A0A087YHY2_POEFO Loading...

NBR1 autophagy cargo receptor a

AlphaFold DB , UniProt , Accession A0A087YHY2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 966 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
1M47.6Very low80.8Confident240 Ų24057.3 Ų57.3100%1.18233%0.328SS*.  0115.50-62.8-66-98.200107.7
2G58.6Low81.4Confident63 Ų6368.7 Ų68.765%0.64936%0.362SS*.PPolyproline II helixtrans-71.4150.7175.600000111.6
3L68.1Low81.7Confident127 Ų12767.9 Ų67.967%0.66538%0.381SS*.PPolyproline II helixtrans-74.1135.7170.1-74.3171.7000109.4V5 N76L3-V5 PolarHBondContact O-N 3.24Å; L3-N76 PolarHBondContact O-ND2 2.94Å
4P79.3Confident82.2Confident53 Ų5370.3 Ų70.334%0.34439%0.392SS..PPolyproline II helixtrans-67.9131.4-172.228.9-36.6000111.6L19 A20P4-L19 HydrophobicContact CB-CD1 3.86Å; P4-L19 HydrophobicContact CB-CD2 4.24Å; P4-L19 HydrophobicContact CB-CG 3.94Å; P4-L19 HydrophobicContact CG-CD1 4.19Å; P4-L19 HydrophobicContact CG-CD2 4.37Å; P4-L19 HydrophobicContact CG-CG 4.48Å; P4-A20 VanDerWaalsContact CA-O 3.3Å; P4-A20 WeakPolarHBondContact CA-O 3.17Å; P4-A20 WeakPolarHBondContact CB-O 3.26Å
5V85.6Confident82.8Confident0 Ų071.1 Ų71.10%040%0.399CS..EExtended strand (participates in β ladder)trans-85.7124.5-175.4175.70000110.6L3 I7 A20 V23 I68 A71 E72 N76 L78L3-V5 PolarHBondContact O-N 3.24Å; V5-I7 HydrophobicContact CG1-CG1 4.23Å; V5-I7 PolarHBondContact O-N 2.79Å; V5-A20 HydrophobicContact CB-CB 4.47Å; V5-A20 PolarHBondContact N-O 3.18Å; V5-A20 WeakPolarHBondContact O-CB 3.47Å; V5-A20 PolarHBondContact O-N 3.35Å; V5-V23 HydrophobicContact CG2-CG2 4.28Å; V5-I68 HydrophobicContact CG1-CD1 4.12Å; V5-I68 HydrophobicContact CG2-CG2 4.14Å; V5-A71 HydrophobicContact CG1-CB 3.86Å; V5-E72 HydrophobicContact CG2-CG 3.95Å; V5-N76 HydrophobicContact CG2-CB 4.23Å; V5-L78 HydrophobicContact CG1-CB 4.18Å
6T88.6Confident83.3Confident44 Ų4472.1 Ų72.127%0.2740%0.398SS..EExtended strand (participates in β ladder)trans-84.5109176.1-62.80000109.8K8 L19 N76 Q77 L78T6-K8 HydrophobicContact CG2-CG 4.33Å; T6-L19 WeakPolarHBondContact OG1-CD1 3.38Å; T6-N76 PolarHBondContact N-O 3.33Å; T6-Q77 WeakPolarHBondContact O-CA 3.2Å; T6-L78 PolarHBondContact O-N 2.85Å
7I90.6Very high83.7Confident0 Ų078.6 Ų78.60%042%0.415CS..EExtended strand (participates in β ladder)trans-94.8118.4-178.8-54.3-178.8000108.9V5 V9 R17 F18 A20 Y64 I68 L78 M80V5-I7 HydrophobicContact CG1-CG1 4.23Å; V5-I7 PolarHBondContact O-N 2.79Å; I7-V9 HydrophobicContact CG2-CG2 4Å; I7-R17 CarbonylContact O-C 3.41Å; I7-R17 VanDerWaalsContact O-CA 3.28Å; I7-R17 WeakPolarHBondContact O-CA 3.48Å; I7-F18 HydrophobicContact CB-CD1 4.08Å; I7-F18 HydrophobicContact CB-CE1 3.69Å; I7-F18 HydrophobicContact CB-CE2 4.21Å; I7-F18 HydrophobicContact CB-CZ 3.75Å; I7-F18 HydrophobicContact CD1-CE1 4.42Å; I7-F18 HydrophobicContact CD1-CE2 3.71Å; I7-F18 HydrophobicContact CD1-CZ 3.6Å; I7-F18 HydrophobicContact CG1-CE2 4.36Å; I7-F18 HydrophobicContact CG1-CZ 4.2Å; I7-F18 HydrophobicContact CG2-CD1 4.33Å; I7-F18 HydrophobicContact CG2-CE1 3.55Å; I7-F18 HydrophobicContact CG2-CZ 3.75Å; I7-F18 PolarHBondContact N-O 3.43Å; I7-F18 PolarHBondContact O-N 3.45Å; I7-A20 HydrophobicContact CD1-CB 4.05Å; I7-Y64 HydrophobicContact CD1-CE2 4.29Å; I7-Y64 WeakPolarHBondContact CD1-OH 3.49Å; I7-I68 HydrophobicContact CD1-CD1 3.67Å; I7-I68 HydrophobicContact CG1-CD1 4.27Å; I7-L78 HydrophobicContact CD1-CD2 4.45Å; I7-L78 HydrophobicContact CG1-CB 4.17Å; I7-L78 HydrophobicContact CG1-CD2 4.38Å; I7-L78 HydrophobicContact CG2-CB 4.41Å; I7-L78 HydrophobicContact CG2-CD2 4.34Å; I7-L78 HydrophobicContact CG2-CG 4.49Å; I7-M80 HydrophobicContact CG2-CE 4.46Å; I7-M80 HydrophobicContact CG2-CG 4.47Å; I7-M80 HydrophobicContact CG2-SD 3.46Å; I7-M80 WeakPolarHBondContact CG2-SD 3.31Å
8K91.9Very high83.9Confident35 Ų3576.1 Ų76.115%0.15240%0.4CS..EExtended strand (participates in β ladder)trans-107.7110.8179.9-55.1179.7-159.9159.40109.1T6 R17 L78 H79 M80T6-K8 HydrophobicContact CG2-CG 4.33Å; K8-R17 HydrophobicContact CG-CG 4.18Å; K8-L78 PolarHBondContact N-O 3.3Å; K8-H79 PolarHBondContact NZ-NE2 2.86Å; K8-M80 PolarHBondContact O-N 3.4Å
9V92.9Very high83.8Confident0 Ų076.2 Ų76.20%040%0.401CS..EExtended strand (participates in β ladder)trans-106.7119-176.7-170.30000110.2I7 V15 K16 F18 W34 I35 F39 M80 V82I7-V9 HydrophobicContact CG2-CG2 4Å; V9-V15 WeakPolarHBondContact O-CA 3.38Å; V9-K16 PolarHBondContact N-O 3.03Å; V9-K16 PolarHBondContact O-N 3.1Å; V9-F18 HydrophobicContact CG2-CD1 4.47Å; V9-F18 HydrophobicContact CG2-CE1 3.92Å; V9-W34 HydrophobicContact CB-CZ3 4.23Å; V9-W34 HydrophobicContact CG2-CZ3 3.9Å; V9-I35 HydrophobicContact CG1-CD1 4.07Å; V9-I35 HydrophobicContact CG1-CG1 4.17Å; V9-I35 HydrophobicContact CG2-CD1 4.47Å; V9-F39 HydrophobicContact CB-CE2 4.16Å; V9-F39 HydrophobicContact CB-CZ 4.42Å; V9-F39 HydrophobicContact CG1-CE2 3.74Å; V9-F39 HydrophobicContact CG1-CZ 4.27Å; V9-M80 HydrophobicContact CG1-CB 4.41Å; V9-M80 HydrophobicContact CG2-CB 4.29Å; V9-M80 HydrophobicContact CG2-SD 3.93Å; V9-V82 HydrophobicContact CG1-CG2 3.31Å
10N92.9Very high83.4Confident48 Ų4872.4 Ų72.426%0.25738%0.381SS..EExtended strand (participates in β ladder)trans-104.5118.3179.217419.9000111.1G13 V15 M80 N81 V82N10-G13 WeakPolarHBondContact OD1-CA 3.36Å; N10-G13 PolarHBondContact OD1-N 3.49Å; N10-V15 HydrophobicContact CB-CG2 4.13Å; N10-M80 PolarHBondContact N-O 2.92Å; N10-N81 PolarHBondContact ND2-OD1 3.49Å; N10-V82 PolarHBondContact O-N 3.07Å
11F92.8Very high82.5Confident20 Ų2076.2 Ų76.29%0.08840%0.397CS..EExtended strand (participates in β ladder)trans-119104.1170.1-179.2-113000110.8G13 N14 F39 I41 V82 K84F11-G13 PolarHBondContact O-N 2.74Å; F11-N14 PolarHBondContact N-O 2.96Å; F11-N14 WeakPolarHBondContact O-CB 3.34Å; F11-N14 PolarHBondContact O-N 2.78Å; F11-N14 PolarHBondContact O-ND2 3.09Å; F11-F39 HydrophobicContact CB-CB 4.46Å; F11-F39 HydrophobicContact CB-CD1 3.53Å; F11-F39 HydrophobicContact CB-CD2 4.26Å; F11-F39 HydrophobicContact CB-CE1 3.65Å; F11-F39 HydrophobicContact CB-CE2 4.36Å; F11-F39 HydrophobicContact CB-CG 3.84Å; F11-F39 HydrophobicContact CB-CZ 4.05Å; F11-F39 HydrophobicContact CD1-CB 3.99Å; F11-F39 AromaticContact CD1-CD1 3.93Å; F11-F39 HydrophobicContact CD1-CD1 3.93Å; F11-F39 HydrophobicContact CD1-CG 4.18Å; F11-F39 HydrophobicContact CG-CB 4.28Å; F11-F39 HydrophobicContact CG-CD1 4.09Å; F11-F39 HydrophobicContact CG-CG 4.19Å; F11-I41 HydrophobicContact CD2-CD1 4.06Å; F11-I41 HydrophobicContact CE1-CG2 4.23Å; F11-I41 HydrophobicContact CE2-CD1 4.07Å; F11-I41 HydrophobicContact CE2-CG2 4.42Å; F11-I41 HydrophobicContact CG-CD1 4.42Å; F11-I41 HydrophobicContact CZ-CD1 4.42Å; F11-I41 HydrophobicContact CZ-CG2 3.88Å; F11-V82 HydrophobicContact CB-CB 4.37Å; F11-V82 HydrophobicContact CD2-CB 4.03Å; F11-V82 HydrophobicContact CD2-CG1 4.07Å; F11-V82 WeakPolarHBondContact CD2-O 3.44Å; F11-K84 HydrophobicContact CE2-CB 3.67Å; F11-K84 HydrophobicContact CZ-CB 3.81Å; F11-K84 HydrophobicContact CZ-CD 4.42Å
12R87.7Confident83.1Confident194 Ų19468.5 Ų68.573%0.73236%0.36SS*.THydrogen-bonded Turntrans54.235.7178.1-58.6180166.7-154.8-5.7113.9
13G86.2Confident83Confident59 Ų5967.4 Ų67.461%0.60834%0.341SS*.THydrogen-bonded Turntrans94-14.8-176.700000114.3N10 F11 V15N10-G13 WeakPolarHBondContact OD1-CA 3.36Å; N10-G13 PolarHBondContact OD1-N 3.49Å; F11-G13 PolarHBondContact O-N 2.74Å; G13-V15 PolarHBondContact O-N 2.88Å
14N87.8Confident82.2Confident101 Ų10168.7 Ų68.754%0.5435%0.348SS..EExtended strand (participates in β ladder)trans-78.7103.2170.6-55.9-80.2000108.7F11 F39F11-N14 PolarHBondContact N-O 2.96Å; F11-N14 WeakPolarHBondContact O-CB 3.34Å; F11-N14 PolarHBondContact O-N 2.78Å; F11-N14 PolarHBondContact O-ND2 3.09Å; N14-F39 HydrophobicContact CB-CD1 4.48Å; N14-F39 HydrophobicContact CB-CE1 3.99Å; N14-F39 WeakPolarHBondContact O-CE1 3.31Å
15V91.4Very high81.1Confident83 Ų8372.8 Ų72.850%0.50336%0.361SS..EExtended strand (participates in β ladder)trans-95.1116.4176.8-174.90000109.7V9 N10 G13V9-V15 WeakPolarHBondContact O-CA 3.38Å; N10-V15 HydrophobicContact CB-CG2 4.13Å; G13-V15 PolarHBondContact O-N 2.88Å
16K90.9Very high80.4Confident87 Ų8774.9 Ų74.938%0.37837%0.371SS..EExtended strand (participates in β ladder)trans-105.7155.5166.1-70.8-179.5152.3-173.40109.9V9 W34 S38 F39V9-K16 PolarHBondContact N-O 3.03Å; V9-K16 PolarHBondContact O-N 3.1Å; K16-W34 HydrophobicContact CB-CH2 3.63Å; K16-W34 HydrophobicContact CB-CZ2 4.4Å; K16-W34 HydrophobicContact CB-CZ3 4.42Å; K16-W34 HydrophobicContact CD-CH2 4.44Å; K16-S38 PolarHBondContact NZ-O 3.1Å; K16-S38 PolarHBondContact NZ-OG 2.9Å; K16-F39 HydrophobicContact CB-CE1 4.48Å; K16-F39 HydrophobicContact CB-CZ 3.82Å; K16-F39 HydrophobicContact CD-CE1 3.9Å; K16-F39 HydrophobicContact CD-CE2 4.31Å; K16-F39 HydrophobicContact CD-CZ 3.81Å; K16-F39 HydrophobicContact CG-CE1 4Å; K16-F39 HydrophobicContact CG-CZ 3.84Å
17R89.8Confident80Confident182 Ų18277.8 Ų77.869%0.68738%0.382SS*.EExtended strand (participates in β ladder)trans-131.3144.2179-44.6-178.1-155.6179.98109.1I7 K8I7-R17 CarbonylContact O-C 3.41Å; I7-R17 VanDerWaalsContact O-CA 3.28Å; I7-R17 WeakPolarHBondContact O-CA 3.48Å; K8-R17 HydrophobicContact CG-CG 4.18Å
18F87.1Confident79.9Confident34 Ų3478.8 Ų78.815%0.14939%0.386CS..EExtended strand (participates in β ladder)trans-141.1161166.568.4-80.1000109.8I7 V9 L26 V31 W34I7-F18 HydrophobicContact CB-CD1 4.08Å; I7-F18 HydrophobicContact CB-CE1 3.69Å; I7-F18 HydrophobicContact CB-CE2 4.21Å; I7-F18 HydrophobicContact CB-CZ 3.75Å; I7-F18 HydrophobicContact CD1-CE1 4.42Å; I7-F18 HydrophobicContact CD1-CE2 3.71Å; I7-F18 HydrophobicContact CD1-CZ 3.6Å; I7-F18 HydrophobicContact CG1-CE2 4.36Å; I7-F18 HydrophobicContact CG1-CZ 4.2Å; I7-F18 HydrophobicContact CG2-CD1 4.33Å; I7-F18 HydrophobicContact CG2-CE1 3.55Å; I7-F18 HydrophobicContact CG2-CZ 3.75Å; I7-F18 PolarHBondContact N-O 3.43Å; I7-F18 PolarHBondContact O-N 3.45Å; V9-F18 HydrophobicContact CG2-CD1 4.47Å; V9-F18 HydrophobicContact CG2-CE1 3.92Å; F18-L26 HydrophobicContact CE2-CD2 3.81Å; F18-V31 HydrophobicContact CE2-CG2 4.29Å; F18-V31 HydrophobicContact CZ-CB 4.49Å; F18-V31 HydrophobicContact CZ-CG1 3.92Å; F18-V31 HydrophobicContact CZ-CG2 3.98Å; F18-W34 HydrophobicContact CB-CH2 4.34Å; F18-W34 HydrophobicContact CB-CZ2 3.86Å; F18-W34 HydrophobicContact CD1-CD2 4.02Å; F18-W34 AromaticContact CD1-CE3 3.77Å; F18-W34 HydrophobicContact CD1-CE3 3.77Å; F18-W34 AromaticContact CD1-CH2 3.48Å; F18-W34 HydrophobicContact CD1-CH2 3.48Å; F18-W34 VanDerWaalsContact CD1-CH2 3.48Å; F18-W34 AromaticContact CD1-CZ2 3.76Å; F18-W34 HydrophobicContact CD1-CZ2 3.76Å; F18-W34 AromaticContact CD1-CZ3 3.51Å; F18-W34 HydrophobicContact CD1-CZ3 3.51Å; F18-W34 HydrophobicContact CE1-CD2 4.28Å; F18-W34 AromaticContact CE1-CE3 3.77Å; F18-W34 HydrophobicContact CE1-CE3 3.77Å; F18-W34 HydrophobicContact CE1-CH2 4.2Å; F18-W34 AromaticContact CE1-CZ3 3.74Å; F18-W34 HydrophobicContact CE1-CZ3 3.74Å; F18-W34 HydrophobicContact CG-CD2 4.47Å; F18-W34 HydrophobicContact CG-CH2 4.29Å; F18-W34 HydrophobicContact CG-CZ2 4.13Å
19L81.8Confident79.6Confident78 Ų7884.6 Ų84.641%0.40841%0.413SS..EExtended strand (participates in β ladder)trans-108.6115.4-176.5-171.269.3000108.7P4 T6 Q21P4-L19 HydrophobicContact CB-CD1 3.86Å; P4-L19 HydrophobicContact CB-CD2 4.24Å; P4-L19 HydrophobicContact CB-CG 3.94Å; P4-L19 HydrophobicContact CG-CD1 4.19Å; P4-L19 HydrophobicContact CG-CD2 4.37Å; P4-L19 HydrophobicContact CG-CG 4.48Å; T6-L19 WeakPolarHBondContact OG1-CD1 3.38Å; L19-Q21 HydrophobicContact CB-CG 4.5Å; L19-Q21 HydrophobicContact CD2-CG 3.79Å; L19-Q21 HydrophobicContact CG-CG 3.99Å; L19-Q21 PolarHBondContact O-N 2.83Å; L19-Q21 VanDerWaalsContact O-N 3.11Å
20A77.5Confident79.3Confident0 Ų088 Ų880%044%0.437CS..EExtended strand (participates in β ladder)trans-75.695.1169.800000108.3P4 V5 I7 V23 L26P4-A20 VanDerWaalsContact CA-O 3.3Å; P4-A20 WeakPolarHBondContact CA-O 3.17Å; P4-A20 WeakPolarHBondContact CB-O 3.26Å; V5-A20 HydrophobicContact CB-CB 4.47Å; V5-A20 PolarHBondContact N-O 3.18Å; V5-A20 WeakPolarHBondContact O-CB 3.47Å; V5-A20 PolarHBondContact O-N 3.35Å; I7-A20 HydrophobicContact CD1-CB 4.05Å; A20-V23 HydrophobicContact CB-CG2 4.48Å; A20-L26 HydrophobicContact CB-CD2 3.9Å
21Q63.3Low79.1Confident153 Ų15385.8 Ų85.872%0.71543%0.425SS*.SBendtrans-79.6-45.3-178.8-72.1-176.8-33.900112.2L19L19-Q21 HydrophobicContact CB-CG 4.5Å; L19-Q21 HydrophobicContact CD2-CG 3.79Å; L19-Q21 HydrophobicContact CG-CG 3.99Å; L19-Q21 PolarHBondContact O-N 2.83Å; L19-Q21 VanDerWaalsContact O-N 3.11Å
22D61.2Low78.9Confident77 Ų7787.4 Ų87.441%0.41243%0.433SS..  trans-99.999.3164.7-84.9-40000108.5D24 K25D22-D24 VanDerWaalsContact C-N 3.32Å; D22-K25 HydrophobicContact CB-CB 4.01Å; D22-K25 HydrophobicContact CB-CD 4.08Å; D22-K25 HydrophobicContact CB-CG 4.12Å; D22-K25 IonicContact OD1-NZ 2.76Å; D22-K25 PolarHBondContact OD1-NZ 2.93Å; D22-K25 WeakPolarHBondContact OD2-CD 3.34Å; D22-K25 IonicContact OD2-NZ 2.9Å; D22-K25 PolarHBondContact OD2-NZ 3.3Å
23V56.7Low78.9Confident41 Ų4180.5 Ų80.525%0.24842%0.418CS..G310 helixtrans-62.7-43.4172.91650000110.2V5 A20 K25 L26 I68V5-V23 HydrophobicContact CG2-CG2 4.28Å; A20-V23 HydrophobicContact CB-CG2 4.48Å; V23-K25 PolarHBondContact O-N 2.79Å; V23-L26 PolarHBondContact O-N 3.17Å; V23-I68 HydrophobicContact CG1-CG2 3.71Å; V23-I68 HydrophobicContact CG2-CG2 4.21Å
24D51.5Low79.1Confident154 Ų15481.4 Ų81.482%0.82440%0.403SS*.G310 helixtrans-72.99.9-176.1-49.3-60.1000114.8D22D22-D24 VanDerWaalsContact C-N 3.32Å
25K56Low79.2Confident139 Ų13976.6 Ų76.660%0.60438%0.377SS*.G310 helixtrans-138.2-1.6179.3-55.1179.7-161.2141.10114.5D22 V23 E27D22-K25 HydrophobicContact CB-CB 4.01Å; D22-K25 HydrophobicContact CB-CD 4.08Å; D22-K25 HydrophobicContact CB-CG 4.12Å; D22-K25 IonicContact OD1-NZ 2.76Å; D22-K25 PolarHBondContact OD1-NZ 2.93Å; D22-K25 WeakPolarHBondContact OD2-CD 3.34Å; D22-K25 IonicContact OD2-NZ 2.9Å; D22-K25 PolarHBondContact OD2-NZ 3.3Å; V23-K25 PolarHBondContact O-N 2.79Å; K25-E27 PolarHBondContact O-N 3.26Å; K25-E27 VanDerWaalsContact O-N 3.16Å
26L69.3Low79.2Confident43 Ų4376.3 Ų76.323%0.22537%0.369CS..  trans-86.884.1178.7-116.271.8000110.2F18 A20 V23 V31 Y64F18-L26 HydrophobicContact CE2-CD2 3.81Å; A20-L26 HydrophobicContact CB-CD2 3.9Å; V23-L26 PolarHBondContact O-N 3.17Å; L26-V31 HydrophobicContact CD2-CG2 4.14Å; L26-Y64 WeakPolarHBondContact O-CE1 3.4Å
27E80.8Confident79.1Confident105 Ų10576.3 Ų76.349%0.49139%0.386SS..  trans-55.9140.9168.2-71.4-61.4157.700111.3K25 E29 S30 V31K25-E27 PolarHBondContact O-N 3.26Å; K25-E27 VanDerWaalsContact O-N 3.16Å; E27-E29 PolarHBondContact O-N 2.78Å; E27-E29 VanDerWaalsContact O-N 3.14Å; E27-S30 WeakPolarHBondContact O-CB 3.49Å; E27-S30 PolarHBondContact O-N 3.13Å; E27-V31 PolarHBondContact O-N 2.85Å
28W88.4Confident79.1Confident22 Ų2268.8 Ų68.88%0.08336%0.361CS..Hα-helixtrans-50.8-39.6176.2168.7-105.5000111.8S30 V31 E32 V46 I58 Y64 M80W28-S30 PolarHBondContact O-N 3.4Å; W28-V31 HydrophobicContact CE3-CB 4.32Å; W28-V31 HydrophobicContact CE3-CG1 4.39Å; W28-V31 HydrophobicContact CZ3-CB 4.49Å; W28-V31 HydrophobicContact CZ3-CG1 4.08Å; W28-V31 CarbonylContact O-C 3.58Å; W28-V31 PolarHBondContact O-N 3.05Å; W28-E32 HydrophobicContact CZ2-CB 4.28Å; W28-E32 HydrophobicContact CZ2-CG 4.3Å; W28-E32 PolarHBondContact NE1-OE2 3.3Å; W28-E32 WeakPolarHBondContact O-CB 3.34Å; W28-E32 PolarHBondContact O-N 3.32Å; W28-V46 HydrophobicContact CH2-CB 3.82Å; W28-V46 HydrophobicContact CH2-CG1 4.27Å; W28-V46 HydrophobicContact CH2-CG2 3.7Å; W28-V46 HydrophobicContact CZ2-CG2 4.21Å; W28-I58 HydrophobicContact CD2-CG2 3.95Å; W28-I58 HydrophobicContact CE3-CG2 3.68Å; W28-I58 HydrophobicContact CH2-CB 4Å; W28-I58 HydrophobicContact CH2-CG2 3.77Å; W28-I58 HydrophobicContact CZ2-CB 4.47Å; W28-I58 HydrophobicContact CZ2-CG2 4.06Å; W28-I58 HydrophobicContact CZ3-CB 4.13Å; W28-I58 HydrophobicContact CZ3-CD1 4.08Å; W28-I58 HydrophobicContact CZ3-CG2 3.59Å; W28-Y64 HydrophobicContact CB-CG 4.49Å; W28-Y64 AromaticContact CE3-CD2 3.65Å; W28-Y64 HydrophobicContact CE3-CD2 3.65Å; W28-Y64 HydrophobicContact CE3-CE2 4.48Å; W28-Y64 AromaticContact CE3-CG 3.84Å; W28-Y64 HydrophobicContact CE3-CG 3.84Å; W28-Y64 AromaticContact CZ3-CD2 3.99Å; W28-Y64 HydrophobicContact CZ3-CD2 3.99Å; W28-M80 HydrophobicContact CZ3-CE 3.97Å
29E85.9Confident79.3Confident156 Ų15668.6 Ų68.673%0.72936%0.36SS*.Hα-helixtrans-57.3-35.3177.7-59.3-16515600112.9E27 A33E27-E29 PolarHBondContact O-N 2.78Å; E27-E29 VanDerWaalsContact O-N 3.14Å; E29-A33 WeakPolarHBondContact O-CB 3.43Å; E29-A33 PolarHBondContact O-N 3.29Å
30S87.1Confident79.6Confident72 Ų7267.7 Ų67.750%0.50337%0.37SS..Hα-helixtrans-71.2-38.2176.9-66.30000111.7E27 W28 W34E27-S30 WeakPolarHBondContact O-CB 3.49Å; E27-S30 PolarHBondContact O-N 3.13Å; W28-S30 PolarHBondContact O-N 3.4Å; S30-W34 WeakPolarHBondContact O-CB 3.4Å; S30-W34 PolarHBondContact O-N 3.3Å
31V87.3Confident80.2Confident1 Ų167.8 Ų67.81%0.00637%0.37CS..Hα-helixtrans-68.2-42.9173.5176.60000110.6F18 L26 E27 W28 W34 I35 Y64 M80F18-V31 HydrophobicContact CE2-CG2 4.29Å; F18-V31 HydrophobicContact CZ-CB 4.49Å; F18-V31 HydrophobicContact CZ-CG1 3.92Å; F18-V31 HydrophobicContact CZ-CG2 3.98Å; L26-V31 HydrophobicContact CD2-CG2 4.14Å; E27-V31 PolarHBondContact O-N 2.85Å; W28-V31 HydrophobicContact CE3-CB 4.32Å; W28-V31 HydrophobicContact CE3-CG1 4.39Å; W28-V31 HydrophobicContact CZ3-CB 4.49Å; W28-V31 HydrophobicContact CZ3-CG1 4.08Å; W28-V31 CarbonylContact O-C 3.58Å; W28-V31 PolarHBondContact O-N 3.05Å; V31-W34 PolarHBondContact O-N 2.71Å; V31-I35 HydrophobicContact CG1-CD1 4.03Å; V31-I35 VanDerWaalsContact O-CG1 3.28Å; V31-I35 WeakPolarHBondContact O-CG1 3.45Å; V31-I35 PolarHBondContact O-N 2.62Å; V31-Y64 HydrophobicContact CG1-CE2 4.45Å; V31-Y64 HydrophobicContact CG2-CE2 3.95Å; V31-M80 HydrophobicContact CG1-CE 4.4Å
32E88.8Confident81.2Confident54 Ų5467.6 Ų67.625%0.25237%0.374SS..Hα-helixtrans-63.9-43176.9-159.9-173.7125.700111.2W28 I35 K36 F44W28-E32 HydrophobicContact CZ2-CB 4.28Å; W28-E32 HydrophobicContact CZ2-CG 4.3Å; W28-E32 PolarHBondContact NE1-OE2 3.3Å; W28-E32 WeakPolarHBondContact O-CB 3.34Å; W28-E32 PolarHBondContact O-N 3.32Å; E32-I35 PolarHBondContact O-N 2.85Å; E32-K36 WeakPolarHBondContact O-CB 3.49Å; E32-K36 VanDerWaalsContact O-CG 3.26Å; E32-K36 WeakPolarHBondContact O-CG 3.44Å; E32-K36 PolarHBondContact O-N 3.43Å; E32-K36 WeakPolarHBondContact OE1-CE 3.42Å; E32-K36 IonicContact OE1-NZ 2.63Å; E32-K36 PolarHBondContact OE1-NZ 2.91Å; E32-F44 HydrophobicContact CG-CE2 3.89Å; E32-F44 HydrophobicContact CG-CZ 3.55Å
33A88.6Confident82.4Confident50 Ų5068.4 Ų68.441%0.41338%0.375SS..Hα-helixtrans-61.9-42172.900000112.3E29 I35 K36 A37E29-A33 WeakPolarHBondContact O-CB 3.43Å; E29-A33 PolarHBondContact O-N 3.29Å; A33-I35 VanDerWaalsContact C-N 3.34Å; A33-I35 PolarHBondContact O-N 3Å; A33-K36 WeakPolarHBondContact O-CB 3.39Å; A33-K36 PolarHBondContact O-N 3.33Å; A33-A37 WeakPolarHBondContact O-CB 3.47Å; A33-A37 PolarHBondContact O-N 3.08Å
34W89.6Confident84.2Confident78 Ų7867.6 Ų67.630%0.29537%0.368SS..Hα-helixtrans-63.6-38.2174.6-175.794000112V9 K16 F18 S30 V31 S38 F39V9-W34 HydrophobicContact CB-CZ3 4.23Å; V9-W34 HydrophobicContact CG2-CZ3 3.9Å; K16-W34 HydrophobicContact CB-CH2 3.63Å; K16-W34 HydrophobicContact CB-CZ2 4.4Å; K16-W34 HydrophobicContact CB-CZ3 4.42Å; K16-W34 HydrophobicContact CD-CH2 4.44Å; F18-W34 HydrophobicContact CB-CH2 4.34Å; F18-W34 HydrophobicContact CB-CZ2 3.86Å; F18-W34 HydrophobicContact CD1-CD2 4.02Å; F18-W34 AromaticContact CD1-CE3 3.77Å; F18-W34 HydrophobicContact CD1-CE3 3.77Å; F18-W34 AromaticContact CD1-CH2 3.48Å; F18-W34 HydrophobicContact CD1-CH2 3.48Å; F18-W34 VanDerWaalsContact CD1-CH2 3.48Å; F18-W34 AromaticContact CD1-CZ2 3.76Å; F18-W34 HydrophobicContact CD1-CZ2 3.76Å; F18-W34 AromaticContact CD1-CZ3 3.51Å; F18-W34 HydrophobicContact CD1-CZ3 3.51Å; F18-W34 HydrophobicContact CE1-CD2 4.28Å; F18-W34 AromaticContact CE1-CE3 3.77Å; F18-W34 HydrophobicContact CE1-CE3 3.77Å; F18-W34 HydrophobicContact CE1-CH2 4.2Å; F18-W34 AromaticContact CE1-CZ3 3.74Å; F18-W34 HydrophobicContact CE1-CZ3 3.74Å; F18-W34 HydrophobicContact CG-CD2 4.47Å; F18-W34 HydrophobicContact CG-CH2 4.29Å; F18-W34 HydrophobicContact CG-CZ2 4.13Å; S30-W34 WeakPolarHBondContact O-CB 3.4Å; S30-W34 PolarHBondContact O-N 3.3Å; V31-W34 PolarHBondContact O-N 2.71Å; W34-S38 WeakPolarHBondContact O-CA 3.49Å; W34-S38 WeakPolarHBondContact O-CB 3.31Å; W34-S38 PolarHBondContact O-N 3.09Å; W34-S38 PolarHBondContact O-OG 2.72Å; W34-S38 VanDerWaalsContact O-OG 3.13Å; W34-F39 HydrophobicContact CZ3-CE2 4.49Å
35I90.8Very high86.2Confident0 Ų063.6 Ų63.60%035%0.345CS..Hα-helixtrans-67.9-43.9174.7-68.4173.5000111V9 V31 E32 A33 A37 S38 F39 I41 F44 V46 V82V9-I35 HydrophobicContact CG1-CD1 4.07Å; V9-I35 HydrophobicContact CG1-CG1 4.17Å; V9-I35 HydrophobicContact CG2-CD1 4.47Å; V31-I35 HydrophobicContact CG1-CD1 4.03Å; V31-I35 VanDerWaalsContact O-CG1 3.28Å; V31-I35 WeakPolarHBondContact O-CG1 3.45Å; V31-I35 PolarHBondContact O-N 2.62Å; E32-I35 PolarHBondContact O-N 2.85Å; A33-I35 VanDerWaalsContact C-N 3.34Å; A33-I35 PolarHBondContact O-N 3Å; I35-A37 PolarHBondContact O-N 3.28Å; I35-S38 PolarHBondContact O-N 3.45Å; I35-F39 HydrophobicContact CG2-CD2 4.08Å; I35-F39 PolarHBondContact O-N 3.4Å; I35-I41 HydrophobicContact CG2-CD1 4.14Å; I35-F44 HydrophobicContact CB-CE2 4.27Å; I35-F44 HydrophobicContact CB-CZ 3.86Å; I35-F44 HydrophobicContact CG2-CD1 4.48Å; I35-F44 HydrophobicContact CG2-CD2 4.27Å; I35-F44 HydrophobicContact CG2-CE1 3.88Å; I35-F44 HydrophobicContact CG2-CE2 3.65Å; I35-F44 HydrophobicContact CG2-CZ 3.42Å; I35-F44 VanDerWaalsContact CG2-CZ 3.42Å; I35-V46 HydrophobicContact CD1-CG2 3.95Å; I35-V82 HydrophobicContact CD1-CG2 4.36Å; I35-V82 HydrophobicContact CG2-CG1 4.16Å; I35-V82 HydrophobicContact CG2-CG2 4.19Å
36K91.3Very high88Confident76 Ų7657 Ų5733%0.3332%0.316SS..Hα-helixtrans-53.7-54.6174.1-74.6166.6-178.4162.70110.7E32 A33 G40 I41 F44E32-K36 WeakPolarHBondContact O-CB 3.49Å; E32-K36 VanDerWaalsContact O-CG 3.26Å; E32-K36 WeakPolarHBondContact O-CG 3.44Å; E32-K36 PolarHBondContact O-N 3.43Å; E32-K36 WeakPolarHBondContact OE1-CE 3.42Å; E32-K36 IonicContact OE1-NZ 2.63Å; E32-K36 PolarHBondContact OE1-NZ 2.91Å; A33-K36 WeakPolarHBondContact O-CB 3.39Å; A33-K36 PolarHBondContact O-N 3.33Å; K36-G40 WeakPolarHBondContact O-CA 3.47Å; K36-G40 PolarHBondContact O-N 3.03Å; K36-I41 WeakPolarHBondContact CG-O 3.48Å; K36-I41 PolarHBondContact O-N 2.89Å; K36-F44 HydrophobicContact CG-CE1 3.63Å; K36-F44 HydrophobicContact CG-CZ 4.06Å
37A88.9Confident89.2Confident88 Ų8857.2 Ų57.273%0.72732%0.315SS*.Hα-helixtrans-66-39.2178.600000112.7A33 I35A33-A37 WeakPolarHBondContact O-CB 3.47Å; A33-A37 PolarHBondContact O-N 3.08Å; I35-A37 PolarHBondContact O-N 3.28Å
38S89.8Confident89.8Confident23 Ų2352.4 Ų52.416%0.16129%0.293CS..Hα-helixtrans-71.2-30.5-176-88.80000114.8K16 W34 I35K16-S38 PolarHBondContact NZ-O 3.1Å; K16-S38 PolarHBondContact NZ-OG 2.9Å; W34-S38 WeakPolarHBondContact O-CA 3.49Å; W34-S38 WeakPolarHBondContact O-CB 3.31Å; W34-S38 PolarHBondContact O-N 3.09Å; W34-S38 PolarHBondContact O-OG 2.72Å; W34-S38 VanDerWaalsContact O-OG 3.13Å; I35-S38 PolarHBondContact O-N 3.45Å
39F90.1Very high89.8Confident30 Ų3054.4 Ų54.413%0.13230%0.302CS..Hα-helixtrans-124.11.1-172.5-62-73.5000114.2V9 F11 N14 K16 W34 I35 I41V9-F39 HydrophobicContact CB-CE2 4.16Å; V9-F39 HydrophobicContact CB-CZ 4.42Å; V9-F39 HydrophobicContact CG1-CE2 3.74Å; V9-F39 HydrophobicContact CG1-CZ 4.27Å; F11-F39 HydrophobicContact CB-CB 4.46Å; F11-F39 HydrophobicContact CB-CD1 3.53Å; F11-F39 HydrophobicContact CB-CD2 4.26Å; F11-F39 HydrophobicContact CB-CE1 3.65Å; F11-F39 HydrophobicContact CB-CE2 4.36Å; F11-F39 HydrophobicContact CB-CG 3.84Å; F11-F39 HydrophobicContact CB-CZ 4.05Å; F11-F39 HydrophobicContact CD1-CB 3.99Å; F11-F39 AromaticContact CD1-CD1 3.93Å; F11-F39 HydrophobicContact CD1-CD1 3.93Å; F11-F39 HydrophobicContact CD1-CG 4.18Å; F11-F39 HydrophobicContact CG-CB 4.28Å; F11-F39 HydrophobicContact CG-CD1 4.09Å; F11-F39 HydrophobicContact CG-CG 4.19Å; N14-F39 HydrophobicContact CB-CD1 4.48Å; N14-F39 HydrophobicContact CB-CE1 3.99Å; N14-F39 WeakPolarHBondContact O-CE1 3.31Å; K16-F39 HydrophobicContact CB-CE1 4.48Å; K16-F39 HydrophobicContact CB-CZ 3.82Å; K16-F39 HydrophobicContact CD-CE1 3.9Å; K16-F39 HydrophobicContact CD-CE2 4.31Å; K16-F39 HydrophobicContact CD-CZ 3.81Å; K16-F39 HydrophobicContact CG-CE1 4Å; K16-F39 HydrophobicContact CG-CZ 3.84Å; W34-F39 HydrophobicContact CZ3-CE2 4.49Å; I35-F39 HydrophobicContact CG2-CD2 4.08Å; I35-F39 PolarHBondContact O-N 3.4Å; F39-I41 HydrophobicContact CB-CD1 3.74Å; F39-I41 HydrophobicContact CB-CG1 3.83Å
40G88.7Confident89.9Confident59 Ų5947.5 Ų47.561%0.60827%0.27SS*.THydrogen-bonded Turntrans65.940.7176.400000113K36K36-G40 WeakPolarHBondContact O-CA 3.47Å; K36-G40 PolarHBondContact O-N 3.03Å
41I89.8Confident89.9Confident2 Ų248.2 Ų48.21%0.0127%0.266CS..  trans-129.5116.6-172.449.3179.9000111.1F11 I35 K36 F39 F44 V82 K84F11-I41 HydrophobicContact CD2-CD1 4.06Å; F11-I41 HydrophobicContact CE1-CG2 4.23Å; F11-I41 HydrophobicContact CE2-CD1 4.07Å; F11-I41 HydrophobicContact CE2-CG2 4.42Å; F11-I41 HydrophobicContact CG-CD1 4.42Å; F11-I41 HydrophobicContact CZ-CD1 4.42Å; F11-I41 HydrophobicContact CZ-CG2 3.88Å; I35-I41 HydrophobicContact CG2-CD1 4.14Å; K36-I41 WeakPolarHBondContact CG-O 3.48Å; K36-I41 PolarHBondContact O-N 2.89Å; F39-I41 HydrophobicContact CB-CD1 3.74Å; F39-I41 HydrophobicContact CB-CG1 3.83Å; I41-F44 HydrophobicContact CB-CD1 4.01Å; I41-F44 HydrophobicContact CD1-CB 4.2Å; I41-F44 HydrophobicContact CD1-CD1 3.67Å; I41-F44 HydrophobicContact CD1-CE1 4.23Å; I41-F44 HydrophobicContact CD1-CG 4.02Å; I41-F44 HydrophobicContact CG1-CD1 3.59Å; I41-F44 HydrophobicContact CG1-CE1 3.92Å; I41-F44 HydrophobicContact CG1-CG 4.42Å; I41-F44 WeakPolarHBondContact O-CD1 3.36Å; I41-F44 VanDerWaalsContact O-CE1 3.28Å; I41-F44 WeakPolarHBondContact O-CE1 3.47Å; I41-V82 HydrophobicContact CD1-CG1 3.64Å; I41-K84 HydrophobicContact CG2-CB 4.38Å; I41-K84 HydrophobicContact CG2-CD 3.86Å; I41-K84 HydrophobicContact CG2-CG 4.24Å
42N83.9Confident89.8Confident149 Ų14950.1 Ų50.180%0.79728%0.276SS*.SBendtrans-86.4-19.9-177.6-61.71.9000113.2
43H88Confident89.5Confident94 Ų9453.5 Ų53.544%0.43530%0.295SS..SBendtrans-144.1120.6-177-177.661.1000110.3M85H43-M85 WeakPolarHBondContact CD2-CB 3.37Å; H43-M85 WeakPolarHBondContact NE2-CB 3.45Å; H43-M85 PolarHBondContact O-N 3.09Å
44F93.7Very high89.3Confident25 Ų2553.2 Ų53.211%0.1129%0.285CS..EExtended strand (participates in β ladder)trans-158.6166.3-175.252.8-95.1000110.5E32 I35 K36 I41 V46 V82 Y83E32-F44 HydrophobicContact CG-CE2 3.89Å; E32-F44 HydrophobicContact CG-CZ 3.55Å; I35-F44 HydrophobicContact CB-CE2 4.27Å; I35-F44 HydrophobicContact CB-CZ 3.86Å; I35-F44 HydrophobicContact CG2-CD1 4.48Å; I35-F44 HydrophobicContact CG2-CD2 4.27Å; I35-F44 HydrophobicContact CG2-CE1 3.88Å; I35-F44 HydrophobicContact CG2-CE2 3.65Å; I35-F44 HydrophobicContact CG2-CZ 3.42Å; I35-F44 VanDerWaalsContact CG2-CZ 3.42Å; K36-F44 HydrophobicContact CG-CE1 3.63Å; K36-F44 HydrophobicContact CG-CZ 4.06Å; I41-F44 HydrophobicContact CB-CD1 4.01Å; I41-F44 HydrophobicContact CD1-CB 4.2Å; I41-F44 HydrophobicContact CD1-CD1 3.67Å; I41-F44 HydrophobicContact CD1-CE1 4.23Å; I41-F44 HydrophobicContact CD1-CG 4.02Å; I41-F44 HydrophobicContact CG1-CD1 3.59Å; I41-F44 HydrophobicContact CG1-CE1 3.92Å; I41-F44 HydrophobicContact CG1-CG 4.42Å; I41-F44 WeakPolarHBondContact O-CD1 3.36Å; I41-F44 VanDerWaalsContact O-CE1 3.28Å; I41-F44 WeakPolarHBondContact O-CE1 3.47Å; F44-V46 HydrophobicContact CD2-CG2 3.57Å; F44-V46 HydrophobicContact CE2-CG2 3.49Å; F44-V46 VanDerWaalsContact CE2-CG2 3.49Å; F44-V82 HydrophobicContact CB-CG1 3.82Å; F44-V82 HydrophobicContact CD2-CG1 3.78Å; F44-V82 HydrophobicContact CG-CG1 3.85Å; F44-Y83 CarbonylContact C-O 3.56Å; F44-Y83 WeakPolarHBondContact CA-O 3.4Å; F44-Y83 VanDerWaalsContact CB-O 3.3Å; F44-Y83 WeakPolarHBondContact CB-O 3.38Å
45Q92.6Very high89.3Confident69 Ų6953 Ų5332%0.32229%0.288SS..EExtended strand (participates in β ladder)trans-110.8139.9162.9-179.4175.868.600108.6K47 Y83 M85Q45-K47 HydrophobicContact CG-CG 4.49Å; Q45-Y83 PolarHBondContact N-O 2.96Å; Q45-Y83 PolarHBondContact O-N 2.8Å; Q45-M85 HydrophobicContact CB-CE 3.65Å
46V94.5Very high89.3Confident2 Ų255.1 Ų55.11%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-105145.2169.9-170.70000108.9W28 I35 F44 C57 I58 M80 V82W28-V46 HydrophobicContact CH2-CB 3.82Å; W28-V46 HydrophobicContact CH2-CG1 4.27Å; W28-V46 HydrophobicContact CH2-CG2 3.7Å; W28-V46 HydrophobicContact CZ2-CG2 4.21Å; I35-V46 HydrophobicContact CD1-CG2 3.95Å; F44-V46 HydrophobicContact CD2-CG2 3.57Å; F44-V46 HydrophobicContact CE2-CG2 3.49Å; F44-V46 VanDerWaalsContact CE2-CG2 3.49Å; V46-C57 WeakPolarHBondContact O-CA 3.16Å; V46-I58 PolarHBondContact O-N 2.89Å; V46-M80 HydrophobicContact CG1-CB 4.06Å; V46-M80 HydrophobicContact CG1-CE 4.2Å; V46-M80 HydrophobicContact CG1-CG 4.03Å; V46-M80 HydrophobicContact CG1-SD 4.18Å; V46-V82 HydrophobicContact CG1-CG2 4.28Å; V46-V82 HydrophobicContact CG2-CG2 4.16Å
47K94.4Very high89.4Confident46 Ų4653.3 Ų53.320%0.230%0.295CS..EExtended strand (participates in β ladder)trans-133.4151.9170-51.8-167.7-173.9-174.20110.4Q45 E55 I56 C57 M80 N81 Y83Q45-K47 HydrophobicContact CG-CG 4.49Å; K47-E55 HydrophobicContact CB-CB 4.41Å; K47-E55 HydrophobicContact CD-CB 4.01Å; K47-E55 IonicContact NZ-OE2 3.84Å; K47-I56 CarbonylContact C-O 3.41Å; K47-I56 WeakPolarHBondContact CA-O 3.12Å; K47-I56 VanDerWaalsContact CB-O 3.29Å; K47-I56 WeakPolarHBondContact CB-O 3.23Å; K47-C57 VanDerWaalsContact CE-SG 3.54Å; K47-C57 HydrophobicContact CG-CB 4.42Å; K47-M80 CarbonylContact O-C 3.55Å; K47-M80 WeakPolarHBondContact O-CA 3.38Å; K47-N81 PolarHBondContact N-O 2.98Å; K47-N81 PolarHBondContact O-N 3.46Å; K47-Y83 HydrophobicContact CB-CE2 4.12Å; K47-Y83 HydrophobicContact CD-CD2 4.32Å; K47-Y83 HydrophobicContact CD-CE2 3.76Å; K47-Y83 HydrophobicContact CG-CD2 4.05Å; K47-Y83 HydrophobicContact CG-CE2 3.73Å
48Y93.7Very high89.6Confident4 Ų449.6 Ų49.62%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-124.9165.9172.176.2-77.9000111.6D50 E54 E55 I56 I58 A67 L78 H79Y48-D50 HydrophobicContact CE2-CB 4.18Å; Y48-E54 VanDerWaalsContact O-O 3.13Å; Y48-E55 CarbonylContact O-C 3.45Å; Y48-E55 VanDerWaalsContact O-CA 3.32Å; Y48-E55 WeakPolarHBondContact O-CA 3.3Å; Y48-I56 HydrophobicContact CD1-CB 4.09Å; Y48-I56 HydrophobicContact CD1-CG2 4.36Å; Y48-I56 WeakPolarHBondContact CD1-O 3.43Å; Y48-I56 HydrophobicContact CE1-CB 3.57Å; Y48-I56 HydrophobicContact CE1-CG2 3.53Å; Y48-I56 PolarHBondContact N-O 3.11Å; Y48-I56 PolarHBondContact O-N 2.84Å; Y48-I58 HydrophobicContact CD1-CD1 3.76Å; Y48-I58 HydrophobicContact CD1-CG1 3.64Å; Y48-I58 HydrophobicContact CE1-CD1 4.47Å; Y48-I58 HydrophobicContact CE1-CG1 4.06Å; Y48-I58 HydrophobicContact CG-CD1 4.42Å; Y48-A67 HydrophobicContact CD1-CB 3.64Å; Y48-A67 HydrophobicContact CD2-CB 3.72Å; Y48-A67 HydrophobicContact CE1-CB 3.6Å; Y48-A67 HydrophobicContact CE2-CB 3.73Å; Y48-A67 HydrophobicContact CG-CB 3.68Å; Y48-L78 HydrophobicContact CD2-CD1 3.84Å; Y48-L78 HydrophobicContact CG-CD1 4.08Å; Y48-H79 VanDerWaalsContact CA-O 3.25Å; Y48-H79 WeakPolarHBondContact CA-O 3.39Å
49F88.3Confident89.3Confident64 Ų6453.9 Ų53.928%0.28128%0.284SS..EExtended strand (participates in β ladder)trans-95.3124.4172.8-71.3-86.2000111.8E54 E55 H79F49-E54 WeakPolarHBondContact CA-O 3.35Å; F49-E55 HydrophobicContact CD1-CG 4.24Å; F49-E55 HydrophobicContact CE1-CG 3.53Å; F49-E55 HydrophobicContact CE2-CG 4.22Å; F49-E55 HydrophobicContact CZ-CG 3.52Å; F49-H79 HydrophobicContact CD2-CB 4.36Å; F49-H79 PolarHBondContact N-O 3.09Å
50D89.1Confident89.2Confident12 Ų1254.4 Ų54.46%0.06429%0.291CS..  trans-82.2177.3176.281.9-5.1000113.7Y48 D52 N53 E54 I56 R301Y48-D50 HydrophobicContact CE2-CB 4.18Å; D50-D52 PolarHBondContact O-N 2.89Å; D50-D52 VanDerWaalsContact OD1-C 3.27Å; D50-D52 WeakPolarHBondContact OD1-CA 3.46Å; D50-D52 PolarHBondContact OD1-N 2.96Å; D50-N53 WeakPolarHBondContact O-CA 3.43Å; D50-N53 PolarHBondContact O-N 3.43Å; D50-N53 PolarHBondContact OD1-N 2.74Å; D50-E54 PolarHBondContact N-O 3.44Å; D50-E54 VanDerWaalsContact N-O 3.08Å; D50-E54 WeakPolarHBondContact OD1-CB 3.23Å; D50-E54 PolarHBondContact OD1-N 3.37Å; D50-I56 HydrophobicContact CB-CD1 3.75Å; D50-I56 HydrophobicContact CB-CG1 4.27Å; D50-I56 WeakPolarHBondContact OD2-CD1 3.27Å; D50-R301 IonicContact OD2-NH1 2.73Å; D50-R301 IonicContact OD2-NH2 3.12Å
51E85.8Confident89.2Confident87 Ų8753.9 Ų53.941%0.40727%0.273SS..THydrogen-bonded Turntrans-61.9-20178.3-69.1165.8-150.100114.6K73E51-K73 WeakPolarHBondContact OE1-CD 3.43Å; E51-K73 WeakPolarHBondContact OE1-CE 3.33Å; E51-K73 IonicContact OE1-NZ 2.88Å; E51-K73 PolarHBondContact OE1-NZ 3.39Å; E51-K73 IonicContact OE2-NZ 2.68Å
52D85.1Confident89.1Confident41 Ų4159.7 Ų59.722%0.21930%0.304CS..THydrogen-bonded Turntrans-10017.4173.3-65.1-81000111.8D50 K298 R302 K305D50-D52 PolarHBondContact O-N 2.89Å; D50-D52 VanDerWaalsContact OD1-C 3.27Å; D50-D52 WeakPolarHBondContact OD1-CA 3.46Å; D50-D52 PolarHBondContact OD1-N 2.96Å; D52-K298 VanDerWaalsContact CG-NZ 3.33Å; D52-K298 WeakPolarHBondContact OD1-CE 3.06Å; D52-K298 IonicContact OD1-NZ 3.31Å; D52-K298 PolarHBondContact OD1-NZ 3.32Å; D52-K298 WeakPolarHBondContact OD2-CE 3.44Å; D52-K298 IonicContact OD2-NZ 2.61Å; D52-K298 PolarHBondContact OD2-NZ 3.27Å; D52-R302 IonicContact OD1-CZ 3.17Å; D52-R302 IonicContact OD1-NE 2.7Å; D52-R302 IonicContact OD1-NH2 2.71Å; D52-R302 PolarHBondContact OD1-NH2 3.03Å; D52-K305 PolarHBondContact O-NZ 3.29Å; D52-K305 VanDerWaalsContact O-NZ 3.07Å
53N82.3Confident89.4Confident124 Ų12455.2 Ų55.266%0.66328%0.278SS*.SBendtrans57.243.5-179.2-90.7-56.4000114.6D50D50-N53 WeakPolarHBondContact O-CA 3.43Å; D50-N53 PolarHBondContact O-N 3.43Å; D50-N53 PolarHBondContact OD1-N 2.74Å
54E85.9Confident89.5Confident44 Ų4451 Ų5121%0.20626%0.259CS..  trans-104.8139.9175.8-61.2-177.4-123.100112.8Y48 F49 D50 I56 R301 K305Y48-E54 VanDerWaalsContact O-O 3.13Å; F49-E54 WeakPolarHBondContact CA-O 3.35Å; D50-E54 PolarHBondContact N-O 3.44Å; D50-E54 VanDerWaalsContact N-O 3.08Å; D50-E54 WeakPolarHBondContact OD1-CB 3.23Å; D50-E54 PolarHBondContact OD1-N 3.37Å; E54-I56 PolarHBondContact O-N 3.42Å; E54-I56 VanDerWaalsContact O-N 3.1Å; E54-R301 IonicContact OE1-CZ 2.86Å; E54-R301 IonicContact OE1-NE 3.64Å; E54-R301 PolarHBondContact OE1-NE 3.41Å; E54-R301 IonicContact OE1-NH1 2.76Å; E54-R301 IonicContact OE1-NH2 3.67Å; E54-R301 PolarHBondContact OE1-NH2 3.22Å; E54-R301 IonicContact OE2-CZ 2.96Å; E54-R301 VanDerWaalsContact OE2-CZ 3.27Å; E54-R301 IonicContact OE2-NE 2.6Å; E54-R301 PolarHBondContact OE2-NE 3.36Å; E54-R301 VanDerWaalsContact OE2-NE 3.15Å; E54-R301 IonicContact OE2-NH2 3.07Å; E54-R301 PolarHBondContact OE2-NH2 2.85Å; E54-K305 WeakPolarHBondContact OE1-CE 3.26Å; E54-K305 IonicContact OE1-NZ 3.75Å; E54-K305 PolarHBondContact OE1-NZ 3.45Å
55E88.2Confident89.2Confident73 Ų7353.6 Ų53.634%0.34127%0.271SS..EExtended strand (participates in β ladder)trans-73.295.4169.2-74.3-15914800111.1K47 Y48 F49 N81 Y83K47-E55 HydrophobicContact CB-CB 4.41Å; K47-E55 HydrophobicContact CD-CB 4.01Å; K47-E55 IonicContact NZ-OE2 3.84Å; Y48-E55 CarbonylContact O-C 3.45Å; Y48-E55 VanDerWaalsContact O-CA 3.32Å; Y48-E55 WeakPolarHBondContact O-CA 3.3Å; F49-E55 HydrophobicContact CD1-CG 4.24Å; F49-E55 HydrophobicContact CE1-CG 3.53Å; F49-E55 HydrophobicContact CE2-CG 4.22Å; F49-E55 HydrophobicContact CZ-CG 3.52Å; E55-N81 PolarHBondContact OE1-ND2 2.93Å; E55-Y83 PolarHBondContact OE1-OH 3.44Å; E55-Y83 PolarHBondContact OE2-OH 3.41Å
56I91.8Very high89Confident46 Ų4655.7 Ų55.724%0.23628%0.281CS..EExtended strand (participates in β ladder)trans-88.1136.5171.2-61.5-171.9000108.9K47 Y48 D50 E54K47-I56 CarbonylContact C-O 3.41Å; K47-I56 WeakPolarHBondContact CA-O 3.12Å; K47-I56 VanDerWaalsContact CB-O 3.29Å; K47-I56 WeakPolarHBondContact CB-O 3.23Å; Y48-I56 HydrophobicContact CD1-CB 4.09Å; Y48-I56 HydrophobicContact CD1-CG2 4.36Å; Y48-I56 WeakPolarHBondContact CD1-O 3.43Å; Y48-I56 HydrophobicContact CE1-CB 3.57Å; Y48-I56 HydrophobicContact CE1-CG2 3.53Å; Y48-I56 PolarHBondContact N-O 3.11Å; Y48-I56 PolarHBondContact O-N 2.84Å; D50-I56 HydrophobicContact CB-CD1 3.75Å; D50-I56 HydrophobicContact CB-CG1 4.27Å; D50-I56 WeakPolarHBondContact OD2-CD1 3.27Å; E54-I56 PolarHBondContact O-N 3.42Å; E54-I56 VanDerWaalsContact O-N 3.1Å
57C92.6Very high88.9Confident38 Ų3855.6 Ų55.626%0.25728%0.28SS..EExtended strand (participates in β ladder)trans-78.9153.5175.9-56.60000110.4V46 K47 E63V46-C57 WeakPolarHBondContact O-CA 3.16Å; K47-C57 VanDerWaalsContact CE-SG 3.54Å; K47-C57 HydrophobicContact CG-CB 4.42Å; C57-E63 VanDerWaalsContact O-OE2 3.11Å
58I92.3Very high88.6Confident9 Ų953.7 Ų53.75%0.04627%0.272CS..EExtended strand (participates in β ladder)trans-113.1121.5168.9-56170.4000108W28 V46 Y48 E63 A67 M80W28-I58 HydrophobicContact CD2-CG2 3.95Å; W28-I58 HydrophobicContact CE3-CG2 3.68Å; W28-I58 HydrophobicContact CH2-CB 4Å; W28-I58 HydrophobicContact CH2-CG2 3.77Å; W28-I58 HydrophobicContact CZ2-CB 4.47Å; W28-I58 HydrophobicContact CZ2-CG2 4.06Å; W28-I58 HydrophobicContact CZ3-CB 4.13Å; W28-I58 HydrophobicContact CZ3-CD1 4.08Å; W28-I58 HydrophobicContact CZ3-CG2 3.59Å; V46-I58 PolarHBondContact O-N 2.89Å; Y48-I58 HydrophobicContact CD1-CD1 3.76Å; Y48-I58 HydrophobicContact CD1-CG1 3.64Å; Y48-I58 HydrophobicContact CE1-CD1 4.47Å; Y48-I58 HydrophobicContact CE1-CG1 4.06Å; Y48-I58 HydrophobicContact CG-CD1 4.42Å; I58-E63 WeakPolarHBondContact CA-OE2 3.48Å; I58-E63 HydrophobicContact CG2-CB 4.27Å; I58-A67 HydrophobicContact CD1-CB 4.02Å; I58-M80 HydrophobicContact CD1-CE 3.51Å
59N84.4Confident88.3Confident114 Ų11457.9 Ų57.961%0.6129%0.291SS*.  trans-124.9-9.8178.566.656.3000113.5E63N59-E63 VanDerWaalsContact CG-CD 3.49Å; N59-E63 PolarHBondContact N-OE2 3.4Å; N59-E63 PolarHBondContact ND2-OE1 3.16Å; N59-E63 PolarHBondContact ND2-OE2 2.8Å; N59-E63 PolarHBondContact OD1-OE2 3.25Å
60S87.8Confident88.3Confident40 Ų4055.5 Ų55.528%0.2828%0.282SS..SBendtrans-154.1164.6-170.850.10000112.1E63 Y64S60-E63 PolarHBondContact O-N 2.92Å; S60-Y64 PolarHBondContact O-N 2.87Å; S60-Y64 VanDerWaalsContact O-N 3.14Å
61Q89.2Confident88.2Confident49 Ų4955 Ų5523%0.22928%0.279CS..Hα-helixtrans-61-43.3178.5177.860.64.200112.1E63 Y64 E65Q61-E63 VanDerWaalsContact C-N 3.31Å; Q61-E63 PolarHBondContact O-N 2.87Å; Q61-Y64 WeakPolarHBondContact O-CB 3.34Å; Q61-Y64 PolarHBondContact O-N 3.23Å; Q61-Y64 VanDerWaalsContact O-N 3.08Å; Q61-E65 PolarHBondContact O-N 3.41Å
62D86.6Confident88.2Confident123 Ų12354.4 Ų54.466%0.65828%0.277SS*.Hα-helixtrans-56.5-42.5177.4-64.80.1000112.3E65 E66D62-E65 PolarHBondContact O-N 2.95Å; D62-E66 PolarHBondContact O-N 3.49Å
63E90.3Very high88.2Confident55 Ų5559.3 Ų59.326%0.25730%0.296SS..Hα-helixtrans-70.5-33.3177-72.6-179.9171.600112.5C57 I58 N59 S60 Q61 E66 A67C57-E63 VanDerWaalsContact O-OE2 3.11Å; I58-E63 WeakPolarHBondContact CA-OE2 3.48Å; I58-E63 HydrophobicContact CG2-CB 4.27Å; N59-E63 VanDerWaalsContact CG-CD 3.49Å; N59-E63 PolarHBondContact N-OE2 3.4Å; N59-E63 PolarHBondContact ND2-OE1 3.16Å; N59-E63 PolarHBondContact ND2-OE2 2.8Å; N59-E63 PolarHBondContact OD1-OE2 3.25Å; S60-E63 PolarHBondContact O-N 2.92Å; Q61-E63 VanDerWaalsContact C-N 3.31Å; Q61-E63 PolarHBondContact O-N 2.87Å; E63-E66 PolarHBondContact O-N 3.38Å; E63-A67 WeakPolarHBondContact O-CB 3.37Å; E63-A67 PolarHBondContact O-N 3.42Å
64Y90.6Very high88Confident5 Ų557 Ų572%0.0228%0.282CS..Hα-helixtrans-66.9-41.3171.7175.1-105000111.3I7 L26 W28 V31 S60 Q61 A67 I68 M80I7-Y64 HydrophobicContact CD1-CE2 4.29Å; I7-Y64 WeakPolarHBondContact CD1-OH 3.49Å; L26-Y64 WeakPolarHBondContact O-CE1 3.4Å; W28-Y64 HydrophobicContact CB-CG 4.49Å; W28-Y64 AromaticContact CE3-CD2 3.65Å; W28-Y64 HydrophobicContact CE3-CD2 3.65Å; W28-Y64 HydrophobicContact CE3-CE2 4.48Å; W28-Y64 AromaticContact CE3-CG 3.84Å; W28-Y64 HydrophobicContact CE3-CG 3.84Å; W28-Y64 AromaticContact CZ3-CD2 3.99Å; W28-Y64 HydrophobicContact CZ3-CD2 3.99Å; V31-Y64 HydrophobicContact CG1-CE2 4.45Å; V31-Y64 HydrophobicContact CG2-CE2 3.95Å; S60-Y64 PolarHBondContact O-N 2.87Å; S60-Y64 VanDerWaalsContact O-N 3.14Å; Q61-Y64 WeakPolarHBondContact O-CB 3.34Å; Q61-Y64 PolarHBondContact O-N 3.23Å; Q61-Y64 VanDerWaalsContact O-N 3.08Å; Y64-A67 WeakPolarHBondContact O-CB 3.46Å; Y64-A67 PolarHBondContact O-N 3.41Å; Y64-I68 HydrophobicContact CD1-CG1 4.46Å; Y64-I68 HydrophobicContact CE1-CD1 4.47Å; Y64-I68 HydrophobicContact CE1-CG1 3.93Å; Y64-I68 HydrophobicContact CE2-CD1 3.98Å; Y64-I68 HydrophobicContact CE2-CG1 4Å; Y64-I68 WeakPolarHBondContact O-CG1 3.35Å; Y64-I68 PolarHBondContact O-N 2.94Å; Y64-M80 HydrophobicContact CD2-CE 4.09Å; Y64-M80 HydrophobicContact CE2-CE 4.08Å
65E88.3Confident87.9Confident80 Ų8057.2 Ų57.237%0.37430%0.295SS..Hα-helixtrans-62.1-44.2172.6-75.3-167-157.800112.4Q61 D62 A67 I68 K69Q61-E65 PolarHBondContact O-N 3.41Å; D62-E65 PolarHBondContact O-N 2.95Å; E65-A67 VanDerWaalsContact C-N 3.25Å; E65-A67 PolarHBondContact O-N 2.81Å; E65-I68 PolarHBondContact O-N 3.42Å; E65-K69 WeakPolarHBondContact O-CB 3.2Å; E65-K69 WeakPolarHBondContact O-CD 3.42Å; E65-K69 WeakPolarHBondContact O-CG 3.34Å; E65-K69 PolarHBondContact O-N 2.9Å; E65-K69 IonicContact OE2-NZ 3.36Å; E65-K69 PolarHBondContact OE2-NZ 3.39Å
66E88.9Confident88Confident113 Ų11355.3 Ų55.353%0.52829%0.287SS..Hα-helixtrans-63.1-32.5174-73.1-148.5149.100111.8D62 E63 S70D62-E66 PolarHBondContact O-N 3.49Å; E63-E66 PolarHBondContact O-N 3.38Å; E66-S70 VanDerWaalsContact O-CB 3.31Å; E66-S70 WeakPolarHBondContact O-CB 3.17Å; E66-S70 PolarHBondContact O-N 3.26Å; E66-S70 PolarHBondContact O-OG 2.99Å
67A90.5Very high87.8Confident0 Ų057.1 Ų57.10%030%0.295CS..Hα-helixtrans-64.8-44.4172.600000112.6Y48 I58 E63 Y64 E65 S70 A71 L78Y48-A67 HydrophobicContact CD1-CB 3.64Å; Y48-A67 HydrophobicContact CD2-CB 3.72Å; Y48-A67 HydrophobicContact CE1-CB 3.6Å; Y48-A67 HydrophobicContact CE2-CB 3.73Å; Y48-A67 HydrophobicContact CG-CB 3.68Å; I58-A67 HydrophobicContact CD1-CB 4.02Å; E63-A67 WeakPolarHBondContact O-CB 3.37Å; E63-A67 PolarHBondContact O-N 3.42Å; Y64-A67 WeakPolarHBondContact O-CB 3.46Å; Y64-A67 PolarHBondContact O-N 3.41Å; E65-A67 VanDerWaalsContact C-N 3.25Å; E65-A67 PolarHBondContact O-N 2.81Å; A67-S70 WeakPolarHBondContact O-CB 3.49Å; A67-S70 PolarHBondContact O-N 3.33Å; A67-A71 PolarHBondContact O-N 3.47Å; A67-L78 HydrophobicContact CB-CD1 4.1Å; A67-L78 HydrophobicContact CB-CD2 4.05Å
68I88.2Confident87.7Confident6 Ų655.5 Ų55.53%0.03128%0.283CS..Hα-helixtrans-66.4-46.3176.7-62.9-68.9000111.1V5 I7 V23 Y64 E65 S70 A71 E72 L78V5-I68 HydrophobicContact CG1-CD1 4.12Å; V5-I68 HydrophobicContact CG2-CG2 4.14Å; I7-I68 HydrophobicContact CD1-CD1 3.67Å; I7-I68 HydrophobicContact CG1-CD1 4.27Å; V23-I68 HydrophobicContact CG1-CG2 3.71Å; V23-I68 HydrophobicContact CG2-CG2 4.21Å; Y64-I68 HydrophobicContact CD1-CG1 4.46Å; Y64-I68 HydrophobicContact CE1-CD1 4.47Å; Y64-I68 HydrophobicContact CE1-CG1 3.93Å; Y64-I68 HydrophobicContact CE2-CD1 3.98Å; Y64-I68 HydrophobicContact CE2-CG1 4Å; Y64-I68 WeakPolarHBondContact O-CG1 3.35Å; Y64-I68 PolarHBondContact O-N 2.94Å; E65-I68 PolarHBondContact O-N 3.42Å; I68-S70 PolarHBondContact O-N 3.36Å; I68-A71 WeakPolarHBondContact O-CA 3.49Å; I68-A71 WeakPolarHBondContact O-CB 3.34Å; I68-A71 PolarHBondContact O-N 3.06Å; I68-E72 PolarHBondContact O-N 3.42Å; I68-L78 HydrophobicContact CD1-CD2 3.76Å; I68-L78 HydrophobicContact CG1-CD2 4.49Å
69K87.8Confident87.6Confident92 Ų9259.4 Ų59.440%0.430%0.301SS..Hα-helixtrans-59.8-29.5174.9-66.6159.8-165.5168.10112.2E65 K73E65-K69 WeakPolarHBondContact O-CB 3.2Å; E65-K69 WeakPolarHBondContact O-CD 3.42Å; E65-K69 WeakPolarHBondContact O-CG 3.34Å; E65-K69 PolarHBondContact O-N 2.9Å; E65-K69 IonicContact OE2-NZ 3.36Å; E65-K69 PolarHBondContact OE2-NZ 3.39Å; K69-K73 WeakPolarHBondContact O-CE 3.42Å
70S88.5Confident88Confident15 Ų1554.1 Ų54.111%0.10527%0.273CS..Hα-helixtrans-75.1-30.3172.5-58.80000112.9E66 A67 I68 Q74E66-S70 VanDerWaalsContact O-CB 3.31Å; E66-S70 WeakPolarHBondContact O-CB 3.17Å; E66-S70 PolarHBondContact O-N 3.26Å; E66-S70 PolarHBondContact O-OG 2.99Å; A67-S70 WeakPolarHBondContact O-CB 3.49Å; A67-S70 PolarHBondContact O-N 3.33Å; I68-S70 PolarHBondContact O-N 3.36Å; S70-Q74 WeakPolarHBondContact O-CG 3.31Å; S70-Q74 PolarHBondContact O-NE2 2.96Å
71A87.8Confident88.3Confident0 Ų053.5 Ų53.50%027%0.267CS..Hα-helixtrans-78.7-35.7179.300000113V5 A67 I68 K73 Q74 G75 N76 Q77 L78V5-A71 HydrophobicContact CG1-CB 3.86Å; A67-A71 PolarHBondContact O-N 3.47Å; I68-A71 WeakPolarHBondContact O-CA 3.49Å; I68-A71 WeakPolarHBondContact O-CB 3.34Å; I68-A71 PolarHBondContact O-N 3.06Å; A71-K73 VanDerWaalsContact C-N 3.32Å; A71-K73 PolarHBondContact O-N 2.88Å; A71-Q74 CarbonylContact O-C 3.6Å; A71-Q74 WeakPolarHBondContact O-CA 3.27Å; A71-Q74 PolarHBondContact O-N 3.36Å; A71-G75 PolarHBondContact O-N 3.29Å; A71-N76 VanDerWaalsContact O-CA 3.3Å; A71-N76 WeakPolarHBondContact O-CA 3.36Å; A71-N76 PolarHBondContact O-N 3.14Å; A71-Q77 PolarHBondContact O-N 3.42Å; A71-L78 HydrophobicContact CB-CB 3.67Å; A71-L78 HydrophobicContact CB-CD1 4.16Å; A71-L78 HydrophobicContact CB-CG 4.43Å
72E86.1Confident88.5Confident76 Ų7651.5 Ų51.536%0.35526%0.257SS..Hα-helixtrans-55.6-47.6172.1-69.1175.2152.300111V5 I68 Q74 G75 N76V5-E72 HydrophobicContact CG2-CG 3.95Å; I68-E72 PolarHBondContact O-N 3.42Å; E72-Q74 PolarHBondContact O-N 2.87Å; E72-Q74 VanDerWaalsContact O-N 3.13Å; E72-G75 PolarHBondContact O-N 2.84Å; E72-N76 PolarHBondContact O-OD1 3.43Å
73K83.9Confident88.8Confident143 Ų14349.6 Ų49.662%0.62224%0.242SC*.THydrogen-bonded Turntrans-68-6.3174.9-80.4171.9-79.4161.40114.8E51 K69 A71E51-K73 WeakPolarHBondContact OE1-CD 3.43Å; E51-K73 WeakPolarHBondContact OE1-CE 3.33Å; E51-K73 IonicContact OE1-NZ 2.88Å; E51-K73 PolarHBondContact OE1-NZ 3.39Å; E51-K73 IonicContact OE2-NZ 2.68Å; K69-K73 WeakPolarHBondContact O-CE 3.42Å; A71-K73 VanDerWaalsContact C-N 3.32Å; A71-K73 PolarHBondContact O-N 2.88Å
74Q79.1Confident88.8Confident77 Ų7752.5 Ų52.536%0.3625%0.253SS..THydrogen-bonded Turntrans-115.726178.3-69.4-179.477.100112.8S70 A71 E72S70-Q74 WeakPolarHBondContact O-CG 3.31Å; S70-Q74 PolarHBondContact O-NE2 2.96Å; A71-Q74 CarbonylContact O-C 3.6Å; A71-Q74 WeakPolarHBondContact O-CA 3.27Å; A71-Q74 PolarHBondContact O-N 3.36Å; E72-Q74 PolarHBondContact O-N 2.87Å; E72-Q74 VanDerWaalsContact O-N 3.13Å
75G84.4Confident88.5Confident47 Ų4756 Ų5649%0.48527%0.271SS..THydrogen-bonded Turntrans76.244.4179.300000112.6A71 E72 Q77A71-G75 PolarHBondContact O-N 3.29Å; E72-G75 PolarHBondContact O-N 2.84Å; G75-Q77 VanDerWaalsContact C-N 3.28Å; G75-Q77 WeakPolarHBondContact O-CG 3.22Å; G75-Q77 PolarHBondContact O-N 3.47Å; G75-Q77 PolarHBondContact O-NE2 2.86Å; G75-Q77 VanDerWaalsContact O-NE2 3.12Å
76N88.6Confident87.6Confident33 Ų3362.1 Ų62.118%0.17630%0.296CS..SBendtrans50.139.5173.1-66.562.5000114.3L3 V5 T6 A71 E72L3-N76 PolarHBondContact O-ND2 2.94Å; V5-N76 HydrophobicContact CG2-CB 4.23Å; T6-N76 PolarHBondContact N-O 3.33Å; A71-N76 VanDerWaalsContact O-CA 3.3Å; A71-N76 WeakPolarHBondContact O-CA 3.36Å; A71-N76 PolarHBondContact O-N 3.14Å; E72-N76 PolarHBondContact O-OD1 3.43Å
77Q87.6Confident85.7Confident85 Ų8560 Ų6040%0.39731%0.305SS..EExtended strand (participates in β ladder)trans-131.7105.4-178.9-77.2168.68900111.9T6 A71 G75T6-Q77 WeakPolarHBondContact O-CA 3.2Å; A71-Q77 PolarHBondContact O-N 3.42Å; G75-Q77 VanDerWaalsContact C-N 3.28Å; G75-Q77 WeakPolarHBondContact O-CG 3.22Å; G75-Q77 PolarHBondContact O-N 3.47Å; G75-Q77 PolarHBondContact O-NE2 2.86Å; G75-Q77 VanDerWaalsContact O-NE2 3.12Å
78L90.3Very high83.1Confident3 Ų368.3 Ų68.32%0.01634%0.343CS..EExtended strand (participates in β ladder)trans-89.2122.5176.4-175.854.5000110V5 T6 I7 K8 Y48 A67 I68 A71 M80V5-L78 HydrophobicContact CG1-CB 4.18Å; T6-L78 PolarHBondContact O-N 2.85Å; I7-L78 HydrophobicContact CD1-CD2 4.45Å; I7-L78 HydrophobicContact CG1-CB 4.17Å; I7-L78 HydrophobicContact CG1-CD2 4.38Å; I7-L78 HydrophobicContact CG2-CB 4.41Å; I7-L78 HydrophobicContact CG2-CD2 4.34Å; I7-L78 HydrophobicContact CG2-CG 4.49Å; K8-L78 PolarHBondContact N-O 3.3Å; Y48-L78 HydrophobicContact CD2-CD1 3.84Å; Y48-L78 HydrophobicContact CG-CD1 4.08Å; A67-L78 HydrophobicContact CB-CD1 4.1Å; A67-L78 HydrophobicContact CB-CD2 4.05Å; I68-L78 HydrophobicContact CD1-CD2 3.76Å; I68-L78 HydrophobicContact CG1-CD2 4.49Å; A71-L78 HydrophobicContact CB-CB 3.67Å; A71-L78 HydrophobicContact CB-CD1 4.16Å; A71-L78 HydrophobicContact CB-CG 4.43Å; L78-M80 HydrophobicContact CD2-CE 3.93Å; L78-M80 HydrophobicContact CD2-CG 4.42Å; L78-M80 HydrophobicContact CD2-SD 4.37Å; L78-M80 HydrophobicContact CG-CG 4.22Å
79H90.6Very high80.7Confident92 Ų9272.7 Ų72.743%0.42638%0.38SS..EExtended strand (participates in β ladder)trans-101.5115.5175.4-83-116.4000110.6K8 Y48 F49K8-H79 PolarHBondContact NZ-NE2 2.86Å; Y48-H79 VanDerWaalsContact CA-O 3.25Å; Y48-H79 WeakPolarHBondContact CA-O 3.39Å; F49-H79 HydrophobicContact CD2-CB 4.36Å; F49-H79 PolarHBondContact N-O 3.09Å
80M93.5Very high78Confident2 Ų274.5 Ų74.51%0.0140%0.403CS..EExtended strand (participates in β ladder)trans-115136.5-179.8-75.2168.3150.100112.3I7 K8 V9 N10 W28 V31 V46 K47 I58 Y64 L78I7-M80 HydrophobicContact CG2-CE 4.46Å; I7-M80 HydrophobicContact CG2-CG 4.47Å; I7-M80 HydrophobicContact CG2-SD 3.46Å; I7-M80 WeakPolarHBondContact CG2-SD 3.31Å; K8-M80 PolarHBondContact O-N 3.4Å; V9-M80 HydrophobicContact CG1-CB 4.41Å; V9-M80 HydrophobicContact CG2-CB 4.29Å; V9-M80 HydrophobicContact CG2-SD 3.93Å; N10-M80 PolarHBondContact N-O 2.92Å; W28-M80 HydrophobicContact CZ3-CE 3.97Å; V31-M80 HydrophobicContact CG1-CE 4.4Å; V46-M80 HydrophobicContact CG1-CB 4.06Å; V46-M80 HydrophobicContact CG1-CE 4.2Å; V46-M80 HydrophobicContact CG1-CG 4.03Å; V46-M80 HydrophobicContact CG1-SD 4.18Å; K47-M80 CarbonylContact O-C 3.55Å; K47-M80 WeakPolarHBondContact O-CA 3.38Å; I58-M80 HydrophobicContact CD1-CE 3.51Å; Y64-M80 HydrophobicContact CD2-CE 4.09Å; Y64-M80 HydrophobicContact CE2-CE 4.08Å; L78-M80 HydrophobicContact CD2-CE 3.93Å; L78-M80 HydrophobicContact CD2-CG 4.42Å; L78-M80 HydrophobicContact CD2-SD 4.37Å; L78-M80 HydrophobicContact CG-CG 4.22Å
81N93.7Very high75.2Confident28 Ų2877.9 Ų77.915%0.1544%0.44CS..EExtended strand (participates in β ladder)trans-108.3136.4167.3-77.1-26.7000109.9N10 K47 E55 Y83N10-N81 PolarHBondContact ND2-OD1 3.49Å; K47-N81 PolarHBondContact N-O 2.98Å; K47-N81 PolarHBondContact O-N 3.46Å; E55-N81 PolarHBondContact OE1-ND2 2.93Å; N81-Y83 HydrophobicContact CB-CE2 3.61Å
82V94.2Very high72.3Confident6 Ų681.3 Ų81.34%0.03648%0.476CS..EExtended strand (participates in β ladder)trans-114.9133179.5-174.50000111.2V9 N10 F11 I35 I41 F44 V46V9-V82 HydrophobicContact CG1-CG2 3.31Å; N10-V82 PolarHBondContact O-N 3.07Å; F11-V82 HydrophobicContact CB-CB 4.37Å; F11-V82 HydrophobicContact CD2-CB 4.03Å; F11-V82 HydrophobicContact CD2-CG1 4.07Å; F11-V82 WeakPolarHBondContact CD2-O 3.44Å; I35-V82 HydrophobicContact CD1-CG2 4.36Å; I35-V82 HydrophobicContact CG2-CG1 4.16Å; I35-V82 HydrophobicContact CG2-CG2 4.19Å; I41-V82 HydrophobicContact CD1-CG1 3.64Å; F44-V82 HydrophobicContact CB-CG1 3.82Å; F44-V82 HydrophobicContact CD2-CG1 3.78Å; F44-V82 HydrophobicContact CG-CG1 3.85Å; V46-V82 HydrophobicContact CG1-CG2 4.28Å; V46-V82 HydrophobicContact CG2-CG2 4.16Å
83Y92.1Very high70Confident84 Ų8483.5 Ų83.533%0.32950%0.497SS..EExtended strand (participates in β ladder)trans-119.8106.1-174.3-59.7-87.3000109.7F44 Q45 K47 E55 N81 M85F44-Y83 CarbonylContact C-O 3.56Å; F44-Y83 WeakPolarHBondContact CA-O 3.4Å; F44-Y83 VanDerWaalsContact CB-O 3.3Å; F44-Y83 WeakPolarHBondContact CB-O 3.38Å; Q45-Y83 PolarHBondContact N-O 2.96Å; Q45-Y83 PolarHBondContact O-N 2.8Å; K47-Y83 HydrophobicContact CB-CE2 4.12Å; K47-Y83 HydrophobicContact CD-CD2 4.32Å; K47-Y83 HydrophobicContact CD-CE2 3.76Å; K47-Y83 HydrophobicContact CG-CD2 4.05Å; K47-Y83 HydrophobicContact CG-CE2 3.73Å; E55-Y83 PolarHBondContact OE1-OH 3.44Å; E55-Y83 PolarHBondContact OE2-OH 3.41Å; N81-Y83 HydrophobicContact CB-CE2 3.61Å; Y83-M85 PolarHBondContact O-N 3.42Å; Y83-M85 VanDerWaalsContact O-N 3.16Å
84K89.4Confident67.4Low116 Ų11685.2 Ų85.250%0.50451%0.512SS..EExtended strand (participates in β ladder)trans-66.2113.9175.8177.1173.6-172.1163.90109.6F11 I41F11-K84 HydrophobicContact CE2-CB 3.67Å; F11-K84 HydrophobicContact CZ-CB 3.81Å; F11-K84 HydrophobicContact CZ-CD 4.42Å; I41-K84 HydrophobicContact CG2-CB 4.38Å; I41-K84 HydrophobicContact CG2-CD 3.86Å; I41-K84 HydrophobicContact CG2-CG 4.24Å
85M86.1Confident65.1Low77 Ų7791.5 Ų91.538%0.37954%0.538SS..PPolyproline II helixtrans-81.5146.8175.1-68.3-59.5-176.600110H43 Q45 Y83H43-M85 WeakPolarHBondContact CD2-CB 3.37Å; H43-M85 WeakPolarHBondContact NE2-CB 3.45Å; H43-M85 PolarHBondContact O-N 3.09Å; Q45-M85 HydrophobicContact CB-CE 3.65Å; Y83-M85 PolarHBondContact O-N 3.42Å; Y83-M85 VanDerWaalsContact O-N 3.16Å
86K67.8Low62.6Low210 Ų21093.5 Ų93.591%0.91355%0.55SS**PPolyproline II helixtrans-80.9122.8166.9-70.4-175.4178.4-1780106.7Q88K86-Q88 PolarHBondContact O-N 3.03Å
87G49.8Very low59.6Low68 Ų68100.1 Ų100.170%0.70158%0.58SS**PPolyproline II helixtrans-61.6119.4-165.300000113.9
88Q35.5Very low56.7Low174 Ų174101.3 Ų101.381%0.81359%0.593SS**  trans-95.2111.6156.1-175.5171.22.900106.5K86 C90K86-Q88 PolarHBondContact O-N 3.03Å; Q88-C90 PolarHBondContact O-N 2.9Å
89A37.4Very low53.7Low98 Ų98109 Ų10981%0.8163%0.626SS**  trans-82.7117.6-176.700000110.5G91A89-G91 PolarHBondContact O-N 3.17Å
90C32.1Very low50.7Low131 Ų131111.2 Ų111.289%0.88564%0.636SS**  trans-68.2111.7170.5-62.30000109.6Q88 G92Q88-C90 PolarHBondContact O-N 2.9Å; C90-G92 PolarHBondContact O-N 3.03Å
91G29.8Very low47.7Very low85 Ų85118.5 Ų118.588%0.87668%0.675SS**  trans-8191.7179.800000112.8A89A89-G91 PolarHBondContact O-N 3.17Å
92G27.4Very low44.5Very low73 Ų73124.7 Ų124.775%0.75370%0.7SS**  trans-126.3111.1169.500000110.7C90C90-G92 PolarHBondContact O-N 3.03Å
93P36.9Very low41.2Very low121 Ų121127.1 Ų127.179%0.78673%0.727SS**  trans-103114.1-168.735-30.7000114.2
94L28.9Very low38.1Very low180 Ų180129.2 Ų129.294%0.94274%0.744SS**  trans-138.7157.3152-78.1-177.1000110.6
95K30.8Very low35.2Very low208 Ų208131.8 Ų131.890%0.90476%0.762SS**  trans-125176.8-176.4-81.3-174.3175.2-179.60110.5
96A32.2Very low32.5Very low90 Ų90138.7 Ų138.774%0.74478%0.784SS**  trans90.1140.7175.400000114.1
97E25.5Very low30.9Very low172 Ų172134.9 Ų134.980%0.80478%0.781SS**  cis-152.6155.8-3.4-131.6-173.7104.700114.8
98V26.5Very low29.7Very low110 Ų110135.3 Ų135.367%0.66778%0.777SS**  trans31.1117.5147.1165.50000121.2
99K26.9Very low30.4Very low164 Ų164132.8 Ų132.871%0.71378%0.776SS**  176.6156.2127-99-176.3-173.6-67.50111.2
100E27.4Very low30.7Very low138 Ų138134 Ų13465%0.64578%0.776SS**  cis-150.2-79.9-12.9-171.2112.7-88.700112.9
101L31.5Very low30.5Very low156 Ų156137.5 Ų137.582%0.81777%0.772SS**  trans-149.3157-163-80166.3000110.3
102K25.7Very low31.1Very low157 Ų157138.9 Ų138.968%0.68377%0.766SS**  cis-161.8158.1-4.9167.4173.6-178.7168.10106.8D104K102-D104 WeakPolarHBondContact CE-OD2 3.36Å; K102-D104 IonicContact NZ-OD2 3.03Å; K102-D104 PolarHBondContact NZ-OD2 3.26Å
103G24.9Very low31.2Very low58 Ų58138.9 Ų138.960%0.59875%0.754SS**  cis121158.91.200000113.8
104D27.7Very low30.8Very low128 Ų128144.4 Ų144.468%0.68476%0.759SS**  trans67.2145.3-172.1-61.2-28.1000115.9K102K102-D104 WeakPolarHBondContact CE-OD2 3.36Å; K102-D104 IonicContact NZ-OD2 3.03Å; K102-D104 PolarHBondContact NZ-OD2 3.26Å
105L29.4Very low30.9Very low170 Ų170142.5 Ų142.589%0.8976%0.755SS**  cis-125.116124.4-72.8159.2000115.6
106R29.4Very low30.9Very low221 Ų221142 Ų14283%0.83475%0.752SS**  trans-122.1153.7166.6-94.8-100.3-159.1147.56.3107.8
107P32.7Very low30.9Very low131 Ų131142.9 Ų142.985%0.85175%0.753SS**  -149.6177.292.137.7-18.6000116.2
108A25.8Very low31Very low76 Ų76141.1 Ų141.163%0.62875%0.754SS**  trans-160.7-176.7169.900000107
109P50.1Low31.1Very low122 Ų122141.3 Ų141.379%0.79275%0.751SS**  cis-114.9-127.3-1530.1-5.4000109.6
110P43Very low31.4Very low124 Ų124142.1 Ų142.181%0.80576%0.755SS**  cis-133.6-17835.438.7-17.6000117
111Y27.2Very low31.5Very low203 Ų203139 Ų13980%0.79676%0.759SS**  trans-99.2167.3175.7-148.2-128.4000110.4S113Y111-S113 VanDerWaalsContact CD1-N 3.32Å
112P42.4Very low31.4Very low115 Ų115138.8 Ų138.875%0.74777%0.765SS**  -159.5120.492.837.6-15.2000119.5
113S29.4Very low31.5Very low72 Ų72139.2 Ų139.250%0.50377%0.769SS.*  43.4145.3124.9830000126.3Y111Y111-S113 VanDerWaalsContact CD1-N 3.32Å
114R29.3Very low31.6Very low237 Ų237143.9 Ų143.989%0.89478%0.779SS**  trans80.2152.5159-52167.783.8168.63.7115.1
115V30.4Very low31.4Very low140 Ų140143.7 Ų143.785%0.84878%0.782SS**  cis-132.1174.418.2176.50000111.5
116K31.8Very low32Very low197 Ų197141 Ų14186%0.85778%0.775SS**  trans-115.1145.2179.2-65.7-178.2176.2-177.40114.9
117S31Very low31.8Very low109 Ų109139.5 Ų139.576%0.76278%0.778SS**  trans-169.8134.9148.214.70000107
118V27.8Very low31.8Very low135 Ų135143.5 Ų143.582%0.81878%0.776SS**  71.2117.154.5178.30000110.5
119D30Very low31.9Very low114 Ų114146.4 Ų146.461%0.6178%0.776SS**  cis-151.3174.613.4-145.7-15.4000115
120K32.5Very low30.8Very low182 Ų182145.5 Ų145.579%0.79177%0.773SS**  trans-0.1145.6170.5-64.4132.4-164.8154.80122.6
121G28.8Very low30.2Very low71 Ų71145.8 Ų145.873%0.73277%0.772SS**  trans-16720.6175.600000123.2
122T29.6Very low30.2Very low152 Ų152140.9 Ų140.993%0.93377%0.773SS**  trans70175.9165.4-49.60000117.8
123Q29.1Very low29.8Very low167 Ų167142.1 Ų142.178%0.7878%0.779SS**  trans-108140.1-153.2-62.4-179.61.900117.5
124I26.4Very low29.9Very low156 Ų156148.5 Ų148.580%0.880%0.797SS**  38116.9126.6-47.8176.3000120.3
125T23.8Very low30.2Very low123 Ų123145.5 Ų145.576%0.75579%0.793SS**  trans-117.4-168.9148.456.10000108.1
126P41.7Very low30.2Very low113 Ų113145.5 Ų145.573%0.73479%0.788SS**  cis-108.1169.9-283.522.4000111.2
127E25.8Very low30.1Very low191 Ų191144.6 Ų144.689%0.89379%0.785SS**  87.8144.362.5-152.6171-157.200116.8
128R32.3Very low30Very low215 Ų215143.3 Ų143.381%0.81179%0.789SS**  trans-64.2159.9-170.6-76.1173.285.9158.25.4115.1
129E28.1Very low30.2Very low136 Ų136144.3 Ų144.364%0.63679%0.789SS**  cis-141.6-122.2-1.8-145.9177.8-95.100112.8
130S27Very low30.7Very low104 Ų104147.5 Ų147.573%0.72780%0.798SS**  cis-159.4163.33.771.20000114.6
131V29.4Very low31.1Very low130 Ų130145 Ų14579%0.78880%0.8SS**  trans-5.2121.3164-176.70000119.9
132A26.9Very low31.6Very low99 Ų99148.1 Ų148.182%0.81880%0.8SS**  -169.1116.1129.400000111.9
133V33.8Very low32.5Very low142 Ų142149 Ų14986%0.86180%0.799SS**  trans-107.2129.7171176.90000109.8
134K31.8Very low33.9Very low206 Ų206148 Ų14890%0.89680%0.799SS**  trans-144.4108.9172-169.5173.9-174.7175.70109.9
135E36.5Very low36.2Very low174 Ų174143.9 Ų143.981%0.81378%0.783SS**  trans-69.4146.2-179.7-59.5-175.9116.400112.6
136N29.8Very low38.9Very low139 Ų139141 Ų14174%0.74377%0.766SS**  trans-163.1145131.4-119-73.8000113.7
137K29.4Very low41Very low179 Ų179139.1 Ų139.178%0.77875%0.754SS**  trans44.193.2157.6-71.3170.6-177179.60117.4N139K137-N139 PolarHBondContact O-N 2.6Å
138G28.8Very low43.2Very low82 Ų82137.1 Ų137.185%0.84575%0.746SS**  trans-60.6130.6154.100000111
139N33.2Very low45.9Very low156 Ų156135.6 Ų135.683%0.83474%0.741SS**  trans-75.6176167.6-84.5-38.9000110.8K137K137-N139 PolarHBondContact O-N 2.6Å
140K39.5Very low48.5Very low181 Ų181133.2 Ų133.279%0.78773%0.728SS**PPolyproline II helixtrans-60.3153.6168-57.8167.6-173.1169.10109.6D142K140-D142 PolarHBondContact O-N 3.1Å
141P41.5Very low51.4Low130 Ų130133.9 Ų133.984%0.84472%0.715SS**PPolyproline II helixtrans-62.1123.8157.629-32.3000108.1
142D38.7Very low54Low136 Ų136130.1 Ų130.173%0.72769%0.694SS**PPolyproline II helixtrans-77.5155.4168.1-87.3-63.1000110K140 D144K140-D142 PolarHBondContact O-N 3.1Å; D142-D144 PolarHBondContact O-N 3.38Å
143D48.5Very low57Low170 Ų170131.9 Ų131.991%0.90968%0.68SS**  trans-69.582164.5-87.4-61000108.5
144D58.6Low59.8Low145 Ų145128.1 Ų128.178%0.77565%0.654SS**PPolyproline II helixtrans-58.2127.3177.3-110.3-33.8000109.4D142D142-D144 PolarHBondContact O-N 3.38Å
145P74.3Confident62.5Low71 Ų71124.1 Ų124.146%0.46164%0.639SS.*PPolyproline II helixtrans-61.5137.5-174.823-32.7000110.9R151P145-R151 VanDerWaalsContact CB-NH2 3.29Å
146P80.4Confident64.9Low63 Ų63122.4 Ų122.441%0.40963%0.629SS.*PPolyproline II helixtrans-56.5143.9178.522.5-33.9000110.5F150 R151P146-F150 HydrophobicContact CB-CD1 4.01Å; P146-R151 HydrophobicContact CG-CG 4.36Å; P146-R151 WeakPolarHBondContact O-CD 3.38Å
147P86.4Confident67.8Low73 Ų73120.3 Ų120.347%0.47461%0.613SS.*PPolyproline II helixtrans-48.5145.3-166.3-32.636000114.7W149 F150 R151P147-W149 HydrophobicContact CB-CG 4.32Å; P147-W149 PolarHBondContact O-N 3.07Å; P147-W149 VanDerWaalsContact O-N 3.09Å; P147-F150 WeakPolarHBondContact O-CA 3.42Å; P147-F150 WeakPolarHBondContact O-CB 3.28Å; P147-F150 PolarHBondContact O-N 2.87Å; P147-R151 PolarHBondContact O-N 3.28Å
148M72.1Confident70.5Confident148 Ų148118 Ų11873%0.72960%0.603SS**Hα-helixtrans-55.9-32.1-177.6-72.1-61.7-64.400113.4S152M148-S152 WeakPolarHBondContact O-CB 3.4Å; M148-S152 PolarHBondContact O-N 3.23Å
149W89.4Confident73.4Confident184 Ų184119 Ų11970%0.69759%0.589SS**Hα-helixtrans-65.9-42.2173.874.1-102.4000112.1P147 S152 Y153P147-W149 HydrophobicContact CB-CG 4.32Å; P147-W149 PolarHBondContact O-N 3.07Å; P147-W149 VanDerWaalsContact O-N 3.09Å; W149-S152 PolarHBondContact O-N 3.43Å; W149-Y153 WeakPolarHBondContact O-CB 3.32Å; W149-Y153 PolarHBondContact O-N 2.81Å
150F82.8Confident76.1Confident85 Ų85117.9 Ų117.937%0.37358%0.579SS.*Hα-helixtrans-68.4-38.2178.3179.6-95.1000111.1P146 P147 Y153 M154P146-F150 HydrophobicContact CB-CD1 4.01Å; P147-F150 WeakPolarHBondContact O-CA 3.42Å; P147-F150 WeakPolarHBondContact O-CB 3.28Å; P147-F150 PolarHBondContact O-N 2.87Å; F150-Y153 PolarHBondContact O-N 3.19Å; F150-M154 HydrophobicContact CD1-CG 4.09Å; F150-M154 HydrophobicContact CE1-CG 3.62Å; F150-M154 HydrophobicContact CE2-CG 4.12Å; F150-M154 HydrophobicContact CE2-SD 4.39Å; F150-M154 HydrophobicContact CZ-CG 3.64Å; F150-M154 HydrophobicContact CZ-SD 4.06Å; F150-M154 WeakPolarHBondContact O-CB 3.47Å; F150-M154 WeakPolarHBondContact O-CG 3.29Å; F150-M154 PolarHBondContact O-N 3.35Å
151R87.9Confident78.5Confident119 Ų119111.9 Ų111.945%0.44956%0.557SS.*Hα-helixtrans-62.1-48.2172.2-75.1-179.7161.9-175.8-3.7111.8P145 P146 P147 Y153 M154 E155P145-R151 VanDerWaalsContact CB-NH2 3.29Å; P146-R151 HydrophobicContact CG-CG 4.36Å; P146-R151 WeakPolarHBondContact O-CD 3.38Å; P147-R151 PolarHBondContact O-N 3.28Å; R151-Y153 VanDerWaalsContact C-N 3.32Å; R151-Y153 PolarHBondContact O-N 3.47Å; R151-M154 PolarHBondContact O-N 3.28Å; R151-E155 VanDerWaalsContact O-CB 3.31Å; R151-E155 WeakPolarHBondContact O-CB 3.44Å; R151-E155 PolarHBondContact O-N 2.77Å
152S83.6Confident81Confident50 Ų50110 Ų11035%0.3554%0.543SS..Hα-helixtrans-64.4-34.7176.5-173.60000112.7M148 W149 K156M148-S152 WeakPolarHBondContact O-CB 3.4Å; M148-S152 PolarHBondContact O-N 3.23Å; W149-S152 PolarHBondContact O-N 3.43Å; S152-K156 WeakPolarHBondContact O-CB 3.31Å; S152-K156 VanDerWaalsContact O-CG 3.27Å; S152-K156 WeakPolarHBondContact O-CG 3.22Å; S152-K156 PolarHBondContact O-N 3.37Å
153Y90.6Very high83.4Confident136 Ų136109.4 Ų109.453%0.53353%0.534SS..Hα-helixtrans-64.7-49.5172.5178.3-97.2000111.8W149 F150 R151 E155 K156 F157W149-Y153 WeakPolarHBondContact O-CB 3.32Å; W149-Y153 PolarHBondContact O-N 2.81Å; F150-Y153 PolarHBondContact O-N 3.19Å; R151-Y153 VanDerWaalsContact C-N 3.32Å; R151-Y153 PolarHBondContact O-N 3.47Å; Y153-E155 PolarHBondContact O-N 3.02Å; Y153-K156 PolarHBondContact O-N 3.33Å; Y153-F157 WeakPolarHBondContact O-CB 3.41Å; Y153-F157 PolarHBondContact O-N 3.03Å
154M93Very high85.5Confident63 Ų63105.8 Ų105.831%0.3151%0.512SS..Hα-helixtrans-68-20.6178-72.6-55-47.400114F150 R151 F157 K158F150-M154 HydrophobicContact CD1-CG 4.09Å; F150-M154 HydrophobicContact CE1-CG 3.62Å; F150-M154 HydrophobicContact CE2-CG 4.12Å; F150-M154 HydrophobicContact CE2-SD 4.39Å; F150-M154 HydrophobicContact CZ-CG 3.64Å; F150-M154 HydrophobicContact CZ-SD 4.06Å; F150-M154 WeakPolarHBondContact O-CB 3.47Å; F150-M154 WeakPolarHBondContact O-CG 3.29Å; F150-M154 PolarHBondContact O-N 3.35Å; R151-M154 PolarHBondContact O-N 3.28Å; M154-F157 HydrophobicContact CE-CD1 4.39Å; M154-K158 VanDerWaalsContact O-CD 3.31Å; M154-K158 WeakPolarHBondContact O-CD 3.37Å; M154-K158 VanDerWaalsContact O-CG 3.22Å; M154-K158 WeakPolarHBondContact O-CG 3.12Å; M154-K158 PolarHBondContact O-N 3.41Å
155E88.4Confident87Confident123 Ų123102.1 Ų102.158%0.57550%0.495SS*.Hα-helixtrans-78.1-52.6172-166.8160.5-132.400109.9R151 Y153 F157 K158 D159R151-E155 VanDerWaalsContact O-CB 3.31Å; R151-E155 WeakPolarHBondContact O-CB 3.44Å; R151-E155 PolarHBondContact O-N 2.77Å; Y153-E155 PolarHBondContact O-N 3.02Å; E155-F157 PolarHBondContact O-N 3.41Å; E155-K158 WeakPolarHBondContact O-CB 3.29Å; E155-K158 PolarHBondContact O-N 2.97Å; E155-D159 PolarHBondContact O-N 3.23Å
156K85.8Confident87.8Confident137 Ų137102.5 Ų102.560%0.59650%0.495SS*.Hα-helixtrans-55.8-44.6173.5-73.3172.8-179.2-177.70113.3S152 Y153 K158 D159 E160S152-K156 WeakPolarHBondContact O-CB 3.31Å; S152-K156 VanDerWaalsContact O-CG 3.27Å; S152-K156 WeakPolarHBondContact O-CG 3.22Å; S152-K156 PolarHBondContact O-N 3.37Å; Y153-K156 PolarHBondContact O-N 3.33Å; K156-K158 VanDerWaalsContact C-N 3.28Å; K156-K158 PolarHBondContact O-N 3.31Å; K156-D159 PolarHBondContact O-N 3.04Å; K156-E160 VanDerWaalsContact O-CB 3.25Å; K156-E160 WeakPolarHBondContact O-CB 3.19Å; K156-E160 PolarHBondContact O-N 3.39Å
157F90.6Very high88.1Confident95 Ų95104 Ų10442%0.41750%0.497SS..Hα-helixtrans-63-34.4178.1-179.5-100.9000112.1Y153 M154 E155 V161Y153-F157 WeakPolarHBondContact O-CB 3.41Å; Y153-F157 PolarHBondContact O-N 3.03Å; M154-F157 HydrophobicContact CE-CD1 4.39Å; E155-F157 PolarHBondContact O-N 3.41Å; F157-V161 HydrophobicContact CD1-CG2 4.43Å; F157-V161 HydrophobicContact CE1-CG2 4.01Å; F157-V161 HydrophobicContact CE2-CG2 4.17Å; F157-V161 HydrophobicContact CZ-CG2 3.87Å; F157-V161 WeakPolarHBondContact O-CB 3.25Å; F157-V161 VanDerWaalsContact O-CG2 3.29Å; F157-V161 WeakPolarHBondContact O-CG2 3.42Å; F157-V161 PolarHBondContact O-N 3.34Å
158K86.3Confident88Confident130 Ų130106.4 Ų106.457%0.56550%0.496SS*.Hα-helixtrans-69.8-44.3172.3-74.5169.4-174.7176.60111.5M154 E155 K156 E160 V161 V162M154-K158 VanDerWaalsContact O-CD 3.31Å; M154-K158 WeakPolarHBondContact O-CD 3.37Å; M154-K158 VanDerWaalsContact O-CG 3.22Å; M154-K158 WeakPolarHBondContact O-CG 3.12Å; M154-K158 PolarHBondContact O-N 3.41Å; E155-K158 WeakPolarHBondContact O-CB 3.29Å; E155-K158 PolarHBondContact O-N 2.97Å; K156-K158 VanDerWaalsContact C-N 3.28Å; K156-K158 PolarHBondContact O-N 3.31Å; K158-E160 VanDerWaalsContact C-N 3.26Å; K158-E160 PolarHBondContact O-N 2.96Å; K158-V161 PolarHBondContact O-N 2.96Å; K158-V162 VanDerWaalsContact O-CB 3.25Å; K158-V162 WeakPolarHBondContact O-CB 3.44Å; K158-V162 WeakPolarHBondContact O-CG2 3.25Å; K158-V162 PolarHBondContact O-N 3.03Å
159D89.4Confident88.3Confident105 Ų105104 Ų10456%0.56149%0.485SS*.Hα-helixtrans-62.8-36.2177.4-66.5-21.5000111.5E155 K156 K163E155-D159 PolarHBondContact O-N 3.23Å; K156-D159 PolarHBondContact O-N 3.04Å; D159-K163 WeakPolarHBondContact O-CB 3.48Å; D159-K163 PolarHBondContact O-N 2.91Å
160E90.9Very high87.6Confident131 Ų13198.8 Ų98.861%0.61248%0.475SS*.Hα-helixtrans-69.1-48.5176.9-170.1159.3-137.700111.6K156 K158 V162 K163 E164K156-E160 VanDerWaalsContact O-CB 3.25Å; K156-E160 WeakPolarHBondContact O-CB 3.19Å; K156-E160 PolarHBondContact O-N 3.39Å; K158-E160 VanDerWaalsContact C-N 3.26Å; K158-E160 PolarHBondContact O-N 2.96Å; E160-V162 PolarHBondContact O-N 2.84Å; E160-K163 PolarHBondContact O-N 3.35Å; E160-E164 WeakPolarHBondContact O-CB 3.41Å; E160-E164 PolarHBondContact O-N 2.88Å
161V90.1Very high87.2Confident56 Ų5699.7 Ų99.734%0.33948%0.484SS..Hα-helixtrans-63.8-39.4173.3170.40000111.9F157 K158 E164 V165F157-V161 HydrophobicContact CD1-CG2 4.43Å; F157-V161 HydrophobicContact CE1-CG2 4.01Å; F157-V161 HydrophobicContact CE2-CG2 4.17Å; F157-V161 HydrophobicContact CZ-CG2 3.87Å; F157-V161 WeakPolarHBondContact O-CB 3.25Å; F157-V161 VanDerWaalsContact O-CG2 3.29Å; F157-V161 WeakPolarHBondContact O-CG2 3.42Å; F157-V161 PolarHBondContact O-N 3.34Å; K158-V161 PolarHBondContact O-N 2.96Å; V161-E164 PolarHBondContact O-N 2.9Å; V161-V165 HydrophobicContact CG1-CG2 4.45Å; V161-V165 WeakPolarHBondContact O-CB 3.42Å; V161-V165 VanDerWaalsContact O-CG2 3.29Å; V161-V165 WeakPolarHBondContact O-CG2 3Å; V161-V165 PolarHBondContact O-N 3.31Å
162V93.8Very high86.6Confident89 Ų8999 Ų9954%0.53949%0.49SS..Hα-helixtrans-65.9-42.9175.5167.20000110.6K158 E160 V165 V166K158-V162 VanDerWaalsContact O-CB 3.25Å; K158-V162 WeakPolarHBondContact O-CB 3.44Å; K158-V162 WeakPolarHBondContact O-CG2 3.25Å; K158-V162 PolarHBondContact O-N 3.03Å; E160-V162 PolarHBondContact O-N 2.84Å; V162-V165 PolarHBondContact O-N 3.12Å; V162-V166 HydrophobicContact CG1-CG2 4.42Å; V162-V166 WeakPolarHBondContact O-CB 3.5Å; V162-V166 VanDerWaalsContact O-CG2 3.26Å; V162-V166 WeakPolarHBondContact O-CG2 3.47Å; V162-V166 PolarHBondContact O-N 2.96Å
163K88.6Confident85.4Confident125 Ų125103.8 Ų103.854%0.54350%0.504SS..Hα-helixtrans-59.7-48.3173.4180-179.5178.2-68.90110.7D159 E160 V165 V166 E167D159-K163 WeakPolarHBondContact O-CB 3.48Å; D159-K163 PolarHBondContact O-N 2.91Å; E160-K163 PolarHBondContact O-N 3.35Å; K163-V165 PolarHBondContact O-N 3.3Å; K163-V166 PolarHBondContact O-N 2.9Å; K163-E167 IonicContact NZ-OE1 3.93Å; K163-E167 IonicContact NZ-OE2 2.85Å; K163-E167 PolarHBondContact NZ-OE2 2.81Å; K163-E167 WeakPolarHBondContact O-CB 3.47Å; K163-E167 PolarHBondContact O-N 3.42Å
164E92.6Very high83.8Confident94 Ų9499.9 Ų99.944%0.43950%0.497SS..Hα-helixtrans-61.4-41.6179.9-166-154.5115.500112.2E160 V161 R168E160-E164 WeakPolarHBondContact O-CB 3.41Å; E160-E164 PolarHBondContact O-N 2.88Å; V161-E164 PolarHBondContact O-N 2.9Å; E164-R168 WeakPolarHBondContact O-CB 3.2Å; E164-R168 PolarHBondContact O-N 3.29Å; E164-R168 IonicContact OE1-CZ 3.74Å; E164-R168 IonicContact OE1-NH1 2.64Å; E164-R168 PolarHBondContact OE1-NH1 3.28Å; E164-R168 IonicContact OE1-NH2 2.62Å; E164-R168 PolarHBondContact OE1-NH2 3.18Å
165V90.8Very high81.6Confident68 Ų6899.8 Ų99.841%0.41251%0.511SS..Hα-helixtrans-68.2-41.7176.1169.80000111.7V161 V162 K163 M169V161-V165 HydrophobicContact CG1-CG2 4.45Å; V161-V165 WeakPolarHBondContact O-CB 3.42Å; V161-V165 VanDerWaalsContact O-CG2 3.29Å; V161-V165 WeakPolarHBondContact O-CG2 3Å; V161-V165 PolarHBondContact O-N 3.31Å; V162-V165 PolarHBondContact O-N 3.12Å; K163-V165 PolarHBondContact O-N 3.3Å; V165-M169 HydrophobicContact CG1-SD 4.45Å; V165-M169 WeakPolarHBondContact O-CB 3.25Å; V165-M169 WeakPolarHBondContact O-CG 3.29Å; V165-M169 PolarHBondContact O-N 3.21Å
166V90.9Very high79.7Confident78 Ų78102.2 Ų102.247%0.47352%0.523SS..Hα-helixtrans-67.3-42.1176.4169.50000111.4V162 K163 M169 C170V162-V166 HydrophobicContact CG1-CG2 4.42Å; V162-V166 WeakPolarHBondContact O-CB 3.5Å; V162-V166 VanDerWaalsContact O-CG2 3.26Å; V162-V166 WeakPolarHBondContact O-CG2 3.47Å; V162-V166 PolarHBondContact O-N 2.96Å; K163-V166 PolarHBondContact O-N 2.9Å; V166-M169 PolarHBondContact O-N 3.15Å; V166-C170 WeakPolarHBondContact O-CB 3.48Å; V166-C170 PolarHBondContact O-N 3.18Å; V166-C170 PolarHBondContact O-SG 3.04Å; V166-C170 VanDerWaalsContact O-SG 3.34Å
167E85.8Confident77.2Confident96 Ų96100.8 Ų100.845%0.44953%0.529SS..Hα-helixtrans-68.4-38.7178.8-169.3162.5-159.400111.4K163 C170 N171K163-E167 IonicContact NZ-OE1 3.93Å; K163-E167 IonicContact NZ-OE2 2.85Å; K163-E167 PolarHBondContact NZ-OE2 2.81Å; K163-E167 WeakPolarHBondContact O-CB 3.47Å; K163-E167 PolarHBondContact O-N 3.42Å; E167-C170 PolarHBondContact O-N 2.94Å; E167-N171 WeakPolarHBondContact O-CB 3.33Å; E167-N171 PolarHBondContact O-N 3.16Å; E167-N171 PolarHBondContact O-ND2 2.67Å
168R84.5Confident74.4Confident123 Ų123100.9 Ų100.946%0.46454%0.54SS..Hα-helixtrans-60.5-50.3168.8-174.9-179.1-75.1105.9-11.5111.4E164 C170 N171 D172E164-R168 WeakPolarHBondContact O-CB 3.2Å; E164-R168 PolarHBondContact O-N 3.29Å; E164-R168 IonicContact OE1-CZ 3.74Å; E164-R168 IonicContact OE1-NH1 2.64Å; E164-R168 PolarHBondContact OE1-NH1 3.28Å; E164-R168 IonicContact OE1-NH2 2.62Å; E164-R168 PolarHBondContact OE1-NH2 3.18Å; R168-C170 VanDerWaalsContact C-N 3.34Å; R168-C170 PolarHBondContact O-N 3.49Å; R168-N171 PolarHBondContact O-N 3.1Å; R168-N171 VanDerWaalsContact O-N 3.14Å; R168-D172 VanDerWaalsContact O-CG 3.27Å; R168-D172 PolarHBondContact O-N 2.99Å
169M78.4Confident71.9Confident97 Ų97101 Ų10148%0.47855%0.553SS.*Hα-helixtrans-57.5-43.7174.8-78.4177.561.500112.5V165 V166 N171 D172 F173V165-M169 HydrophobicContact CG1-SD 4.45Å; V165-M169 WeakPolarHBondContact O-CB 3.25Å; V165-M169 WeakPolarHBondContact O-CG 3.29Å; V165-M169 PolarHBondContact O-N 3.21Å; V166-M169 PolarHBondContact O-N 3.15Å; M169-N171 VanDerWaalsContact C-N 3.32Å; M169-N171 PolarHBondContact O-N 3.27Å; M169-D172 PolarHBondContact O-N 2.96Å; M169-F173 HydrophobicContact CE-CE2 4.21Å; M169-F173 WeakPolarHBondContact O-CD2 3.3Å; M169-F173 PolarHBondContact O-N 2.89Å
170C74.1Confident69.2Low75 Ų75105 Ų10551%0.50757%0.567SS.*Hα-helixtrans-64.4-35.1177.6-750000112.4V166 E167 R168 S174V166-C170 WeakPolarHBondContact O-CB 3.48Å; V166-C170 PolarHBondContact O-N 3.18Å; V166-C170 PolarHBondContact O-SG 3.04Å; V166-C170 VanDerWaalsContact O-SG 3.34Å; E167-C170 PolarHBondContact O-N 2.94Å; R168-C170 VanDerWaalsContact C-N 3.34Å; R168-C170 PolarHBondContact O-N 3.49Å; C170-S174 VanDerWaalsContact O-CB 3.29Å; C170-S174 WeakPolarHBondContact O-CB 3.45Å; C170-S174 PolarHBondContact O-N 3.29Å; C170-S174 PolarHBondContact O-OG 3.35Å
171N75.7Confident66.2Low103 Ų103108.5 Ų108.555%0.55158%0.58SS**Hα-helixtrans-70.6-41.6172.9-74.1-23000112E167 R168 M169 F173 S174 G175E167-N171 WeakPolarHBondContact O-CB 3.33Å; E167-N171 PolarHBondContact O-N 3.16Å; E167-N171 PolarHBondContact O-ND2 2.67Å; R168-N171 PolarHBondContact O-N 3.1Å; R168-N171 VanDerWaalsContact O-N 3.14Å; M169-N171 VanDerWaalsContact C-N 3.32Å; M169-N171 PolarHBondContact O-N 3.27Å; N171-F173 PolarHBondContact O-N 3.4Å; N171-S174 WeakPolarHBondContact CA-OG 3.22Å; N171-S174 PolarHBondContact O-N 3.14Å; N171-S174 PolarHBondContact O-OG 2.85Å; N171-G175 PolarHBondContact O-N 2.84Å
172D74.2Confident63.6Low106 Ų106111 Ų11157%0.56760%0.6SS**Hα-helixtrans-61.8-43.1176.1-66.4-29.4000111.6R168 M169 Q176R168-D172 VanDerWaalsContact O-CG 3.27Å; R168-D172 PolarHBondContact O-N 2.99Å; M169-D172 PolarHBondContact O-N 2.96Å; D172-Q176 PolarHBondContact O-N 3.01Å
173F59.8Low60.4Low150 Ų150111.9 Ų111.966%0.65861%0.611SS**Hα-helixtrans-73.6-32.8177.6-80.1-65000114M169 N171M169-F173 HydrophobicContact CE-CE2 4.21Å; M169-F173 WeakPolarHBondContact O-CD2 3.3Å; M169-F173 PolarHBondContact O-N 2.89Å; N171-F173 PolarHBondContact O-N 3.4Å
174S55.9Low57.6Low54 Ų54113.1 Ų113.138%0.37862%0.623SS.*Hα-helixtrans-80-38.9177.856.10000112.7C170 N171 Q176 C177 C178C170-S174 VanDerWaalsContact O-CB 3.29Å; C170-S174 WeakPolarHBondContact O-CB 3.45Å; C170-S174 PolarHBondContact O-N 3.29Å; C170-S174 PolarHBondContact O-OG 3.35Å; N171-S174 WeakPolarHBondContact CA-OG 3.22Å; N171-S174 PolarHBondContact O-N 3.14Å; N171-S174 PolarHBondContact O-OG 2.85Å; S174-Q176 PolarHBondContact O-N 3.1Å; S174-Q176 VanDerWaalsContact O-N 3.16Å; S174-C177 PolarHBondContact O-N 3.25Å; S174-C178 PolarHBondContact O-N 3.46Å
175G47.9Very low54.4Low60 Ų60111.7 Ų111.762%0.61963%0.634SS**Hα-helixtrans-60.1-22172.900000113.7N171 C177N171-G175 PolarHBondContact O-N 2.84Å; G175-C177 VanDerWaalsContact C-N 3.34Å
176Q46.8Very low51.4Low174 Ų174115.2 Ų115.281%0.81365%0.65SS**THydrogen-bonded Turntrans-78.9-11.7173.7-151102.4114.700114.2D172 S174D172-Q176 PolarHBondContact O-N 3.01Å; S174-Q176 PolarHBondContact O-N 3.1Å; S174-Q176 VanDerWaalsContact O-N 3.16Å
177C34.4Very low48.4Very low107 Ų107119.2 Ų119.272%0.72366%0.663SS**THydrogen-bonded Turntrans-118.6-14.1-173.3-75.30000114.9S174 G175 T179S174-C177 PolarHBondContact O-N 3.25Å; G175-C177 VanDerWaalsContact C-N 3.34Å; C177-T179 PolarHBondContact O-N 2.71Å
178C32.4Very low45.8Very low97 Ų97120.8 Ų120.866%0.65567%0.671SS**  trans-85.391.3-179.8-71.50000112.6S174 H180S174-C178 PolarHBondContact O-N 3.46Å; C178-H180 PolarHBondContact O-N 2.64Å
179T33.7Very low43.1Very low134 Ų134121.7 Ų121.782%0.82268%0.684SS**  trans-64.9130.3158.544.30000109.7C177 K181C177-T179 PolarHBondContact O-N 2.71Å; T179-K181 PolarHBondContact O-N 3.37Å; T179-K181 VanDerWaalsContact O-N 3.11Å
180H32.3Very low40.6Very low187 Ų187122.3 Ų122.387%0.86670%0.697SS**  trans-62115.2179-83.1-103.2000111.1C178C178-H180 PolarHBondContact O-N 2.64Å
181K28.4Very low38.4Very low206 Ų206122 Ų12290%0.89671%0.706SS**  trans-92.2118.9147.8-82.9-168.8171.2-172.40108T179T179-K181 PolarHBondContact O-N 3.37Å; T179-K181 VanDerWaalsContact O-N 3.11Å
182S35.5Very low36.5Very low108 Ų108121.5 Ų121.576%0.75572%0.717SS**  trans-95124177.251.20000111.5
183S26.6Very low34.5Very low108 Ų108123.3 Ų123.376%0.75573%0.725SS**  trans-177.6147.1162.7-910000107.5
184D29.5Very low33Very low150 Ų150125.4 Ų125.480%0.80274%0.737SS**  cis-163.1168.6-14.5-119-56.4000110.8
185G24.8Very low31.7Very low65 Ų65126.1 Ų126.167%0.6775%0.753SS**  trans143.575.8178.700000113.3
186L28.5Very low31.6Very low142 Ų142129 Ų12974%0.74376%0.761SS**  72.1135.375.2-145.876.7000111.4
187Q28.1Very low30.8Very low161 Ų161129 Ų12975%0.75276%0.764SS**  cis-137.9164.230.5-65.4-178.1-104.300114
188E31.2Very low30.3Very low130 Ų130127 Ų12761%0.60776%0.761SS**  cis-94.3-92.8-14.2-73.4-75.274.800109.7
189D26.4Very low30.6Very low141 Ų141128.6 Ų128.675%0.75477%0.771SS**  cis-161.8146.5-11.4-168.348.3000107.6
190C26.2Very low30.2Very low111 Ų111133.3 Ų133.375%0.7577%0.774SS**  cis-135.3-164.63-154.70000111
191G28.5Very low30.7Very low67 Ų67129.9 Ų129.969%0.69177%0.768SS**  trans-76.7165.6176.800000114.9
192A36.2Very low30.5Very low94 Ų94123.6 Ų123.678%0.77776%0.761SS**  cis-165.1-165.5-2.500000107.7
193I31.2Very low31Very low144 Ų144124.4 Ų124.474%0.73876%0.764SS**  cis-154.4148.412.9-37.9157.9000108.3
194E27.9Very low31Very low193 Ų193125.4 Ų125.490%0.90277%0.771SS**  trans60.3154.8167.1-76.9155.7-140.900117.7
195G30Very low31.3Very low70 Ų70125 Ų12572%0.72277%0.774SS**  cis-160.9173.7-2.400000111.2
196P45.3Very low31.5Very low120 Ų120127.7 Ų127.778%0.77978%0.783SS**  trans-111164-150.939.9-36000118.1
197I30.2Very low31.8Very low174 Ų174129.2 Ų129.289%0.89279%0.792SS**  trans165.3146.3134.4-85.6157000112.2
198G23.9Very low31.9Very low64 Ų64125 Ų12566%0.6679%0.792SS**  trans-115.6-161.6171.300000112.9
199P37.8Very low31.8Very low132 Ų132124 Ų12486%0.85780%0.799SS**  cis-142.4-160.816.744-22.7000116.5
200R25.9Very low32.3Very low232 Ų232124.6 Ų124.688%0.87580%0.802SS**  trans-54.7179170.8-106-178.6171.6-135.42.1116.2
201P41.7Very low32.9Very low116 Ų116123.1 Ų123.175%0.75381%0.805SS**  cis-137.8177.6-17.138.9-21.1000116
202G25.1Very low34Very low73 Ų73130.5 Ų130.575%0.75381%0.814SS**  trans168.1138.2161.100000116.1
203P45.9Very low35Very low126 Ų126128.6 Ų128.682%0.81879%0.793SS**  trans-112.7161.6-177.440.5-33.2000115.4
204S26.1Very low37.1Very low128 Ų128124 Ų12490%0.89577%0.772SS**  trans-164.8149.6153.5-83.40000112.5
205T36.6Very low39.8Very low142 Ų142118.7 Ų118.787%0.87175%0.75SS**  trans-107141.917848.80000112.2
206S29.5Very low42.4Very low122 Ų122115.4 Ų115.485%0.85372%0.716SS**  trans-155.5153.7158.857.80000112.2
207N33.4Very low44.3Very low173 Ų173112.6 Ų112.693%0.92570%0.699SS**  trans-92.4152-179.6-71.2-18.3000111.8
208G30.6Very low46.7Very low74 Ų74108.1 Ų108.176%0.76368%0.68SS**  trans126.9108.9148.900000117.4
209S30Very low49.6Very low107 Ų107107.1 Ų107.175%0.74866%0.662SS**  trans-163.1112.6151.8-86.30000108.7
210L35.5Very low51.6Low155 Ų155106.6 Ų106.681%0.81265%0.652SS**  74.711592.4-71.8172.4000113.3Y212L210-Y212 PolarHBondContact O-N 3.38Å
211G38.6Very low54.1Low80 Ų80101.9 Ų101.983%0.82564%0.638SS**  trans-71.4124.7178.800000112.3T213G211-T213 PolarHBondContact O-N 3.04Å
212Y51.8Low55.8Low221 Ų221101.5 Ų101.587%0.86763%0.629SS**  trans-70114.5179.1-92.9-102.1000111.9L210L210-Y212 PolarHBondContact O-N 3.38Å
213T57.6Low58Low55 Ų5598.3 Ų98.334%0.33760%0.595SS.*PPolyproline II helixtrans-90.5125.815449.50000108G211G211-T213 PolarHBondContact O-N 3.04Å
214P76.3Confident58.7Low47 Ų4796.6 Ų96.631%0.30559%0.586SS.*PPolyproline II helixtrans-69.8145-17527-34.4000111.8T223 A227 I237P214-T223 VanDerWaalsContact O-CB 3.25Å; P214-T223 WeakPolarHBondContact O-CB 3.44Å; P214-T223 PolarHBondContact O-N 3.34Å; P214-T223 VanDerWaalsContact O-N 3.15Å; P214-T223 PolarHBondContact O-OG1 3.3Å; P214-A227 HydrophobicContact CG-CB 4.2Å; P214-I237 HydrophobicContact CB-CD1 3.73Å; P214-I237 HydrophobicContact CB-CG2 4.2Å; P214-I237 HydrophobicContact CG-CD1 4.07Å; P214-I237 HydrophobicContact CG-CG2 3.96Å
215N83.1Confident60.1Low82 Ų8297.8 Ų97.844%0.43958%0.577SS.*BIsolated β-bridgetrans-71.2143.3169.7-61.471.2000110.5S217 N220 K221N215-S217 PolarHBondContact O-N 2.89Å; N215-N220 PolarHBondContact ND2-O 3.42Å; N215-K221 WeakPolarHBondContact CA-O 3.34Å
216C85.2Confident61.5Low0 Ų091.2 Ų91.20%054%0.538CS..PPolyproline II helixtrans-71.1122.7173.9169.90000110.9T218 C219 N220 K221 T223 I237 C239C216-T218 PolarHBondContact O-N 3.38Å; C216-C219 PolarHBondContact O-N 2.99Å; C216-N220 VanDerWaalsContact O-CA 3.22Å; C216-N220 WeakPolarHBondContact O-CA 3.37Å; C216-N220 PolarHBondContact O-N 3.45Å; C216-K221 PolarHBondContact N-O 3.04Å; C216-T223 PolarHBondContact N-OG1 3.34Å; C216-I237 CarbonylContact C-O 3.58Å; C216-I237 VanDerWaalsContact CA-O 3.27Å; C216-I237 WeakPolarHBondContact CA-O 3.5Å; C216-C239 HydrophobicContact CB-CB 4.13Å; C216-C239 PolarHBondContact SG-N 3.43Å; C216-C239 VanDerWaalsContact SG-N 3.44Å
217S85.1Confident64Low61 Ų6185.6 Ų85.643%0.42750%0.499SS..THydrogen-bonded Turntrans-58.7-19.5-176.8-47.40000114.7N215 S235 I237N215-S217 PolarHBondContact O-N 2.89Å; S217-S235 PolarHBondContact OG-O 2.88Å; S217-I237 PolarHBondContact N-O 2.63Å; S217-I237 PolarHBondContact OG-N 3.23Å; S217-I237 PolarHBondContact OG-O 3.17Å
218T81.1Confident66.5Low80 Ų8078.5 Ų78.549%0.49146%0.46SS..THydrogen-bonded Turntrans-96.7-30.7-178.3-51.10000113.5C216 L238 C242C216-T218 PolarHBondContact O-N 3.38Å; T218-L238 WeakPolarHBondContact OG1-CD2 3.5Å; T218-C242 HydrophobicContact CG2-CB 4.45Å
219C83.9Confident69.1Low43 Ų4379.7 Ų79.729%0.29144%0.444SS..THydrogen-bonded Turntrans-127.20.4-17571.60000114.8C216 K221 C242C216-C219 PolarHBondContact O-N 2.99Å; C219-K221 PolarHBondContact O-N 2.8Å; C219-C242 VanDerWaalsContact SG-SG 3.69Å
220N80.3Confident71.8Confident122 Ų12274.8 Ų74.865%0.65241%0.41SS*.  trans54.67.2-178.4-65.5-26.4000116.3N215 C216N215-N220 PolarHBondContact ND2-O 3.42Å; C216-N220 VanDerWaalsContact O-CA 3.22Å; C216-N220 WeakPolarHBondContact O-CA 3.37Å; C216-N220 PolarHBondContact O-N 3.45Å
221K79.4Confident74Confident133 Ų13370.7 Ų70.758%0.57839%0.394SS*.  trans-74.3148174.5-57.9-176.3-170.5-61.20110.8N215 C216 C219N215-K221 WeakPolarHBondContact CA-O 3.34Å; C216-K221 PolarHBondContact N-O 3.04Å; C219-K221 PolarHBondContact O-N 2.8Å
222L76.3Confident75.9Confident107 Ų10770.9 Ų70.956%0.5638%0.379SS*.BIsolated β-bridgetrans-61.9137.6172.6-69.2168.8000110.5S224L222-S224 VanDerWaalsContact C-N 3.33Å; L222-S224 PolarHBondContact O-N 3.19Å
223T71.4Confident77.4Confident7 Ų762.1 Ų62.14%0.04335%0.349CS..  trans-95.357.9-171.5-41.30000112.2P214 C216 E225 G226 A227 C239P214-T223 VanDerWaalsContact O-CB 3.25Å; P214-T223 WeakPolarHBondContact O-CB 3.44Å; P214-T223 PolarHBondContact O-N 3.34Å; P214-T223 VanDerWaalsContact O-N 3.15Å; P214-T223 PolarHBondContact O-OG1 3.3Å; C216-T223 PolarHBondContact N-OG1 3.34Å; T223-E225 VanDerWaalsContact C-N 3.35Å; T223-E225 PolarHBondContact O-N 2.94Å; T223-G226 PolarHBondContact O-N 2.81Å; T223-A227 VanDerWaalsContact CG2-CA 3.47Å; T223-A227 HydrophobicContact CG2-CB 3.57Å; T223-C239 HydrophobicContact CG2-CB 3.79Å
224S60.5Low78.1Confident90 Ų9064.7 Ų64.763%0.62937%0.367SS*.THydrogen-bonded Turntrans-64.5-27.1-168.351.40000115.8L222L222-S224 VanDerWaalsContact C-N 3.33Å; L222-S224 PolarHBondContact O-N 3.19Å
225E56.6Low78Confident152 Ų15267.4 Ų67.471%0.7139%0.387SS*.THydrogen-bonded Turntrans-94.58.7-176.6-61.8-175.914200113.4T223 R254T223-E225 VanDerWaalsContact C-N 3.35Å; T223-E225 PolarHBondContact O-N 2.94Å; E225-R254 PolarHBondContact O-NH2 2.6Å
226G66.3Low78.1Confident4 Ų464.3 Ų64.34%0.04137%0.371CS..  trans111.4129.8179.100000111.9T223T223-G226 PolarHBondContact O-N 2.81Å
227A82.1Confident78.1Confident5 Ų566.2 Ų66.24%0.04138%0.381CS..EExtended strand (participates in β ladder)trans-96.5149.1-172.700000113P214 T223 I237 R254 T255P214-A227 HydrophobicContact CG-CB 4.2Å; T223-A227 VanDerWaalsContact CG2-CA 3.47Å; T223-A227 HydrophobicContact CG2-CB 3.57Å; A227-I237 HydrophobicContact CB-CG2 3.71Å; A227-R254 CarbonylContact O-C 3.41Å; A227-R254 VanDerWaalsContact O-CA 3.32Å; A227-R254 WeakPolarHBondContact O-CA 3.44Å; A227-T255 PolarHBondContact O-N 2.71Å; A227-T255 PolarHBondContact O-OG1 3.38Å; A227-T255 VanDerWaalsContact O-OG1 3.08Å
228Y84.8Confident78.1Confident24 Ų2463.3 Ų63.39%0.09436%0.361CS..EExtended strand (participates in β ladder)trans-108.5106.2176.9-74.8-95.6000108.9I237 L238 E240 R243 L252 V253 R254Y228-I237 CarbonylContact O-C 3.54Å; Y228-I237 WeakPolarHBondContact O-CA 3.42Å; Y228-L238 PolarHBondContact N-O 3.28Å; Y228-L238 PolarHBondContact O-N 3.06Å; Y228-E240 PolarHBondContact OH-OE1 2.91Å; Y228-E240 PolarHBondContact OH-OE2 3.49Å; Y228-R243 HydrophobicContact CG-CB 4.45Å; Y228-L252 HydrophobicContact CD1-CB 4.04Å; Y228-V253 WeakPolarHBondContact CA-O 3.2Å; Y228-R254 HydrophobicContact CD1-CB 4.18Å; Y228-R254 HydrophobicContact CE1-CB 3.86Å; Y228-R254 HydrophobicContact CE1-CG 4.26Å; Y228-R254 HydrophobicContact CE2-CG 4.13Å; Y228-R254 PolarHBondContact OH-NH1 2.66Å
229K86.3Confident78.4Confident99 Ų9960.1 Ų60.143%0.4334%0.342SS..EExtended strand (participates in β ladder)trans-84.5133.6172.8-171.9174.9179.9177.80109.6P234 V253 T255K229-P234 VanDerWaalsContact CE-O 3.28Å; K229-P234 WeakPolarHBondContact CE-O 3.23Å; K229-P234 PolarHBondContact NZ-O 3.35Å; K229-V253 PolarHBondContact N-O 3.03Å; K229-V253 PolarHBondContact O-N 3Å; K229-T255 HydrophobicContact CB-CG2 4.41Å
230C85.4Confident78.4Confident4 Ų460.6 Ų60.63%0.02734%0.34CS..EExtended strand (participates in β ladder)trans-73.4137.1171-171.70000111.1V232 C233 C236 H246 L252C230-V232 PolarHBondContact SG-N 3.24Å; C230-C233 HydrophobicContact CB-CB 3.91Å; C230-C233 PolarHBondContact SG-N 3.44Å; C230-C236 HydrophobicContact CB-CB 3.87Å; C230-C236 PolarHBondContact N-O 2.96Å; C230-H246 VanDerWaalsContact SG-CE1 3.59Å; C230-L252 HydrophobicContact CB-CD2 3.91Å
231S81.2Confident78.4Confident69 Ų6961.2 Ų61.248%0.48334%0.341SS..SBendtrans-72.6-33.1173.356.90000113.1S251S231-S251 WeakPolarHBondContact CB-OG 3.46Å; S231-S251 PolarHBondContact N-O 2.87Å; S231-S251 PolarHBondContact OG-O 2.86Å; S231-S251 PolarHBondContact OG-OG 2.73Å
232V80.4Confident78.5Confident83 Ų8355.6 Ų55.650%0.50332%0.318SS..SBendtrans-92.3-37.1-174.1-173.40000112.3C230 P234 H250C230-V232 PolarHBondContact SG-N 3.24Å; V232-P234 WeakPolarHBondContact O-CD 3.2Å; V232-H250 HydrophobicContact CB-CB 4.39Å; V232-H250 HydrophobicContact CG2-CB 4.12Å
233C82.9Confident78.9Confident37 Ų3754.7 Ų54.725%0.2531%0.307CS..SBendtrans-97.8103.4-178.6-60.80000110.2C230 S235 C236 H250C230-C233 HydrophobicContact CB-CB 3.91Å; C230-C233 PolarHBondContact SG-N 3.44Å; C233-S235 PolarHBondContact O-N 2.94Å; C233-C236 HydrophobicContact CB-CB 3.48Å; C233-C236 VanDerWaalsContact CB-CB 3.48Å; C233-C236 PolarHBondContact O-N 3.02Å; C233-H250 VanDerWaalsContact SG-CE1 3.54Å; C233-H250 PolarHBondContact SG-ND1 2.85Å
234P71.9Confident79.2Confident110 Ų11060.6 Ų60.671%0.71433%0.333SS*.THydrogen-bonded Turntrans-60.7-27-164.4-27.136.7000115.7K229 V232K229-P234 VanDerWaalsContact CE-O 3.28Å; K229-P234 WeakPolarHBondContact CE-O 3.23Å; K229-P234 PolarHBondContact NZ-O 3.35Å; V232-P234 WeakPolarHBondContact O-CD 3.2Å
235S73.9Confident79.9Confident104 Ų10460.2 Ų60.273%0.72733%0.331SS*.THydrogen-bonded Turntrans-105.7-0.8-178.654.90000114.6S217 C233S217-S235 PolarHBondContact OG-O 2.88Å; C233-S235 PolarHBondContact O-N 2.94Å
236C84.3Confident81.1Confident16 Ų1654.6 Ų54.611%0.10831%0.305CS..  trans-85.8119.3-175.4-168.80000111.9C230 C233C230-C236 HydrophobicContact CB-CB 3.87Å; C230-C236 PolarHBondContact N-O 2.96Å; C233-C236 HydrophobicContact CB-CB 3.48Å; C233-C236 VanDerWaalsContact CB-CB 3.48Å; C233-C236 PolarHBondContact O-N 3.02Å
237I85.6Confident81.6Confident41 Ų4158.3 Ų58.321%0.2132%0.323CS..EExtended strand (participates in β ladder)trans-126.3128.8176.6-59.1179.6000107.9P214 C216 S217 A227 Y228P214-I237 HydrophobicContact CB-CD1 3.73Å; P214-I237 HydrophobicContact CB-CG2 4.2Å; P214-I237 HydrophobicContact CG-CD1 4.07Å; P214-I237 HydrophobicContact CG-CG2 3.96Å; C216-I237 CarbonylContact C-O 3.58Å; C216-I237 VanDerWaalsContact CA-O 3.27Å; C216-I237 WeakPolarHBondContact CA-O 3.5Å; S217-I237 PolarHBondContact N-O 2.63Å; S217-I237 PolarHBondContact OG-N 3.23Å; S217-I237 PolarHBondContact OG-O 3.17Å; A227-I237 HydrophobicContact CB-CG2 3.71Å; Y228-I237 CarbonylContact O-C 3.54Å; Y228-I237 WeakPolarHBondContact O-CA 3.42Å
238L86.3Confident81.3Confident0 Ų064.3 Ų64.30%036%0.362CS..EExtended strand (participates in β ladder)trans-123.3148.7-172.6-57.2173.1000111.7T218 Y228 C242 H246 L252T218-L238 WeakPolarHBondContact OG1-CD2 3.5Å; Y228-L238 PolarHBondContact N-O 3.28Å; Y228-L238 PolarHBondContact O-N 3.06Å; L238-C242 HydrophobicContact CB-CB 4.41Å; L238-C242 HydrophobicContact CD2-CB 4.16Å; L238-H246 HydrophobicContact CD1-CB 3.48Å; L238-H246 VanDerWaalsContact CD1-CB 3.48Å; L238-L252 HydrophobicContact CD1-CD1 3.93Å; L238-L252 HydrophobicContact CD1-CD2 3.94Å
239C86.1Confident80.8Confident13 Ų1367.6 Ų67.69%0.08839%0.389CS..  trans-86.9168.7167.168.20000112C216 T223 M241 C242 R243C216-C239 HydrophobicContact CB-CB 4.13Å; C216-C239 PolarHBondContact SG-N 3.43Å; C216-C239 VanDerWaalsContact SG-N 3.44Å; T223-C239 HydrophobicContact CG2-CB 3.79Å; C239-M241 PolarHBondContact O-N 3.39Å; C239-M241 VanDerWaalsContact O-N 3.1Å; C239-C242 PolarHBondContact O-N 2.98Å; C239-R243 PolarHBondContact O-N 3.22Å
240E83.6Confident80.7Confident53 Ų5365.1 Ų65.125%0.24838%0.378CS..THydrogen-bonded Turntrans-54.8-28.2-179.2-168.272.7-106.800113.8Y228 R243 H244 R254Y228-E240 PolarHBondContact OH-OE1 2.91Å; Y228-E240 PolarHBondContact OH-OE2 3.49Å; E240-R243 WeakPolarHBondContact O-CG 3.36Å; E240-R243 VanDerWaalsContact OE1-CD 3.23Å; E240-R243 WeakPolarHBondContact OE1-CD 3.2Å; E240-R243 IonicContact OE1-CZ 2.63Å; E240-R243 IonicContact OE1-NE 3.76Å; E240-R243 IonicContact OE1-NH1 3.27Å; E240-R243 PolarHBondContact OE1-NH1 3.04Å; E240-H244 PolarHBondContact O-ND1 2.94Å; E240-R254 IonicContact OE2-CZ 2.99Å; E240-R254 IonicContact OE2-NH1 3.07Å; E240-R254 PolarHBondContact OE2-NH1 3.14Å; E240-R254 IonicContact OE2-NH2 2.75Å; E240-R254 PolarHBondContact OE2-NH2 2.7Å
241M80.5Confident80.4Confident135 Ų13568.4 Ų68.467%0.66540%0.402SS*.THydrogen-bonded Turntrans-79.6-44.8171.7-6090.98900112.5C239 R243C239-M241 PolarHBondContact O-N 3.39Å; C239-M241 VanDerWaalsContact O-N 3.1Å; M241-R243 PolarHBondContact O-N 3.04Å
242C83.2Confident80.6Confident14 Ų1467.3 Ų67.310%0.09539%0.39CS..G310 helixtrans-78.1-14.2-172.9-66.10000115T218 C219 L238 C239 H244 S245T218-C242 HydrophobicContact CG2-CB 4.45Å; C219-C242 VanDerWaalsContact SG-SG 3.69Å; L238-C242 HydrophobicContact CB-CB 4.41Å; L238-C242 HydrophobicContact CD2-CB 4.16Å; C239-C242 PolarHBondContact O-N 2.98Å; C242-H244 PolarHBondContact O-N 3.25Å; C242-S245 WeakPolarHBondContact CA-OG 3.29Å; C242-S245 PolarHBondContact O-N 3.21Å; C242-S245 VanDerWaalsContact O-N 3.15Å; C242-S245 PolarHBondContact O-OG 3.24Å
243R83.3Confident80.8Confident89 Ų8967.8 Ų67.834%0.33639%0.393SS..G310 helixtrans-57.2-25.5171.756172.5-84.2-131.9-10.6113.9Y228 C239 E240 M241 L252Y228-R243 HydrophobicContact CG-CB 4.45Å; C239-R243 PolarHBondContact O-N 3.22Å; E240-R243 WeakPolarHBondContact O-CG 3.36Å; E240-R243 VanDerWaalsContact OE1-CD 3.23Å; E240-R243 WeakPolarHBondContact OE1-CD 3.2Å; E240-R243 IonicContact OE1-CZ 2.63Å; E240-R243 IonicContact OE1-NE 3.76Å; E240-R243 IonicContact OE1-NH1 3.27Å; E240-R243 PolarHBondContact OE1-NH1 3.04Å; M241-R243 PolarHBondContact O-N 3.04Å; R243-L252 HydrophobicContact CB-CD1 3.59Å
244H77.1Confident80.8Confident130 Ų13071.5 Ų71.560%0.60240%0.402SS*.G310 helixtrans-88.5-12.2-179.4-56.1103.3000113.6E240 C242E240-H244 PolarHBondContact O-ND1 2.94Å; C242-H244 PolarHBondContact O-N 3.25Å
245S75.9Confident80.8Confident83 Ų8369.4 Ų69.458%0.5839%0.387SS*.SBendtrans-1039.117854.90000113.2C242C242-S245 WeakPolarHBondContact CA-OG 3.29Å; C242-S245 PolarHBondContact O-N 3.21Å; C242-S245 VanDerWaalsContact O-N 3.15Å; C242-S245 PolarHBondContact O-OG 3.24Å
246H81.3Confident80Confident33 Ų3374 Ų7415%0.15339%0.394CS..SBendtrans-102.9161.5175-176-84.4000109.8C230 L238 P248 H250C230-H246 VanDerWaalsContact SG-CE1 3.59Å; L238-H246 HydrophobicContact CD1-CB 3.48Å; L238-H246 VanDerWaalsContact CD1-CB 3.48Å; H246-P248 WeakPolarHBondContact O-CD 3.43Å; H246-H250 AromaticContact CE1-CG 3.78Å; H246-H250 AromaticContact CE1-ND1 3.41Å; H246-H250 PolarHBondContact CE1-ND1 2.92Å
247D76.6Confident78Confident82 Ų8277 Ų7744%0.43941%0.412SS..  trans-53.3120.7179.7-164-50.4000111.6S249 H250D247-S249 VanDerWaalsContact CG-OG 3.31Å; D247-S249 PolarHBondContact O-N 2.89Å; D247-S249 VanDerWaalsContact OD1-CB 3.28Å; D247-S249 WeakPolarHBondContact OD1-CB 3.25Å; D247-S249 PolarHBondContact OD1-N 2.86Å; D247-S249 PolarHBondContact OD1-OG 3.07Å; D247-H250 PolarHBondContact O-N 2.76Å
248P76.2Confident75.7Confident131 Ų13180.5 Ų80.585%0.85144%0.437SS*.THydrogen-bonded Turntrans-65.6-17.1179.6-23.234.8000115.1H246 H250H246-P248 WeakPolarHBondContact O-CD 3.43Å; P248-H250 VanDerWaalsContact C-N 3.29Å
249S74.5Confident73Confident94 Ų9488.6 Ų88.666%0.65748%0.48SS*.THydrogen-bonded Turntrans-76-17.5176.568.80000113.1D247D247-S249 VanDerWaalsContact CG-OG 3.31Å; D247-S249 PolarHBondContact O-N 2.89Å; D247-S249 VanDerWaalsContact OD1-CB 3.28Å; D247-S249 WeakPolarHBondContact OD1-CB 3.25Å; D247-S249 PolarHBondContact OD1-N 2.86Å; D247-S249 PolarHBondContact OD1-OG 3.07Å
250H84.8Confident70.4Confident46 Ų4693 Ų9321%0.21351%0.511CS..SBendtrans-92.3123.5-179.6-69.6-164.4000111.1V232 C233 H246 D247 P248V232-H250 HydrophobicContact CB-CB 4.39Å; V232-H250 HydrophobicContact CG2-CB 4.12Å; C233-H250 VanDerWaalsContact SG-CE1 3.54Å; C233-H250 PolarHBondContact SG-ND1 2.85Å; H246-H250 AromaticContact CE1-CG 3.78Å; H246-H250 AromaticContact CE1-ND1 3.41Å; H246-H250 PolarHBondContact CE1-ND1 2.92Å; D247-H250 PolarHBondContact O-N 2.76Å; P248-H250 VanDerWaalsContact C-N 3.29Å
251S79.2Confident67.7Low74 Ų7498 Ų9852%0.51754%0.538SS..  trans-72.3136.2178.460.20000112.4S231S231-S251 WeakPolarHBondContact CB-OG 3.46Å; S231-S251 PolarHBondContact N-O 2.87Å; S231-S251 PolarHBondContact OG-O 2.86Å; S231-S251 PolarHBondContact OG-OG 2.73Å
252L85.5Confident65.2Low45 Ų4596.6 Ų96.624%0.23654%0.538CS..EExtended strand (participates in β ladder)trans-113.6117.8-176.9-61.8-178.7000110.5Y228 C230 L238 R243Y228-L252 HydrophobicContact CD1-CB 4.04Å; C230-L252 HydrophobicContact CB-CD2 3.91Å; L238-L252 HydrophobicContact CD1-CD1 3.93Å; L238-L252 HydrophobicContact CD1-CD2 3.94Å; R243-L252 HydrophobicContact CB-CD1 3.59Å
253V84.5Confident62.7Low93 Ų93105 Ų10556%0.56458%0.576SS**EExtended strand (participates in β ladder)trans-99.7120.7-178.2-177.90000109.9Y228 K229 T255Y228-V253 WeakPolarHBondContact CA-O 3.2Å; K229-V253 PolarHBondContact N-O 3.03Å; K229-V253 PolarHBondContact O-N 3Å; V253-T255 PolarHBondContact O-N 2.84Å
254R81.8Confident60.2Low115 Ų115110 Ų11043%0.43460%0.603SS.*EExtended strand (participates in β ladder)trans-74.5109.7176.1-166.3-176.4-171.1129.20.3110.3E225 A227 Y228 E240 K256E225-R254 PolarHBondContact O-NH2 2.6Å; A227-R254 CarbonylContact O-C 3.41Å; A227-R254 VanDerWaalsContact O-CA 3.32Å; A227-R254 WeakPolarHBondContact O-CA 3.44Å; Y228-R254 HydrophobicContact CD1-CB 4.18Å; Y228-R254 HydrophobicContact CE1-CB 3.86Å; Y228-R254 HydrophobicContact CE1-CG 4.26Å; Y228-R254 HydrophobicContact CE2-CG 4.13Å; Y228-R254 PolarHBondContact OH-NH1 2.66Å; E240-R254 IonicContact OE2-CZ 2.99Å; E240-R254 IonicContact OE2-NH1 3.07Å; E240-R254 PolarHBondContact OE2-NH1 3.14Å; E240-R254 IonicContact OE2-NH2 2.75Å; E240-R254 PolarHBondContact OE2-NH2 2.7Å; R254-K256 PolarHBondContact O-N 3.4Å
255T72.5Confident57.8Low67 Ų67107.5 Ų107.541%0.41161%0.612SS.*EExtended strand (participates in β ladder)trans-69.4121.3171.859.40000109.2A227 K229 V253 T257A227-T255 PolarHBondContact O-N 2.71Å; A227-T255 PolarHBondContact O-OG1 3.38Å; A227-T255 VanDerWaalsContact O-OG1 3.08Å; K229-T255 HydrophobicContact CB-CG2 4.41Å; V253-T255 PolarHBondContact O-N 2.84Å; T255-T257 PolarHBondContact O-N 3.41Å
256K56.3Low55.6Low201 Ų201113 Ų11387%0.87463%0.631SS**PPolyproline II helixtrans-67.7124.9174.3-65.9177.8-178.2174.60109.3R254R254-K256 PolarHBondContact O-N 3.4Å
257T43.8Very low53Low77 Ų77117.6 Ų117.647%0.47267%0.667SS.*PPolyproline II helixtrans-59.9127.7171.6-40.90000109.2T255 L259T255-T257 PolarHBondContact O-N 3.41Å; T257-L259 PolarHBondContact O-N 3.3Å
258P36.5Very low50.6Low115 Ų115118.4 Ų118.475%0.74769%0.685SS**PPolyproline II helixtrans-65.7123.517526.6-32.9000109.4S260P258-S260 PolarHBondContact O-N 3.49Å; P258-S260 VanDerWaalsContact O-N 3.14Å
259L30.1Very low48.3Very low170 Ų170117.6 Ų117.689%0.8968%0.683SS**  trans-7798.4177.8-68173.3000109.5T257T257-L259 PolarHBondContact O-N 3.3Å
260S31.3Very low46.3Very low107 Ų107119.5 Ų119.575%0.74869%0.69SS**  trans-64.3130169.252.90000110.7P258 P262P258-S260 PolarHBondContact O-N 3.49Å; P258-S260 VanDerWaalsContact O-N 3.14Å; S260-P262 WeakPolarHBondContact O-CD 3.46Å
261I26.8Very low43.7Very low158 Ų158124 Ų12481%0.8172%0.715SS**  trans-65.9128.1177.8-60.7168.1000109.4E263I261-E263 PolarHBondContact O-N 2.92Å
262P28.7Very low41.3Very low104 Ų104127 Ų12768%0.67573%0.725SS**  trans-77.8105.2174.3-1530.9000111.9S260 H264S260-P262 WeakPolarHBondContact O-CD 3.46Å; P262-H264 PolarHBondContact O-ND1 2.82Å
263E31.1Very low38.8Very low190 Ų190133.1 Ų133.189%0.88875%0.75SS**  trans-59.6144.5160.5-65.6-172.3133.300110.1I261I261-E263 PolarHBondContact O-N 2.92Å
264H30.2Very low36.3Very low196 Ų196134.2 Ų134.291%0.90776%0.756SS**  trans-90.6125.9-172.1-77.535.4000112P262P262-H264 PolarHBondContact O-ND1 2.82Å
265G26.2Very low33.9Very low77 Ų77137.3 Ų137.379%0.79477%0.773SS**  trans-156.4119.3170.500000111.4
266M28.9Very low32.1Very low197 Ų197139.7 Ų139.797%0.9779%0.787SS**  trans-92137.6-178.9-73.1179.815800112.5
267S27.9Very low31Very low130 Ų130139.7 Ų139.791%0.90978%0.782SS**  trans-163.2167.7138.746.80000109.6
268A27Very low30.6Very low99 Ų99143.2 Ų143.282%0.81879%0.793SS**  trans-134.5178-159.900000114.1
269S27.4Very low30.3Very low114 Ų114146 Ų14680%0.79779%0.793SS**  trans78.5141.8-172.1-150.90000112.7
270T31.9Very low30.4Very low134 Ų134146.3 Ų146.382%0.82279%0.792SS**  cis-128.7150.820.4-610000114.1
271L30.8Very low30.1Very low140 Ų140150 Ų15073%0.73380%0.795SS**  trans-97.5132.9-171.8170.2158.3000111.9
272L27.8Very low30.7Very low137 Ų137147.7 Ų147.772%0.71779%0.791SS**  trans-166.6115.4140.4-129.492.9000114.1
273K32.8Very low31.1Very low175 Ų175153.4 Ų153.476%0.76180%0.798SS**  trans53.6136.3138.4-68.3176.4-167.1174.50120.6
274V32.8Very low31.8Very low115 Ų115156 Ų15670%0.69780%0.8SS**  cis-166.1144.3-3.8107.10000110.6
275K31.9Very low32.7Very low181 Ų181149.4 Ų149.479%0.78779%0.786SS**  trans32.8144.3149.9-60177.8178.4-1790120.8
276T33.6Very low34.1Very low117 Ų117148.2 Ų148.272%0.71876%0.761SS**  cis-176.3170.2-1.2250000107.3
277R33.8Very low35.7Very low201 Ų201149.8 Ų149.876%0.75876%0.756SS**  cis-158.31362.6-134171.6-179.7-175.9-0.7109.2
278Q35.1Very low37.8Very low151 Ų151148.8 Ų148.871%0.70675%0.745SS**  trans55.8151.9141.4-70.4171.712.100120.1
279K29.7Very low39.8Very low173 Ų173147.7 Ų147.775%0.75273%0.728SS**  cis-144.1137.414.4-140.4169.3-169.6179.90110.6
280M32Very low42Very low176 Ų176151 Ų15187%0.86772%0.723SS**  trans-110.3131.5173.6169.7166.251.900108.4
281F26.1Very low44.2Very low186 Ų186151.5 Ų151.582%0.81671%0.713SS**  trans-87.9124.6178.4-86.6-82.3000111.4
282P39.1Very low46.5Very low109 Ų109147.4 Ų147.471%0.70870%0.7SS**  trans-81.4117.1173.331.4-31.5000110.7R284P282-R284 PolarHBondContact O-N 3.5Å
283R37.7Very low49Very low223 Ų223145.1 Ų145.184%0.84269%0.686SS**  trans-73.667.1169.1-82.4-162175.7-126.56.5112.1D286R283-D286 IonicContact NH1-OD2 2.61Å; R283-D286 PolarHBondContact NH1-OD2 3.2Å
284R45.5Very low51.6Low244 Ų244145.7 Ų145.792%0.92168%0.683SS**  trans-103.766.5167.9-172-176.2-86.3-107.72.7109.5P282P282-R284 PolarHBondContact O-N 3.5Å
285G48.6Very low54.2Low59 Ų59146.1 Ų146.161%0.60868%0.677SS**  trans176.178.8-178.900000114.6
286D55.8Low57.2Low51 Ų51143.9 Ų143.927%0.27366%0.664SS.*  trans-142.831.4172.2-91.1-47.1000111.5R283 V289 R290R283-D286 IonicContact NH1-OD2 2.61Å; R283-D286 PolarHBondContact NH1-OD2 3.2Å; D286-V289 HydrophobicContact CB-CB 4.48Å; D286-V289 WeakPolarHBondContact OD1-CG2 3.37Å; D286-R290 PolarHBondContact O-N 2.89Å
287R63.4Low59.9Low230 Ų230142.8 Ų142.887%0.86865%0.653SS**Hα-helixtrans-74.1-29.9175.4-162.7177.8-172.5-175.12.8111.5K291R287-K291 WeakPolarHBondContact O-CB 3.17Å; R287-K291 PolarHBondContact O-N 2.77Å
288T70.6Confident62.6Low109 Ų109137.1 Ų137.167%0.66963%0.634SS**Hα-helixtrans-68.3-50.1172.242.90000111.7R290 K291 A292T288-R290 PolarHBondContact O-N 2.91Å; T288-K291 WeakPolarHBondContact O-CA 3.46Å; T288-K291 WeakPolarHBondContact O-CB 3.28Å; T288-K291 PolarHBondContact O-N 3.31Å; T288-A292 PolarHBondContact O-N 3.45Å
289V70.2Confident65.1Low77 Ų77132.8 Ų132.847%0.46763%0.625SS.*Hα-helixtrans-59.4-46.7178.4174.60000111.3D286 K291 A292 E293D286-V289 HydrophobicContact CB-CB 4.48Å; D286-V289 WeakPolarHBondContact OD1-CG2 3.37Å; V289-K291 VanDerWaalsContact C-N 3.27Å; V289-K291 PolarHBondContact O-N 3.16Å; V289-A292 PolarHBondContact O-N 2.85Å; V289-E293 WeakPolarHBondContact O-CB 3.4Å; V289-E293 PolarHBondContact O-N 2.84Å
290R72.2Confident67.9Low184 Ų184129.3 Ų129.369%0.69461%0.611SS**Hα-helixtrans-61-31.6173.8-74-174175.393.8-9.6113.8D286 T288 R294D286-R290 PolarHBondContact O-N 2.89Å; T288-R290 PolarHBondContact O-N 2.91Å; R290-R294 WeakPolarHBondContact O-CB 3.4Å; R290-R294 PolarHBondContact O-N 2.79Å; R290-R294 VanDerWaalsContact O-N 3.08Å
291K79.3Confident70.8Confident143 Ų143125.8 Ų125.862%0.62259%0.588SS**Hα-helixtrans-71.9-45.1175.3-171.4179.4179.4-1770111.2R287 T288 V289 R294 Q295R287-K291 WeakPolarHBondContact O-CB 3.17Å; R287-K291 PolarHBondContact O-N 2.77Å; T288-K291 WeakPolarHBondContact O-CA 3.46Å; T288-K291 WeakPolarHBondContact O-CB 3.28Å; T288-K291 PolarHBondContact O-N 3.31Å; V289-K291 VanDerWaalsContact C-N 3.27Å; V289-K291 PolarHBondContact O-N 3.16Å; K291-R294 PolarHBondContact O-N 2.93Å; K291-Q295 WeakPolarHBondContact O-CG 3.4Å; K291-Q295 PolarHBondContact O-N 3.03Å
292A79.6Confident73.8Confident55 Ų55123.7 Ų123.746%0.45557%0.574SS.*Hα-helixtrans-62.2-41.5175.900000111.9T288 V289 Q295 R296T288-A292 PolarHBondContact O-N 3.45Å; V289-A292 PolarHBondContact O-N 2.85Å; A292-Q295 PolarHBondContact O-N 2.94Å; A292-R296 PolarHBondContact O-N 2.84Å
293E79.7Confident76.5Confident89 Ų89124.2 Ų124.242%0.41657%0.567SS.*Hα-helixtrans-64.9-44.8175.3-176.6129.8-112.400112.4V289 Q295 R296 L297V289-E293 WeakPolarHBondContact O-CB 3.4Å; V289-E293 PolarHBondContact O-N 2.84Å; E293-Q295 VanDerWaalsContact C-N 3.25Å; E293-Q295 PolarHBondContact O-N 2.86Å; E293-R296 WeakPolarHBondContact O-CB 3.3Å; E293-R296 PolarHBondContact O-N 2.87Å; E293-R296 IonicContact OE1-CZ 3.68Å; E293-R296 IonicContact OE1-NE 2.73Å; E293-R296 IonicContact OE1-NH2 2.79Å; E293-R296 PolarHBondContact OE1-NH2 3.29Å; E293-L297 HydrophobicContact CG-CD1 4.27Å; E293-L297 WeakPolarHBondContact O-CG 3.48Å; E293-L297 PolarHBondContact O-N 2.81Å
294R87.3Confident79.1Confident187 Ų187118 Ų11871%0.70655%0.551SS**Hα-helixtrans-61.9-33.7173.5-173.8175.2-78.6-125.81.7111.9R290 K291 K298R290-R294 WeakPolarHBondContact O-CB 3.4Å; R290-R294 PolarHBondContact O-N 2.79Å; R290-R294 VanDerWaalsContact O-N 3.08Å; K291-R294 PolarHBondContact O-N 2.93Å; R294-K298 WeakPolarHBondContact O-CB 3.35Å; R294-K298 PolarHBondContact O-N 3.5Å; R294-K298 VanDerWaalsContact O-N 3.1Å
295Q86.1Confident81.3Confident123 Ų123109 Ų10958%0.57552%0.518SS*.Hα-helixtrans-70.1-42.1173.3-74.9175.6-57.500112.4K291 A292 E293 K298 A299K291-Q295 WeakPolarHBondContact O-CG 3.4Å; K291-Q295 PolarHBondContact O-N 3.03Å; A292-Q295 PolarHBondContact O-N 2.94Å; E293-Q295 VanDerWaalsContact C-N 3.25Å; E293-Q295 PolarHBondContact O-N 2.86Å; Q295-K298 PolarHBondContact O-N 2.67Å; Q295-A299 PolarHBondContact O-N 3.26Å
296R95.1Very high83.3Confident134 Ų134109 Ų10951%0.50651%0.512SS..Hα-helixtrans-55.9-51.2173.5-178.9172.973.5132-5.9111.2A292 E293 K298 A299 E300A292-R296 PolarHBondContact O-N 2.84Å; E293-R296 WeakPolarHBondContact O-CB 3.3Å; E293-R296 PolarHBondContact O-N 2.87Å; E293-R296 IonicContact OE1-CZ 3.68Å; E293-R296 IonicContact OE1-NE 2.73Å; E293-R296 IonicContact OE1-NH2 2.79Å; E293-R296 PolarHBondContact OE1-NH2 3.29Å; R296-K298 VanDerWaalsContact C-N 3.35Å; R296-K298 PolarHBondContact O-N 3Å; R296-A299 WeakPolarHBondContact O-CB 3.15Å; R296-A299 PolarHBondContact O-N 3.04Å; R296-A299 VanDerWaalsContact O-N 3.12Å; R296-E300 PolarHBondContact O-N 2.9Å
297L90.4Very high85.1Confident95 Ų95110.4 Ų110.450%0.49752%0.517SS..Hα-helixtrans-63.6-36.3179.1-67.1168.8000112.6E293 E300 R301E293-L297 HydrophobicContact CG-CD1 4.27Å; E293-L297 WeakPolarHBondContact O-CG 3.48Å; E293-L297 PolarHBondContact O-N 2.81Å; L297-E300 PolarHBondContact O-N 2.78Å; L297-R301 WeakPolarHBondContact O-CB 3.32Å; L297-R301 PolarHBondContact O-N 2.94Å
298K90.3Very high86.6Confident81 Ų81103.8 Ų103.835%0.35250%0.502SS..Hα-helixtrans-71.2-28.4174.3-174.7151.8174.1156.20112.8D52 R294 Q295 R296 R302D52-K298 VanDerWaalsContact CG-NZ 3.33Å; D52-K298 WeakPolarHBondContact OD1-CE 3.06Å; D52-K298 IonicContact OD1-NZ 3.31Å; D52-K298 PolarHBondContact OD1-NZ 3.32Å; D52-K298 WeakPolarHBondContact OD2-CE 3.44Å; D52-K298 IonicContact OD2-NZ 2.61Å; D52-K298 PolarHBondContact OD2-NZ 3.27Å; R294-K298 WeakPolarHBondContact O-CB 3.35Å; R294-K298 PolarHBondContact O-N 3.5Å; R294-K298 VanDerWaalsContact O-N 3.1Å; Q295-K298 PolarHBondContact O-N 2.67Å; R296-K298 VanDerWaalsContact C-N 3.35Å; R296-K298 PolarHBondContact O-N 3Å; K298-R302 WeakPolarHBondContact O-CB 3.38Å; K298-R302 WeakPolarHBondContact O-CD 3.31Å; K298-R302 WeakPolarHBondContact O-CG 3.41Å; K298-R302 PolarHBondContact O-N 2.85Å
299A88.3Confident87.7Confident61 Ų61105.7 Ų105.750%0.50450%0.501SS..Hα-helixtrans-70.8-45170.300000111.6Q295 R296 R302 Q303Q295-A299 PolarHBondContact O-N 3.26Å; R296-A299 WeakPolarHBondContact O-CB 3.15Å; R296-A299 PolarHBondContact O-N 3.04Å; R296-A299 VanDerWaalsContact O-N 3.12Å; A299-R302 WeakPolarHBondContact O-CA 3.39Å; A299-R302 WeakPolarHBondContact O-CB 3Å; A299-R302 PolarHBondContact O-N 2.87Å; A299-R302 VanDerWaalsContact O-N 3.1Å; A299-Q303 PolarHBondContact O-N 2.88Å
300E89.4Confident88.8Confident99 Ų99106.8 Ų106.846%0.46350%0.501SS..Hα-helixtrans-61.3-46.8177.5-171171.4-173.700112.2R296 L297 R302 Q303 L304R296-E300 PolarHBondContact O-N 2.9Å; L297-E300 PolarHBondContact O-N 2.78Å; E300-R302 PolarHBondContact O-N 3.35Å; E300-Q303 PolarHBondContact O-N 2.88Å; E300-Q303 VanDerWaalsContact O-N 3.14Å; E300-L304 HydrophobicContact CG-CD1 4.48Å; E300-L304 WeakPolarHBondContact O-CG 3.14Å; E300-L304 PolarHBondContact O-N 2.96Å
301R92.9Very high89.8Confident103 Ų103102.4 Ų102.439%0.38949%0.49SS..Hα-helixtrans-57.9-34172.4-169.5179-176.3-170.64.5112.1D50 E54 L297 K305D50-R301 IonicContact OD2-NH1 2.73Å; D50-R301 IonicContact OD2-NH2 3.12Å; E54-R301 IonicContact OE1-CZ 2.86Å; E54-R301 IonicContact OE1-NE 3.64Å; E54-R301 PolarHBondContact OE1-NE 3.41Å; E54-R301 IonicContact OE1-NH1 2.76Å; E54-R301 IonicContact OE1-NH2 3.67Å; E54-R301 PolarHBondContact OE1-NH2 3.22Å; E54-R301 IonicContact OE2-CZ 2.96Å; E54-R301 VanDerWaalsContact OE2-CZ 3.27Å; E54-R301 IonicContact OE2-NE 2.6Å; E54-R301 PolarHBondContact OE2-NE 3.36Å; E54-R301 VanDerWaalsContact OE2-NE 3.15Å; E54-R301 IonicContact OE2-NH2 3.07Å; E54-R301 PolarHBondContact OE2-NH2 2.85Å; L297-R301 WeakPolarHBondContact O-CB 3.32Å; L297-R301 PolarHBondContact O-N 2.94Å; R301-K305 WeakPolarHBondContact O-CB 3.38Å; R301-K305 WeakPolarHBondContact O-CG 3.47Å; R301-K305 PolarHBondContact O-N 2.88Å; R301-K305 VanDerWaalsContact O-N 3.07Å
302R88.8Confident90.4Very high141 Ų141101.6 Ų101.653%0.53249%0.487SS..Hα-helixtrans-73.4-38.2176.2-77.4171.8173.7-163.1-6.3112.7D52 K298 A299 E300 K305 A306D52-R302 IonicContact OD1-CZ 3.17Å; D52-R302 IonicContact OD1-NE 2.7Å; D52-R302 IonicContact OD1-NH2 2.71Å; D52-R302 PolarHBondContact OD1-NH2 3.03Å; K298-R302 WeakPolarHBondContact O-CB 3.38Å; K298-R302 WeakPolarHBondContact O-CD 3.31Å; K298-R302 WeakPolarHBondContact O-CG 3.41Å; K298-R302 PolarHBondContact O-N 2.85Å; A299-R302 WeakPolarHBondContact O-CA 3.39Å; A299-R302 WeakPolarHBondContact O-CB 3Å; A299-R302 PolarHBondContact O-N 2.87Å; A299-R302 VanDerWaalsContact O-N 3.1Å; E300-R302 PolarHBondContact O-N 3.35Å; R302-K305 PolarHBondContact O-N 2.79Å; R302-A306 PolarHBondContact O-N 2.93Å; R302-A306 VanDerWaalsContact O-N 3.12Å
303Q94.9Very high91.1Very high120 Ų120105.7 Ų105.756%0.56150%0.495SS*.Hα-helixtrans-63.4-50.5173.1-178.5-179.9-26.900110.9A299 E300 K305 A306 E307A299-Q303 PolarHBondContact O-N 2.88Å; E300-Q303 PolarHBondContact O-N 2.88Å; E300-Q303 VanDerWaalsContact O-N 3.14Å; Q303-K305 VanDerWaalsContact C-N 3.3Å; Q303-K305 PolarHBondContact O-N 2.68Å; Q303-A306 WeakPolarHBondContact O-CA 3.43Å; Q303-A306 WeakPolarHBondContact O-CB 3.15Å; Q303-A306 PolarHBondContact O-N 3.02Å; Q303-E307 WeakPolarHBondContact CG-OE1 3.34Å; Q303-E307 PolarHBondContact NE2-OE1 3.43Å; Q303-E307 PolarHBondContact O-N 3.44Å
304L93.4Very high91.6Very high93 Ų93106.8 Ų106.849%0.48750%0.498SS..Hα-helixtrans-59.5-39177.9-67.4170.4000112.1E300 A306 E307 V308E300-L304 HydrophobicContact CG-CD1 4.48Å; E300-L304 WeakPolarHBondContact O-CG 3.14Å; E300-L304 PolarHBondContact O-N 2.96Å; L304-A306 VanDerWaalsContact C-N 3.3Å; L304-A306 PolarHBondContact O-N 3.4Å; L304-E307 PolarHBondContact O-N 3.21Å; L304-V308 WeakPolarHBondContact O-CB 3.37Å; L304-V308 VanDerWaalsContact O-CG2 3.28Å; L304-V308 WeakPolarHBondContact O-CG2 3.34Å; L304-V308 PolarHBondContact O-N 2.97Å
305K91.6Very high91.6Very high56 Ų56102.7 Ų102.724%0.24349%0.489CS..Hα-helixtrans-58.2-38.3169.8-87.2-174.7178.4178.30113D52 E54 R301 R302 Q303 K309D52-K305 PolarHBondContact O-NZ 3.29Å; D52-K305 VanDerWaalsContact O-NZ 3.07Å; E54-K305 WeakPolarHBondContact OE1-CE 3.26Å; E54-K305 IonicContact OE1-NZ 3.75Å; E54-K305 PolarHBondContact OE1-NZ 3.45Å; R301-K305 WeakPolarHBondContact O-CB 3.38Å; R301-K305 WeakPolarHBondContact O-CG 3.47Å; R301-K305 PolarHBondContact O-N 2.88Å; R301-K305 VanDerWaalsContact O-N 3.07Å; R302-K305 PolarHBondContact O-N 2.79Å; Q303-K305 VanDerWaalsContact C-N 3.3Å; Q303-K305 PolarHBondContact O-N 2.68Å; K305-K309 WeakPolarHBondContact O-CB 3.33Å; K305-K309 VanDerWaalsContact O-CG 3.24Å; K305-K309 WeakPolarHBondContact O-CG 3.17Å; K305-K309 PolarHBondContact O-N 3.46Å; K305-K309 VanDerWaalsContact O-N 3.09Å
306A90.7Very high91.7Very high57 Ų57105 Ų10547%0.47149%0.493SS..Hα-helixtrans-71.9-45.9-179.900000111.4R302 Q303 L304 V308 K309 E310R302-A306 PolarHBondContact O-N 2.93Å; R302-A306 VanDerWaalsContact O-N 3.12Å; Q303-A306 WeakPolarHBondContact O-CA 3.43Å; Q303-A306 WeakPolarHBondContact O-CB 3.15Å; Q303-A306 PolarHBondContact O-N 3.02Å; L304-A306 VanDerWaalsContact C-N 3.3Å; L304-A306 PolarHBondContact O-N 3.4Å; A306-V308 PolarHBondContact O-N 2.89Å; A306-K309 WeakPolarHBondContact O-CB 3.39Å; A306-K309 PolarHBondContact O-N 2.86Å; A306-K309 VanDerWaalsContact O-N 3.15Å; A306-E310 PolarHBondContact O-N 2.79Å
307E92.9Very high91.1Very high81 Ų81103.6 Ų103.638%0.37950%0.495SS..Hα-helixtrans-59.6-45.7175.2-68.1172.9-165.900111.3Q303 L304 K309 E310 I311Q303-E307 WeakPolarHBondContact CG-OE1 3.34Å; Q303-E307 PolarHBondContact NE2-OE1 3.43Å; Q303-E307 PolarHBondContact O-N 3.44Å; L304-E307 PolarHBondContact O-N 3.21Å; E307-K309 VanDerWaalsContact C-N 3.33Å; E307-K309 PolarHBondContact O-N 2.82Å; E307-E310 PolarHBondContact O-N 2.83Å; E307-E310 VanDerWaalsContact O-N 3.11Å; E307-I311 VanDerWaalsContact O-CG1 3.31Å; E307-I311 WeakPolarHBondContact O-CG1 3.17Å; E307-I311 PolarHBondContact O-N 2.76Å
308V96.2Very high90.5Very high92 Ų92104.2 Ų104.256%0.55850%0.495SS*.Hα-helixtrans-62.2-37.1174.8169.70000112.1L304 A306 K312L304-V308 WeakPolarHBondContact O-CB 3.37Å; L304-V308 VanDerWaalsContact O-CG2 3.28Å; L304-V308 WeakPolarHBondContact O-CG2 3.34Å; L304-V308 PolarHBondContact O-N 2.97Å; A306-V308 PolarHBondContact O-N 2.89Å; V308-K312 WeakPolarHBondContact O-CB 3.45Å; V308-K312 PolarHBondContact O-N 2.61Å
309K92.5Very high90Very high149 Ų149108.2 Ų108.265%0.64851%0.512SS*.Hα-helixtrans-65.4-38.7173-78.2171.1-179.5-178.70111.8K305 A306 E307 K313K305-K309 WeakPolarHBondContact O-CB 3.33Å; K305-K309 VanDerWaalsContact O-CG 3.24Å; K305-K309 WeakPolarHBondContact O-CG 3.17Å; K305-K309 PolarHBondContact O-N 3.46Å; K305-K309 VanDerWaalsContact O-N 3.09Å; A306-K309 WeakPolarHBondContact O-CB 3.39Å; A306-K309 PolarHBondContact O-N 2.86Å; A306-K309 VanDerWaalsContact O-N 3.15Å; E307-K309 VanDerWaalsContact C-N 3.33Å; E307-K309 PolarHBondContact O-N 2.82Å; K309-K313 PolarHBondContact O-N 3.27Å
310E93.9Very high89.4Confident99 Ų99113.2 Ų113.246%0.46352%0.518SS..Hα-helixtrans-69.6-45.9178.1-156.2-143.1171.100111.8A306 E307 K312 K313 K314A306-E310 PolarHBondContact O-N 2.79Å; E307-E310 PolarHBondContact O-N 2.83Å; E307-E310 VanDerWaalsContact O-N 3.11Å; E310-K312 VanDerWaalsContact C-N 3.31Å; E310-K312 PolarHBondContact O-N 2.85Å; E310-K313 WeakPolarHBondContact O-CA 3.05Å; E310-K313 VanDerWaalsContact O-CB 3.32Å; E310-K313 WeakPolarHBondContact O-CB 3.26Å; E310-K313 PolarHBondContact O-N 2.88Å; E310-K314 VanDerWaalsContact CD-CE 3.49Å; E310-K314 PolarHBondContact O-N 2.97Å; E310-K314 WeakPolarHBondContact OE1-CE 3.48Å; E310-K314 IonicContact OE1-NZ 2.66Å; E310-K314 PolarHBondContact OE1-NZ 2.97Å; E310-K314 IonicContact OE2-NZ 3.61Å; E310-K314 PolarHBondContact OE2-NZ 2.95Å
311I91.8Very high88.5Confident92 Ų92110.5 Ų110.547%0.47252%0.517SS..Hα-helixtrans-58.2-44.1173.2-67.4163.7000110.2E307 K313 K314 L315E307-I311 VanDerWaalsContact O-CG1 3.31Å; E307-I311 WeakPolarHBondContact O-CG1 3.17Å; E307-I311 PolarHBondContact O-N 2.76Å; I311-K313 VanDerWaalsContact C-N 3.28Å; I311-K313 PolarHBondContact O-N 2.83Å; I311-K314 PolarHBondContact O-N 2.92Å; I311-L315 HydrophobicContact CG2-CD1 3.93Å; I311-L315 WeakPolarHBondContact O-CB 3.42Å; I311-L315 WeakPolarHBondContact O-CG 3.37Å; I311-L315 PolarHBondContact O-N 3.34Å
312K93.3Very high86.5Confident126 Ų126111.4 Ų111.455%0.54853%0.527SS..Hα-helixtrans-65.6-27175.1-169.2170.7-174.1171.20113V308 E310 R316V308-K312 WeakPolarHBondContact O-CB 3.45Å; V308-K312 PolarHBondContact O-N 2.61Å; E310-K312 VanDerWaalsContact C-N 3.31Å; E310-K312 PolarHBondContact O-N 2.85Å; K312-R316 WeakPolarHBondContact O-CB 3.33Å; K312-R316 WeakPolarHBondContact O-CD 3.35Å; K312-R316 WeakPolarHBondContact O-CG 3.44Å; K312-R316 PolarHBondContact O-N 2.88Å
313K94.9Very high84.6Confident142 Ų142111.5 Ų111.562%0.61753%0.533SS*.Hα-helixtrans-72.6-46.2170.4-173.5-176.3177.9-174.60110.9K309 E310 I311 R316 L317K309-K313 PolarHBondContact O-N 3.27Å; E310-K313 WeakPolarHBondContact O-CA 3.05Å; E310-K313 VanDerWaalsContact O-CB 3.32Å; E310-K313 WeakPolarHBondContact O-CB 3.26Å; E310-K313 PolarHBondContact O-N 2.88Å; I311-K313 VanDerWaalsContact C-N 3.28Å; I311-K313 PolarHBondContact O-N 2.83Å; K313-R316 PolarHBondContact O-N 3.13Å; K313-L317 HydrophobicContact CG-CD1 4.45Å; K313-L317 WeakPolarHBondContact O-CG 3.49Å; K313-L317 PolarHBondContact O-N 2.92Å
314K89.7Confident81.8Confident112 Ų112115.1 Ų115.149%0.48754%0.542SS..Hα-helixtrans-57.7-53.2176.3-70.4169.1179.5162.30111.3E310 I311 R316 L317 E318E310-K314 VanDerWaalsContact CD-CE 3.49Å; E310-K314 PolarHBondContact O-N 2.97Å; E310-K314 WeakPolarHBondContact OE1-CE 3.48Å; E310-K314 IonicContact OE1-NZ 2.66Å; E310-K314 PolarHBondContact OE1-NZ 2.97Å; E310-K314 IonicContact OE2-NZ 3.61Å; E310-K314 PolarHBondContact OE2-NZ 2.95Å; I311-K314 PolarHBondContact O-N 2.92Å; K314-R316 VanDerWaalsContact C-N 3.27Å; K314-R316 PolarHBondContact O-N 3.27Å; K314-L317 PolarHBondContact O-N 3.24Å; K314-E318 PolarHBondContact O-N 2.84Å
315L86.6Confident79.4Confident100 Ų100121.3 Ų121.352%0.52456%0.559SS.*Hα-helixtrans-59.1-33.1175.8-71.9167.3000113.6I311 K319I311-L315 HydrophobicContact CG2-CD1 3.93Å; I311-L315 WeakPolarHBondContact O-CB 3.42Å; I311-L315 WeakPolarHBondContact O-CG 3.37Å; I311-L315 PolarHBondContact O-N 3.34Å; L315-K319 VanDerWaalsContact O-CB 3.22Å; L315-K319 WeakPolarHBondContact O-CB 3.28Å; L315-K319 PolarHBondContact O-N 3.48Å
316R87.8Confident76.8Confident171 Ų171123.6 Ų123.665%0.64558%0.582SS**Hα-helixtrans-70.6-35.7174.6-84.6173.5166.1-170.7-6.1112.7K312 K313 K314 R320K312-R316 WeakPolarHBondContact O-CB 3.33Å; K312-R316 WeakPolarHBondContact O-CD 3.35Å; K312-R316 WeakPolarHBondContact O-CG 3.44Å; K312-R316 PolarHBondContact O-N 2.88Å; K313-R316 PolarHBondContact O-N 3.13Å; K314-R316 VanDerWaalsContact C-N 3.27Å; K314-R316 PolarHBondContact O-N 3.27Å; R316-R320 WeakPolarHBondContact O-CG 3.48Å; R316-R320 PolarHBondContact O-N 2.8Å
317L82.6Confident74.2Confident106 Ų106131 Ų13156%0.55560%0.598SS**Hα-helixtrans-70.8-46.7175.6-68.7168.6000110.7K313 K314 K319 R320 G321K313-L317 HydrophobicContact CG-CD1 4.45Å; K313-L317 WeakPolarHBondContact O-CG 3.49Å; K313-L317 PolarHBondContact O-N 2.92Å; K314-L317 PolarHBondContact O-N 3.24Å; L317-K319 PolarHBondContact O-N 2.88Å; L317-R320 PolarHBondContact O-N 2.94Å; L317-R320 VanDerWaalsContact O-N 3.14Å; L317-G321 PolarHBondContact O-N 3.11Å
318E79.3Confident71.6Confident107 Ų107135.3 Ų135.350%0.562%0.618SS.*Hα-helixtrans-56.6-48.6175-175-177.9-176.600112.2K314 R320 G321 M322K314-E318 PolarHBondContact O-N 2.84Å; E318-R320 VanDerWaalsContact C-N 3.28Å; E318-R320 PolarHBondContact O-N 3.48Å; E318-G321 WeakPolarHBondContact O-CA 3.03Å; E318-G321 PolarHBondContact O-N 3.38Å; E318-M322 HydrophobicContact CG-CE 4.38Å; E318-M322 PolarHBondContact O-N 2.96Å
319K79Confident68.5Low165 Ų165142.2 Ų142.272%0.71763%0.634SS**Hα-helixtrans-61.2-32.7176.8-175.1167.9-177.3169.30113.2L315 L317 Q323L315-K319 VanDerWaalsContact O-CB 3.22Å; L315-K319 WeakPolarHBondContact O-CB 3.28Å; L315-K319 PolarHBondContact O-N 3.48Å; L317-K319 PolarHBondContact O-N 2.88Å; K319-Q323 PolarHBondContact O-N 2.84Å
320R75.8Confident66Low167 Ų167141.2 Ų141.263%0.6364%0.642SS**Hα-helixtrans-72-40.1171.8-70.7175.694-175.96.2111.1R316 L317 E318 M322 Q323 W324R316-R320 WeakPolarHBondContact O-CG 3.48Å; R316-R320 PolarHBondContact O-N 2.8Å; L317-R320 PolarHBondContact O-N 2.94Å; L317-R320 VanDerWaalsContact O-N 3.14Å; E318-R320 VanDerWaalsContact C-N 3.28Å; E318-R320 PolarHBondContact O-N 3.48Å; R320-M322 PolarHBondContact O-N 2.82Å; R320-Q323 WeakPolarHBondContact O-CB 3.44Å; R320-Q323 PolarHBondContact O-N 2.81Å; R320-Q323 VanDerWaalsContact O-N 3.09Å; R320-W324 PolarHBondContact O-N 2.92Å
321G70.5Confident63.1Low41 Ų41146.9 Ų146.942%0.42366%0.659SS.*Hα-helixtrans-57.8-43174.800000113.4L317 E318 Q323 W324L317-G321 PolarHBondContact O-N 3.11Å; E318-G321 WeakPolarHBondContact O-CA 3.03Å; E318-G321 PolarHBondContact O-N 3.38Å; G321-Q323 VanDerWaalsContact C-N 3.3Å; G321-Q323 PolarHBondContact O-N 3.47Å; G321-W324 PolarHBondContact O-N 3.15Å
322M51.1Low60.2Low123 Ų123148.1 Ų148.161%0.60668%0.676SS**Hα-helixtrans-63.4-34.2173.9-67.7-170.2179.700112.8E318 R320 W324 R325E318-M322 HydrophobicContact CG-CE 4.38Å; E318-M322 PolarHBondContact O-N 2.96Å; R320-M322 PolarHBondContact O-N 2.82Å; M322-W324 VanDerWaalsContact C-N 3.34Å; M322-W324 PolarHBondContact O-N 3.09Å; M322-R325 PolarHBondContact O-N 3.31Å
323Q47.5Very low57.1Low143 Ų143149 Ų14967%0.66868%0.682SS**Hα-helixtrans-67.8-31.7-178.5-165.1169.324.900113.1K319 R320 G321K319-Q323 PolarHBondContact O-N 2.84Å; R320-Q323 WeakPolarHBondContact O-CB 3.44Å; R320-Q323 PolarHBondContact O-N 2.81Å; R320-Q323 VanDerWaalsContact O-N 3.09Å; G321-Q323 VanDerWaalsContact C-N 3.3Å; G321-Q323 PolarHBondContact O-N 3.47Å
324W37.2Very low55Low195 Ų195148 Ų14874%0.73969%0.69SS**Hα-helixtrans-70.3-34.4175.1-70.9104.9000112.9R320 G321 M322 S326R320-W324 PolarHBondContact O-N 2.92Å; G321-W324 PolarHBondContact O-N 3.15Å; M322-W324 VanDerWaalsContact C-N 3.34Å; M322-W324 PolarHBondContact O-N 3.09Å; W324-S326 PolarHBondContact O-N 3.45Å
325R41.9Very low52Low223 Ų223148.6 Ų148.684%0.84271%0.708SS**Hα-helixtrans-65.5-22.7177.4-77.2-173.5173.6-100.91113.7M322 R327M322-R325 PolarHBondContact O-N 3.31Å; R325-R327 VanDerWaalsContact C-N 3.34Å; R325-R327 PolarHBondContact O-N 2.86Å
326S38.4Very low50.1Low105 Ų105149.9 Ų149.973%0.73472%0.723SS**THydrogen-bonded Turntrans-82.11.3-176.5-61.50000115.7W324W324-S326 PolarHBondContact O-N 3.45Å
327R35.9Very low47.3Very low212 Ų212145.5 Ų145.580%0.873%0.73SS**THydrogen-bonded Turntrans-102.3-3.2-171.6-104.4-174.9170.7-160.9-4.8117.1R325R325-R327 VanDerWaalsContact C-N 3.34Å; R325-R327 PolarHBondContact O-N 2.86Å
328H37.3Very low45.5Very low172 Ų172146.9 Ų146.980%0.79675%0.746SS**  trans-11094.3179.5-65.3-82.9000112.2
329R32.5Very low43.3Very low237 Ų237152.6 Ų152.689%0.89476%0.763SS**  trans-140.9106.3165.1-174.4177.7-177.2178.93.1110.2
330P38.3Very low41.9Very low127 Ų127150.2 Ų150.283%0.82576%0.764SS**  trans-61.5154.8171-22.834.7000112.2
331R34.6Very low40.6Very low219 Ų219148 Ų14883%0.82677%0.771SS**  trans-124.7123.1-177.9-173.9-176-168.1-128.310.2108.8H333R331-H333 PolarHBondContact NH1-NE2 3.14Å
332S29.2Very low38.6Very low118 Ų118149.2 Ų149.283%0.82578%0.784SS**  trans-126.5149.318048.20000111.6
333H30Very low37.7Very low145 Ų145151.3 Ų151.367%0.67180%0.797SS**  trans-118.5156.8179.8-74.2-101.3000110.1R331R331-H333 PolarHBondContact NH1-NE2 3.14Å
334P49.7Very low37Very low121 Ų121153 Ų15379%0.78681%0.805SS**  trans-102155.9-168.238.2-34.9000115.4
335S27.4Very low36.7Very low124 Ų124147.9 Ų147.987%0.86780%0.799SS**  trans-164.1162.5162-85.90000111.9
336P46.6Very low36.6Very low127 Ų127147.2 Ų147.283%0.82580%0.796SS**  trans-133.1148-141.839.5-23.3000119.8
337G28.3Very low36.3Very low78 Ų78146.5 Ų146.580%0.80479%0.788SS**  trans77175.7151.600000118.5
338P44.5Very low36.3Very low136 Ų136144.5 Ų144.588%0.88379%0.789SS**  cis-124.1-176-9.140.5-25.6000114.5
339R33.1Very low36.2Very low227 Ų227142.8 Ų142.886%0.85779%0.785SS**  trans-103165.5173.5-144.6-169.6-70.5-151.1-1.3110.2
340P49.8Very low35.9Very low114 Ų114136.3 Ų136.374%0.7478%0.775SS**  -155.2-155.988.237.6-13.4000113.6
341P48.6Very low35.4Very low120 Ų120136.1 Ų136.178%0.77977%0.772SS**  -132.4171-64.337.6-21.8000116.7
342G29.3Very low35.2Very low68 Ų68133.1 Ų133.170%0.70177%0.772SS**  trans100.4139.4153.300000116.8
343L32.1Very low35.6Very low166 Ų166133.3 Ų133.387%0.86976%0.759SS**  cis-134.2142.6-18-67.593.8000106.4
344Q33.1Very low35.5Very low180 Ų180133.3 Ų133.384%0.84177%0.77SS**  57133.261.5-68.9-159.433.400113.5
345S30.1Very low35.1Very low87 Ų87137.3 Ų137.361%0.60877%0.769SS**  cis-166.2168.46-94.60000108.1
346R40.3Very low35.4Very low208 Ų208134.9 Ų134.979%0.78576%0.764SS**  cis-165136.8-4.4-108.2164.662.7179.5-0.3106.8
347T32Very low35.3Very low91 Ų91134.7 Ų134.756%0.55876%0.762SS**  78.4115.279.3-53.50000117.3L349T347-L349 HydrophobicContact CG2-CD1 3.72Å; T347-L349 HydrophobicContact CG2-CG 3.83Å
348M36.4Very low35.9Very low170 Ų170134.6 Ų134.684%0.83776%0.762SS**  -145.6137.6127-65.1-56.8-178.600105.9
349L35.3Very low35.5Very low136 Ų136134.1 Ų134.171%0.71276%0.756SS**  cis69.8133.834.9-63.1175.8000112.7T347T347-L349 HydrophobicContact CG2-CD1 3.72Å; T347-L349 HydrophobicContact CG2-CG 3.83Å
350C25.8Very low35.6Very low101 Ų101128 Ų12868%0.68275%0.748SS**  cis-147.6169.94.8-96.80000107.8
351T27.7Very low35Very low122 Ų122130.7 Ų130.775%0.74875%0.75SS**  cis-156.2-161.71.64.90000107.2
352L30.5Very low34.8Very low157 Ų157130.6 Ų130.682%0.82275%0.748SS**  cis-153.3-154.88.1-137.8147.8000109.6
353E36.8Very low35.6Very low122 Ų122132.1 Ų132.157%0.5775%0.748SS**  trans-132.7162.3171.1-66.7-170.6170.500111R355E353-R355 IonicContact OE1-NH2 3.15Å; E353-R355 IonicContact OE2-CZ 3.77Å; E353-R355 IonicContact OE2-NE 3.84Å; E353-R355 PolarHBondContact OE2-NE 2.95Å; E353-R355 IonicContact OE2-NH2 3.71Å; E353-R355 PolarHBondContact OE2-NH2 3.37Å
354T28.5Very low37Very low145 Ų145130.6 Ų130.689%0.8974%0.74SS**  trans-140.7136.7135.7-71.30000109.4
355R40.4Very low39.1Very low205 Ų205126.6 Ų126.677%0.77473%0.727SS**  trans-98.8157177-54.1169.9-177.4-164.4-6.2108.9E353E353-R355 IonicContact OE1-NH2 3.15Å; E353-R355 IonicContact OE2-CZ 3.77Å; E353-R355 IonicContact OE2-NE 3.84Å; E353-R355 PolarHBondContact OE2-NE 2.95Å; E353-R355 IonicContact OE2-NH2 3.71Å; E353-R355 PolarHBondContact OE2-NH2 3.37Å
356G34.8Very low41.5Very low73 Ų73127 Ų12775%0.75373%0.728SS**  cis-175.6-144.33.700000106.4
357P44.2Very low44Very low122 Ų122120.2 Ų120.279%0.79271%0.709SS**  cis-127.1157.2-12.239.8-25.3000114.3V359P357-V359 PolarHBondContact O-N 3.39Å; P357-V359 VanDerWaalsContact O-N 3.17Å
358G40.8Very low47.1Very low77 Ų77117.6 Ų117.679%0.79469%0.691SS**  trans63.431.7134.700000120.9S360G358-S360 PolarHBondContact O-N 2.84Å
359V37.2Very low49.9Very low126 Ų126110.6 Ų110.676%0.76466%0.661SS**  trans-63.5112.2164.4-179.90000108.6P357 H361P357-V359 PolarHBondContact O-N 3.39Å; P357-V359 VanDerWaalsContact O-N 3.17Å; V359-H361 PolarHBondContact O-N 2.94Å
360S34.4Very low52.9Low99 Ų99104.5 Ų104.569%0.69263%0.63SS**  trans-64.6121.9171.1-68.70000108.6G358 T362G358-S360 PolarHBondContact O-N 2.84Å; S360-T362 PolarHBondContact O-N 2.93Å
361H38.1Very low56.3Low169 Ų169104.1 Ų104.178%0.78262%0.62SS**  trans-67.785.6173.4-67.7-80.6000109.5V359 S363V359-H361 PolarHBondContact O-N 2.94Å; H361-S363 PolarHBondContact O-N 3.33Å; H361-S363 VanDerWaalsContact O-N 3.13Å
362T42.9Very low59.6Low118 Ų118102.6 Ų102.672%0.72460%0.604SS**  trans-48.4120.6164.3-57.70000107.3S360 L364S360-T362 PolarHBondContact O-N 2.93Å; T362-L364 PolarHBondContact O-N 3.34Å
363S46.5Very low62.8Low100 Ų10099.1 Ų99.170%0.69959%0.586SS**  trans-41111.7-174.5-179.80000110.4H361 V365H361-S363 PolarHBondContact O-N 3.33Å; H361-S363 VanDerWaalsContact O-N 3.13Å; S363-V365 PolarHBondContact O-N 2.68Å
364L60.7Low65.6Low135 Ų13596.8 Ų96.871%0.70758%0.577SS**  trans-73.970.4-170.7-67.6175.5000110.6T362 P366T362-L364 PolarHBondContact O-N 3.34Å; L364-P366 VanDerWaalsContact O-CD 3.31Å; L364-P366 WeakPolarHBondContact O-CD 3.41Å
365V77.3Confident68.8Low95 Ų9592.3 Ų92.358%0.57655%0.546SS*.  trans-61.4121.5171.7177.30000107.5S363 T367 T400S363-V365 PolarHBondContact O-N 2.68Å; V365-T367 PolarHBondContact O-N 3.21Å; V365-T367 PolarHBondContact O-OG1 2.74Å; V365-T400 PolarHBondContact O-OG1 2.87Å
366P82.1Confident71.3Confident95 Ų9585 Ų8562%0.61752%0.522SS*.  trans-54.8117.5174.8-26.836.8000109.5L364 I401L364-P366 VanDerWaalsContact O-CD 3.31Å; L364-P366 WeakPolarHBondContact O-CD 3.41Å; P366-I401 HydrophobicContact CB-CD1 3.46Å; P366-I401 VanDerWaalsContact CB-CD1 3.46Å; P366-I401 HydrophobicContact CB-CG1 3.72Å
367T92.5Very high74.1Confident66 Ų6683.2 Ų83.241%0.40550%0.495SS..  trans-123.6117-169.2-62.80000110V365 A369 G399 T400V365-T367 PolarHBondContact O-N 3.21Å; V365-T367 PolarHBondContact O-OG1 2.74Å; T367-A369 HydrophobicContact CG2-CB 4.39Å; T367-A369 PolarHBondContact O-N 3.41Å; T367-G399 CarbonylContact O-C 3.6Å; T367-G399 WeakPolarHBondContact O-CA 3.21Å; T367-T400 PolarHBondContact N-OG1 3.12Å; T367-T400 PolarHBondContact O-N 3.45Å
368M95.6Very high76.5Confident36 Ų3681.5 Ų81.518%0.17748%0.484CS..  trans-78.1114.8167.6-68.3-59.1-61.300109.6I401 W403 T407 H460 F465M368-I401 HydrophobicContact CG-CD1 4.09Å; M368-I401 HydrophobicContact SD-CB 3.74Å; M368-I401 HydrophobicContact SD-CD1 3.92Å; M368-I401 HydrophobicContact SD-CG1 4.22Å; M368-I401 HydrophobicContact SD-CG2 4.19Å; M368-W403 HydrophobicContact CE-CG 4.39Å; M368-T407 HydrophobicContact CE-CG2 4.49Å; M368-H460 HydrophobicContact CE-CB 3.74Å; M368-H460 HydrophobicContact CG-CB 4.39Å; M368-H460 HydrophobicContact SD-CB 4.43Å; M368-F465 HydrophobicContact CB-CB 4.07Å; M368-F465 HydrophobicContact CB-CD1 4.07Å; M368-F465 HydrophobicContact CB-CD2 3.94Å; M368-F465 HydrophobicContact CB-CE2 4.38Å; M368-F465 HydrophobicContact CB-CG 3.77Å; M368-F465 HydrophobicContact CE-CD1 4.23Å; M368-F465 HydrophobicContact CE-CD2 4.46Å; M368-F465 HydrophobicContact CE-CE1 3.56Å; M368-F465 HydrophobicContact CE-CE2 3.83Å; M368-F465 HydrophobicContact CE-CZ 3.33Å
369A96.1Very high79.1Confident24 Ų2480.9 Ų80.920%0.19846%0.463CS..  trans-143.1155.1174.800000111.5T367 N397 S398 G399T367-A369 HydrophobicContact CG2-CB 4.39Å; T367-A369 PolarHBondContact O-N 3.41Å; A369-N397 PolarHBondContact O-OD1 2.83Å; A369-N397 VanDerWaalsContact O-OD1 3.12Å; A369-S398 WeakPolarHBondContact CB-OG 3.2Å; A369-S398 PolarHBondContact O-N 3.26Å; A369-S398 VanDerWaalsContact O-N 3.15Å; A369-G399 PolarHBondContact O-N 2.98Å
370A97.7Very high81.8Confident7 Ų779.1 Ų79.16%0.05845%0.449CS..EExtended strand (participates in β ladder)trans-141.8150.5176.400000110.3M395 K396 S398 W403 L458 F465 P467A370-M395 HydrophobicContact CB-CE 4.1Å; A370-K396 CarbonylContact C-O 3.49Å; A370-K396 VanDerWaalsContact CA-O 3.28Å; A370-K396 WeakPolarHBondContact CA-O 3.48Å; A370-S398 VanDerWaalsContact C-OG 3.27Å; A370-S398 WeakPolarHBondContact CA-OG 3.28Å; A370-S398 PolarHBondContact N-OG 2.97Å; A370-W403 HydrophobicContact CB-CH2 4.17Å; A370-W403 HydrophobicContact CB-CZ2 3.65Å; A370-L458 HydrophobicContact CB-CD1 3.58Å; A370-F465 HydrophobicContact CB-CD2 4.36Å; A370-F465 HydrophobicContact CB-CE2 4.07Å; A370-P467 VanDerWaalsContact O-CD 3.29Å; A370-P467 WeakPolarHBondContact O-CD 3.32Å
371L97.8Very high84.8Confident93 Ų9376.2 Ų76.249%0.48743%0.427SS..EExtended strand (participates in β ladder)trans-118.3138.7167.1-66.6169.3000109.4M395 K396L371-M395 CarbonylContact O-C 3.51Å; L371-M395 VanDerWaalsContact O-CA 3.25Å; L371-M395 WeakPolarHBondContact O-CA 3.14Å; L371-K396 HydrophobicContact CB-CB 4.38Å; L371-K396 PolarHBondContact N-O 2.63Å; L371-K396 PolarHBondContact O-N 3.5Å
372F97.8Very high87.6Confident90 Ų9076.2 Ų76.240%0.39542%0.42SS..EExtended strand (participates in β ladder)trans-77.4145.5166172.4-100.5000109.6D374 E375 W393 P467 V469F372-D374 WeakPolarHBondContact CE2-O 3.29Å; F372-E375 HydrophobicContact CE2-CB 4.12Å; F372-E375 HydrophobicContact CZ-CB 4.06Å; F372-E375 HydrophobicContact CZ-CG 4Å; F372-W393 HydrophobicContact CD2-CB 4.19Å; F372-W393 HydrophobicContact CE2-CB 4.02Å; F372-W393 AromaticContact CE2-CD1 3.91Å; F372-W393 HydrophobicContact CE2-CG 4.37Å; F372-P467 HydrophobicContact CB-CG 4.15Å; F372-V469 HydrophobicContact CD2-CG1 4.14Å
373L96.4Very high90.1Very high85 Ų8572 Ų7245%0.44539%0.393SS..EExtended strand (participates in β ladder)trans-125.9-43.9178.6-61.6179000113.9K394 K396 V436L373-K394 HydrophobicContact CB-CB 4.34Å; L373-K394 HydrophobicContact CB-CD 4.44Å; L373-K394 HydrophobicContact CB-CG 4.39Å; L373-K394 HydrophobicContact CD1-CG 4.42Å; L373-K394 PolarHBondContact N-O 3.07Å; L373-K396 HydrophobicContact CD1-CB 4.17Å; L373-K396 HydrophobicContact CG-CB 4.45Å; L373-V436 HydrophobicContact CD1-CB 4.44Å; L373-V436 HydrophobicContact CD1-CG1 3.66Å; L373-V436 HydrophobicContact CD1-CG2 3.84Å
374D95.1Very high92.4Very high72 Ų7272.2 Ų72.239%0.38538%0.383SS..EExtended strand (participates in β ladder)trans-167.4160.3-163.9178.631.6000111.2F372 W393 K394F372-D374 WeakPolarHBondContact CE2-O 3.29Å; D374-W393 CarbonylContact O-C 3.59Å; D374-W393 WeakPolarHBondContact O-CA 3.25Å; D374-K394 HydrophobicContact CB-CB 3.81Å; D374-K394 HydrophobicContact CB-CD 3.77Å; D374-K394 HydrophobicContact CB-CG 4.47Å; D374-K394 PolarHBondContact O-N 3.31Å
375E96Very high94.1Very high51 Ų5167.9 Ų67.924%0.23836%0.363CS..EExtended strand (participates in β ladder)trans-153.6162.4179.562.3167.8-135.500113.7F372 K391 Y392 W393F372-E375 HydrophobicContact CE2-CB 4.12Å; F372-E375 HydrophobicContact CZ-CB 4.06Å; F372-E375 HydrophobicContact CZ-CG 4Å; E375-K391 IonicContact OE1-NZ 3.65Å; E375-K391 PolarHBondContact OE1-NZ 3.04Å; E375-K391 WeakPolarHBondContact OE2-CE 3.41Å; E375-K391 IonicContact OE2-NZ 2.69Å; E375-K391 PolarHBondContact OE2-NZ 2.87Å; E375-Y392 WeakPolarHBondContact CA-O 3.07Å; E375-Y392 WeakPolarHBondContact CB-O 3.17Å; E375-W393 PolarHBondContact OE2-NE1 2.96Å
376N94.1Very high94.9Very high53 Ų5364.9 Ų64.928%0.28335%0.351SS..SBendtrans-100.4-23.3-166.676.9-40.2000117.2I390 K391 Y392N376-I390 PolarHBondContact ND2-O 3.22Å; N376-K391 WeakPolarHBondContact OD1-CA 3.19Å; N376-Y392 HydrophobicContact CB-CD1 3.63Å; N376-Y392 HydrophobicContact CB-CD2 4.03Å; N376-Y392 HydrophobicContact CB-CE1 3.4Å; N376-Y392 HydrophobicContact CB-CE2 3.78Å; N376-Y392 HydrophobicContact CB-CG 3.94Å; N376-Y392 VanDerWaalsContact CB-CZ 3.46Å; N376-Y392 PolarHBondContact N-O 3.26Å; N376-Y392 PolarHBondContact OD1-N 3.21Å
377L92.4Very high95.6Very high34 Ų3462.6 Ų62.618%0.17834%0.335CS..SBendtrans-128.6101.6-177.2-71.6167.9000107.2T381 F389 K391L377-T381 HydrophobicContact CD2-CG2 4.36Å; L377-F389 HydrophobicContact CD1-CB 4.49Å; L377-F389 HydrophobicContact CD1-CD2 3.39Å; L377-F389 HydrophobicContact CD1-CE2 3.94Å; L377-F389 HydrophobicContact CD1-CG 4.28Å; L377-K391 HydrophobicContact CB-CD 4Å; L377-K391 PolarHBondContact O-NZ 2.73Å
378P94.6Very high95.7Very high87 Ų8767.4 Ų67.457%0.56535%0.351SS*.  trans-56.4150.4179.5-26.235.3000112.2N380 T381P378-N380 PolarHBondContact O-N 3Å; P378-T381 WeakPolarHBondContact O-CB 3.28Å; P378-T381 PolarHBondContact O-N 2.9Å; P378-T381 PolarHBondContact O-OG1 2.91Å
379D95.6Very high95.7Very high63 Ų6366.8 Ų66.834%0.33735%0.347SS..THydrogen-bonded Turntrans-54.9136.8177-83.5-25.8000112.3T381 W470 S472D379-T381 VanDerWaalsContact C-N 3.3Å; D379-W470 VanDerWaalsContact CG-NE1 3.34Å; D379-W470 VanDerWaalsContact OD1-CD1 3.26Å; D379-W470 PolarHBondContact OD1-NE1 2.85Å; D379-W470 PolarHBondContact OD2-NE1 2.78Å; D379-S472 WeakPolarHBondContact OD1-CB 3.39Å; D379-S472 PolarHBondContact OD1-N 3.41Å
380N94.4Very high95.7Very high90 Ų9070.4 Ų70.448%0.48136%0.362SS..THydrogen-bonded Turntrans70.321.5179.8-35.4-51.9000114P378 R382 M451 S472 V474P378-N380 PolarHBondContact O-N 3Å; N380-R382 PolarHBondContact O-N 2.84Å; N380-M451 HydrophobicContact CB-CE 4.26Å; N380-M451 WeakPolarHBondContact OD1-CE 3.28Å; N380-S472 PolarHBondContact N-O 3.03Å; N380-S472 PolarHBondContact OD1-OG 3.32Å; N380-V474 HydrophobicContact CB-CG2 4.16Å
381T96.7Very high95.6Very high38 Ų3870.1 Ų70.123%0.23336%0.36CS..EExtended strand (participates in β ladder)trans-51.2129.8165-66.70000110.1L377 P378 D379 L383 I473 V474L377-T381 HydrophobicContact CD2-CG2 4.36Å; P378-T381 WeakPolarHBondContact O-CB 3.28Å; P378-T381 PolarHBondContact O-N 2.9Å; P378-T381 PolarHBondContact O-OG1 2.91Å; D379-T381 VanDerWaalsContact C-N 3.3Å; T381-L383 HydrophobicContact CG2-CD2 4.16Å; T381-L383 HydrophobicContact CG2-CG 4.37Å; T381-I473 WeakPolarHBondContact O-CA 3.43Å; T381-V474 PolarHBondContact O-N 2.85Å
382R96.6Very high95.5Very high168 Ų16869.8 Ų69.863%0.63435%0.352SS*.EExtended strand (participates in β ladder)trans-79.4134.2175.1-69.8-175.9-172.6-105.7-7.5110.5N380 V474 D476N380-R382 PolarHBondContact O-N 2.84Å; R382-V474 CarbonylContact C-O 3.57Å; R382-V474 VanDerWaalsContact CA-O 3.3Å; R382-V474 WeakPolarHBondContact CA-O 3.24Å; R382-V474 HydrophobicContact CG-CB 4.06Å; R382-V474 HydrophobicContact CG-CG1 4.27Å; R382-D476 IonicContact CZ-OD2 2.6Å; R382-D476 IonicContact NH1-OD2 3.85Å; R382-D476 PolarHBondContact NH1-OD2 3.44Å
383L96Very high95.5Very high30 Ų3065.5 Ų65.516%0.15733%0.334CS..EExtended strand (participates in β ladder)trans-136.8144.7175.9-61.5176.3000110.2T381 T387 F389 A445 I473 V474 V475 D476T381-L383 HydrophobicContact CG2-CD2 4.16Å; T381-L383 HydrophobicContact CG2-CG 4.37Å; L383-T387 HydrophobicContact CD2-CG2 4.34Å; L383-F389 HydrophobicContact CD1-CD1 3.49Å; L383-F389 VanDerWaalsContact CD1-CD1 3.49Å; L383-F389 HydrophobicContact CD1-CD2 4.44Å; L383-F389 HydrophobicContact CD1-CE1 3.48Å; L383-F389 VanDerWaalsContact CD1-CE1 3.48Å; L383-F389 HydrophobicContact CD1-CE2 4.41Å; L383-F389 HydrophobicContact CD1-CG 3.99Å; L383-F389 HydrophobicContact CD1-CZ 3.94Å; L383-A445 HydrophobicContact CB-CB 4.24Å; L383-I473 HydrophobicContact CD1-CB 4.27Å; L383-I473 HydrophobicContact CD1-CD1 3.95Å; L383-I473 HydrophobicContact CD1-CG2 3.88Å; L383-V474 PolarHBondContact N-O 3.34Å; L383-V475 WeakPolarHBondContact O-CA 3.46Å; L383-D476 PolarHBondContact O-N 3.23Å
384E95.9Very high95.6Very high105 Ų10565.4 Ų65.449%0.49133%0.33SS..  trans-69.2150.6174.6-66-69.3159.200111.1G386 T387 G478E384-G386 PolarHBondContact O-N 3.16Å; E384-T387 VanDerWaalsContact O-CB 3.25Å; E384-T387 WeakPolarHBondContact O-CB 3.2Å; E384-T387 PolarHBondContact O-N 2.83Å; E384-T387 VanDerWaalsContact O-N 3.15Å; E384-T387 PolarHBondContact O-OG1 3.06Å; E384-G478 PolarHBondContact OE2-N 3.47Å
385P96.4Very high95.7Very high43 Ų4362 Ų6228%0.27931%0.312SS..THydrogen-bonded Turntrans-50.8133.7177.4-28.234.4000113.6T387 P446 V475 D476P385-T387 VanDerWaalsContact C-N 3.26Å; P385-T387 PolarHBondContact O-N 2.73Å; P385-P446 WeakPolarHBondContact CA-O 3.47Å; P385-V475 HydrophobicContact CB-CG1 4.22Å; P385-V475 HydrophobicContact CG-CG1 3.81Å; P385-D476 WeakPolarHBondContact CD-O 3.46Å
386G94Very high95.8Very high32 Ų3263.5 Ų63.533%0.3332%0.317SS..THydrogen-bonded Turntrans76.8-0.9179.600000116E384 K388 A445 P446E384-G386 PolarHBondContact O-N 3.16Å; G386-K388 PolarHBondContact O-N 3.4Å; G386-A445 WeakPolarHBondContact CA-O 3.47Å; G386-A445 PolarHBondContact N-O 3.03Å; G386-P446 PolarHBondContact N-O 2.83Å
387T95.1Very high96Very high47 Ų4761 Ų6129%0.28830%0.304SS..  trans-55.8125.3177-62.90000111.6L383 E384 P385 V444 A445L383-T387 HydrophobicContact CD2-CG2 4.34Å; E384-T387 VanDerWaalsContact O-CB 3.25Å; E384-T387 WeakPolarHBondContact O-CB 3.2Å; E384-T387 PolarHBondContact O-N 2.83Å; E384-T387 VanDerWaalsContact O-N 3.15Å; E384-T387 PolarHBondContact O-OG1 3.06Å; P385-T387 VanDerWaalsContact C-N 3.26Å; P385-T387 PolarHBondContact O-N 2.73Å; T387-V444 WeakPolarHBondContact O-CA 3.43Å; T387-A445 PolarHBondContact O-N 2.79Å
388K95.4Very high96.3Very high168 Ų16861.8 Ų61.873%0.7331%0.312SS*.EExtended strand (participates in β ladder)trans-91.5129.5173.8-52.7-163.2177.3-174.40109.9G386 V444G386-K388 PolarHBondContact O-N 3.4Å; K388-V444 HydrophobicContact CD-CG2 4.45Å; K388-V444 HydrophobicContact CG-CG1 4.49Å; K388-V444 HydrophobicContact CG-CG2 4.11Å
389F95.2Very high96.3Very high23 Ų2358 Ų5810%0.10129%0.29CS..EExtended strand (participates in β ladder)trans-147.3167.2-177.167.1-84.7000112.1L377 L383 L416 A442 F443 A445 I473L377-F389 HydrophobicContact CD1-CB 4.49Å; L377-F389 HydrophobicContact CD1-CD2 3.39Å; L377-F389 HydrophobicContact CD1-CE2 3.94Å; L377-F389 HydrophobicContact CD1-CG 4.28Å; L383-F389 HydrophobicContact CD1-CD1 3.49Å; L383-F389 VanDerWaalsContact CD1-CD1 3.49Å; L383-F389 HydrophobicContact CD1-CD2 4.44Å; L383-F389 HydrophobicContact CD1-CE1 3.48Å; L383-F389 VanDerWaalsContact CD1-CE1 3.48Å; L383-F389 HydrophobicContact CD1-CE2 4.41Å; L383-F389 HydrophobicContact CD1-CG 3.99Å; L383-F389 HydrophobicContact CD1-CZ 3.94Å; F389-L416 HydrophobicContact CZ-CD1 4.4Å; F389-L416 HydrophobicContact CZ-CD2 4.06Å; F389-A442 WeakPolarHBondContact O-CA 3.47Å; F389-F443 HydrophobicContact CD1-CB 4.22Å; F389-F443 HydrophobicContact CD2-CB 4.25Å; F389-F443 HydrophobicContact CE1-CB 3.66Å; F389-F443 HydrophobicContact CE2-CB 3.72Å; F389-F443 AromaticContact CE2-CD2 3.85Å; F389-F443 HydrophobicContact CE2-CD2 3.85Å; F389-F443 HydrophobicContact CE2-CG 4.17Å; F389-F443 HydrophobicContact CZ-CB 3.4Å; F389-F443 VanDerWaalsContact CZ-CB 3.4Å; F389-F443 HydrophobicContact CZ-CD2 4.22Å; F389-F443 HydrophobicContact CZ-CG 4.1Å; F389-F443 PolarHBondContact N-O 3.1Å; F389-F443 PolarHBondContact O-N 2.92Å; F389-A445 HydrophobicContact CE1-CB 4.42Å; F389-I473 HydrophobicContact CE1-CD1 3.8Å; F389-I473 HydrophobicContact CE2-CG2 4.22Å; F389-I473 HydrophobicContact CZ-CD1 3.86Å; F389-I473 HydrophobicContact CZ-CG2 3.81Å
390I95.6Very high96.3Very high100 Ų10058.9 Ų58.951%0.51330%0.297SS..EExtended strand (participates in β ladder)trans-120.1120.9174.8-58.3175.2000107.4N376 V441 A442N376-I390 PolarHBondContact ND2-O 3.22Å; I390-V441 WeakPolarHBondContact CA-O 3.47Å; I390-A442 HydrophobicContact CG1-CB 4.3Å
391K96.7Very high96.4Very high0 Ų057 Ų570%029%0.287CS..EExtended strand (participates in β ladder)trans-87.3138.6164.4177.181.4179.3-1540107.4E375 N376 L377 W393 S440 V441 F443 W470 C471E375-K391 IonicContact OE1-NZ 3.65Å; E375-K391 PolarHBondContact OE1-NZ 3.04Å; E375-K391 WeakPolarHBondContact OE2-CE 3.41Å; E375-K391 IonicContact OE2-NZ 2.69Å; E375-K391 PolarHBondContact OE2-NZ 2.87Å; N376-K391 WeakPolarHBondContact OD1-CA 3.19Å; L377-K391 HydrophobicContact CB-CD 4Å; L377-K391 PolarHBondContact O-NZ 2.73Å; K391-W393 HydrophobicContact CG-CD2 4.42Å; K391-W393 HydrophobicContact CG-CH2 4.08Å; K391-W393 HydrophobicContact CG-CZ2 3.53Å; K391-S440 CarbonylContact O-C 3.59Å; K391-S440 WeakPolarHBondContact O-CA 3.15Å; K391-V441 PolarHBondContact N-O 2.84Å; K391-V441 PolarHBondContact O-N 2.79Å; K391-F443 HydrophobicContact CB-CD2 4.02Å; K391-F443 HydrophobicContact CB-CE2 3.87Å; K391-W470 WeakPolarHBondContact CE-O 3.36Å; K391-W470 PolarHBondContact NZ-O 3.4Å; K391-C471 HydrophobicContact CB-CB 4.31Å; K391-C471 HydrophobicContact CD-CB 4.11Å; K391-C471 HydrophobicContact CG-CB 3.96Å
392Y95.9Very high96.4Very high86 Ų8657.3 Ų57.334%0.33729%0.29SS..EExtended strand (participates in β ladder)trans-127.9153.1166.875.5-120.9000112.4E375 N376 V438 V439E375-Y392 WeakPolarHBondContact CA-O 3.07Å; E375-Y392 WeakPolarHBondContact CB-O 3.17Å; N376-Y392 HydrophobicContact CB-CD1 3.63Å; N376-Y392 HydrophobicContact CB-CD2 4.03Å; N376-Y392 HydrophobicContact CB-CE1 3.4Å; N376-Y392 HydrophobicContact CB-CE2 3.78Å; N376-Y392 HydrophobicContact CB-CG 3.94Å; N376-Y392 VanDerWaalsContact CB-CZ 3.46Å; N376-Y392 PolarHBondContact N-O 3.26Å; N376-Y392 PolarHBondContact OD1-N 3.21Å; Y392-V438 HydrophobicContact CD1-CG1 4.24Å; Y392-V438 HydrophobicContact CD2-CG1 3.79Å; Y392-V438 HydrophobicContact CG-CG1 3.61Å; Y392-V439 CarbonylContact C-O 3.54Å; Y392-V439 VanDerWaalsContact CA-O 3.25Å; Y392-V439 WeakPolarHBondContact CA-O 3.38Å
393W98.1Very high96.4Very high0 Ų049.5 Ų49.50%026%0.261CS..EExtended strand (participates in β ladder)trans-124.8126168.6-49-84.5000108.5F372 D374 E375 K391 M395 L409 V439 V441 W456 V469 W470F372-W393 HydrophobicContact CD2-CB 4.19Å; F372-W393 HydrophobicContact CE2-CB 4.02Å; F372-W393 AromaticContact CE2-CD1 3.91Å; F372-W393 HydrophobicContact CE2-CG 4.37Å; D374-W393 CarbonylContact O-C 3.59Å; D374-W393 WeakPolarHBondContact O-CA 3.25Å; E375-W393 PolarHBondContact OE2-NE1 2.96Å; K391-W393 HydrophobicContact CG-CD2 4.42Å; K391-W393 HydrophobicContact CG-CH2 4.08Å; K391-W393 HydrophobicContact CG-CZ2 3.53Å; W393-M395 HydrophobicContact CB-CG 4.31Å; W393-L409 HydrophobicContact CE3-CD2 4.16Å; W393-L409 HydrophobicContact CH2-CD2 4.3Å; W393-L409 HydrophobicContact CZ3-CD2 3.53Å; W393-V439 PolarHBondContact N-O 3.46Å; W393-V439 PolarHBondContact O-N 2.98Å; W393-V441 HydrophobicContact CH2-CB 4.37Å; W393-V441 HydrophobicContact CH2-CG2 4.13Å; W393-V441 HydrophobicContact CZ3-CB 4.32Å; W393-V441 HydrophobicContact CZ3-CG2 3.78Å; W393-W456 AromaticContact CH2-CD1 3.88Å; W393-W456 HydrophobicContact CH2-CG 4.18Å; W393-V469 HydrophobicContact CB-CG1 4.46Å; W393-V469 HydrophobicContact CD2-CB 3.89Å; W393-V469 HydrophobicContact CD2-CG2 3.6Å; W393-V469 HydrophobicContact CE3-CG2 3.84Å; W393-V469 HydrophobicContact CG-CB 3.84Å; W393-V469 HydrophobicContact CG-CG1 4.23Å; W393-V469 HydrophobicContact CG-CG2 4Å; W393-V469 HydrophobicContact CH2-CG2 4.4Å; W393-V469 HydrophobicContact CZ2-CG2 4.2Å; W393-V469 HydrophobicContact CZ3-CG2 4.23Å; W393-W470 VanDerWaalsContact CZ2-C 3.5Å; W393-W470 WeakPolarHBondContact CZ2-O 3.26Å; W393-W470 PolarHBondContact NE1-O 2.89Å
394K97.8Very high96.5Very high84 Ų8450.1 Ų50.137%0.36527%0.266SS..EExtended strand (participates in β ladder)trans-79.7124172.1-163.4-178.3-169.2172.60107.7L373 D374 V436 G437L373-K394 HydrophobicContact CB-CB 4.34Å; L373-K394 HydrophobicContact CB-CD 4.44Å; L373-K394 HydrophobicContact CB-CG 4.39Å; L373-K394 HydrophobicContact CD1-CG 4.42Å; L373-K394 PolarHBondContact N-O 3.07Å; D374-K394 HydrophobicContact CB-CB 3.81Å; D374-K394 HydrophobicContact CB-CD 3.77Å; D374-K394 HydrophobicContact CB-CG 4.47Å; D374-K394 PolarHBondContact O-N 3.31Å; K394-V436 HydrophobicContact CG-CG1 3.91Å; K394-G437 CarbonylContact C-O 3.59Å; K394-G437 WeakPolarHBondContact CA-O 3.25Å
395M98.1Very high96.5Very high1 Ų150.1 Ų50.11%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-132.6144.8-174.7-57.3-169.880.500111A370 L371 W393 W403 V436 G437 V439 L458 P467 V469A370-M395 HydrophobicContact CB-CE 4.1Å; L371-M395 CarbonylContact O-C 3.51Å; L371-M395 VanDerWaalsContact O-CA 3.25Å; L371-M395 WeakPolarHBondContact O-CA 3.14Å; W393-M395 HydrophobicContact CB-CG 4.31Å; M395-W403 HydrophobicContact CB-CH2 4.1Å; M395-V436 WeakPolarHBondContact O-CA 3.48Å; M395-G437 PolarHBondContact N-O 2.97Å; M395-G437 PolarHBondContact O-N 3.44Å; M395-V439 HydrophobicContact CB-CG2 4.5Å; M395-V439 HydrophobicContact CG-CG2 4.27Å; M395-V439 HydrophobicContact SD-CG2 3.96Å; M395-L458 HydrophobicContact CE-CD1 3.8Å; M395-L458 HydrophobicContact CE-CG 4.45Å; M395-L458 HydrophobicContact SD-CD1 4.02Å; M395-L458 HydrophobicContact SD-CG 4.44Å; M395-P467 HydrophobicContact CE-CG 3.88Å; M395-V469 HydrophobicContact CE-CG1 4.09Å; M395-V469 HydrophobicContact SD-CG1 4.4Å
396K98.1Very high96.4Very high81 Ų8152.9 Ų52.935%0.35229%0.286SS..EExtended strand (participates in β ladder)trans-102.5133.5171.4-172.5174.4179.8176.70109.2A370 L371 L373 S398 G434 Q435 V436A370-K396 CarbonylContact C-O 3.49Å; A370-K396 VanDerWaalsContact CA-O 3.28Å; A370-K396 WeakPolarHBondContact CA-O 3.48Å; L371-K396 HydrophobicContact CB-CB 4.38Å; L371-K396 PolarHBondContact N-O 2.63Å; L371-K396 PolarHBondContact O-N 3.5Å; L373-K396 HydrophobicContact CD1-CB 4.17Å; L373-K396 HydrophobicContact CG-CB 4.45Å; K396-S398 PolarHBondContact O-N 2.82Å; K396-G434 WeakPolarHBondContact CE-O 3.49Å; K396-Q435 CarbonylContact C-O 3.58Å; K396-Q435 WeakPolarHBondContact CA-O 3.36Å; K396-V436 HydrophobicContact CB-CG2 4.01Å; K396-V436 HydrophobicContact CD-CG2 4.27Å; K396-V436 HydrophobicContact CG-CG2 3.94Å
397N98.2Very high96.6Very high0 Ų051.4 Ų51.40%027%0.271CS..EExtended strand (participates in β ladder)trans-69.9110.5161-177.80.6000108.1A369 G399 I401 W403 L431 L432 G434 Q435A369-N397 PolarHBondContact O-OD1 2.83Å; A369-N397 VanDerWaalsContact O-OD1 3.12Å; N397-G399 PolarHBondContact OD1-N 2.94Å; N397-I401 PolarHBondContact ND2-O 3.07Å; N397-W403 HydrophobicContact CB-CD2 4.48Å; N397-W403 HydrophobicContact CB-CZ2 3.91Å; N397-W403 PolarHBondContact ND2-NE1 3.08Å; N397-W403 PolarHBondContact OD1-NE1 3.06Å; N397-L431 HydrophobicContact CB-CB 3.9Å; N397-L431 PolarHBondContact ND2-O 2.88Å; N397-L432 WeakPolarHBondContact CB-O 3.42Å; N397-L432 PolarHBondContact ND2-O 3.37Å; N397-G434 VanDerWaalsContact O-CA 3.23Å; N397-G434 WeakPolarHBondContact O-CA 3.37Å; N397-G434 PolarHBondContact O-N 2.83Å; N397-Q435 PolarHBondContact N-O 3.23Å
398S97.3Very high96.7Very high51 Ų5152.7 Ų52.736%0.35727%0.273SS..  trans-103.86177.758.50000112.8A369 A370 K396A369-S398 WeakPolarHBondContact CB-OG 3.2Å; A369-S398 PolarHBondContact O-N 3.26Å; A369-S398 VanDerWaalsContact O-N 3.15Å; A370-S398 VanDerWaalsContact C-OG 3.27Å; A370-S398 WeakPolarHBondContact CA-OG 3.28Å; A370-S398 PolarHBondContact N-OG 2.97Å; K396-S398 PolarHBondContact O-N 2.82Å
399G95.7Very high96.7Very high9 Ų944.7 Ų44.79%0.09324%0.238CC..SBendtrans-82.7-176.1176.100000113.3T367 A369 N397T367-G399 CarbonylContact O-C 3.6Å; T367-G399 WeakPolarHBondContact O-CA 3.21Å; A369-G399 PolarHBondContact O-N 2.98Å; N397-G399 PolarHBondContact OD1-N 2.94Å
400T95.4Very high96.8Very high80 Ų8044.9 Ų44.949%0.49124%0.241SC..SBendtrans-102.3-1.5172.851.70000113V365 T367V365-T400 PolarHBondContact O-OG1 2.87Å; T367-T400 PolarHBondContact N-OG1 3.12Å; T367-T400 PolarHBondContact O-N 3.45Å
401I95.3Very high96.8Very high52 Ų5242.6 Ų42.627%0.26723%0.227SC..SBendtrans-113.5139.9177.6-38-177.8000109.7P366 M368 N397P366-I401 HydrophobicContact CB-CD1 3.46Å; P366-I401 VanDerWaalsContact CB-CD1 3.46Å; P366-I401 HydrophobicContact CB-CG1 3.72Å; M368-I401 HydrophobicContact CG-CD1 4.09Å; M368-I401 HydrophobicContact SD-CB 3.74Å; M368-I401 HydrophobicContact SD-CD1 3.92Å; M368-I401 HydrophobicContact SD-CG1 4.22Å; M368-I401 HydrophobicContact SD-CG2 4.19Å; N397-I401 PolarHBondContact ND2-O 3.07Å
402S96.9Very high96.6Very high43 Ų4345.2 Ų45.230%0.30124%0.24SC..  trans-64.4146.1168-52.50000111.6L431 L432 P433S402-L431 CarbonylContact C-O 3.59Å; S402-L431 WeakPolarHBondContact CA-O 3.48Å; S402-L432 WeakPolarHBondContact OG-CD2 3.44Å; S402-P433 WeakPolarHBondContact OG-CD 3.48Å
403W97.8Very high96.5Very high4 Ų446.7 Ų46.72%0.01525%0.245CC..  trans-75.9132.7170.1-60-0.1000109.5M368 A370 M395 N397 T407 V428 L430 L431 V439 L458 F465M368-W403 HydrophobicContact CE-CG 4.39Å; A370-W403 HydrophobicContact CB-CH2 4.17Å; A370-W403 HydrophobicContact CB-CZ2 3.65Å; M395-W403 HydrophobicContact CB-CH2 4.1Å; N397-W403 HydrophobicContact CB-CD2 4.48Å; N397-W403 HydrophobicContact CB-CZ2 3.91Å; N397-W403 PolarHBondContact ND2-NE1 3.08Å; N397-W403 PolarHBondContact OD1-NE1 3.06Å; W403-T407 WeakPolarHBondContact CA-OG1 3.33Å; W403-T407 HydrophobicContact CB-CG2 3.93Å; W403-T407 HydrophobicContact CD2-CG2 4.19Å; W403-T407 HydrophobicContact CE3-CG2 4.47Å; W403-T407 HydrophobicContact CG-CG2 3.95Å; W403-V428 HydrophobicContact CE3-CG2 3.82Å; W403-V428 HydrophobicContact CZ3-CG2 4.42Å; W403-L430 WeakPolarHBondContact O-CA 2.86Å; W403-L431 HydrophobicContact CD2-CB 4.06Å; W403-L431 HydrophobicContact CD2-CG 4.46Å; W403-L431 HydrophobicContact CE3-CB 4.02Å; W403-L431 HydrophobicContact CE3-CD1 3.93Å; W403-L431 HydrophobicContact CE3-CG 3.91Å; W403-L431 HydrophobicContact CG-CB 4.36Å; W403-L431 HydrophobicContact CH2-CD1 3.88Å; W403-L431 HydrophobicContact CZ2-CD1 4.49Å; W403-L431 HydrophobicContact CZ3-CD1 3.58Å; W403-L431 HydrophobicContact CZ3-CG 4.07Å; W403-L431 PolarHBondContact N-O 2.78Å; W403-V439 HydrophobicContact CZ3-CG2 4.38Å; W403-L458 HydrophobicContact CH2-CD1 3.54Å; W403-L458 HydrophobicContact CZ2-CD1 3.79Å; W403-L458 HydrophobicContact CZ3-CD1 4.08Å; W403-L458 HydrophobicContact CZ3-CD2 4.47Å; W403-F465 HydrophobicContact CZ2-CE2 4.24Å; W403-F465 AromaticContact NE1-CE2 3.77Å; W403-F465 AromaticContact NE1-CZ 3.93Å
404T96.8Very high96.3Very high43 Ų4348.4 Ų48.426%0.26426%0.263SS..  trans-108.2-179.5-176.369.80000111E406 T407 L430 H460T404-E406 PolarHBondContact O-N 2.95Å; T404-E406 WeakPolarHBondContact OG1-CB 3.37Å; T404-E406 PolarHBondContact OG1-N 3.12Å; T404-E406 VanDerWaalsContact OG1-N 3.1Å; T404-E406 PolarHBondContact OG1-OE2 3.45Å; T404-T407 PolarHBondContact N-OG1 2.85Å; T404-T407 VanDerWaalsContact O-CB 3.29Å; T404-T407 WeakPolarHBondContact O-CB 3.44Å; T404-T407 PolarHBondContact O-N 3.22Å; T404-T407 PolarHBondContact O-OG1 2.89Å; T404-L430 WeakPolarHBondContact O-CD2 3.36Å; T404-H460 PolarHBondContact OG1-CE1 2.93Å; T404-H460 VanDerWaalsContact OG1-CE1 3.27Å; T404-H460 PolarHBondContact OG1-ND1 3.14Å
405S96.1Very high96Very high105 Ų10548.6 Ų48.673%0.73427%0.268SS*.THydrogen-bonded Turntrans-60.9-15.3168.3450000113.7
406E95.6Very high95.5Very high101 Ų10148.8 Ų48.847%0.47227%0.269SS..THydrogen-bonded Turntrans-86.2-11.3173.1-52.6145.5126.600112T404 H460 C461T404-E406 PolarHBondContact O-N 2.95Å; T404-E406 WeakPolarHBondContact OG1-CB 3.37Å; T404-E406 PolarHBondContact OG1-N 3.12Å; T404-E406 VanDerWaalsContact OG1-N 3.1Å; T404-E406 PolarHBondContact OG1-OE2 3.45Å; E406-H460 WeakPolarHBondContact O-CA 3.5Å; E406-H460 IonicContact OE2-CE1 3.24Å; E406-C461 PolarHBondContact O-N 3.16Å
407T97.4Very high94.4Very high2 Ų246.8 Ų46.81%0.01227%0.271CS..EExtended strand (participates in β ladder)trans-80.2126.8170.1-50.30000109.8M368 W403 T404 V428 A459 H460 F465M368-T407 HydrophobicContact CE-CG2 4.49Å; W403-T407 WeakPolarHBondContact CA-OG1 3.33Å; W403-T407 HydrophobicContact CB-CG2 3.93Å; W403-T407 HydrophobicContact CD2-CG2 4.19Å; W403-T407 HydrophobicContact CE3-CG2 4.47Å; W403-T407 HydrophobicContact CG-CG2 3.95Å; T404-T407 PolarHBondContact N-OG1 2.85Å; T404-T407 VanDerWaalsContact O-CB 3.29Å; T404-T407 WeakPolarHBondContact O-CB 3.44Å; T404-T407 PolarHBondContact O-N 3.22Å; T404-T407 PolarHBondContact O-OG1 2.89Å; T407-V428 HydrophobicContact CG2-CG2 3.71Å; T407-A459 CarbonylContact C-O 3.55Å; T407-A459 VanDerWaalsContact CA-O 3.3Å; T407-A459 WeakPolarHBondContact CA-O 3.48Å; T407-H460 HydrophobicContact CG2-CB 4.42Å; T407-H460 PolarHBondContact OG1-ND1 3.29Å; T407-H460 VanDerWaalsContact OG1-ND1 3.16Å; T407-F465 HydrophobicContact CG2-CE1 3.91Å; T407-F465 HydrophobicContact CG2-CZ 3.75Å
408K96.8Very high93.4Very high73 Ų7348.9 Ų48.932%0.31728%0.282SS..EExtended strand (participates in β ladder)trans-139.8156.6-177.1-56.7178.7-171.6169.60110.5E425 L458 A459K408-E425 HydrophobicContact CB-CB 4.49Å; K408-E425 HydrophobicContact CD-CB 3.97Å; K408-E425 VanDerWaalsContact CD-CD 3.5Å; K408-E425 HydrophobicContact CD-CG 4.31Å; K408-E425 WeakPolarHBondContact CD-OE2 3.48Å; K408-E425 WeakPolarHBondContact CE-OE2 3.5Å; K408-E425 IonicContact NZ-OE1 3.68Å; K408-E425 IonicContact NZ-OE2 2.79Å; K408-E425 PolarHBondContact NZ-OE2 3.27Å; K408-L458 CarbonylContact O-C 3.55Å; K408-L458 WeakPolarHBondContact O-CA 3.34Å; K408-A459 PolarHBondContact N-O 3.4Å; K408-A459 PolarHBondContact O-N 2.71Å
409L97.1Very high92Very high0 Ų049 Ų490%029%0.286CS..EExtended strand (participates in β ladder)trans-92.7117.4164.1-168.281.4000108.4W393 E425 V426 V428 V439 V441 W456 L458 V469W393-L409 HydrophobicContact CE3-CD2 4.16Å; W393-L409 HydrophobicContact CH2-CD2 4.3Å; W393-L409 HydrophobicContact CZ3-CD2 3.53Å; L409-E425 CarbonylContact O-C 3.55Å; L409-E425 WeakPolarHBondContact O-CA 3.25Å; L409-V426 PolarHBondContact N-O 3.3Å; L409-V426 PolarHBondContact O-N 2.92Å; L409-V428 HydrophobicContact CB-CG1 3.84Å; L409-V439 HydrophobicContact CB-CG1 4.02Å; L409-V439 HydrophobicContact CD1-CG1 4.28Å; L409-V439 HydrophobicContact CD2-CG1 3.88Å; L409-V439 HydrophobicContact CG-CG1 4.27Å; L409-V441 HydrophobicContact CD2-CG2 3.75Å; L409-W456 HydrophobicContact CB-CE3 4.47Å; L409-W456 HydrophobicContact CD1-CB 4.11Å; L409-W456 HydrophobicContact CD2-CB 3.75Å; L409-W456 HydrophobicContact CD2-CD2 3.9Å; L409-W456 HydrophobicContact CD2-CE3 3.68Å; L409-W456 HydrophobicContact CD2-CG 3.94Å; L409-W456 HydrophobicContact CG-CB 3.88Å; L409-W456 HydrophobicContact CG-CD2 4.36Å; L409-W456 HydrophobicContact CG-CE3 3.83Å; L409-W456 HydrophobicContact CG-CG 4.42Å; L409-L458 HydrophobicContact CB-CD2 4.38Å; L409-L458 HydrophobicContact CD1-CD2 3.81Å; L409-L458 HydrophobicContact CD1-CG 4.1Å; L409-V469 HydrophobicContact CD1-CG2 4.16Å
410V95.8Very high90.5Very high27 Ų2751.7 Ų51.716%0.16430%0.304CS..EExtended strand (participates in β ladder)trans-102.1135-175-175.40000110.1E425 W456 R457 A459V410-E425 HydrophobicContact CG2-CG 4.32Å; V410-W456 VanDerWaalsContact C-CE3 3.44Å; V410-W456 WeakPolarHBondContact O-CA 3.43Å; V410-R457 PolarHBondContact N-O 3.18Å; V410-R457 PolarHBondContact O-N 3.27Å; V410-A459 HydrophobicContact CG2-CB 3.68Å
411F95.3Very high88.7Confident52 Ų5257 Ų5723%0.22832%0.323CS..EExtended strand (participates in β ladder)trans-70.2130.5173.3175.5-109.7000110.5W413 R424 W456F411-W413 VanDerWaalsContact CE2-C 3.44Å; F411-W413 WeakPolarHBondContact CE2-O 3.46Å; F411-R424 HydrophobicContact CB-CB 4.22Å; F411-R424 WeakPolarHBondContact CB-O 3.45Å; F411-R424 HydrophobicContact CD1-CG 4.41Å; F411-R424 PolarHBondContact N-O 2.68Å; F411-W456 HydrophobicContact CB-CD2 4.38Å; F411-W456 HydrophobicContact CB-CE3 4.06Å; F411-W456 HydrophobicContact CB-CH2 3.73Å; F411-W456 HydrophobicContact CB-CZ2 4.01Å; F411-W456 HydrophobicContact CB-CZ3 3.74Å; F411-W456 HydrophobicContact CD2-CD2 4.47Å; F411-W456 AromaticContact CD2-CE2 3.85Å; F411-W456 HydrophobicContact CD2-CH2 4.33Å; F411-W456 AromaticContact CD2-CZ2 3.75Å; F411-W456 HydrophobicContact CD2-CZ2 3.75Å; F411-W456 HydrophobicContact CG-CH2 4.44Å; F411-W456 HydrophobicContact CG-CZ2 4.3Å
412M94.1Very high87Confident55 Ų5562.2 Ų62.227%0.27135%0.346SS..EExtended strand (participates in β ladder)trans-102-55.9-176.7-58.5-70.6-60.700111.4H455 R457M412-H455 HydrophobicContact CB-CB 4.46Å; M412-H455 WeakPolarHBondContact CB-O 3.34Å; M412-H455 PolarHBondContact N-O 2.96Å; M412-R457 HydrophobicContact CG-CB 3.99Å; M412-R457 HydrophobicContact SD-CB 3.8Å
413W94Very high85.4Confident117 Ų11767.7 Ų67.744%0.44336%0.36SS..EExtended strand (participates in β ladder)trans-169.1164.2174.561.286.8000110.4F411 H455F411-W413 VanDerWaalsContact CE2-C 3.44Å; F411-W413 WeakPolarHBondContact CE2-O 3.46Å; W413-H455 AromaticContact CD1-CD2 3.39Å; W413-H455 HydrophobicContact CD2-CB 4.25Å; W413-H455 AromaticContact CE2-CD2 3.85Å; W413-H455 AromaticContact CE2-CG 3.81Å; W413-H455 HydrophobicContact CG-CB 4.48Å; W413-H455 HydrophobicContact CZ2-CB 4.17Å; W413-H455 AromaticContact NE1-CD2 3.03Å; W413-H455 PolarHBondContact NE1-CD2 3.5Å; W413-H455 AromaticContact NE1-CG 3.46Å; W413-H455 AromaticContact NE1-NE2 3.59Å; W413-H455 WeakPolarHBondContact O-CB 3.39Å; W413-H455 PolarHBondContact O-N 3.15Å
414G93.1Very high84.7Confident36 Ų3676.5 Ų76.537%0.37139%0.394SS..EExtended strand (participates in β ladder)trans156.8163.4177.700000112.3T453G414-T453 CarbonylContact C-O 3.59Å; G414-T453 WeakPolarHBondContact CA-O 3.42Å
415N90.9Very high84.5Confident88 Ų8878.6 Ų78.647%0.47140%0.4SS..SBendtrans-106.9-7.2172.263.1-27.6000112.8G417 M451 Y452 T453N415-G417 PolarHBondContact O-N 2.95Å; N415-M451 PolarHBondContact ND2-O 3.14Å; N415-Y452 HydrophobicContact CB-CD1 4.21Å; N415-Y452 VanDerWaalsContact ND2-CD1 3.27Å; N415-Y452 WeakPolarHBondContact ND2-CD1 3.15Å; N415-Y452 WeakPolarHBondContact OD1-CA 3.46Å; N415-T453 PolarHBondContact N-O 3.16Å; N415-T453 PolarHBondContact OD1-N 3.08Å; N415-T453 PolarHBondContact OD1-O 2.75Å
416L88.6Confident84.3Confident6 Ų674.9 Ų74.93%0.03137%0.373CS..SBendtrans-76.2115.2172.6175.959.2000110.7F389 F443 T453 C471 I473F389-L416 HydrophobicContact CZ-CD1 4.4Å; F389-L416 HydrophobicContact CZ-CD2 4.06Å; L416-F443 HydrophobicContact CD1-CB 4.5Å; L416-F443 HydrophobicContact CD2-CB 4.33Å; L416-F443 HydrophobicContact CD2-CD1 3.83Å; L416-F443 HydrophobicContact CD2-CD2 4.29Å; L416-F443 HydrophobicContact CD2-CE1 4.17Å; L416-F443 HydrophobicContact CD2-CG 3.9Å; L416-F443 HydrophobicContact CG-CB 4.43Å; L416-F443 HydrophobicContact CG-CD1 3.77Å; L416-F443 HydrophobicContact CG-CE1 4.27Å; L416-F443 HydrophobicContact CG-CG 4.19Å; L416-T453 WeakPolarHBondContact CB-O 3.33Å; L416-T453 PolarHBondContact N-O 3.07Å; L416-C471 HydrophobicContact CD2-CB 4.12Å; L416-I473 HydrophobicContact CD1-CD1 3.7Å; L416-I473 HydrophobicContact CD1-CG1 4.13Å; L416-I473 HydrophobicContact CD2-CG1 4.39Å
417G75.2Confident84.2Confident38 Ų3875.2 Ų75.239%0.39238%0.384SS..  trans-68.2140.1179.100000113.9N415 V444N415-G417 PolarHBondContact O-N 2.95Å; G417-V444 PolarHBondContact O-N 3.33Å
418L76.4Confident84.1Confident44 Ų4475.9 Ų75.923%0.2339%0.388CS..BIsolated β-bridgetrans-70.8153.2171.5-80.2166.2000111.7S420 R423 V441 F443 W456L418-S420 VanDerWaalsContact CB-O 3.28Å; L418-S420 WeakPolarHBondContact CB-O 3.42Å; L418-S420 PolarHBondContact O-N 3.01Å; L418-R423 WeakPolarHBondContact CD1-O 3.34Å; L418-V441 HydrophobicContact CD2-CG1 3.38Å; L418-F443 HydrophobicContact CD2-CD1 4.18Å; L418-F443 HydrophobicContact CD2-CE1 3.87Å; L418-F443 HydrophobicContact CG-CE1 4.48Å; L418-W456 HydrophobicContact CD1-CH2 4.04Å; L418-W456 HydrophobicContact CD1-CZ2 4.3Å; L418-W456 HydrophobicContact CD2-CH2 3.88Å; L418-W456 HydrophobicContact CD2-CZ2 3.74Å; L418-W456 HydrophobicContact CG-CH2 4.41Å; L418-W456 HydrophobicContact CG-CZ2 4.26Å
419A67.4Low84.1Confident54 Ų5474.5 Ų74.545%0.44639%0.387SS..SBendtrans-70.9-6170.200000114.2A442 V444A419-A442 HydrophobicContact CB-CB 3.91Å; A419-A442 WeakPolarHBondContact CB-O 3.42Å; A419-A442 PolarHBondContact N-O 3.39Å; A419-V444 HydrophobicContact CB-CG2 3.85Å
420S63.9Low84.1Confident65 Ų6579.8 Ų79.846%0.45541%0.414SS..SBendtrans-143.7116.3170.4179.20000108.2L418 E422L418-S420 VanDerWaalsContact CB-O 3.28Å; L418-S420 WeakPolarHBondContact CB-O 3.42Å; L418-S420 PolarHBondContact O-N 3.01Å; S420-E422 VanDerWaalsContact C-N 3.27Å; S420-E422 PolarHBondContact O-N 3.47Å
421E59Low84.2Confident193 Ų19378.7 Ų78.790%0.90241%0.408SS*.THydrogen-bonded Turntrans-73.8-17.3-167.3-165.9161.1-161.200113.9
422E58.7Low84.3Confident160 Ų16081 Ų8175%0.74842%0.422SS*.THydrogen-bonded Turntrans-79.3-20.1-172.2-169.9-179.1-122.800114.2S420S420-E422 VanDerWaalsContact C-N 3.27Å; S420-E422 PolarHBondContact O-N 3.47Å
423R63.1Low84.5Confident158 Ų15881.4 Ų81.460%0.59643%0.428SS*.  trans-11994.1-162.6-62.9-170.7-175.8-166.8-0.6114.5L418 E425L418-R423 WeakPolarHBondContact CD1-O 3.34Å; R423-E425 PolarHBondContact O-N 3.35Å
424R83.6Confident84.6Confident190 Ų19077.8 Ų77.872%0.71743%0.428SS*.SBendtrans-720.8167.7-64-174.2-178-170.11.5114.2F411F411-R424 HydrophobicContact CB-CB 4.22Å; F411-R424 WeakPolarHBondContact CB-O 3.45Å; F411-R424 HydrophobicContact CD1-CG 4.41Å; F411-R424 PolarHBondContact N-O 2.68Å
425E91.6Very high84.8Confident86 Ų8680.2 Ų80.240%0.40243%0.429SS..EExtended strand (participates in β ladder)trans-132.9138.8176-55.4-173.8130.800110.2K408 L409 V410 R423K408-E425 HydrophobicContact CB-CB 4.49Å; K408-E425 HydrophobicContact CD-CB 3.97Å; K408-E425 VanDerWaalsContact CD-CD 3.5Å; K408-E425 HydrophobicContact CD-CG 4.31Å; K408-E425 WeakPolarHBondContact CD-OE2 3.48Å; K408-E425 WeakPolarHBondContact CE-OE2 3.5Å; K408-E425 IonicContact NZ-OE1 3.68Å; K408-E425 IonicContact NZ-OE2 2.79Å; K408-E425 PolarHBondContact NZ-OE2 3.27Å; L409-E425 CarbonylContact O-C 3.55Å; L409-E425 WeakPolarHBondContact O-CA 3.25Å; V410-E425 HydrophobicContact CG2-CG 4.32Å; R423-E425 PolarHBondContact O-N 3.35Å
426V92.3Very high85.2Confident27 Ų2779.1 Ų79.116%0.16443%0.425CS..EExtended strand (participates in β ladder)trans-125.4133.6-179178.60000109.2L409 V441 W456L409-V426 PolarHBondContact N-O 3.3Å; L409-V426 PolarHBondContact O-N 2.92Å; V426-V441 HydrophobicContact CB-CG2 4.35Å; V426-V441 HydrophobicContact CG1-CG2 4.26Å; V426-V441 HydrophobicContact CG2-CG2 4.14Å; V426-W456 HydrophobicContact CG2-CH2 4.02Å; V426-W456 HydrophobicContact CG2-CZ3 3.85Å
427P93.1Very high85.6Confident109 Ų10979.4 Ų79.471%0.70843%0.43SS*.EExtended strand (participates in β ladder)trans-65.4151.6178.528-35.8000111.7
428V96.1Very high86.6Confident15 Ų1580.9 Ų80.99%0.09143%0.431CS..  trans-123.8157.9-179.2-48.50000110.4W403 T407 L409 V439 L458W403-V428 HydrophobicContact CE3-CG2 3.82Å; W403-V428 HydrophobicContact CZ3-CG2 4.42Å; T407-V428 HydrophobicContact CG2-CG2 3.71Å; L409-V428 HydrophobicContact CB-CG1 3.84Å; V428-V439 HydrophobicContact CB-CG1 4.37Å; V428-V439 HydrophobicContact CB-CG2 4.38Å; V428-V439 HydrophobicContact CG1-CG1 3.76Å; V428-V439 HydrophobicContact CG1-CG2 4.45Å; V428-L458 HydrophobicContact CG1-CD2 3.84Å
429P96.8Very high87.6Confident45 Ų4578.9 Ų78.929%0.29242%0.421SS..  trans-61.2145.4174.225.1-35.7000112.4L431 V438P429-L431 VanDerWaalsContact C-N 3.26Å; P429-L431 HydrophobicContact CB-CD2 3.9Å; P429-L431 HydrophobicContact CB-CG 4.26Å; P429-L431 HydrophobicContact CG-CD1 4.45Å; P429-L431 HydrophobicContact CG-CD2 4.05Å; P429-L431 HydrophobicContact CG-CG 4.09Å; P429-L431 PolarHBondContact O-N 2.83Å; P429-V438 WeakPolarHBondContact CD-O 3.46Å; P429-V438 WeakPolarHBondContact CG-O 3.2Å
430L97.5Very high88.9Confident110 Ų11079.1 Ų79.158%0.57642%0.419SS*.  trans-78.168.7-177.9-54.5-176.9000111.4W403 T404 L432W403-L430 WeakPolarHBondContact O-CA 2.86Å; T404-L430 WeakPolarHBondContact O-CD2 3.36Å; L430-L432 PolarHBondContact O-N 2.85Å
431L97.7Very high90.4Very high5 Ų576.2 Ų76.23%0.02640%0.399CS..PPolyproline II helixtrans-75.2122.6-172.5-59.9-171000112.9N397 S402 W403 P429 Q435N397-L431 HydrophobicContact CB-CB 3.9Å; N397-L431 PolarHBondContact ND2-O 2.88Å; S402-L431 CarbonylContact C-O 3.59Å; S402-L431 WeakPolarHBondContact CA-O 3.48Å; W403-L431 HydrophobicContact CD2-CB 4.06Å; W403-L431 HydrophobicContact CD2-CG 4.46Å; W403-L431 HydrophobicContact CE3-CB 4.02Å; W403-L431 HydrophobicContact CE3-CD1 3.93Å; W403-L431 HydrophobicContact CE3-CG 3.91Å; W403-L431 HydrophobicContact CG-CB 4.36Å; W403-L431 HydrophobicContact CH2-CD1 3.88Å; W403-L431 HydrophobicContact CZ2-CD1 4.49Å; W403-L431 HydrophobicContact CZ3-CD1 3.58Å; W403-L431 HydrophobicContact CZ3-CG 4.07Å; W403-L431 PolarHBondContact N-O 2.78Å; P429-L431 VanDerWaalsContact C-N 3.26Å; P429-L431 HydrophobicContact CB-CD2 3.9Å; P429-L431 HydrophobicContact CB-CG 4.26Å; P429-L431 HydrophobicContact CG-CD1 4.45Å; P429-L431 HydrophobicContact CG-CD2 4.05Å; P429-L431 HydrophobicContact CG-CG 4.09Å; P429-L431 PolarHBondContact O-N 2.83Å; L431-Q435 HydrophobicContact CB-CB 4.28Å; L431-Q435 HydrophobicContact CD2-CB 4.46Å; L431-Q435 HydrophobicContact CD2-CG 4.06Å
432L97.9Very high92.1Very high101 Ų10169.2 Ų69.253%0.52937%0.374SS..PPolyproline II helixtrans-64.7158.3167.7-58.4-179.9000111.3N397 S402 L430 G434 Q435N397-L432 WeakPolarHBondContact CB-O 3.42Å; N397-L432 PolarHBondContact ND2-O 3.37Å; S402-L432 WeakPolarHBondContact OG-CD2 3.44Å; L430-L432 PolarHBondContact O-N 2.85Å; L432-G434 PolarHBondContact O-N 3.31Å; L432-Q435 HydrophobicContact CB-CB 4.29Å; L432-Q435 WeakPolarHBondContact O-CB 3.29Å; L432-Q435 PolarHBondContact O-N 3.14Å
433P97.7Very high93.8Very high63 Ų6361.6 Ų61.641%0.40934%0.338SS..THydrogen-bonded Turntrans-49.4128.7172.2-30.738.2000112.4S402 Q435S402-P433 WeakPolarHBondContact OG-CD 3.48Å; P433-Q435 VanDerWaalsContact C-N 3.25Å; P433-Q435 PolarHBondContact O-N 2.9Å
434G95.9Very high95.3Very high41 Ų4156 Ų5642%0.42332%0.321SS..THydrogen-bonded Turntrans80.5-12.8-176.400000115.7K396 N397 L432K396-G434 WeakPolarHBondContact CE-O 3.49Å; N397-G434 VanDerWaalsContact O-CA 3.23Å; N397-G434 WeakPolarHBondContact O-CA 3.37Å; N397-G434 PolarHBondContact O-N 2.83Å; L432-G434 PolarHBondContact O-N 3.31Å
435Q97.9Very high95.9Very high87 Ų8746.9 Ų46.941%0.40729%0.287SS..  trans-72.9148.4-178.7-164.7-179.8100112K396 N397 L431 L432 P433K396-Q435 CarbonylContact C-O 3.58Å; K396-Q435 WeakPolarHBondContact CA-O 3.36Å; N397-Q435 PolarHBondContact N-O 3.23Å; L431-Q435 HydrophobicContact CB-CB 4.28Å; L431-Q435 HydrophobicContact CD2-CB 4.46Å; L431-Q435 HydrophobicContact CD2-CG 4.06Å; L432-Q435 HydrophobicContact CB-CB 4.29Å; L432-Q435 WeakPolarHBondContact O-CB 3.29Å; L432-Q435 PolarHBondContact O-N 3.14Å; P433-Q435 VanDerWaalsContact C-N 3.25Å; P433-Q435 PolarHBondContact O-N 2.9Å
436V98.2Very high96Very high64 Ų6444.1 Ų44.139%0.38828%0.277SS..EExtended strand (participates in β ladder)trans-106.1140.6173.7178.90000109.8L373 K394 M395 K396L373-V436 HydrophobicContact CD1-CB 4.44Å; L373-V436 HydrophobicContact CD1-CG1 3.66Å; L373-V436 HydrophobicContact CD1-CG2 3.84Å; K394-V436 HydrophobicContact CG-CG1 3.91Å; M395-V436 WeakPolarHBondContact O-CA 3.48Å; K396-V436 HydrophobicContact CB-CG2 4.01Å; K396-V436 HydrophobicContact CD-CG2 4.27Å; K396-V436 HydrophobicContact CG-CG2 3.94Å
437G96.8Very high96.1Very high13 Ų1348.8 Ų48.813%0.13431%0.305CS..EExtended strand (participates in β ladder)trans-148.9-177.3173.500000112.5K394 M395K394-G437 CarbonylContact C-O 3.59Å; K394-G437 WeakPolarHBondContact CA-O 3.25Å; M395-G437 PolarHBondContact N-O 2.97Å; M395-G437 PolarHBondContact O-N 3.44Å
438V97.5Very high96.2Very high69 Ų6950.1 Ų50.142%0.41830%0.303SS..EExtended strand (participates in β ladder)trans-117.1127-179.1-179.90000108.8Y392 P429Y392-V438 HydrophobicContact CD1-CG1 4.24Å; Y392-V438 HydrophobicContact CD2-CG1 3.79Å; Y392-V438 HydrophobicContact CG-CG1 3.61Å; P429-V438 WeakPolarHBondContact CD-O 3.46Å; P429-V438 WeakPolarHBondContact CG-O 3.2Å
439V96.8Very high96.1Very high1 Ų155.5 Ų55.51%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-106.3127.6173-170.40000107.8Y392 W393 M395 W403 L409 V428Y392-V439 CarbonylContact C-O 3.54Å; Y392-V439 VanDerWaalsContact CA-O 3.25Å; Y392-V439 WeakPolarHBondContact CA-O 3.38Å; W393-V439 PolarHBondContact N-O 3.46Å; W393-V439 PolarHBondContact O-N 2.98Å; M395-V439 HydrophobicContact CB-CG2 4.5Å; M395-V439 HydrophobicContact CG-CG2 4.27Å; M395-V439 HydrophobicContact SD-CG2 3.96Å; W403-V439 HydrophobicContact CZ3-CG2 4.38Å; L409-V439 HydrophobicContact CB-CG1 4.02Å; L409-V439 HydrophobicContact CD1-CG1 4.28Å; L409-V439 HydrophobicContact CD2-CG1 3.88Å; L409-V439 HydrophobicContact CG-CG1 4.27Å; V428-V439 HydrophobicContact CB-CG1 4.37Å; V428-V439 HydrophobicContact CB-CG2 4.38Å; V428-V439 HydrophobicContact CG1-CG1 3.76Å; V428-V439 HydrophobicContact CG1-CG2 4.45Å
440S95.4Very high96Very high60 Ų6054.8 Ų54.842%0.4233%0.328SS..EExtended strand (participates in β ladder)trans-134.1140.1-169.859.50000113.3K391K391-S440 CarbonylContact O-C 3.59Å; K391-S440 WeakPolarHBondContact O-CA 3.15Å
441V95.2Very high96Very high3 Ų353.7 Ų53.72%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-129.2134.5177.21790000109.7I390 K391 W393 L409 L418 V426 F443 W456I390-V441 WeakPolarHBondContact CA-O 3.47Å; K391-V441 PolarHBondContact N-O 2.84Å; K391-V441 PolarHBondContact O-N 2.79Å; W393-V441 HydrophobicContact CH2-CB 4.37Å; W393-V441 HydrophobicContact CH2-CG2 4.13Å; W393-V441 HydrophobicContact CZ3-CB 4.32Å; W393-V441 HydrophobicContact CZ3-CG2 3.78Å; L409-V441 HydrophobicContact CD2-CG2 3.75Å; L418-V441 HydrophobicContact CD2-CG1 3.38Å; V426-V441 HydrophobicContact CB-CG2 4.35Å; V426-V441 HydrophobicContact CG1-CG2 4.26Å; V426-V441 HydrophobicContact CG2-CG2 4.14Å; V441-F443 HydrophobicContact CB-CD2 4.46Å; V441-F443 HydrophobicContact CB-CE2 3.74Å; V441-F443 HydrophobicContact CB-CZ 3.9Å; V441-F443 HydrophobicContact CG1-CD1 4.35Å; V441-F443 HydrophobicContact CG1-CD2 4.2Å; V441-F443 HydrophobicContact CG1-CE1 3.78Å; V441-F443 HydrophobicContact CG1-CE2 3.61Å; V441-F443 HydrophobicContact CG1-CZ 3.37Å; V441-W456 HydrophobicContact CG1-CH2 4.18Å; V441-W456 HydrophobicContact CG1-CZ2 3.87Å; V441-W456 HydrophobicContact CG2-CD2 4.4Å; V441-W456 HydrophobicContact CG2-CE3 4.44Å; V441-W456 HydrophobicContact CG2-CH2 4.46Å; V441-W456 HydrophobicContact CG2-CZ2 4.45Å; V441-W456 HydrophobicContact CG2-CZ3 4.46Å
442A94.3Very high95.9Very high46 Ų4654.8 Ų54.838%0.3833%0.325SS..EExtended strand (participates in β ladder)trans-91.3128.6176.700000111.1F389 I390 A419F389-A442 WeakPolarHBondContact O-CA 3.47Å; I390-A442 HydrophobicContact CG1-CB 4.3Å; A419-A442 HydrophobicContact CB-CB 3.91Å; A419-A442 WeakPolarHBondContact CB-O 3.42Å; A419-A442 PolarHBondContact N-O 3.39Å
443F94.6Very high95.9Very high0 Ų051.5 Ų51.50%031%0.31CS..EExtended strand (participates in β ladder)trans-124.7162.2-176.2-68-69.8000111.2F389 K391 L416 L418 V441 S454 W456 C471F389-F443 HydrophobicContact CD1-CB 4.22Å; F389-F443 HydrophobicContact CD2-CB 4.25Å; F389-F443 HydrophobicContact CE1-CB 3.66Å; F389-F443 HydrophobicContact CE2-CB 3.72Å; F389-F443 AromaticContact CE2-CD2 3.85Å; F389-F443 HydrophobicContact CE2-CD2 3.85Å; F389-F443 HydrophobicContact CE2-CG 4.17Å; F389-F443 HydrophobicContact CZ-CB 3.4Å; F389-F443 VanDerWaalsContact CZ-CB 3.4Å; F389-F443 HydrophobicContact CZ-CD2 4.22Å; F389-F443 HydrophobicContact CZ-CG 4.1Å; F389-F443 PolarHBondContact N-O 3.1Å; F389-F443 PolarHBondContact O-N 2.92Å; K391-F443 HydrophobicContact CB-CD2 4.02Å; K391-F443 HydrophobicContact CB-CE2 3.87Å; L416-F443 HydrophobicContact CD1-CB 4.5Å; L416-F443 HydrophobicContact CD2-CB 4.33Å; L416-F443 HydrophobicContact CD2-CD1 3.83Å; L416-F443 HydrophobicContact CD2-CD2 4.29Å; L416-F443 HydrophobicContact CD2-CE1 4.17Å; L416-F443 HydrophobicContact CD2-CG 3.9Å; L416-F443 HydrophobicContact CG-CB 4.43Å; L416-F443 HydrophobicContact CG-CD1 3.77Å; L416-F443 HydrophobicContact CG-CE1 4.27Å; L416-F443 HydrophobicContact CG-CG 4.19Å; L418-F443 HydrophobicContact CD2-CD1 4.18Å; L418-F443 HydrophobicContact CD2-CE1 3.87Å; L418-F443 HydrophobicContact CG-CE1 4.48Å; V441-F443 HydrophobicContact CB-CD2 4.46Å; V441-F443 HydrophobicContact CB-CE2 3.74Å; V441-F443 HydrophobicContact CB-CZ 3.9Å; V441-F443 HydrophobicContact CG1-CD1 4.35Å; V441-F443 HydrophobicContact CG1-CD2 4.2Å; V441-F443 HydrophobicContact CG1-CE1 3.78Å; V441-F443 HydrophobicContact CG1-CE2 3.61Å; V441-F443 HydrophobicContact CG1-CZ 3.37Å; F443-S454 WeakPolarHBondContact CE1-OG 3.36Å; F443-W456 HydrophobicContact CE1-CZ2 4.24Å; F443-W456 HydrophobicContact CZ-CZ2 4.2Å; F443-W456 AromaticContact CZ-NE1 3.6Å; F443-C471 HydrophobicContact CE2-CB 4.04Å; F443-C471 HydrophobicContact CZ-CB 4.46Å
444V94.4Very high95.8Very high40 Ų4048.5 Ų48.524%0.24229%0.29CS..EExtended strand (participates in β ladder)trans-125125.4168.3-176.30000107.4T387 K388 G417 A419 P446T387-V444 WeakPolarHBondContact O-CA 3.43Å; K388-V444 HydrophobicContact CD-CG2 4.45Å; K388-V444 HydrophobicContact CG-CG1 4.49Å; K388-V444 HydrophobicContact CG-CG2 4.11Å; G417-V444 PolarHBondContact O-N 3.33Å; A419-V444 HydrophobicContact CB-CG2 3.85Å; V444-P446 WeakPolarHBondContact O-CD 3.32Å
445A96.1Very high95.9Very high0 Ų047.9 Ų47.90%028%0.276CS..  trans-59.2124.817000000108.7L383 G386 T387 F389 I473 V475L383-A445 HydrophobicContact CB-CB 4.24Å; G386-A445 WeakPolarHBondContact CA-O 3.47Å; G386-A445 PolarHBondContact N-O 3.03Å; T387-A445 PolarHBondContact O-N 2.79Å; F389-A445 HydrophobicContact CE1-CB 4.42Å; A445-I473 HydrophobicContact CB-CD1 3.91Å; A445-V475 HydrophobicContact CB-CG2 3.95Å
446P94.8Very high95.8Very high28 Ų2843.8 Ų43.818%0.18226%0.257CS..  trans-56.1163.9178.5-32.240.7000113.8P385 G386 V444 M448 Y452P385-P446 WeakPolarHBondContact CA-O 3.47Å; G386-P446 PolarHBondContact N-O 2.83Å; V444-P446 WeakPolarHBondContact O-CD 3.32Å; P446-M448 VanDerWaalsContact C-N 3.35Å; P446-Y452 HydrophobicContact CB-CD1 4.47Å; P446-Y452 HydrophobicContact CB-CE1 4Å; P446-Y452 HydrophobicContact CB-CE2 4.05Å; P446-Y452 HydrophobicContact CG-CD1 3.69Å; P446-Y452 HydrophobicContact CG-CD2 4.12Å; P446-Y452 HydrophobicContact CG-CE1 3.68Å; P446-Y452 HydrophobicContact CG-CE2 4.09Å; P446-Y452 HydrophobicContact CG-CG 3.91Å
447V93.9Very high95.8Very high125 Ų12544.4 Ų44.476%0.75825%0.252SS*.SBendtrans-78.9-23.8179.5-176.20000111.8
448M94.4Very high95.9Very high137 Ų13743.8 Ų43.868%0.67525%0.246SC*.SBendtrans-87.8141.4176.3-177.7177.6-65.500110P446 Y452 V475P446-M448 VanDerWaalsContact C-N 3.35Å; M448-Y452 WeakPolarHBondContact O-CE2 3.34Å; M448-Y452 PolarHBondContact O-OH 3.36Å; M448-V475 WeakPolarHBondContact O-CG1 3.3Å
449E94.9Very high95.9Very high127 Ų12740.7 Ų40.759%0.59323%0.228SC*.  trans-68150.4173.161-174.7-15700112.2V475E449-V475 WeakPolarHBondContact CA-O 3.47Å
450G94.3Very high95.9Very high30 Ų3042.2 Ų42.231%0.30924%0.235SC..EExtended strand (participates in β ladder)trans142.2-170.5177.300000115.4Y452 V474 V475G450-Y452 WeakPolarHBondContact O-CD2 3.09Å; G450-V474 CarbonylContact O-C 3.49Å; G450-V474 WeakPolarHBondContact O-CA 3.37Å; G450-V475 PolarHBondContact N-O 3.46Å; G450-V475 PolarHBondContact O-N 3.13Å
451M96.5Very high95.8Very high87 Ų8743.1 Ų43.143%0.42924%0.24SC..EExtended strand (participates in β ladder)trans-95.3121.7-178.6-178.690.4-80.700110.5N380 N415 S472 I473 V474N380-M451 HydrophobicContact CB-CE 4.26Å; N380-M451 WeakPolarHBondContact OD1-CE 3.28Å; N415-M451 PolarHBondContact ND2-O 3.14Å; M451-S472 WeakPolarHBondContact CE-OG 3.49Å; M451-I473 WeakPolarHBondContact CE-O 3.42Å; M451-V474 HydrophobicContact CE-CB 4.48Å; M451-V474 HydrophobicContact CE-CG2 3.54Å; M451-V474 HydrophobicContact SD-CG2 4.43Å
452Y97.1Very high95.7Very high28 Ų2846 Ų4611%0.1127%0.271CS..EExtended strand (participates in β ladder)trans-126.9125.7-176.7-66.1-82.4000112.1N415 P446 M448 G450 S472 I473 V475N415-Y452 HydrophobicContact CB-CD1 4.21Å; N415-Y452 VanDerWaalsContact ND2-CD1 3.27Å; N415-Y452 WeakPolarHBondContact ND2-CD1 3.15Å; N415-Y452 WeakPolarHBondContact OD1-CA 3.46Å; P446-Y452 HydrophobicContact CB-CD1 4.47Å; P446-Y452 HydrophobicContact CB-CE1 4Å; P446-Y452 HydrophobicContact CB-CE2 4.05Å; P446-Y452 HydrophobicContact CG-CD1 3.69Å; P446-Y452 HydrophobicContact CG-CD2 4.12Å; P446-Y452 HydrophobicContact CG-CE1 3.68Å; P446-Y452 HydrophobicContact CG-CE2 4.09Å; P446-Y452 HydrophobicContact CG-CG 3.91Å; M448-Y452 WeakPolarHBondContact O-CE2 3.34Å; M448-Y452 PolarHBondContact O-OH 3.36Å; G450-Y452 WeakPolarHBondContact O-CD2 3.09Å; Y452-S472 WeakPolarHBondContact O-CA 3.3Å; Y452-I473 PolarHBondContact N-O 2.99Å; Y452-I473 PolarHBondContact O-N 2.99Å; Y452-V475 HydrophobicContact CD2-CB 4.22Å; Y452-V475 HydrophobicContact CD2-CG2 3.73Å; Y452-V475 HydrophobicContact CE2-CB 4.09Å; Y452-V475 HydrophobicContact CE2-CG2 3.96Å
453T97Very high95.7Very high33 Ų3348.3 Ų48.320%0.20228%0.283CS..EExtended strand (participates in β ladder)trans-122.6154.8177.976.30000113.2G414 N415 L416 H455 C471G414-T453 CarbonylContact C-O 3.59Å; G414-T453 WeakPolarHBondContact CA-O 3.42Å; N415-T453 PolarHBondContact N-O 3.16Å; N415-T453 PolarHBondContact OD1-N 3.08Å; N415-T453 PolarHBondContact OD1-O 2.75Å; L416-T453 WeakPolarHBondContact CB-O 3.33Å; L416-T453 PolarHBondContact N-O 3.07Å; T453-H455 PolarHBondContact OG1-NE2 2.94Å; T453-H455 VanDerWaalsContact OG1-NE2 3.16Å; T453-C471 CarbonylContact C-O 3.58Å; T453-C471 WeakPolarHBondContact CA-O 3.36Å
454S96.3Very high95.8Very high0 Ų052.9 Ų52.90%030%0.304CS..EExtended strand (participates in β ladder)trans-140.1120172.2-154.80000109.6F443 W456 W470 C471F443-S454 WeakPolarHBondContact CE1-OG 3.36Å; S454-W456 PolarHBondContact OG-NE1 2.96Å; S454-W470 CarbonylContact O-C 3.56Å; S454-W470 WeakPolarHBondContact O-CA 3.19Å; S454-W470 VanDerWaalsContact O-CB 3.25Å; S454-W470 WeakPolarHBondContact O-CB 3.43Å; S454-C471 PolarHBondContact N-O 2.86Å; S454-C471 PolarHBondContact O-N 3.19Å
455H96.9Very high96Very high28 Ų2851.6 Ų51.613%0.1330%0.296CS..EExtended strand (participates in β ladder)trans-111.2139.2-177.2-59.7-91000111.5M412 W413 T453 R468 W470M412-H455 HydrophobicContact CB-CB 4.46Å; M412-H455 WeakPolarHBondContact CB-O 3.34Å; M412-H455 PolarHBondContact N-O 2.96Å; W413-H455 AromaticContact CD1-CD2 3.39Å; W413-H455 HydrophobicContact CD2-CB 4.25Å; W413-H455 AromaticContact CE2-CD2 3.85Å; W413-H455 AromaticContact CE2-CG 3.81Å; W413-H455 HydrophobicContact CG-CB 4.48Å; W413-H455 HydrophobicContact CZ2-CB 4.17Å; W413-H455 AromaticContact NE1-CD2 3.03Å; W413-H455 PolarHBondContact NE1-CD2 3.5Å; W413-H455 AromaticContact NE1-CG 3.46Å; W413-H455 AromaticContact NE1-NE2 3.59Å; W413-H455 WeakPolarHBondContact O-CB 3.39Å; W413-H455 PolarHBondContact O-N 3.15Å; T453-H455 PolarHBondContact OG1-NE2 2.94Å; T453-H455 VanDerWaalsContact OG1-NE2 3.16Å; H455-R468 HydrophobicContact CB-CG 4.49Å; H455-W470 HydrophobicContact CB-CB 4.35Å; H455-W470 AromaticContact CE1-CG 3.91Å; H455-W470 VanDerWaalsContact ND1-CB 3.26Å; H455-W470 WeakPolarHBondContact ND1-CB 3.41Å; H455-W470 AromaticContact ND1-CG 3.68Å
456W97.6Very high96Very high0 Ų052.7 Ų52.70%031%0.306CS..EExtended strand (participates in β ladder)trans-140.6155.6-166.6-65.580.2000111.6W393 L409 V410 F411 L418 V426 V441 F443 S454 R468 V469W393-W456 AromaticContact CH2-CD1 3.88Å; W393-W456 HydrophobicContact CH2-CG 4.18Å; L409-W456 HydrophobicContact CB-CE3 4.47Å; L409-W456 HydrophobicContact CD1-CB 4.11Å; L409-W456 HydrophobicContact CD2-CB 3.75Å; L409-W456 HydrophobicContact CD2-CD2 3.9Å; L409-W456 HydrophobicContact CD2-CE3 3.68Å; L409-W456 HydrophobicContact CD2-CG 3.94Å; L409-W456 HydrophobicContact CG-CB 3.88Å; L409-W456 HydrophobicContact CG-CD2 4.36Å; L409-W456 HydrophobicContact CG-CE3 3.83Å; L409-W456 HydrophobicContact CG-CG 4.42Å; V410-W456 VanDerWaalsContact C-CE3 3.44Å; V410-W456 WeakPolarHBondContact O-CA 3.43Å; F411-W456 HydrophobicContact CB-CD2 4.38Å; F411-W456 HydrophobicContact CB-CE3 4.06Å; F411-W456 HydrophobicContact CB-CH2 3.73Å; F411-W456 HydrophobicContact CB-CZ2 4.01Å; F411-W456 HydrophobicContact CB-CZ3 3.74Å; F411-W456 HydrophobicContact CD2-CD2 4.47Å; F411-W456 AromaticContact CD2-CE2 3.85Å; F411-W456 HydrophobicContact CD2-CH2 4.33Å; F411-W456 AromaticContact CD2-CZ2 3.75Å; F411-W456 HydrophobicContact CD2-CZ2 3.75Å; F411-W456 HydrophobicContact CG-CH2 4.44Å; F411-W456 HydrophobicContact CG-CZ2 4.3Å; L418-W456 HydrophobicContact CD1-CH2 4.04Å; L418-W456 HydrophobicContact CD1-CZ2 4.3Å; L418-W456 HydrophobicContact CD2-CH2 3.88Å; L418-W456 HydrophobicContact CD2-CZ2 3.74Å; L418-W456 HydrophobicContact CG-CH2 4.41Å; L418-W456 HydrophobicContact CG-CZ2 4.26Å; V426-W456 HydrophobicContact CG2-CH2 4.02Å; V426-W456 HydrophobicContact CG2-CZ3 3.85Å; V441-W456 HydrophobicContact CG1-CH2 4.18Å; V441-W456 HydrophobicContact CG1-CZ2 3.87Å; V441-W456 HydrophobicContact CG2-CD2 4.4Å; V441-W456 HydrophobicContact CG2-CE3 4.44Å; V441-W456 HydrophobicContact CG2-CH2 4.46Å; V441-W456 HydrophobicContact CG2-CZ2 4.45Å; V441-W456 HydrophobicContact CG2-CZ3 4.46Å; F443-W456 HydrophobicContact CE1-CZ2 4.24Å; F443-W456 HydrophobicContact CZ-CZ2 4.2Å; F443-W456 AromaticContact CZ-NE1 3.6Å; S454-W456 PolarHBondContact OG-NE1 2.96Å; W456-R468 WeakPolarHBondContact O-CA 3.35Å; W456-R468 WeakPolarHBondContact O-CG 3.38Å; W456-V469 HydrophobicContact CB-CG2 4.02Å; W456-V469 PolarHBondContact N-O 3.11Å; W456-V469 PolarHBondContact O-N 3.29Å
457R97.8Very high96.1Very high77 Ų7753.6 Ų53.629%0.29131%0.312SS..EExtended strand (participates in β ladder)trans-149.5148.5174.3-162.6171.6-173.4-1562.9111.6V410 M412 Q464 F465 G466V410-R457 PolarHBondContact N-O 3.18Å; V410-R457 PolarHBondContact O-N 3.27Å; M412-R457 HydrophobicContact CG-CB 3.99Å; M412-R457 HydrophobicContact SD-CB 3.8Å; R457-Q464 VanDerWaalsContact NH1-OE1 3.13Å; R457-F465 WeakPolarHBondContact CG-O 3.48Å; R457-F465 PolarHBondContact NE-O 2.59Å; R457-G466 PolarHBondContact NE-O 3.03Å; R457-G466 PolarHBondContact NH2-O 2.91Å
458L98.1Very high96.3Very high0 Ų053.4 Ų53.40%030%0.298CS..EExtended strand (participates in β ladder)trans-70.7141.4173-66.2170000110.6A370 M395 W403 K408 L409 V428 Q464 F465A370-L458 HydrophobicContact CB-CD1 3.58Å; M395-L458 HydrophobicContact CE-CD1 3.8Å; M395-L458 HydrophobicContact CE-CG 4.45Å; M395-L458 HydrophobicContact SD-CD1 4.02Å; M395-L458 HydrophobicContact SD-CG 4.44Å; W403-L458 HydrophobicContact CH2-CD1 3.54Å; W403-L458 HydrophobicContact CZ2-CD1 3.79Å; W403-L458 HydrophobicContact CZ3-CD1 4.08Å; W403-L458 HydrophobicContact CZ3-CD2 4.47Å; K408-L458 CarbonylContact O-C 3.55Å; K408-L458 WeakPolarHBondContact O-CA 3.34Å; L409-L458 HydrophobicContact CB-CD2 4.38Å; L409-L458 HydrophobicContact CD1-CD2 3.81Å; L409-L458 HydrophobicContact CD1-CG 4.1Å; V428-L458 HydrophobicContact CG1-CD2 3.84Å; L458-Q464 CarbonylContact O-C 3.51Å; L458-Q464 WeakPolarHBondContact O-CA 3.21Å; L458-F465 HydrophobicContact CB-CD1 4.1Å; L458-F465 HydrophobicContact CB-CD2 4.4Å; L458-F465 HydrophobicContact CB-CE1 3.67Å; L458-F465 HydrophobicContact CB-CE2 4.02Å; L458-F465 HydrophobicContact CB-CG 4.44Å; L458-F465 HydrophobicContact CB-CZ 3.62Å; L458-F465 HydrophobicContact CD1-CE2 3.87Å; L458-F465 HydrophobicContact CD1-CZ 3.96Å; L458-F465 HydrophobicContact CG-CZ 4.34Å; L458-F465 PolarHBondContact O-N 2.93Å
459A97.4Very high96.5Very high5 Ų547.1 Ų47.14%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-135.6152.716700000110.1T407 K408 V410 C463 Q464T407-A459 CarbonylContact C-O 3.55Å; T407-A459 VanDerWaalsContact CA-O 3.3Å; T407-A459 WeakPolarHBondContact CA-O 3.48Å; K408-A459 PolarHBondContact N-O 3.4Å; K408-A459 PolarHBondContact O-N 2.71Å; V410-A459 HydrophobicContact CG2-CB 3.68Å; A459-C463 CarbonylContact C-O 3.6Å; A459-C463 WeakPolarHBondContact CA-O 3.4Å; A459-Q464 HydrophobicContact CB-CG 4.39Å
460H96.5Very high96.6Very high33 Ų3345.5 Ų45.515%0.15326%0.256CS..EExtended strand (participates in β ladder)trans-136.5126174.1168.673.8000107.6M368 T404 E406 T407 G462 C463 F465M368-H460 HydrophobicContact CE-CB 3.74Å; M368-H460 HydrophobicContact CG-CB 4.39Å; M368-H460 HydrophobicContact SD-CB 4.43Å; T404-H460 PolarHBondContact OG1-CE1 2.93Å; T404-H460 VanDerWaalsContact OG1-CE1 3.27Å; T404-H460 PolarHBondContact OG1-ND1 3.14Å; E406-H460 WeakPolarHBondContact O-CA 3.5Å; E406-H460 IonicContact OE2-CE1 3.24Å; T407-H460 HydrophobicContact CG2-CB 4.42Å; T407-H460 PolarHBondContact OG1-ND1 3.29Å; T407-H460 VanDerWaalsContact OG1-ND1 3.16Å; H460-G462 PolarHBondContact O-N 2.94Å; H460-C463 PolarHBondContact N-O 3.1Å; H460-C463 WeakPolarHBondContact O-CB 3.39Å; H460-C463 PolarHBondContact O-N 3.44Å; H460-F465 HydrophobicContact CB-CD1 4.29Å; H460-F465 HydrophobicContact CB-CE1 3.82Å
461C94.4Very high96.8Very high79 Ų7944.1 Ų44.153%0.53424%0.242SC..THydrogen-bonded Turntrans51.635.6-170.5-560000113.1E406 C463E406-C461 PolarHBondContact O-N 3.16Å; C461-C463 PolarHBondContact O-N 3.25Å
462G91.5Very high96.9Very high64 Ų6440.4 Ų40.466%0.6622%0.224SC*.THydrogen-bonded Turntrans81-18.5-175.300000115.4H460 Q464H460-G462 PolarHBondContact O-N 2.94Å; G462-Q464 PolarHBondContact O-N 3.3Å
463C95.6Very high96.9Very high94 Ų9439.1 Ų39.164%0.63522%0.219SC*.EExtended strand (participates in β ladder)trans-76.9117178.3-63.10000111.4A459 H460 C461A459-C463 CarbonylContact C-O 3.6Å; A459-C463 WeakPolarHBondContact CA-O 3.4Å; H460-C463 PolarHBondContact N-O 3.1Å; H460-C463 WeakPolarHBondContact O-CB 3.39Å; H460-C463 PolarHBondContact O-N 3.44Å; C461-C463 PolarHBondContact O-N 3.25Å
464Q96.7Very high96.9Very high95 Ų9538.9 Ų38.944%0.44422%0.218SC..EExtended strand (participates in β ladder)trans-70.9138.6178.5-65.7-178.313.500112.7R457 L458 A459 G462R457-Q464 VanDerWaalsContact NH1-OE1 3.13Å; L458-Q464 CarbonylContact O-C 3.51Å; L458-Q464 WeakPolarHBondContact O-CA 3.21Å; A459-Q464 HydrophobicContact CB-CG 4.39Å; G462-Q464 PolarHBondContact O-N 3.3Å
465F97.5Very high96.9Very high14 Ų1439 Ų396%0.06122%0.218CC..EExtended strand (participates in β ladder)trans-143.2174176.271.7-82000112.2M368 A370 W403 T407 R457 L458 H460M368-F465 HydrophobicContact CB-CB 4.07Å; M368-F465 HydrophobicContact CB-CD1 4.07Å; M368-F465 HydrophobicContact CB-CD2 3.94Å; M368-F465 HydrophobicContact CB-CE2 4.38Å; M368-F465 HydrophobicContact CB-CG 3.77Å; M368-F465 HydrophobicContact CE-CD1 4.23Å; M368-F465 HydrophobicContact CE-CD2 4.46Å; M368-F465 HydrophobicContact CE-CE1 3.56Å; M368-F465 HydrophobicContact CE-CE2 3.83Å; M368-F465 HydrophobicContact CE-CZ 3.33Å; A370-F465 HydrophobicContact CB-CD2 4.36Å; A370-F465 HydrophobicContact CB-CE2 4.07Å; W403-F465 HydrophobicContact CZ2-CE2 4.24Å; W403-F465 AromaticContact NE1-CE2 3.77Å; W403-F465 AromaticContact NE1-CZ 3.93Å; T407-F465 HydrophobicContact CG2-CE1 3.91Å; T407-F465 HydrophobicContact CG2-CZ 3.75Å; R457-F465 WeakPolarHBondContact CG-O 3.48Å; R457-F465 PolarHBondContact NE-O 2.59Å; L458-F465 HydrophobicContact CB-CD1 4.1Å; L458-F465 HydrophobicContact CB-CD2 4.4Å; L458-F465 HydrophobicContact CB-CE1 3.67Å; L458-F465 HydrophobicContact CB-CE2 4.02Å; L458-F465 HydrophobicContact CB-CG 4.44Å; L458-F465 HydrophobicContact CB-CZ 3.62Å; L458-F465 HydrophobicContact CD1-CE2 3.87Å; L458-F465 HydrophobicContact CD1-CZ 3.96Å; L458-F465 HydrophobicContact CG-CZ 4.34Å; L458-F465 PolarHBondContact O-N 2.93Å; H460-F465 HydrophobicContact CB-CD1 4.29Å; H460-F465 HydrophobicContact CB-CE1 3.82Å
466G97.1Very high96.8Very high22 Ų2240.6 Ų40.623%0.22723%0.228CC..EExtended strand (participates in β ladder)trans66-173.1177.600000115.1R457R457-G466 PolarHBondContact NE-O 3.03Å; R457-G466 PolarHBondContact NH2-O 2.91Å
467P97.6Very high96.1Very high47 Ų4743.4 Ų43.431%0.30525%0.247SC..EExtended strand (participates in β ladder)trans-72.3158.7176.431.5-36000111.8A370 F372 M395A370-P467 VanDerWaalsContact O-CD 3.29Å; A370-P467 WeakPolarHBondContact O-CD 3.32Å; F372-P467 HydrophobicContact CB-CG 4.15Å; M395-P467 HydrophobicContact CE-CG 3.88Å
468R97.9Very high94.9Very high121 Ų12141.9 Ų41.946%0.45726%0.256SS..EExtended strand (participates in β ladder)trans-80.3132163.5-177.6-179.467.9-143.74.9108.3H455 W456 W470H455-R468 HydrophobicContact CB-CG 4.49Å; W456-R468 WeakPolarHBondContact O-CA 3.35Å; W456-R468 WeakPolarHBondContact O-CG 3.38Å; R468-W470 WeakPolarHBondContact O-CZ3 3.46Å
469V98.1Very high92.6Very high6 Ų647.6 Ų47.64%0.03630%0.295CS..EExtended strand (participates in β ladder)trans-116.1160.3174.6-60.30000109.6F372 W393 M395 L409 W456F372-V469 HydrophobicContact CD2-CG1 4.14Å; W393-V469 HydrophobicContact CB-CG1 4.46Å; W393-V469 HydrophobicContact CD2-CB 3.89Å; W393-V469 HydrophobicContact CD2-CG2 3.6Å; W393-V469 HydrophobicContact CE3-CG2 3.84Å; W393-V469 HydrophobicContact CG-CB 3.84Å; W393-V469 HydrophobicContact CG-CG1 4.23Å; W393-V469 HydrophobicContact CG-CG2 4Å; W393-V469 HydrophobicContact CH2-CG2 4.4Å; W393-V469 HydrophobicContact CZ2-CG2 4.2Å; W393-V469 HydrophobicContact CZ3-CG2 4.23Å; M395-V469 HydrophobicContact CE-CG1 4.09Å; M395-V469 HydrophobicContact SD-CG1 4.4Å; L409-V469 HydrophobicContact CD1-CG2 4.16Å; W456-V469 HydrophobicContact CB-CG2 4.02Å; W456-V469 PolarHBondContact N-O 3.11Å; W456-V469 PolarHBondContact O-N 3.29Å
470W97.8Very high90.6Very high93 Ų9350.7 Ų50.735%0.35233%0.328SS..EExtended strand (participates in β ladder)trans-157.2168.1-176.262.285.1000114.4D379 K391 W393 S454 H455 R468D379-W470 VanDerWaalsContact CG-NE1 3.34Å; D379-W470 VanDerWaalsContact OD1-CD1 3.26Å; D379-W470 PolarHBondContact OD1-NE1 2.85Å; D379-W470 PolarHBondContact OD2-NE1 2.78Å; K391-W470 WeakPolarHBondContact CE-O 3.36Å; K391-W470 PolarHBondContact NZ-O 3.4Å; W393-W470 VanDerWaalsContact CZ2-C 3.5Å; W393-W470 WeakPolarHBondContact CZ2-O 3.26Å; W393-W470 PolarHBondContact NE1-O 2.89Å; S454-W470 CarbonylContact O-C 3.56Å; S454-W470 WeakPolarHBondContact O-CA 3.19Å; S454-W470 VanDerWaalsContact O-CB 3.25Å; S454-W470 WeakPolarHBondContact O-CB 3.43Å; H455-W470 HydrophobicContact CB-CB 4.35Å; H455-W470 AromaticContact CE1-CG 3.91Å; H455-W470 VanDerWaalsContact ND1-CB 3.26Å; H455-W470 WeakPolarHBondContact ND1-CB 3.41Å; H455-W470 AromaticContact ND1-CG 3.68Å; R468-W470 WeakPolarHBondContact O-CZ3 3.46Å
471C97.6Very high88.1Confident1 Ų159.2 Ų59.21%0.00736%0.359CS..EExtended strand (participates in β ladder)trans-120.4135.7169.6-171.10000108.2K391 L416 F443 T453 S454K391-C471 HydrophobicContact CB-CB 4.31Å; K391-C471 HydrophobicContact CD-CB 4.11Å; K391-C471 HydrophobicContact CG-CB 3.96Å; L416-C471 HydrophobicContact CD2-CB 4.12Å; F443-C471 HydrophobicContact CE2-CB 4.04Å; F443-C471 HydrophobicContact CZ-CB 4.46Å; T453-C471 CarbonylContact C-O 3.58Å; T453-C471 WeakPolarHBondContact CA-O 3.36Å; S454-C471 PolarHBondContact N-O 2.86Å; S454-C471 PolarHBondContact O-N 3.19Å
472S97.6Very high85.5Confident8 Ų863.2 Ų63.26%0.05638%0.375CS..EExtended strand (participates in β ladder)trans-127125.9167.5-173.80000109.2D379 N380 M451 Y452D379-S472 WeakPolarHBondContact OD1-CB 3.39Å; D379-S472 PolarHBondContact OD1-N 3.41Å; N380-S472 PolarHBondContact N-O 3.03Å; N380-S472 PolarHBondContact OD1-OG 3.32Å; M451-S472 WeakPolarHBondContact CE-OG 3.49Å; Y452-S472 WeakPolarHBondContact O-CA 3.3Å
473I97.8Very high82.7Confident1 Ų163.8 Ų63.81%0.00538%0.381CS..EExtended strand (participates in β ladder)trans-129.8148.4175.566.8164.1000110.9T381 L383 F389 L416 A445 M451 Y452 V475T381-I473 WeakPolarHBondContact O-CA 3.43Å; L383-I473 HydrophobicContact CD1-CB 4.27Å; L383-I473 HydrophobicContact CD1-CD1 3.95Å; L383-I473 HydrophobicContact CD1-CG2 3.88Å; F389-I473 HydrophobicContact CE1-CD1 3.8Å; F389-I473 HydrophobicContact CE2-CG2 4.22Å; F389-I473 HydrophobicContact CZ-CD1 3.86Å; F389-I473 HydrophobicContact CZ-CG2 3.81Å; L416-I473 HydrophobicContact CD1-CD1 3.7Å; L416-I473 HydrophobicContact CD1-CG1 4.13Å; L416-I473 HydrophobicContact CD2-CG1 4.39Å; A445-I473 HydrophobicContact CB-CD1 3.91Å; M451-I473 WeakPolarHBondContact CE-O 3.42Å; Y452-I473 PolarHBondContact N-O 2.99Å; Y452-I473 PolarHBondContact O-N 2.99Å; I473-V475 HydrophobicContact CD1-CG2 4.04Å
474V97.3Very high80.2Confident29 Ų2968.2 Ų68.218%0.17640%0.397CS..EExtended strand (participates in β ladder)trans-98.6123.8165.2178.10000107.5N380 T381 R382 L383 G450 M451 D476N380-V474 HydrophobicContact CB-CG2 4.16Å; T381-V474 PolarHBondContact O-N 2.85Å; R382-V474 CarbonylContact C-O 3.57Å; R382-V474 VanDerWaalsContact CA-O 3.3Å; R382-V474 WeakPolarHBondContact CA-O 3.24Å; R382-V474 HydrophobicContact CG-CB 4.06Å; R382-V474 HydrophobicContact CG-CG1 4.27Å; L383-V474 PolarHBondContact N-O 3.34Å; G450-V474 CarbonylContact O-C 3.49Å; G450-V474 WeakPolarHBondContact O-CA 3.37Å; M451-V474 HydrophobicContact CE-CB 4.48Å; M451-V474 HydrophobicContact CE-CG2 3.54Å; M451-V474 HydrophobicContact SD-CG2 4.43Å; V474-D476 HydrophobicContact CG1-CB 4.49Å
475V96.9Very high77.1Confident3 Ų367 Ų672%0.01841%0.41CS..EExtended strand (participates in β ladder)trans-89.2129.3164.8-179.40000108.4L383 P385 A445 M448 E449 G450 Y452 I473L383-V475 WeakPolarHBondContact O-CA 3.46Å; P385-V475 HydrophobicContact CB-CG1 4.22Å; P385-V475 HydrophobicContact CG-CG1 3.81Å; A445-V475 HydrophobicContact CB-CG2 3.95Å; M448-V475 WeakPolarHBondContact O-CG1 3.3Å; E449-V475 WeakPolarHBondContact CA-O 3.47Å; G450-V475 PolarHBondContact N-O 3.46Å; G450-V475 PolarHBondContact O-N 3.13Å; Y452-V475 HydrophobicContact CD2-CB 4.22Å; Y452-V475 HydrophobicContact CD2-CG2 3.73Å; Y452-V475 HydrophobicContact CE2-CB 4.09Å; Y452-V475 HydrophobicContact CE2-CG2 3.96Å; I473-V475 HydrophobicContact CD1-CG2 4.04Å
476D93.6Very high74.2Confident61 Ų6173.9 Ų73.933%0.32644%0.442SS..  trans-141.8129.5-174.6-171.12.6000108.2R382 L383 P385 V474 G478R382-D476 IonicContact CZ-OD2 2.6Å; R382-D476 IonicContact NH1-OD2 3.85Å; R382-D476 PolarHBondContact NH1-OD2 3.44Å; L383-D476 PolarHBondContact O-N 3.23Å; P385-D476 WeakPolarHBondContact CD-O 3.46Å; V474-D476 HydrophobicContact CG1-CB 4.49Å; D476-G478 PolarHBondContact O-N 2.92Å
477S84.1Confident71.3Confident59 Ų5980.3 Ų80.341%0.41347%0.466SS..  trans-90.898.6-174.6-58.10000109.9S479S477-S479 PolarHBondContact O-N 3.17Å; S477-S479 VanDerWaalsContact O-N 3.1Å
478G72Confident68.2Low45 Ų4582.2 Ų82.246%0.46448%0.481SS..  trans-51.8115.2-171.700000113.8E384 D476 G480E384-G478 PolarHBondContact OE2-N 3.47Å; D476-G478 PolarHBondContact O-N 2.92Å; G478-G480 VanDerWaalsContact C-N 3.29Å; G478-G480 PolarHBondContact O-N 2.82Å
479S50.4Low65.1Low119 Ų11986 Ų8683%0.83250%0.5SS*.  trans-73.275.2-173.1-170.20000113.6S477 R481S477-S479 PolarHBondContact O-N 3.17Å; S477-S479 VanDerWaalsContact O-N 3.1Å; S479-R481 VanDerWaalsContact C-N 3.32Å; S479-R481 PolarHBondContact O-N 3.11Å
480G54.3Low61.9Low71 Ų7196.6 Ų96.673%0.73254%0.54SS*.  trans-78.364.517900000114.4G478G478-G480 VanDerWaalsContact C-N 3.29Å; G478-G480 PolarHBondContact O-N 2.82Å
481R44.8Very low58.8Low212 Ų21299.6 Ų99.680%0.856%0.561SS**  trans172.8115.1149-98.1156.270.8-178.24.6114.1S479S479-R481 VanDerWaalsContact C-N 3.32Å; S479-R481 PolarHBondContact O-N 3.11Å
482N39.8Very low55.6Low163 Ų163103.7 Ų103.787%0.87260%0.596SS**  164.7143.3124.6-81.6-24.8000109.5
483G33.1Very low52.3Low75 Ų75109.8 Ų109.877%0.77363%0.632SS**  cis-149.4179.61.800000112.4
484L42.3Very low48.8Very low187 Ų187115.2 Ų115.298%0.97967%0.669SS**  trans-133.9121.5-168.2-143.9172000110.5
485G32.8Very low45.8Very low69 Ų69119.4 Ų119.471%0.71170%0.699SS**  trans149.3140177.400000111.8
486H35.4Very low42.5Very low160 Ų160124.9 Ų124.974%0.74173%0.733SS**  cis-159.4116.36.1179.4-113.5000112.5
487Q37.1Very low39.3Very low157 Ų157129.5 Ų129.573%0.73476%0.757SS**  trans65.9156.2159.8-68.6-15779.900120.6
488S31.2Very low36.4Very low87 Ų87132.6 Ų132.661%0.60878%0.777SS**  cis-173.4129.1-26178.60000110.7
489K33.5Very low34.3Very low199 Ų199137.9 Ų137.987%0.86579%0.794SS**  trans-177.8104.4151.5-100.4151.5-173.5177.50111.4
490R31.7Very low33.1Very low230 Ų230140.4 Ų140.487%0.86880%0.795SS**  39.9133.1128-71.9-175.6174.4-160.1-2.8119.6
491L32.6Very low31.6Very low155 Ų155146.4 Ų146.481%0.81280%0.804SS**  cis-132.4152.24-63.8100.7000108.6
492A29Very low30.6Very low88 Ų88142.2 Ų142.273%0.72781%0.805SS**  cis72.5132.240.700000113.9
493V28.2Very low29.9Very low136 Ų136144 Ų14482%0.82481%0.809SS**  cis-162.8146.4-1.91160000108.5
494C25.6Very low29.7Very low115 Ų115144.1 Ų144.178%0.77781%0.81SS**  178.7144.2116.6-155.70000113.3
495S34.5Very low28.9Very low116 Ų116140.9 Ų140.981%0.81180%0.802SS**  trans-139.1114.8160171.70000107.7
496T27.3Very low28.4Very low119 Ų119145.3 Ų145.373%0.7381%0.805SS**  trans-172157.1168.9-75.50000107.5
497L25.8Very low28Very low158 Ų158144.5 Ų144.583%0.82781%0.805SS**  trans76.695.7-160.9-52.5177.4000110.7
498C24.1Very low27.4Very low123 Ų123141.8 Ų141.883%0.83181%0.809SS**  cis68.9147.730.7-117.70000114.2
499L27.5Very low27.1Very low156 Ų156145.1 Ų145.182%0.81782%0.819SS**SBendtrans-68157.7-165.6-88.782.1000114.6
500M25.4Very low26.7Very low172 Ų172142.8 Ų142.885%0.84782%0.816SS**  trans72.893163.5-54.4-156-173.700117.8
501E22.8Very low26.5Very low197 Ų197135.5 Ų135.592%0.92180%0.8SS**  -131.4108.2123.7-73-158.7145.400109.2
502C23.4Very low26.4Very low124 Ų124136 Ų13684%0.83880%0.798SS**  trans-151.269.9173.4-116.70000109.7
503Q25.6Very low26.3Very low202 Ų202140.5 Ų140.594%0.94480%0.801SS**  trans-158.9126.2162.1-117.2146.496.300107.7
504G28.2Very low26.2Very low77 Ų77145 Ų14579%0.79480%0.804SS**  trans-101.3-175.3-174.200000113.4
505S25.2Very low26.3Very low118 Ų118150.9 Ų150.983%0.82581%0.809SS**  trans-65147.8152.352.60000109.1
506E23.2Very low25.9Very low163 Ų163155.8 Ų155.876%0.76281%0.81SS**  cis-141.7162.639.8-113.5-167152.300116.4
507I26Very low25.9Very low143 Ų143158.4 Ų158.473%0.73382%0.819SS**  trans59.8105.1157.2-57.5156000116.8
508A25.7Very low25.9Very low100 Ų100159 Ų15983%0.82682%0.817SS**  trans-99.1116.2156.300000110.3
509L24Very low25.9Very low157 Ų157157.8 Ų157.882%0.82282%0.816SS**  trans-151.3132.5146.5-153.772.4000114.5
510N26Very low25.8Very low150 Ų150155.4 Ų155.480%0.80282%0.819SS**  trans92.6148.5148.8-122.5-23000121.1
511S27.6Very low25.9Very low76 Ų76151.7 Ų151.753%0.53182%0.815SS.*  trans-93.1143.6-170.51580000111.6
512H28.6Very low26.9Very low167 Ų167148.6 Ų148.677%0.77381%0.812SS**  -179.9136.1111.9-103.3-63.2000117.6
513K27.1Very low27.1Very low182 Ų182146.2 Ų146.279%0.79181%0.809SS**  80127.9127.6-159.7175.3-165.7172.60120.3
514R26.2Very low27.4Very low231 Ų231146.2 Ų146.287%0.87280%0.801SS**  trans-51.7141.5172.1-47.2164.2-179.8163.8-3.2113.8
515R27.7Very low27.3Very low238 Ų238150.2 Ų150.290%0.89880%0.802SS**  -173.9170.2106-110.4179.3-70.2-1545.8116
516R27.4Very low27.7Very low218 Ų218150.2 Ų150.282%0.82379%0.791SS**  trans-99.5136.4-178.7163.4-164.4-172.7179.24.9110.3
517L26.4Very low28Very low174 Ų174150.1 Ų150.191%0.91180%0.795SS**  trans-159.1162.1146.4-149.565.9000110.6
518E25.9Very low28.4Very low171 Ų171151.8 Ų151.880%0.79980%0.8SS**  trans-107.3159.4-178.8-56.3172145.200111.1
519A24.8Very low28.5Very low97 Ų97157.3 Ų157.380%0.80281%0.805SS**  trans-168.6137.9141.500000113.1
520A25.6Very low29Very low106 Ų106154.2 Ų154.288%0.87680%0.802SS**  trans60.114115100000122.4
521A27.4Very low29.1Very low94 Ų94159.1 Ų159.178%0.77781%0.81SS**  trans-123.4-163.3166.300000107.1
522P43.1Very low29Very low132 Ų132167.3 Ų167.386%0.85783%0.829SS**  cis-132.1-178.9-5.642.1-24.9000114.7
523G28.2Very low28.8Very low74 Ų74164.9 Ų164.976%0.76383%0.83SS**  trans-178.970.8175.900000117.3
524Y30.9Very low28.9Very low202 Ų202162 Ų16279%0.79283%0.828SS**  trans50.9103.5161.7-151.8-98.1000119.9
525M27.1Very low28.8Very low162 Ų162156 Ų15680%0.79883%0.828SS**  trans-14285172.8-114.6-101.27500111.5
526I32.2Very low28.8Very low118 Ų118149.5 Ų149.561%0.60582%0.819SS**  trans-141.9122.3170.9-52.1179000104.6
527L30.8Very low28.9Very low160 Ų160148.1 Ų148.184%0.83882%0.819SS**SBendcis-149.993.849.4-17579.3000112.3
528Q34.2Very low28.9Very low179 Ų179148.1 Ų148.184%0.83681%0.814SS**  trans-150.173.7170.8-164.2-177.444.900112.3
529K28.3Very low28.9Very low216 Ų216146.2 Ų146.294%0.93981%0.809SS**  trans-156.748.5178.8-120.3166.8-168.7174.70115.4
530A33.3Very low29.1Very low92 Ų92150.5 Ų150.576%0.7681%0.81SS**  trans-147.474.8170.500000111.3
531W28.9Very low29Very low253 Ų253154.7 Ų154.796%0.95881%0.805SS**  trans-176.784.3161.6-95.97.3000110.1
532R26Very low29Very low248 Ų248159.4 Ų159.494%0.93681%0.808SS**  trans-171.4136.8159.4-106.2171.4-159.7-153.24.4107.8
533S23.7Very low28.2Very low115 Ų115158.8 Ų158.880%0.80480%0.804SS**  trans65.2136.7-152.4-150.80000111.4
534V28Very low28.3Very low121 Ų121160.2 Ų160.273%0.73380%0.803SS**  cis-101.9144.67.6175.50000112
535A25.6Very low28.5Very low106 Ų106156.4 Ų156.488%0.87680%0.8SS**  trans-136.7104.9162.300000108.9
536S27.7Very low28.7Very low101 Ų101156.2 Ų156.271%0.70680%0.802SS**  trans-138.6132.1177.254.60000110.3
537K29.2Very low29Very low189 Ų189157.2 Ų157.282%0.82281%0.808SS**  trans-46.7148-176.1-54171.3177.9-178.30114.3
538Q26.2Very low29.2Very low175 Ų175156.6 Ų156.682%0.81881%0.805SS**  trans-149.3119.5133.4-153.3158.87.300111.1
539D26.7Very low29.6Very low131 Ų131153.2 Ų153.270%0.70180%0.797SS**  trans-93.4124.9173.9-53-88.2000109.7
540F28Very low30Very low187 Ų187148 Ų14882%0.8279%0.793SS**  trans-163.7114.4155.5-82.7-59.7000107.4
541Y23.6Very low30.2Very low193 Ų193151.7 Ų151.776%0.75780%0.795SS**  94.6109.873.7-175.3-88.4000112
542F26.3Very low30.8Very low193 Ų193145.2 Ų145.285%0.84678%0.779SS**  trans-92.5126.8177.8-71.1-94.4000111.2
543P28.3Very low31.6Very low119 Ų119140.8 Ų140.877%0.77377%0.773SS**  trans-74.6133.4157.2-8.926.7000109.6
544S29.9Very low32.4Very low105 Ų105143.6 Ų143.673%0.73478%0.778SS**  trans-112.9128.9-173.658.20000113.1
545V33.5Very low33Very low121 Ų121141.9 Ų141.973%0.73377%0.771SS**  trans66.5128.3156.1-1800000117.2L547V545-L547 HydrophobicContact CG1-CD1 3.84Å
546D32.4Very low33.7Very low159 Ų159146.8 Ų146.885%0.8577%0.774SS**  trans-142.7153.6130.7-123.2-32.8000110.1
547L38.4Very low34.4Very low139 Ų139150.8 Ų150.873%0.72878%0.781SS**PPolyproline II helixtrans-100.1130-175.2-64.792.2000111.6V545V545-L547 HydrophobicContact CG1-CD1 3.84Å
548L35.3Very low35.1Very low147 Ų147150 Ų15077%0.7779%0.785SS**PPolyproline II helixtrans-102.3130.4155.9-91.670.7000109.8
549T41.6Very low35.6Very low108 Ų108149.1 Ų149.166%0.66379%0.785SS**PPolyproline II helixtrans-86.1168.9179.948.60000111.3Q551T549-Q551 PolarHBondContact O-N 3.49Å
550A38.1Very low36Very low105 Ų105151 Ų15187%0.86880%0.795SS**THydrogen-bonded Turntrans-75.351.6-175.700000114
551Q36.4Very low36.6Very low170 Ų170148.2 Ų148.279%0.79479%0.787SS**THydrogen-bonded Turntrans-126.96.3-176.2-162.6155.3-8.700114.7T549T549-Q551 PolarHBondContact O-N 3.49Å
552D41Very low37Very low118 Ų118146.4 Ų146.463%0.63179%0.791SS**SBendtrans-102.916.1173.6-82.1-43.6000114.3
553L44.4Very low37.5Very low155 Ų155144.6 Ų144.681%0.81279%0.788SS**SBendtrans-111.522.6-175.2-68.8177.3000114.8
554L39.9Very low37.8Very low173 Ų173145.5 Ų145.591%0.90679%0.792SS**SBendtrans-140.448.9-175.3-70.4176.3000114
555S41.3Very low38.2Very low85 Ų85149.7 Ų149.759%0.59480%0.799SS**  trans-145.934.1-176.350.90000115.6
556F38.7Very low38.4Very low210 Ų210153 Ų15392%0.92181%0.807SS**  trans-135.246.1172.1-78.5-70.4000114
557E43.2Very low38.7Very low185 Ų185154.2 Ų154.286%0.86481%0.812SS**SBendtrans-114.5148.2154.7-72.6-166.2139.400109.3
558L44.1Very low38.5Very low172 Ų172154.5 Ų154.590%0.90181%0.81SS**  trans68.897.3-179.7-52.1176.1000116.8
559L36.8Very low38.4Very low156 Ų156155.8 Ų155.882%0.81781%0.809SS**  trans-159.383.7137.9-110.5173.9000110.5I561L559-I561 HydrophobicContact CD2-CD1 3.62Å; L559-I561 HydrophobicContact CD2-CG1 3.84Å
560D35.4Very low38Very low171 Ų171156.3 Ų156.391%0.91481%0.812SS**  trans-84.8122.3164.2-107.4-30.9000108.5
561I40.3Very low37.8Very low128 Ų128156.5 Ų156.566%0.65681%0.805SS**  trans-137.3123.6170.7-65.5-174.4000110.7L559 I563L559-I561 HydrophobicContact CD2-CD1 3.62Å; L559-I561 HydrophobicContact CD2-CG1 3.84Å; I561-I563 HydrophobicContact CG2-CG1 4.36Å
562N32.1Very low37.4Very low156 Ų156154.9 Ų154.983%0.83480%0.801SS**  trans-69.3138.3167.4-79.2-51.6000111
563I35.6Very low36.9Very low154 Ų154156.7 Ų156.779%0.7981%0.811SS**  trans-127.676.7163.7-52.1-177.8000109.6I561I561-I563 HydrophobicContact CG2-CG1 4.36Å
564V34.4Very low36.3Very low139 Ų139155.4 Ų155.484%0.84281%0.81SS**SBendtrans-137.339.5163.5-162.40000110.1
565Q39.7Very low36.2Very low192 Ų192152.7 Ų152.790%0.89780%0.802SS**SBendtrans-167.175.7167.4-124177.2-10.700112.8
566E37.5Very low35.6Very low191 Ų191155.3 Ų155.389%0.89381%0.814SS**  trans-158.140.9155.7-129.5171.1-148.100113.7E568E566-E568 PolarHBondContact O-N 3.24Å
567L38.1Very low35.2Very low184 Ų184149 Ų14996%0.96380%0.801SS**  trans-79.645.6175.7-160.988.7000112.3
568E33.8Very low34.6Very low145 Ų145148.4 Ų148.468%0.67880%0.803SS**  trans-155.579.1-178.8-157.9-166.8-115.900115.3E566E566-E568 PolarHBondContact O-N 3.24Å
569K34.6Very low34.1Very low175 Ų175146.1 Ų146.176%0.76180%0.796SS**  -174.1146.1128.7-95142.7-152.595.80112.4
570V32.3Very low34Very low118 Ų118144 Ų14472%0.71579%0.792SS**  trans-105.3135.6-167.8177.40000111.5N572V570-N572 PolarHBondContact O-N 3.32Å
571P33.1Very low33.8Very low110 Ų110141.8 Ų141.871%0.71479%0.788SS**  trans-84.5102.6162.332.4-29.6000110.4N573P571-N573 PolarHBondContact O-N 2.91Å
572N29.3Very low33.1Very low136 Ų136143.5 Ų143.573%0.72780%0.797SS**  trans-62.9129.3176.5-69.4-21.1000111.5V570V570-N572 PolarHBondContact O-N 3.32Å
573N29.4Very low32.7Very low156 Ų156141 Ų14183%0.83479%0.792SS**  trans-137.679.8166.2-86.2-75.2000109.9P571P571-N573 PolarHBondContact O-N 2.91Å
574T33.6Very low33.3Very low128 Ų128138.9 Ų138.979%0.78579%0.788SS**PPolyproline II helixtrans-82130.9171.5-48.70000109.1
575P35.8Very low32.9Very low115 Ų115139.9 Ų139.975%0.74779%0.788SS**PPolyproline II helixtrans-67.3153177.128.4-34.8000111.9A577P575-A577 PolarHBondContact O-N 3.39Å
576V29.1Very low33.1Very low140 Ų140135.5 Ų135.585%0.84878%0.776SS**PPolyproline II helixtrans-64.3125.2-179171.50000111.1
577A30.3Very low32.6Very low77 Ų77133 Ų13364%0.63677%0.769SS**PPolyproline II helixtrans-88.3146.8165.700000110.9P575P575-A577 PolarHBondContact O-N 3.39Å
578L30.2Very low32.1Very low173 Ų173131.2 Ų131.291%0.90676%0.76SS**PPolyproline II helixtrans-91.7129166-72172.1000109.5
579T33.7Very low31.6Very low125 Ų125129.8 Ų129.877%0.76777%0.766SS**  trans-130.6134.6-177.8-44.60000110.5
580P35.8Very low31.2Very low111 Ų111126.6 Ų126.672%0.72177%0.766SS**  trans-91.3133.4161.733.4-28.4000111.7
581C30.3Very low31Very low124 Ų124128.2 Ų128.284%0.83877%0.77SS**  trans12.5152153-48.70000120.8
582I25.3Very low30.8Very low165 Ų165129.9 Ų129.985%0.84677%0.772SS**  cis-149.2156.745.7-69.7170.1000112.4
583S25.6Very low30.5Very low104 Ų104129.9 Ų129.973%0.72777%0.768SS**  trans-65.9-173.5-177.8-350000116.1
584P48.3Very low30.4Very low108 Ų108131.2 Ų131.270%0.70176%0.761SS**  cis-149.8158.51338.3-14.6000122.8
585L25.8Very low29.8Very low160 Ų160130.1 Ų130.184%0.83875%0.754SS**  trans74.5164.8147.2-65.9163.7000120.4
586P42.5Very low29.2Very low100 Ų100132.5 Ų132.565%0.64976%0.757SS**  -144.1-175.7-6944-24.7000118.1
587N27.7Very low28.9Very low139 Ų139131.5 Ų131.574%0.74375%0.752SS**  trans94.9106.3156-67.816.5000124.6
588D26.8Very low28.6Very low147 Ų147133.2 Ų133.279%0.78676%0.759SS**  62.6150.6123.3-70.4-34.2000128.9
589S24Very low28.3Very low115 Ų115132.9 Ų132.980%0.80475%0.753SS**  trans85.9154.7160.684.10000119.1
590S26.6Very low27.9Very low107 Ų107133 Ų13375%0.74875%0.754SS**  cis-153.7-142.1-17.946.90000114.5
591L28.1Very low27.4Very low153 Ų153135.2 Ų135.280%0.80175%0.752SS**  -150.1163-129.6-77.8164000119.4
592L28.1Very low27.2Very low144 Ų144134.4 Ų134.475%0.75474%0.739SS**  trans69.5136.5164.4-94.475.9000117.4
593E23.9Very low27.1Very low137 Ų137134.8 Ų134.864%0.6474%0.738SS**  83.3146.167.8-81.9-129110.100115.4
594R26.5Very low27.3Very low184 Ų184134.5 Ų134.569%0.69474%0.736SS**  cis-178.11682175.8-162.4-169.1117.5-8.1112.9
595T20.9Very low26.3Very low104 Ų104137.5 Ų137.564%0.63874%0.74SS**  trans82.8119.7151.715.30000124.8
596M23.6Very low26.5Very low165 Ų165134.7 Ų134.781%0.81373%0.73SS**  66.9134125.1-84.4-178.9178.700127.7
597T22.9Very low25.6Very low119 Ų119136.2 Ų136.273%0.7374%0.737SS**  trans80.1132.7135.349.20000125.9
598S23.8Very low25.5Very low114 Ų114132.8 Ų132.880%0.79774%0.735SS**  trans68168.2145.9-610000120.1
599Q24.4Very low25.7Very low166 Ų166130.9 Ų130.978%0.77673%0.728SS**  cis-177.4164.7-42.8-170.3175.972.600106.4
600T25.4Very low26.1Very low127 Ų127136 Ų13678%0.77973%0.73SS**  trans73.3170.1172.475.10000116.1
601K24.1Very low26.4Very low157 Ų157139.7 Ų139.768%0.68373%0.733SS**  cis177.3155.4-44.6-168.8-169.3172.9-76.20105.1
602D26.3Very low26.6Very low107 Ų107138.3 Ų138.357%0.57273%0.725SS**  trans68156.3165.3-64.4-25.1000117.4
603E24.2Very low26.5Very low174 Ų174140.5 Ų140.581%0.81373%0.729SS**  cis-150.1-165.6-39.2-142.6171.9-177.700108.5
604S29.2Very low26.6Very low98 Ų98136.7 Ų136.769%0.68573%0.727SS**  trans-91.4-174.6-170.356.10000115.9
605E28.3Very low26.8Very low170 Ų170134.5 Ų134.579%0.79473%0.733SS**  trans95.6147.5163.6-55.8-144.4121.300118.2
606T28.5Very low27Very low102 Ų102138.5 Ų138.563%0.62674%0.742SS**  cis-162.3176.7-17.630.30000109.9
607T24.3Very low27.1Very low131 Ų131137.8 Ų137.880%0.80474%0.741SS**  trans80.6142.9158.5-45.20000114.9
608G26.1Very low27.1Very low67 Ų67142.6 Ų142.669%0.69175%0.745SS**  cis119.4153.114.200000109.9
609V30.7Very low28.5Very low107 Ų107141.9 Ų141.965%0.64874%0.738SS**  cis-171.2138.220105.60000112.4
610R32Very low28.5Very low224 Ų224142 Ų14285%0.84574%0.736SS**  trans62.3167.4154.3-57166.7-163161.14.9117.9
611K32.2Very low28.4Very low184 Ų184141.4 Ų141.480%0.873%0.728SS**  cis-132.3174.19-95.3-176166.2179.80109.6
612L33.2Very low28.5Very low123 Ų123140 Ų14064%0.64473%0.733SS**  cis-124.9-120.2-4.9-131.9166.2000108.8
613F25.5Very low28.4Very low190 Ų190143 Ų14383%0.83375%0.748SS**  cis-147.8-174.8-18.9-115.8-39.2000105.6
614G27.3Very low28.2Very low58 Ų58142.9 Ų142.960%0.59875%0.747SS**  cis-159.2-19.2400000115.3
615V29.1Very low28.9Very low137 Ų137142.9 Ų142.983%0.8375%0.745SS**  trans79.7113.5160.4-1770000120
616K25Very low28.6Very low188 Ų188141.2 Ų141.282%0.81775%0.746SS**  trans167.1150.5133.4-96.3160.3178.6173.80109.8
617L25.9Very low28.4Very low151 Ų151140.4 Ų140.479%0.79175%0.75SS**  cis-151.5-159.1-20.9-133179.9000109.6
618R24.6Very low28.6Very low219 Ų219143.4 Ų143.483%0.82676%0.755SS**  trans-163.1179.9-168.6-95.4-84.4177.6164.7-1.5109.3
619P51.5Low28.6Very low99 Ų99147.1 Ų147.164%0.64376%0.758SS**  cis-136.2162.3-21.935.5-18.5000116
620K24.6Very low28.6Very low170 Ų170150.3 Ų150.374%0.73977%0.766SS**  174150.4116.6-103.8-178.7157.5-940115.9
621D24.2Very low28.3Very low114 Ų114147.2 Ų147.261%0.6176%0.761SS**  trans49.9118.9142.1-54.6-7.8000125.5
622V25.9Very low28.1Very low128 Ų128145 Ų14578%0.77675%0.752SS**  85.3127.5122.2172.90000123
623L24.8Very low27.8Very low169 Ų169147.9 Ų147.989%0.88576%0.762SS**  trans82.6160.3157.5-115.375.2000123.6
624E19.2Very low28.1Very low171 Ų171144.8 Ų144.880%0.79975%0.75SS**  trans-90.9-174-172.6-113-168.8-172.500112.8
625P44.2Very low28.1Very low98 Ų98149.7 Ų149.764%0.63676%0.757SS**  cis-142.9-161-19.735.2-13000114.5
626V21.6Very low28.2Very low136 Ų136150.6 Ų150.682%0.82476%0.756SS**  trans95.9144.8139.7149.80000121.7
627A23.8Very low28.4Very low85 Ų85147.6 Ų147.670%0.70276%0.759SS**  trans76128.9165.400000120.4
628Q29.1Very low28.4Very low194 Ų194143.3 Ų143.391%0.90775%0.751SS**  trans-130.6140.9153.5-69.4-176.3-10300106.3
629D25.4Very low28.8Very low144 Ų144137.6 Ų137.677%0.7775%0.751SS**  trans-136140.7171.3-91.1-41.3000109.3
630E31.3Very low27.7Very low175 Ų175141.2 Ų141.282%0.81876%0.759SS**  trans58.3163.4148.1-62.6-162.4139.300118.2
631E26.9Very low27.8Very low158 Ų158141.3 Ų141.374%0.73876%0.76SS**  cis-141.7146.3-4.5-118.9174.513700105.5
632K26.9Very low28.5Very low137 Ų137143.3 Ų143.360%0.59677%0.769SS**  76.3113.472-165.7178.7-177.5-75.20116.2E634K632-E634 WeakPolarHBondContact CE-OE1 3.41Å; K632-E634 IonicContact NZ-OE1 3.34Å; K632-E634 PolarHBondContact NZ-OE1 3.33Å; K632-E634 IonicContact NZ-OE2 2.66Å; K632-E634 PolarHBondContact NZ-OE2 3.15Å
633E28.2Very low28.5Very low185 Ų185143.8 Ų143.886%0.86478%0.777SS**  trans-172.4131.7155.6-105.6172.3-168.900105.5
634E30.3Very low28.5Very low125 Ų125144.1 Ų144.158%0.58477%0.774SS**  cis63.4131.124.4-63.1169.4-169.900112.7K632K632-E634 WeakPolarHBondContact CE-OE1 3.41Å; K632-E634 IonicContact NZ-OE1 3.34Å; K632-E634 PolarHBondContact NZ-OE1 3.33Å; K632-E634 IonicContact NZ-OE2 2.66Å; K632-E634 PolarHBondContact NZ-OE2 3.15Å
635E27.5Very low29Very low160 Ų160141.4 Ų141.475%0.74877%0.769SS**  cis-151.9139.6-4.6-103.1-176.4132.600108.3
636I31.4Very low28.2Very low156 Ų156141.6 Ų141.680%0.877%0.768SS**  51.310499.8-52.2178.2000116.9
637S29Very low28.5Very low125 Ų125140.8 Ų140.887%0.87476%0.758SS**  trans-177.2150.4145.9-166.40000110.3
638G26.6Very low28.6Very low62 Ų62146.7 Ų146.764%0.63976%0.762SS**  cis158.9131.9-1000000113.5
639A31.5Very low28.6Very low98 Ų98142 Ų14281%0.8175%0.751SS**  trans65.8169.717200000116.6
640Q28.5Very low28.7Very low175 Ų175142.4 Ų142.482%0.81875%0.752SS**  cis-150.8145.113.2-161.7168.9-29.700114.3
641F27.2Very low28.7Very low173 Ų173139.9 Ų139.976%0.75975%0.749SS**  trans-3.1124.4159.3-67.8-103.4000119.6
642L39.4Very low28.8Very low155 Ų155138.6 Ų138.681%0.81275%0.747SS**  67.612294.5-66.4-170.2000117.3
643C25.2Very low28.8Very low138 Ų138140.9 Ų140.993%0.93276%0.759SS**  trans-146.5164.6155-102.30000109.2
644E25Very low28.9Very low176 Ų176139.5 Ų139.582%0.82275%0.753SS**  trans-127.7124.6-153.4-175.8174.2167.500115.4
645T30.7Very low29.1Very low114 Ų114137.2 Ų137.270%0.69976%0.756SS**  trans61.8154.3148.2-52.60000121.1
646V27.4Very low29.6Very low102 Ų102135 Ų13562%0.61876%0.755SS**  trans139102.5136.5174.20000115.3
647I26.9Very low29.6Very low120 Ų120133.3 Ų133.362%0.61575%0.748SS**  trans53.8145.5130.2-47.2174.9000117.3
648R27.3Very low29.6Very low209 Ų209135.5 Ų135.579%0.78974%0.744SS**  cis-155.1152.641.3-7-165.282.387.8-7.7109.9
649S27.9Very low29.6Very low95 Ų95143.2 Ų143.266%0.66475%0.754SS**  cis95.9120.225.7-55.50000115.6
650L27.3Very low29.8Very low152 Ų152144 Ų14480%0.79675%0.75SS**  trans169.7122.9161.9-102.4167.4000107.3L652L650-L652 HydrophobicContact CD2-CG 4.39Å
651T31.4Very low29.7Very low123 Ų123141.5 Ų141.576%0.75574%0.742SS**  cis82.485.6-8.474.80000120.4
652L30.1Very low29.9Very low131 Ų131140.7 Ų140.769%0.68673%0.734SS**  trans-144.3159.7153.4-75.4178.4000108L650 E654L650-L652 HydrophobicContact CD2-CG 4.39Å; L652-E654 HydrophobicContact CD2-CB 4.11Å; L652-E654 WeakPolarHBondContact CD2-OE2 3.3Å
653E25.9Very low29.4Very low185 Ų185141.7 Ų141.786%0.86473%0.727SS**  cis-99.4154.35.3-61.6160.7125.400110.8
654E31.3Very low29.6Very low155 Ų155139.8 Ų139.872%0.72472%0.721SS**  cis79.1131.532.1-162.8158.3-147.900112.3L652L652-E654 HydrophobicContact CD2-CB 4.11Å; L652-E654 WeakPolarHBondContact CD2-OE2 3.3Å
655A32.9Very low30Very low78 Ų78140 Ų14065%0.64572%0.719SS**  cis-159.1-174.710.300000110.5
656P38.8Very low30.1Very low113 Ų113142.4 Ų142.473%0.73472%0.722SS**  cis-138.2173.7-35.340.1-23.4000114.7
657D30.8Very low30.1Very low121 Ų121143.2 Ų143.265%0.64773%0.732SS**  trans41.1142.8144.1-97.3-57.8000123.2
658H29.8Very low30Very low170 Ų170143.2 Ų143.279%0.78774%0.743SS**  cis-149173.932.3-78.4-57.2000115.2
659R26.7Very low30.1Very low225 Ų225141.4 Ų141.485%0.84975%0.748SS**  trans-64.6-176.9-175.7-52.1170175.7-179-4.2117.3
660P34.5Very low29.7Very low114 Ų114146.5 Ų146.574%0.7476%0.758SS**  -143.4174.3-57.443.6-25.9000117.6
661L26.7Very low30.2Very low123 Ų123144.4 Ų144.464%0.64475%0.754SS**  trans48.3122.2148.6-105.172.6000126.7
662R31.1Very low30.1Very low155 Ų155146.5 Ų146.559%0.58576%0.755SS**  trans61.2153.9143.9-69.4175.3-179.7-174.51.4119.3A678 E679R662-A678 PolarHBondContact NH1-O 3.41Å; R662-E679 VanDerWaalsContact CZ-CD 3.44Å; R662-E679 IonicContact CZ-OE1 3.3Å; R662-E679 IonicContact CZ-OE2 3.32Å; R662-E679 IonicContact NE-OE2 3.96Å; R662-E679 IonicContact NH1-OE1 2.72Å; R662-E679 PolarHBondContact NH1-OE1 2.91Å; R662-E679 IonicContact NH1-OE2 2.62Å; R662-E679 PolarHBondContact NH1-OE2 3.35Å; R662-E679 IonicContact NH2-OE1 2.71Å; R662-E679 PolarHBondContact NH2-OE1 3.43Å; R662-E679 IonicContact NH2-OE2 2.68Å; R662-E679 PolarHBondContact NH2-OE2 3.34Å
663R29.7Very low30.2Very low176 Ų176146.9 Ų146.966%0.66476%0.758SS**  cis-152170.211.9-166.1-166.9-90.3122.7-4110.9F676 G677R663-F676 PolarHBondContact NH1-O 2.84Å; R663-F676 VanDerWaalsContact NH1-O 3.1Å; R663-G677 PolarHBondContact NH2-O 3.37Å
664A29.1Very low30.7Very low99 Ų99143.6 Ų143.682%0.81875%0.753SS**  trans92.4-177.2153.200000119.7
665K34.8Very low30.7Very low180 Ų180144.2 Ų144.278%0.78376%0.756SS**  trans-129.6144.2-134.1-142.3-173.7-178.9-170.90115.5
666H30.9Very low30.5Very low164 Ų164149.4 Ų149.476%0.75976%0.764SS**  trans67.1137.3168-67.4-68.1000119.8
667S27.5Very low30Very low119 Ų119145.6 Ų145.683%0.83275%0.745SS**  trans-87.6121.9179.852.70000113.1
668S25.8Very low29.9Very low120 Ų120143.4 Ų143.484%0.83974%0.744SS**  trans-158.7151.5143.2-163.70000110.6K670S668-K670 PolarHBondContact O-N 2.9Å
669L28.4Very low29.8Very low172 Ų172140.8 Ų140.890%0.90173%0.732SS**SBendtrans-88.787-177.4-85.8164.1000112.1
670K21.3Very low30Very low201 Ų201136.3 Ų136.387%0.87473%0.725SS**  trans-176.5161142.3-100.1177.4177.6-176.80110.3S668S668-K670 PolarHBondContact O-N 2.9Å
671P36.9Very low30Very low108 Ų108136.9 Ų136.970%0.70172%0.722SS**  -116.2161.6-127.840.3-34.6000117.6
672Q29.6Very low30.4Very low167 Ų167137.3 Ų137.378%0.7873%0.725SS**  158.5120.5125.7-83.8-175.9-80.900115.4
673D30.8Very low30.7Very low139 Ų139137.2 Ų137.274%0.74373%0.731SS**  trans73.1159138-54.1-30.3000123.6
674P37.9Very low31Very low117 Ų117134.6 Ų134.676%0.7673%0.73SS**  trans-130.8178.3-142.543.7-30.5000121.6
675E31.1Very low31.3Very low167 Ų167136.9 Ų136.978%0.7872%0.722SS**  trans146.3137.9136.6-77.3-156.3132.600121.7
676F27.9Very low31.3Very low187 Ų187137 Ų13782%0.8273%0.725SS**  trans45151.9148.8-93.6-96.6000129.5R663R663-F676 PolarHBondContact NH1-O 2.84Å; R663-F676 VanDerWaalsContact NH1-O 3.1Å
677G28.3Very low31.3Very low33 Ų33134.6 Ų134.634%0.3472%0.721SS.*  trans94.8156.1158.800000119R663R663-G677 PolarHBondContact NH2-O 3.37Å
678A29Very low31.4Very low75 Ų75136.1 Ų136.162%0.6272%0.72SS**  cis-166.3176.5-9.800000109.9R662R662-A678 PolarHBondContact NH1-O 3.41Å
679E28.8Very low31.6Very low116 Ų116138 Ų13854%0.54272%0.715SS.*  trans-163.7-170.2-173.9-141.987.2-10000115.6R662R662-E679 VanDerWaalsContact CZ-CD 3.44Å; R662-E679 IonicContact CZ-OE1 3.3Å; R662-E679 IonicContact CZ-OE2 3.32Å; R662-E679 IonicContact NE-OE2 3.96Å; R662-E679 IonicContact NH1-OE1 2.72Å; R662-E679 PolarHBondContact NH1-OE1 2.91Å; R662-E679 IonicContact NH1-OE2 2.62Å; R662-E679 PolarHBondContact NH1-OE2 3.35Å; R662-E679 IonicContact NH2-OE1 2.71Å; R662-E679 PolarHBondContact NH2-OE1 3.43Å; R662-E679 IonicContact NH2-OE2 2.68Å; R662-E679 PolarHBondContact NH2-OE2 3.34Å
680N30.5Very low31.7Very low131 Ų131134.5 Ų134.570%0.70170%0.701SS**  trans81.4154.2169.4-61.752000119.5
681D33.2Very low32.3Very low126 Ų126132.7 Ų132.767%0.67470%0.697SS**  cis-171.4174.4-15.9-96.8-11.8000113.2
682N36Very low32.1Very low131 Ų131136.7 Ų136.770%0.70171%0.707SS**  trans63.7168.2159-73.624.5000120
683E36.4Very low32Very low153 Ų153134.8 Ų134.872%0.71570%0.702SS**  cis-167.4-179.8-16.7-107.7-177.8100.400107.6
684D37Very low31.8Very low122 Ų122135.7 Ų135.765%0.65270%0.704SS**  cis-174.1168.3-48.7-177.129.5000111.2
685K36Very low31.4Very low147 Ų147137.8 Ų137.864%0.63970%0.701SS**  trans73.1108.3165.7-52.3-173.6179.755.90123.5
686E33.5Very low31.1Very low181 Ų181135.1 Ų135.185%0.84669%0.688SS**  60.7149.6113.8-143.2-168.817500124.9
687V30.9Very low31.1Very low114 Ų114134.6 Ų134.669%0.69169%0.686SS**  trans112.3116.4147.7-179.50000121.7
688L31Very low30.9Very low151 Ų151141 Ų14179%0.79171%0.712SS**  trans76.5131.4150.4-114.974.7000127.2
689H29Very low30.8Very low160 Ų160143.4 Ų143.474%0.74172%0.723SS**  trans67.2107.9133.7-105.8-126.8000125.4
690T30.3Very low30.6Very low99 Ų99144.8 Ų144.861%0.60773%0.729SS**  66.9104.8111-52.10000122.6
691M33.9Very low30.5Very low163 Ų163146 Ų14680%0.80373%0.729SS**  trans43.5114.5138.7-57.4-173.380.800122.5
692Q33.2Very low30.2Very low191 Ų191148.4 Ų148.489%0.89374%0.736SS**  -162.2130.6121.5-98.8148.426.300107.3
693N27.4Very low29.8Very low128 Ų128151.3 Ų151.368%0.68475%0.745SS**  cis81.3142.240-162.511.8000113.3
694M27.5Very low29.3Very low158 Ų158147.2 Ų147.278%0.77874%0.744SS**  trans76.1145.1177.7-60.2-156.1-163.400117.3
695K27.6Very low28.8Very low160 Ų160152 Ų15270%0.69675%0.753SS**  cis-171.6163.5-21.3-162.2-177.7175.4-1550110.4
696E25.7Very low28.2Very low112 Ų112150.2 Ų150.252%0.52376%0.755SS.*  trans91.3138.3140.4-114169-122.100123
697K27.2Very low28Very low175 Ų175151.5 Ų151.576%0.76175%0.752SS**  trans78.3110.5150.6-79.2149.9-179.5162.40122.4
698N25.8Very low27.9Very low167 Ų167153.1 Ų153.189%0.89375%0.752SS**  trans-57.2153.2149.1-80.2-11.3000112.6
699C25.1Very low27.6Very low127 Ų127152.6 Ų152.686%0.85875%0.75SS**  trans-153.6163.1135.6-147.40000112.2
700E25.9Very low28Very low144 Ų144155.7 Ų155.767%0.67376%0.755SS**  trans-83.2-178.4-154.8-47.7172.3146.200118.3
701K27.6Very low27.8Very low158 Ų158158.4 Ų158.469%0.68777%0.766SS**  trans80.6127.8158.6-70.6163.6176.9109.10116.8
702E26.8Very low28.2Very low176 Ų176159.1 Ų159.182%0.82277%0.767SS**  71.8134.764.4-68.6-169.6147.100113.4
703E27.8Very low27.9Very low191 Ų191155.8 Ų155.889%0.89376%0.759SS**  cis-99.9-138.3-8.1-59.6-16955.900111.8
704G25.5Very low27.8Very low67 Ų67154.1 Ų154.169%0.69176%0.758SS**  cis-177.4157.1-4.600000119.3
705R27.6Very low28Very low223 Ų223151.2 Ų151.284%0.84275%0.753SS**  trans17.6129.4154.9-129.4-174.9-172.1-161.22.5123.3
706T24Very low28.2Very low110 Ų110152.1 Ų152.168%0.67576%0.76SS**  trans60.3125.3146.939.30000119.7
707R27.5Very low28.3Very low208 Ų208152.4 Ų152.479%0.78577%0.77SS**  61.8104.669-160.1-144.3152.6152.7-12.3109.5
708E29.6Very low28.7Very low147 Ų147148.4 Ų148.469%0.68776%0.763SS**  -161.4136.770-85.8-173.4150.400110.9
709D24.5Very low29Very low141 Ų141145.7 Ų145.775%0.75476%0.757SS**  101.9-174.6101.4-157.972.4000112.6
710W37.1Very low29.1Very low225 Ų225146.4 Ų146.485%0.85276%0.758SS**  trans-90.9161.5-151.7-56.581.8000117
711D25.7Very low29.5Very low156 Ų156144.3 Ų144.383%0.83476%0.759SS**  trans-149.4148.8147.4-140.5-28.4000112.9
712E42.7Very low29.7Very low178 Ų178141.9 Ų141.983%0.83276%0.762SS**  trans-146.7104.9-174.8-175-173.3146.900112
713V28.2Very low30.2Very low120 Ų120136.9 Ų136.973%0.72775%0.746SS**  trans-142.6107.2178.3179.20000107.2
714S24.8Very low30.4Very low93 Ų93134.8 Ų134.865%0.6574%0.741SS**  57.8134.384.7-64.90000113.8
715S31Very low30.9Very low98 Ų98137.3 Ų137.369%0.68574%0.739SS**  cis-147.4141.320.4-40.20000110.4
716Q32.8Very low31.4Very low178 Ų178137 Ų13783%0.83274%0.74SS**  64.814498.6-61.6-168.926.500116.5
717T27.6Very low32.3Very low119 Ų119139 Ų13973%0.7374%0.744SS**  cis-160.7153.47.4159.30000109.8
718S34.8Very low33.3Very low90 Ų90135.5 Ų135.563%0.62974%0.74SS**  cis-177.8-173.8-26.664.20000108.2
719S32Very low34.2Very low110 Ų110134.7 Ų134.777%0.76974%0.744SS**  trans75.2144.8164.6-50.60000115.6
720V28.6Very low35.4Very low142 Ų142132 Ų13286%0.86173%0.73SS**  cis-128.6161.29.8178.40000110.5
721S33.5Very low36.8Very low100 Ų100125.6 Ų125.670%0.69972%0.717SS**  trans-72.1154.4178-167.80000114.6
722S32.6Very low37.6Very low108 Ų108126.7 Ų126.776%0.75572%0.723SS**  trans-146.9101148.8-166.60000109.9
723S36.3Very low37.8Very low70 Ų70123.7 Ų123.749%0.4972%0.72SS.*  trans-85.9133.5157.3370000108.2D725S723-D725 VanDerWaalsContact CB-OD2 3.23Å; S723-D725 WeakPolarHBondContact CB-OD2 3.14Å; S723-D725 PolarHBondContact O-N 3.2Å; S723-D725 PolarHBondContact OG-OD2 3.41Å
724D32.7Very low38.5Very low148 Ų148123.6 Ų123.679%0.79171%0.71SS**  trans-74.765.6167-73.7-55.2000110Y726D724-Y726 PolarHBondContact O-N 3.23Å
725D34.7Very low39.9Very low119 Ų119124 Ų12464%0.63671%0.705SS**  trans-70.8112.3165.9-74.1-62.5000108.2S723 I727S723-D725 VanDerWaalsContact CB-OD2 3.23Å; S723-D725 WeakPolarHBondContact CB-OD2 3.14Å; S723-D725 PolarHBondContact O-N 3.2Å; S723-D725 PolarHBondContact OG-OD2 3.41Å; D725-I727 PolarHBondContact O-N 2.97Å
726Y39.8Very low40.8Very low218 Ų218125.2 Ų125.286%0.85571%0.708SS**  trans-64.893.9-179.8-74.9-89.6000111.4D724 I728D724-Y726 PolarHBondContact O-N 3.23Å; Y726-I728 PolarHBondContact O-N 3.13Å
727I42.3Very low41.3Very low150 Ų150121 Ų12177%0.76970%0.699SS**  trans-6999.8170.2-58178.1000108.5D725 V729D725-I727 PolarHBondContact O-N 2.97Å; I727-V729 HydrophobicContact CG2-CG2 4.25Å; I727-V729 PolarHBondContact O-N 3.29Å
728I48.5Very low42.5Very low135 Ų135124.6 Ų124.669%0.69270%0.699SS**  trans-77.7103.3166.7-58.3176.6000107.4Y726 L730Y726-I728 PolarHBondContact O-N 3.13Å; I728-L730 HydrophobicContact CG2-CD2 3.95Å; I728-L730 HydrophobicContact CG2-CG 4.32Å; I728-L730 PolarHBondContact O-N 2.97Å
729V48.3Very low42.9Very low130 Ų130126.1 Ų126.179%0.78871%0.707SS**  trans-70.1108168-177.50000107.9I727I727-V729 HydrophobicContact CG2-CG2 4.25Å; I727-V729 PolarHBondContact O-N 3.29Å
730L49.1Very low43.6Very low85 Ų85129.5 Ų129.545%0.44572%0.715SS.*  trans-84.6148.6169.4-64.5173.7000109.3I728 F734I728-L730 HydrophobicContact CG2-CD2 3.95Å; I728-L730 HydrophobicContact CG2-CG 4.32Å; I728-L730 PolarHBondContact O-N 2.97Å; L730-F734 HydrophobicContact CB-CB 4.07Å; L730-F734 HydrophobicContact CB-CG 4.41Å; L730-F734 HydrophobicContact CD1-CB 4.28Å; L730-F734 HydrophobicContact CD1-CD1 3.7Å; L730-F734 HydrophobicContact CD1-CE1 4.14Å; L730-F734 HydrophobicContact CD1-CG 3.9Å
731P66.3Low44.4Very low90 Ų90125.5 Ų125.558%0.58470%0.703SS**  trans-60153.6174.4-22.734000112.6C733 F734P731-C733 PolarHBondContact O-N 3.47Å; P731-F734 PolarHBondContact O-N 3.11Å; P731-F734 VanDerWaalsContact O-N 3.16Å
732D44.3Very low44.8Very low180 Ų180130.5 Ų130.596%0.96372%0.715SS**THydrogen-bonded Turntrans-62.20.8-170.5-56-56.3000116.2
733C46.2Very low44.8Very low114 Ų114130.8 Ų130.877%0.7772%0.717SS**THydrogen-bonded Turntrans-91.21.8174.759.20000114.5P731 D735P731-C733 PolarHBondContact O-N 3.47Å; C733-D735 PolarHBondContact O-N 3.48Å
734F43.2Very low44.8Very low119 Ų119136.1 Ų136.152%0.52274%0.737SS.*  trans-9780.1-171.9-140.8-83.7000114L730 P731 T736L730-F734 HydrophobicContact CB-CB 4.07Å; L730-F734 HydrophobicContact CB-CG 4.41Å; L730-F734 HydrophobicContact CD1-CB 4.28Å; L730-F734 HydrophobicContact CD1-CD1 3.7Å; L730-F734 HydrophobicContact CD1-CE1 4.14Å; L730-F734 HydrophobicContact CD1-CG 3.9Å; P731-F734 PolarHBondContact O-N 3.11Å; P731-F734 VanDerWaalsContact O-N 3.16Å; F734-T736 PolarHBondContact O-N 3.45Å
735D54.1Low44.8Very low100 Ų100139.6 Ų139.654%0.53574%0.74SS.*  trans-66.6123.3174.317811.6000111.9C733 S737C733-D735 PolarHBondContact O-N 3.48Å; D735-S737 WeakPolarHBondContact OD1-CB 3.4Å; D735-S737 PolarHBondContact OD1-N 3.15Å; D735-S737 PolarHBondContact OD1-OG 3.25Å; D735-S737 PolarHBondContact OD2-OG 3.44Å
736T49.1Very low44.7Very low124 Ų124138.8 Ų138.876%0.76174%0.743SS**  trans-96.42.1-179.151.80000114F734 R738F734-T736 PolarHBondContact O-N 3.45Å; T736-R738 VanDerWaalsContact C-N 3.26Å; T736-R738 PolarHBondContact O-N 3.39Å
737S44.1Very low44.3Very low91 Ų91134 Ų13464%0.63674%0.742SS**SBendtrans-77.1-3.8-17772.10000115.1D735D735-S737 WeakPolarHBondContact OD1-CB 3.4Å; D735-S737 PolarHBondContact OD1-N 3.15Å; D735-S737 PolarHBondContact OD1-OG 3.25Å; D735-S737 PolarHBondContact OD2-OG 3.44Å
738R51.3Low43.6Very low194 Ų194131.7 Ų131.773%0.73275%0.745SS**SBendtrans-120.2138.3-176.7-58.2-173.5-175.7-143.3-0.2112.1T736T736-R738 VanDerWaalsContact C-N 3.26Å; T736-R738 PolarHBondContact O-N 3.39Å
739P43.9Very low42.6Very low121 Ų121133.8 Ų133.879%0.78675%0.754SS**  trans-68.9144.2176.129.8-34.5000111.2G741P739-G741 VanDerWaalsContact C-N 3.3Å; P739-G741 PolarHBondContact O-N 3.19Å
740L46.3Very low41.9Very low181 Ų181132.1 Ų132.195%0.94875%0.748SS**SBendtrans-75.677.5-176.9-70.8171.4000112.8
741G45.5Very low41Very low58 Ų58136.7 Ų136.760%0.59877%0.768SS**SBendtrans-157.8139.5163.600000108.1P739P739-G741 VanDerWaalsContact C-N 3.3Å; P739-G741 PolarHBondContact O-N 3.19Å
742E41.9Very low40.3Very low205 Ų205137.9 Ų137.996%0.95878%0.775SS**SBendtrans64.365.3178.8-57.1176-16900116.2
743S33.8Very low39.6Very low114 Ų114135.9 Ų135.980%0.79776%0.764SS**  trans-161.6103.4146-171.10000113
744M36.3Very low38.7Very low183 Ų183136.4 Ų136.490%0.90176%0.764SS**SBendtrans-178.368.5142.6-103.7-152.5-62.500111.1
745Y32.3Very low38Very low221 Ų221135.2 Ų135.287%0.86778%0.776SS**SBendtrans-162.5135.6145.9-136.2-102.2000111.1
746S31.8Very low36.8Very low101 Ų101135.5 Ų135.571%0.70679%0.793SS**  trans67.6137.7176-38.80000114.9
747S31.4Very low35.9Very low118 Ų118133.6 Ų133.683%0.82579%0.79SS**  cis-152.6148.215.3-60.60000112.4
748A27.1Very low35.2Very low101 Ų101134.9 Ų134.984%0.83580%0.799SS**  trans-156.7132.914700000109.5
749M29.4Very low34.3Very low179 Ų179130 Ų13088%0.88280%0.8SS**  trans-130.1130.1172.9-89.8-75.8-16700109.2
750S32.3Very low33.5Very low95 Ų95130.4 Ų130.466%0.66480%0.8SS**  trans54.1118.9145.4-54.10000122.6
751Q30.9Very low32.7Very low182 Ų182126.8 Ų126.885%0.8580%0.796SS**  trans71.3160141.6-67.1179.2-18.300117.5
752P51.3Low32.1Very low115 Ų115128.3 Ų128.375%0.74780%0.804SS**  cis-84.6-154.34.440-39000113.2
753D28.5Very low31.5Very low137 Ų137124.5 Ų124.573%0.73380%0.8SS**  cis-152.5-149.59.8-146.2-62.1000113.7
754T28.5Very low31.3Very low125 Ų125124 Ų12477%0.76780%0.796SS**  trans-132157.1-158.156.10000116.5
755A28.2Very low30.9Very low94 Ų94121.5 Ų121.578%0.77779%0.791SS**  trans112.2116139.600000121.3
756A29.7Very low30.8Very low106 Ų106117.8 Ų117.888%0.87679%0.786SS**  trans67149.4149.100000119.9
757A28.8Very low31.6Very low85 Ų85117.8 Ų117.870%0.70278%0.784SS**  cis-158.2160.7-400000113.6
758S30.5Very low31.4Very low118 Ų118118.5 Ų118.583%0.82578%0.778SS**  trans58135.8152.257.60000121.9
759A31.1Very low31.9Very low91 Ų91120.9 Ų120.975%0.75277%0.772SS**  cis-144.4-114.4-16.400000111.2
760T28.6Very low31.8Very low130 Ų130120.9 Ų120.980%0.79877%0.77SS**  cis-1641491.9-39.20000110.9
761A29.2Very low31.9Very low104 Ų104123.3 Ų123.386%0.8677%0.771SS**  trans67.6161.6165.800000119.4
762A31.8Very low31.9Very low91 Ų91120.6 Ų120.675%0.75276%0.758SS**  trans-161170.1-166.100000115
763S31.1Very low31Very low125 Ų125122.3 Ų122.387%0.87475%0.754SS**  trans67.2152.1171.274.40000116.6
764S29.4Very low30.8Very low102 Ų102122.8 Ų122.871%0.71376%0.757SS**  cis-143.3-175.6-8.256.80000107.8
765T27.1Very low31Very low131 Ų131125.1 Ų125.180%0.80476%0.759SS**  cis-163.8160.825.2-27.90000109.4
766D30.4Very low32Very low143 Ų143125 Ų12577%0.76575%0.75SS**  trans-90.5167.4170.9-136.6-32.4000111.4
767P47.8Very low31.7Very low102 Ų102125.2 Ų125.266%0.66274%0.744SS**  -156.6156.788.141.1-21.4000120
768D28.6Very low31.6Very low132 Ų132127.3 Ų127.371%0.70674%0.743SS**  trans64152.9139.2-67.6-25.8000123.5
769Q36.5Very low31.3Very low152 Ų152130.5 Ų130.571%0.7174%0.743SS**  cis-172.2157.2-40.2-128.2-173.797.300111.3
770E28.6Very low31.2Very low178 Ų178132.6 Ų132.683%0.83274%0.737SS**  trans157.1103.1150.7-91.4175.8-164.200108.1
771Q32.9Very low31.8Very low147 Ų147131.6 Ų131.669%0.68773%0.732SS**  66.6137.486.8-70.9-159.8-71.200115
772E31.8Very low31.5Very low124 Ų124131 Ų13158%0.57972%0.721SS**  cis-160.5150.31-129.4-171.5-177.300113.4
773K31.2Very low31.3Very low151 Ų151136.6 Ų136.666%0.65772%0.723SS**  trans56.4160.4144.8-79.9169.8-170149.90121.7
774D25.9Very low31Very low148 Ų148137.9 Ų137.979%0.79172%0.715SS**  cis-144.2174.412-114-33.9000113.4
775E32.2Very low31.1Very low174 Ų174137.1 Ų137.181%0.81372%0.715SS**  trans-105.8-173.5-177.9-100.6-124.1110.600112.8
776P48.3Very low31.4Very low91 Ų91137 Ų13759%0.59172%0.717SS**  cis-137.4-173.7-24.633.6-13.7000115.3
777C23.1Very low31.1Very low111 Ų111137.3 Ų137.375%0.7572%0.717SS**  trans75.6147.2143.2-92.50000120.5
778N26.8Very low30.2Very low129 Ų129140.1 Ų140.169%0.6972%0.724SS**  cis-160.5172.6-0.2-151.5-12.1000113.7
779F24.4Very low30Very low185 Ų185141.7 Ų141.781%0.81173%0.727SS**  trans89.8117.9158.9-90.8-79.1000122.9
780E29.6Very low29.7Very low134 Ų134139.7 Ų139.763%0.62673%0.729SS**  trans-86.7-174167.2-117.9-118117.400110.4C782E780-C782 PolarHBondContact OE1-N 3.47Å; E780-C782 PolarHBondContact OE1-SG 3.43Å; E780-C782 PolarHBondContact OE2-SG 2.93Å; E780-C782 VanDerWaalsContact OE2-SG 3.42Å
781P41.4Very low29.7Very low109 Ų109136.8 Ų136.871%0.70873%0.728SS**  cis-142.3153.418.240.1-19.3000121.6
782C22.9Very low29.4Very low92 Ų92135.7 Ų135.762%0.62273%0.732SS**  trans50.2159.1135.1-74.90000125.9E780E780-C782 PolarHBondContact OE1-N 3.47Å; E780-C782 PolarHBondContact OE1-SG 3.43Å; E780-C782 PolarHBondContact OE2-SG 2.93Å; E780-C782 VanDerWaalsContact OE2-SG 3.42Å
783R26.9Very low29.5Very low209 Ų209136.9 Ų136.979%0.78974%0.742SS**  trans92.6136.6154.4-63.9-156.1130.3117.117.2120.1
784E25.5Very low29.5Very low152 Ų152138.1 Ų138.171%0.7175%0.75SS**  cis-160.6-179.4-24.5-137159.2-152.400110.6
785A30.9Very low29.6Very low86 Ų86137.7 Ų137.771%0.71175%0.745SS**  trans-65.7177.3-166.100000117.5
786P33.4Very low29.5Very low129 Ų129137.1 Ų137.184%0.83875%0.747SS**  -138.2163.9109.639.7-30.5000115.6
787L24.9Very low29Very low149 Ų149139 Ų13978%0.7876%0.761SS**  trans-141132.1169.8-89.6173.2000110.6
788M28.3Very low29.1Very low161 Ų161138.6 Ų138.679%0.79377%0.765SS**  trans60.3167.2156.2-53.9-53.5-165.500117.3
789E25.4Very low29.4Very low165 Ų165137.4 Ų137.477%0.77177%0.767SS**  cis-154.8159.86-149.3164.2-127.300113.6
790S28.3Very low29.7Very low109 Ų109136.6 Ų136.676%0.76277%0.766SS**  trans76.7152145.782.40000123.3
791S28.6Very low29.7Very low117 Ų117134.9 Ų134.982%0.81877%0.765SS**  trans123.5160.6140.7-150.60000117.4
792V28.3Very low29.1Very low125 Ų125136.6 Ų136.676%0.75877%0.767SS**  trans-127153.2-146.2-174.80000114.1
793N32.8Very low29.3Very low148 Ų148138.8 Ų138.879%0.79177%0.773SS**  trans-23.9131.4174.4-59.1-55.2000118.6
794Q32.7Very low29.4Very low178 Ų178132.4 Ų132.483%0.83277%0.765SS**  trans-176.7166.2146.4-97179.161.900107.6
795M26.3Very low29.6Very low138 Ų138132 Ų13268%0.6877%0.772SS**  cis-171.2124-33.8-178.4-163-46.600108.6
796L29.8Very low29.4Very low163 Ų163133.5 Ų133.585%0.85377%0.772SS**  trans57.5163.8158.5-66.2172.8000121.3
797C39.1Very low29.2Very low130 Ų130135 Ų13588%0.87877%0.773SS**  trans-85.6164.1-169.5-46.50000114.4
798A25.1Very low29.4Very low102 Ų102134.1 Ų134.184%0.84377%0.774SS**  trans-133.4137.5159.800000111.4
799S33.4Very low30.3Very low105 Ų105131.9 Ų131.973%0.73477%0.771SS**  trans-83.9177.5-179-37.40000112.5
800Q30.1Very low30.3Very low167 Ų167133.4 Ų133.478%0.7878%0.778SS**  cis-144.1-123.50.1-144.8150.6-94.300109.3
801T28.9Very low30.7Very low99 Ų99134 Ų13461%0.60778%0.777SS**  cis-164.3135.4-2.4-15.70000109.1
802L28.8Very low30.6Very low144 Ų144135 Ų13575%0.75478%0.778SS**  trans64.3148.9159.4-49.2175.3000117.7
803D26.9Very low31.1Very low139 Ų139134.2 Ų134.274%0.74378%0.776SS**  cis-169.3168.2-9.4-105.8-2.4000108
804A30.5Very low31.5Very low75 Ų75132.5 Ų132.562%0.6277%0.773SS**  cis-172.9-172.6-19.600000109.5
805V28.3Very low31.7Very low143 Ų143130.2 Ų130.287%0.86777%0.773SS**  trans77.1158.3168.4-169.10000115.2
806T27.8Very low31.9Very low117 Ų117130.2 Ų130.272%0.71878%0.78SS**  trans-149.9149.9-140.4-38.40000112.1
807L29Very low32.2Very low161 Ų161128 Ų12884%0.84377%0.774SS**  trans152.4168.5135.2-79.7172.2000112.5
808T28.3Very low31.9Very low131 Ų131127.7 Ų127.780%0.80477%0.77SS**  trans-126.1-155-159.559.60000112.1
809P48.8Very low32Very low114 Ų114131 Ų13174%0.7477%0.767SS**  -123.7162-12435.7-15.1000116.7
810E25.1Very low32.6Very low197 Ų197130.8 Ų130.892%0.92176%0.764SS**  trans-153.6-175.9162.7-130.7-177.511500115.3
811V35Very low32.4Very low121 Ų121129.3 Ų129.373%0.73376%0.76SS**  trans-117144.9-151.2177.30000113.9
812V28.2Very low32.3Very low137 Ų137132.2 Ų132.283%0.8377%0.767SS**  trans-143.9143.1159.61770000110.8
813P37.7Very low33Very low110 Ų110131 Ų13171%0.71477%0.768SS**  trans-104.2-169.7-172.744.9-38.9000113.8
814P42.6Very low32.8Very low112 Ų112130.7 Ų130.773%0.72777%0.771SS**  trans-96.7168.2-160.739.2-36.7000116.4
815P36.7Very low33.3Very low130 Ų130132.1 Ų132.184%0.84477%0.774SS**  trans-89162.517136.2-34.7000114.1
816V30.8Very low33.2Very low137 Ų137131.4 Ų131.483%0.8377%0.77SS**  trans-123.6160.3-171.8173.50000112.3
817V34.3Very low33.2Very low118 Ų118133.5 Ų133.572%0.71577%0.771SS**  trans-65.9153.8-179.1-176.10000113.6
818P33.2Very low33.1Very low122 Ų122131 Ų13179%0.79276%0.763SS**  trans-132.8154.4138.636.3-25.2000115.8
819Q28.2Very low33.9Very low171 Ų171129.2 Ų129.280%0.79975%0.753SS**  trans-125.9-170.7165.4-66-172.5-5.800107.4
820P45.8Very low33Very low101 Ų101131.7 Ų131.766%0.65676%0.755SS**  -131.1-170.2-6034.2-15.7000114.2
821L25.6Very low33.2Very low136 Ų136128 Ų12871%0.71274%0.741SS**  trans100.2139.5148-69.9167.8000124.4
822H27.2Very low32.8Very low161 Ų161131.9 Ų131.975%0.74574%0.743SS**  trans71.4155.1151.9-65.9-43.7000121.7
823P42.2Very low32.7Very low119 Ų119133.6 Ų133.677%0.77374%0.742SS**  cis-135.8-161.7-23.336.8-15.7000115.5
824T23Very low33Very low131 Ų131133.4 Ų133.480%0.80474%0.741SS**  trans-77.1-175.5-178.939.70000114.5
825P41.7Very low32.2Very low105 Ų105134.8 Ų134.868%0.68275%0.747SS**  cis-152.5-174.624.143.4-19.7000121.6
826T26.2Very low31.9Very low128 Ų128134.2 Ų134.279%0.78575%0.745SS**  trans70.6152.2157.730.60000119.7
827H27.3Very low32.4Very low162 Ų162133.1 Ų133.175%0.7574%0.74SS**  cis-144.7168.46.5-165.4-94.2000113
828V26.7Very low32Very low109 Ų109135.4 Ų135.466%0.66175%0.748SS**  trans-84.7177.2179.3-670000112.8
829P46.4Very low31.8Very low92 Ų92138 Ų13860%0.59775%0.75SS**  cis-157.1-177.824.948-26.4000122.3
830H30Very low32.8Very low167 Ų167135.1 Ų135.177%0.77375%0.746SS**  trans69.9151.7148.9-63-32.6000121.1
831L28.5Very low31.9Very low120 Ų120134.2 Ų134.263%0.62875%0.747SS**  cis-167.6170.4-19.4-113.5169.7000112.2
832Y26.7Very low32Very low201 Ų201135.9 Ų135.979%0.78875%0.751SS**  trans74.1101159.8-68.1-63.9000124.4
833H26.9Very low32.1Very low174 Ų174136.5 Ų136.581%0.80675%0.754SS**  -3.7171.5116.6-81.5-46000121.8
834P43.6Very low31.3Very low106 Ų106135.1 Ų135.169%0.68875%0.753SS**  cis-149.2179.5-25.940.6-21.1000118.1
835V25.1Very low31.5Very low141 Ų141135.5 Ų135.586%0.85576%0.755SS**  trans76149.4142.51570000122.4
836C31.7Very low32Very low118 Ų118136 Ų13680%0.79776%0.758SS**  trans-96.7175.2-178-45.50000114.1
837P40.7Very low32.2Very low113 Ų113135.3 Ų135.373%0.73475%0.749SS**  trans-148.9141.9135.837.3-20.6000118.3
838D26.1Very low32.2Very low166 Ų166138.7 Ų138.789%0.88876%0.755SS**  trans58.5169.5131-62.4-39.9000127.3
839Q28Very low32.4Very low178 Ų178142.9 Ų142.983%0.83276%0.759SS**  trans-93.1-169.7-168.7-100.3-175.713.200114.1
840P48.7Very low31.6Very low109 Ų109144 Ų14471%0.70876%0.764SS**  cis-138.1-168-2229.9-6.1000115.4
841A28Very low31.7Very low82 Ų82142.9 Ų142.968%0.67876%0.762SS**  trans106.7113.1134.300000124.6
842Q28.3Very low31.7Very low171 Ų171146.8 Ų146.880%0.79977%0.769SS**  75.9145.2128.6-64.4-177.4-1.200126.8
843H27.6Very low31.8Very low174 Ų174143.7 Ų143.781%0.80676%0.761SS**  trans101.4135.8140.2-90-64000125.9
844A25.6Very low31.9Very low91 Ų91145.7 Ų145.775%0.75276%0.762SS**  trans98.3138.8148.300000123.2
845V28.4Very low31.1Very low139 Ų139144.9 Ų144.984%0.84276%0.764SS**  trans-165.6-174.2-175.4-71.30000108.9
846P51.4Low31.2Very low115 Ų115147.2 Ų147.275%0.74776%0.763SS**  cis-118.6-122.2-11.120.18.2000112.4
847L31.4Very low30.8Very low113 Ų113151.5 Ų151.559%0.59276%0.762SS**  cis-171.3132.74.4177.163.5000114.4
848R25.9Very low30Very low234 Ų234151.8 Ų151.888%0.88377%0.765SS**  trans176.1127.1147-95.1155.5-161.7-116.45.7109.5
849R32.1Very low30.1Very low197 Ų197148 Ų14874%0.74375%0.752SS**  cis84.3139.648.8-73.3-165.3168.8132.6-1.7113.5
850T28.9Very low30.1Very low115 Ų115148.9 Ų148.971%0.70676%0.756SS**  cis-176.7166.60.4220000108.7
851I32.4Very low29Very low144 Ų144147.1 Ų147.174%0.73876%0.758SS**  cis-176.3168.8-15.9-163.8170.1000111.1
852R28.1Very low28.9Very low202 Ų202148 Ų14876%0.76277%0.765SS**  trans83.2113.5156.5-87.2-168.2167130.93.7124.7
853E29.1Very low28.8Very low135 Ų135148.7 Ų148.763%0.63177%0.766SS**  63.6125.3101.3-140.4-162.9142.400124.3
854R28.8Very low28.8Very low216 Ų216148.9 Ų148.982%0.81577%0.767SS**  124.291.8120.8-154.2167.8-171.5168.31.1123.5
855A26.8Very low28.8Very low89 Ų89154 Ų15474%0.73678%0.775SS**  49.9150.3127.100000126.6
856K26.6Very low28.7Very low191 Ų191152.5 Ų152.583%0.8377%0.771SS**  trans124159.6156-72.7172.9-176.41770114.2
857R24.6Very low27.4Very low207 Ų207157 Ų15778%0.78178%0.779SS**  cis179.2131-34-175.8-167.9-67.3-157.8-2.1111.1
858C23.6Very low27Very low119 Ų119157.8 Ų157.880%0.80479%0.788SS**  trans63.1166.6158.6-78.40000119.2
859S27.5Very low26.9Very low87 Ų87152.2 Ų152.261%0.60879%0.785SS**  cis-176163.8-19.953.80000112.7
860Q28.5Very low26.5Very low196 Ų196153.3 Ų153.392%0.91679%0.791SS**  trans70.5153.4164.1-59.3171.60.300117.8
861G24.6Very low26.3Very low73 Ų73152.4 Ų152.475%0.75380%0.795SS**  cis163.9155.4-15.300000117.4
862A27Very low25.9Very low99 Ų99151.5 Ų151.582%0.81880%0.796SS**  trans80.4156.6152.200000123.9
863K25.3Very low25.7Very low187 Ų187149.4 Ų149.481%0.81380%0.798SS**  trans77.2117.4172.5-60.5-179.7-178.7178.80116.5
864Q27.8Very low25.5Very low178 Ų178148.1 Ų148.183%0.83281%0.805SS**  81.6109.756.4-79.8-172.5-33.600114.7
865Q26.2Very low25.5Very low197 Ų197144.5 Ų144.592%0.92181%0.806SS**  -173.6165.3113.8-102.4178.47.200112.1
866S25.8Very low25.5Very low109 Ų109148.7 Ų148.776%0.76282%0.815SS**  trans-109.7158.7-175.951.90000112.7
867K23.9Very low25.5Very low209 Ų209142.6 Ų142.691%0.90981%0.806SS**  trans-163.2146.9150.9-111.6162.7-172.1178.30111.5
868T23.9Very low25.9Very low129 Ų129142.3 Ų142.379%0.79181%0.814SS**  trans-124.9144.4-179.2-42.30000108.8
869S23.2Very low26.2Very low117 Ų117140.6 Ų140.682%0.81882%0.817SS**  trans-151.7134.1169.653.20000111.3
870Y24Very low26.5Very low221 Ų221140 Ų14087%0.86782%0.824SS**  trans-94.6148.4176.3-75.2-111.5000111.2
871A25Very low27.2Very low95 Ų95138.8 Ų138.879%0.78582%0.822SS**  trans179.796138.400000114.1
872T23.6Very low28.2Very low126 Ų126141.4 Ų141.477%0.77382%0.823SS**  27.4152.2126.4-20.90000123.8
873I24.5Very low28.7Very low157 Ų157143.5 Ų143.581%0.80582%0.816SS**  trans83.8136.3160.8-53.8-175.3000114.8
874S24.9Very low29.5Very low109 Ų109137.6 Ų137.676%0.76281%0.808SS**  cis-143.71723.736.10000112.4
875V28.7Very low30.2Very low140 Ų140136.4 Ų136.485%0.84881%0.807SS**  trans-119.4138.7174.2171.80000111.2
876L25.5Very low31.2Very low177 Ų177131.9 Ų131.993%0.92779%0.792SS**  trans-156.6137.8159.6-158.175.8000108.4
877G27.5Very low32.3Very low62 Ų62133.7 Ų133.764%0.63979%0.787SS**  cis153.570.3-6.600000113.1
878Q32.5Very low33.7Very low201 Ų201125.5 Ų125.594%0.93976%0.761SS**  trans-141.8129.8175.2-82-177.1-27.400112.5
879G31Very low35Very low84 Ų84122.5 Ų122.587%0.86675%0.749SS**  trans-103.6-173.6159.400000110.5
880G33Very low36.1Very low73 Ų73122.2 Ų122.275%0.75374%0.738SS**  cis-174.5140.6-3.200000108.8
881I43.8Very low37.4Very low172 Ų172115.3 Ų115.388%0.88272%0.722SS**  trans-134.2107.8-160.836.8169000112.8
882T44.3Very low39.3Very low127 Ų127115.7 Ų115.778%0.77972%0.715SS**  trans-138.9-24.5178.950.20000115.9G884T882-G884 PolarHBondContact O-N 2.87Å
883E37.5Very low40.5Very low144 Ų144112.8 Ų112.867%0.67370%0.703SS**SBendtrans-74.3-26.3-173.2-148.7-155.2131.300114.5K887E883-K887 IonicContact OE1-NZ 3.28Å; E883-K887 PolarHBondContact OE1-NZ 3.38Å
884G43.6Very low41.7Very low62 Ų62108.6 Ų108.664%0.63969%0.692SS**Hα-helixtrans-73.3-31-173.100000115.2T882 V886T882-G884 PolarHBondContact O-N 2.87Å; G884-V886 PolarHBondContact O-N 3.42Å
885L42.7Very low42.9Very low153 Ų153107 Ų10780%0.80168%0.681SS**Hα-helixtrans-69.4-40-165.7-140.176.2000113K887 G888 A889L885-K887 PolarHBondContact O-N 3Å; L885-G888 PolarHBondContact O-N 3.27Å; L885-A889 PolarHBondContact O-N 2.66Å
886V46.9Very low43.9Very low102 Ų102103 Ų10362%0.61866%0.662SS**Hα-helixtrans-70.4-35.3-173.1-174.20000112.1G884 G888G884-V886 PolarHBondContact O-N 3.42Å; V886-G888 VanDerWaalsContact C-N 3.33Å
887K47.7Very low44.9Very low148 Ų148102.7 Ų102.764%0.64365%0.65SS**Hα-helixtrans-67.5-32.2175.3-77.9167.5178.8156.40112.2E883 L885E883-K887 IonicContact OE1-NZ 3.28Å; E883-K887 PolarHBondContact OE1-NZ 3.38Å; L885-K887 PolarHBondContact O-N 3Å
888G54.6Low45.8Very low37 Ų37107.8 Ų107.838%0.38166%0.655SS.*Hα-helixtrans-64.3-47.8175.700000112.9L885 V886 L890 S891 V892L885-G888 PolarHBondContact O-N 3.27Å; V886-G888 VanDerWaalsContact C-N 3.33Å; G888-L890 PolarHBondContact O-N 2.98Å; G888-S891 WeakPolarHBondContact O-CB 3.41Å; G888-S891 PolarHBondContact O-N 2.94Å; G888-V892 PolarHBondContact O-N 3.48Å
889A49.8Very low46.5Very low65 Ų65101.5 Ų101.554%0.53764%0.637SS.*Hα-helixtrans-59.9-43.4-17500000113.8L885 S891 V892 A893L885-A889 PolarHBondContact O-N 2.66Å; A889-S891 VanDerWaalsContact C-N 3.35Å; A889-S891 PolarHBondContact O-N 2.68Å; A889-V892 PolarHBondContact O-N 3.12Å; A889-A893 PolarHBondContact O-N 3.1Å
890L46.6Very low46.9Very low112 Ų112104.1 Ų104.159%0.58663%0.63SS**Hα-helixtrans-66.2-35.3177.7-8795.5000112.9G888 A893 A894G888-L890 PolarHBondContact O-N 2.98Å; L890-A893 PolarHBondContact O-N 2.91Å; L890-A894 PolarHBondContact O-N 2.62Å; L890-A894 VanDerWaalsContact O-N 3.15Å
891S52.6Low47Very low76 Ų76108.5 Ų108.553%0.53163%0.629SS.*Hα-helixtrans-64-42.3178.1-169.70000111.8G888 A889 A894 S895G888-S891 WeakPolarHBondContact O-CB 3.41Å; G888-S891 PolarHBondContact O-N 2.94Å; A889-S891 VanDerWaalsContact C-N 3.35Å; A889-S891 PolarHBondContact O-N 2.68Å; S891-A894 PolarHBondContact O-N 3.2Å; S891-S895 PolarHBondContact O-N 2.99Å; S891-S895 VanDerWaalsContact O-N 3.11Å; S891-S895 PolarHBondContact O-OG 2.85Å; S891-S895 VanDerWaalsContact O-OG 3.13Å
892V63.4Low46.9Very low103 Ų103105.5 Ų105.562%0.62462%0.619SS**Hα-helixtrans-64.5-42.4177.8176.70000111.5G888 A889 A894 S895 A896G888-V892 PolarHBondContact O-N 3.48Å; A889-V892 PolarHBondContact O-N 3.12Å; V892-A894 PolarHBondContact O-N 3.41Å; V892-S895 PolarHBondContact O-N 2.96Å; V892-A896 PolarHBondContact O-N 3.28Å
893A49.4Very low46.3Very low64 Ų64102.6 Ų102.653%0.52961%0.614SS.*Hα-helixtrans-62-42.3177.900000112.7A889 L890 A896 Y897A889-A893 PolarHBondContact O-N 3.1Å; L890-A893 PolarHBondContact O-N 2.91Å; A893-A896 PolarHBondContact O-N 3.32Å; A893-Y897 PolarHBondContact O-N 3.41Å
894A49Very low46.2Very low69 Ų69101.7 Ų101.757%0.5762%0.62SS**Hα-helixtrans-65.2-39.1176.200000112.5L890 S891 V892L890-A894 PolarHBondContact O-N 2.62Å; L890-A894 VanDerWaalsContact O-N 3.15Å; S891-A894 PolarHBondContact O-N 3.2Å; V892-A894 PolarHBondContact O-N 3.41Å
895S51.9Low45.7Very low76 Ų76106.7 Ų106.753%0.53163%0.633SS.*Hα-helixtrans-65.6-44.1175.9-64.60000112.5S891 V892 Y897 K898 A899S891-S895 PolarHBondContact O-N 2.99Å; S891-S895 VanDerWaalsContact O-N 3.11Å; S891-S895 PolarHBondContact O-OG 2.85Å; S891-S895 VanDerWaalsContact O-OG 3.13Å; V892-S895 PolarHBondContact O-N 2.96Å; S895-Y897 VanDerWaalsContact C-N 3.33Å; S895-Y897 PolarHBondContact O-N 2.83Å; S895-K898 PolarHBondContact O-N 3.32Å; S895-A899 PolarHBondContact O-N 3.46Å
896A49Very low45.1Very low55 Ų55105.1 Ų105.146%0.45563%0.633SS.*Hα-helixtrans-61.9-38.8179.200000112.6V892 A893 K898 A899V892-A896 PolarHBondContact O-N 3.28Å; A893-A896 PolarHBondContact O-N 3.32Å; A896-K898 VanDerWaalsContact C-N 3.26Å; A896-K898 PolarHBondContact O-N 3.41Å; A896-A899 PolarHBondContact O-N 2.7Å
897Y46.3Very low44.3Very low171 Ų171105.9 Ų105.967%0.67164%0.643SS**Hα-helixtrans-63.7-31.7178.1-158.1-87.6000112.7A893 S895 F901A893-Y897 PolarHBondContact O-N 3.41Å; S895-Y897 VanDerWaalsContact C-N 3.33Å; S895-Y897 PolarHBondContact O-N 2.83Å; Y897-F901 HydrophobicContact CE1-CE2 4.36Å
898K46.3Very low43.5Very low170 Ų170104.9 Ų104.974%0.73964%0.643SS**Hα-helixtrans-78-29.8-179.5-159.9176.8-176.2-176.50113.2S895 A896S895-K898 PolarHBondContact O-N 3.32Å; A896-K898 VanDerWaalsContact C-N 3.26Å; A896-K898 PolarHBondContact O-N 3.41Å
899A47.3Very low42.3Very low69 Ų69112.3 Ų112.357%0.5767%0.668SS**Hα-helixtrans-74.6-22.1-179.200000114S895 A896 F901S895-A899 PolarHBondContact O-N 3.46Å; A896-A899 PolarHBondContact O-N 2.7Å; A899-F901 VanDerWaalsContact C-N 3.31Å; A899-F901 PolarHBondContact O-N 3.02Å
900L38.7Very low41.5Very low138 Ų138112.8 Ų112.872%0.72368%0.679SS**THydrogen-bonded Turntrans-80.5-3.5-174.1-73.8167.8000115.1
901F35.7Very low40.7Very low166 Ų166111.9 Ų111.973%0.72867%0.674SS**THydrogen-bonded Turntrans-126.19-174.2-71.7-78.8000114.8Y897 A899Y897-F901 HydrophobicContact CE1-CE2 4.36Å; A899-F901 VanDerWaalsContact C-N 3.31Å; A899-F901 PolarHBondContact O-N 3.02Å
902T41.6Very low39.7Very low109 Ų109116 Ų11667%0.66969%0.689SS**SBendtrans-112118.2174.951.40000110.4
903G32.7Very low38.2Very low65 Ų65118 Ų11867%0.6770%0.702SS**PPolyproline II helixtrans-68.6161-17900000114.2
904P35.1Very low37.3Very low125 Ų125121 Ų12181%0.81271%0.709SS**PPolyproline II helixtrans-84.2131.9-174.632.8-34.1000113.1
905N32Very low36.6Very low168 Ų168120.3 Ų120.390%0.89869%0.694SS**PPolyproline II helixtrans-92.3133.3163.5-71.5-24.7000109.6
906C30.6Very low36Very low119 Ų119122.1 Ų122.180%0.80471%0.707SS**PPolyproline II helixtrans-87.7149.5179.5-70.10000112.5
907S30.3Very low35.6Very low118 Ų118128.1 Ų128.183%0.82573%0.726SS**PPolyproline II helixtrans-84.7147.6178.3-1750000112.2
908I31.5Very low35.4Very low127 Ų127126.1 Ų126.165%0.65173%0.726SS**  trans-121.7115.3-179.5-59174.7000109.5I911I908-I911 HydrophobicContact CG2-CB 4.38Å; I908-I911 HydrophobicContact CG2-CD1 3.92Å; I908-I911 HydrophobicContact CG2-CG1 4.03Å
909Q29.5Very low35.6Very low194 Ų194122.2 Ų122.291%0.90771%0.711SS**  trans-148.615.7165.8-145.1154.331.300114.9
910G31.2Very low36Very low75 Ų75120.9 Ų120.977%0.77369%0.694SS**SBendtrans-103.75.1176.200000115.1
911I30.8Very low36.9Very low93 Ų93118.5 Ų118.548%0.47769%0.686SS.*  trans-127.487.2-167-34.9177.7000109.8I908 I915I908-I911 HydrophobicContact CG2-CB 4.38Å; I908-I911 HydrophobicContact CG2-CD1 3.92Å; I908-I911 HydrophobicContact CG2-CG1 4.03Å; I911-I915 HydrophobicContact CB-CD1 4.35Å; I911-I915 HydrophobicContact CG2-CD1 3.9Å; I911-I915 HydrophobicContact CG2-CG1 3.66Å; I911-I915 VanDerWaalsContact O-CD1 3.23Å; I911-I915 WeakPolarHBondContact O-CD1 3.41Å
912L32.4Very low38.8Very low163 Ų163114.3 Ų114.385%0.85368%0.678SS**SBendtrans-141.9-3.8172.7-142.390.8000115.1
913T31.5Very low40.7Very low144 Ų144110.7 Ų110.788%0.88365%0.654SS**SBendtrans-119.29.5179.837.10000113.6
914L29.8Very low43.2Very low128 Ų128108.9 Ų108.967%0.6763%0.628SS**SBendtrans-133.39.2-179.7-108.9167.7000113.6
915I35.3Very low45.5Very low53 Ų53105.5 Ų105.527%0.27261%0.611SS.*  trans-82.1-28.4-171.5-69.8-167.9000113.4I911 E917 L918 Q919I911-I915 HydrophobicContact CB-CD1 4.35Å; I911-I915 HydrophobicContact CG2-CD1 3.9Å; I911-I915 HydrophobicContact CG2-CG1 3.66Å; I911-I915 VanDerWaalsContact O-CD1 3.23Å; I911-I915 WeakPolarHBondContact O-CD1 3.41Å; I915-E917 PolarHBondContact O-N 3.04Å; I915-L918 PolarHBondContact O-N 2.64Å; I915-Q919 HydrophobicContact CG2-CG 3.72Å; I915-Q919 PolarHBondContact O-N 3.42Å
916S39.3Very low48.1Very low115 Ų11599.9 Ų99.980%0.80458%0.582SS**THydrogen-bonded Turntrans-62.5-16.8-169.4-56.70000115.8
917E39.2Very low50.9Low180 Ų18094.2 Ų94.284%0.84154%0.544SS*.THydrogen-bonded Turntrans-106.7-5.2176.8-61.8-172.3151.900113.5I915I915-E917 PolarHBondContact O-N 3.04Å
918L43.2Very low53.5Low129 Ų12991.3 Ų91.368%0.67552%0.519SS*.THydrogen-bonded Turntrans-114.6-4.4-172.2-94.3162.4000114.9I915I915-L918 PolarHBondContact O-N 2.64Å
919Q50.5Low56.2Low89 Ų8993.1 Ų93.142%0.41653%0.525SS..SBendtrans-84.8-19.2178.7-98176.3-15.400115I915 S922 M923I915-Q919 HydrophobicContact CG2-CG 3.72Å; I915-Q919 PolarHBondContact O-N 3.42Å; Q919-S922 PolarHBondContact O-N 2.93Å; Q919-M923 HydrophobicContact CB-CE 3.97Å; Q919-M923 HydrophobicContact CG-CE 4.18Å
920D53.9Low58.7Low41 Ų4188.1 Ų88.122%0.21950%0.503CS..Hα-helixtrans-56.8-45.2-177-152.146.9000113.3M924 Q939 Y947D920-M924 WeakPolarHBondContact O-CB 3.42Å; D920-M924 PolarHBondContact O-N 3.24Å; D920-Q939 PolarHBondContact OD2-NE2 3.25Å; D920-Y947 HydrophobicContact CB-CE1 4.32Å; D920-Y947 WeakPolarHBondContact OD1-CE1 3.48Å; D920-Y947 VanDerWaalsContact OD1-CZ 3.3Å; D920-Y947 PolarHBondContact OD1-OH 3.39Å
921P58Low61.2Low87 Ų8786.6 Ų86.657%0.56549%0.487SS*.Hα-helixtrans-71-36.2-178.6-17.732.5000113.5A925P921-A925 PolarHBondContact O-N 2.69Å; P921-A925 VanDerWaalsContact O-N 3.14Å
922S76.6Confident64Low79 Ų7984.3 Ų84.355%0.55247%0.474SS*.Hα-helixtrans-71.1-37.7-171.1-173.40000112.9Q919 V926Q919-S922 PolarHBondContact O-N 2.93Å; S922-V926 WeakPolarHBondContact O-CG2 2.99Å
923M80.9Confident66.3Low33 Ų3385 Ų8516%0.16347%0.47CS..Hα-helixtrans-87.6-24.4179.1-74.6-179.9-71.500112.7Q919 A925 V926 L927 L942 Y947 L949Q919-M923 HydrophobicContact CB-CE 3.97Å; Q919-M923 HydrophobicContact CG-CE 4.18Å; M923-A925 VanDerWaalsContact C-N 3.31Å; M923-V926 PolarHBondContact O-N 2.61Å; M923-L927 WeakPolarHBondContact O-CG 3.27Å; M923-L927 PolarHBondContact O-N 3.41Å; M923-L942 HydrophobicContact CB-CD1 4.15Å; M923-L942 HydrophobicContact CB-CD2 4.09Å; M923-Y947 HydrophobicContact CE-CD1 4.06Å; M923-Y947 HydrophobicContact CE-CG 4.37Å; M923-Y947 WeakPolarHBondContact CE-O 3.44Å; M923-Y947 VanDerWaalsContact SD-O 3.38Å; M923-L949 HydrophobicContact CB-CD1 4.48Å; M923-L949 HydrophobicContact SD-CB 4.4Å
924M85.4Confident69.1Low26 Ų2682.2 Ų82.213%0.12845%0.449CS..Hα-helixtrans-58.3-44.9165.6-175.756.96200111.4D920 V926 L927 L928 Q935 N938 Q939 L942D920-M924 WeakPolarHBondContact O-CB 3.42Å; D920-M924 PolarHBondContact O-N 3.24Å; M924-V926 VanDerWaalsContact C-N 3.35Å; M924-V926 PolarHBondContact O-N 3.37Å; M924-L927 PolarHBondContact O-N 3.08Å; M924-L928 HydrophobicContact CG-CD1 4.02Å; M924-L928 VanDerWaalsContact O-CG 3.31Å; M924-L928 WeakPolarHBondContact O-CG 3.33Å; M924-L928 PolarHBondContact O-N 3.31Å; M924-L928 HydrophobicContact SD-CD1 4.39Å; M924-L928 HydrophobicContact SD-CG 4.49Å; M924-Q935 VanDerWaalsContact CE-O 3.3Å; M924-Q935 WeakPolarHBondContact CE-O 3.2Å; M924-Q935 HydrophobicContact SD-CB 4.07Å; M924-Q935 HydrophobicContact SD-CG 4.06Å; M924-N938 HydrophobicContact CE-CB 3.68Å; M924-N938 HydrophobicContact SD-CB 3.71Å; M924-Q939 HydrophobicContact CE-CB 3.61Å; M924-Q939 HydrophobicContact CE-CG 4.06Å; M924-L942 HydrophobicContact CE-CD1 4.39Å
925A83.1Confident71.8Confident55 Ų5581.6 Ų81.646%0.45544%0.443SS..Hα-helixtrans-58.7-43.7176.400000112.5P921 M923 L928 E929P921-A925 PolarHBondContact O-N 2.69Å; P921-A925 VanDerWaalsContact O-N 3.14Å; M923-A925 VanDerWaalsContact C-N 3.31Å; A925-L928 PolarHBondContact O-N 3.45Å; A925-E929 WeakPolarHBondContact O-CB 3.34Å; A925-E929 PolarHBondContact O-N 3.5Å
926V86.9Confident74.3Confident49 Ų4986.8 Ų86.830%0.29747%0.466SS..Hα-helixtrans-68.2-37.7179.5179.10000112.1S922 M923 M924 L928 E929 M930 L949S922-V926 WeakPolarHBondContact O-CG2 2.99Å; M923-V926 PolarHBondContact O-N 2.61Å; M924-V926 VanDerWaalsContact C-N 3.35Å; M924-V926 PolarHBondContact O-N 3.37Å; V926-L928 VanDerWaalsContact C-N 3.35Å; V926-E929 PolarHBondContact O-N 2.85Å; V926-M930 HydrophobicContact CG1-CE 3.97Å; V926-M930 HydrophobicContact CG1-SD 4.38Å; V926-M930 WeakPolarHBondContact O-CG 3.49Å; V926-M930 PolarHBondContact O-N 3.25Å; V926-L949 HydrophobicContact CG1-CD1 4.5Å; V926-L949 HydrophobicContact CG1-CD2 3.76Å
927L88.3Confident76.7Confident0 Ų083.8 Ų83.80%044%0.441CS..Hα-helixtrans-63.6-40.6173.1-71.6172.4000111.9M923 M924 M930 G931 F932 N938 L942 L949 T952 V953 L956M923-L927 WeakPolarHBondContact O-CG 3.27Å; M923-L927 PolarHBondContact O-N 3.41Å; M924-L927 PolarHBondContact O-N 3.08Å; L927-M930 HydrophobicContact CD2-CE 3.82Å; L927-M930 PolarHBondContact O-N 3.19Å; L927-G931 PolarHBondContact O-N 3.34Å; L927-F932 HydrophobicContact CB-CB 4.47Å; L927-F932 HydrophobicContact CD2-CD2 4.14Å; L927-F932 WeakPolarHBondContact O-CB 3.31Å; L927-F932 PolarHBondContact O-N 2.88Å; L927-N938 WeakPolarHBondContact CB-ND2 3.49Å; L927-N938 HydrophobicContact CD1-CB 3.7Å; L927-L942 HydrophobicContact CD1-CD1 3.77Å; L927-L942 HydrophobicContact CD1-CD2 4.08Å; L927-L942 HydrophobicContact CD1-CG 3.76Å; L927-L949 HydrophobicContact CD1-CD1 4.42Å; L927-L949 HydrophobicContact CD2-CD1 3.63Å; L927-L949 HydrophobicContact CG-CD1 3.7Å; L927-T952 HydrophobicContact CD1-CG2 3.79Å; L927-T952 HydrophobicContact CD2-CG2 4.12Å; L927-V953 HydrophobicContact CD2-CG2 3.67Å; L927-L956 HydrophobicContact CD2-CD1 3.84Å
928L86.2Confident79.2Confident58 Ų5875.2 Ų75.230%0.30440%0.401SS..Hα-helixtrans-65.6-40.4175.4-70.8165.2000112.3M924 A925 V926 G931 Q935M924-L928 HydrophobicContact CG-CD1 4.02Å; M924-L928 VanDerWaalsContact O-CG 3.31Å; M924-L928 WeakPolarHBondContact O-CG 3.33Å; M924-L928 PolarHBondContact O-N 3.31Å; M924-L928 HydrophobicContact SD-CD1 4.39Å; M924-L928 HydrophobicContact SD-CG 4.49Å; A925-L928 PolarHBondContact O-N 3.45Å; V926-L928 VanDerWaalsContact C-N 3.35Å; L928-G931 WeakPolarHBondContact O-CA 3.42Å; L928-G931 PolarHBondContact O-N 2.94Å; L928-Q935 HydrophobicContact CD1-CG 4.15Å; L928-Q935 HydrophobicContact CD2-CG 3.83Å; L928-Q935 HydrophobicContact CG-CG 4.42Å
929E87.2Confident81.4Confident165 Ų16571.8 Ų71.877%0.77138%0.381SS*.Hα-helixtrans-64.9-37.5175.7-172.7175.6-171.100112A925 V926 G931A925-E929 WeakPolarHBondContact O-CB 3.34Å; A925-E929 PolarHBondContact O-N 3.5Å; V926-E929 PolarHBondContact O-N 2.85Å; E929-G931 PolarHBondContact O-N 3.34Å
930M83.4Confident83.3Confident89 Ų8973.9 Ų73.944%0.43839%0.391SS..THydrogen-bonded Turntrans-73.82.3170.6-67-176.1-56.400113.9V926 L927 F932 L949 V953V926-M930 HydrophobicContact CG1-CE 3.97Å; V926-M930 HydrophobicContact CG1-SD 4.38Å; V926-M930 WeakPolarHBondContact O-CG 3.49Å; V926-M930 PolarHBondContact O-N 3.25Å; L927-M930 HydrophobicContact CD2-CE 3.82Å; L927-M930 PolarHBondContact O-N 3.19Å; M930-F932 HydrophobicContact CB-CD2 3.98Å; M930-F932 HydrophobicContact CB-CE2 4Å; M930-F932 HydrophobicContact CE-CE2 4.47Å; M930-L949 HydrophobicContact CE-CD1 4.13Å; M930-L949 HydrophobicContact CE-CD2 4.36Å; M930-L949 HydrophobicContact CE-CG 4.39Å; M930-V953 HydrophobicContact CE-CG2 3.37Å; M930-V953 HydrophobicContact SD-CG2 4.32Å
931G83.4Confident85Confident43 Ų4372.1 Ų72.144%0.44338%0.382SS..THydrogen-bonded Turntrans92.30.2172.700000115.9L927 L928 E929 K933L927-G931 PolarHBondContact O-N 3.34Å; L928-G931 WeakPolarHBondContact O-CA 3.42Å; L928-G931 PolarHBondContact O-N 2.94Å; E929-G931 PolarHBondContact O-N 3.34Å; G931-K933 PolarHBondContact O-N 3.04Å
932F88.3Confident86.6Confident45 Ų4568 Ų6820%0.19736%0.355CS..  trans-77.289.7175.1-58.2-75.6000109.8L927 M930 D934 N938 V953 L956 V957L927-F932 HydrophobicContact CB-CB 4.47Å; L927-F932 HydrophobicContact CD2-CD2 4.14Å; L927-F932 WeakPolarHBondContact O-CB 3.31Å; L927-F932 PolarHBondContact O-N 2.88Å; M930-F932 HydrophobicContact CB-CD2 3.98Å; M930-F932 HydrophobicContact CB-CE2 4Å; M930-F932 HydrophobicContact CE-CE2 4.47Å; F932-D934 PolarHBondContact O-N 3.02Å; F932-N938 PolarHBondContact O-ND2 2.8Å; F932-V953 HydrophobicContact CE2-CG1 4.09Å; F932-V953 HydrophobicContact CE2-CG2 4.21Å; F932-V953 HydrophobicContact CZ-CG1 4.15Å; F932-L956 HydrophobicContact CB-CD1 4.18Å; F932-L956 HydrophobicContact CD1-CB 3.73Å; F932-L956 HydrophobicContact CD1-CD1 3.98Å; F932-L956 HydrophobicContact CD1-CD2 4.37Å; F932-L956 HydrophobicContact CD1-CG 4.25Å; F932-L956 HydrophobicContact CD2-CD1 4.22Å; F932-L956 HydrophobicContact CE1-CB 3.57Å; F932-L956 HydrophobicContact CE1-CD1 4.44Å; F932-L956 HydrophobicContact CG-CB 4.43Å; F932-L956 HydrophobicContact CG-CD1 3.86Å; F932-L956 HydrophobicContact CZ-CB 4.17Å; F932-V957 HydrophobicContact CE1-CG2 4.33Å; F932-V957 HydrophobicContact CZ-CG2 3.91Å
933K82.6Confident87.2Confident176 Ų17670.4 Ų70.477%0.76535%0.352SS*.  trans-77.3-15.1-169.3-71.3172.1-173.41770115.4G931 Q935G931-K933 PolarHBondContact O-N 3.04Å; K933-Q935 PolarHBondContact O-N 3.24Å
934D89.4Confident87.7Confident86 Ų8674.7 Ų74.746%0.4637%0.37SS..  trans-80.397.6177.9-171.5-25.3000111.2F932 Q936 L937 N938F932-D934 PolarHBondContact O-N 3.02Å; D934-Q936 VanDerWaalsContact C-N 3.29Å; D934-Q936 PolarHBondContact O-N 2.83Å; D934-Q936 WeakPolarHBondContact OD1-CA 3.32Å; D934-Q936 PolarHBondContact OD1-N 3.38Å; D934-L937 HydrophobicContact CB-CB 3.98Å; D934-L937 VanDerWaalsContact CG-CB 3.48Å; D934-L937 PolarHBondContact OD1-N 3Å; D934-N938 WeakPolarHBondContact O-CB 3.41Å; D934-N938 PolarHBondContact O-N 3.26Å; D934-N938 PolarHBondContact O-ND2 2.91Å; D934-N938 PolarHBondContact O-OD1 3Å
935Q87.2Confident87.8Confident116 Ų11675.7 Ų75.754%0.54237%0.374SS..Hα-helixtrans-65.1-28.4178.9-65.7-179.1-0.700113.5M924 L928 K933 Q939M924-Q935 VanDerWaalsContact CE-O 3.3Å; M924-Q935 WeakPolarHBondContact CE-O 3.2Å; M924-Q935 HydrophobicContact SD-CB 4.07Å; M924-Q935 HydrophobicContact SD-CG 4.06Å; L928-Q935 HydrophobicContact CD1-CG 4.15Å; L928-Q935 HydrophobicContact CD2-CG 3.83Å; L928-Q935 HydrophobicContact CG-CG 4.42Å; K933-Q935 PolarHBondContact O-N 3.24Å; Q935-Q939 WeakPolarHBondContact O-CB 2.95Å; Q935-Q939 PolarHBondContact O-N 2.6Å; Q935-Q939 VanDerWaalsContact O-N 3.07Å
936Q87.8Confident87.9Confident161 Ų16176.3 Ų76.375%0.75239%0.385SS*.Hα-helixtrans-77.5-47.1-179.1-68-165.4-3900110.8D934 N938 Q939 Q940D934-Q936 VanDerWaalsContact C-N 3.29Å; D934-Q936 PolarHBondContact O-N 2.83Å; D934-Q936 WeakPolarHBondContact OD1-CA 3.32Å; D934-Q936 PolarHBondContact OD1-N 3.38Å; Q936-N938 PolarHBondContact O-N 3.27Å; Q936-Q939 PolarHBondContact O-N 3.41Å; Q936-Q940 WeakPolarHBondContact O-CB 3.47Å; Q936-Q940 PolarHBondContact O-N 3.03Å
937L89.1Confident87.9Confident52 Ų5276.8 Ų76.827%0.27238%0.382SS..Hα-helixtrans-60.4-45.2173.9-176.461.3000111D934 Q939 Q940 L941 L956 M959D934-L937 HydrophobicContact CB-CB 3.98Å; D934-L937 VanDerWaalsContact CG-CB 3.48Å; D934-L937 PolarHBondContact OD1-N 3Å; L937-Q939 PolarHBondContact O-N 2.87Å; L937-Q940 PolarHBondContact O-N 2.78Å; L937-L941 HydrophobicContact CD1-CD1 3.99Å; L937-L941 HydrophobicContact CD1-CG 4.21Å; L937-L941 HydrophobicContact CG-CD1 4.01Å; L937-L941 WeakPolarHBondContact O-CB 3.36Å; L937-L941 WeakPolarHBondContact O-CG 3.28Å; L937-L941 PolarHBondContact O-N 3.37Å; L937-L956 HydrophobicContact CD2-CD2 3.79Å; L937-L956 HydrophobicContact CG-CD2 3.95Å; L937-M959 HydrophobicContact CD1-SD 4.13Å; L937-M959 HydrophobicContact CD2-SD 4.16Å
938N91.9Very high87.8Confident0 Ų080.2 Ų80.20%040%0.4CS..Hα-helixtrans-55.5-47.1174.2-74-10.2000112.2M924 L927 F932 D934 Q936 Q940 L941 L942 L956M924-N938 HydrophobicContact CE-CB 3.68Å; M924-N938 HydrophobicContact SD-CB 3.71Å; L927-N938 WeakPolarHBondContact CB-ND2 3.49Å; L927-N938 HydrophobicContact CD1-CB 3.7Å; F932-N938 PolarHBondContact O-ND2 2.8Å; D934-N938 WeakPolarHBondContact O-CB 3.41Å; D934-N938 PolarHBondContact O-N 3.26Å; D934-N938 PolarHBondContact O-ND2 2.91Å; D934-N938 PolarHBondContact O-OD1 3Å; Q936-N938 PolarHBondContact O-N 3.27Å; N938-Q940 VanDerWaalsContact C-N 3.34Å; N938-L941 PolarHBondContact O-N 3.29Å; N938-L942 WeakPolarHBondContact O-CB 3.43Å; N938-L942 WeakPolarHBondContact O-CG 3.44Å; N938-L942 PolarHBondContact O-N 3.03Å; N938-L956 WeakPolarHBondContact OD1-CD1 3.08Å
939Q88.9Confident87.9Confident58 Ų5879.7 Ų79.727%0.27140%0.398SS..Hα-helixtrans-72.8-29.3-177.3-152-165.327.400111.8D920 M924 Q935 Q936 L937 R943D920-Q939 PolarHBondContact OD2-NE2 3.25Å; M924-Q939 HydrophobicContact CE-CB 3.61Å; M924-Q939 HydrophobicContact CE-CG 4.06Å; Q935-Q939 WeakPolarHBondContact O-CB 2.95Å; Q935-Q939 PolarHBondContact O-N 2.6Å; Q935-Q939 VanDerWaalsContact O-N 3.07Å; Q936-Q939 PolarHBondContact O-N 3.41Å; L937-Q939 PolarHBondContact O-N 2.87Å; Q939-R943 VanDerWaalsContact CD-CZ 3.43Å; Q939-R943 VanDerWaalsContact CD-NH1 3.26Å; Q939-R943 WeakPolarHBondContact O-CB 3.38Å; Q939-R943 WeakPolarHBondContact O-CG 3.43Å; Q939-R943 PolarHBondContact O-N 3.24Å; Q939-R943 PolarHBondContact O-NE 2.89Å; Q939-R943 VanDerWaalsContact O-NE 3.1Å
940Q90.5Very high88Confident133 Ų13377.3 Ų77.362%0.62139%0.39SS*.Hα-helixtrans-68.8-45.3172-178169.8-23.300111.2Q936 L937 N938 R943 K944Q936-Q940 WeakPolarHBondContact O-CB 3.47Å; Q936-Q940 PolarHBondContact O-N 3.03Å; L937-Q940 PolarHBondContact O-N 2.78Å; N938-Q940 VanDerWaalsContact C-N 3.34Å; Q940-R943 PolarHBondContact O-N 3.1Å; Q940-K944 WeakPolarHBondContact O-CB 3.43Å; Q940-K944 PolarHBondContact O-N 2.9Å
941L90.6Very high88.2Confident4 Ų477.9 Ų77.92%0.02139%0.391CS..Hα-helixtrans-74.1-37-179.2-68176.6000113.2L937 N938 R943 K944 H945 T952 E955 L956 M959L937-L941 HydrophobicContact CD1-CD1 3.99Å; L937-L941 HydrophobicContact CD1-CG 4.21Å; L937-L941 HydrophobicContact CG-CD1 4.01Å; L937-L941 WeakPolarHBondContact O-CB 3.36Å; L937-L941 WeakPolarHBondContact O-CG 3.28Å; L937-L941 PolarHBondContact O-N 3.37Å; N938-L941 PolarHBondContact O-N 3.29Å; L941-R943 VanDerWaalsContact C-N 3.32Å; L941-R943 PolarHBondContact O-N 3.27Å; L941-K944 HydrophobicContact CD2-CD 3.77Å; L941-K944 WeakPolarHBondContact O-CB 3.4Å; L941-K944 PolarHBondContact O-N 3.25Å; L941-H945 PolarHBondContact O-CD2 2.84Å; L941-H945 PolarHBondContact O-N 3Å; L941-T952 HydrophobicContact CB-CG2 3.77Å; L941-E955 VanDerWaalsContact CD2-OE1 3.26Å; L941-E955 WeakPolarHBondContact CD2-OE1 3.42Å; L941-L956 HydrophobicContact CD1-CD2 3.62Å; L941-L956 HydrophobicContact CD1-CG 3.68Å; L941-M959 HydrophobicContact CD1-CE 3.92Å; L941-M959 HydrophobicContact CD1-SD 4.35Å; L941-M959 HydrophobicContact CD2-CE 3.96Å; L941-M959 HydrophobicContact CG-CE 4.5Å
942L91.4Very high88.6Confident0 Ų075.8 Ų75.80%037%0.37CS..Hα-helixtrans-56.4-46.6169.2-78.6173.7000110.8M923 M924 L927 N938 H945 G946 Y947 T952M923-L942 HydrophobicContact CB-CD1 4.15Å; M923-L942 HydrophobicContact CB-CD2 4.09Å; M924-L942 HydrophobicContact CE-CD1 4.39Å; L927-L942 HydrophobicContact CD1-CD1 3.77Å; L927-L942 HydrophobicContact CD1-CD2 4.08Å; L927-L942 HydrophobicContact CD1-CG 3.76Å; N938-L942 WeakPolarHBondContact O-CB 3.43Å; N938-L942 WeakPolarHBondContact O-CG 3.44Å; N938-L942 PolarHBondContact O-N 3.03Å; L942-H945 PolarHBondContact O-N 3.46Å; L942-G946 PolarHBondContact O-N 2.7Å; L942-Y947 HydrophobicContact CB-CD1 3.91Å; L942-Y947 HydrophobicContact CB-CE1 3.94Å; L942-Y947 HydrophobicContact CD2-CD1 4.49Å; L942-Y947 WeakPolarHBondContact O-CA 3.28Å; L942-Y947 PolarHBondContact O-N 3.27Å; L942-T952 HydrophobicContact CD2-CG2 4.2Å; L942-T952 HydrophobicContact CG-CG2 4.2Å
943R87.9Confident88.7Confident129 Ų12975 Ų7549%0.48737%0.368SS..Hα-helixtrans-67.4-38.4176.4-74.9-177-70.9-135.31.3112.8Q939 Q940 L941 H945 G946 Y947Q939-R943 VanDerWaalsContact CD-CZ 3.43Å; Q939-R943 VanDerWaalsContact CD-NH1 3.26Å; Q939-R943 WeakPolarHBondContact O-CB 3.38Å; Q939-R943 WeakPolarHBondContact O-CG 3.43Å; Q939-R943 PolarHBondContact O-N 3.24Å; Q939-R943 PolarHBondContact O-NE 2.89Å; Q939-R943 VanDerWaalsContact O-NE 3.1Å; Q940-R943 PolarHBondContact O-N 3.1Å; L941-R943 VanDerWaalsContact C-N 3.32Å; L941-R943 PolarHBondContact O-N 3.27Å; R943-H945 VanDerWaalsContact C-N 3.31Å; R943-H945 PolarHBondContact O-N 3.45Å; R943-G946 PolarHBondContact O-N 3.24Å; R943-Y947 HydrophobicContact CG-CE1 4.47Å; R943-Y947 HydrophobicContact CG-CE2 4.02Å; R943-Y947 VanDerWaalsContact CG-OH 3.27Å; R943-Y947 WeakPolarHBondContact CG-OH 3.45Å
944K91.1Very high89.2Confident124 Ų12471 Ų7154%0.53936%0.355SS..Hα-helixtrans-57.6-42.1174.6-171.4-168.7-176.6-164.30112.1Q940 L941 E955Q940-K944 WeakPolarHBondContact O-CB 3.43Å; Q940-K944 PolarHBondContact O-N 2.9Å; L941-K944 HydrophobicContact CD2-CD 3.77Å; L941-K944 WeakPolarHBondContact O-CB 3.4Å; L941-K944 PolarHBondContact O-N 3.25Å; K944-E955 IonicContact NZ-OE1 3.45Å; K944-E955 PolarHBondContact NZ-OE1 2.78Å; K944-E955 IonicContact NZ-OE2 2.59Å; K944-E955 PolarHBondContact NZ-OE2 3.15Å
945H88.3Confident89.3Confident47 Ų4768.7 Ų68.722%0.21834%0.342CS..THydrogen-bonded Turntrans-95.919.9-176-69.1-61000114.2L941 L942 R943 Y947 N948 H951 E955L941-H945 PolarHBondContact O-CD2 2.84Å; L941-H945 PolarHBondContact O-N 3Å; L942-H945 PolarHBondContact O-N 3.46Å; R943-H945 VanDerWaalsContact C-N 3.31Å; R943-H945 PolarHBondContact O-N 3.45Å; H945-Y947 VanDerWaalsContact C-N 3.26Å; H945-Y947 PolarHBondContact O-N 3.49Å; H945-N948 HydrophobicContact CB-CB 4.35Å; H945-N948 WeakPolarHBondContact O-CB 3.37Å; H945-N948 PolarHBondContact O-N 2.82Å; H945-H951 HydrophobicContact CB-CB 3.99Å; H945-E955 IonicContact CD2-OE2 3.88Å; H945-E955 IonicContact CE1-OE2 2.96Å; H945-E955 PolarHBondContact CE1-OE2 3.18Å; H945-E955 VanDerWaalsContact CE1-OE2 3.3Å; H945-E955 IonicContact NE2-OE2 3.81Å; H945-E955 PolarHBondContact NE2-OE2 3.02Å
946G86.5Confident89.5Confident67 Ų6763.6 Ų63.669%0.69132%0.319SS*.THydrogen-bonded Turntrans58.638.7177.300000113L942 R943 N948L942-G946 PolarHBondContact O-N 2.7Å; R943-G946 PolarHBondContact O-N 3.24Å; G946-N948 VanDerWaalsContact C-N 3.27Å; G946-N948 PolarHBondContact O-N 3.15Å
947Y86.8Confident89.6Confident60 Ų6058.7 Ų58.724%0.23530%0.299CS..THydrogen-bonded Turntrans6323.2-175.1-72.1-76.5000115.5D920 M923 L942 R943 H945 L949D920-Y947 HydrophobicContact CB-CE1 4.32Å; D920-Y947 WeakPolarHBondContact OD1-CE1 3.48Å; D920-Y947 VanDerWaalsContact OD1-CZ 3.3Å; D920-Y947 PolarHBondContact OD1-OH 3.39Å; M923-Y947 HydrophobicContact CE-CD1 4.06Å; M923-Y947 HydrophobicContact CE-CG 4.37Å; M923-Y947 WeakPolarHBondContact CE-O 3.44Å; M923-Y947 VanDerWaalsContact SD-O 3.38Å; L942-Y947 HydrophobicContact CB-CD1 3.91Å; L942-Y947 HydrophobicContact CB-CE1 3.94Å; L942-Y947 HydrophobicContact CD2-CD1 4.49Å; L942-Y947 WeakPolarHBondContact O-CA 3.28Å; L942-Y947 PolarHBondContact O-N 3.27Å; R943-Y947 HydrophobicContact CG-CE1 4.47Å; R943-Y947 HydrophobicContact CG-CE2 4.02Å; R943-Y947 VanDerWaalsContact CG-OH 3.27Å; R943-Y947 WeakPolarHBondContact CG-OH 3.45Å; H945-Y947 VanDerWaalsContact C-N 3.26Å; H945-Y947 PolarHBondContact O-N 3.49Å; Y947-L949 PolarHBondContact O-N 3.08Å
948N86Confident89.6Confident71 Ų7161.2 Ų61.238%0.3831%0.31SS..  trans-83.2107.5172.5-169.2-40.2000112H945 G946 L950 H951 T952H945-N948 HydrophobicContact CB-CB 4.35Å; H945-N948 WeakPolarHBondContact O-CB 3.37Å; H945-N948 PolarHBondContact O-N 2.82Å; G946-N948 VanDerWaalsContact C-N 3.27Å; G946-N948 PolarHBondContact O-N 3.15Å; N948-L950 VanDerWaalsContact C-N 3.34Å; N948-L950 PolarHBondContact O-N 3.28Å; N948-L950 PolarHBondContact OD1-N 3.14Å; N948-H951 PolarHBondContact OD1-N 3.28Å; N948-T952 WeakPolarHBondContact O-CB 3.41Å; N948-T952 PolarHBondContact O-N 2.6Å; N948-T952 VanDerWaalsContact O-N 3.14Å; N948-T952 PolarHBondContact O-OG1 3.03Å
949L88.6Confident89.2Confident48 Ų4864.1 Ų64.125%0.25132%0.324SS..Hα-helixtrans-58.9-39.2179.2-17271.9000113.3M923 V926 L927 M930 Y947 T952 V953M923-L949 HydrophobicContact CB-CD1 4.48Å; M923-L949 HydrophobicContact SD-CB 4.4Å; V926-L949 HydrophobicContact CG1-CD1 4.5Å; V926-L949 HydrophobicContact CG1-CD2 3.76Å; L927-L949 HydrophobicContact CD1-CD1 4.42Å; L927-L949 HydrophobicContact CD2-CD1 3.63Å; L927-L949 HydrophobicContact CG-CD1 3.7Å; M930-L949 HydrophobicContact CE-CD1 4.13Å; M930-L949 HydrophobicContact CE-CD2 4.36Å; M930-L949 HydrophobicContact CE-CG 4.39Å; Y947-L949 PolarHBondContact O-N 3.08Å; L949-T952 WeakPolarHBondContact O-CB 3.48Å; L949-T952 PolarHBondContact O-N 3.42Å; L949-V953 HydrophobicContact CD1-CG2 4.44Å; L949-V953 HydrophobicContact CG-CG2 4.35Å; L949-V953 WeakPolarHBondContact O-CG2 3.35Å; L949-V953 PolarHBondContact O-N 2.76Å
950L87.4Confident88.8Confident115 Ų11563.2 Ų63.260%0.60233%0.326SS*.Hα-helixtrans-67.4-44.6-174.9-179.663.2000111.9N948 T952 N954N948-L950 VanDerWaalsContact C-N 3.34Å; N948-L950 PolarHBondContact O-N 3.28Å; N948-L950 PolarHBondContact OD1-N 3.14Å; L950-T952 VanDerWaalsContact C-N 3.33Å; L950-N954 WeakPolarHBondContact O-CB 3.43Å; L950-N954 PolarHBondContact O-N 3.26Å; L950-N954 PolarHBondContact O-ND2 3.26Å
951H89.1Confident88.5Confident100 Ų10062.5 Ų62.546%0.46332%0.323SS..Hα-helixtrans-67.6-35.8174.6-80.8-92.5000112.1H945 N948 N954 E955H945-H951 HydrophobicContact CB-CB 3.99Å; N948-H951 PolarHBondContact OD1-N 3.28Å; H951-N954 PolarHBondContact O-N 3.44Å; H951-E955 PolarHBondContact O-N 2.87Å; H951-E955 VanDerWaalsContact O-N 3.1Å
952T91.1Very high87.9Confident0 Ų067.5 Ų67.50%035%0.346CS..Hα-helixtrans-62.2-48.1175.7-58.30000111.8L927 L941 L942 N948 L949 L950 E955 L956L927-T952 HydrophobicContact CD1-CG2 3.79Å; L927-T952 HydrophobicContact CD2-CG2 4.12Å; L941-T952 HydrophobicContact CB-CG2 3.77Å; L942-T952 HydrophobicContact CD2-CG2 4.2Å; L942-T952 HydrophobicContact CG-CG2 4.2Å; N948-T952 WeakPolarHBondContact O-CB 3.41Å; N948-T952 PolarHBondContact O-N 2.6Å; N948-T952 VanDerWaalsContact O-N 3.14Å; N948-T952 PolarHBondContact O-OG1 3.03Å; L949-T952 WeakPolarHBondContact O-CB 3.48Å; L949-T952 PolarHBondContact O-N 3.42Å; L950-T952 VanDerWaalsContact C-N 3.33Å; T952-E955 PolarHBondContact O-N 3.39Å; T952-L956 HydrophobicContact CG2-CD1 3.86Å; T952-L956 WeakPolarHBondContact O-CB 3.2Å; T952-L956 VanDerWaalsContact O-CG 3.31Å; T952-L956 WeakPolarHBondContact O-CG 3.27Å; T952-L956 PolarHBondContact O-N 3.45Å
953V91.6Very high86.9Confident27 Ų2771.4 Ų71.416%0.16437%0.374CS..Hα-helixtrans-63.9-43.2177.3171.40000111.6L927 M930 F932 L949 E955 L956 V957L927-V953 HydrophobicContact CD2-CG2 3.67Å; M930-V953 HydrophobicContact CE-CG2 3.37Å; M930-V953 HydrophobicContact SD-CG2 4.32Å; F932-V953 HydrophobicContact CE2-CG1 4.09Å; F932-V953 HydrophobicContact CE2-CG2 4.21Å; F932-V953 HydrophobicContact CZ-CG1 4.15Å; L949-V953 HydrophobicContact CD1-CG2 4.44Å; L949-V953 HydrophobicContact CG-CG2 4.35Å; L949-V953 WeakPolarHBondContact O-CG2 3.35Å; L949-V953 PolarHBondContact O-N 2.76Å; V953-E955 VanDerWaalsContact C-N 3.32Å; V953-E955 PolarHBondContact O-N 2.93Å; V953-L956 PolarHBondContact O-N 2.98Å; V953-V957 HydrophobicContact CG1-CG2 4.25Å; V953-V957 WeakPolarHBondContact O-CG2 3.46Å; V953-V957 PolarHBondContact O-N 3.1Å
954N91.3Very high85.7Confident92 Ų9272.7 Ų72.749%0.49239%0.385SS..Hα-helixtrans-60.2-42178.7-71.7-12.6000111.9L950 H951 Q958L950-N954 WeakPolarHBondContact O-CB 3.43Å; L950-N954 PolarHBondContact O-N 3.26Å; L950-N954 PolarHBondContact O-ND2 3.26Å; H951-N954 PolarHBondContact O-N 3.44Å; N954-Q958 WeakPolarHBondContact O-CB 3.2Å; N954-Q958 PolarHBondContact O-N 3.41Å
955E91.7Very high83.9Confident38 Ų3873.6 Ų73.618%0.17840%0.396CS..Hα-helixtrans-71.7-37.2177.8-154-179.3132.300112.2L941 K944 H945 H951 T952 V953 Q958 M959L941-E955 VanDerWaalsContact CD2-OE1 3.26Å; L941-E955 WeakPolarHBondContact CD2-OE1 3.42Å; K944-E955 IonicContact NZ-OE1 3.45Å; K944-E955 PolarHBondContact NZ-OE1 2.78Å; K944-E955 IonicContact NZ-OE2 2.59Å; K944-E955 PolarHBondContact NZ-OE2 3.15Å; H945-E955 IonicContact CD2-OE2 3.88Å; H945-E955 IonicContact CE1-OE2 2.96Å; H945-E955 PolarHBondContact CE1-OE2 3.18Å; H945-E955 VanDerWaalsContact CE1-OE2 3.3Å; H945-E955 IonicContact NE2-OE2 3.81Å; H945-E955 PolarHBondContact NE2-OE2 3.02Å; H951-E955 PolarHBondContact O-N 2.87Å; H951-E955 VanDerWaalsContact O-N 3.1Å; T952-E955 PolarHBondContact O-N 3.39Å; V953-E955 VanDerWaalsContact C-N 3.32Å; V953-E955 PolarHBondContact O-N 2.93Å; E955-Q958 PolarHBondContact O-N 2.86Å; E955-M959 HydrophobicContact CG-CE 3.86Å; E955-M959 WeakPolarHBondContact O-CG 3.25Å; E955-M959 PolarHBondContact O-N 2.92Å; E955-M959 WeakPolarHBondContact OE1-CE 3.17Å
956L91.7Very high81.9Confident10 Ų1082.8 Ų82.85%0.05244%0.439CS..Hα-helixtrans-62.9-40173.7-76164.6000112.7L927 F932 L937 N938 L941 T952 V953 A960L927-L956 HydrophobicContact CD2-CD1 3.84Å; F932-L956 HydrophobicContact CB-CD1 4.18Å; F932-L956 HydrophobicContact CD1-CB 3.73Å; F932-L956 HydrophobicContact CD1-CD1 3.98Å; F932-L956 HydrophobicContact CD1-CD2 4.37Å; F932-L956 HydrophobicContact CD1-CG 4.25Å; F932-L956 HydrophobicContact CD2-CD1 4.22Å; F932-L956 HydrophobicContact CE1-CB 3.57Å; F932-L956 HydrophobicContact CE1-CD1 4.44Å; F932-L956 HydrophobicContact CG-CB 4.43Å; F932-L956 HydrophobicContact CG-CD1 3.86Å; F932-L956 HydrophobicContact CZ-CB 4.17Å; L937-L956 HydrophobicContact CD2-CD2 3.79Å; L937-L956 HydrophobicContact CG-CD2 3.95Å; N938-L956 WeakPolarHBondContact OD1-CD1 3.08Å; L941-L956 HydrophobicContact CD1-CD2 3.62Å; L941-L956 HydrophobicContact CD1-CG 3.68Å; T952-L956 HydrophobicContact CG2-CD1 3.86Å; T952-L956 WeakPolarHBondContact O-CB 3.2Å; T952-L956 VanDerWaalsContact O-CG 3.31Å; T952-L956 WeakPolarHBondContact O-CG 3.27Å; T952-L956 PolarHBondContact O-N 3.45Å; V953-L956 PolarHBondContact O-N 2.98Å; L956-A960 WeakPolarHBondContact O-CB 3.32Å; L956-A960 PolarHBondContact O-N 3.28Å; L956-A960 VanDerWaalsContact O-N 3.08Å
957V90.3Very high81.6Confident58 Ų5883.6 Ų83.635%0.35243%0.426SS..Hα-helixtrans-66.1-45.3174.4171.80000110.3F932 V953 M959 A960 E961F932-V957 HydrophobicContact CE1-CG2 4.33Å; F932-V957 HydrophobicContact CZ-CG2 3.91Å; V953-V957 HydrophobicContact CG1-CG2 4.25Å; V953-V957 WeakPolarHBondContact O-CG2 3.46Å; V953-V957 PolarHBondContact O-N 3.1Å; V957-M959 PolarHBondContact O-N 3.35Å; V957-A960 CarbonylContact O-C 3.45Å; V957-A960 PolarHBondContact O-N 2.84Å; V957-A960 VanDerWaalsContact O-N 3.09Å; V957-E961 PolarHBondContact O-N 3.34Å
958Q89.1Confident81.4Confident104 Ų10484.8 Ų84.849%0.48644%0.436SS..Hα-helixtrans-60.6-44.6177.8-175.3177.1-17.900111.8N954 E955 A960 E961 E962N954-Q958 WeakPolarHBondContact O-CB 3.2Å; N954-Q958 PolarHBondContact O-N 3.41Å; E955-Q958 PolarHBondContact O-N 2.86Å; Q958-A960 VanDerWaalsContact C-N 3.28Å; Q958-A960 PolarHBondContact O-N 3.17Å; Q958-E961 PolarHBondContact O-N 3.46Å; Q958-E962 HydrophobicContact CG-CG 4.46Å; Q958-E962 WeakPolarHBondContact CG-OE1 3.23Å; Q958-E962 PolarHBondContact NE2-OE1 2.84Å; Q958-E962 WeakPolarHBondContact O-CB 3.4Å; Q958-E962 WeakPolarHBondContact O-CG 3.47Å; Q958-E962 PolarHBondContact O-N 2.78Å
959M84.6Confident81.1Confident62 Ų6285.6 Ų85.631%0.30544%0.439SS..Hα-helixtrans-60.3-37.1174-69.7-176.6-162.500112.4L937 L941 E955 V957 E962 S963L937-M959 HydrophobicContact CD1-SD 4.13Å; L937-M959 HydrophobicContact CD2-SD 4.16Å; L941-M959 HydrophobicContact CD1-CE 3.92Å; L941-M959 HydrophobicContact CD1-SD 4.35Å; L941-M959 HydrophobicContact CD2-CE 3.96Å; L941-M959 HydrophobicContact CG-CE 4.5Å; E955-M959 HydrophobicContact CG-CE 3.86Å; E955-M959 WeakPolarHBondContact O-CG 3.25Å; E955-M959 PolarHBondContact O-N 2.92Å; E955-M959 WeakPolarHBondContact OE1-CE 3.17Å; V957-M959 PolarHBondContact O-N 3.35Å; M959-E962 PolarHBondContact O-N 2.66Å; M959-S963 WeakPolarHBondContact O-CB 3.17Å; M959-S963 PolarHBondContact O-N 3.31Å; M959-S963 PolarHBondContact O-OG 2.73Å; M959-S963 VanDerWaalsContact O-OG 3.09Å
960A80.2Confident80.7Confident38 Ų3887.8 Ų87.831%0.31445%0.45SS..Hα-helixtrans-73.6-24.2177.900000113.7L956 V957 Q958 Q964L956-A960 WeakPolarHBondContact O-CB 3.32Å; L956-A960 PolarHBondContact O-N 3.28Å; L956-A960 VanDerWaalsContact O-N 3.08Å; V957-A960 CarbonylContact O-C 3.45Å; V957-A960 PolarHBondContact O-N 2.84Å; V957-A960 VanDerWaalsContact O-N 3.09Å; Q958-A960 VanDerWaalsContact C-N 3.28Å; Q958-A960 PolarHBondContact O-N 3.17Å; A960-Q964 WeakPolarHBondContact O-CG 3.22Å; A960-Q964 PolarHBondContact O-NE2 3.48Å
961E82.9Confident80.3Confident119 Ų11986.1 Ų86.156%0.55644%0.441SS*.Hα-helixtrans-79.3-41.1170.3-71-179168.500111.1V957 Q958 Q964 N965V957-E961 PolarHBondContact O-N 3.34Å; Q958-E961 PolarHBondContact O-N 3.46Å; E961-Q964 PolarHBondContact O-N 2.98Å; E961-N965 PolarHBondContact O-ND2 3.34Å
962E78.1Confident79.7Confident109 Ų10985.1 Ų85.151%0.50944%0.44SS..Hα-helixtrans-63.5-47175.7-72.6170.8-175.300110.9Q958 M959 Q964 N965Q958-E962 HydrophobicContact CG-CG 4.46Å; Q958-E962 WeakPolarHBondContact CG-OE1 3.23Å; Q958-E962 PolarHBondContact NE2-OE1 2.84Å; Q958-E962 WeakPolarHBondContact O-CB 3.4Å; Q958-E962 WeakPolarHBondContact O-CG 3.47Å; Q958-E962 PolarHBondContact O-N 2.78Å; M959-E962 PolarHBondContact O-N 2.66Å; E962-Q964 PolarHBondContact O-N 3.25Å; E962-Q964 VanDerWaalsContact O-N 3.1Å; E962-N965 PolarHBondContact O-N 2.8Å
963S71.4Confident78.9Confident82 Ų8291.2 Ų91.257%0.57347%0.471SS*.THydrogen-bonded Turntrans-74.87.1177.575.80000115.1M959M959-S963 WeakPolarHBondContact O-CB 3.17Å; M959-S963 PolarHBondContact O-N 3.31Å; M959-S963 PolarHBondContact O-OG 2.73Å; M959-S963 VanDerWaalsContact O-OG 3.09Å
964Q61.7Low77.9Confident155 Ų15596.2 Ų96.272%0.72450%0.495SS*.THydrogen-bonded Turntrans-106.5-0.6167.6-82.3177.576.100112.6A960 E961 E962A960-Q964 WeakPolarHBondContact O-CG 3.22Å; A960-Q964 PolarHBondContact O-NE2 3.48Å; E961-Q964 PolarHBondContact O-N 2.98Å; E962-Q964 PolarHBondContact O-N 3.25Å; E962-Q964 VanDerWaalsContact O-N 3.1Å
965N53.8Low76.8Confident144 Ų14496.5 Ų96.577%0.7750%0.495SS*.  trans-111.24.5177.2-73.7-79.8000113.4E961 E962E961-N965 PolarHBondContact O-ND2 3.34Å; E962-N965 PolarHBondContact O-N 2.8Å
966E45.7Very low75.4Confident239 Ų239101.8 Ų101.8100%1.11752%0.524SS*.  trans-101.40166.2-64.2-164.5128.100111.7

Retrieved 966 of 966 residues in 143.1 ms (Link to these results)

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