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Small ribosomal subunit protein eS4

AlphaFold DB , UniProt , Accession P41042, Species DROME (Drosophila melanogaster, Fruit fly), Gene RpS4, Length 261 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
1M59.7Low87.9Confident228 Ų228122.1 Ų122.1100%1.12362%0.622SS**  0129.60-88.9-177.3-172.900109.5R3M1-R3 PolarHBondContact O-N 2.86Å
2A66.1Low88.5Confident98 Ų98124.7 Ų124.781%0.8164%0.637SS**  trans-62.5118.4169.400000109.1
3R88.1Confident89.1Confident242 Ų242119.4 Ų119.491%0.91362%0.623SS**  trans-93.2149.3-179-67.2-173-80.1176.9-3.5109.6M1M1-R3 PolarHBondContact O-N 2.86Å
4G93.2Very high89.5Confident59 Ų59111.6 Ų111.661%0.60859%0.585SS**SBendtrans96-176.6178.100000115.5K6G4-K6 PolarHBondContact O-N 3.42Å
5P92.9Very high89.9Confident109 Ų109104.8 Ų104.871%0.70855%0.55SS**  trans-70.5118.7-173.526.9-33.3000111.7K7P5-K7 PolarHBondContact O-N 3.08Å
6K91.3Very high90.1Very high156 Ų156110.9 Ų110.968%0.67857%0.571SS**  trans-66.9120175.6-65.4-176.3177.9179.60110.7G4 R30G4-K6 PolarHBondContact O-N 3.42Å; K6-R30 PolarHBondContact O-NE 3.01Å
7K92.9Very high90.3Very high161 Ų161105.8 Ų105.870%0.755%0.548SS*.  trans-81.1-23.3177.9-59-62.5-175.9173.50113.7P5 R30P5-K7 PolarHBondContact O-N 3.08Å; K7-R30 WeakPolarHBondContact O-CD 3.32Å
8H94.4Very high90.5Very high138 Ų13899.9 Ų99.964%0.63952%0.518SS*.  trans-102.7150.1-175.5-6192000112.4F27H8-F27 HydrophobicContact CB-CD1 4.31Å; H8-F27 HydrophobicContact CB-CE1 4.08Å
9L95.8Very high90.7Very high16 Ų1699.3 Ų99.38%0.08451%0.514CS..EExtended strand (participates in β ladder)trans-125.1119.7169179.663.6000108.6A13 A14 W18 A28 R30L9-A13 HydrophobicContact CD1-CB 4.38Å; L9-A14 HydrophobicContact CD2-CB 4.32Å; L9-W18 HydrophobicContact CD2-CH2 3.91Å; L9-W18 HydrophobicContact CD2-CZ3 3.76Å; L9-A28 HydrophobicContact CD2-CB 4.38Å; L9-A28 HydrophobicContact CG-CB 4.44Å; L9-A28 PolarHBondContact O-N 3.18Å; L9-R30 HydrophobicContact CB-CB 3.77Å; L9-R30 HydrophobicContact CB-CG 4.08Å
10K96.7Very high90.9Very high108 Ų10896 Ų9647%0.4750%0.497SS..EExtended strand (participates in β ladder)trans-71.1143.7174.6-68.6-66.6-173.4177.90109.8L12 A13 A14 V26 F27K10-L12 PolarHBondContact O-N 3.25Å; K10-A13 HydrophobicContact CB-CB 4.3Å; K10-A13 CarbonylContact O-C 3.58Å; K10-A13 PolarHBondContact O-N 3.39Å; K10-A14 PolarHBondContact O-N 2.86Å; K10-V26 HydrophobicContact CD-CG1 3.97Å; K10-F27 HydrophobicContact CD-CD1 4.05Å; K10-F27 HydrophobicContact CD-CE1 3.85Å
11R96.1Very high91Very high28 Ų2895.1 Ų95.111%0.10649%0.493CS..G310 helixtrans-62.1-42.1-175.8-171.5169.1-68.1-163.16.3113A13 A14 L20 D21 G24 G25 V26 F27 A28R11-A13 PolarHBondContact O-N 2.92Å; R11-A14 WeakPolarHBondContact O-CB 3.18Å; R11-A14 PolarHBondContact O-N 3.45Å; R11-L20 HydrophobicContact CG-CB 4.36Å; R11-L20 HydrophobicContact CG-CD1 4.47Å; R11-D21 WeakPolarHBondContact CD-O 3.38Å; R11-D21 IonicContact NH1-OD1 3.09Å; R11-D21 PolarHBondContact NH1-OD1 2.99Å; R11-D21 VanDerWaalsContact NH1-OD1 3.09Å; R11-D21 IonicContact NH1-OD2 3.58Å; R11-G24 PolarHBondContact NH1-O 3.05Å; R11-G24 PolarHBondContact NH2-O 3.46Å; R11-G25 WeakPolarHBondContact CB-O 3.36Å; R11-G25 VanDerWaalsContact CD-O 3.27Å; R11-G25 WeakPolarHBondContact CD-O 3.44Å; R11-G25 PolarHBondContact NE-O 3.41Å; R11-V26 PolarHBondContact N-O 2.79Å; R11-F27 PolarHBondContact NE-O 2.82Å; R11-F27 PolarHBondContact NH2-O 3.3Å; R11-A28 HydrophobicContact CB-CB 4.37Å; R11-A28 HydrophobicContact CG-CB 4.45Å
12L95.2Very high92.7Very high153 Ų15392.6 Ų92.680%0.80148%0.476SS*.G310 helixtrans-61.6-27.4175.5-62.9176.9000113.2K10K10-L12 PolarHBondContact O-N 3.25Å
13A95.5Very high94Very high56 Ų5696 Ų9646%0.46348%0.48SS..G310 helixtrans-90.7-3.4178.600000113.3L9 K10 R11L9-A13 HydrophobicContact CD1-CB 4.38Å; K10-A13 HydrophobicContact CB-CB 4.3Å; K10-A13 CarbonylContact O-C 3.58Å; K10-A13 PolarHBondContact O-N 3.39Å; R11-A13 PolarHBondContact O-N 2.92Å
14A95.5Very high94.2Very high11 Ų1186.8 Ų86.89%0.09146%0.46CS..SBendtrans-67.5152.9179.300000111.3L9 K10 R11 K16 W18 L20 A28L9-A14 HydrophobicContact CD2-CB 4.32Å; K10-A14 PolarHBondContact O-N 2.86Å; R11-A14 WeakPolarHBondContact O-CB 3.18Å; R11-A14 PolarHBondContact O-N 3.45Å; A14-K16 PolarHBondContact O-N 2.86Å; A14-W18 HydrophobicContact CB-CE3 3.94Å; A14-W18 HydrophobicContact CB-CZ3 4.04Å; A14-L20 HydrophobicContact CB-CD1 4.11Å; A14-A28 HydrophobicContact CB-CB 3.75Å
15P95.3Very high94.2Very high9 Ų985.7 Ų85.76%0.05845%0.448CS..  trans-53.4125.1173.4-27.636.6000112.2A17 W18 L38 R39P15-A17 PolarHBondContact O-N 3.23Å; P15-A17 VanDerWaalsContact O-N 3.14Å; P15-W18 HydrophobicContact CB-CD2 4.07Å; P15-W18 HydrophobicContact CB-CG 4.22Å; P15-W18 HydrophobicContact CB-CZ2 4.32Å; P15-W18 HydrophobicContact CG-CD2 4.06Å; P15-W18 HydrophobicContact CG-CE3 4.4Å; P15-W18 HydrophobicContact CG-CH2 3.89Å; P15-W18 HydrophobicContact CG-CZ2 3.54Å; P15-W18 HydrophobicContact CG-CZ3 4.34Å; P15-W18 WeakPolarHBondContact O-CB 3.34Å; P15-W18 PolarHBondContact O-N 3.47Å; P15-L38 HydrophobicContact CG-CD2 4.15Å; P15-R39 HydrophobicContact CG-CG 4.31Å
16K93.7Very high94.4Very high203 Ų20385 Ų8588%0.88344%0.442SS*.G310 helixtrans-57.4-29.9178.6-64.5-174.9179.2-179.10112.5A14 W18 M19A14-K16 PolarHBondContact O-N 2.86Å; K16-W18 PolarHBondContact O-N 2.86Å; K16-W18 VanDerWaalsContact O-N 3.14Å; K16-M19 PolarHBondContact O-N 2.79Å
17A92.9Very high94.6Very high23 Ų2382.3 Ų82.319%0.1943%0.43CS..G310 helixtrans-59.7-21.2176.800000113.8P15 M19 R51P15-A17 PolarHBondContact O-N 3.23Å; P15-A17 VanDerWaalsContact O-N 3.14Å; A17-M19 VanDerWaalsContact C-N 3.26Å; A17-M19 PolarHBondContact O-N 3.47Å; A17-R51 PolarHBondContact O-NH2 2.98Å
18W94.5Very high94.8Very high0 Ų075 Ų750%040%0.4CS..G310 helixtrans-75.5-13.9176.4-61.5-9.8000113.4L9 A14 P15 K16 L20 P31 L38 S41 L42 P43 I46 R51L9-W18 HydrophobicContact CD2-CH2 3.91Å; L9-W18 HydrophobicContact CD2-CZ3 3.76Å; A14-W18 HydrophobicContact CB-CE3 3.94Å; A14-W18 HydrophobicContact CB-CZ3 4.04Å; P15-W18 HydrophobicContact CB-CD2 4.07Å; P15-W18 HydrophobicContact CB-CG 4.22Å; P15-W18 HydrophobicContact CB-CZ2 4.32Å; P15-W18 HydrophobicContact CG-CD2 4.06Å; P15-W18 HydrophobicContact CG-CE3 4.4Å; P15-W18 HydrophobicContact CG-CH2 3.89Å; P15-W18 HydrophobicContact CG-CZ2 3.54Å; P15-W18 HydrophobicContact CG-CZ3 4.34Å; P15-W18 WeakPolarHBondContact O-CB 3.34Å; P15-W18 PolarHBondContact O-N 3.47Å; K16-W18 PolarHBondContact O-N 2.86Å; K16-W18 VanDerWaalsContact O-N 3.14Å; W18-L20 HydrophobicContact CB-CG 4.08Å; W18-L20 HydrophobicContact CE3-CD1 4.01Å; W18-L20 PolarHBondContact O-N 2.8Å; W18-P31 HydrophobicContact CH2-CG 3.52Å; W18-P31 HydrophobicContact CZ2-CG 3.74Å; W18-L38 WeakPolarHBondContact CZ2-O 3.44Å; W18-S41 PolarHBondContact NE1-O 3.42Å; W18-L42 HydrophobicContact CG-CD1 4.38Å; W18-P43 HydrophobicContact CH2-CG 4.1Å; W18-P43 HydrophobicContact CZ2-CG 4.13Å; W18-P43 HydrophobicContact CZ3-CG 4.46Å; W18-I46 HydrophobicContact CB-CD1 3.92Å; W18-I46 HydrophobicContact CD2-CD1 3.52Å; W18-I46 HydrophobicContact CE3-CD1 3.33Å; W18-I46 HydrophobicContact CG-CD1 3.79Å; W18-I46 HydrophobicContact CZ3-CD1 4.05Å; W18-R51 VanDerWaalsContact O-CZ 3.32Å; W18-R51 PolarHBondContact O-NH1 2.96Å; W18-R51 PolarHBondContact O-NH2 2.97Å
19M93.2Very high94.8Very high89 Ų8969.5 Ų69.544%0.43838%0.376SS..  trans51.343.7-179-55-170.8-71.100112.2K16 A17 R51 R108K16-M19 PolarHBondContact O-N 2.79Å; A17-M19 VanDerWaalsContact C-N 3.26Å; A17-M19 PolarHBondContact O-N 3.47Å; M19-R51 VanDerWaalsContact CE-CZ 3.43Å; M19-R108 WeakPolarHBondContact SD-CD 3.5Å; M19-R108 HydrophobicContact SD-CG 4.5Å
20L94.3Very high94.9Very high32 Ų3273.1 Ų73.117%0.16839%0.389CS..  trans-75.6135.1170.7-63.8-179.4000108.9R11 A14 W18 A28 I46R11-L20 HydrophobicContact CG-CB 4.36Å; R11-L20 HydrophobicContact CG-CD1 4.47Å; A14-L20 HydrophobicContact CB-CD1 4.11Å; W18-L20 HydrophobicContact CB-CG 4.08Å; W18-L20 HydrophobicContact CE3-CD1 4.01Å; W18-L20 PolarHBondContact O-N 2.8Å; L20-A28 HydrophobicContact CD1-CB 3.59Å; L20-I46 HydrophobicContact CD1-CD1 4.24Å; L20-I46 HydrophobicContact CD2-CD1 4.14Å; L20-I46 HydrophobicContact CG-CD1 4.41Å
21D94.4Very high94.9Very high79 Ų7968.4 Ų68.442%0.42237%0.369SS..  trans-68149.6174.766.1-64.5000110.8R11 L23 G24R11-D21 WeakPolarHBondContact CD-O 3.38Å; R11-D21 IonicContact NH1-OD1 3.09Å; R11-D21 PolarHBondContact NH1-OD1 2.99Å; R11-D21 VanDerWaalsContact NH1-OD1 3.09Å; R11-D21 IonicContact NH1-OD2 3.58Å; D21-L23 PolarHBondContact O-N 3Å; D21-G24 WeakPolarHBondContact OD2-CA 3.1Å; D21-G24 PolarHBondContact OD2-N 3.35Å
22K93.9Very high94.9Very high174 Ų17469.2 Ų69.276%0.75738%0.379SS*.SBendtrans-72-31.6-173-57.9-178.4-159.9171.50113.2
23L95Very high94.9Very high171 Ų17169.2 Ų69.290%0.89539%0.386SS*.SBendtrans-104-12-165.2-64.3177.5000114.7D21 G25D21-L23 PolarHBondContact O-N 3Å; L23-G25 PolarHBondContact O-N 2.79Å
24G90.9Very high94.8Very high48 Ų4868.5 Ų68.550%0.49538%0.384SS..SBendtrans-75.623-176.800000115.1R11 D21R11-G24 PolarHBondContact NH1-O 3.05Å; R11-G24 PolarHBondContact NH2-O 3.46Å; D21-G24 WeakPolarHBondContact OD2-CA 3.1Å; D21-G24 PolarHBondContact OD2-N 3.35Å
25G93.6Very high94.9Very high35 Ų3570 Ų7036%0.36139%0.392SS..  trans133.1158.9174.600000115R11 L23 F27R11-G25 WeakPolarHBondContact CB-O 3.36Å; R11-G25 VanDerWaalsContact CD-O 3.27Å; R11-G25 WeakPolarHBondContact CD-O 3.44Å; R11-G25 PolarHBondContact NE-O 3.41Å; L23-G25 PolarHBondContact O-N 2.79Å; G25-F27 PolarHBondContact O-N 3.44Å
26V96.6Very high94.9Very high95 Ų9570.3 Ų70.358%0.57639%0.393SS*.SBendtrans-70.8-31.1-176.3179.50000112.8K10 R11K10-V26 HydrophobicContact CD-CG1 3.97Å; R11-V26 PolarHBondContact N-O 2.79Å
27F96.6Very high95Very high99 Ų9966.6 Ų66.643%0.43438%0.377SS..EExtended strand (participates in β ladder)trans-110.9153.7-173.1-62-80000112.5H8 K10 R11 G25H8-F27 HydrophobicContact CB-CD1 4.31Å; H8-F27 HydrophobicContact CB-CE1 4.08Å; K10-F27 HydrophobicContact CD-CD1 4.05Å; K10-F27 HydrophobicContact CD-CE1 3.85Å; R11-F27 PolarHBondContact NE-O 2.82Å; R11-F27 PolarHBondContact NH2-O 3.3Å; G25-F27 PolarHBondContact O-N 3.44Å
28A96.3Very high95.1Very high9 Ų967.9 Ų67.97%0.07438%0.38CS..EExtended strand (participates in β ladder)trans-115151.9167.600000109.2L9 R11 A14 L20 R30L9-A28 HydrophobicContact CD2-CB 4.38Å; L9-A28 HydrophobicContact CG-CB 4.44Å; L9-A28 PolarHBondContact O-N 3.18Å; R11-A28 HydrophobicContact CB-CB 4.37Å; R11-A28 HydrophobicContact CG-CB 4.45Å; A14-A28 HydrophobicContact CB-CB 3.75Å; L20-A28 HydrophobicContact CD1-CB 3.59Å; A28-R30 PolarHBondContact O-N 3Å; A28-R30 VanDerWaalsContact O-N 3.12Å
29P95.9Very high95.1Very high21 Ų2176.5 Ų76.514%0.13641%0.413CS..PPolyproline II helixtrans-59119.8172.927.3-35.8000108.9P43 L45 I46 T81P29-P43 HydrophobicContact CG-CG 4.49Å; P29-L45 HydrophobicContact CB-CD2 4.29Å; P29-L45 HydrophobicContact CG-CD2 4.02Å; P29-I46 HydrophobicContact CG-CD1 3.81Å; P29-I46 HydrophobicContact CG-CG1 3.68Å; P29-T81 HydrophobicContact CB-CG2 4.17Å
30R96.1Very high95.1Very high93 Ų9376 Ų7635%0.35141%0.41SS..PPolyproline II helixtrans-80.8122.7173.8-174.2178.7178.984.42.8107.7K6 K7 L9 A28 L38 T81K6-R30 PolarHBondContact O-NE 3.01Å; K7-R30 WeakPolarHBondContact O-CD 3.32Å; L9-R30 HydrophobicContact CB-CB 3.77Å; L9-R30 HydrophobicContact CB-CG 4.08Å; A28-R30 PolarHBondContact O-N 3Å; A28-R30 VanDerWaalsContact O-N 3.12Å; R30-L38 HydrophobicContact CG-CD1 4.46Å; R30-T81 WeakPolarHBondContact O-CB 3.4Å
31P97.2Very high95.1Very high9 Ų974.5 Ų74.56%0.05840%0.402CS..PPolyproline II helixtrans-63.3141.1176.7-10.520.5000110.4W18 L38 P43 T81 P83W18-P31 HydrophobicContact CH2-CG 3.52Å; W18-P31 HydrophobicContact CZ2-CG 3.74Å; P31-L38 HydrophobicContact CG-CG 4.05Å; P31-P43 HydrophobicContact CB-CG 4.17Å; P31-P43 HydrophobicContact CG-CG 3.81Å; P31-T81 WeakPolarHBondContact CA-O 3.47Å; P31-P83 HydrophobicContact CB-CB 3.97Å
32S96.2Very high95.2Very high45 Ų4570.8 Ų70.832%0.31538%0.382SS..PPolyproline II helixtrans-60.5157.5169.1-66.10000111G34 D79 T81 P83S32-G34 VanDerWaalsContact C-N 3.32Å; S32-G34 PolarHBondContact O-N 2.88Å; S32-D79 VanDerWaalsContact CB-OD2 3.23Å; S32-D79 WeakPolarHBondContact CB-OD2 3.42Å; S32-D79 PolarHBondContact OG-OD2 3.33Å; S32-T81 PolarHBondContact N-O 2.98Å; S32-T81 PolarHBondContact OG-OG1 3.13Å; S32-P83 WeakPolarHBondContact O-CG 3.36Å
33T95.2Very high95.3Very high153 Ų15362.5 Ų62.594%0.93935%0.346SS*.SBendtrans-76.885.4173.350.50000109.6
34G94.5Very high95.4Very high40 Ų4054.3 Ų54.341%0.41230%0.303SS..SBendtrans-118.3-149-177.300000113.2S32 H36S32-G34 VanDerWaalsContact C-N 3.32Å; S32-G34 PolarHBondContact O-N 2.88Å; G34-H36 VanDerWaalsContact C-N 3.33Å; G34-H36 PolarHBondContact O-N 3.18Å
35P95.9Very high95.7Very high43 Ų4353 Ų5328%0.27929%0.285SS..SBendtrans-57.3-39.5-175.2-29.837.4000115Y82 D143P35-Y82 HydrophobicContact CG-CE2 4.48Å; P35-Y82 VanDerWaalsContact CG-OH 3.24Å; P35-Y82 WeakPolarHBondContact CG-OH 3.42Å; P35-D143 HydrophobicContact CB-CB 4.38Å; P35-D143 VanDerWaalsContact CB-O 3.27Å; P35-D143 WeakPolarHBondContact CB-O 3.48Å
36H96.9Very high95.8Very high16 Ų1651.4 Ų51.47%0.07427%0.268CS..SBendtrans-112.5152-170.6-65.1-82.1000112.1G34 P83 G85 D88 H142G34-H36 VanDerWaalsContact C-N 3.33Å; G34-H36 PolarHBondContact O-N 3.18Å; H36-P83 PolarHBondContact CD2-O 3.09Å; H36-G85 WeakPolarHBondContact CD2-CA 3.35Å; H36-G85 PolarHBondContact CD2-N 2.73Å; H36-D88 IonicContact CD2-OD1 2.83Å; H36-D88 IonicContact CD2-OD2 2.84Å; H36-D88 PolarHBondContact CD2-OD2 3.15Å; H36-D88 IonicContact CE1-OD1 3.83Å; H36-D88 VanDerWaalsContact NE2-CG 3.27Å; H36-D88 IonicContact NE2-OD1 2.95Å; H36-D88 PolarHBondContact NE2-OD1 2.88Å; H36-D88 IonicContact NE2-OD2 3.5Å; H36-D88 PolarHBondContact NE2-OD2 3.02Å; H36-D88 VanDerWaalsContact NE2-OD2 3.11Å; H36-H142 AromaticContact CE1-NE2 3.9Å
37K95.2Very high95.8Very high125 Ų12546.9 Ų46.954%0.54324%0.24SC..  trans-69.1149.4177.9-56.7-176.2-150.9132.30110.9R39 E40 S41K37-R39 VanDerWaalsContact C-N 3.26Å; K37-R39 PolarHBondContact O-N 3Å; K37-E40 HydrophobicContact CB-CB 4.27Å; K37-E40 HydrophobicContact CB-CG 4.5Å; K37-E40 WeakPolarHBondContact CD-OE2 3.23Å; K37-E40 WeakPolarHBondContact CE-OE2 3.37Å; K37-E40 VanDerWaalsContact NZ-CD 3.28Å; K37-E40 IonicContact NZ-OE1 3.11Å; K37-E40 PolarHBondContact NZ-OE1 3.09Å; K37-E40 IonicContact NZ-OE2 3.8Å; K37-E40 PolarHBondContact NZ-OE2 2.8Å; K37-E40 CarbonylContact O-C 3.55Å; K37-E40 WeakPolarHBondContact O-CA 3.16Å; K37-E40 PolarHBondContact O-N 3.04Å; K37-S41 WeakPolarHBondContact O-CB 3.41Å; K37-S41 PolarHBondContact O-N 3Å; K37-S41 VanDerWaalsContact O-N 3.12Å; K37-S41 PolarHBondContact O-OG 3.04Å
38L94.9Very high95.7Very high50 Ų5042.2 Ų42.226%0.26222%0.22SC..THydrogen-bonded Turntrans-49.2-38.5-178.2-179.2150.1000115.2P15 W18 R30 P31 S41P15-L38 HydrophobicContact CG-CD2 4.15Å; W18-L38 WeakPolarHBondContact CZ2-O 3.44Å; R30-L38 HydrophobicContact CG-CD1 4.46Å; P31-L38 HydrophobicContact CG-CG 4.05Å; L38-S41 PolarHBondContact O-OG 3Å
39R94Very high95.7Very high180 Ų18044.2 Ų44.268%0.67923%0.225SC*.THydrogen-bonded Turntrans-88.3-13.8-179.7-65.8-174.7179.5-87.91.8113.6P15 K37P15-R39 HydrophobicContact CG-CG 4.31Å; K37-R39 VanDerWaalsContact C-N 3.26Å; K37-R39 PolarHBondContact O-N 3Å
40E93.3Very high95.7Very high79 Ų7945.4 Ų45.437%0.36923%0.231SC..SBendtrans-110.821-178.2-62.4167.8-173.300110.7K37 F109K37-E40 HydrophobicContact CB-CB 4.27Å; K37-E40 HydrophobicContact CB-CG 4.5Å; K37-E40 WeakPolarHBondContact CD-OE2 3.23Å; K37-E40 WeakPolarHBondContact CE-OE2 3.37Å; K37-E40 VanDerWaalsContact NZ-CD 3.28Å; K37-E40 IonicContact NZ-OE1 3.11Å; K37-E40 PolarHBondContact NZ-OE1 3.09Å; K37-E40 IonicContact NZ-OE2 3.8Å; K37-E40 PolarHBondContact NZ-OE2 2.8Å; K37-E40 CarbonylContact O-C 3.55Å; K37-E40 WeakPolarHBondContact O-CA 3.16Å; K37-E40 PolarHBondContact O-N 3.04Å; E40-F109 WeakPolarHBondContact O-CZ 3.48Å
41S95.3Very high95.6Very high0 Ų043.4 Ų43.40%022%0.223CC..EExtended strand (participates in β ladder)trans-135.7160.7-178.671.40000111.8W18 K37 L38 A84W18-S41 PolarHBondContact NE1-O 3.42Å; K37-S41 WeakPolarHBondContact O-CB 3.41Å; K37-S41 PolarHBondContact O-N 3Å; K37-S41 VanDerWaalsContact O-N 3.12Å; K37-S41 PolarHBondContact O-OG 3.04Å; L38-S41 PolarHBondContact O-OG 3Å; S41-A84 CarbonylContact C-O 3.59Å; S41-A84 WeakPolarHBondContact CA-O 3.18Å
42L95.2Very high95.4Very high1 Ų144.5 Ų44.51%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-123.3114.3173.7-173.872.9000108.6W18 I46 F47 A84 L101 F109W18-L42 HydrophobicContact CG-CD1 4.38Å; L42-I46 HydrophobicContact CD1-CB 3.98Å; L42-I46 HydrophobicContact CD1-CG2 3.68Å; L42-I46 HydrophobicContact CG-CB 4.47Å; L42-F47 HydrophobicContact CD2-CB 4.06Å; L42-F47 HydrophobicContact CD2-CD2 4.13Å; L42-A84 PolarHBondContact N-O 2.81Å; L42-A84 PolarHBondContact O-N 3.38Å; L42-L101 HydrophobicContact CB-CD1 4.48Å; L42-L101 HydrophobicContact CD2-CD2 4.13Å; L42-F109 HydrophobicContact CB-CD2 4.03Å; L42-F109 HydrophobicContact CB-CE2 4.43Å; L42-F109 HydrophobicContact CB-CG 4.31Å; L42-F109 HydrophobicContact CD2-CB 4.25Å
43P97.2Very high95.4Very high0 Ų050 Ų500%025%0.247CC..EExtended strand (participates in β ladder)trans-56.8140.5172.6-26.134000112.4W18 P29 P31 L45 I46 F47 Y82W18-P43 HydrophobicContact CH2-CG 4.1Å; W18-P43 HydrophobicContact CZ2-CG 4.13Å; W18-P43 HydrophobicContact CZ3-CG 4.46Å; P29-P43 HydrophobicContact CG-CG 4.49Å; P31-P43 HydrophobicContact CB-CG 4.17Å; P31-P43 HydrophobicContact CG-CG 3.81Å; P43-L45 PolarHBondContact O-N 2.82Å; P43-L45 VanDerWaalsContact O-N 3.13Å; P43-I46 HydrophobicContact CB-CG1 4.22Å; P43-I46 HydrophobicContact CG-CD1 4.1Å; P43-I46 HydrophobicContact CG-CG1 4.31Å; P43-I46 PolarHBondContact O-N 3.36Å; P43-F47 PolarHBondContact O-N 2.89Å; P43-F47 VanDerWaalsContact O-N 3.08Å; P43-Y82 WeakPolarHBondContact CA-O 3.23Å
44L96.6Very high95.3Very high0 Ų047.5 Ų47.50%022%0.221CC..Hα-helixtrans-54.2-32.8175.4-74.1-179.1000113I46 F47 L48 V70 V72 R77 P80 Y82 A84 I90L44-I46 VanDerWaalsContact C-N 3.34Å; L44-I46 PolarHBondContact O-N 2.74Å; L44-F47 WeakPolarHBondContact O-CB 3.48Å; L44-F47 PolarHBondContact O-N 3.44Å; L44-L48 WeakPolarHBondContact O-CG 3.4Å; L44-L48 PolarHBondContact O-N 2.97Å; L44-V70 HydrophobicContact CD1-CG1 4.38Å; L44-V70 HydrophobicContact CD2-CG1 4.35Å; L44-V72 HydrophobicContact CD1-CG2 4.11Å; L44-V72 HydrophobicContact CD2-CG2 3.9Å; L44-R77 HydrophobicContact CD1-CB 3.92Å; L44-P80 CarbonylContact C-O 3.57Å; L44-P80 PolarHBondContact N-O 2.65Å; L44-Y82 HydrophobicContact CD1-CD1 4.33Å; L44-Y82 HydrophobicContact CD1-CG 4.41Å; L44-Y82 HydrophobicContact CG-CD1 4.49Å; L44-Y82 PolarHBondContact N-O 3.2Å; L44-A84 HydrophobicContact CD2-CB 4.36Å; L44-I90 HydrophobicContact CD2-CD1 4.23Å
45L96.7Very high95.4Very high21 Ų2145.8 Ų45.811%0.1120%0.202CC..Hα-helixtrans-59.9-42.4173.9-172.9150.3000112.6P29 P43 R49 V61 P80P29-L45 HydrophobicContact CB-CD2 4.29Å; P29-L45 HydrophobicContact CG-CD2 4.02Å; P43-L45 PolarHBondContact O-N 2.82Å; P43-L45 VanDerWaalsContact O-N 3.13Å; L45-R49 WeakPolarHBondContact O-CB 3.34Å; L45-R49 PolarHBondContact O-N 3.05Å; L45-V61 HydrophobicContact CB-CG1 3.98Å; L45-V61 HydrophobicContact CD1-CG1 4.45Å; L45-V61 HydrophobicContact CG-CB 4.34Å; L45-V61 HydrophobicContact CG-CG1 4.07Å; L45-V61 HydrophobicContact CG-CG2 4.2Å; L45-P80 WeakPolarHBondContact CB-O 3.1Å; L45-P80 PolarHBondContact N-O 2.92Å
46I96Very high95.3Very high0 Ų050.7 Ų50.70%023%0.225CC..Hα-helixtrans-71.8-37.9177.5-57-173.4000110W18 L20 P29 L42 P43 L44 N50 R51W18-I46 HydrophobicContact CB-CD1 3.92Å; W18-I46 HydrophobicContact CD2-CD1 3.52Å; W18-I46 HydrophobicContact CE3-CD1 3.33Å; W18-I46 HydrophobicContact CG-CD1 3.79Å; W18-I46 HydrophobicContact CZ3-CD1 4.05Å; L20-I46 HydrophobicContact CD1-CD1 4.24Å; L20-I46 HydrophobicContact CD2-CD1 4.14Å; L20-I46 HydrophobicContact CG-CD1 4.41Å; P29-I46 HydrophobicContact CG-CD1 3.81Å; P29-I46 HydrophobicContact CG-CG1 3.68Å; L42-I46 HydrophobicContact CD1-CB 3.98Å; L42-I46 HydrophobicContact CD1-CG2 3.68Å; L42-I46 HydrophobicContact CG-CB 4.47Å; P43-I46 HydrophobicContact CB-CG1 4.22Å; P43-I46 HydrophobicContact CG-CD1 4.1Å; P43-I46 HydrophobicContact CG-CG1 4.31Å; P43-I46 PolarHBondContact O-N 3.36Å; L44-I46 VanDerWaalsContact C-N 3.34Å; L44-I46 PolarHBondContact O-N 2.74Å; I46-N50 HydrophobicContact CG2-CB 4.01Å; I46-N50 WeakPolarHBondContact O-CB 3.42Å; I46-N50 PolarHBondContact O-N 3.44Å; I46-R51 PolarHBondContact O-N 2.87Å
47F96.2Very high95.3Very high1 Ų153.2 Ų53.20%0.00424%0.239CC..Iπ-helixtrans-59.3-53.8176.5179.1-95.4000111.9L42 P43 L44 R51 L52 I90 F99 L101 I111L42-F47 HydrophobicContact CD2-CB 4.06Å; L42-F47 HydrophobicContact CD2-CD2 4.13Å; P43-F47 PolarHBondContact O-N 2.89Å; P43-F47 VanDerWaalsContact O-N 3.08Å; L44-F47 WeakPolarHBondContact O-CB 3.48Å; L44-F47 PolarHBondContact O-N 3.44Å; F47-R51 WeakPolarHBondContact O-CB 3.31Å; F47-R51 PolarHBondContact O-N 3.25Å; F47-L52 HydrophobicContact CD1-CD1 4.04Å; F47-L52 HydrophobicContact CE1-CD1 3.34Å; F47-L52 HydrophobicContact CE1-CG 4.19Å; F47-L52 HydrophobicContact CZ-CD1 3.67Å; F47-L52 HydrophobicContact CZ-CG 4.27Å; F47-L52 PolarHBondContact O-N 3Å; F47-I90 HydrophobicContact CD1-CD1 4.17Å; F47-I90 HydrophobicContact CD1-CG2 4.47Å; F47-I90 HydrophobicContact CD2-CD1 3.76Å; F47-I90 HydrophobicContact CE1-CB 4.39Å; F47-I90 HydrophobicContact CE1-CD1 4.03Å; F47-I90 HydrophobicContact CE1-CG2 3.71Å; F47-I90 HydrophobicContact CE2-CD1 3.57Å; F47-I90 HydrophobicContact CG-CD1 4.05Å; F47-I90 HydrophobicContact CZ-CB 4.07Å; F47-I90 HydrophobicContact CZ-CD1 3.73Å; F47-I90 HydrophobicContact CZ-CG1 4.5Å; F47-I90 HydrophobicContact CZ-CG2 3.88Å; F47-F99 HydrophobicContact CE2-CB 4.5Å; F47-F99 HydrophobicContact CZ-CB 4.16Å; F47-F99 AromaticContact CZ-CD2 3.85Å; F47-F99 HydrophobicContact CZ-CD2 3.85Å; F47-F99 HydrophobicContact CZ-CE2 4.48Å; F47-F99 HydrophobicContact CZ-CG 4.1Å; F47-L101 HydrophobicContact CD2-CD2 3.96Å; F47-L101 HydrophobicContact CE2-CD2 3.96Å; F47-I111 HydrophobicContact CD2-CD1 3.42Å; F47-I111 VanDerWaalsContact CD2-CD1 3.42Å; F47-I111 HydrophobicContact CD2-CG1 3.85Å; F47-I111 HydrophobicContact CE2-CB 4.32Å; F47-I111 HydrophobicContact CE2-CD1 3.26Å; F47-I111 HydrophobicContact CE2-CG1 3.57Å; F47-I111 HydrophobicContact CE2-CG2 3.9Å; F47-I111 HydrophobicContact CG-CD1 4.26Å; F47-I111 HydrophobicContact CZ-CD1 3.98Å; F47-I111 HydrophobicContact CZ-CG2 4.24Å
48L96.1Very high95.2Very high0 Ų048.5 Ų48.50%023%0.226CC..Iπ-helixtrans-71.3-43.9-177.2-67.7171.2000112.8L44 L52 K53 Y54 V61 I64 V65 V70 L92L44-L48 WeakPolarHBondContact O-CG 3.4Å; L44-L48 PolarHBondContact O-N 2.97Å; L48-L52 HydrophobicContact CD2-CD1 4.48Å; L48-K53 PolarHBondContact O-N 2.79Å; L48-Y54 PolarHBondContact O-N 3.09Å; L48-V61 HydrophobicContact CB-CG2 4.13Å; L48-V61 HydrophobicContact CD1-CG1 4.07Å; L48-I64 HydrophobicContact CD1-CG2 4.2Å; L48-V65 HydrophobicContact CD1-CG2 3.65Å; L48-V70 HydrophobicContact CD1-CG2 4.23Å; L48-L92 HydrophobicContact CD2-CD2 4.48Å
49R96Very high95.3Very high52 Ų5249 Ų4920%0.19624%0.238CC..Iπ-helixtrans-82-53.2-174.8-171.7-169.565.21781.1113.5L45 K53 A55 V61L45-R49 WeakPolarHBondContact O-CB 3.34Å; L45-R49 PolarHBondContact O-N 3.05Å; R49-K53 WeakPolarHBondContact O-CA 3.48Å; R49-A55 WeakPolarHBondContact CA-O 3.45Å; R49-A55 WeakPolarHBondContact CG-O 3.3Å; R49-V61 HydrophobicContact CB-CG2 4Å
50N94.7Very high95.4Very high46 Ų4643 Ų4325%0.24622%0.218CC..Iπ-helixtrans-90.3-25.5-168.9-70.683.4000113.5I46I46-N50 HydrophobicContact CG2-CB 4.01Å; I46-N50 WeakPolarHBondContact O-CB 3.42Å; I46-N50 PolarHBondContact O-N 3.44Å
51R94.2Very high95.6Very high51 Ų5139.3 Ų39.319%0.19220%0.2CC..Iπ-helixtrans-103-56.9-175.3-61.9-68.9-171.6-82.8-3.2112.1A17 W18 M19 I46 F47 I111A17-R51 PolarHBondContact O-NH2 2.98Å; W18-R51 VanDerWaalsContact O-CZ 3.32Å; W18-R51 PolarHBondContact O-NH1 2.96Å; W18-R51 PolarHBondContact O-NH2 2.97Å; M19-R51 VanDerWaalsContact CE-CZ 3.43Å; I46-R51 PolarHBondContact O-N 2.87Å; F47-R51 WeakPolarHBondContact O-CB 3.31Å; F47-R51 PolarHBondContact O-N 3.25Å; R51-I111 HydrophobicContact CB-CD1 3.22Å; R51-I111 HydrophobicContact CB-CG1 4.07Å; R51-I111 HydrophobicContact CG-CD1 4.07Å; R51-I111 HydrophobicContact CG-CG1 4.5Å
52L94.4Very high95.7Very high31 Ų3142 Ų4216%0.16222%0.217CC..Iπ-helixtrans-79.7-26177-68.7-177.9000113.3F47 L48 Y54 L92 F99 I111F47-L52 HydrophobicContact CD1-CD1 4.04Å; F47-L52 HydrophobicContact CE1-CD1 3.34Å; F47-L52 HydrophobicContact CE1-CG 4.19Å; F47-L52 HydrophobicContact CZ-CD1 3.67Å; F47-L52 HydrophobicContact CZ-CG 4.27Å; F47-L52 PolarHBondContact O-N 3Å; L48-L52 HydrophobicContact CD2-CD1 4.48Å; L52-Y54 HydrophobicContact CB-CD1 4.27Å; L52-Y54 HydrophobicContact CB-CD2 4.08Å; L52-Y54 HydrophobicContact CB-CE1 4.41Å; L52-Y54 HydrophobicContact CB-CE2 4.25Å; L52-Y54 HydrophobicContact CB-CG 4.09Å; L52-Y54 HydrophobicContact CD1-CD2 3.98Å; L52-Y54 HydrophobicContact CD1-CE2 3.79Å; L52-Y54 PolarHBondContact O-N 2.92Å; L52-L92 HydrophobicContact CD1-CD1 3.92Å; L52-F99 HydrophobicContact CD1-CE2 3.96Å; L52-F99 HydrophobicContact CD1-CZ 4.17Å; L52-F99 HydrophobicContact CD2-CE1 4.07Å; L52-F99 HydrophobicContact CD2-CE2 4.4Å; L52-F99 HydrophobicContact CD2-CZ 3.81Å; L52-I111 HydrophobicContact CD2-CD1 3.83Å; L52-I111 HydrophobicContact CD2-CG2 4.15Å; L52-I111 HydrophobicContact CG-CD1 3.76Å
53K94.4Very high95.7Very high162 Ų16248.8 Ų48.870%0.70425%0.246SC*.  trans59.230.7-176.5-53.6-178.7177.6-177.90113.8L48 R49 A55L48-K53 PolarHBondContact O-N 2.79Å; R49-K53 WeakPolarHBondContact O-CA 3.48Å; K53-A55 VanDerWaalsContact C-N 3.28Å
54Y94.3Very high95.7Very high100 Ų10050.5 Ų50.539%0.39226%0.255SS..SBendtrans-76.8-18.7172-66.9-14.1000112.9L48 L52 L92 E97L48-Y54 PolarHBondContact O-N 3.09Å; L52-Y54 HydrophobicContact CB-CD1 4.27Å; L52-Y54 HydrophobicContact CB-CD2 4.08Å; L52-Y54 HydrophobicContact CB-CE1 4.41Å; L52-Y54 HydrophobicContact CB-CE2 4.25Å; L52-Y54 HydrophobicContact CB-CG 4.09Å; L52-Y54 HydrophobicContact CD1-CD2 3.98Å; L52-Y54 HydrophobicContact CD1-CE2 3.79Å; L52-Y54 PolarHBondContact O-N 2.92Å; Y54-L92 HydrophobicContact CD2-CD1 3.91Å; Y54-L92 HydrophobicContact CE2-CD1 3.47Å; Y54-L92 VanDerWaalsContact CE2-CD1 3.47Å; Y54-E97 PolarHBondContact OH-OE2 3.26Å
55A95.2Very high95.7Very high3 Ų350.5 Ų50.53%0.02526%0.255CS..  trans-124.2142.8171.700000109.5R49 K53 E60 V61 I64R49-A55 WeakPolarHBondContact CA-O 3.45Å; R49-A55 WeakPolarHBondContact CG-O 3.3Å; K53-A55 VanDerWaalsContact C-N 3.28Å; A55-E60 HydrophobicContact CB-CB 3.77Å; A55-V61 HydrophobicContact CB-CB 4.46Å; A55-V61 HydrophobicContact CB-CG2 3.47Å; A55-V61 VanDerWaalsContact CB-CG2 3.47Å; A55-I64 HydrophobicContact CB-CD1 4.03Å
56L95.7Very high95.7Very high147 Ų14754.8 Ų54.877%0.7728%0.276SS*.SBendtrans-84.8-37.7174.3-58.6176.1000111.1E60L56-E60 WeakPolarHBondContact CB-OE2 3.49Å; L56-E60 PolarHBondContact N-OE2 2.82Å
57N95.2Very high95.6Very high68 Ų6860.6 Ų60.636%0.36430%0.303SS..SBendtrans-133.7175.4-174.76250.8000112.7A59 E60 V61N57-A59 VanDerWaalsContact C-N 3.34Å; N57-A59 PolarHBondContact O-N 3.29Å; N57-A59 WeakPolarHBondContact OD1-CB 3.44Å; N57-A59 PolarHBondContact OD1-N 2.96Å; N57-E60 PolarHBondContact ND2-OE1 2.93Å; N57-E60 WeakPolarHBondContact OD1-CG 3.3Å; N57-E60 PolarHBondContact OD1-N 2.83Å; N57-V61 PolarHBondContact O-N 2.88Å
58G94.3Very high95.6Very high26 Ų2668.6 Ų68.627%0.26833%0.333SS..Hα-helixtrans-67.9-30.3-179.900000114V61 T62G58-V61 PolarHBondContact O-N 2.94Å; G58-T62 PolarHBondContact O-N 3.16Å; G58-T62 VanDerWaalsContact O-N 3.12Å; G58-T62 PolarHBondContact O-OG1 2.94Å
59A96.4Very high95.6Very high62 Ų6270.8 Ų70.851%0.51234%0.344SS..Hα-helixtrans-68.3-40.7179.400000111.5N57 T62 K63N57-A59 VanDerWaalsContact C-N 3.34Å; N57-A59 PolarHBondContact O-N 3.29Å; N57-A59 WeakPolarHBondContact OD1-CB 3.44Å; N57-A59 PolarHBondContact OD1-N 2.96Å; A59-T62 WeakPolarHBondContact O-CB 3.4Å; A59-T62 PolarHBondContact O-N 2.75Å; A59-K63 WeakPolarHBondContact O-CG 3.26Å; A59-K63 PolarHBondContact O-N 3.02Å
60E96.9Very high95.6Very high54 Ų5468.3 Ų68.325%0.25234%0.335SS..Hα-helixtrans-64.2-40.1174.5-75.6164.8-144.300112.5A55 L56 N57 T62 K63 I64A55-E60 HydrophobicContact CB-CB 3.77Å; L56-E60 WeakPolarHBondContact CB-OE2 3.49Å; L56-E60 PolarHBondContact N-OE2 2.82Å; N57-E60 PolarHBondContact ND2-OE1 2.93Å; N57-E60 WeakPolarHBondContact OD1-CG 3.3Å; N57-E60 PolarHBondContact OD1-N 2.83Å; E60-T62 VanDerWaalsContact C-N 3.29Å; E60-T62 PolarHBondContact O-N 2.89Å; E60-K63 WeakPolarHBondContact O-CB 3.29Å; E60-K63 PolarHBondContact O-N 3.27Å; E60-K63 VanDerWaalsContact O-N 3.14Å; E60-I64 WeakPolarHBondContact O-CG1 3.45Å; E60-I64 PolarHBondContact O-N 3.41Å
61V96.8Very high95.7Very high0 Ų068.6 Ų68.60%033%0.334CS..Hα-helixtrans-56.3-47.8171.5170.90000110.2L45 L48 R49 A55 N57 G58 K63 I64 V65 P80L45-V61 HydrophobicContact CB-CG1 3.98Å; L45-V61 HydrophobicContact CD1-CG1 4.45Å; L45-V61 HydrophobicContact CG-CB 4.34Å; L45-V61 HydrophobicContact CG-CG1 4.07Å; L45-V61 HydrophobicContact CG-CG2 4.2Å; L48-V61 HydrophobicContact CB-CG2 4.13Å; L48-V61 HydrophobicContact CD1-CG1 4.07Å; R49-V61 HydrophobicContact CB-CG2 4Å; A55-V61 HydrophobicContact CB-CB 4.46Å; A55-V61 HydrophobicContact CB-CG2 3.47Å; A55-V61 VanDerWaalsContact CB-CG2 3.47Å; N57-V61 PolarHBondContact O-N 2.88Å; G58-V61 PolarHBondContact O-N 2.94Å; V61-K63 VanDerWaalsContact C-N 3.29Å; V61-K63 PolarHBondContact O-N 2.97Å; V61-I64 PolarHBondContact O-N 2.93Å; V61-V65 HydrophobicContact CG1-CG2 4.16Å; V61-V65 VanDerWaalsContact O-CB 3.31Å; V61-V65 WeakPolarHBondContact O-CB 3.24Å; V61-V65 VanDerWaalsContact O-CG2 3.27Å; V61-V65 WeakPolarHBondContact O-CG2 3.45Å; V61-V65 PolarHBondContact O-N 2.83Å; V61-P80 HydrophobicContact CG1-CB 4.08Å
62T96.7Very high95.9Very high56 Ų5666.2 Ų66.234%0.34433%0.325SS..Hα-helixtrans-58.9-42.2177.6-56.70000111.1G58 A59 E60 V65 M66G58-T62 PolarHBondContact O-N 3.16Å; G58-T62 VanDerWaalsContact O-N 3.12Å; G58-T62 PolarHBondContact O-OG1 2.94Å; A59-T62 WeakPolarHBondContact O-CB 3.4Å; A59-T62 PolarHBondContact O-N 2.75Å; E60-T62 VanDerWaalsContact C-N 3.29Å; E60-T62 PolarHBondContact O-N 2.89Å; T62-V65 PolarHBondContact O-N 3.38Å; T62-M66 HydrophobicContact CG2-CE 4.36Å; T62-M66 HydrophobicContact CG2-CG 4.06Å; T62-M66 VanDerWaalsContact O-CB 3.26Å; T62-M66 WeakPolarHBondContact O-CB 3.41Å; T62-M66 WeakPolarHBondContact O-CG 3.18Å; T62-M66 PolarHBondContact O-N 3.19Å
63K96.7Very high96Very high144 Ų14465 Ų6563%0.62632%0.319SS*.Hα-helixtrans-59.6-49.3175.6-68175.8-177.1-1790112A59 E60 V61 V65 M66 Q67A59-K63 WeakPolarHBondContact O-CG 3.26Å; A59-K63 PolarHBondContact O-N 3.02Å; E60-K63 WeakPolarHBondContact O-CB 3.29Å; E60-K63 PolarHBondContact O-N 3.27Å; E60-K63 VanDerWaalsContact O-N 3.14Å; V61-K63 VanDerWaalsContact C-N 3.29Å; V61-K63 PolarHBondContact O-N 2.97Å; K63-V65 VanDerWaalsContact C-N 3.35Å; K63-V65 PolarHBondContact O-N 3.4Å; K63-M66 PolarHBondContact O-N 3.26Å; K63-Q67 WeakPolarHBondContact O-CG 3.47Å; K63-Q67 PolarHBondContact O-N 3.43Å; K63-Q67 VanDerWaalsContact O-N 3.15Å
64I96.1Very high96Very high36 Ų3659.3 Ų59.319%0.18531%0.306CS..Hα-helixtrans-59.8-47179.6-66.6167.4000111L48 A55 E60 V61 Q67 V70L48-I64 HydrophobicContact CD1-CG2 4.2Å; A55-I64 HydrophobicContact CB-CD1 4.03Å; E60-I64 WeakPolarHBondContact O-CG1 3.45Å; E60-I64 PolarHBondContact O-N 3.41Å; V61-I64 PolarHBondContact O-N 2.93Å; I64-Q67 PolarHBondContact O-N 2.97Å; I64-V70 HydrophobicContact CG2-CG2 3.94Å
65V96.1Very high96.1Very high0 Ų060.5 Ų60.50%031%0.314CS..Hα-helixtrans-70.1-35.6-175.51690000111.3L48 V61 T62 K63 Q67 R68 V70 R77 T78L48-V65 HydrophobicContact CD1-CG2 3.65Å; V61-V65 HydrophobicContact CG1-CG2 4.16Å; V61-V65 VanDerWaalsContact O-CB 3.31Å; V61-V65 WeakPolarHBondContact O-CB 3.24Å; V61-V65 VanDerWaalsContact O-CG2 3.27Å; V61-V65 WeakPolarHBondContact O-CG2 3.45Å; V61-V65 PolarHBondContact O-N 2.83Å; T62-V65 PolarHBondContact O-N 3.38Å; K63-V65 VanDerWaalsContact C-N 3.35Å; K63-V65 PolarHBondContact O-N 3.4Å; V65-Q67 VanDerWaalsContact C-N 3.34Å; V65-R68 PolarHBondContact O-N 3.25Å; V65-R68 VanDerWaalsContact O-N 3.14Å; V65-V70 HydrophobicContact CG2-CG2 4.32Å; V65-R77 WeakPolarHBondContact CG1-O 3.45Å; V65-T78 WeakPolarHBondContact CG1-O 3.3Å
66M96.5Very high96.2Very high111 Ų11163.1 Ų63.155%0.54733%0.329SS..Hα-helixtrans-72.6-23.8176.3-70.6-63.2167.500113.6T62 K63 R68 T78T62-M66 HydrophobicContact CG2-CE 4.36Å; T62-M66 HydrophobicContact CG2-CG 4.06Å; T62-M66 VanDerWaalsContact O-CB 3.26Å; T62-M66 WeakPolarHBondContact O-CB 3.41Å; T62-M66 WeakPolarHBondContact O-CG 3.18Å; T62-M66 PolarHBondContact O-N 3.19Å; K63-M66 PolarHBondContact O-N 3.26Å; M66-R68 PolarHBondContact O-N 3.21Å; M66-R68 VanDerWaalsContact O-N 3.14Å; M66-T78 WeakPolarHBondContact CE-O 3.2Å
67Q95.9Very high96.2Very high123 Ų12359.7 Ų59.758%0.57531%0.306SS*.THydrogen-bonded Turntrans-69.60.1168.9-71.3175.6-11.900113.3K63 I64 V65 L69K63-Q67 WeakPolarHBondContact O-CG 3.47Å; K63-Q67 PolarHBondContact O-N 3.43Å; K63-Q67 VanDerWaalsContact O-N 3.15Å; I64-Q67 PolarHBondContact O-N 2.97Å; V65-Q67 VanDerWaalsContact C-N 3.34Å; Q67-L69 HydrophobicContact CB-CD1 3.95Å; Q67-L69 HydrophobicContact CB-CG 3.82Å; Q67-L69 PolarHBondContact O-N 3.3Å; Q67-L69 VanDerWaalsContact O-N 3.16Å
68R96.1Very high96.3Very high169 Ų16959.1 Ų59.164%0.63831%0.305SS*.THydrogen-bonded Turntrans61.321.2177-65.7-173.6164.2-171.6-2.9114.7V65 M66 V76 T78V65-R68 PolarHBondContact O-N 3.25Å; V65-R68 VanDerWaalsContact O-N 3.14Å; M66-R68 PolarHBondContact O-N 3.21Å; M66-R68 VanDerWaalsContact O-N 3.14Å; R68-V76 HydrophobicContact CB-CG1 3.6Å; R68-V76 HydrophobicContact CG-CG1 3.76Å; R68-T78 HydrophobicContact CG-CG2 3.95Å
69L94.5Very high96.4Very high45 Ų4560.1 Ų60.124%0.23630%0.304CS..  trans-80.5-15.6-178-59176.9000113.9Q67 E93 K94Q67-L69 HydrophobicContact CB-CD1 3.95Å; Q67-L69 HydrophobicContact CB-CG 3.82Å; Q67-L69 PolarHBondContact O-N 3.3Å; Q67-L69 VanDerWaalsContact O-N 3.16Å; L69-E93 PolarHBondContact O-N 3.4Å; L69-K94 HydrophobicContact CD1-CD 4.23Å
70V96.6Very high96.4Very high0 Ų058.2 Ų58.20%029%0.287CS..EExtended strand (participates in β ladder)trans-101.7116.7-175.6-172.70000109.5L44 L48 I64 V65 R77 I90 L92L44-V70 HydrophobicContact CD1-CG1 4.38Å; L44-V70 HydrophobicContact CD2-CG1 4.35Å; L48-V70 HydrophobicContact CD1-CG2 4.23Å; I64-V70 HydrophobicContact CG2-CG2 3.94Å; V65-V70 HydrophobicContact CG2-CG2 4.32Å; V70-R77 PolarHBondContact O-N 3.4Å; V70-R77 VanDerWaalsContact O-N 3.09Å; V70-I90 HydrophobicContact CG1-CG2 4.21Å; V70-L92 HydrophobicContact CB-CD2 4.21Å; V70-L92 HydrophobicContact CG1-CD2 4.08Å; V70-L92 HydrophobicContact CG2-CD2 3.75Å
71K97.2Very high96.4Very high52 Ų5257.4 Ų57.423%0.22629%0.285CS..EExtended strand (participates in β ladder)trans-108.8134.6173.8-67.1-179.1175.6-178.90109.7K75 V76 I90 T91 E93K71-K75 CarbonylContact C-O 3.5Å; K71-K75 VanDerWaalsContact CA-O 3.3Å; K71-K75 WeakPolarHBondContact CA-O 3.41Å; K71-V76 HydrophobicContact CD-CG2 4.38Å; K71-V76 HydrophobicContact CG-CG2 3.89Å; K71-I90 CarbonylContact O-C 3.51Å; K71-I90 WeakPolarHBondContact O-CA 3.25Å; K71-T91 PolarHBondContact N-O 3.39Å; K71-T91 PolarHBondContact O-N 3.01Å; K71-E93 HydrophobicContact CD-CG 4.2Å; K71-E93 WeakPolarHBondContact CE-OE1 3.36Å; K71-E93 WeakPolarHBondContact CE-OE2 3.28Å; K71-E93 VanDerWaalsContact NZ-CD 3.32Å; K71-E93 IonicContact NZ-OE1 2.61Å; K71-E93 PolarHBondContact NZ-OE1 2.75Å; K71-E93 IonicContact NZ-OE2 2.89Å
72V97Very high96.4Very high1 Ų158.3 Ų58.31%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-118.5123.8170.3-171.80000107.9L44 G74 K75 R77 Y82 A84 D88 V89 I90L44-V72 HydrophobicContact CD1-CG2 4.11Å; L44-V72 HydrophobicContact CD2-CG2 3.9Å; V72-G74 VanDerWaalsContact C-N 3.3Å; V72-G74 PolarHBondContact O-N 3.43Å; V72-K75 PolarHBondContact N-O 3.28Å; V72-K75 PolarHBondContact O-N 2.91Å; V72-K75 VanDerWaalsContact O-N 3.16Å; V72-R77 HydrophobicContact CB-CG 3.82Å; V72-R77 HydrophobicContact CG2-CB 4.24Å; V72-R77 HydrophobicContact CG2-CG 3.81Å; V72-Y82 HydrophobicContact CB-CE1 4.1Å; V72-Y82 HydrophobicContact CG1-CE1 3.95Å; V72-Y82 HydrophobicContact CG2-CD1 4.26Å; V72-Y82 HydrophobicContact CG2-CE1 4.3Å; V72-A84 HydrophobicContact CG1-CB 4.41Å; V72-D88 HydrophobicContact CG1-CB 4.17Å; V72-V89 CarbonylContact C-O 3.52Å; V72-V89 WeakPolarHBondContact CA-O 3.47Å; V72-I90 HydrophobicContact CG1-CG1 4.38Å; V72-I90 HydrophobicContact CG2-CG1 4.29Å
73D96.5Very high96.5Very high6 Ų655.7 Ų55.73%0.03227%0.272CS..THydrogen-bonded Turntrans45.254.2-170.1-60.8-19.8000111.8K75 D88 V89 K122 R145 I164D73-K75 PolarHBondContact O-N 2.8Å; D73-D88 WeakPolarHBondContact OD1-CA 3.41Å; D73-V89 PolarHBondContact N-O 3.44Å; D73-V89 PolarHBondContact OD1-N 2.85Å; D73-K122 IonicContact OD1-NZ 3.38Å; D73-K122 IonicContact OD2-NZ 3.6Å; D73-K122 PolarHBondContact OD2-NZ 2.85Å; D73-R145 VanDerWaalsContact CG-NH2 3.35Å; D73-R145 IonicContact OD2-CZ 3.53Å; D73-R145 IonicContact OD2-NH2 2.58Å; D73-R145 PolarHBondContact OD2-NH2 2.53Å; D73-I164 HydrophobicContact CB-CG2 4.26Å; D73-I164 WeakPolarHBondContact O-CG2 3.49Å
74G94.9Very high96.5Very high42 Ų4248.8 Ų48.843%0.43324%0.243SC..THydrogen-bonded Turntrans72.7-9.4176.600000115.7V72V72-G74 VanDerWaalsContact C-N 3.3Å; V72-G74 PolarHBondContact O-N 3.43Å
75K96Very high96.5Very high126 Ų12647.1 Ų47.155%0.54823%0.234SC..EExtended strand (participates in β ladder)trans-104.1134-179.5-65.1-176.3-179.7-176.90110.9K71 V72 D73 R77K71-K75 CarbonylContact C-O 3.5Å; K71-K75 VanDerWaalsContact CA-O 3.3Å; K71-K75 WeakPolarHBondContact CA-O 3.41Å; V72-K75 PolarHBondContact N-O 3.28Å; V72-K75 PolarHBondContact O-N 2.91Å; V72-K75 VanDerWaalsContact O-N 3.16Å; D73-K75 PolarHBondContact O-N 2.8Å; K75-R77 PolarHBondContact O-N 2.96Å
76V97.1Very high96.5Very high57 Ų5747.4 Ų47.435%0.34524%0.235SC..EExtended strand (participates in β ladder)trans-60.7129.1173.6177.70000109.3R68 K71 T78R68-V76 HydrophobicContact CB-CG1 3.6Å; R68-V76 HydrophobicContact CG-CG1 3.76Å; K71-V76 HydrophobicContact CD-CG2 4.38Å; K71-V76 HydrophobicContact CG-CG2 3.89Å; V76-T78 HydrophobicContact CG1-CG2 4.26Å
77R97Very high96.5Very high75 Ų7542.1 Ų42.128%0.28321%0.209SC..  trans-118.2117.2174.8-62.5-56.4-179.9177.12.1109.2L44 V65 V70 V72 K75 Y82L44-R77 HydrophobicContact CD1-CB 3.92Å; V65-R77 WeakPolarHBondContact CG1-O 3.45Å; V70-R77 PolarHBondContact O-N 3.4Å; V70-R77 VanDerWaalsContact O-N 3.09Å; V72-R77 HydrophobicContact CB-CG 3.82Å; V72-R77 HydrophobicContact CG2-CB 4.24Å; V72-R77 HydrophobicContact CG2-CG 3.81Å; K75-R77 PolarHBondContact O-N 2.96Å; R77-Y82 HydrophobicContact CB-CG 4.36Å; R77-Y82 HydrophobicContact CG-CD1 4.1Å; R77-Y82 HydrophobicContact CG-CD2 4.31Å; R77-Y82 HydrophobicContact CG-CE1 4.05Å; R77-Y82 HydrophobicContact CG-CE2 4.27Å; R77-Y82 HydrophobicContact CG-CG 4.21Å; R77-Y82 PolarHBondContact NE-OH 3.43Å; R77-Y82 PolarHBondContact NH2-OH 3.16Å
78T96.8Very high96.6Very high57 Ų5736.3 Ų36.335%0.3518%0.182SC..  trans-98-1.2179.153.30000113.5V65 M66 R68 V76 P80V65-T78 WeakPolarHBondContact CG1-O 3.3Å; M66-T78 WeakPolarHBondContact CE-O 3.2Å; R68-T78 HydrophobicContact CG-CG2 3.95Å; V76-T78 HydrophobicContact CG1-CG2 4.26Å; T78-P80 WeakPolarHBondContact O-CD 3.44Å
79D96.7Very high96.6Very high47 Ų4728.3 Ų28.325%0.25115%0.152SC..  trans-86.7114.7176.1173.611.9000110.3S32 T81 Y82S32-D79 VanDerWaalsContact CB-OD2 3.23Å; S32-D79 WeakPolarHBondContact CB-OD2 3.42Å; S32-D79 PolarHBondContact OG-OD2 3.33Å; D79-T81 PolarHBondContact O-N 2.91Å; D79-T81 VanDerWaalsContact O-N 3.17Å; D79-T81 WeakPolarHBondContact OD1-CA 3.39Å; D79-T81 PolarHBondContact OD1-N 3.36Å; D79-T81 PolarHBondContact OD1-OG1 3.31Å; D79-Y82 VanDerWaalsContact O-CB 3.3Å; D79-Y82 WeakPolarHBondContact O-CB 3.39Å; D79-Y82 PolarHBondContact O-N 3.3Å; D79-Y82 VanDerWaalsContact O-N 3.11Å; D79-Y82 PolarHBondContact OD2-N 3.14Å
80P96.6Very high96.8Very high22 Ų2226.2 Ų26.214%0.14314%0.141CC..THydrogen-bonded Turntrans-60.5-25.6176.8-21.934.2000113L44 L45 V61 T78L44-P80 CarbonylContact C-O 3.57Å; L44-P80 PolarHBondContact N-O 2.65Å; L45-P80 WeakPolarHBondContact CB-O 3.1Å; L45-P80 PolarHBondContact N-O 2.92Å; V61-P80 HydrophobicContact CG1-CB 4.08Å; T78-P80 WeakPolarHBondContact O-CD 3.44Å
81T96.8Very high96.8Very high36 Ų3627.1 Ų27.122%0.22115%0.147CC..THydrogen-bonded Turntrans-99.714.1-179.553.70000113.7P29 R30 P31 S32 D79P29-T81 HydrophobicContact CB-CG2 4.17Å; R30-T81 WeakPolarHBondContact O-CB 3.4Å; P31-T81 WeakPolarHBondContact CA-O 3.47Å; S32-T81 PolarHBondContact N-O 2.98Å; S32-T81 PolarHBondContact OG-OG1 3.13Å; D79-T81 PolarHBondContact O-N 2.91Å; D79-T81 VanDerWaalsContact O-N 3.17Å; D79-T81 WeakPolarHBondContact OD1-CA 3.39Å; D79-T81 PolarHBondContact OD1-N 3.36Å; D79-T81 PolarHBondContact OD1-OG1 3.31Å
82Y97.5Very high96.7Very high20 Ų2025.2 Ų25.28%0.07814%0.139CC..  trans-56.4127.4176.8-174.1-98.7000111P35 P43 L44 V72 R77 D79 A84P35-Y82 HydrophobicContact CG-CE2 4.48Å; P35-Y82 VanDerWaalsContact CG-OH 3.24Å; P35-Y82 WeakPolarHBondContact CG-OH 3.42Å; P43-Y82 WeakPolarHBondContact CA-O 3.23Å; L44-Y82 HydrophobicContact CD1-CD1 4.33Å; L44-Y82 HydrophobicContact CD1-CG 4.41Å; L44-Y82 HydrophobicContact CG-CD1 4.49Å; L44-Y82 PolarHBondContact N-O 3.2Å; V72-Y82 HydrophobicContact CB-CE1 4.1Å; V72-Y82 HydrophobicContact CG1-CE1 3.95Å; V72-Y82 HydrophobicContact CG2-CD1 4.26Å; V72-Y82 HydrophobicContact CG2-CE1 4.3Å; R77-Y82 HydrophobicContact CB-CG 4.36Å; R77-Y82 HydrophobicContact CG-CD1 4.1Å; R77-Y82 HydrophobicContact CG-CD2 4.31Å; R77-Y82 HydrophobicContact CG-CE1 4.05Å; R77-Y82 HydrophobicContact CG-CE2 4.27Å; R77-Y82 HydrophobicContact CG-CG 4.21Å; R77-Y82 PolarHBondContact NE-OH 3.43Å; R77-Y82 PolarHBondContact NH2-OH 3.16Å; D79-Y82 VanDerWaalsContact O-CB 3.3Å; D79-Y82 WeakPolarHBondContact O-CB 3.39Å; D79-Y82 PolarHBondContact O-N 3.3Å; D79-Y82 VanDerWaalsContact O-N 3.11Å; D79-Y82 PolarHBondContact OD2-N 3.14Å; Y82-A84 PolarHBondContact O-N 2.84Å
83P97.4Very high96.4Very high0 Ų029.9 Ų29.90%016%0.16CC..EExtended strand (participates in β ladder)trans-8283.3-17734.1-36.8000110.7P31 S32 H36P31-P83 HydrophobicContact CB-CB 3.97Å; S32-P83 WeakPolarHBondContact O-CG 3.36Å; H36-P83 PolarHBondContact CD2-O 3.09Å
84A96.8Very high96.2Very high0 Ų037.9 Ų37.90%020%0.195CC..EExtended strand (participates in β ladder)trans-70.9135.9168.400000109.2S41 L42 L44 V72 Y82 D88 I90 L101S41-A84 CarbonylContact C-O 3.59Å; S41-A84 WeakPolarHBondContact CA-O 3.18Å; L42-A84 PolarHBondContact N-O 2.81Å; L42-A84 PolarHBondContact O-N 3.38Å; L44-A84 HydrophobicContact CD2-CB 4.36Å; V72-A84 HydrophobicContact CG1-CB 4.41Å; Y82-A84 PolarHBondContact O-N 2.84Å; A84-D88 WeakPolarHBondContact CA-OD2 3.5Å; A84-I90 HydrophobicContact CB-CD1 4.1Å; A84-L101 HydrophobicContact CB-CD1 3.55Å
85G96Very high96.1Very high0 Ų039.5 Ų39.50%020%0.196CC..EExtended strand (participates in β ladder)trans-131.5-163.6-172.100000113.9H36 M87 D88 L101H36-G85 WeakPolarHBondContact CD2-CA 3.35Å; H36-G85 PolarHBondContact CD2-N 2.73Å; G85-M87 PolarHBondContact O-N 3.3Å; G85-D88 PolarHBondContact N-OD2 3.06Å; G85-D88 WeakPolarHBondContact O-CB 3.38Å; G85-D88 PolarHBondContact O-N 3.21Å; G85-L101 WeakPolarHBondContact O-CB 3.32Å
86Y96.2Very high96Very high7 Ų735.7 Ų35.73%0.02719%0.193CC..THydrogen-bonded Turntrans-58.2136.1-178.3-177.4-106.7000111D88 V102 Y103 H142 M182 T184 F226Y86-D88 PolarHBondContact O-N 3.35Å; Y86-V102 HydrophobicContact CE2-CG1 4.17Å; Y86-Y103 AromaticContact CD2-CD2 3.29Å; Y86-Y103 HydrophobicContact CD2-CD2 3.29Å; Y86-Y103 AromaticContact CD2-CE2 3.43Å; Y86-Y103 HydrophobicContact CD2-CE2 3.43Å; Y86-Y103 VanDerWaalsContact CD2-CE2 3.43Å; Y86-Y103 HydrophobicContact CD2-CG 4.2Å; Y86-Y103 AromaticContact CE2-CD2 3.63Å; Y86-Y103 HydrophobicContact CE2-CD2 3.63Å; Y86-Y103 HydrophobicContact CE2-CE2 4.17Å; Y86-Y103 HydrophobicContact CE2-CG 4.49Å; Y86-Y103 HydrophobicContact CG-CD2 4.14Å; Y86-Y103 AromaticContact CG-CE2 3.83Å; Y86-Y103 HydrophobicContact CG-CE2 3.83Å; Y86-H142 PolarHBondContact O-NE2 3.18Å; Y86-M182 HydrophobicContact CE2-SD 3.65Å; Y86-M182 WeakPolarHBondContact OH-CB 3.16Å; Y86-M182 PolarHBondContact OH-SD 2.58Å; Y86-T184 HydrophobicContact CD1-CG2 3.67Å; Y86-T184 HydrophobicContact CD2-CG2 4.43Å; Y86-T184 HydrophobicContact CE1-CG2 3.47Å; Y86-T184 VanDerWaalsContact CE1-CG2 3.47Å; Y86-T184 HydrophobicContact CE2-CG2 4.25Å; Y86-T184 HydrophobicContact CG-CG2 4.17Å; Y86-F226 AromaticContact CD1-CD2 3.96Å; Y86-F226 HydrophobicContact CD1-CD2 3.96Å; Y86-F226 HydrophobicContact CD1-CE2 4.02Å; Y86-F226 HydrophobicContact CE1-CB 4.17Å; Y86-F226 AromaticContact CE1-CD1 3.98Å; Y86-F226 HydrophobicContact CE1-CD1 3.98Å; Y86-F226 AromaticContact CE1-CD2 3.51Å; Y86-F226 HydrophobicContact CE1-CD2 3.51Å; Y86-F226 HydrophobicContact CE1-CE1 4.24Å; Y86-F226 AromaticContact CE1-CE2 3.77Å; Y86-F226 HydrophobicContact CE1-CE2 3.77Å; Y86-F226 AromaticContact CE1-CG 3.63Å; Y86-F226 HydrophobicContact CE1-CG 3.63Å; Y86-F226 HydrophobicContact CE1-CZ 4.14Å
87M97Very high95.9Very high0 Ų034.7 Ų34.70%018%0.184CC..THydrogen-bonded Turntrans67.6-3-176.9-64.6-61.4-64.400117G85 L101 K122 L123 F226 I236G85-M87 PolarHBondContact O-N 3.3Å; M87-L101 PolarHBondContact N-O 3.47Å; M87-K122 HydrophobicContact CB-CG 4.26Å; M87-K122 WeakPolarHBondContact O-CD 3.29Å; M87-K122 WeakPolarHBondContact O-CE 3.43Å; M87-K122 VanDerWaalsContact O-CG 3.3Å; M87-K122 WeakPolarHBondContact O-CG 3.16Å; M87-L123 WeakPolarHBondContact CB-O 3.38Å; M87-L123 HydrophobicContact CE-CB 3.48Å; M87-L123 VanDerWaalsContact CE-CB 3.48Å; M87-L123 HydrophobicContact CE-CD1 4.04Å; M87-L123 HydrophobicContact CE-CG 3.76Å; M87-F226 HydrophobicContact CG-CE1 4.25Å; M87-F226 HydrophobicContact CG-CE2 4.37Å; M87-F226 HydrophobicContact CG-CZ 3.89Å; M87-I236 HydrophobicContact CE-CD1 3.94Å; M87-I236 HydrophobicContact CE-CG2 3.55Å; M87-I236 HydrophobicContact SD-CD1 3.66Å
88D97.4Very high95.9Very high1 Ų133.6 Ų33.61%0.00518%0.182CC..  trans-63.4141.5175.5-69.75000110.9H36 V72 D73 A84 G85 Y86 R100 L101 K122H36-D88 IonicContact CD2-OD1 2.83Å; H36-D88 IonicContact CD2-OD2 2.84Å; H36-D88 PolarHBondContact CD2-OD2 3.15Å; H36-D88 IonicContact CE1-OD1 3.83Å; H36-D88 VanDerWaalsContact NE2-CG 3.27Å; H36-D88 IonicContact NE2-OD1 2.95Å; H36-D88 PolarHBondContact NE2-OD1 2.88Å; H36-D88 IonicContact NE2-OD2 3.5Å; H36-D88 PolarHBondContact NE2-OD2 3.02Å; H36-D88 VanDerWaalsContact NE2-OD2 3.11Å; V72-D88 HydrophobicContact CG1-CB 4.17Å; D73-D88 WeakPolarHBondContact OD1-CA 3.41Å; A84-D88 WeakPolarHBondContact CA-OD2 3.5Å; G85-D88 PolarHBondContact N-OD2 3.06Å; G85-D88 WeakPolarHBondContact O-CB 3.38Å; G85-D88 PolarHBondContact O-N 3.21Å; Y86-D88 PolarHBondContact O-N 3.35Å; D88-R100 WeakPolarHBondContact O-CA 3.49Å; D88-L101 PolarHBondContact O-N 2.84Å; D88-K122 WeakPolarHBondContact OD1-CE 3.42Å; D88-K122 IonicContact OD1-NZ 2.76Å; D88-K122 PolarHBondContact OD1-NZ 2.9Å
89V97.6Very high95.9Very high1 Ų130.9 Ų30.91%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-100123.6173.7177.50000108.7V72 D73 F99 I114 A119 I164V72-V89 CarbonylContact C-O 3.52Å; V72-V89 WeakPolarHBondContact CA-O 3.47Å; D73-V89 PolarHBondContact N-O 3.44Å; D73-V89 PolarHBondContact OD1-N 2.85Å; V89-F99 CarbonylContact C-O 3.48Å; V89-F99 VanDerWaalsContact CA-O 3.32Å; V89-F99 WeakPolarHBondContact CA-O 3.4Å; V89-I114 HydrophobicContact CG1-CD1 4.14Å; V89-I114 HydrophobicContact CG2-CD1 4.31Å; V89-A119 HydrophobicContact CG1-CB 3.93Å; V89-I164 HydrophobicContact CB-CD1 3.84Å; V89-I164 HydrophobicContact CG1-CD1 4.46Å; V89-I164 HydrophobicContact CG2-CD1 3.79Å
90I97.3Very high96Very high0 Ų028.7 Ų28.70%015%0.153CC..EExtended strand (participates in β ladder)trans-109.5121176-56.6173.9000108.1L44 F47 V70 K71 V72 A84 F99 L101L44-I90 HydrophobicContact CD2-CD1 4.23Å; F47-I90 HydrophobicContact CD1-CD1 4.17Å; F47-I90 HydrophobicContact CD1-CG2 4.47Å; F47-I90 HydrophobicContact CD2-CD1 3.76Å; F47-I90 HydrophobicContact CE1-CB 4.39Å; F47-I90 HydrophobicContact CE1-CD1 4.03Å; F47-I90 HydrophobicContact CE1-CG2 3.71Å; F47-I90 HydrophobicContact CE2-CD1 3.57Å; F47-I90 HydrophobicContact CG-CD1 4.05Å; F47-I90 HydrophobicContact CZ-CB 4.07Å; F47-I90 HydrophobicContact CZ-CD1 3.73Å; F47-I90 HydrophobicContact CZ-CG1 4.5Å; F47-I90 HydrophobicContact CZ-CG2 3.88Å; V70-I90 HydrophobicContact CG1-CG2 4.21Å; K71-I90 CarbonylContact O-C 3.51Å; K71-I90 WeakPolarHBondContact O-CA 3.25Å; V72-I90 HydrophobicContact CG1-CG1 4.38Å; V72-I90 HydrophobicContact CG2-CG1 4.29Å; A84-I90 HydrophobicContact CB-CD1 4.1Å; I90-F99 HydrophobicContact CB-CB 4.45Å; I90-F99 PolarHBondContact N-O 3.16Å; I90-F99 PolarHBondContact O-N 2.67Å; I90-L101 HydrophobicContact CD1-CD1 3.87Å; I90-L101 HydrophobicContact CD1-CD2 4.19Å; I90-L101 HydrophobicContact CD1-CG 3.91Å
91T97.4Very high95.9Very high20 Ų2027.6 Ų27.612%0.12315%0.147CC..EExtended strand (participates in β ladder)trans-111.7131.4179.1-55.10000109.4K71 F98K71-T91 PolarHBondContact N-O 3.39Å; K71-T91 PolarHBondContact O-N 3.01Å; T91-F98 HydrophobicContact CG2-CD1 3.56Å; T91-F98 HydrophobicContact CG2-CE1 3.37Å; T91-F98 HydrophobicContact CG2-CZ 4.32Å; T91-F98 WeakPolarHBondContact OG1-CD1 3.36Å
92L95.8Very high95.9Very high11 Ų1125.9 Ų25.96%0.05814%0.136CC..EExtended strand (participates in β ladder)trans-111.4103.6171.1-62.9-178.6000108.7L48 L52 Y54 V70 K94 T95 G96 E97 F99L48-L92 HydrophobicContact CD2-CD2 4.48Å; L52-L92 HydrophobicContact CD1-CD1 3.92Å; Y54-L92 HydrophobicContact CD2-CD1 3.91Å; Y54-L92 HydrophobicContact CE2-CD1 3.47Å; Y54-L92 VanDerWaalsContact CE2-CD1 3.47Å; V70-L92 HydrophobicContact CB-CD2 4.21Å; V70-L92 HydrophobicContact CG1-CD2 4.08Å; V70-L92 HydrophobicContact CG2-CD2 3.75Å; L92-K94 VanDerWaalsContact C-N 3.34Å; L92-K94 PolarHBondContact O-N 2.78Å; L92-T95 WeakPolarHBondContact CB-OG1 3.32Å; L92-T95 PolarHBondContact O-N 2.88Å; L92-T95 PolarHBondContact O-OG1 2.6Å; L92-G96 PolarHBondContact O-N 3.49Å; L92-E97 PolarHBondContact N-O 2.9Å; L92-E97 PolarHBondContact O-N 3.03Å; L92-F99 HydrophobicContact CD1-CE2 3.89Å; L92-F99 HydrophobicContact CG-CE2 4.33Å
93E90Very high95.8Very high99 Ų9925.4 Ų25.446%0.46313%0.134SC..THydrogen-bonded Turntrans-64.5-39.7-169.7-60.9-166.7123.500112.7L69 K71 T95 G96L69-E93 PolarHBondContact O-N 3.4Å; K71-E93 HydrophobicContact CD-CG 4.2Å; K71-E93 WeakPolarHBondContact CE-OE1 3.36Å; K71-E93 WeakPolarHBondContact CE-OE2 3.28Å; K71-E93 VanDerWaalsContact NZ-CD 3.32Å; K71-E93 IonicContact NZ-OE1 2.61Å; K71-E93 PolarHBondContact NZ-OE1 2.75Å; K71-E93 IonicContact NZ-OE2 2.89Å; E93-T95 VanDerWaalsContact C-N 3.33Å; E93-T95 PolarHBondContact O-N 2.91Å; E93-G96 PolarHBondContact O-N 2.8Å
94K92.4Very high95.6Very high174 Ų17426.5 Ų26.576%0.75714%0.14SC*.THydrogen-bonded Turntrans-68.4-31.3-175.4-166.4168.8-176.5175.20113.3L69 L92L69-K94 HydrophobicContact CD1-CD 4.23Å; L92-K94 VanDerWaalsContact C-N 3.34Å; L92-K94 PolarHBondContact O-N 2.78Å
95T93.6Very high95.5Very high76 Ų7627.3 Ų27.347%0.46615%0.145SC..THydrogen-bonded Turntrans-95.3-9.5176.658.10000112.7L92 E93 E97L92-T95 WeakPolarHBondContact CB-OG1 3.32Å; L92-T95 PolarHBondContact O-N 2.88Å; L92-T95 PolarHBondContact O-OG1 2.6Å; E93-T95 VanDerWaalsContact C-N 3.33Å; E93-T95 PolarHBondContact O-N 2.91Å; T95-E97 PolarHBondContact O-N 3.06Å; T95-E97 PolarHBondContact OG1-OE2 3.17Å
96G92.5Very high95.3Very high46 Ų4631.8 Ų31.847%0.47416%0.164SC..THydrogen-bonded Turntrans64.220.5-174.300000113.5L92 E93 F98L92-G96 PolarHBondContact O-N 3.49Å; E93-G96 PolarHBondContact O-N 2.8Å; G96-F98 VanDerWaalsContact O-CE2 3.32Å; G96-F98 WeakPolarHBondContact O-CE2 3.15Å
97E95.2Very high95.1Very high36 Ų3632 Ų3217%0.16817%0.169CC..EExtended strand (participates in β ladder)trans-96.2139.3-177.8-67.5-178.5122.300111.8Y54 L92 T95 F99 R113Y54-E97 PolarHBondContact OH-OE2 3.26Å; L92-E97 PolarHBondContact N-O 2.9Å; L92-E97 PolarHBondContact O-N 3.03Å; T95-E97 PolarHBondContact O-N 3.06Å; T95-E97 PolarHBondContact OG1-OE2 3.17Å; E97-F99 HydrophobicContact CB-CD2 4.49Å; E97-F99 HydrophobicContact CB-CE2 3.62Å; E97-F99 HydrophobicContact CB-CZ 3.69Å; E97-F99 HydrophobicContact CG-CZ 4.27Å; E97-F99 WeakPolarHBondContact OE2-CZ 3.41Å; E97-R113 IonicContact OE1-CZ 2.66Å; E97-R113 IonicContact OE1-NE 3.61Å; E97-R113 IonicContact OE1-NH2 3.7Å; E97-R113 PolarHBondContact OE1-NH2 3.31Å
98F97.3Very high95Very high52 Ų5235.5 Ų35.523%0.22818%0.182CC..EExtended strand (participates in β ladder)trans-121.2132.2177.4-52.3-89.4000109.6T91 G96 I114 A116 A119T91-F98 HydrophobicContact CG2-CD1 3.56Å; T91-F98 HydrophobicContact CG2-CE1 3.37Å; T91-F98 HydrophobicContact CG2-CZ 4.32Å; T91-F98 WeakPolarHBondContact OG1-CD1 3.36Å; G96-F98 VanDerWaalsContact O-CE2 3.32Å; G96-F98 WeakPolarHBondContact O-CE2 3.15Å; F98-I114 HydrophobicContact CB-CD1 4.33Å; F98-I114 HydrophobicContact CB-CG1 3.72Å; F98-I114 PolarHBondContact O-N 3.31Å; F98-A116 HydrophobicContact CD2-CB 4.13Å; F98-A116 HydrophobicContact CE2-CB 3.6Å; F98-A116 HydrophobicContact CZ-CB 3.9Å; F98-A119 HydrophobicContact CB-CB 3.78Å; F98-A119 HydrophobicContact CD1-CB 3.5Å; F98-A119 VanDerWaalsContact CD1-CB 3.5Å; F98-A119 HydrophobicContact CE1-CB 4.28Å; F98-A119 HydrophobicContact CG-CB 3.76Å
99F97.3Very high94.8Very high1 Ų135.6 Ų35.60%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-128.2141.3-178.1-55.7-75.9000110.5F47 L52 V89 I90 L92 E97 I111 H112 R113F47-F99 HydrophobicContact CE2-CB 4.5Å; F47-F99 HydrophobicContact CZ-CB 4.16Å; F47-F99 AromaticContact CZ-CD2 3.85Å; F47-F99 HydrophobicContact CZ-CD2 3.85Å; F47-F99 HydrophobicContact CZ-CE2 4.48Å; F47-F99 HydrophobicContact CZ-CG 4.1Å; L52-F99 HydrophobicContact CD1-CE2 3.96Å; L52-F99 HydrophobicContact CD1-CZ 4.17Å; L52-F99 HydrophobicContact CD2-CE1 4.07Å; L52-F99 HydrophobicContact CD2-CE2 4.4Å; L52-F99 HydrophobicContact CD2-CZ 3.81Å; V89-F99 CarbonylContact C-O 3.48Å; V89-F99 VanDerWaalsContact CA-O 3.32Å; V89-F99 WeakPolarHBondContact CA-O 3.4Å; I90-F99 HydrophobicContact CB-CB 4.45Å; I90-F99 PolarHBondContact N-O 3.16Å; I90-F99 PolarHBondContact O-N 2.67Å; L92-F99 HydrophobicContact CD1-CE2 3.89Å; L92-F99 HydrophobicContact CG-CE2 4.33Å; E97-F99 HydrophobicContact CB-CD2 4.49Å; E97-F99 HydrophobicContact CB-CE2 3.62Å; E97-F99 HydrophobicContact CB-CZ 3.69Å; E97-F99 HydrophobicContact CG-CZ 4.27Å; E97-F99 WeakPolarHBondContact OE2-CZ 3.41Å; F99-I111 HydrophobicContact CB-CG2 3.86Å; F99-I111 HydrophobicContact CD1-CG2 3.13Å; F99-I111 HydrophobicContact CE1-CG2 3.66Å; F99-I111 HydrophobicContact CG-CG2 3.6Å; F99-H112 CarbonylContact C-O 3.58Å; F99-H112 VanDerWaalsContact CA-O 3.28Å; F99-H112 WeakPolarHBondContact CA-O 3.41Å; F99-R113 HydrophobicContact CD1-CG 3.74Å; F99-R113 HydrophobicContact CE1-CG 3.49Å; F99-R113 VanDerWaalsContact CE1-CG 3.49Å
100R97.4Very high94.6Very high0 Ų037.7 Ų37.70%020%0.195CC..EExtended strand (participates in β ladder)trans-111.3133.4166.2-172169.5-79.7157.2-1.4109.8D88 V102 H112 I114 E118 Y121D88-R100 WeakPolarHBondContact O-CA 3.49Å; R100-V102 HydrophobicContact CB-CG2 4.26Å; R100-V102 HydrophobicContact CG-CG2 3.79Å; R100-V102 PolarHBondContact O-N 2.66Å; R100-H112 PolarHBondContact N-O 3.33Å; R100-H112 WeakPolarHBondContact O-CB 3.41Å; R100-H112 PolarHBondContact O-N 3.06Å; R100-H112 VanDerWaalsContact O-N 3.09Å; R100-I114 HydrophobicContact CB-CD1 4.19Å; R100-I114 HydrophobicContact CB-CG2 3.93Å; R100-E118 IonicContact CZ-OE1 3.49Å; R100-E118 IonicContact NH1-OE1 2.92Å; R100-E118 PolarHBondContact NH1-OE1 2.78Å; R100-E118 PolarHBondContact NH2-O 3.42Å; R100-Y121 PolarHBondContact NH2-O 2.81Å
101L96.3Very high94.4Very high0 Ų039.3 Ų39.30%020%0.203CC..EExtended strand (participates in β ladder)trans-81.4111.4173.8-70.4-174.3000110L42 F47 A84 G85 M87 D88 I90 F109L42-L101 HydrophobicContact CB-CD1 4.48Å; L42-L101 HydrophobicContact CD2-CD2 4.13Å; F47-L101 HydrophobicContact CD2-CD2 3.96Å; F47-L101 HydrophobicContact CE2-CD2 3.96Å; A84-L101 HydrophobicContact CB-CD1 3.55Å; G85-L101 WeakPolarHBondContact O-CB 3.32Å; M87-L101 PolarHBondContact N-O 3.47Å; D88-L101 PolarHBondContact O-N 2.84Å; I90-L101 HydrophobicContact CD1-CD1 3.87Å; I90-L101 HydrophobicContact CD1-CD2 4.19Å; I90-L101 HydrophobicContact CD1-CG 3.91Å; L101-F109 HydrophobicContact CB-CD1 4.41Å
102V95.9Very high94.4Very high0 Ų039.8 Ų39.80%020%0.204CC..EExtended strand (participates in β ladder)trans-129.5157-179.6-1700000109.2Y86 R100 V110 H112 M182 P239Y86-V102 HydrophobicContact CE2-CG1 4.17Å; R100-V102 HydrophobicContact CB-CG2 4.26Å; R100-V102 HydrophobicContact CG-CG2 3.79Å; R100-V102 PolarHBondContact O-N 2.66Å; V102-V110 PolarHBondContact N-O 2.62Å; V102-V110 PolarHBondContact O-N 2.78Å; V102-H112 HydrophobicContact CG2-CB 4.39Å; V102-M182 HydrophobicContact CG1-CE 3.6Å; V102-M182 HydrophobicContact CG1-SD 3.49Å; V102-M182 WeakPolarHBondContact CG1-SD 3.37Å; V102-P239 HydrophobicContact CG1-CG 4.28Å
103Y95.6Very high94.4Very high10 Ų1047.4 Ų47.44%0.03923%0.232CC..EExtended strand (participates in β ladder)trans-83139.5172.8-67.2-63.4000111.8Y86 R108 F109 T184 L189Y86-Y103 AromaticContact CD2-CD2 3.29Å; Y86-Y103 HydrophobicContact CD2-CD2 3.29Å; Y86-Y103 AromaticContact CD2-CE2 3.43Å; Y86-Y103 HydrophobicContact CD2-CE2 3.43Å; Y86-Y103 VanDerWaalsContact CD2-CE2 3.43Å; Y86-Y103 HydrophobicContact CD2-CG 4.2Å; Y86-Y103 AromaticContact CE2-CD2 3.63Å; Y86-Y103 HydrophobicContact CE2-CD2 3.63Å; Y86-Y103 HydrophobicContact CE2-CE2 4.17Å; Y86-Y103 HydrophobicContact CE2-CG 4.49Å; Y86-Y103 HydrophobicContact CG-CD2 4.14Å; Y86-Y103 AromaticContact CG-CE2 3.83Å; Y86-Y103 HydrophobicContact CG-CE2 3.83Å; Y103-R108 WeakPolarHBondContact CA-O 3.46Å; Y103-F109 HydrophobicContact CD1-CD1 4.17Å; Y103-F109 HydrophobicContact CD1-CE1 4.16Å; Y103-F109 HydrophobicContact CD1-CZ 4.49Å; Y103-F109 AromaticContact CE1-CD1 3.86Å; Y103-F109 HydrophobicContact CE1-CD1 3.86Å; Y103-F109 HydrophobicContact CE1-CD2 4.17Å; Y103-F109 AromaticContact CE1-CE1 3.47Å; Y103-F109 HydrophobicContact CE1-CE1 3.47Å; Y103-F109 VanDerWaalsContact CE1-CE1 3.47Å; Y103-F109 AromaticContact CE1-CE2 3.81Å; Y103-F109 HydrophobicContact CE1-CE2 3.81Å; Y103-F109 HydrophobicContact CE1-CG 4.19Å; Y103-F109 AromaticContact CE1-CZ 3.44Å; Y103-F109 HydrophobicContact CE1-CZ 3.44Å; Y103-F109 VanDerWaalsContact CE1-CZ 3.44Å; Y103-F109 HydrophobicContact CE2-CE1 4.41Å; Y103-F109 AromaticContact CZ-CE1 3.63Å; Y103-F109 AromaticContact CZ-CZ 3.54Å; Y103-F109 WeakPolarHBondContact OH-CZ 3.21Å; Y103-T184 HydrophobicContact CE2-CG2 4.42Å; Y103-L189 HydrophobicContact CD1-CD1 4.07Å; Y103-L189 HydrophobicContact CD1-CD2 4.21Å; Y103-L189 HydrophobicContact CD1-CG 4.22Å; Y103-L189 HydrophobicContact CD2-CD1 3.64Å; Y103-L189 HydrophobicContact CE1-CD1 4.23Å; Y103-L189 HydrophobicContact CE1-CD2 4.29Å; Y103-L189 HydrophobicContact CE2-CD1 3.83Å; Y103-L189 HydrophobicContact CG-CD1 3.77Å; Y103-L189 HydrophobicContact CG-CG 4.16Å
104D93.7Very high94.7Very high23 Ų2343.5 Ų43.512%0.12321%0.214CC..  trans-85.8160.1162.9172.531000110.6K106 G107 R108 V110 G190D104-K106 PolarHBondContact O-N 3.28Å; D104-G107 WeakPolarHBondContact O-CA 3.46Å; D104-G107 PolarHBondContact O-N 3.38Å; D104-R108 PolarHBondContact N-O 2.87Å; D104-R108 IonicContact OD2-CZ 2.9Å; D104-R108 IonicContact OD2-NE 2.67Å; D104-R108 IonicContact OD2-NH2 3.17Å; D104-R108 PolarHBondContact OD2-NH2 3Å; D104-V110 HydrophobicContact CB-CB 4.4Å; D104-V110 HydrophobicContact CB-CG2 3.48Å; D104-V110 VanDerWaalsContact CB-CG2 3.48Å; D104-G190 WeakPolarHBondContact O-CA 3.37Å
105V93.7Very high94.9Very high17 Ų1738.3 Ų38.310%0.10320%0.2CC..THydrogen-bonded Turntrans-61.6-13.7-179-59.20000114.1G107 G243 K245V105-G107 VanDerWaalsContact C-N 3.32Å; V105-G243 VanDerWaalsContact CG1-C 3.45Å; V105-K245 HydrophobicContact CB-CB 4.12Å; V105-K245 HydrophobicContact CB-CG 4.4Å
106K92.4Very high95Very high94 Ų9437.2 Ų37.241%0.40920%0.198SC..THydrogen-bonded Turntrans-87.31.7171-65.4-178.2-174.51630113.6D104 R108 E251D104-K106 PolarHBondContact O-N 3.28Å; K106-R108 HydrophobicContact CB-CG 4.48Å; K106-E251 WeakPolarHBondContact CE-OE1 3.31Å; K106-E251 IonicContact NZ-OE1 3.6Å; K106-E251 PolarHBondContact NZ-OE1 3.36Å
107G91.4Very high95.2Very high12 Ų1242 Ų4212%0.12421%0.208CC..SBendtrans77.432.3178.100000115D104 V105 L189D104-G107 WeakPolarHBondContact O-CA 3.46Å; D104-G107 PolarHBondContact O-N 3.38Å; V105-G107 VanDerWaalsContact C-N 3.32Å; G107-L189 WeakPolarHBondContact O-CD2 3.38Å
108R94.1Very high95.2Very high73 Ų7341.2 Ų41.228%0.27521%0.205SC..  trans-117.5148.4-177.9-57.1173.7-66.3167.87.2109.6M19 Y103 D104 K106 V110M19-R108 WeakPolarHBondContact SD-CD 3.5Å; M19-R108 HydrophobicContact SD-CG 4.5Å; Y103-R108 WeakPolarHBondContact CA-O 3.46Å; D104-R108 PolarHBondContact N-O 2.87Å; D104-R108 IonicContact OD2-CZ 2.9Å; D104-R108 IonicContact OD2-NE 2.67Å; D104-R108 IonicContact OD2-NH2 3.17Å; D104-R108 PolarHBondContact OD2-NH2 3Å; K106-R108 HydrophobicContact CB-CG 4.48Å; R108-V110 PolarHBondContact O-N 3.36Å
109F94.1Very high95.2Very high3 Ų339.2 Ų39.21%0.01320%0.198CC..EExtended strand (participates in β ladder)trans-67121.7166.4-74.7-71.2000109.8E40 L42 L101 Y103E40-F109 WeakPolarHBondContact O-CZ 3.48Å; L42-F109 HydrophobicContact CB-CD2 4.03Å; L42-F109 HydrophobicContact CB-CE2 4.43Å; L42-F109 HydrophobicContact CB-CG 4.31Å; L42-F109 HydrophobicContact CD2-CB 4.25Å; L101-F109 HydrophobicContact CB-CD1 4.41Å; Y103-F109 HydrophobicContact CD1-CD1 4.17Å; Y103-F109 HydrophobicContact CD1-CE1 4.16Å; Y103-F109 HydrophobicContact CD1-CZ 4.49Å; Y103-F109 AromaticContact CE1-CD1 3.86Å; Y103-F109 HydrophobicContact CE1-CD1 3.86Å; Y103-F109 HydrophobicContact CE1-CD2 4.17Å; Y103-F109 AromaticContact CE1-CE1 3.47Å; Y103-F109 HydrophobicContact CE1-CE1 3.47Å; Y103-F109 VanDerWaalsContact CE1-CE1 3.47Å; Y103-F109 AromaticContact CE1-CE2 3.81Å; Y103-F109 HydrophobicContact CE1-CE2 3.81Å; Y103-F109 HydrophobicContact CE1-CG 4.19Å; Y103-F109 AromaticContact CE1-CZ 3.44Å; Y103-F109 HydrophobicContact CE1-CZ 3.44Å; Y103-F109 VanDerWaalsContact CE1-CZ 3.44Å; Y103-F109 HydrophobicContact CE2-CE1 4.41Å; Y103-F109 AromaticContact CZ-CE1 3.63Å; Y103-F109 AromaticContact CZ-CZ 3.54Å; Y103-F109 WeakPolarHBondContact OH-CZ 3.21Å
110V93.8Very high95.1Very high44 Ų4445.7 Ų45.727%0.26723%0.226SC..EExtended strand (participates in β ladder)trans-104.9140.5169.1164.80000109V102 D104 R108 H112V102-V110 PolarHBondContact N-O 2.62Å; V102-V110 PolarHBondContact O-N 2.78Å; D104-V110 HydrophobicContact CB-CB 4.4Å; D104-V110 HydrophobicContact CB-CG2 3.48Å; D104-V110 VanDerWaalsContact CB-CG2 3.48Å; R108-V110 PolarHBondContact O-N 3.36Å; V110-H112 PolarHBondContact O-N 2.92Å
111I93Very high95.1Very high35 Ų3548 Ų4818%0.17924%0.235CC..EExtended strand (participates in β ladder)trans-8497.6171.5-58.9-170000106.7F47 R51 L52 F99F47-I111 HydrophobicContact CD2-CD1 3.42Å; F47-I111 VanDerWaalsContact CD2-CD1 3.42Å; F47-I111 HydrophobicContact CD2-CG1 3.85Å; F47-I111 HydrophobicContact CE2-CB 4.32Å; F47-I111 HydrophobicContact CE2-CD1 3.26Å; F47-I111 HydrophobicContact CE2-CG1 3.57Å; F47-I111 HydrophobicContact CE2-CG2 3.9Å; F47-I111 HydrophobicContact CG-CD1 4.26Å; F47-I111 HydrophobicContact CZ-CD1 3.98Å; F47-I111 HydrophobicContact CZ-CG2 4.24Å; R51-I111 HydrophobicContact CB-CD1 3.22Å; R51-I111 HydrophobicContact CB-CG1 4.07Å; R51-I111 HydrophobicContact CG-CD1 4.07Å; R51-I111 HydrophobicContact CG-CG1 4.5Å; L52-I111 HydrophobicContact CD2-CD1 3.83Å; L52-I111 HydrophobicContact CD2-CG2 4.15Å; L52-I111 HydrophobicContact CG-CD1 3.76Å; F99-I111 HydrophobicContact CB-CG2 3.86Å; F99-I111 HydrophobicContact CD1-CG2 3.13Å; F99-I111 HydrophobicContact CE1-CG2 3.66Å; F99-I111 HydrophobicContact CG-CG2 3.6Å
112H96Very high95.2Very high30 Ų3048.1 Ų48.114%0.13924%0.236CC..EExtended strand (participates in β ladder)trans-90118.6179.1-174.658.2000109.4F99 R100 V102 V110 S237 L238F99-H112 CarbonylContact C-O 3.58Å; F99-H112 VanDerWaalsContact CA-O 3.28Å; F99-H112 WeakPolarHBondContact CA-O 3.41Å; R100-H112 PolarHBondContact N-O 3.33Å; R100-H112 WeakPolarHBondContact O-CB 3.41Å; R100-H112 PolarHBondContact O-N 3.06Å; R100-H112 VanDerWaalsContact O-N 3.09Å; V102-H112 HydrophobicContact CG2-CB 4.39Å; V110-H112 PolarHBondContact O-N 2.92Å; H112-S237 PolarHBondContact CD2-OG 2.78Å; H112-S237 WeakPolarHBondContact NE2-CB 3.43Å; H112-S237 PolarHBondContact NE2-O 2.97Å; H112-S237 PolarHBondContact NE2-OG 3.18Å; H112-L238 PolarHBondContact CE1-O 2.88Å
113R96Very high95.2Very high170 Ų17048.1 Ų48.164%0.64224%0.236SC*.EExtended strand (participates in β ladder)trans-72.1130.7175.9-77.4179.4168.1174.2-4.8109.2E97 F99E97-R113 IonicContact OE1-CZ 2.66Å; E97-R113 IonicContact OE1-NE 3.61Å; E97-R113 IonicContact OE1-NH2 3.7Å; E97-R113 PolarHBondContact OE1-NH2 3.31Å; F99-R113 HydrophobicContact CD1-CG 3.74Å; F99-R113 HydrophobicContact CE1-CG 3.49Å; F99-R113 VanDerWaalsContact CE1-CG 3.49Å
114I97.2Very high95.3Very high18 Ų1847.7 Ų47.79%0.09223%0.234CC..EExtended strand (participates in β ladder)trans-126.5164.7-178.161.1166.5000111.1V89 F98 R100 E118 A119V89-I114 HydrophobicContact CG1-CD1 4.14Å; V89-I114 HydrophobicContact CG2-CD1 4.31Å; F98-I114 HydrophobicContact CB-CD1 4.33Å; F98-I114 HydrophobicContact CB-CG1 3.72Å; F98-I114 PolarHBondContact O-N 3.31Å; R100-I114 HydrophobicContact CB-CD1 4.19Å; R100-I114 HydrophobicContact CB-CG2 3.93Å; I114-E118 HydrophobicContact CB-CB 4.33Å; I114-E118 HydrophobicContact CB-CG 4.23Å; I114-E118 HydrophobicContact CD1-CG 4.23Å; I114-E118 HydrophobicContact CG2-CG 4.4Å; I114-A119 HydrophobicContact CD1-CB 3.72Å; I114-A119 HydrophobicContact CG1-CB 4.35Å
115S96.8Very high95.5Very high64 Ų6447.4 Ų47.445%0.44823%0.232SC..  trans-75.8160.7173.871.40000111.7E117 E118 A119S115-E117 PolarHBondContact O-N 3.38Å; S115-E118 PolarHBondContact O-N 3.08Å; S115-E118 PolarHBondContact OG-N 2.79Å; S115-A119 WeakPolarHBondContact O-CB 3.19Å; S115-A119 PolarHBondContact O-N 2.84Å
116A95.6Very high95.7Very high53 Ų5346.6 Ų46.644%0.43823%0.227SC..THydrogen-bonded Turntrans-60.8-31.417500000112.5F98F98-A116 HydrophobicContact CD2-CB 4.13Å; F98-A116 HydrophobicContact CE2-CB 3.6Å; F98-A116 HydrophobicContact CZ-CB 3.9Å
117E95.8Very high95.9Very high147 Ų14749.2 Ų49.269%0.68724%0.238SC*.THydrogen-bonded Turntrans-70.6-46176.9-172.3177.3-170.700111.8S115 A119 K120S115-E117 PolarHBondContact O-N 3.38Å; E117-A119 PolarHBondContact O-N 2.76Å; E117-K120 WeakPolarHBondContact O-CB 3.45Å; E117-K120 PolarHBondContact O-N 3.31Å
118E95.6Very high96.1Very high19 Ų1953.2 Ų53.29%0.08925%0.252CS..G310 helixtrans-64.4-29.3175.4179.8170.7-169.600112R100 I114 S115 K120 Y121 I236 S237R100-E118 IonicContact CZ-OE1 3.49Å; R100-E118 IonicContact NH1-OE1 2.92Å; R100-E118 PolarHBondContact NH1-OE1 2.78Å; R100-E118 PolarHBondContact NH2-O 3.42Å; I114-E118 HydrophobicContact CB-CB 4.33Å; I114-E118 HydrophobicContact CB-CG 4.23Å; I114-E118 HydrophobicContact CD1-CG 4.23Å; I114-E118 HydrophobicContact CG2-CG 4.4Å; S115-E118 PolarHBondContact O-N 3.08Å; S115-E118 PolarHBondContact OG-N 2.79Å; E118-K120 PolarHBondContact O-N 3.22Å; E118-Y121 HydrophobicContact CB-CE1 4.47Å; E118-Y121 HydrophobicContact CG-CE1 4.45Å; E118-I236 WeakPolarHBondContact OE1-CA 3.49Å; E118-S237 PolarHBondContact OE1-N 3.16Å; E118-S237 PolarHBondContact OE1-OG 3.48Å; E118-S237 VanDerWaalsContact OE1-OG 3.06Å; E118-S237 VanDerWaalsContact OE2-CB 3.29Å; E118-S237 WeakPolarHBondContact OE2-CB 3.37Å; E118-S237 PolarHBondContact OE2-OG 2.92Å
119A96.6Very high96.1Very high10 Ų1053 Ų538%0.08326%0.259CS..G310 helixtrans-71-12.3177.900000114.1V89 F98 I114 S115 E117 Y121 I164V89-A119 HydrophobicContact CG1-CB 3.93Å; F98-A119 HydrophobicContact CB-CB 3.78Å; F98-A119 HydrophobicContact CD1-CB 3.5Å; F98-A119 VanDerWaalsContact CD1-CB 3.5Å; F98-A119 HydrophobicContact CE1-CB 4.28Å; F98-A119 HydrophobicContact CG-CB 3.76Å; I114-A119 HydrophobicContact CD1-CB 3.72Å; I114-A119 HydrophobicContact CG1-CB 4.35Å; S115-A119 WeakPolarHBondContact O-CB 3.19Å; S115-A119 PolarHBondContact O-N 2.84Å; E117-A119 PolarHBondContact O-N 2.76Å; A119-Y121 VanDerWaalsContact C-N 3.31Å; A119-I164 WeakPolarHBondContact O-CD1 3.18Å
120K96.9Very high96.2Very high137 Ų13757.6 Ų57.660%0.59628%0.281SS*.G310 helixtrans-73.4-24177.8-67.8176.7-177.8176.70112.9E117 E118 I164E117-K120 WeakPolarHBondContact O-CB 3.45Å; E117-K120 PolarHBondContact O-N 3.31Å; E118-K120 PolarHBondContact O-N 3.22Å; K120-I164 VanDerWaalsContact O-CB 3.27Å; K120-I164 WeakPolarHBondContact O-CB 3.45Å; K120-I164 WeakPolarHBondContact O-CG1 3.27Å; K120-I164 PolarHBondContact O-N 3.21Å
121Y96.9Very high96.3Very high50 Ų5061.2 Ų61.220%0.19630%0.298CS..EExtended strand (participates in β ladder)trans-124.7166.8-178.366.7-93.1000112.3R100 E118 A119 Q161 V162 Y235R100-Y121 PolarHBondContact NH2-O 2.81Å; E118-Y121 HydrophobicContact CB-CE1 4.47Å; E118-Y121 HydrophobicContact CG-CE1 4.45Å; A119-Y121 VanDerWaalsContact C-N 3.31Å; Y121-Q161 HydrophobicContact CD2-CG 3.78Å; Y121-Q161 HydrophobicContact CG-CG 4.08Å; Y121-V162 CarbonylContact C-O 3.57Å; Y121-V162 VanDerWaalsContact CA-O 3.28Å; Y121-V162 WeakPolarHBondContact CA-O 3.41Å; Y121-Y235 WeakPolarHBondContact CE2-O 3.37Å; Y121-Y235 PolarHBondContact OH-O 2.72Å
122K97.2Very high96.4Very high2 Ų260.9 Ų60.91%0.00930%0.303CS..EExtended strand (participates in β ladder)trans-142.1144175.9170.7174.9179.1-167.80109.6D73 M87 D88 D143 V162 I164D73-K122 IonicContact OD1-NZ 3.38Å; D73-K122 IonicContact OD2-NZ 3.6Å; D73-K122 PolarHBondContact OD2-NZ 2.85Å; M87-K122 HydrophobicContact CB-CG 4.26Å; M87-K122 WeakPolarHBondContact O-CD 3.29Å; M87-K122 WeakPolarHBondContact O-CE 3.43Å; M87-K122 VanDerWaalsContact O-CG 3.3Å; M87-K122 WeakPolarHBondContact O-CG 3.16Å; D88-K122 WeakPolarHBondContact OD1-CE 3.42Å; D88-K122 IonicContact OD1-NZ 2.76Å; D88-K122 PolarHBondContact OD1-NZ 2.9Å; K122-D143 IonicContact NZ-OD2 2.75Å; K122-D143 PolarHBondContact NZ-OD2 2.83Å; K122-V162 PolarHBondContact N-O 3.19Å; K122-V162 PolarHBondContact O-N 2.96Å; K122-I164 HydrophobicContact CB-CD1 4.08Å; K122-I164 HydrophobicContact CB-CG1 4.12Å
123L97.5Very high96.3Very high0 Ų063.6 Ų63.60%033%0.331CS..EExtended strand (participates in β ladder)trans-87.4136.2167-55.8179.8000110.3M87 V160 Q161 F226 I228 Y235 I236M87-L123 WeakPolarHBondContact CB-O 3.38Å; M87-L123 HydrophobicContact CE-CB 3.48Å; M87-L123 VanDerWaalsContact CE-CB 3.48Å; M87-L123 HydrophobicContact CE-CD1 4.04Å; M87-L123 HydrophobicContact CE-CG 3.76Å; L123-V160 CarbonylContact C-O 3.6Å; L123-V160 WeakPolarHBondContact CA-O 3.49Å; L123-Q161 HydrophobicContact CD2-CB 3.9Å; L123-Q161 HydrophobicContact CD2-CG 4.14Å; L123-F226 HydrophobicContact CB-CE1 3.88Å; L123-F226 HydrophobicContact CB-CZ 4.05Å; L123-F226 HydrophobicContact CD1-CE1 4.45Å; L123-I228 HydrophobicContact CD1-CB 4.31Å; L123-I228 HydrophobicContact CD1-CG2 4.45Å; L123-Y235 HydrophobicContact CD2-CD1 4.34Å; L123-I236 HydrophobicContact CD1-CG2 3.69Å; L123-I236 HydrophobicContact CG-CG2 3.96Å
124C97.5Very high96.3Very high1 Ų165.7 Ų65.71%0.00734%0.344CS..EExtended strand (participates in β ladder)trans-128.4122175.2-71.90000110.5T141 V160 V162C124-T141 HydrophobicContact CB-CG2 3.65Å; C124-V160 HydrophobicContact CB-CG2 4Å; C124-V160 PolarHBondContact N-O 3.14Å; C124-V160 VanDerWaalsContact O-CG2 3.24Å; C124-V160 WeakPolarHBondContact O-CG2 3.43Å; C124-V160 PolarHBondContact O-N 3.14Å; C124-V162 HydrophobicContact CB-CG2 4.25Å
125K97.6Very high96.2Very high16 Ų1667.2 Ų67.27%0.0736%0.364CS..EExtended strand (participates in β ladder)trans-69.3133.5169.4177.7176-178.6177.40110.4T141 H142 N157 D158 L222 T223 V225 F226K125-T141 CarbonylContact O-C 3.59Å; K125-T141 VanDerWaalsContact O-CA 3.28Å; K125-T141 WeakPolarHBondContact O-CA 3.44Å; K125-H142 HydrophobicContact CB-CB 4.35Å; K125-H142 PolarHBondContact N-ND1 2.83Å; K125-H142 PolarHBondContact O-N 3.46Å; K125-N157 WeakPolarHBondContact CE-OD1 3.41Å; K125-N157 PolarHBondContact NZ-OD1 3.38Å; K125-D158 CarbonylContact C-O 3.47Å; K125-D158 WeakPolarHBondContact CA-O 3.4Å; K125-L222 PolarHBondContact NZ-O 3.24Å; K125-T223 PolarHBondContact NZ-O 3.07Å; K125-T223 VanDerWaalsContact NZ-O 3.08Å; K125-V225 WeakPolarHBondContact CD-O 3.09Å; K125-V225 WeakPolarHBondContact CE-O 3.05Å; K125-V225 PolarHBondContact NZ-O 3.01Å; K125-F226 HydrophobicContact CB-CD2 3.53Å; K125-F226 HydrophobicContact CB-CE2 3.4Å; K125-F226 HydrophobicContact CB-CG 4.33Å; K125-F226 HydrophobicContact CB-CZ 4.08Å; K125-F226 HydrophobicContact CD-CD2 4.27Å; K125-F226 HydrophobicContact CG-CD2 4.5Å
126V97.7Very high96.1Very high0 Ų064.8 Ų64.80%035%0.347CS..EExtended strand (participates in β ladder)trans-77.1122.9173.4-1780000109.1T129 L139 I154 N157 D158 V160V126-T129 HydrophobicContact CG1-CG2 4.03Å; V126-L139 HydrophobicContact CG1-CB 4.1Å; V126-L139 HydrophobicContact CG1-CD2 4.47Å; V126-L139 HydrophobicContact CG2-CD1 4.42Å; V126-L139 HydrophobicContact CG2-CD2 3.98Å; V126-I154 HydrophobicContact CG2-CG2 3.84Å; V126-N157 WeakPolarHBondContact O-CA 3.3Å; V126-N157 PolarHBondContact O-N 2.81Å; V126-D158 PolarHBondContact N-O 3.03Å; V126-V160 HydrophobicContact CG2-CG1 3.85Å; V126-V160 HydrophobicContact CG2-CG2 4.29Å
127K96.2Very high96.2Very high149 Ų14964.8 Ų64.865%0.64834%0.342SS*.EExtended strand (participates in β ladder)trans-89.3-42.4178.8-172.4179.2179.8-1760111.7V140K127-V140 WeakPolarHBondContact CB-O 3.36Å; K127-V140 PolarHBondContact N-O 3.34Å
128K95.6Very high96.2Very high97 Ų9759.5 Ų59.542%0.42232%0.317SS..EExtended strand (participates in β ladder)trans-156.1153.4176.661169.6-174.1159.60111L139 V140K128-L139 WeakPolarHBondContact O-CA 3.37Å; K128-V140 HydrophobicContact CG-CB 3.99Å; K128-V140 HydrophobicContact CG-CG2 4.21Å; K128-V140 PolarHBondContact N-O 3.33Å; K128-V140 PolarHBondContact O-N 3.09Å
129T95.5Very high96.3Very high69 Ų6958.6 Ų58.642%0.42331%0.313SS..EExtended strand (participates in β ladder)trans-113.4141.4169.2520000108.2V126 L139V126-T129 HydrophobicContact CG1-CG2 4.03Å; T129-L139 HydrophobicContact CG2-CB 4.05Å
130Q95Very high96.3Very high99 Ų9959.2 Ų59.246%0.46332%0.316SS..EExtended strand (participates in β ladder)trans-155.5154.1-176.8-169.8169.94.300110.8F138Q130-F138 HydrophobicContact CB-CE1 4.02Å; Q130-F138 HydrophobicContact CB-CE2 4.12Å; Q130-F138 HydrophobicContact CB-CZ 3.72Å; Q130-F138 HydrophobicContact CG-CE1 4.26Å; Q130-F138 HydrophobicContact CG-CZ 4.06Å; Q130-F138 PolarHBondContact N-O 3.32Å; Q130-F138 VanDerWaalsContact O-CD1 3.3Å; Q130-F138 WeakPolarHBondContact O-CD1 3.38Å; Q130-F138 PolarHBondContact O-N 3.39Å
131L96.1Very high96.3Very high120 Ų12052.8 Ų52.863%0.62829%0.288SS*.EExtended strand (participates in β ladder)trans-88.4129.9168.8-66.2169.2000109.9P137L131-P137 HydrophobicContact CD2-CB 4.03Å
132G95.1Very high96.3Very high28 Ų2852.9 Ų52.929%0.28929%0.29SS..  trans-90.7-172.8175.200000112.7G135 V136G132-G135 PolarHBondContact O-N 2.91Å; G132-G135 VanDerWaalsContact O-N 3.15Å; G132-V136 PolarHBondContact N-O 2.98Å
133A94.7Very high96.1Very high87 Ų8753 Ų5372%0.71929%0.291SS*.G310 helixtrans-54.4144171.200000110.8G135A133-G135 PolarHBondContact O-N 3.48Å
134K95.5Very high96Very high213 Ų21355.4 Ų55.493%0.92632%0.315SS*.G310 helixtrans62.623.6-174.7-49.3-177.9177.6-173.30114.4V136K134-V136 PolarHBondContact O-N 2.81Å
135G94Very high95.8Very high50 Ų5058.1 Ų58.152%0.51533%0.326SS..G310 helixtrans70.516.2176.900000114.5G132 A133 P137G132-G135 PolarHBondContact O-N 2.91Å; G132-G135 VanDerWaalsContact O-N 3.15Å; A133-G135 PolarHBondContact O-N 3.48Å; G135-P137 WeakPolarHBondContact O-CD 3.45Å
136V96.4Very high95.8Very high14 Ų1461.5 Ų61.59%0.08535%0.348CS..  trans-77.3118.4-1771770000110.5G132 K134 R148 Y149G132-V136 PolarHBondContact N-O 2.98Å; K134-V136 PolarHBondContact O-N 2.81Å; V136-R148 HydrophobicContact CG1-CB 4.47Å; V136-Y149 HydrophobicContact CB-CE1 4.45Å; V136-Y149 HydrophobicContact CG1-CD1 4.1Å; V136-Y149 HydrophobicContact CG1-CD2 4.47Å; V136-Y149 HydrophobicContact CG1-CE1 3.57Å; V136-Y149 HydrophobicContact CG1-CE2 4Å; V136-Y149 HydrophobicContact CG2-CE1 4.28Å
137P96.9Very high95.7Very high52 Ų5262.3 Ų62.334%0.33835%0.352SS..EExtended strand (participates in β ladder)trans-68.7138.3176.228.4-33.7000110.9L131 G135 Y149 P150L131-P137 HydrophobicContact CD2-CB 4.03Å; G135-P137 WeakPolarHBondContact O-CD 3.45Å; P137-Y149 PolarHBondContact O-N 2.96Å; P137-P150 WeakPolarHBondContact O-CD 3.4Å
138F96.8Very high95.6Very high36 Ų3662.1 Ų62.116%0.15835%0.347CS..EExtended strand (participates in β ladder)trans-142.7154.1171.870.8-90.7000111.2Q130 V140 T146 I147 R148Q130-F138 HydrophobicContact CB-CE1 4.02Å; Q130-F138 HydrophobicContact CB-CE2 4.12Å; Q130-F138 HydrophobicContact CB-CZ 3.72Å; Q130-F138 HydrophobicContact CG-CE1 4.26Å; Q130-F138 HydrophobicContact CG-CZ 4.06Å; Q130-F138 PolarHBondContact N-O 3.32Å; Q130-F138 VanDerWaalsContact O-CD1 3.3Å; Q130-F138 WeakPolarHBondContact O-CD1 3.38Å; Q130-F138 PolarHBondContact O-N 3.39Å; F138-V140 HydrophobicContact CD2-CG2 4.02Å; F138-V140 HydrophobicContact CE2-CG2 3.78Å; F138-T146 HydrophobicContact CB-CG2 3.97Å; F138-T146 HydrophobicContact CD2-CG2 3.58Å; F138-T146 HydrophobicContact CE2-CG2 4.34Å; F138-T146 HydrophobicContact CG-CG2 4Å; F138-I147 CarbonylContact C-O 3.57Å; F138-I147 VanDerWaalsContact CA-O 3.28Å; F138-I147 WeakPolarHBondContact CA-O 3.46Å; F138-R148 HydrophobicContact CB-CG 4.23Å
139L96.8Very high95.6Very high0 Ų065.2 Ų65.20%036%0.357CS..EExtended strand (participates in β ladder)trans-115.7152.2170.466.274.6000110.9V126 K128 T129 T141 T146 I147 P150 I154 V160 I169V126-L139 HydrophobicContact CG1-CB 4.1Å; V126-L139 HydrophobicContact CG1-CD2 4.47Å; V126-L139 HydrophobicContact CG2-CD1 4.42Å; V126-L139 HydrophobicContact CG2-CD2 3.98Å; K128-L139 WeakPolarHBondContact O-CA 3.37Å; T129-L139 HydrophobicContact CG2-CB 4.05Å; L139-T141 HydrophobicContact CD1-CG2 3.69Å; L139-T146 WeakPolarHBondContact O-CA 3.38Å; L139-I147 HydrophobicContact CD1-CB 3.87Å; L139-I147 HydrophobicContact CD1-CD1 4.19Å; L139-I147 HydrophobicContact CD1-CG1 4.12Å; L139-I147 HydrophobicContact CG-CB 4.2Å; L139-I147 PolarHBondContact N-O 2.83Å; L139-I147 PolarHBondContact O-N 3.32Å; L139-P150 HydrophobicContact CB-CG 4.4Å; L139-P150 HydrophobicContact CD2-CB 3.55Å; L139-P150 HydrophobicContact CD2-CG 4.2Å; L139-P150 HydrophobicContact CG-CB 4.08Å; L139-P150 HydrophobicContact CG-CG 4.33Å; L139-I154 HydrophobicContact CD2-CG2 3.84Å; L139-V160 HydrophobicContact CD2-CG1 4.37Å; L139-I169 HydrophobicContact CD2-CD1 3.9Å
140V97.3Very high95.6Very high24 Ų2462.9 Ų62.915%0.14534%0.343CS..EExtended strand (participates in β ladder)trans-115.2126.9174.2-178.30000108.5K127 K128 F138 R145K127-V140 WeakPolarHBondContact CB-O 3.36Å; K127-V140 PolarHBondContact N-O 3.34Å; K128-V140 HydrophobicContact CG-CB 3.99Å; K128-V140 HydrophobicContact CG-CG2 4.21Å; K128-V140 PolarHBondContact N-O 3.33Å; K128-V140 PolarHBondContact O-N 3.09Å; F138-V140 HydrophobicContact CD2-CG2 4.02Å; F138-V140 HydrophobicContact CE2-CG2 3.78Å; V140-R145 WeakPolarHBondContact CA-O 3.28Å
141T97.1Very high95.6Very high1 Ų161.4 Ų61.41%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-90.8167.8-179.957.10000112.3C124 K125 L139 D143 G144 R145 I147 V160C124-T141 HydrophobicContact CB-CG2 3.65Å; K125-T141 CarbonylContact O-C 3.59Å; K125-T141 VanDerWaalsContact O-CA 3.28Å; K125-T141 WeakPolarHBondContact O-CA 3.44Å; L139-T141 HydrophobicContact CD1-CG2 3.69Å; T141-D143 VanDerWaalsContact C-N 3.26Å; T141-D143 VanDerWaalsContact CB-OD1 3.23Å; T141-D143 WeakPolarHBondContact CB-OD1 3.13Å; T141-D143 PolarHBondContact O-N 3.32Å; T141-D143 PolarHBondContact OG1-OD1 2.99Å; T141-G144 PolarHBondContact O-N 2.83Å; T141-R145 PolarHBondContact N-O 3.24Å; T141-R145 WeakPolarHBondContact OG1-CB 3.49Å; T141-R145 PolarHBondContact OG1-N 2.76Å; T141-R145 VanDerWaalsContact OG1-N 3.11Å; T141-R145 PolarHBondContact OG1-O 2.82Å; T141-I147 HydrophobicContact CG2-CD1 4.38Å; T141-V160 HydrophobicContact CG2-CG2 4.28Å
142H96Very high95.5Very high52 Ų5261.4 Ų61.424%0.24135%0.346CS..THydrogen-bonded Turntrans-62.6-28.2178.476.9-66.9000114.3H36 Y86 K125 G144 F226H36-H142 AromaticContact CE1-NE2 3.9Å; Y86-H142 PolarHBondContact O-NE2 3.18Å; K125-H142 HydrophobicContact CB-CB 4.35Å; K125-H142 PolarHBondContact N-ND1 2.83Å; K125-H142 PolarHBondContact O-N 3.46Å; H142-G144 VanDerWaalsContact C-N 3.25Å; H142-F226 AromaticContact CE1-CE2 3.73Å; H142-F226 AromaticContact ND1-CE2 3.89Å; H142-F226 AromaticContact NE2-CE2 3.94Å
143D94Very high95.5Very high5 Ų563.9 Ų63.93%0.02735%0.352CS..THydrogen-bonded Turntrans-88.113.5173.669.1-30.6000112.5P35 K122 T141 R145P35-D143 HydrophobicContact CB-CB 4.38Å; P35-D143 VanDerWaalsContact CB-O 3.27Å; P35-D143 WeakPolarHBondContact CB-O 3.48Å; K122-D143 IonicContact NZ-OD2 2.75Å; K122-D143 PolarHBondContact NZ-OD2 2.83Å; T141-D143 VanDerWaalsContact C-N 3.26Å; T141-D143 VanDerWaalsContact CB-OD1 3.23Å; T141-D143 WeakPolarHBondContact CB-OD1 3.13Å; T141-D143 PolarHBondContact O-N 3.32Å; T141-D143 PolarHBondContact OG1-OD1 2.99Å; D143-R145 VanDerWaalsContact C-N 3.31Å; D143-R145 PolarHBondContact O-N 2.62Å; D143-R145 WeakPolarHBondContact OD2-CD 3.37Å; D143-R145 IonicContact OD2-NE 3.35Å; D143-R145 PolarHBondContact OD2-NE 2.86Å
144G93.4Very high95.6Very high50 Ų5060.1 Ų60.152%0.51532%0.32SS..SBendtrans7610.3171.800000115.5T141 H142T141-G144 PolarHBondContact O-N 2.83Å; H142-G144 VanDerWaalsContact C-N 3.25Å
145R94.7Very high95.6Very high59 Ų5955.2 Ų55.222%0.22330%0.3CS..  trans-73.9146.2171.5-57.8175.6-179.8-124.3-3.5110D73 V140 T141 D143D73-R145 VanDerWaalsContact CG-NH2 3.35Å; D73-R145 IonicContact OD2-CZ 3.53Å; D73-R145 IonicContact OD2-NH2 2.58Å; D73-R145 PolarHBondContact OD2-NH2 2.53Å; V140-R145 WeakPolarHBondContact CA-O 3.28Å; T141-R145 PolarHBondContact N-O 3.24Å; T141-R145 WeakPolarHBondContact OG1-CB 3.49Å; T141-R145 PolarHBondContact OG1-N 2.76Å; T141-R145 VanDerWaalsContact OG1-N 3.11Å; T141-R145 PolarHBondContact OG1-O 2.82Å; D143-R145 VanDerWaalsContact C-N 3.31Å; D143-R145 PolarHBondContact O-N 2.62Å; D143-R145 WeakPolarHBondContact OD2-CD 3.37Å; D143-R145 IonicContact OD2-NE 3.35Å; D143-R145 PolarHBondContact OD2-NE 2.86Å
146T96.6Very high95.7Very high86 Ų8654.8 Ų54.853%0.52829%0.291SS..EExtended strand (participates in β ladder)trans-109.9118.7170.1-60.30000108.5F138 L139F138-T146 HydrophobicContact CB-CG2 3.97Å; F138-T146 HydrophobicContact CD2-CG2 3.58Å; F138-T146 HydrophobicContact CE2-CG2 4.34Å; F138-T146 HydrophobicContact CG-CG2 4Å; L139-T146 WeakPolarHBondContact O-CA 3.38Å
147I96Very high95.6Very high17 Ų1755.9 Ų55.99%0.08730%0.297CS..EExtended strand (participates in β ladder)trans-110.8121.9177.3-52.6179000107.9F138 L139 T141 V162 I169F138-I147 CarbonylContact C-O 3.57Å; F138-I147 VanDerWaalsContact CA-O 3.28Å; F138-I147 WeakPolarHBondContact CA-O 3.46Å; L139-I147 HydrophobicContact CD1-CB 3.87Å; L139-I147 HydrophobicContact CD1-CD1 4.19Å; L139-I147 HydrophobicContact CD1-CG1 4.12Å; L139-I147 HydrophobicContact CG-CB 4.2Å; L139-I147 PolarHBondContact N-O 2.83Å; L139-I147 PolarHBondContact O-N 3.32Å; T141-I147 HydrophobicContact CG2-CD1 4.38Å; I147-V162 HydrophobicContact CD1-CG1 4.44Å; I147-V162 HydrophobicContact CD1-CG2 3.71Å; I147-I169 HydrophobicContact CB-CD1 4.32Å; I147-I169 HydrophobicContact CD1-CD1 4.12Å; I147-I169 HydrophobicContact CD1-CG1 3.79Å; I147-I169 HydrophobicContact CG2-CD1 3.78Å; I147-I169 HydrophobicContact CG2-CG1 4.03Å
148R95Very high95.7Very high146 Ų14653.8 Ų53.855%0.55128%0.283SS*.EExtended strand (participates in β ladder)trans-91.5153.9-178.9-60179.970.31652.9110.2V136 F138V136-R148 HydrophobicContact CG1-CB 4.47Å; F138-R148 HydrophobicContact CB-CG 4.23Å
149Y95.1Very high95.7Very high161 Ų16152.1 Ų52.163%0.63128%0.275SS*.SBendtrans54.551.4-177.6-51.2-76.9000113.3V136 P137V136-Y149 HydrophobicContact CB-CE1 4.45Å; V136-Y149 HydrophobicContact CG1-CD1 4.1Å; V136-Y149 HydrophobicContact CG1-CD2 4.47Å; V136-Y149 HydrophobicContact CG1-CE1 3.57Å; V136-Y149 HydrophobicContact CG1-CE2 4Å; V136-Y149 HydrophobicContact CG2-CE1 4.28Å; P137-Y149 PolarHBondContact O-N 2.96Å
150P95.8Very high95.7Very high20 Ų2052.1 Ų52.113%0.1328%0.275CS..  trans-68.7157.3171.133.4-35.5000110.8P137 L139 I154 I169P137-P150 WeakPolarHBondContact O-CD 3.4Å; L139-P150 HydrophobicContact CB-CG 4.4Å; L139-P150 HydrophobicContact CD2-CB 3.55Å; L139-P150 HydrophobicContact CD2-CG 4.2Å; L139-P150 HydrophobicContact CG-CB 4.08Å; L139-P150 HydrophobicContact CG-CG 4.33Å; P150-I154 HydrophobicContact CB-CD1 4.36Å; P150-I169 HydrophobicContact CB-CD1 4.36Å
151D94.5Very high95.7Very high68 Ų6852.4 Ų52.436%0.36428%0.275SS..  trans-57.1132169.3-173-44.5000109.8L153 I154D151-L153 PolarHBondContact O-N 2.84Å; D151-L153 VanDerWaalsContact OD1-CB 3.28Å; D151-L153 WeakPolarHBondContact OD1-CB 3.38Å; D151-L153 WeakPolarHBondContact OD1-CG 3.24Å; D151-L153 PolarHBondContact OD1-N 3.46Å; D151-I154 HydrophobicContact CB-CD1 3.84Å; D151-I154 HydrophobicContact CB-CG1 4.08Å; D151-I154 WeakPolarHBondContact O-CB 3.45Å; D151-I154 PolarHBondContact O-N 2.89Å
152P94.6Very high95.7Very high120 Ų12052.4 Ų52.478%0.77928%0.275SS*.THydrogen-bonded Turntrans-55-22.1177.9-25.934.6000114.8I154P152-I154 VanDerWaalsContact C-N 3.26Å; P152-I154 PolarHBondContact O-N 2.75Å
153L95Very high95.7Very high81 Ų8151.7 Ų51.742%0.42427%0.273SS..THydrogen-bonded Turntrans-75.6-12.7179-63.1172.4000113.5D151 H155 Y172D151-L153 PolarHBondContact O-N 2.84Å; D151-L153 VanDerWaalsContact OD1-CB 3.28Å; D151-L153 WeakPolarHBondContact OD1-CB 3.38Å; D151-L153 WeakPolarHBondContact OD1-CG 3.24Å; D151-L153 PolarHBondContact OD1-N 3.46Å; L153-H155 PolarHBondContact O-CE1 2.91Å; L153-H155 PolarHBondContact O-ND1 2.88Å; L153-Y172 HydrophobicContact CB-CE2 4.33Å; L153-Y172 WeakPolarHBondContact CB-OH 3.44Å; L153-Y172 VanDerWaalsContact CD1-OH 3.24Å; L153-Y172 WeakPolarHBondContact CD1-OH 3.3Å
154I96.4Very high95.8Very high8 Ų852.5 Ų52.54%0.04128%0.277CS..  trans-83.8119.9-178.3-60.6169.1000110.2V126 L139 P150 D151 P152 D158 V160 I169 Y172V126-I154 HydrophobicContact CG2-CG2 3.84Å; L139-I154 HydrophobicContact CD2-CG2 3.84Å; P150-I154 HydrophobicContact CB-CD1 4.36Å; D151-I154 HydrophobicContact CB-CD1 3.84Å; D151-I154 HydrophobicContact CB-CG1 4.08Å; D151-I154 WeakPolarHBondContact O-CB 3.45Å; D151-I154 PolarHBondContact O-N 2.89Å; P152-I154 VanDerWaalsContact C-N 3.26Å; P152-I154 PolarHBondContact O-N 2.75Å; I154-D158 HydrophobicContact CG2-CB 4.47Å; I154-V160 HydrophobicContact CD1-CG1 3.98Å; I154-V160 HydrophobicContact CG2-CG1 3.9Å; I154-I169 HydrophobicContact CD1-CD1 4.2Å; I154-I169 HydrophobicContact CD1-CG2 4.46Å; I154-Y172 HydrophobicContact CD1-CD1 4.16Å; I154-Y172 HydrophobicContact CD1-CG 4.12Å; I154-Y172 HydrophobicContact CG1-CD1 3.99Å; I154-Y172 HydrophobicContact CG1-CD2 3.95Å; I154-Y172 HydrophobicContact CG1-CE2 4.48Å; I154-Y172 HydrophobicContact CG1-CG 3.69Å
155H95.2Very high95.9Very high109 Ų10954.6 Ų54.651%0.50529%0.29SS..  trans-113172.9-178.9-66.580.7000112.4L153 D158L153-H155 PolarHBondContact O-CE1 2.91Å; L153-H155 PolarHBondContact O-ND1 2.88Å; H155-D158 PolarHBondContact N-OD2 2.89Å; H155-D158 WeakPolarHBondContact O-CB 3.41Å; H155-D158 PolarHBondContact O-N 3.15Å
156A95.3Very high95.9Very high41 Ų4155 Ų5534%0.33930%0.301SS..THydrogen-bonded Turntrans-63.4140.7174.100000111.2D158A156-D158 VanDerWaalsContact C-N 3.27Å
157N96.3Very high95.7Very high38 Ų3852.2 Ų52.220%0.20329%0.29CS..THydrogen-bonded Turntrans76.8-6.5-173.8-50.9-73.6000116.8K125 V126 F175K125-N157 WeakPolarHBondContact CE-OD1 3.41Å; K125-N157 PolarHBondContact NZ-OD1 3.38Å; V126-N157 WeakPolarHBondContact O-CA 3.3Å; V126-N157 PolarHBondContact O-N 2.81Å; N157-F175 HydrophobicContact CB-CB 4.4Å; N157-F175 HydrophobicContact CB-CD2 4.36Å; N157-F175 HydrophobicContact CB-CG 4.36Å
158D97Very high95.7Very high8 Ų858.6 Ų58.64%0.04332%0.317CS..  trans-66.2160167.7-65.2-12.1000110.5K125 V126 I154 H155 A156 I173 K174 F175K125-D158 CarbonylContact C-O 3.47Å; K125-D158 WeakPolarHBondContact CA-O 3.4Å; V126-D158 PolarHBondContact N-O 3.03Å; I154-D158 HydrophobicContact CG2-CB 4.47Å; H155-D158 PolarHBondContact N-OD2 2.89Å; H155-D158 WeakPolarHBondContact O-CB 3.41Å; H155-D158 PolarHBondContact O-N 3.15Å; A156-D158 VanDerWaalsContact C-N 3.27Å; D158-I173 WeakPolarHBondContact CB-O 3.32Å; D158-K174 WeakPolarHBondContact OD1-CA 3.28Å; D158-F175 WeakPolarHBondContact OD1-CB 3.21Å; D158-F175 PolarHBondContact OD1-N 2.79Å
159S97.4Very high95.8Very high0 Ų053.8 Ų53.80%030%0.302CS..EExtended strand (participates in β ladder)trans-107.5131.7172.6-72.50000110Y172 I173 I227S159-Y172 CarbonylContact O-C 3.56Å; S159-Y172 WeakPolarHBondContact O-CA 3.42Å; S159-I173 PolarHBondContact N-O 2.79Å; S159-I173 PolarHBondContact O-N 2.61Å; S159-I227 WeakPolarHBondContact CB-O 3.39Å; S159-I227 PolarHBondContact OG-N 2.97Å; S159-I227 PolarHBondContact OG-O 3.44Å
160V97.1Very high95.8Very high0 Ų050.1 Ų50.10%030%0.297CS..EExtended strand (participates in β ladder)trans-106.4137.2173.6-65.90000109.9L123 C124 V126 L139 T141 I154 V162 I169L123-V160 CarbonylContact C-O 3.6Å; L123-V160 WeakPolarHBondContact CA-O 3.49Å; C124-V160 HydrophobicContact CB-CG2 4Å; C124-V160 PolarHBondContact N-O 3.14Å; C124-V160 VanDerWaalsContact O-CG2 3.24Å; C124-V160 WeakPolarHBondContact O-CG2 3.43Å; C124-V160 PolarHBondContact O-N 3.14Å; V126-V160 HydrophobicContact CG2-CG1 3.85Å; V126-V160 HydrophobicContact CG2-CG2 4.29Å; L139-V160 HydrophobicContact CD2-CG1 4.37Å; T141-V160 HydrophobicContact CG2-CG2 4.28Å; I154-V160 HydrophobicContact CD1-CG1 3.98Å; I154-V160 HydrophobicContact CG2-CG1 3.9Å; V160-V162 HydrophobicContact CG2-CG2 3.91Å; V160-I169 HydrophobicContact CB-CD1 4.37Å; V160-I169 HydrophobicContact CB-CG1 4.17Å; V160-I169 HydrophobicContact CB-CG2 4.12Å; V160-I169 HydrophobicContact CG1-CD1 4.14Å; V160-I169 HydrophobicContact CG1-CG1 4.45Å; V160-I169 HydrophobicContact CG1-CG2 4.3Å; V160-I169 HydrophobicContact CG2-CG1 4.41Å
161Q96.9Very high95.8Very high30 Ų3051.4 Ų51.414%0.1430%0.303CS..EExtended strand (participates in β ladder)trans-85.4118.2167.1-170.6-179.31800107.9Y121 L123 I169 T170 D171Y121-Q161 HydrophobicContact CD2-CG 3.78Å; Y121-Q161 HydrophobicContact CG-CG 4.08Å; L123-Q161 HydrophobicContact CD2-CB 3.9Å; L123-Q161 HydrophobicContact CD2-CG 4.14Å; Q161-I169 CarbonylContact O-C 3.34Å; Q161-I169 WeakPolarHBondContact O-CA 3.28Å; Q161-T170 WeakPolarHBondContact CG-OG1 3.32Å; Q161-T170 PolarHBondContact O-N 3.22Å; Q161-T170 PolarHBondContact O-OG1 2.8Å; Q161-T170 PolarHBondContact OE1-OG1 3.03Å; Q161-D171 HydrophobicContact CB-CB 4.33Å; Q161-D171 PolarHBondContact N-O 3.35Å
162V97.2Very high95.9Very high2 Ų250.6 Ų50.61%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-108125.9-179.5-177.90000108.1Y121 K122 C124 I147 V160 I164 K168Y121-V162 CarbonylContact C-O 3.57Å; Y121-V162 VanDerWaalsContact CA-O 3.28Å; Y121-V162 WeakPolarHBondContact CA-O 3.41Å; K122-V162 PolarHBondContact N-O 3.19Å; K122-V162 PolarHBondContact O-N 2.96Å; C124-V162 HydrophobicContact CB-CG2 4.25Å; I147-V162 HydrophobicContact CD1-CG1 4.44Å; I147-V162 HydrophobicContact CD1-CG2 3.71Å; V160-V162 HydrophobicContact CG2-CG2 3.91Å; V162-I164 PolarHBondContact O-N 2.96Å; V162-K168 WeakPolarHBondContact CA-O 3.38Å
163D96.9Very high95.9Very high37 Ų3744.9 Ų44.920%0.19826%0.258CS..EExtended strand (participates in β ladder)trans-71125.8167.2170.451.9000109.1A165 S166 G167 K168 T170D163-A165 VanDerWaalsContact C-N 3.32Å; D163-A165 PolarHBondContact O-N 2.88Å; D163-S166 WeakPolarHBondContact CB-OG 3.32Å; D163-S166 WeakPolarHBondContact OD2-CB 3.46Å; D163-S166 PolarHBondContact OD2-N 3.28Å; D163-S166 PolarHBondContact OD2-OG 2.79Å; D163-G167 WeakPolarHBondContact O-CA 3.33Å; D163-G167 PolarHBondContact O-N 2.87Å; D163-K168 PolarHBondContact N-O 3.23Å; D163-T170 HydrophobicContact CB-CG2 3.71Å
164I95.8Very high96Very high21 Ų2145.4 Ų45.411%0.10826%0.256CS..THydrogen-bonded Turntrans-71.2-32.7-172-66.9-177.4000110.9D73 V89 A119 K120 K122 V162D73-I164 HydrophobicContact CB-CG2 4.26Å; D73-I164 WeakPolarHBondContact O-CG2 3.49Å; V89-I164 HydrophobicContact CB-CD1 3.84Å; V89-I164 HydrophobicContact CG1-CD1 4.46Å; V89-I164 HydrophobicContact CG2-CD1 3.79Å; A119-I164 WeakPolarHBondContact O-CD1 3.18Å; K120-I164 VanDerWaalsContact O-CB 3.27Å; K120-I164 WeakPolarHBondContact O-CB 3.45Å; K120-I164 WeakPolarHBondContact O-CG1 3.27Å; K120-I164 PolarHBondContact O-N 3.21Å; K122-I164 HydrophobicContact CB-CD1 4.08Å; K122-I164 HydrophobicContact CB-CG1 4.12Å; V162-I164 PolarHBondContact O-N 2.96Å
165A95.1Very high95.9Very high95 Ų9546.5 Ų46.579%0.78526%0.261SS*.THydrogen-bonded Turntrans-72-52.6-178.500000111.9D163D163-A165 VanDerWaalsContact C-N 3.32Å; D163-A165 PolarHBondContact O-N 2.88Å
166S94.7Very high95.8Very high66 Ų6645.9 Ų45.946%0.46226%0.262SS..THydrogen-bonded Turntrans-82.6-23.7-179.466.30000113.7D163 K168D163-S166 WeakPolarHBondContact CB-OG 3.32Å; D163-S166 WeakPolarHBondContact OD2-CB 3.46Å; D163-S166 PolarHBondContact OD2-N 3.28Å; D163-S166 PolarHBondContact OD2-OG 2.79Å; S166-K168 PolarHBondContact O-N 3.44Å; S166-K168 PolarHBondContact OG-N 3.21Å
167G93.4Very high95.8Very high29 Ų2947 Ų4730%0.29927%0.267SS..  trans69.49.8-171.300000114.1D163D163-G167 WeakPolarHBondContact O-CA 3.33Å; D163-G167 PolarHBondContact O-N 2.87Å
168K95.3Very high95.7Very high150 Ų15047.1 Ų47.165%0.65228%0.277SS*.  trans-91.7158.1178.6-63.3-176.2-179.2-179.50111.2V162 D163 S166V162-K168 WeakPolarHBondContact CA-O 3.38Å; D163-K168 PolarHBondContact N-O 3.23Å; S166-K168 PolarHBondContact O-N 3.44Å; S166-K168 PolarHBondContact OG-N 3.21Å
169I96.2Very high95.7Very high45 Ų4547.9 Ų47.923%0.23128%0.281CS..EExtended strand (participates in β ladder)trans-78.6129.3174.4-63.1162.6000108.3L139 I147 P150 I154 V160 Q161 D171L139-I169 HydrophobicContact CD2-CD1 3.9Å; I147-I169 HydrophobicContact CB-CD1 4.32Å; I147-I169 HydrophobicContact CD1-CD1 4.12Å; I147-I169 HydrophobicContact CD1-CG1 3.79Å; I147-I169 HydrophobicContact CG2-CD1 3.78Å; I147-I169 HydrophobicContact CG2-CG1 4.03Å; P150-I169 HydrophobicContact CB-CD1 4.36Å; I154-I169 HydrophobicContact CD1-CD1 4.2Å; I154-I169 HydrophobicContact CD1-CG2 4.46Å; V160-I169 HydrophobicContact CB-CD1 4.37Å; V160-I169 HydrophobicContact CB-CG1 4.17Å; V160-I169 HydrophobicContact CB-CG2 4.12Å; V160-I169 HydrophobicContact CG1-CD1 4.14Å; V160-I169 HydrophobicContact CG1-CG1 4.45Å; V160-I169 HydrophobicContact CG1-CG2 4.3Å; V160-I169 HydrophobicContact CG2-CG1 4.41Å; Q161-I169 CarbonylContact O-C 3.34Å; Q161-I169 WeakPolarHBondContact O-CA 3.28Å; I169-D171 WeakPolarHBondContact CG2-O 3.34Å
170T95.5Very high95.7Very high85 Ų8548.7 Ų48.752%0.52129%0.285SS..EExtended strand (participates in β ladder)trans-98.7-39.4176.255.50000112.3Q161 D163Q161-T170 WeakPolarHBondContact CG-OG1 3.32Å; Q161-T170 PolarHBondContact O-N 3.22Å; Q161-T170 PolarHBondContact O-OG1 2.8Å; Q161-T170 PolarHBondContact OE1-OG1 3.03Å; D163-T170 HydrophobicContact CB-CG2 3.71Å
171D95.7Very high95.7Very high47 Ų4748.7 Ų48.725%0.25129%0.285SS..EExtended strand (participates in β ladder)trans-151.8166.1178.5-168.17.8000108.9Q161 I169 K230 Y235Q161-D171 HydrophobicContact CB-CB 4.33Å; Q161-D171 PolarHBondContact N-O 3.35Å; I169-D171 WeakPolarHBondContact CG2-O 3.34Å; D171-K230 IonicContact OD1-NZ 3.02Å; D171-K230 PolarHBondContact OD1-NZ 2.79Å; D171-K230 IonicContact OD2-NZ 3Å; D171-K230 PolarHBondContact OD2-NZ 3.47Å; D171-Y235 HydrophobicContact CB-CE1 4.41Å; D171-Y235 VanDerWaalsContact OD2-CE1 3.32Å; D171-Y235 WeakPolarHBondContact OD2-CE1 3.27Å; D171-Y235 PolarHBondContact OD2-OH 3.36Å
172Y96.2Very high95.7Very high50 Ų5047.3 Ų47.320%0.19628%0.278CS..EExtended strand (participates in β ladder)trans-138.5158.4174.769.9-85.8000111.7L153 I154 S159 K174 K230L153-Y172 HydrophobicContact CB-CE2 4.33Å; L153-Y172 WeakPolarHBondContact CB-OH 3.44Å; L153-Y172 VanDerWaalsContact CD1-OH 3.24Å; L153-Y172 WeakPolarHBondContact CD1-OH 3.3Å; I154-Y172 HydrophobicContact CD1-CD1 4.16Å; I154-Y172 HydrophobicContact CD1-CG 4.12Å; I154-Y172 HydrophobicContact CG1-CD1 3.99Å; I154-Y172 HydrophobicContact CG1-CD2 3.95Å; I154-Y172 HydrophobicContact CG1-CE2 4.48Å; I154-Y172 HydrophobicContact CG1-CG 3.69Å; S159-Y172 CarbonylContact O-C 3.56Å; S159-Y172 WeakPolarHBondContact O-CA 3.42Å; Y172-K174 HydrophobicContact CD2-CG 4.31Å; Y172-K174 HydrophobicContact CE2-CG 3.98Å; Y172-K230 WeakPolarHBondContact O-CE 3.16Å; Y172-K230 PolarHBondContact O-NZ 3.2Å; Y172-K230 VanDerWaalsContact O-NZ 3.15Å
173I96.4Very high95.7Very high0 Ų047.2 Ų47.20%028%0.278CS..EExtended strand (participates in β ladder)trans-129.9116.1-178.6-44.5173.7000107.7D158 S159 I227 K230 Y235D158-I173 WeakPolarHBondContact CB-O 3.32Å; S159-I173 PolarHBondContact N-O 2.79Å; S159-I173 PolarHBondContact O-N 2.61Å; I173-I227 HydrophobicContact CB-CG2 4Å; I173-I227 HydrophobicContact CG2-CG2 3.4Å; I173-K230 HydrophobicContact CG1-CG 4.41Å; I173-K230 HydrophobicContact CG2-CG 3.76Å; I173-Y235 HydrophobicContact CD1-CD1 4.06Å; I173-Y235 HydrophobicContact CD1-CD2 3.71Å; I173-Y235 HydrophobicContact CD1-CE1 4.25Å; I173-Y235 HydrophobicContact CD1-CE2 3.92Å; I173-Y235 HydrophobicContact CD1-CG 3.79Å; I173-Y235 HydrophobicContact CG1-CE1 4.38Å; I173-Y235 HydrophobicContact CG1-CE2 4.31Å
174K95.8Very high95.7Very high92 Ų9246.8 Ų46.840%0.428%0.277SS..  trans-67.4142.4178.3-71.4-172.5176.9-179.40111.4D158 Y172 D176 N179D158-K174 WeakPolarHBondContact OD1-CA 3.28Å; Y172-K174 HydrophobicContact CD2-CG 4.31Å; Y172-K174 HydrophobicContact CE2-CG 3.98Å; K174-D176 VanDerWaalsContact C-N 3.35Å; K174-D176 PolarHBondContact O-N 2.77Å; K174-N179 PolarHBondContact O-ND2 2.51Å
175F95.7Very high95.6Very high32 Ų3246.5 Ų46.514%0.1428%0.279CS..  trans-72.193164.3-174.5-85000108.6N157 D158 V195 V208 L222 V225 I227N157-F175 HydrophobicContact CB-CB 4.4Å; N157-F175 HydrophobicContact CB-CD2 4.36Å; N157-F175 HydrophobicContact CB-CG 4.36Å; D158-F175 WeakPolarHBondContact OD1-CB 3.21Å; D158-F175 PolarHBondContact OD1-N 2.79Å; F175-V195 HydrophobicContact CZ-CG1 4.47Å; F175-V208 HydrophobicContact CZ-CG1 4.16Å; F175-V208 HydrophobicContact CZ-CG2 3.9Å; F175-L222 HydrophobicContact CD1-CD1 4.25Å; F175-L222 HydrophobicContact CD2-CD1 4.27Å; F175-L222 HydrophobicContact CE1-CD1 3.65Å; F175-L222 HydrophobicContact CE2-CD1 3.64Å; F175-L222 HydrophobicContact CZ-CD1 3.31Å; F175-V225 HydrophobicContact CE2-CB 4.07Å; F175-V225 HydrophobicContact CE2-CG1 3.75Å; F175-I227 HydrophobicContact CB-CG1 4.29Å; F175-I227 HydrophobicContact CD2-CD1 3.61Å; F175-I227 HydrophobicContact CD2-CG1 3.69Å; F175-I227 HydrophobicContact CE2-CD1 3.97Å; F175-I227 HydrophobicContact CE2-CG1 4.47Å; F175-I227 HydrophobicContact CG-CD1 4.48Å; F175-I227 HydrophobicContact CG-CG1 4.42Å
176D93Very high95.6Very high96 Ų9644.7 Ų44.751%0.51327%0.269SS..  trans-139.5161.5179.5-157.41.7000110.8K174 N179K174-D176 VanDerWaalsContact C-N 3.35Å; K174-D176 PolarHBondContact O-N 2.77Å; D176-N179 PolarHBondContact O-N 3.11Å
177S94Very high95.6Very high65 Ų6552.3 Ų52.346%0.45529%0.288SS..THydrogen-bonded Turntrans-64143.4175.4-52.50000109.9N179S177-N179 VanDerWaalsContact C-N 3.31Å; S177-N179 PolarHBondContact O-N 2.95Å
178G95.2Very high95.7Very high39 Ų3952.1 Ų52.140%0.40228%0.28SS..THydrogen-bonded Turntrans87.4-15.5-175.800000115V195 G231G178-V195 PolarHBondContact N-O 3.49Å; G178-G231 WeakPolarHBondContact O-CA 3.45Å
179N96.5Very high95.8Very high25 Ų2546.4 Ų46.413%0.13426%0.257CS..  trans-79.4148176.8-75-22.9000112.8K174 D176 S177 T194 V195 I227 G229 K230 G231K174-N179 PolarHBondContact O-ND2 2.51Å; D176-N179 PolarHBondContact O-N 3.11Å; S177-N179 VanDerWaalsContact C-N 3.31Å; S177-N179 PolarHBondContact O-N 2.95Å; N179-T194 WeakPolarHBondContact O-CA 3.44Å; N179-V195 PolarHBondContact O-N 3.01Å; N179-I227 HydrophobicContact CB-CG2 4.21Å; N179-G229 WeakPolarHBondContact CB-O 3.41Å; N179-K230 WeakPolarHBondContact OD1-CA 3.23Å; N179-G231 PolarHBondContact OD1-N 3.11Å
180L96.7Very high95.7Very high17 Ų1744.3 Ų44.39%0.08925%0.246CC..EExtended strand (participates in β ladder)trans-77134.1179.6-164.772.7000110.7V192 T194 I228 G229 G231 P234L180-V192 HydrophobicContact CD1-CG1 3.77Å; L180-V192 HydrophobicContact CD2-CG1 4.07Å; L180-V192 HydrophobicContact CG-CG1 3.88Å; L180-T194 HydrophobicContact CD1-CG2 4.12Å; L180-I228 HydrophobicContact CB-CG1 4.21Å; L180-I228 HydrophobicContact CD2-CD1 3.71Å; L180-I228 HydrophobicContact CD2-CG1 3.96Å; L180-I228 HydrophobicContact CG-CD1 4Å; L180-I228 HydrophobicContact CG-CG1 3.95Å; L180-I228 WeakPolarHBondContact O-CG1 3.34Å; L180-I228 PolarHBondContact O-N 2.85Å; L180-G229 PolarHBondContact N-O 2.92Å; L180-G229 PolarHBondContact O-N 2.78Å; L180-G231 WeakPolarHBondContact CB-O 3.37Å; L180-G231 PolarHBondContact N-O 2.83Å; L180-P234 HydrophobicContact CD2-CB 3.8Å; L180-P234 HydrophobicContact CD2-CG 4.45Å
181C96.9Very high95.8Very high0 Ų041.3 Ų41.30%023%0.225CC..EExtended strand (participates in β ladder)trans-132.4153.1179.273.60000112.3V192 G193 V195 V225 F226 I227C181-V192 VanDerWaalsContact O-CA 3.29Å; C181-V192 WeakPolarHBondContact O-CA 3.22Å; C181-G193 PolarHBondContact N-O 3.23Å; C181-G193 PolarHBondContact O-N 3.37Å; C181-G193 PolarHBondContact SG-O 3.39Å; C181-V195 HydrophobicContact CB-CG2 4.06Å; C181-V225 HydrophobicContact CB-CG1 3.55Å; C181-F226 CarbonylContact C-O 3.59Å; C181-F226 WeakPolarHBondContact CA-O 3.28Å; C181-F226 WeakPolarHBondContact CB-O 3.43Å; C181-I227 HydrophobicContact CB-CD1 3.8Å
182M97.1Very high95.9Very high0 Ų039.4 Ų39.40%022%0.215CC..EExtended strand (participates in β ladder)trans-114.7143.7167.2-178.7174.6-94.700109.5Y86 V102 R191 V192 F226 I228 L238Y86-M182 HydrophobicContact CE2-SD 3.65Å; Y86-M182 WeakPolarHBondContact OH-CB 3.16Å; Y86-M182 PolarHBondContact OH-SD 2.58Å; V102-M182 HydrophobicContact CG1-CE 3.6Å; V102-M182 HydrophobicContact CG1-SD 3.49Å; V102-M182 WeakPolarHBondContact CG1-SD 3.37Å; M182-R191 WeakPolarHBondContact CA-O 3.4Å; M182-V192 HydrophobicContact CB-CG2 4.02Å; M182-V192 HydrophobicContact CE-CG2 3.38Å; M182-V192 HydrophobicContact CG-CG2 4.03Å; M182-F226 PolarHBondContact N-O 3.02Å; M182-F226 WeakPolarHBondContact O-CB 3.27Å; M182-F226 PolarHBondContact O-N 3.01Å; M182-I228 HydrophobicContact CB-CD1 4.26Å; M182-I228 HydrophobicContact CB-CG2 4.07Å; M182-L238 HydrophobicContact CE-CD2 4.43Å
183I97.4Very high95.9Very high1 Ų137.2 Ų37.21%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-87.2129.6177.3-52.8-49.5000111.4G185 N188 G190 R191 I210 F218 T220 N224 V225I183-G185 WeakPolarHBondContact CG2-O 3.33Å; I183-N188 VanDerWaalsContact CB-O 3.25Å; I183-N188 WeakPolarHBondContact CB-O 3.35Å; I183-N188 HydrophobicContact CG1-CB 4.42Å; I183-N188 HydrophobicContact CG2-CB 4.29Å; I183-N188 WeakPolarHBondContact CG2-O 3.41Å; I183-G190 PolarHBondContact O-N 3.41Å; I183-R191 HydrophobicContact CG1-CB 4.38Å; I183-R191 PolarHBondContact N-O 3.41Å; I183-I210 HydrophobicContact CD1-CD1 3.34Å; I183-I210 HydrophobicContact CG1-CD1 4.48Å; I183-F218 HydrophobicContact CD1-CE2 4.11Å; I183-F218 HydrophobicContact CG1-CE2 3.75Å; I183-F218 HydrophobicContact CG1-CZ 4.33Å; I183-T220 HydrophobicContact CD1-CG2 3.64Å; I183-N224 CarbonylContact C-O 3.53Å; I183-N224 WeakPolarHBondContact CA-O 3.21Å; I183-N224 HydrophobicContact CG2-CB 4.35Å; I183-V225 HydrophobicContact CD1-CG2 4.37Å
184T96.6Very high95.9Very high28 Ų2838.8 Ų38.817%0.17222%0.217CC..  trans-108.5-1.4-177.459.20000114.4Y86 Y103 L189 N224 F226Y86-T184 HydrophobicContact CD1-CG2 3.67Å; Y86-T184 HydrophobicContact CD2-CG2 4.43Å; Y86-T184 HydrophobicContact CE1-CG2 3.47Å; Y86-T184 VanDerWaalsContact CE1-CG2 3.47Å; Y86-T184 HydrophobicContact CE2-CG2 4.25Å; Y86-T184 HydrophobicContact CG-CG2 4.17Å; Y103-T184 HydrophobicContact CE2-CG2 4.42Å; T184-L189 WeakPolarHBondContact O-CD1 3.33Å; T184-N224 PolarHBondContact N-O 3.41Å; T184-N224 PolarHBondContact OG1-O 3.5Å; T184-N224 VanDerWaalsContact OG1-O 3.09Å; T184-F226 HydrophobicContact CG2-CB 3.66Å; T184-F226 HydrophobicContact CG2-CD2 4.21Å; T184-F226 HydrophobicContact CG2-CG 4.26Å
185G95.3Very high96Very high14 Ų1434.6 Ų34.614%0.14420%0.199CC..SBendtrans-156.916517800000114.6I183 N224I183-G185 WeakPolarHBondContact CG2-O 3.33Å; G185-N224 PolarHBondContact O-ND2 2.68Å
186G94.6Very high96Very high57 Ų5736.6 Ų36.659%0.58821%0.214SC*.SBendtrans78.9-165.8176.500000114.8N188 L189G186-N188 PolarHBondContact O-N 3.32Å; G186-L189 WeakPolarHBondContact O-CB 3.19Å; G186-L189 PolarHBondContact O-N 3.36Å
187R94.4Very high96.1Very high226 Ų22636.3 Ų36.385%0.85321%0.212SC*.THydrogen-bonded Turntrans-64.7-26.7-175.8-179.6175.5174.7163.9-1.1113.7
188N96.2Very high96.1Very high26 Ų2637 Ų3714%0.13921%0.205CC..THydrogen-bonded Turntrans-94.714.1-177.5-69.3-40.7000113.1I183 G186 G190 R191 F218 A219I183-N188 VanDerWaalsContact CB-O 3.25Å; I183-N188 WeakPolarHBondContact CB-O 3.35Å; I183-N188 HydrophobicContact CG1-CB 4.42Å; I183-N188 HydrophobicContact CG2-CB 4.29Å; I183-N188 WeakPolarHBondContact CG2-O 3.41Å; G186-N188 PolarHBondContact O-N 3.32Å; N188-G190 PolarHBondContact O-N 2.98Å; N188-R191 VanDerWaalsContact O-CB 3.32Å; N188-R191 WeakPolarHBondContact O-CB 3.33Å; N188-R191 WeakPolarHBondContact O-CG 3.44Å; N188-R191 PolarHBondContact O-N 3.29Å; N188-R191 VanDerWaalsContact O-N 3.14Å; N188-R191 PolarHBondContact OD1-NH1 3.26Å; N188-F218 HydrophobicContact CB-CD2 3.85Å; N188-F218 HydrophobicContact CB-CE2 4.07Å; N188-A219 PolarHBondContact ND2-O 3.36Å
189L95.8Very high96.1Very high30 Ų3039.3 Ų39.316%0.15721%0.205CC..THydrogen-bonded Turntrans-49.6131.9-179.8-177.664000112.9Y103 G107 T184 G186 R191Y103-L189 HydrophobicContact CD1-CD1 4.07Å; Y103-L189 HydrophobicContact CD1-CD2 4.21Å; Y103-L189 HydrophobicContact CD1-CG 4.22Å; Y103-L189 HydrophobicContact CD2-CD1 3.64Å; Y103-L189 HydrophobicContact CE1-CD1 4.23Å; Y103-L189 HydrophobicContact CE1-CD2 4.29Å; Y103-L189 HydrophobicContact CE2-CD1 3.83Å; Y103-L189 HydrophobicContact CG-CD1 3.77Å; Y103-L189 HydrophobicContact CG-CG 4.16Å; G107-L189 WeakPolarHBondContact O-CD2 3.38Å; T184-L189 WeakPolarHBondContact O-CD1 3.33Å; G186-L189 WeakPolarHBondContact O-CB 3.19Å; G186-L189 PolarHBondContact O-N 3.36Å; L189-R191 VanDerWaalsContact C-N 3.25Å; L189-R191 PolarHBondContact O-N 3.47Å
190G95.9Very high96Very high0 Ų046.4 Ų46.40%023%0.23CC..THydrogen-bonded Turntrans78.6-1.8178.900000115.4D104 I183 N188D104-G190 WeakPolarHBondContact O-CA 3.37Å; I183-G190 PolarHBondContact O-N 3.41Å; N188-G190 PolarHBondContact O-N 2.98Å
191R96.8Very high96Very high23 Ų2348.2 Ų48.29%0.08724%0.238CC..  trans-72.1147.2170.7-65.2-177.674176.53.2111M182 I183 N188 L189 D212 F218 G243 K245M182-R191 WeakPolarHBondContact CA-O 3.4Å; I183-R191 HydrophobicContact CG1-CB 4.38Å; I183-R191 PolarHBondContact N-O 3.41Å; N188-R191 VanDerWaalsContact O-CB 3.32Å; N188-R191 WeakPolarHBondContact O-CB 3.33Å; N188-R191 WeakPolarHBondContact O-CG 3.44Å; N188-R191 PolarHBondContact O-N 3.29Å; N188-R191 VanDerWaalsContact O-N 3.14Å; N188-R191 PolarHBondContact OD1-NH1 3.26Å; L189-R191 VanDerWaalsContact C-N 3.25Å; L189-R191 PolarHBondContact O-N 3.47Å; R191-D212 IonicContact CZ-OD2 3.88Å; R191-D212 IonicContact NH2-OD2 3.89Å; R191-D212 PolarHBondContact NH2-OD2 3.02Å; R191-F218 HydrophobicContact CB-CE1 4.35Å; R191-F218 HydrophobicContact CB-CE2 4.23Å; R191-F218 HydrophobicContact CB-CZ 3.76Å; R191-F218 VanDerWaalsContact CZ-CE1 3.5Å; R191-F218 VanDerWaalsContact NH1-CD1 3.35Å; R191-G243 CarbonylContact C-O 3.6Å; R191-G243 VanDerWaalsContact CA-O 3.26Å; R191-G243 WeakPolarHBondContact CA-O 3.5Å; R191-K245 HydrophobicContact CG-CB 3.89Å; R191-K245 HydrophobicContact CG-CD 4.27Å
192V96.9Very high95.8Very high7 Ų754.5 Ų54.54%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-119.1140.3174.9175.20000109.1L180 C181 M182 D212 I228 L238 G243L180-V192 HydrophobicContact CD1-CG1 3.77Å; L180-V192 HydrophobicContact CD2-CG1 4.07Å; L180-V192 HydrophobicContact CG-CG1 3.88Å; C181-V192 VanDerWaalsContact O-CA 3.29Å; C181-V192 WeakPolarHBondContact O-CA 3.22Å; M182-V192 HydrophobicContact CB-CG2 4.02Å; M182-V192 HydrophobicContact CE-CG2 3.38Å; M182-V192 HydrophobicContact CG-CG2 4.03Å; V192-D212 WeakPolarHBondContact O-CB 3.43Å; V192-I228 HydrophobicContact CG1-CD1 4.05Å; V192-I228 HydrophobicContact CG2-CD1 4.4Å; V192-L238 HydrophobicContact CG1-CD1 4.32Å; V192-L238 HydrophobicContact CG2-CD2 4.19Å; V192-G243 PolarHBondContact N-O 3.02Å
193G96.4Very high95.6Very high3 Ų359 Ų593%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-171.3173.4175.900000112.4C181 K211C181-G193 PolarHBondContact N-O 3.23Å; C181-G193 PolarHBondContact O-N 3.37Å; C181-G193 PolarHBondContact SG-O 3.39Å; G193-K211 CarbonylContact C-O 3.39Å; G193-K211 WeakPolarHBondContact CA-O 3.37Å
194T96.9Very high95.4Very high33 Ų3363 Ų6320%0.20235%0.353CS..EExtended strand (participates in β ladder)trans-87.3138.5176.252.50000110.4N179 L180 V196 I210 K211N179-T194 WeakPolarHBondContact O-CA 3.44Å; L180-T194 HydrophobicContact CD1-CG2 4.12Å; T194-V196 PolarHBondContact O-N 3.21Å; T194-I210 WeakPolarHBondContact O-CA 3.27Å; T194-I210 WeakPolarHBondContact O-CG2 3.41Å; T194-K211 PolarHBondContact N-O 3.13Å; T194-K211 PolarHBondContact O-N 2.97Å; T194-K211 PolarHBondContact OG1-O 2.91Å
195V97Very high95.2Very high4 Ų466.8 Ų66.82%0.02437%0.368CS..EExtended strand (participates in β ladder)trans-68.3122174178.10000108.4F175 G178 N179 C181 V208 V225 I227F175-V195 HydrophobicContact CZ-CG1 4.47Å; G178-V195 PolarHBondContact N-O 3.49Å; N179-V195 PolarHBondContact O-N 3.01Å; C181-V195 HydrophobicContact CB-CG2 4.06Å; V195-V208 HydrophobicContact CG1-CG1 3.76Å; V195-V208 HydrophobicContact CG2-CG1 4.4Å; V195-V225 HydrophobicContact CG2-CG1 4.46Å; V195-I227 HydrophobicContact CG2-CD1 4Å
196V96.3Very high95.3Very high75 Ų7567.2 Ų67.246%0.45537%0.367SS..EExtended strand (participates in β ladder)trans-95.8-54180-179.60000110.4T194 H209 K211T194-V196 PolarHBondContact O-N 3.21Å; V196-H209 PolarHBondContact N-O 3.23Å; V196-K211 HydrophobicContact CG2-CB 3.6Å
197N95.4Very high95.4Very high89 Ų8967.2 Ų67.248%0.47635%0.352SS..EExtended strand (participates in β ladder)trans-149.7150.3-177-171.720.4000110.6H209N197-H209 PolarHBondContact N-O 3.08Å; N197-H209 PolarHBondContact O-N 3.12Å
198R94.8Very high95.5Very high80 Ų8056.4 Ų56.430%0.30231%0.312SS..EExtended strand (participates in β ladder)trans-115113.4171.1172.6-176.6168-162.5-1.2108.9R200 D206 I207R198-R200 HydrophobicContact CG-CG 4.38Å; R198-D206 IonicContact CZ-OD2 2.79Å; R198-D206 IonicContact NE-OD2 2.77Å; R198-D206 PolarHBondContact NE-OD2 3.05Å; R198-D206 IonicContact NH2-OD2 3.73Å; R198-D206 PolarHBondContact NH2-OD2 3.47Å; R198-I207 CarbonylContact C-O 3.58Å; R198-I207 WeakPolarHBondContact CA-O 3.24Å
199E94.9Very high95.6Very high87 Ų8758 Ų5841%0.40732%0.318SS..EExtended strand (participates in β ladder)trans-83.8120.1169-166.7178.1177.600109.2H201 D206 I207 H209E199-H201 IonicContact OE1-CE1 3.09Å; E199-H201 PolarHBondContact OE1-CE1 2.72Å; E199-H201 IonicContact OE1-NE2 3.53Å; E199-H201 IonicContact OE2-NE2 3.75Å; E199-D206 WeakPolarHBondContact O-CA 3.41Å; E199-I207 HydrophobicContact CB-CB 4.36Å; E199-I207 PolarHBondContact N-O 3.35Å; E199-I207 PolarHBondContact O-N 2.85Å; E199-H209 IonicContact OE2-NE2 2.79Å
200R94.8Very high95.7Very high175 Ų17556.6 Ų56.666%0.6631%0.311SS*.  trans-91.2130.1-180-67.8-172.4-178.6-1712.1109.7R198 D206R198-R200 HydrophobicContact CG-CG 4.38Å; R200-D206 WeakPolarHBondContact CA-OD1 3.37Å
201H95.4Very high95.7Very high55 Ų5561.4 Ų61.426%0.25533%0.332SS..  trans-123.392.7174.6-62.1-70.8000109.4E199 G203 S204 F205 D206E199-H201 IonicContact OE1-CE1 3.09Å; E199-H201 PolarHBondContact OE1-CE1 2.72Å; E199-H201 IonicContact OE1-NE2 3.53Å; E199-H201 IonicContact OE2-NE2 3.75Å; H201-G203 PolarHBondContact O-N 3.33Å; H201-S204 CarbonylContact O-C 3.47Å; H201-S204 PolarHBondContact O-N 3.31Å; H201-F205 PolarHBondContact CD2-O 2.95Å; H201-D206 PolarHBondContact N-OD1 3.03Å
202P93Very high95.6Very high131 Ų13160.6 Ų60.685%0.85133%0.329SS*.THydrogen-bonded Turntrans-53.8128.5179.1-24.633.9000111.5S204P202-S204 VanDerWaalsContact C-N 3.26Å; P202-S204 PolarHBondContact O-N 3.2Å
203G92.3Very high95.4Very high96 Ų9665 Ų6599%0.9936%0.361SS*.THydrogen-bonded Turntrans80.1-2.4-176.700000115.3H201H201-G203 PolarHBondContact O-N 3.33Å
204S94.1Very high95.3Very high84 Ų8469.7 Ų69.759%0.58738%0.382SS*.SBendtrans-132.7-166.8-179.7-166.90000111.7H201 P202H201-S204 CarbonylContact O-C 3.47Å; H201-S204 PolarHBondContact O-N 3.31Å; P202-S204 VanDerWaalsContact C-N 3.26Å; P202-S204 PolarHBondContact O-N 3.2Å
205F93.1Very high95.1Very high107 Ų10769.7 Ų69.747%0.46939%0.388SS..  trans-85.7117.1179.1-58.2-76000110.8H201 R221H201-F205 PolarHBondContact CD2-O 2.95Å; F205-R221 HydrophobicContact CB-CG 4.15Å; F205-R221 VanDerWaalsContact CE2-NH1 3.34Å
206D95.9Very high95Very high24 Ų2473.5 Ų73.513%0.12841%0.405CS..  trans-57.8138168.3-71.9-2.5000111.7R198 E199 R200 H201 R221 L222R198-D206 IonicContact CZ-OD2 2.79Å; R198-D206 IonicContact NE-OD2 2.77Å; R198-D206 PolarHBondContact NE-OD2 3.05Å; R198-D206 IonicContact NH2-OD2 3.73Å; R198-D206 PolarHBondContact NH2-OD2 3.47Å; E199-D206 WeakPolarHBondContact O-CA 3.41Å; R200-D206 WeakPolarHBondContact CA-OD1 3.37Å; H201-D206 PolarHBondContact N-OD1 3.03Å; D206-R221 WeakPolarHBondContact O-CA 3.42Å; D206-L222 HydrophobicContact CB-CB 3.93Å; D206-L222 HydrophobicContact CB-CD2 4.1Å; D206-L222 PolarHBondContact O-N 2.7Å
207I97.1Very high95Very high56 Ų5674.4 Ų74.429%0.28741%0.411SS..EExtended strand (participates in β ladder)trans-105.6137.7179.9-60.3178.6000108.7R198 E199 A219R198-I207 CarbonylContact C-O 3.58Å; R198-I207 WeakPolarHBondContact CA-O 3.24Å; E199-I207 HydrophobicContact CB-CB 4.36Å; E199-I207 PolarHBondContact N-O 3.35Å; E199-I207 PolarHBondContact O-N 2.85Å; I207-A219 HydrophobicContact CG2-CB 3.92Å
208V97.3Very high95.1Very high0 Ų070.9 Ų70.90%039%0.391CS..EExtended strand (participates in β ladder)trans-120.3123.7179.9-172.90000108.5F175 V195 I210 A219 T220 L222 V225F175-V208 HydrophobicContact CZ-CG1 4.16Å; F175-V208 HydrophobicContact CZ-CG2 3.9Å; V195-V208 HydrophobicContact CG1-CG1 3.76Å; V195-V208 HydrophobicContact CG2-CG1 4.4Å; V208-I210 HydrophobicContact CG1-CD1 4.33Å; V208-I210 HydrophobicContact CG1-CG1 3.99Å; V208-A219 VanDerWaalsContact O-CA 3.31Å; V208-A219 WeakPolarHBondContact O-CA 3.38Å; V208-T220 PolarHBondContact N-O 3.31Å; V208-T220 PolarHBondContact O-N 2.97Å; V208-L222 HydrophobicContact CG2-CB 4.16Å; V208-L222 HydrophobicContact CG2-CD1 3.93Å; V208-V225 HydrophobicContact CB-CG2 3.93Å; V208-V225 HydrophobicContact CG1-CG2 4.2Å; V208-V225 HydrophobicContact CG2-CG2 3.99Å
209H97.8Very high95.2Very high60 Ų6069.1 Ų69.128%0.27839%0.394SS..EExtended strand (participates in β ladder)trans-89.4130172.8-65.7-92000109.6V196 N197 E199V196-H209 PolarHBondContact N-O 3.23Å; N197-H209 PolarHBondContact N-O 3.08Å; N197-H209 PolarHBondContact O-N 3.12Å; E199-H209 IonicContact OE2-NE2 2.79Å
210I97.3Very high95.3Very high0 Ų065.8 Ų65.80%038%0.379CS..EExtended strand (participates in β ladder)trans-131.3138.3-172.5-61.5163.3000108.5I183 T194 V208 V217 F218 T220 V225I183-I210 HydrophobicContact CD1-CD1 3.34Å; I183-I210 HydrophobicContact CG1-CD1 4.48Å; T194-I210 WeakPolarHBondContact O-CA 3.27Å; T194-I210 WeakPolarHBondContact O-CG2 3.41Å; V208-I210 HydrophobicContact CG1-CD1 4.33Å; V208-I210 HydrophobicContact CG1-CG1 3.99Å; I210-V217 WeakPolarHBondContact O-CA 3.3Å; I210-F218 HydrophobicContact CB-CD2 4.36Å; I210-F218 HydrophobicContact CB-CE1 4.28Å; I210-F218 HydrophobicContact CB-CE2 3.89Å; I210-F218 HydrophobicContact CB-CZ 3.87Å; I210-F218 HydrophobicContact CD1-CE2 4.06Å; I210-F218 HydrophobicContact CG2-CE1 3.92Å; I210-F218 HydrophobicContact CG2-CE2 3.97Å; I210-F218 HydrophobicContact CG2-CZ 3.47Å; I210-F218 VanDerWaalsContact CG2-CZ 3.47Å; I210-F218 PolarHBondContact N-O 3.27Å; I210-F218 PolarHBondContact O-N 3.16Å; I210-T220 HydrophobicContact CD1-CG2 3.82Å; I210-V225 HydrophobicContact CD1-CG2 4.08Å
211K96.8Very high95.4Very high100 Ų10063.4 Ų63.444%0.43537%0.37SS..EExtended strand (participates in β ladder)trans-111.8124.5175.9-176.2175.6-179.5179.30109.1G193 T194 V196 V217G193-K211 CarbonylContact C-O 3.39Å; G193-K211 WeakPolarHBondContact CA-O 3.37Å; T194-K211 PolarHBondContact N-O 3.13Å; T194-K211 PolarHBondContact O-N 2.97Å; T194-K211 PolarHBondContact OG1-O 2.91Å; V196-K211 HydrophobicContact CG2-CB 3.6Å; K211-V217 HydrophobicContact CB-CG2 4.42Å; K211-V217 HydrophobicContact CG-CG2 4.33Å
212D95.1Very high95.4Very high6 Ų661.7 Ų61.73%0.03236%0.363CS..  trans-79.7174.9173.467.426.8000112.2R191 V192 Q214 G215 H216 F218R191-D212 IonicContact CZ-OD2 3.88Å; R191-D212 IonicContact NH2-OD2 3.89Å; R191-D212 PolarHBondContact NH2-OD2 3.02Å; V192-D212 WeakPolarHBondContact O-CB 3.43Å; D212-Q214 PolarHBondContact O-N 3.3Å; D212-Q214 PolarHBondContact OD1-N 3.18Å; D212-G215 PolarHBondContact O-N 3.02Å; D212-G215 PolarHBondContact OD1-N 3.46Å; D212-G215 VanDerWaalsContact OD1-N 3.08Å; D212-H216 PolarHBondContact N-O 2.89Å; D212-H216 IonicContact OD1-CG 3.88Å; D212-H216 PolarHBondContact OD1-N 3.06Å; D212-H216 IonicContact OD1-ND1 3.87Å; D212-H216 WeakPolarHBondContact OD2-CB 3.39Å; D212-H216 IonicContact OD2-CG 3.8Å; D212-H216 IonicContact OD2-ND1 3.47Å; D212-H216 PolarHBondContact OD2-ND1 2.85Å; D212-F218 HydrophobicContact CB-CE1 4.23Å
213S92.7Very high95.5Very high101 Ų10159.3 Ų59.371%0.70635%0.346SS*.THydrogen-bonded Turntrans-68.6-15.3-178.161.90000114.2G215 V244S213-G215 VanDerWaalsContact C-N 3.33Å; S213-V244 WeakPolarHBondContact OG-CG2 3.41Å
214Q93Very high95.7Very high101 Ų10156.5 Ų56.547%0.47231%0.308SS..THydrogen-bonded Turntrans-91-1.4172.7-75-174.1-31.700112.2D212 H216 V244D212-Q214 PolarHBondContact O-N 3.3Å; D212-Q214 PolarHBondContact OD1-N 3.18Å; Q214-H216 PolarHBondContact OE1-CE1 3.35Å; Q214-V244 HydrophobicContact CB-CG1 4.43Å; Q214-V244 HydrophobicContact CG-CG1 3.79Å
215G93.2Very high95.9Very high32 Ų3252.5 Ų52.533%0.3328%0.28SS..  trans87.12.5179.900000114.3D212 S213 V217D212-G215 PolarHBondContact O-N 3.02Å; D212-G215 PolarHBondContact OD1-N 3.46Å; D212-G215 VanDerWaalsContact OD1-N 3.08Å; S213-G215 VanDerWaalsContact C-N 3.33Å; G215-V217 PolarHBondContact O-N 3Å
216H94.7Very high96.1Very high84 Ų8447.5 Ų47.539%0.38926%0.259SS..  trans-69.7131.8173.2-52.9134.3000110.1D212 Q214D212-H216 PolarHBondContact N-O 2.89Å; D212-H216 IonicContact OD1-CG 3.88Å; D212-H216 PolarHBondContact OD1-N 3.06Å; D212-H216 IonicContact OD1-ND1 3.87Å; D212-H216 WeakPolarHBondContact OD2-CB 3.39Å; D212-H216 IonicContact OD2-CG 3.8Å; D212-H216 IonicContact OD2-ND1 3.47Å; D212-H216 PolarHBondContact OD2-ND1 2.85Å; Q214-H216 PolarHBondContact OE1-CE1 3.35Å
217V96.3Very high96.2Very high94 Ų9446.4 Ų46.457%0.5725%0.253SS*.EExtended strand (participates in β ladder)trans-100.2137.2177.8-176.80000109.7I210 K211 G215I210-V217 WeakPolarHBondContact O-CA 3.3Å; K211-V217 HydrophobicContact CB-CG2 4.42Å; K211-V217 HydrophobicContact CG-CG2 4.33Å; G215-V217 PolarHBondContact O-N 3Å
218F97Very high96.2Very high16 Ų1643.7 Ų43.77%0.0724%0.239CC..EExtended strand (participates in β ladder)trans-147.5159.8174.960.9-84.6000110.8I183 N188 R191 I210 D212I183-F218 HydrophobicContact CD1-CE2 4.11Å; I183-F218 HydrophobicContact CG1-CE2 3.75Å; I183-F218 HydrophobicContact CG1-CZ 4.33Å; N188-F218 HydrophobicContact CB-CD2 3.85Å; N188-F218 HydrophobicContact CB-CE2 4.07Å; R191-F218 HydrophobicContact CB-CE1 4.35Å; R191-F218 HydrophobicContact CB-CE2 4.23Å; R191-F218 HydrophobicContact CB-CZ 3.76Å; R191-F218 VanDerWaalsContact CZ-CE1 3.5Å; R191-F218 VanDerWaalsContact NH1-CD1 3.35Å; I210-F218 HydrophobicContact CB-CD2 4.36Å; I210-F218 HydrophobicContact CB-CE1 4.28Å; I210-F218 HydrophobicContact CB-CE2 3.89Å; I210-F218 HydrophobicContact CB-CZ 3.87Å; I210-F218 HydrophobicContact CD1-CE2 4.06Å; I210-F218 HydrophobicContact CG2-CE1 3.92Å; I210-F218 HydrophobicContact CG2-CE2 3.97Å; I210-F218 HydrophobicContact CG2-CZ 3.47Å; I210-F218 VanDerWaalsContact CG2-CZ 3.47Å; I210-F218 PolarHBondContact N-O 3.27Å; I210-F218 PolarHBondContact O-N 3.16Å; D212-F218 HydrophobicContact CB-CE1 4.23Å
219A97Very high96.1Very high43 Ų4343.7 Ų43.736%0.35524%0.239SC..EExtended strand (participates in β ladder)trans-115.5154-179.900000112.1N188 I207 V208N188-A219 PolarHBondContact ND2-O 3.36Å; I207-A219 HydrophobicContact CG2-CB 3.92Å; V208-A219 VanDerWaalsContact O-CA 3.31Å; V208-A219 WeakPolarHBondContact O-CA 3.38Å
220T97.5Very high95.9Very high17 Ų1745.1 Ų45.110%0.10424%0.244CC..EExtended strand (participates in β ladder)trans-153.3166.7170.3-174.20000110.7I183 V208 I210 N224 V225I183-T220 HydrophobicContact CD1-CG2 3.64Å; V208-T220 PolarHBondContact N-O 3.31Å; V208-T220 PolarHBondContact O-N 2.97Å; I210-T220 HydrophobicContact CD1-CG2 3.82Å; T220-N224 WeakPolarHBondContact OG1-CB 3.34Å; T220-N224 PolarHBondContact OG1-ND2 3.45Å; T220-V225 HydrophobicContact CG2-CG2 3.48Å; T220-V225 VanDerWaalsContact CG2-CG2 3.48Å
221R96.5Very high95.6Very high124 Ų12446.5 Ų46.547%0.46826%0.258SS..EExtended strand (participates in β ladder)trans-68.3145.6170.3-60.9-177.6-176-172.80.7111.2F205 D206 T223 N224F205-R221 HydrophobicContact CB-CG 4.15Å; F205-R221 VanDerWaalsContact CE2-NH1 3.34Å; D206-R221 WeakPolarHBondContact O-CA 3.42Å; R221-T223 PolarHBondContact O-N 2.58Å; R221-T223 VanDerWaalsContact O-N 3.13Å; R221-N224 WeakPolarHBondContact O-CB 3.07Å; R221-N224 PolarHBondContact O-N 3.04Å
222L95.9Very high95.1Very high20 Ų2048.3 Ų48.311%0.10527%0.273CS..G310 helixtrans-50.2-37.5175.8179.865.8000113.3K125 F175 D206 V208 N224 V225K125-L222 PolarHBondContact NZ-O 3.24Å; F175-L222 HydrophobicContact CD1-CD1 4.25Å; F175-L222 HydrophobicContact CD2-CD1 4.27Å; F175-L222 HydrophobicContact CE1-CD1 3.65Å; F175-L222 HydrophobicContact CE2-CD1 3.64Å; F175-L222 HydrophobicContact CZ-CD1 3.31Å; D206-L222 HydrophobicContact CB-CB 3.93Å; D206-L222 HydrophobicContact CB-CD2 4.1Å; D206-L222 PolarHBondContact O-N 2.7Å; V208-L222 HydrophobicContact CG2-CB 4.16Å; V208-L222 HydrophobicContact CG2-CD1 3.93Å; L222-N224 PolarHBondContact O-N 3.2Å; L222-V225 PolarHBondContact O-N 3.09Å; L222-V225 VanDerWaalsContact O-N 3.16Å
223T95.2Very high95Very high80 Ų8055.8 Ų55.849%0.49131%0.305SS..G310 helixtrans-58.6-34.2179.655.70000112.8K125 R221K125-T223 PolarHBondContact NZ-O 3.07Å; K125-T223 VanDerWaalsContact NZ-O 3.08Å; R221-T223 PolarHBondContact O-N 2.58Å; R221-T223 VanDerWaalsContact O-N 3.13Å
224N96.7Very high95.1Very high37 Ų3753.4 Ų53.420%0.19829%0.287CS..G310 helixtrans-87.9-6.6-175.3-59.3-11.6000112.8I183 T184 G185 T220 R221 L222I183-N224 CarbonylContact C-O 3.53Å; I183-N224 WeakPolarHBondContact CA-O 3.21Å; I183-N224 HydrophobicContact CG2-CB 4.35Å; T184-N224 PolarHBondContact N-O 3.41Å; T184-N224 PolarHBondContact OG1-O 3.5Å; T184-N224 VanDerWaalsContact OG1-O 3.09Å; G185-N224 PolarHBondContact O-ND2 2.68Å; T220-N224 WeakPolarHBondContact OG1-CB 3.34Å; T220-N224 PolarHBondContact OG1-ND2 3.45Å; R221-N224 WeakPolarHBondContact O-CB 3.07Å; R221-N224 PolarHBondContact O-N 3.04Å; L222-N224 PolarHBondContact O-N 3.2Å
225V97.1Very high95.1Very high0 Ų050.9 Ų50.90%027%0.274CS..EExtended strand (participates in β ladder)trans-86.6130.3178.6-173.30000109.2K125 F175 C181 I183 V195 V208 I210 T220 L222 I227K125-V225 WeakPolarHBondContact CD-O 3.09Å; K125-V225 WeakPolarHBondContact CE-O 3.05Å; K125-V225 PolarHBondContact NZ-O 3.01Å; F175-V225 HydrophobicContact CE2-CB 4.07Å; F175-V225 HydrophobicContact CE2-CG1 3.75Å; C181-V225 HydrophobicContact CB-CG1 3.55Å; I183-V225 HydrophobicContact CD1-CG2 4.37Å; V195-V225 HydrophobicContact CG2-CG1 4.46Å; V208-V225 HydrophobicContact CB-CG2 3.93Å; V208-V225 HydrophobicContact CG1-CG2 4.2Å; V208-V225 HydrophobicContact CG2-CG2 3.99Å; I210-V225 HydrophobicContact CD1-CG2 4.08Å; T220-V225 HydrophobicContact CG2-CG2 3.48Å; T220-V225 VanDerWaalsContact CG2-CG2 3.48Å; L222-V225 PolarHBondContact O-N 3.09Å; L222-V225 VanDerWaalsContact O-N 3.16Å; V225-I227 HydrophobicContact CG1-CD1 4.26Å
226F97.6Very high95.2Very high3 Ų349.6 Ų49.61%0.01326%0.259CS..EExtended strand (participates in β ladder)trans-124117.8174.5-168.8-69.1000108.8Y86 M87 L123 K125 H142 C181 M182 T184 I228Y86-F226 AromaticContact CD1-CD2 3.96Å; Y86-F226 HydrophobicContact CD1-CD2 3.96Å; Y86-F226 HydrophobicContact CD1-CE2 4.02Å; Y86-F226 HydrophobicContact CE1-CB 4.17Å; Y86-F226 AromaticContact CE1-CD1 3.98Å; Y86-F226 HydrophobicContact CE1-CD1 3.98Å; Y86-F226 AromaticContact CE1-CD2 3.51Å; Y86-F226 HydrophobicContact CE1-CD2 3.51Å; Y86-F226 HydrophobicContact CE1-CE1 4.24Å; Y86-F226 AromaticContact CE1-CE2 3.77Å; Y86-F226 HydrophobicContact CE1-CE2 3.77Å; Y86-F226 AromaticContact CE1-CG 3.63Å; Y86-F226 HydrophobicContact CE1-CG 3.63Å; Y86-F226 HydrophobicContact CE1-CZ 4.14Å; M87-F226 HydrophobicContact CG-CE1 4.25Å; M87-F226 HydrophobicContact CG-CE2 4.37Å; M87-F226 HydrophobicContact CG-CZ 3.89Å; L123-F226 HydrophobicContact CB-CE1 3.88Å; L123-F226 HydrophobicContact CB-CZ 4.05Å; L123-F226 HydrophobicContact CD1-CE1 4.45Å; K125-F226 HydrophobicContact CB-CD2 3.53Å; K125-F226 HydrophobicContact CB-CE2 3.4Å; K125-F226 HydrophobicContact CB-CG 4.33Å; K125-F226 HydrophobicContact CB-CZ 4.08Å; K125-F226 HydrophobicContact CD-CD2 4.27Å; K125-F226 HydrophobicContact CG-CD2 4.5Å; H142-F226 AromaticContact CE1-CE2 3.73Å; H142-F226 AromaticContact ND1-CE2 3.89Å; H142-F226 AromaticContact NE2-CE2 3.94Å; C181-F226 CarbonylContact C-O 3.59Å; C181-F226 WeakPolarHBondContact CA-O 3.28Å; C181-F226 WeakPolarHBondContact CB-O 3.43Å; M182-F226 PolarHBondContact N-O 3.02Å; M182-F226 WeakPolarHBondContact O-CB 3.27Å; M182-F226 PolarHBondContact O-N 3.01Å; T184-F226 HydrophobicContact CG2-CB 3.66Å; T184-F226 HydrophobicContact CG2-CD2 4.21Å; T184-F226 HydrophobicContact CG2-CG 4.26Å; F226-I228 HydrophobicContact CD1-CG2 3.72Å; F226-I228 HydrophobicContact CE1-CG2 4.19Å
227I97.5Very high95.3Very high0 Ų047.5 Ų47.50%025%0.254CS..EExtended strand (participates in β ladder)trans-74.3130.8179.3-55.7-57.6000109.5S159 I173 F175 N179 C181 V195 V225S159-I227 WeakPolarHBondContact CB-O 3.39Å; S159-I227 PolarHBondContact OG-N 2.97Å; S159-I227 PolarHBondContact OG-O 3.44Å; I173-I227 HydrophobicContact CB-CG2 4Å; I173-I227 HydrophobicContact CG2-CG2 3.4Å; F175-I227 HydrophobicContact CB-CG1 4.29Å; F175-I227 HydrophobicContact CD2-CD1 3.61Å; F175-I227 HydrophobicContact CD2-CG1 3.69Å; F175-I227 HydrophobicContact CE2-CD1 3.97Å; F175-I227 HydrophobicContact CE2-CG1 4.47Å; F175-I227 HydrophobicContact CG-CD1 4.48Å; F175-I227 HydrophobicContact CG-CG1 4.42Å; N179-I227 HydrophobicContact CB-CG2 4.21Å; C181-I227 HydrophobicContact CB-CD1 3.8Å; V195-I227 HydrophobicContact CG2-CD1 4Å; V225-I227 HydrophobicContact CG1-CD1 4.26Å
228I97.1Very high95.2Very high0 Ų044.9 Ų44.90%024%0.236CC..EExtended strand (participates in β ladder)trans-123-7.1-176.458.8162.2000113.2L123 L180 M182 V192 F226 Y235 I236 L238L123-I228 HydrophobicContact CD1-CB 4.31Å; L123-I228 HydrophobicContact CD1-CG2 4.45Å; L180-I228 HydrophobicContact CB-CG1 4.21Å; L180-I228 HydrophobicContact CD2-CD1 3.71Å; L180-I228 HydrophobicContact CD2-CG1 3.96Å; L180-I228 HydrophobicContact CG-CD1 4Å; L180-I228 HydrophobicContact CG-CG1 3.95Å; L180-I228 WeakPolarHBondContact O-CG1 3.34Å; L180-I228 PolarHBondContact O-N 2.85Å; M182-I228 HydrophobicContact CB-CD1 4.26Å; M182-I228 HydrophobicContact CB-CG2 4.07Å; V192-I228 HydrophobicContact CG1-CD1 4.05Å; V192-I228 HydrophobicContact CG2-CD1 4.4Å; F226-I228 HydrophobicContact CD1-CG2 3.72Å; F226-I228 HydrophobicContact CE1-CG2 4.19Å; I228-Y235 WeakPolarHBondContact O-CB 3.36Å; I228-Y235 PolarHBondContact O-N 3.05Å; I228-I236 HydrophobicContact CB-CD1 4.32Å; I228-I236 HydrophobicContact CB-CG1 4.42Å; I228-I236 HydrophobicContact CG2-CD1 4.02Å; I228-L238 HydrophobicContact CD1-CD2 3.79Å
229G95.3Very high95Very high0 Ų044.5 Ų44.50%024%0.236CC..EExtended strand (participates in β ladder)trans-164157.7-176.400000114.3N179 L180 K233N179-G229 WeakPolarHBondContact CB-O 3.41Å; L180-G229 PolarHBondContact N-O 2.92Å; L180-G229 PolarHBondContact O-N 2.78Å; G229-K233 WeakPolarHBondContact CA-O 3.35Å
230K94.1Very high94.7Very high89 Ų8951.5 Ų51.539%0.38726%0.258SS..EExtended strand (participates in β ladder)trans-90.2120.5171.5-69176.4-176.9163.70108D171 Y172 I173 N179 N232 K233 Y235D171-K230 IonicContact OD1-NZ 3.02Å; D171-K230 PolarHBondContact OD1-NZ 2.79Å; D171-K230 IonicContact OD2-NZ 3Å; D171-K230 PolarHBondContact OD2-NZ 3.47Å; Y172-K230 WeakPolarHBondContact O-CE 3.16Å; Y172-K230 PolarHBondContact O-NZ 3.2Å; Y172-K230 VanDerWaalsContact O-NZ 3.15Å; I173-K230 HydrophobicContact CG1-CG 4.41Å; I173-K230 HydrophobicContact CG2-CG 3.76Å; N179-K230 WeakPolarHBondContact OD1-CA 3.23Å; K230-N232 PolarHBondContact O-N 3.3Å; K230-K233 PolarHBondContact N-O 3.09Å; K230-K233 PolarHBondContact O-N 3.17Å; K230-Y235 HydrophobicContact CB-CE2 4.37Å; K230-Y235 HydrophobicContact CD-CE2 4.19Å; K230-Y235 WeakPolarHBondContact CD-OH 3.34Å; K230-Y235 VanDerWaalsContact CE-OH 3.23Å; K230-Y235 WeakPolarHBondContact CE-OH 3.32Å; K230-Y235 HydrophobicContact CG-CE2 4.04Å; K230-Y235 PolarHBondContact NZ-OH 3.11Å
231G91.5Very high94.4Very high29 Ų2952.6 Ų52.630%0.29927%0.273SS..THydrogen-bonded Turntrans56.2-130.7-172.200000112.1G178 N179 L180G178-G231 WeakPolarHBondContact O-CA 3.45Å; N179-G231 PolarHBondContact OD1-N 3.11Å; L180-G231 WeakPolarHBondContact CB-O 3.37Å; L180-G231 PolarHBondContact N-O 2.83Å
232N86Confident94.2Very high138 Ų13854 Ų5474%0.73828%0.283SS*.THydrogen-bonded Turntrans-86.4-2.4178.6-74.4-17.1000114.6K230 P234K230-N232 PolarHBondContact O-N 3.3Å; N232-P234 VanDerWaalsContact O-CD 3.23Å; N232-P234 WeakPolarHBondContact O-CD 3.3Å
233K92.4Very high94.1Very high164 Ų16453.2 Ų53.271%0.71328%0.279SS*.EExtended strand (participates in β ladder)trans-94.5107-176.5-172176.9178.9179.90110.4G229 K230G229-K233 WeakPolarHBondContact CA-O 3.35Å; K230-K233 PolarHBondContact N-O 3.09Å; K230-K233 PolarHBondContact O-N 3.17Å
234P94.5Very high94.1Very high51 Ų5150.3 Ų50.333%0.33126%0.261SS..EExtended strand (participates in β ladder)trans-71142.3174.331.5-34.9000110.2L180 N232 I236L180-P234 HydrophobicContact CD2-CB 3.8Å; L180-P234 HydrophobicContact CD2-CG 4.45Å; N232-P234 VanDerWaalsContact O-CD 3.23Å; N232-P234 WeakPolarHBondContact O-CD 3.3Å; P234-I236 WeakPolarHBondContact CB-O 3.38Å
235Y95Very high93.9Very high47 Ų4752.2 Ų52.218%0.18427%0.268CS..SBendtrans-79.9-6170.1-84.9-128.9000111.8Y121 L123 D171 I173 I228 K230Y121-Y235 WeakPolarHBondContact CE2-O 3.37Å; Y121-Y235 PolarHBondContact OH-O 2.72Å; L123-Y235 HydrophobicContact CD2-CD1 4.34Å; D171-Y235 HydrophobicContact CB-CE1 4.41Å; D171-Y235 VanDerWaalsContact OD2-CE1 3.32Å; D171-Y235 WeakPolarHBondContact OD2-CE1 3.27Å; D171-Y235 PolarHBondContact OD2-OH 3.36Å; I173-Y235 HydrophobicContact CD1-CD1 4.06Å; I173-Y235 HydrophobicContact CD1-CD2 3.71Å; I173-Y235 HydrophobicContact CD1-CE1 4.25Å; I173-Y235 HydrophobicContact CD1-CE2 3.92Å; I173-Y235 HydrophobicContact CD1-CG 3.79Å; I173-Y235 HydrophobicContact CG1-CE1 4.38Å; I173-Y235 HydrophobicContact CG1-CE2 4.31Å; I228-Y235 WeakPolarHBondContact O-CB 3.36Å; I228-Y235 PolarHBondContact O-N 3.05Å; K230-Y235 HydrophobicContact CB-CE2 4.37Å; K230-Y235 HydrophobicContact CD-CE2 4.19Å; K230-Y235 WeakPolarHBondContact CD-OH 3.34Å; K230-Y235 VanDerWaalsContact CE-OH 3.23Å; K230-Y235 WeakPolarHBondContact CE-OH 3.32Å; K230-Y235 HydrophobicContact CG-CE2 4.04Å; K230-Y235 PolarHBondContact NZ-OH 3.11Å
236I95.3Very high93.8Very high5 Ų554.3 Ų54.33%0.02628%0.279CS..SBendtrans-129.8149.5-18066.1176.9000110.6M87 E118 L123 I228 P234 L238M87-I236 HydrophobicContact CE-CD1 3.94Å; M87-I236 HydrophobicContact CE-CG2 3.55Å; M87-I236 HydrophobicContact SD-CD1 3.66Å; E118-I236 WeakPolarHBondContact OE1-CA 3.49Å; L123-I236 HydrophobicContact CD1-CG2 3.69Å; L123-I236 HydrophobicContact CG-CG2 3.96Å; I228-I236 HydrophobicContact CB-CD1 4.32Å; I228-I236 HydrophobicContact CB-CG1 4.42Å; I228-I236 HydrophobicContact CG2-CD1 4.02Å; P234-I236 WeakPolarHBondContact CB-O 3.38Å; I236-L238 HydrophobicContact CG1-CD2 4.33Å
237S95.7Very high93.6Very high40 Ų4056.9 Ų56.928%0.2830%0.297SS..PPolyproline II helixtrans-67.7135.616758.90000110H112 E118H112-S237 PolarHBondContact CD2-OG 2.78Å; H112-S237 WeakPolarHBondContact NE2-CB 3.43Å; H112-S237 PolarHBondContact NE2-O 2.97Å; H112-S237 PolarHBondContact NE2-OG 3.18Å; E118-S237 PolarHBondContact OE1-N 3.16Å; E118-S237 PolarHBondContact OE1-OG 3.48Å; E118-S237 VanDerWaalsContact OE1-OG 3.06Å; E118-S237 VanDerWaalsContact OE2-CB 3.29Å; E118-S237 WeakPolarHBondContact OE2-CB 3.37Å; E118-S237 PolarHBondContact OE2-OG 2.92Å
238L94.4Very high93.4Very high39 Ų3964.5 Ų64.520%0.20434%0.336CS..PPolyproline II helixtrans-94.6146.5-177.3-66.1178.2000110.9H112 M182 V192 I228 I236 K242H112-L238 PolarHBondContact CE1-O 2.88Å; M182-L238 HydrophobicContact CE-CD2 4.43Å; V192-L238 HydrophobicContact CG1-CD1 4.32Å; V192-L238 HydrophobicContact CG2-CD2 4.19Å; I228-L238 HydrophobicContact CD1-CD2 3.79Å; I236-L238 HydrophobicContact CG1-CD2 4.33Å; L238-K242 HydrophobicContact CD1-CB 4.27Å
239P93.7Very high93.3Very high8 Ų867.3 Ų67.35%0.05236%0.359CS..PPolyproline II helixtrans-67.7172.5176.529.7-35.6000111.9V102 G241 K242V102-P239 HydrophobicContact CG1-CG 4.28Å; P239-G241 PolarHBondContact O-N 3.17Å; P239-K242 PolarHBondContact O-N 2.77Å
240K90.4Very high93.2Very high190 Ų19071.2 Ų71.283%0.82638%0.377SS*.THydrogen-bonded Turntrans-50.1130.6177.6-172.2174-176.9172.70111.1
241G90.2Very high93.1Very high41 Ų4169 Ų6942%0.42337%0.368SS..THydrogen-bonded Turntrans87.1-0.5-176.500000114.7P239 G243 V244P239-G241 PolarHBondContact O-N 3.17Å; G241-G243 PolarHBondContact O-N 3.29Å; G241-V244 WeakPolarHBondContact O-CB 3.18Å; G241-V244 PolarHBondContact O-N 3.12Å
242K93.5Very high93.2Very high154 Ų15475.7 Ų75.767%0.6739%0.385SS*.THydrogen-bonded Turntrans51.428173.2-59.7-176179.9-179.90114.3L238 P239 V244L238-K242 HydrophobicContact CD1-CB 4.27Å; P239-K242 PolarHBondContact O-N 2.77Å; K242-V244 VanDerWaalsContact C-N 3.33Å
243G92.4Very high93.6Very high2 Ų273.3 Ų73.32%0.02137%0.372CS..THydrogen-bonded Turntrans76.612.5-179.100000115.6V105 R191 V192 G241V105-G243 VanDerWaalsContact CG1-C 3.45Å; R191-G243 CarbonylContact C-O 3.6Å; R191-G243 VanDerWaalsContact CA-O 3.26Å; R191-G243 WeakPolarHBondContact CA-O 3.5Å; V192-G243 PolarHBondContact N-O 3.02Å; G241-G243 PolarHBondContact O-N 3.29Å
244V95Very high93.6Very high20 Ų2071.1 Ų71.112%0.12136%0.362CS..  trans-85.1122.7174.5-177.60000109.9S213 Q214 G241 K242S213-V244 WeakPolarHBondContact OG-CG2 3.41Å; Q214-V244 HydrophobicContact CB-CG1 4.43Å; Q214-V244 HydrophobicContact CG-CG1 3.79Å; G241-V244 WeakPolarHBondContact O-CB 3.18Å; G241-V244 PolarHBondContact O-N 3.12Å; K242-V244 VanDerWaalsContact C-N 3.33Å
245K93.9Very high93.5Very high76 Ų7675.1 Ų75.133%0.3337%0.371SS..  trans-96.7108.9179.6-174.6175.5-177.3173.50109.9V105 R191V105-K245 HydrophobicContact CB-CB 4.12Å; V105-K245 HydrophobicContact CB-CG 4.4Å; R191-K245 HydrophobicContact CG-CB 3.89Å; R191-K245 HydrophobicContact CG-CD 4.27Å
246L93.5Very high93.4Very high45 Ų4576.9 Ų76.924%0.23638%0.383CS..  trans-64153.4173.5-60.6177.3000111.4E250 E251 K254L246-E250 HydrophobicContact CB-CB 4.05Å; L246-E251 HydrophobicContact CB-CB 4.44Å; L246-K254 HydrophobicContact CD1-CD 3.88Å
247S93.4Very high93.4Very high56 Ų5679.2 Ų79.239%0.39240%0.403SS..  trans-63.3164.1168.370.30000111.1A249 E250 E251S247-A249 VanDerWaalsContact C-N 3.26Å; S247-A249 PolarHBondContact O-N 2.62Å; S247-E250 WeakPolarHBondContact CB-OE2 3.23Å; S247-E250 PolarHBondContact N-OE2 3.06Å; S247-E250 PolarHBondContact O-N 2.89Å; S247-E250 WeakPolarHBondContact OG-CB 3.39Å; S247-E250 VanDerWaalsContact OG-CD 3.23Å; S247-E250 WeakPolarHBondContact OG-CG 3.36Å; S247-E250 PolarHBondContact OG-N 2.73Å; S247-E250 PolarHBondContact OG-OE2 3.17Å; S247-E251 VanDerWaalsContact O-CB 3.3Å; S247-E251 WeakPolarHBondContact O-CB 3.47Å; S247-E251 PolarHBondContact O-N 3.43Å
248I93.3Very high93.2Very high160 Ų16080.7 Ų80.782%0.82142%0.417SS*.Hα-helixtrans-63.1-37.2-179.1-60173.6000110.7R252I248-R252 WeakPolarHBondContact O-CB 3.46Å; I248-R252 PolarHBondContact O-N 3.5Å; I248-R252 VanDerWaalsContact O-N 3.09Å
249A95Very high93.1Very high59 Ų5987.1 Ų87.149%0.48844%0.444SS..Hα-helixtrans-66.7-5317700000111.4S247 E251 R252 D253S247-A249 VanDerWaalsContact C-N 3.26Å; S247-A249 PolarHBondContact O-N 2.62Å; A249-E251 VanDerWaalsContact C-N 3.28Å; A249-E251 PolarHBondContact O-N 2.78Å; A249-R252 WeakPolarHBondContact O-CA 3.11Å; A249-R252 VanDerWaalsContact O-CB 3.3Å; A249-R252 WeakPolarHBondContact O-CB 3.45Å; A249-R252 PolarHBondContact O-N 3.18Å; A249-D253 VanDerWaalsContact O-CG 3.28Å; A249-D253 PolarHBondContact O-N 3.12Å
250E93.9Very high92.7Very high82 Ų8292.2 Ų92.238%0.38348%0.475SS..Hα-helixtrans-59.5-38.7179.1-69.1165.2141.600112.5L246 S247 R252 D253 K254L246-E250 HydrophobicContact CB-CB 4.05Å; S247-E250 WeakPolarHBondContact CB-OE2 3.23Å; S247-E250 PolarHBondContact N-OE2 3.06Å; S247-E250 PolarHBondContact O-N 2.89Å; S247-E250 WeakPolarHBondContact OG-CB 3.39Å; S247-E250 VanDerWaalsContact OG-CD 3.23Å; S247-E250 WeakPolarHBondContact OG-CG 3.36Å; S247-E250 PolarHBondContact OG-N 2.73Å; S247-E250 PolarHBondContact OG-OE2 3.17Å; E250-R252 VanDerWaalsContact C-N 3.33Å; E250-D253 PolarHBondContact O-N 3.41Å; E250-K254 WeakPolarHBondContact O-CB 3.13Å; E250-K254 PolarHBondContact O-N 2.94Å
251E92Very high91.2Very high43 Ų4393.5 Ų93.520%0.20148%0.483CS..Hα-helixtrans-67.2-34.4176.1178.972.4-164.600111.8K106 L246 S247 A249 R255K106-E251 WeakPolarHBondContact CE-OE1 3.31Å; K106-E251 IonicContact NZ-OE1 3.6Å; K106-E251 PolarHBondContact NZ-OE1 3.36Å; L246-E251 HydrophobicContact CB-CB 4.44Å; S247-E251 VanDerWaalsContact O-CB 3.3Å; S247-E251 WeakPolarHBondContact O-CB 3.47Å; S247-E251 PolarHBondContact O-N 3.43Å; A249-E251 VanDerWaalsContact C-N 3.28Å; A249-E251 PolarHBondContact O-N 2.78Å; E251-R255 VanDerWaalsContact O-CG 3.3Å; E251-R255 WeakPolarHBondContact O-CG 3.49Å; E251-R255 PolarHBondContact O-N 3.39Å; E251-R255 IonicContact OE1-CZ 2.82Å; E251-R255 IonicContact OE1-NE 3.19Å; E251-R255 PolarHBondContact OE1-NE 3.14Å; E251-R255 IonicContact OE1-NH2 2.65Å; E251-R255 PolarHBondContact OE1-NH2 2.99Å
252R93.1Very high91.3Very high169 Ų16996.1 Ų96.164%0.63849%0.486SS*.Hα-helixtrans-66-51.3172.9176-164.6175.8-160-1.4109.9I248 A249 E250 K254 R255 L256I248-R252 WeakPolarHBondContact O-CB 3.46Å; I248-R252 PolarHBondContact O-N 3.5Å; I248-R252 VanDerWaalsContact O-N 3.09Å; A249-R252 WeakPolarHBondContact O-CA 3.11Å; A249-R252 VanDerWaalsContact O-CB 3.3Å; A249-R252 WeakPolarHBondContact O-CB 3.45Å; A249-R252 PolarHBondContact O-N 3.18Å; E250-R252 VanDerWaalsContact C-N 3.33Å; R252-K254 VanDerWaalsContact C-N 3.32Å; R252-K254 PolarHBondContact O-N 3.26Å; R252-R255 WeakPolarHBondContact O-CB 3.45Å; R252-R255 PolarHBondContact O-N 2.85Å; R252-L256 HydrophobicContact CG-CD1 4.02Å; R252-L256 HydrophobicContact CG-CG 4.46Å; R252-L256 PolarHBondContact O-N 3.45Å
253D95.3Very high91.2Very high88 Ų8893.1 Ų93.147%0.47148%0.477SS..Hα-helixtrans-63.2-42.6-175-61-20.9000110.6A249 E250 R255 L256 A257A249-D253 VanDerWaalsContact O-CG 3.28Å; A249-D253 PolarHBondContact O-N 3.12Å; E250-D253 PolarHBondContact O-N 3.41Å; D253-R255 VanDerWaalsContact C-N 3.28Å; D253-R255 PolarHBondContact O-N 2.94Å; D253-L256 PolarHBondContact O-N 3.44Å; D253-L256 VanDerWaalsContact O-N 3.16Å; D253-A257 WeakPolarHBondContact O-CB 3.38Å; D253-A257 PolarHBondContact O-N 3.22Å
254K92.3Very high91.1Very high118 Ų11898.1 Ų98.151%0.51350%0.502SS..Hα-helixtrans-58.3-37.1172.9-174.7174.1-174.2169.40113.3L246 E250 R252 A258L246-K254 HydrophobicContact CD1-CD 3.88Å; E250-K254 WeakPolarHBondContact O-CB 3.13Å; E250-K254 PolarHBondContact O-N 2.94Å; R252-K254 VanDerWaalsContact C-N 3.32Å; R252-K254 PolarHBondContact O-N 3.26Å; K254-A258 WeakPolarHBondContact O-CB 3.26Å; K254-A258 PolarHBondContact O-N 2.9Å
255R92Very high90.9Very high135 Ų135102.7 Ų102.751%0.50953%0.525SS..Hα-helixtrans-74.5-35.6177-75.9-179.2-165.3178.613.4112.7E251 R252 D253 K259E251-R255 VanDerWaalsContact O-CG 3.3Å; E251-R255 WeakPolarHBondContact O-CG 3.49Å; E251-R255 PolarHBondContact O-N 3.39Å; E251-R255 IonicContact OE1-CZ 2.82Å; E251-R255 IonicContact OE1-NE 3.19Å; E251-R255 PolarHBondContact OE1-NE 3.14Å; E251-R255 IonicContact OE1-NH2 2.65Å; E251-R255 PolarHBondContact OE1-NH2 2.99Å; R252-R255 WeakPolarHBondContact O-CB 3.45Å; R252-R255 PolarHBondContact O-N 2.85Å; D253-R255 VanDerWaalsContact C-N 3.28Å; D253-R255 PolarHBondContact O-N 2.94Å; R255-K259 PolarHBondContact O-N 3.14Å
256L93.9Very high90.7Very high85 Ų85104.4 Ų104.445%0.44554%0.537SS..Hα-helixtrans-66.9-47.6176.1-70.1173.4000110.1R252 D253 A258 K259 T260R252-L256 HydrophobicContact CG-CD1 4.02Å; R252-L256 HydrophobicContact CG-CG 4.46Å; R252-L256 PolarHBondContact O-N 3.45Å; D253-L256 PolarHBondContact O-N 3.44Å; D253-L256 VanDerWaalsContact O-N 3.16Å; L256-A258 PolarHBondContact O-N 3.15Å; L256-K259 PolarHBondContact O-N 3.14Å; L256-T260 PolarHBondContact O-N 2.97Å; L256-T260 PolarHBondContact O-OG1 3.29Å
257A94.3Very high90.5Very high53 Ų53108.3 Ų108.344%0.43856%0.557SS.*Hα-helixtrans-57.3-36.717600000112.8D253 K259 T260 H261D253-A257 WeakPolarHBondContact O-CB 3.38Å; D253-A257 PolarHBondContact O-N 3.22Å; A257-K259 VanDerWaalsContact C-N 3.29Å; A257-K259 PolarHBondContact O-N 3.29Å; A257-T260 WeakPolarHBondContact CA-OG1 3.43Å; A257-T260 PolarHBondContact O-OG1 3.18Å; A257-H261 PolarHBondContact O-CD2 3.4Å
258A91.9Very high90.3Very high71 Ų71112.1 Ų112.159%0.58757%0.569SS**THydrogen-bonded Turntrans-76.5-9.4177.500000114.8K254 L256K254-A258 WeakPolarHBondContact O-CB 3.26Å; K254-A258 PolarHBondContact O-N 2.9Å; L256-A258 PolarHBondContact O-N 3.15Å
259K91.6Very high90Very high174 Ų174108.4 Ų108.476%0.75755%0.549SS*.THydrogen-bonded Turntrans-96.9-24.6175-78.3-177.1175.7-170.10112.9R255 L256 A257R255-K259 PolarHBondContact O-N 3.14Å; L256-K259 PolarHBondContact O-N 3.14Å; A257-K259 VanDerWaalsContact C-N 3.29Å; A257-K259 PolarHBondContact O-N 3.29Å
260T86.8Confident89.6Confident115 Ų115112.5 Ų112.571%0.70655%0.554SS**  trans-77.2-12.8177.734.50000113L256 A257L256-T260 PolarHBondContact O-N 2.97Å; L256-T260 PolarHBondContact O-OG1 3.29Å; A257-T260 WeakPolarHBondContact CA-OG1 3.43Å; A257-T260 PolarHBondContact O-OG1 3.18Å
261H58.5Low89.2Confident217 Ų217115.3 Ų115.3100%1.00557%0.57SS**  trans-1060167.6-67.4-65.7000109.7A257A257-H261 PolarHBondContact O-CD2 3.4Å

Retrieved 261 of 261 residues in 174.7 ms (Link to these results)

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