A0A077ZMJ1_TRITR Loading...

Neurogenic locus notch protein 4

AlphaFold DB , UniProt , Accession A0A077ZMJ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 339 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
1M40.8Very low54.9Low234 Ų234101.5 Ų101.5100%1.15352%0.516SS*.  096.60-156.6163.5-177.300106C3M1-C3 PolarHBondContact O-N 2.94Å
2I38.9Very low55.4Low119 Ų119103.2 Ų103.261%0.6152%0.52SS*.  trans-82.1111.8-170.3-57.9178.5000106.9V4 F38I2-V4 PolarHBondContact O-N 3.3Å; I2-V4 VanDerWaalsContact O-N 3.12Å; I2-F38 HydrophobicContact CD1-CD2 4.27Å; I2-F38 HydrophobicContact CD1-CE2 3.52Å; I2-F38 HydrophobicContact CD1-CZ 4.25Å
3C37.1Very low55.4Low112 Ų112103.7 Ų103.776%0.75752%0.519SS*.  trans-66.4108.1178.1-71.10000109.4M1 N5M1-C3 PolarHBondContact O-N 2.94Å; C3-N5 PolarHBondContact O-N 3.2Å
4V55.5Low55.6Low43 Ų4398.6 Ų98.626%0.26150%0.498SS..  trans-69.9111.7159.4-172.30000105.9I2 C6I2-V4 PolarHBondContact O-N 3.3Å; I2-V4 VanDerWaalsContact O-N 3.12Å; V4-C6 WeakPolarHBondContact CG1-SG 3.38Å; V4-C6 PolarHBondContact O-N 2.8Å
5N56.6Low55.8Low122 Ų12296.6 Ų96.665%0.65249%0.486SS*.  trans-73.581.9172.3-103.4-5.3000108.6C3 A34C3-N5 PolarHBondContact O-N 3.2Å; N5-A34 HydrophobicContact CB-CB 3.93Å; N5-A34 WeakPolarHBondContact O-CB 3.34Å; N5-A34 PolarHBondContact O-N 2.85Å
6C60.2Low56.1Low14 Ų1494.5 Ų94.510%0.09547%0.473CS..EExtended strand (participates in β ladder)trans-85.4114.7168.5-65.50000107.8V4 Y8 C42V4-C6 WeakPolarHBondContact CG1-SG 3.38Å; V4-C6 PolarHBondContact O-N 2.8Å; C6-Y8 HydrophobicContact CB-CD1 3.72Å; C6-Y8 HydrophobicContact CB-CE1 3.39Å; C6-Y8 WeakPolarHBondContact O-CD1 3.17Å; C6-Y8 WeakPolarHBondContact O-CE1 3.23Å; C6-Y8 VanDerWaalsContact O-CZ 3.23Å; C6-C42 WeakPolarHBondContact CA-SG 3.47Å; C6-C42 HydrophobicContact CB-CB 3.97Å; C6-C42 WeakPolarHBondContact CB-SG 3.45Å; C6-C42 WeakPolarHBondContact SG-CA 3.4Å; C6-C42 WeakPolarHBondContact SG-CB 3.17Å; C6-C42 CovalentContact SG-SG 2.03Å; C6-C42 PolarHBondContact SG-SG 2.73Å
7N66.1Low56.5Low85 Ų8589.9 Ų89.946%0.45545%0.45SS..EExtended strand (participates in β ladder)trans-89.1115.6171.8-156-12000107.9I30 L31 S32N7-I30 CarbonylContact O-C 3.54Å; N7-L31 HydrophobicContact CB-CB 4.25Å; N7-L31 PolarHBondContact O-N 3.11Å; N7-S32 VanDerWaalsContact CB-OG 3.27Å; N7-S32 WeakPolarHBondContact CB-OG 3.24Å; N7-S32 PolarHBondContact N-O 2.8Å; N7-S32 PolarHBondContact O-N 2.84Å
8Y64.5Low56.9Low125 Ų12592.3 Ų92.349%0.4946%0.464SS..EExtended strand (participates in β ladder)trans-113.8135.4-175.99.6-107.5000111.1C6 V28 S29 W50C6-Y8 HydrophobicContact CB-CD1 3.72Å; C6-Y8 HydrophobicContact CB-CE1 3.39Å; C6-Y8 WeakPolarHBondContact O-CD1 3.17Å; C6-Y8 WeakPolarHBondContact O-CE1 3.23Å; C6-Y8 VanDerWaalsContact O-CZ 3.23Å; Y8-V28 HydrophobicContact CD1-CG1 4.43Å; Y8-V28 HydrophobicContact CG-CG1 4.41Å; Y8-S29 CarbonylContact C-O 3.58Å; Y8-S29 WeakPolarHBondContact CA-O 3.34Å; Y8-W50 HydrophobicContact CD2-CH2 4.48Å
9K65Low57.5Low120 Ų12093.7 Ų93.752%0.52248%0.479SS..EExtended strand (participates in β ladder)trans-105.9130.7165.4-169.7170.6177.5-177.40108.8V11 S29 L31K9-V11 HydrophobicContact CB-CG2 4.24Å; K9-V11 HydrophobicContact CD-CG2 4.4Å; K9-V11 HydrophobicContact CG-CG2 4.1Å; K9-V11 PolarHBondContact O-N 2.83Å; K9-S29 PolarHBondContact N-O 3.41Å; K9-S29 PolarHBondContact O-N 2.82Å; K9-L31 HydrophobicContact CB-CD1 3.71Å; K9-L31 HydrophobicContact CB-CD2 3.78Å; K9-L31 HydrophobicContact CB-CG 3.6Å; K9-L31 HydrophobicContact CD-CD1 4.44Å; K9-L31 HydrophobicContact CD-CD2 3.94Å; K9-L31 HydrophobicContact CG-CD1 4.49Å
10K60.7Low58.4Low108 Ų10891.7 Ų91.747%0.4747%0.469SS..EExtended strand (participates in β ladder)trans-68.1114.2164.2-175.1177.3176.9-174.90107.7Y26 W50K10-Y26 HydrophobicContact CD-CD1 4.14Å; K10-Y26 HydrophobicContact CD-CE1 4.44Å; K10-Y26 HydrophobicContact CG-CD1 3.94Å; K10-Y26 HydrophobicContact CG-CG 4.38Å; K10-W50 HydrophobicContact CB-CH2 4.41Å; K10-W50 HydrophobicContact CB-CZ3 4.25Å
11V58.8Low58.8Low35 Ų3593 Ų9321%0.21248%0.477CS..EExtended strand (participates in β ladder)trans-115.5130.8174.2-165.80000108.4K9 H13 A27K9-V11 HydrophobicContact CB-CG2 4.24Å; K9-V11 HydrophobicContact CD-CG2 4.4Å; K9-V11 HydrophobicContact CG-CG2 4.1Å; K9-V11 PolarHBondContact O-N 2.83Å; V11-H13 WeakPolarHBondContact CG1-CD2 3.47Å; V11-H13 WeakPolarHBondContact CG1-NE2 3.49Å; V11-H13 PolarHBondContact O-N 2.9Å; V11-A27 PolarHBondContact N-O 2.99Å; V11-A27 VanDerWaalsContact N-O 3.17Å; V11-A27 PolarHBondContact O-N 2.83Å; V11-A27 VanDerWaalsContact O-N 3.12Å
12E61Low59.8Low121 Ų12186.6 Ų86.657%0.56544%0.443SS*.EExtended strand (participates in β ladder)trans-78.485-180-59.9-156151.400110.4K25 Y26E12-K25 CarbonylContact C-O 3.53Å; E12-K25 WeakPolarHBondContact CA-O 3.5Å; E12-Y26 HydrophobicContact CG-CD1 4.16Å; E12-Y26 HydrophobicContact CG-CE1 3.92Å
13H55.6Low60.7Low110 Ų11085.2 Ų85.251%0.50943%0.43SS..EExtended strand (participates in β ladder)trans-135.5148.8172.8-68.9-54.6000110V11 H15 K25 Y26V11-H13 WeakPolarHBondContact CG1-CD2 3.47Å; V11-H13 WeakPolarHBondContact CG1-NE2 3.49Å; V11-H13 PolarHBondContact O-N 2.9Å; H13-H15 PolarHBondContact O-N 2.74Å; H13-K25 CarbonylContact C-O 3.59Å; H13-K25 PolarHBondContact N-O 2.7Å; H13-K25 VanDerWaalsContact N-O 3.11Å; H13-K25 CarbonylContact O-C 3.5Å; H13-Y26 PolarHBondContact O-N 2.98Å
14C58.3Low61.9Low32 Ų3280.3 Ų80.322%0.21640%0.395CS..EExtended strand (participates in β ladder)trans-75.8124177.7-58.10000110.5W23 Y24 C57C14-W23 HydrophobicContact CB-CE3 3.97Å; C14-W23 HydrophobicContact CB-CZ3 4.15Å; C14-Y24 CarbonylContact C-O 3.48Å; C14-Y24 WeakPolarHBondContact CA-O 3.42Å; C14-C57 WeakPolarHBondContact CA-SG 3.06Å; C14-C57 HydrophobicContact CB-CB 3.72Å; C14-C57 WeakPolarHBondContact CB-SG 2.99Å; C14-C57 WeakPolarHBondContact SG-CA 3.42Å; C14-C57 WeakPolarHBondContact SG-CB 3.2Å; C14-C57 CovalentContact SG-SG 2.04Å; C14-C57 PolarHBondContact SG-SG 3.5Å
15H58.3Low62Low69 Ų6980.7 Ų80.732%0.31939%0.394SS..EExtended strand (participates in β ladder)trans-124.3128.9179.3179.280.6000109.4H13 W23 Y24 A27 I46H13-H15 PolarHBondContact O-N 2.74Å; H15-W23 CarbonylContact O-C 3.59Å; H15-W23 WeakPolarHBondContact O-CA 2.98Å; H15-Y24 PolarHBondContact N-O 2.88Å; H15-Y24 PolarHBondContact O-N 2.79Å; H15-A27 HydrophobicContact CB-CB 4.48Å; H15-I46 HydrophobicContact CB-CD1 3.99Å; H15-I46 WeakPolarHBondContact CD2-CD1 3.32Å
16F60.8Low62.2Low63 Ų6376.1 Ų76.128%0.27637%0.368SS..EExtended strand (participates in β ladder)trans-88.6127.6172-174.6-106.9000109.1D18 N21 K22 W23F16-D18 VanDerWaalsContact CD1-OD1 3.22Å; F16-D18 WeakPolarHBondContact CD1-OD1 3.26Å; F16-D18 VanDerWaalsContact CE1-OD1 3.28Å; F16-D18 WeakPolarHBondContact CE1-OD1 3.38Å; F16-N21 VanDerWaalsContact CE2-C 3.45Å; F16-N21 HydrophobicContact CE2-CB 4.46Å; F16-N21 HydrophobicContact CZ-CB 4.01Å; F16-K22 WeakPolarHBondContact CA-O 3Å; F16-W23 HydrophobicContact CB-CD2 3.89Å; F16-W23 HydrophobicContact CB-CE3 3.91Å; F16-W23 HydrophobicContact CB-CH2 3.86Å; F16-W23 HydrophobicContact CB-CZ2 3.83Å; F16-W23 HydrophobicContact CB-CZ3 3.9Å; F16-W23 AromaticContact CD2-CD1 3.64Å; F16-W23 AromaticContact CD2-CD2 3.96Å; F16-W23 HydrophobicContact CD2-CD2 3.96Å; F16-W23 AromaticContact CD2-CE2 3.58Å; F16-W23 HydrophobicContact CD2-CG 4.02Å; F16-W23 HydrophobicContact CD2-CZ2 4.14Å; F16-W23 AromaticContact CD2-NE1 3.35Å; F16-W23 VanDerWaalsContact CD2-NE1 3.35Å; F16-W23 AromaticContact CE2-NE1 3.93Å; F16-W23 HydrophobicContact CG-CD2 4.42Å; F16-W23 HydrophobicContact CG-CZ2 4.25Å
17D63.2Low62.1Low17 Ų1776.6 Ų76.69%0.09137%0.372CS..EExtended strand (participates in β ladder)trans-98.7109.5175.4-170.8-34.8000109.7T19 D20 N21 K22 Y24 K51D17-T19 PolarHBondContact O-N 3.08Å; D17-T19 VanDerWaalsContact O-N 3.14Å; D17-T19 VanDerWaalsContact OD1-CB 3.3Å; D17-T19 WeakPolarHBondContact OD1-CB 3.42Å; D17-T19 PolarHBondContact OD1-N 3.21Å; D17-T19 PolarHBondContact OD1-OG1 2.76Å; D17-D20 WeakPolarHBondContact CB-OD1 3.15Å; D17-D20 PolarHBondContact O-N 2.79Å; D17-N21 WeakPolarHBondContact O-CA 3.5Å; D17-N21 PolarHBondContact O-N 2.01Å; D17-K22 PolarHBondContact N-O 3.11Å; D17-Y24 HydrophobicContact CB-CD2 3.85Å; D17-Y24 HydrophobicContact CB-CE2 3.58Å; D17-K51 WeakPolarHBondContact OD2-CE 3.29Å; D17-K51 IonicContact OD2-NZ 3.13Å; D17-K51 PolarHBondContact OD2-NZ 2.94Å
18D63.6Low61.5Low132 Ų13273.9 Ų73.971%0.70636%0.359SS*.THydrogen-bonded Turntrans-63.7-16.7-179-65-37000113.1F16F16-D18 VanDerWaalsContact CD1-OD1 3.22Å; F16-D18 WeakPolarHBondContact CD1-OD1 3.26Å; F16-D18 VanDerWaalsContact CE1-OD1 3.28Å; F16-D18 WeakPolarHBondContact CE1-OD1 3.38Å
19T68.3Low61.1Low120 Ų12070.3 Ų70.374%0.73635%0.352SS*.THydrogen-bonded Turntrans-79.3-30.8-178.267.20000113D17D17-T19 PolarHBondContact O-N 3.08Å; D17-T19 VanDerWaalsContact O-N 3.14Å; D17-T19 VanDerWaalsContact OD1-CB 3.3Å; D17-T19 WeakPolarHBondContact OD1-CB 3.42Å; D17-T19 PolarHBondContact OD1-N 3.21Å; D17-T19 PolarHBondContact OD1-OG1 2.76Å
20D75.7Confident60.8Low52 Ų5267.2 Ų67.228%0.27834%0.341SS..THydrogen-bonded Turntrans-122.41.6179.855.837000113.9D17 K22 Y24 K51D17-D20 WeakPolarHBondContact CB-OD1 3.15Å; D17-D20 PolarHBondContact O-N 2.79Å; D20-K22 VanDerWaalsContact C-N 3.27Å; D20-K22 PolarHBondContact O-N 3.28Å; D20-K22 WeakPolarHBondContact OD1-CB 3.49Å; D20-K22 PolarHBondContact OD1-N 3.05Å; D20-Y24 PolarHBondContact OD2-OH 3.05Å; D20-K51 IonicContact OD2-NZ 3.91Å; D20-K51 PolarHBondContact OD2-NZ 2.9Å
21N65Low60.7Low121 Ų12166.7 Ų66.765%0.64734%0.343SS*.THydrogen-bonded Turntrans56.236.9-178.1-63.8-51.1000113F16 D17F16-N21 VanDerWaalsContact CE2-C 3.45Å; F16-N21 HydrophobicContact CE2-CB 4.46Å; F16-N21 HydrophobicContact CZ-CB 4.01Å; D17-N21 WeakPolarHBondContact O-CA 3.5Å; D17-N21 PolarHBondContact O-N 2.01Å
22K63.3Low60.7Low99 Ų9967.9 Ų67.943%0.4335%0.353SS..EExtended strand (participates in β ladder)trans-120.7157.3179.7-64.6179.8177.1-172.50112.9F16 D17 D20 Y24F16-K22 WeakPolarHBondContact CA-O 3Å; D17-K22 PolarHBondContact N-O 3.11Å; D20-K22 VanDerWaalsContact C-N 3.27Å; D20-K22 PolarHBondContact O-N 3.28Å; D20-K22 WeakPolarHBondContact OD1-CB 3.49Å; D20-K22 PolarHBondContact OD1-N 3.05Å; K22-Y24 HydrophobicContact CB-CE2 4.19Å
23W58.2Low60.4Low89 Ų8967.4 Ų67.434%0.33735%0.35SS..EExtended strand (participates in β ladder)trans-99.6134.9174-71.990.1000111.7C14 H15 F16C14-W23 HydrophobicContact CB-CE3 3.97Å; C14-W23 HydrophobicContact CB-CZ3 4.15Å; H15-W23 CarbonylContact O-C 3.59Å; H15-W23 WeakPolarHBondContact O-CA 2.98Å; F16-W23 HydrophobicContact CB-CD2 3.89Å; F16-W23 HydrophobicContact CB-CE3 3.91Å; F16-W23 HydrophobicContact CB-CH2 3.86Å; F16-W23 HydrophobicContact CB-CZ2 3.83Å; F16-W23 HydrophobicContact CB-CZ3 3.9Å; F16-W23 AromaticContact CD2-CD1 3.64Å; F16-W23 AromaticContact CD2-CD2 3.96Å; F16-W23 HydrophobicContact CD2-CD2 3.96Å; F16-W23 AromaticContact CD2-CE2 3.58Å; F16-W23 HydrophobicContact CD2-CG 4.02Å; F16-W23 HydrophobicContact CD2-CZ2 4.14Å; F16-W23 AromaticContact CD2-NE1 3.35Å; F16-W23 VanDerWaalsContact CD2-NE1 3.35Å; F16-W23 AromaticContact CE2-NE1 3.93Å; F16-W23 HydrophobicContact CG-CD2 4.42Å; F16-W23 HydrophobicContact CG-CZ2 4.25Å
24Y61.1Low60.2Low9 Ų964.4 Ų64.44%0.03535%0.345CS..EExtended strand (participates in β ladder)trans-120.7146.1177.6-63.1-70000110.8C14 H15 D17 D20 K22 Y26 I46 K51C14-Y24 CarbonylContact C-O 3.48Å; C14-Y24 WeakPolarHBondContact CA-O 3.42Å; H15-Y24 PolarHBondContact N-O 2.88Å; H15-Y24 PolarHBondContact O-N 2.79Å; D17-Y24 HydrophobicContact CB-CD2 3.85Å; D17-Y24 HydrophobicContact CB-CE2 3.58Å; D20-Y24 PolarHBondContact OD2-OH 3.05Å; K22-Y24 HydrophobicContact CB-CE2 4.19Å; Y24-Y26 VanDerWaalsContact C-N 3.27Å; Y24-Y26 PolarHBondContact O-N 2.96Å; Y24-I46 HydrophobicContact CD2-CD1 3.95Å; Y24-I46 HydrophobicContact CG-CD1 4.01Å; Y24-K51 HydrophobicContact CD1-CB 3.91Å; Y24-K51 HydrophobicContact CD1-CG 4.22Å; Y24-K51 HydrophobicContact CD2-CG 4.39Å; Y24-K51 HydrophobicContact CE1-CB 3.49Å; Y24-K51 VanDerWaalsContact CE1-CB 3.49Å; Y24-K51 HydrophobicContact CE1-CD 4.32Å; Y24-K51 HydrophobicContact CE1-CG 3.91Å; Y24-K51 HydrophobicContact CE2-CD 4.05Å; Y24-K51 HydrophobicContact CE2-CG 4.06Å; Y24-K51 HydrophobicContact CG-CG 4.45Å
25K58.2Low59.9Low52 Ų5272 Ų7223%0.22638%0.377CS..EExtended strand (participates in β ladder)trans-78.9-5.7-179.2-161.3-178.7-174.9168.50115.4E12 H13 S54 T56 C57E12-K25 CarbonylContact C-O 3.53Å; E12-K25 WeakPolarHBondContact CA-O 3.5Å; H13-K25 CarbonylContact C-O 3.59Å; H13-K25 PolarHBondContact N-O 2.7Å; H13-K25 VanDerWaalsContact N-O 3.11Å; H13-K25 CarbonylContact O-C 3.5Å; K25-S54 VanDerWaalsContact CB-CB 3.43Å; K25-S54 WeakPolarHBondContact CB-OG 3.21Å; K25-T56 WeakPolarHBondContact CD-OG1 3.01Å; K25-T56 WeakPolarHBondContact CE-OG1 3.45Å; K25-T56 PolarHBondContact NZ-OG1 3.47Å; K25-C57 WeakPolarHBondContact CA-SG 3.28Å
26Y61.2Low59.5Low26 Ų2669.5 Ų69.510%0.10237%0.367CS..EExtended strand (participates in β ladder)trans-128.3115.1-168.9-53.1-66.2000107.9K10 E12 H13 Y24 I46 R52K10-Y26 HydrophobicContact CD-CD1 4.14Å; K10-Y26 HydrophobicContact CD-CE1 4.44Å; K10-Y26 HydrophobicContact CG-CD1 3.94Å; K10-Y26 HydrophobicContact CG-CG 4.38Å; E12-Y26 HydrophobicContact CG-CD1 4.16Å; E12-Y26 HydrophobicContact CG-CE1 3.92Å; H13-Y26 PolarHBondContact O-N 2.98Å; Y24-Y26 VanDerWaalsContact C-N 3.27Å; Y24-Y26 PolarHBondContact O-N 2.96Å; Y26-I46 WeakPolarHBondContact O-CD1 3.25Å; Y26-I46 VanDerWaalsContact O-CG1 3.28Å; Y26-I46 WeakPolarHBondContact O-CG1 3.34Å; Y26-R52 HydrophobicContact CE2-CB 4.39Å
27A56.7Low59.2Low24 Ų2472 Ų7220%0.19839%0.39CS..EExtended strand (participates in β ladder)trans-92.4147.2162.700000108.4V11 H15 S29V11-A27 PolarHBondContact N-O 2.99Å; V11-A27 VanDerWaalsContact N-O 3.17Å; V11-A27 PolarHBondContact O-N 2.83Å; V11-A27 VanDerWaalsContact O-N 3.12Å; H15-A27 HydrophobicContact CB-CB 4.48Å; A27-S29 PolarHBondContact O-N 3.15Å
28V54.8Low59Low27 Ų2777.9 Ų77.916%0.16442%0.415CS..EExtended strand (participates in β ladder)trans-78.4114.6163.7-179.10000107Y8 I30 P47 W50Y8-V28 HydrophobicContact CD1-CG1 4.43Å; Y8-V28 HydrophobicContact CG-CG1 4.41Å; V28-I30 HydrophobicContact CG1-CG1 4.46Å; V28-P47 HydrophobicContact CG2-CG 4.26Å; V28-W50 HydrophobicContact CB-CZ3 4.38Å; V28-W50 HydrophobicContact CG2-CE3 3.82Å; V28-W50 HydrophobicContact CG2-CZ3 3.63Å
29S56.3Low58.7Low51 Ų5174.9 Ų74.936%0.35742%0.415SS..EExtended strand (participates in β ladder)trans-88.8119.3161-179.90000107.8Y8 K9 A27 L31Y8-S29 CarbonylContact C-O 3.58Å; Y8-S29 WeakPolarHBondContact CA-O 3.34Å; K9-S29 PolarHBondContact N-O 3.41Å; K9-S29 PolarHBondContact O-N 2.82Å; A27-S29 PolarHBondContact O-N 3.15Å; S29-L31 PolarHBondContact O-N 3.22Å
30I57.1Low58.3Low54 Ų5473.8 Ų73.828%0.27740%0.404SS..EExtended strand (participates in β ladder)trans-73106.8172.1-63168.9000106.5N7 V28 Q33 C42N7-I30 CarbonylContact O-C 3.54Å; V28-I30 HydrophobicContact CG1-CG1 4.46Å; I30-Q33 HydrophobicContact CG2-CB 4.43Å; I30-Q33 HydrophobicContact CG2-CG 3.85Å; I30-C42 HydrophobicContact CD1-CB 3.72Å; I30-C42 HydrophobicContact CG1-CB 4.32Å
31L60Low57.3Low98 Ų9875.3 Ų75.351%0.51342%0.416SS..EExtended strand (participates in β ladder)trans-72.5-34.3175.9-70.3178.4000111.6N7 K9 S29N7-L31 HydrophobicContact CB-CB 4.25Å; N7-L31 PolarHBondContact O-N 3.11Å; K9-L31 HydrophobicContact CB-CD1 3.71Å; K9-L31 HydrophobicContact CB-CD2 3.78Å; K9-L31 HydrophobicContact CB-CG 3.6Å; K9-L31 HydrophobicContact CD-CD1 4.44Å; K9-L31 HydrophobicContact CD-CD2 3.94Å; K9-L31 HydrophobicContact CG-CD1 4.49Å; S29-L31 PolarHBondContact O-N 3.22Å
32S58.9Low56.8Low60 Ų6069.7 Ų69.742%0.4239%0.387SS..EExtended strand (participates in β ladder)trans-158.1138.6170.6590000110.5N7N7-S32 VanDerWaalsContact CB-OG 3.27Å; N7-S32 WeakPolarHBondContact CB-OG 3.24Å; N7-S32 PolarHBondContact N-O 2.8Å; N7-S32 PolarHBondContact O-N 2.84Å
33Q53.1Low56.7Low110 Ų11069.4 Ų69.451%0.51440%0.395SS..EExtended strand (participates in β ladder)trans-95.7111.5165.2-101.1167.524.200107I30 Q35 C42I30-Q33 HydrophobicContact CG2-CB 4.43Å; I30-Q33 HydrophobicContact CG2-CG 3.85Å; Q33-Q35 PolarHBondContact O-N 2.04Å; Q33-C42 HydrophobicContact CG-CB 3.9Å; Q33-C42 WeakPolarHBondContact CG-SG 3.01Å
34A51.5Low56.6Low48 Ų4872 Ų7240%0.39741%0.414SS..  trans-66.7122.5156.900000107.1N5 S36N5-A34 HydrophobicContact CB-CB 3.93Å; N5-A34 WeakPolarHBondContact O-CB 3.34Å; N5-A34 PolarHBondContact O-N 2.85Å; A34-S36 PolarHBondContact O-N 3.17Å
35Q52.7Low56.4Low191 Ų19173.6 Ų73.689%0.89343%0.433SS*.  trans-56.7112.6174-83.9175.1-23.900108.5Q33Q33-Q35 PolarHBondContact O-N 2.04Å
36S49.8Very low56.5Low17 Ų1771.6 Ų71.612%0.11942%0.424CS..  trans-68.1143.2169.781.40000108.5A34 F38 G39 I40A34-S36 PolarHBondContact O-N 3.17Å; S36-F38 PolarHBondContact O-N 2.86Å; S36-G39 PolarHBondContact O-N 3.19Å; S36-G39 VanDerWaalsContact O-N 3.09Å; S36-G39 PolarHBondContact OG-N 3.5Å; S36-I40 WeakPolarHBondContact OG-CB 3.19Å; S36-I40 PolarHBondContact OG-N 2.04Å; S36-I40 PolarHBondContact OG-O 3.25Å
37P54.6Low56.7Low116 Ų11672.1 Ų72.175%0.75343%0.431SS*.THydrogen-bonded Turntrans-58.3-11.8176.9-22.130.9000114.1
38F59.7Low57.3Low140 Ų14081.7 Ų81.761%0.61446%0.462SS*.THydrogen-bonded Turntrans-110.87.7-175.9-59.7-78.9000113.3I2 S36 I40I2-F38 HydrophobicContact CD1-CD2 4.27Å; I2-F38 HydrophobicContact CD1-CE2 3.52Å; I2-F38 HydrophobicContact CD1-CZ 4.25Å; S36-F38 PolarHBondContact O-N 2.86Å; F38-I40 HydrophobicContact CB-CD1 3.97Å; F38-I40 HydrophobicContact CB-CG1 3.96Å; F38-I40 PolarHBondContact O-N 3.5Å; F38-I40 VanDerWaalsContact O-N 3.13Å
39G57.4Low58Low68 Ų6888 Ų8870%0.70149%0.489SS*.  trans65.914-179.600000114.3S36 P41S36-G39 PolarHBondContact O-N 3.19Å; S36-G39 VanDerWaalsContact O-N 3.09Å; S36-G39 PolarHBondContact OG-N 3.5Å; G39-P41 VanDerWaalsContact O-CD 3.27Å; G39-P41 WeakPolarHBondContact O-CD 3Å
40I58.7Low58.4Low98 Ų9888.5 Ų88.550%0.50348%0.484SS..  trans-69.5115.6176.5-57.2169.3000107.6S36 F38S36-I40 WeakPolarHBondContact OG-CB 3.19Å; S36-I40 PolarHBondContact OG-N 2.04Å; S36-I40 PolarHBondContact OG-O 3.25Å; F38-I40 HydrophobicContact CB-CD1 3.97Å; F38-I40 HydrophobicContact CB-CG1 3.96Å; F38-I40 PolarHBondContact O-N 3.5Å; F38-I40 VanDerWaalsContact O-N 3.13Å
41P54.5Low58.7Low84 Ų8488.6 Ų88.655%0.54548%0.482SS..PPolyproline II helixtrans-70.2157.1177.729.8-33.8000110.4G39G39-P41 VanDerWaalsContact O-CD 3.27Å; G39-P41 WeakPolarHBondContact O-CD 3Å
42C55.1Low58.6Low3 Ų392.4 Ų92.42%0.0249%0.49CS..PPolyproline II helixtrans-59.5142.1168.6-75.20000110.2C6 I30 Q33 I44C6-C42 WeakPolarHBondContact CA-SG 3.47Å; C6-C42 HydrophobicContact CB-CB 3.97Å; C6-C42 WeakPolarHBondContact CB-SG 3.45Å; C6-C42 WeakPolarHBondContact SG-CA 3.4Å; C6-C42 WeakPolarHBondContact SG-CB 3.17Å; C6-C42 CovalentContact SG-SG 2.03Å; C6-C42 PolarHBondContact SG-SG 2.73Å; I30-C42 HydrophobicContact CD1-CB 3.72Å; I30-C42 HydrophobicContact CG1-CB 4.32Å; Q33-C42 HydrophobicContact CG-CB 3.9Å; Q33-C42 WeakPolarHBondContact CG-SG 3.01Å; C42-I44 PolarHBondContact O-N 2.04Å
43P60.7Low58.5Low92 Ų9294.6 Ų94.660%0.59750%0.497SS*.PPolyproline II helixtrans-57.3125.3175.422.8-30.9000109.2G45P43-G45 VanDerWaalsContact C-N 3.28Å
44I57.1Low58.3Low145 Ų14589.7 Ų89.774%0.74448%0.475SS*.  trans-84.6-10.2-178.3-21.9175.5000111.1C42C42-I44 PolarHBondContact O-N 2.04Å
45G57Low58.3Low42 Ų4293.3 Ų93.343%0.43349%0.487SS..SBendtrans-82.5152.817900000112.9P43 P47P43-G45 VanDerWaalsContact C-N 3.28Å; G45-P47 WeakPolarHBondContact O-CD 3.28Å
46I59.9Low58.2Low10 Ų1088.1 Ų88.15%0.05147%0.468CS..PPolyproline II helixtrans-66.8125.3172.1-57.8168.7000108.5H15 Y24 Y26 R48 W50 K51H15-I46 HydrophobicContact CB-CD1 3.99Å; H15-I46 WeakPolarHBondContact CD2-CD1 3.32Å; Y24-I46 HydrophobicContact CD2-CD1 3.95Å; Y24-I46 HydrophobicContact CG-CD1 4.01Å; Y26-I46 WeakPolarHBondContact O-CD1 3.25Å; Y26-I46 VanDerWaalsContact O-CG1 3.28Å; Y26-I46 WeakPolarHBondContact O-CG1 3.34Å; I46-R48 PolarHBondContact O-N 3.49Å; I46-W50 HydrophobicContact CG2-CB 3.54Å; I46-K51 HydrophobicContact CB-CG 4.31Å; I46-K51 HydrophobicContact CG2-CG 4.05Å
47P65.3Low58.2Low37 Ų3787.5 Ų87.524%0.2446%0.464CS..PPolyproline II helixtrans-49.6139.1171.3-2833.8000110.5V28 G45 E49 W50 K51V28-P47 HydrophobicContact CG2-CG 4.26Å; G45-P47 WeakPolarHBondContact O-CD 3.28Å; P47-E49 HydrophobicContact CB-CG 4.03Å; P47-E49 PolarHBondContact O-N 3.27Å; P47-E49 VanDerWaalsContact O-N 3.09Å; P47-W50 HydrophobicContact CB-CB 4.5Å; P47-W50 HydrophobicContact CB-CD2 4.37Å; P47-W50 HydrophobicContact CB-CG 4.18Å; P47-W50 HydrophobicContact CG-CD2 4.02Å; P47-W50 HydrophobicContact CG-CE3 4.22Å; P47-W50 HydrophobicContact CG-CG 4.33Å; P47-W50 WeakPolarHBondContact O-CA 3.39Å; P47-W50 WeakPolarHBondContact O-CB 3.35Å; P47-W50 PolarHBondContact O-N 2.99Å; P47-K51 PolarHBondContact O-N 2.97Å
48R68.7Low58.1Low224 Ų22484.5 Ų84.585%0.84545%0.445SS*.G310 helixtrans-55.8-33.1-176.8-73-174.9178.3-175.2-0.6112.1I46 W50 K51I46-R48 PolarHBondContact O-N 3.49Å; R48-W50 PolarHBondContact O-N 3.4Å; R48-K51 WeakPolarHBondContact O-CB 3.24Å; R48-K51 PolarHBondContact O-N 3.35Å
49E69.6Low57.4Low159 Ų15981.6 Ų81.674%0.74343%0.434SS*.G310 helixtrans-65.9-19.1174.160.8-112.3-146.700114.9P47P47-E49 HydrophobicContact CB-CG 4.03Å; P47-E49 PolarHBondContact O-N 3.27Å; P47-E49 VanDerWaalsContact O-N 3.09Å
50W64.2Low56.4Low63 Ų6380.1 Ų80.124%0.23942%0.415CS..G310 helixtrans-98.4-12.3-179.9-64.39.8000112.6Y8 K10 V28 I46 P47 R48 R52Y8-W50 HydrophobicContact CD2-CH2 4.48Å; K10-W50 HydrophobicContact CB-CH2 4.41Å; K10-W50 HydrophobicContact CB-CZ3 4.25Å; V28-W50 HydrophobicContact CB-CZ3 4.38Å; V28-W50 HydrophobicContact CG2-CE3 3.82Å; V28-W50 HydrophobicContact CG2-CZ3 3.63Å; I46-W50 HydrophobicContact CG2-CB 3.54Å; P47-W50 HydrophobicContact CB-CB 4.5Å; P47-W50 HydrophobicContact CB-CD2 4.37Å; P47-W50 HydrophobicContact CB-CG 4.18Å; P47-W50 HydrophobicContact CG-CD2 4.02Å; P47-W50 HydrophobicContact CG-CE3 4.22Å; P47-W50 HydrophobicContact CG-CG 4.33Å; P47-W50 WeakPolarHBondContact O-CA 3.39Å; P47-W50 WeakPolarHBondContact O-CB 3.35Å; P47-W50 PolarHBondContact O-N 2.99Å; R48-W50 PolarHBondContact O-N 3.4Å; W50-R52 PolarHBondContact O-N 2.86Å
51K63Low55.5Low55 Ų5578.6 Ų78.624%0.23941%0.41CS..  trans-6775.9169-70.5-171.2167.7-154.40110D17 D20 Y24 I46 P47 R48D17-K51 WeakPolarHBondContact OD2-CE 3.29Å; D17-K51 IonicContact OD2-NZ 3.13Å; D17-K51 PolarHBondContact OD2-NZ 2.94Å; D20-K51 IonicContact OD2-NZ 3.91Å; D20-K51 PolarHBondContact OD2-NZ 2.9Å; Y24-K51 HydrophobicContact CD1-CB 3.91Å; Y24-K51 HydrophobicContact CD1-CG 4.22Å; Y24-K51 HydrophobicContact CD2-CG 4.39Å; Y24-K51 HydrophobicContact CE1-CB 3.49Å; Y24-K51 VanDerWaalsContact CE1-CB 3.49Å; Y24-K51 HydrophobicContact CE1-CD 4.32Å; Y24-K51 HydrophobicContact CE1-CG 3.91Å; Y24-K51 HydrophobicContact CE2-CD 4.05Å; Y24-K51 HydrophobicContact CE2-CG 4.06Å; Y24-K51 HydrophobicContact CG-CG 4.45Å; I46-K51 HydrophobicContact CB-CG 4.31Å; I46-K51 HydrophobicContact CG2-CG 4.05Å; P47-K51 PolarHBondContact O-N 2.97Å; R48-K51 WeakPolarHBondContact O-CB 3.24Å; R48-K51 PolarHBondContact O-N 3.35Å
52R59.7Low54.9Low179 Ų17984 Ų8468%0.67543%0.426SS*.  trans-97.9120168.3-167.4-179.3-69.1-169-2.1107.6Y26 W50 S54Y26-R52 HydrophobicContact CE2-CB 4.39Å; W50-R52 PolarHBondContact O-N 2.86Å; R52-S54 PolarHBondContact O-N 3.27Å
53D55.8Low54.2Low105 Ų10590 Ų9056%0.56146%0.462SS*.BIsolated β-bridgetrans-48.7115.3169.7-76.5-19.7000107.8
54S50.1Low53.5Low8 Ų887.9 Ų87.96%0.05645%0.445CS..  trans-110.1103.5-178.7163.30000109.3K25 R52 T56 C57 M59K25-S54 VanDerWaalsContact CB-CB 3.43Å; K25-S54 WeakPolarHBondContact CB-OG 3.21Å; R52-S54 PolarHBondContact O-N 3.27Å; S54-T56 PolarHBondContact O-N 2.61Å; S54-T56 VanDerWaalsContact O-N 3.1Å; S54-T56 PolarHBondContact OG-N 2.76Å; S54-T56 VanDerWaalsContact OG-N 3.07Å; S54-T56 PolarHBondContact OG-OG1 2.03Å; S54-C57 PolarHBondContact O-N 3.22Å; S54-C57 PolarHBondContact OG-N 3.27Å; S54-M59 WeakPolarHBondContact O-CE 3.32Å
55L49.9Very low52.9Low124 Ų12488.3 Ų88.365%0.64944%0.442SS*.THydrogen-bonded Turntrans-47.7-32.2160.9-77.6136.7000111.6C57 M59 T61L55-C57 PolarHBondContact O-N 2.76Å; L55-M59 WeakPolarHBondContact O-CB 3.46Å; L55-T61 VanDerWaalsContact C-OG1 3.31Å; L55-T61 HydrophobicContact CB-CG2 4.08Å; L55-T61 HydrophobicContact CD2-CG2 4Å; L55-T61 VanDerWaalsContact O-CB 3.31Å; L55-T61 WeakPolarHBondContact O-CB 3.18Å; L55-T61 WeakPolarHBondContact O-CG2 3.21Å; L55-T61 PolarHBondContact O-OG1 2.87Å
56T50.9Low52.1Low81 Ų8196.9 Ų96.950%0.49746%0.462SS..THydrogen-bonded Turntrans-79.9-2.6-172.950.30000117K25 S54 C58K25-T56 WeakPolarHBondContact CD-OG1 3.01Å; K25-T56 WeakPolarHBondContact CE-OG1 3.45Å; K25-T56 PolarHBondContact NZ-OG1 3.47Å; S54-T56 PolarHBondContact O-N 2.61Å; S54-T56 VanDerWaalsContact O-N 3.1Å; S54-T56 PolarHBondContact OG-N 2.76Å; S54-T56 VanDerWaalsContact OG-N 3.07Å; S54-T56 PolarHBondContact OG-OG1 2.03Å; T56-C58 PolarHBondContact O-N 3.2Å
57C51Low51.8Low4 Ų4103.1 Ų103.13%0.02750%0.496CS..THydrogen-bonded Turntrans-99.882.5-175.3-98.70000112.5C14 K25 S54 L55 M59C14-C57 WeakPolarHBondContact CA-SG 3.06Å; C14-C57 HydrophobicContact CB-CB 3.72Å; C14-C57 WeakPolarHBondContact CB-SG 2.99Å; C14-C57 WeakPolarHBondContact SG-CA 3.42Å; C14-C57 WeakPolarHBondContact SG-CB 3.2Å; C14-C57 CovalentContact SG-SG 2.04Å; C14-C57 PolarHBondContact SG-SG 3.5Å; K25-C57 WeakPolarHBondContact CA-SG 3.28Å; S54-C57 PolarHBondContact O-N 3.22Å; S54-C57 PolarHBondContact OG-N 3.27Å; L55-C57 PolarHBondContact O-N 2.76Å; C57-M59 PolarHBondContact O-N 3.2Å
58C51.4Low51.6Low53 Ų53102.8 Ų102.836%0.35849%0.492SS..THydrogen-bonded Turntrans22.640.9-170.4-142.70000115.2T56 A60 C70T56-C58 PolarHBondContact O-N 3.2Å; C58-A60 PolarHBondContact O-N 3.03Å; C58-C70 PolarHBondContact O-SG 3.25Å
59M44.4Very low51.5Low80 Ų8094.3 Ų94.339%0.39447%0.467SS..SBend-71.7101.4123.9-40.9-178.9-176.10099.9S54 L55 C57 T61S54-M59 WeakPolarHBondContact O-CE 3.32Å; L55-M59 WeakPolarHBondContact O-CB 3.46Å; C57-M59 PolarHBondContact O-N 3.2Å; M59-T61 HydrophobicContact CB-CG2 3.89Å; M59-T61 WeakPolarHBondContact O-CB 3.38Å; M59-T61 WeakPolarHBondContact O-CG2 3.47Å; M59-T61 PolarHBondContact O-N 3.1Å; M59-T61 PolarHBondContact O-OG1 2.81Å
60A37.6Very low51.3Low37 Ų3788.6 Ų88.631%0.30645%0.445SS..SBendtrans-2.971.2141.700000117.3C58 L64C58-A60 PolarHBondContact O-N 3.03Å; A60-L64 HydrophobicContact CB-CB 4.44Å; A60-L64 HydrophobicContact CB-CD1 3.03Å; A60-L64 HydrophobicContact CB-CD2 3.88Å; A60-L64 HydrophobicContact CB-CG 3.21Å
61T39.5Very low51.9Low65 Ų6588.1 Ų88.140%0.39945%0.448SS..  trans-134.71-174.756.40000113.8L55 M59L55-T61 VanDerWaalsContact C-OG1 3.31Å; L55-T61 HydrophobicContact CB-CG2 4.08Å; L55-T61 HydrophobicContact CD2-CG2 4Å; L55-T61 VanDerWaalsContact O-CB 3.31Å; L55-T61 WeakPolarHBondContact O-CB 3.18Å; L55-T61 WeakPolarHBondContact O-CG2 3.21Å; L55-T61 PolarHBondContact O-OG1 2.87Å; M59-T61 HydrophobicContact CB-CG2 3.89Å; M59-T61 WeakPolarHBondContact O-CB 3.38Å; M59-T61 WeakPolarHBondContact O-CG2 3.47Å; M59-T61 PolarHBondContact O-N 3.1Å; M59-T61 PolarHBondContact O-OG1 2.81Å
62K41.3Very low52.9Low199 Ų19985.6 Ų85.687%0.86544%0.438SS*.SBend-79.8118.9125.9-100.6-176.5176.5177.30104.5L64K62-L64 PolarHBondContact O-N 2.04Å
63V41Very low54.1Low129 Ų12978.5 Ų78.578%0.78241%0.412SS*.  trans-27.6105.5174.41790000107.4K65V63-K65 VanDerWaalsContact C-N 3.3Å; V63-K65 PolarHBondContact O-N 2.81Å
64L45.6Very low55.5Low47 Ų4773.9 Ų73.925%0.24639%0.388CS..  trans-46.7114.2158.7-75164000102.2A60 K62 Y66 D68 F73A60-L64 HydrophobicContact CB-CB 4.44Å; A60-L64 HydrophobicContact CB-CD1 3.03Å; A60-L64 HydrophobicContact CB-CD2 3.88Å; A60-L64 HydrophobicContact CB-CG 3.21Å; K62-L64 PolarHBondContact O-N 2.04Å; L64-Y66 PolarHBondContact O-N 3.33Å; L64-Y66 VanDerWaalsContact O-N 3.09Å; L64-D68 HydrophobicContact CB-CB 3.86Å; L64-D68 WeakPolarHBondContact CD1-O 3.18Å; L64-D68 HydrophobicContact CD2-CB 3.39Å; L64-D68 HydrophobicContact CG-CB 4.12Å; L64-D68 WeakPolarHBondContact CG-O 3.21Å; L64-F73 HydrophobicContact CD2-CE2 3.71Å; L64-F73 HydrophobicContact CD2-CZ 4.28Å
65K44.7Very low56.9Low153 Ų15375.7 Ų75.767%0.66540%0.401SS*.  trans-50.3131.9173.6-78-174.6175.9-177.10104.5V63 N67 D68V63-K65 VanDerWaalsContact C-N 3.3Å; V63-K65 PolarHBondContact O-N 2.81Å; K65-N67 PolarHBondContact O-N 2.79Å; K65-D68 PolarHBondContact O-N 3Å
66Y40.2Very low57.9Low222 Ų22274.4 Ų74.487%0.87140%0.395SS*.THydrogen-bonded Turntrans-32.7109.5-177.3-165.8-92.9000109.7L64L64-Y66 PolarHBondContact O-N 3.33Å; L64-Y66 VanDerWaalsContact O-N 3.09Å
67N54.4Low59.1Low142 Ų14272.1 Ų72.176%0.75938%0.38SS*.THydrogen-bonded Turntrans101.7-5.6-171.7-80.3-3.1000122.3K65K65-N67 PolarHBondContact O-N 2.79Å
68D59.6Low60.3Low30 Ų3078.1 Ų78.116%0.1642%0.417CS..  trans-77.5144.5174.2-61.9-26.1000110.9L64 K65 K83L64-D68 HydrophobicContact CB-CB 3.86Å; L64-D68 WeakPolarHBondContact CD1-O 3.18Å; L64-D68 HydrophobicContact CD2-CB 3.39Å; L64-D68 HydrophobicContact CG-CB 4.12Å; L64-D68 WeakPolarHBondContact CG-O 3.21Å; K65-D68 PolarHBondContact O-N 3Å; D68-K83 WeakPolarHBondContact OD1-CE 3.43Å; D68-K83 IonicContact OD1-NZ 3.82Å; D68-K83 PolarHBondContact OD1-NZ 2.89Å; D68-K83 IonicContact OD2-NZ 2.81Å; D68-K83 PolarHBondContact OD2-NZ 3.34Å
69S66.6Low61.6Low46 Ų4677.1 Ų77.132%0.32241%0.408SS..  trans-109.6151.7171.1174.60000110.8T71 D72 F73S69-T71 PolarHBondContact O-N 2.77Å; S69-T71 PolarHBondContact OG-N 3.01Å; S69-T71 PolarHBondContact OG-OG1 2.99Å; S69-D72 PolarHBondContact N-OD2 2.66Å; S69-D72 VanDerWaalsContact O-CB 3.23Å; S69-D72 WeakPolarHBondContact O-CB 3.47Å; S69-D72 PolarHBondContact O-N 2.96Å; S69-F73 WeakPolarHBondContact O-CD2 3.08Å
70C65.5Low63.5Low39 Ų3973.6 Ų73.626%0.26439%0.391SS..G310 helixtrans-57.7-33.1172.1-176.90000111.9C58 D72 F73 H99C58-C70 PolarHBondContact O-SG 3.25Å; C70-D72 PolarHBondContact O-N 2.78Å; C70-F73 PolarHBondContact O-N 2.99Å; C70-H99 PolarHBondContact O-ND1 3.18Å; C70-H99 VanDerWaalsContact SG-CE1 3.59Å
71T78.3Confident66Low52 Ų5271.9 Ų71.932%0.31938%0.376SS..G310 helixtrans-72.3-3.6175.658.10000114S69 R94 G98 L100S69-T71 PolarHBondContact O-N 2.77Å; S69-T71 PolarHBondContact OG-N 3.01Å; S69-T71 PolarHBondContact OG-OG1 2.99Å; T71-R94 PolarHBondContact O-NH1 2.89Å; T71-G98 WeakPolarHBondContact CB-O 3.46Å; T71-L100 WeakPolarHBondContact O-CG 3.31Å; T71-L100 PolarHBondContact O-N 3.25Å; T71-L100 VanDerWaalsContact O-N 3.14Å
72D83.3Confident68.3Low3 Ų376.8 Ų76.82%0.01639%0.388CS..G310 helixtrans-85.6-10.3172.6-64.7-25.6000112.7S69 C70 N80 L81 R82S69-D72 PolarHBondContact N-OD2 2.66Å; S69-D72 VanDerWaalsContact O-CB 3.23Å; S69-D72 WeakPolarHBondContact O-CB 3.47Å; S69-D72 PolarHBondContact O-N 2.96Å; C70-D72 PolarHBondContact O-N 2.78Å; D72-N80 CarbonylContact O-C 3.6Å; D72-L81 PolarHBondContact O-N 3.43Å; D72-R82 HydrophobicContact CB-CB 3.74Å; D72-R82 PolarHBondContact O-N 3.49Å; D72-R82 VanDerWaalsContact OD1-CD 3.31Å; D72-R82 WeakPolarHBondContact OD1-CD 3.35Å; D72-R82 IonicContact OD1-NH1 2.96Å; D72-R82 PolarHBondContact OD1-NH1 2.05Å; D72-R82 VanDerWaalsContact OD2-CD 3.29Å; D72-R82 WeakPolarHBondContact OD2-CD 3.01Å; D72-R82 IonicContact OD2-NH1 2.66Å; D72-R82 PolarHBondContact OD2-NH1 3.39Å
73F83.9Confident70.6Confident30 Ų3073 Ų7313%0.13237%0.371CS..BIsolated β-bridgetrans-97.7152.7179.5-66.2-104.2000111.3L64 S69 C70 I79 N80 H99 L100L64-F73 HydrophobicContact CD2-CE2 3.71Å; L64-F73 HydrophobicContact CD2-CZ 4.28Å; S69-F73 WeakPolarHBondContact O-CD2 3.08Å; C70-F73 PolarHBondContact O-N 2.99Å; F73-I79 CarbonylContact C-O 3.59Å; F73-I79 WeakPolarHBondContact CA-O 3.39Å; F73-N80 HydrophobicContact CD1-CB 3.88Å; F73-N80 HydrophobicContact CE1-CB 3.61Å; F73-N80 HydrophobicContact CE2-CB 4.34Å; F73-N80 VanDerWaalsContact CE2-ND2 3.33Å; F73-N80 WeakPolarHBondContact CE2-ND2 3.3Å; F73-N80 HydrophobicContact CG-CB 4.37Å; F73-N80 HydrophobicContact CZ-CB 3.85Å; F73-N80 WeakPolarHBondContact CZ-ND2 3.4Å; F73-H99 WeakPolarHBondContact O-CB 3.41Å; F73-H99 PolarHBondContact O-ND1 3.32Å; F73-L100 PolarHBondContact O-N 2.74Å
74A85.6Confident72.9Confident7 Ų771.9 Ų71.96%0.05836%0.358CS..BIsolated β-bridgetrans-68.5140.3167.700000110.8N76 T77 I79 L81 L100 I111A74-N76 PolarHBondContact O-N 3.18Å; A74-T77 HydrophobicContact CB-CG2 4.06Å; A74-T77 WeakPolarHBondContact CB-OG1 3.34Å; A74-T77 PolarHBondContact O-N 2.89Å; A74-T77 PolarHBondContact O-OG1 2.89Å; A74-I79 PolarHBondContact N-O 3.05Å; A74-L81 HydrophobicContact CB-CD1 3.72Å; A74-L81 HydrophobicContact CB-CG 4.08Å; A74-L100 VanDerWaalsContact CA-O 3.27Å; A74-L100 WeakPolarHBondContact CA-O 3.39Å; A74-I111 HydrophobicContact CB-CG2 3.58Å
75S79.6Confident75.1Confident47 Ų4770.7 Ų70.733%0.32936%0.357SS..THydrogen-bonded Turntrans-53.8126.9-173.7-1740000112.1T77 D95S75-T77 VanDerWaalsContact C-N 3.28Å; S75-T77 WeakPolarHBondContact O-CG2 3.02Å; S75-T77 PolarHBondContact O-N 2.87Å; S75-D95 VanDerWaalsContact CB-OD2 3.25Å; S75-D95 WeakPolarHBondContact CB-OD2 2.99Å
76N71.8Confident77.6Confident97 Ų9764.7 Ų64.752%0.51933%0.334SS..THydrogen-bonded Turntrans57.732.6-177-160.421.7000114.8A74A74-N76 PolarHBondContact O-N 3.18Å
77T74.7Confident80.3Confident32 Ų3257.4 Ų57.420%0.19631%0.31CS..SBendtrans-132.5168.1176.879.90000111.9A74 S75 I79 I111A74-T77 HydrophobicContact CB-CG2 4.06Å; A74-T77 WeakPolarHBondContact CB-OG1 3.34Å; A74-T77 PolarHBondContact O-N 2.89Å; A74-T77 PolarHBondContact O-OG1 2.89Å; S75-T77 VanDerWaalsContact C-N 3.28Å; S75-T77 WeakPolarHBondContact O-CG2 3.02Å; S75-T77 PolarHBondContact O-N 2.87Å; T77-I79 VanDerWaalsContact C-N 3.35Å; T77-I79 PolarHBondContact OG1-N 2.82Å; T77-I79 VanDerWaalsContact OG1-N 3.12Å; T77-I111 HydrophobicContact CG2-CD1 3.79Å; T77-I111 HydrophobicContact CG2-CG2 4.49Å
78T76.6Confident82.1Confident131 Ų13153.9 Ų53.980%0.80429%0.291SS*.SBendtrans-94.510.6168.857.30000113N80T78-N80 PolarHBondContact O-N 2.8Å
79I80.2Confident83.8Confident31 Ų3159.2 Ų59.216%0.15932%0.319CS..  trans-87109-175.7-62.2171.7000108.5F73 A74 T77 L81 I111 Q112F73-I79 CarbonylContact C-O 3.59Å; F73-I79 WeakPolarHBondContact CA-O 3.39Å; A74-I79 PolarHBondContact N-O 3.05Å; T77-I79 VanDerWaalsContact C-N 3.35Å; T77-I79 PolarHBondContact OG1-N 2.82Å; T77-I79 VanDerWaalsContact OG1-N 3.12Å; I79-L81 HydrophobicContact CG2-CD2 3.75Å; I79-L81 HydrophobicContact CG2-CG 4.19Å; I79-L81 PolarHBondContact O-N 3.29Å; I79-I111 HydrophobicContact CD1-CB 4.09Å; I79-I111 HydrophobicContact CD1-CD1 4.09Å; I79-I111 HydrophobicContact CD1-CG2 3.76Å; I79-Q112 HydrophobicContact CG2-CG 3.85Å
80N84.3Confident85.1Confident7 Ų757.8 Ų57.84%0.03731%0.311CS..BIsolated β-bridgetrans-81.693.6173.8-172.7-55.9000109.2D72 F73 T78 R82 K83 Q84D72-N80 CarbonylContact O-C 3.6Å; F73-N80 HydrophobicContact CD1-CB 3.88Å; F73-N80 HydrophobicContact CE1-CB 3.61Å; F73-N80 HydrophobicContact CE2-CB 4.34Å; F73-N80 VanDerWaalsContact CE2-ND2 3.33Å; F73-N80 WeakPolarHBondContact CE2-ND2 3.3Å; F73-N80 HydrophobicContact CG-CB 4.37Å; F73-N80 HydrophobicContact CZ-CB 3.85Å; F73-N80 WeakPolarHBondContact CZ-ND2 3.4Å; T78-N80 PolarHBondContact O-N 2.8Å; N80-R82 PolarHBondContact O-N 3.44Å; N80-R82 WeakPolarHBondContact OD1-CB 3.33Å; N80-R82 PolarHBondContact OD1-N 3.32Å; N80-K83 HydrophobicContact CB-CB 4.39Å; N80-K83 PolarHBondContact O-N 2.75Å; N80-K83 VanDerWaalsContact O-N 3.15Å; N80-K83 PolarHBondContact OD1-N 3.29Å; N80-Q84 WeakPolarHBondContact O-CB 3.25Å; N80-Q84 WeakPolarHBondContact O-CG 3.42Å; N80-Q84 PolarHBondContact O-N 2.9Å
81L89.5Confident86.5Confident1 Ų160 Ų601%0.00532%0.324CS..Hα-helixtrans-67.4-22.2-178.1-71.7-179.5000113D72 A74 I79 K83 G85 I92 L100 Q112D72-L81 PolarHBondContact O-N 3.43Å; A74-L81 HydrophobicContact CB-CD1 3.72Å; A74-L81 HydrophobicContact CB-CG 4.08Å; I79-L81 HydrophobicContact CG2-CD2 3.75Å; I79-L81 HydrophobicContact CG2-CG 4.19Å; I79-L81 PolarHBondContact O-N 3.29Å; L81-K83 VanDerWaalsContact C-N 3.28Å; L81-K83 PolarHBondContact O-N 3.15Å; L81-G85 WeakPolarHBondContact CD2-O 2.98Å; L81-G85 VanDerWaalsContact O-CA 3.24Å; L81-G85 WeakPolarHBondContact O-CA 3.46Å; L81-G85 PolarHBondContact O-N 2.03Å; L81-I92 HydrophobicContact CB-CD1 3.91Å; L81-L100 HydrophobicContact CB-CB 3.8Å; L81-L100 HydrophobicContact CB-CD1 3.99Å; L81-L100 HydrophobicContact CD1-CB 3.88Å; L81-L100 WeakPolarHBondContact CD1-O 3.28Å; L81-L100 HydrophobicContact CG-CB 4.43Å; L81-Q112 HydrophobicContact CD2-CG 3.77Å
82R88.2Confident87.3Confident167 Ų16761.3 Ų61.363%0.6333%0.328SS*.Hα-helixtrans-65.6-34.4173-177.3173.9-178.3161.5-0.1112.1D72 N80 L100D72-R82 HydrophobicContact CB-CB 3.74Å; D72-R82 PolarHBondContact O-N 3.49Å; D72-R82 VanDerWaalsContact OD1-CD 3.31Å; D72-R82 WeakPolarHBondContact OD1-CD 3.35Å; D72-R82 IonicContact OD1-NH1 2.96Å; D72-R82 PolarHBondContact OD1-NH1 2.05Å; D72-R82 VanDerWaalsContact OD2-CD 3.29Å; D72-R82 WeakPolarHBondContact OD2-CD 3.01Å; D72-R82 IonicContact OD2-NH1 2.66Å; D72-R82 PolarHBondContact OD2-NH1 3.39Å; N80-R82 PolarHBondContact O-N 3.44Å; N80-R82 WeakPolarHBondContact OD1-CB 3.33Å; N80-R82 PolarHBondContact OD1-N 3.32Å; R82-L100 HydrophobicContact CB-CD1 3.86Å
83K87.9Confident87.8Confident119 Ų11962.7 Ų62.752%0.51734%0.34SS..Hα-helixtrans-89.9-44.4178.7-73.8179.6173.4168.20112.9D68 N80 L81D68-K83 WeakPolarHBondContact OD1-CE 3.43Å; D68-K83 IonicContact OD1-NZ 3.82Å; D68-K83 PolarHBondContact OD1-NZ 2.89Å; D68-K83 IonicContact OD2-NZ 2.81Å; D68-K83 PolarHBondContact OD2-NZ 3.34Å; N80-K83 HydrophobicContact CB-CB 4.39Å; N80-K83 PolarHBondContact O-N 2.75Å; N80-K83 VanDerWaalsContact O-N 3.15Å; N80-K83 PolarHBondContact OD1-N 3.29Å; L81-K83 VanDerWaalsContact C-N 3.28Å; L81-K83 PolarHBondContact O-N 3.15Å
84Q90.1Very high88.1Confident107 Ų10767.4 Ų67.450%0.536%0.357SS..Hα-helixtrans-88.3-25.8-172.3-60.1-179.525.100112.5N80 Q112N80-Q84 WeakPolarHBondContact O-CB 3.25Å; N80-Q84 WeakPolarHBondContact O-CG 3.42Å; N80-Q84 PolarHBondContact O-N 2.9Å; Q84-Q112 VanDerWaalsContact CB-NE2 3.35Å
85G92.9Very high88.1Confident22 Ų2268.7 Ų68.723%0.22736%0.363CS..  trans68.8-168.2-177.200000113.7L81 Q112L81-G85 WeakPolarHBondContact CD2-O 2.98Å; L81-G85 VanDerWaalsContact O-CA 3.24Å; L81-G85 WeakPolarHBondContact O-CA 3.46Å; L81-G85 PolarHBondContact O-N 2.03Å; G85-Q112 PolarHBondContact O-NE2 3.33Å; G85-Q112 VanDerWaalsContact O-NE2 3.13Å
86C96.3Very high88.3Confident27 Ų2771.7 Ų71.718%0.18238%0.384CS..  trans-109.4143.7173.7-52.40000109.4G90 I92 C102C86-G90 WeakPolarHBondContact CB-O 3.4Å; C86-I92 WeakPolarHBondContact SG-CD1 3.23Å; C86-C102 VanDerWaalsContact CA-SG 3.51Å; C86-C102 HydrophobicContact CB-CB 3.82Å; C86-C102 WeakPolarHBondContact CB-SG 3.2Å; C86-C102 WeakPolarHBondContact SG-CA 3.46Å; C86-C102 WeakPolarHBondContact SG-CB 3.3Å; C86-C102 CovalentContact SG-SG 2.02Å; C86-C102 PolarHBondContact SG-SG 3.03Å
87N96.1Very high88.6Confident69 Ų6975.4 Ų75.437%0.36939%0.392SS..SBendtrans-82.7171.8174.1-61.6-35.4000111N89 G90 Q112 E114N87-N89 VanDerWaalsContact C-N 3.27Å; N87-N89 PolarHBondContact O-N 3.46Å; N87-N89 VanDerWaalsContact O-N 3.08Å; N87-G90 PolarHBondContact O-N 2.04Å; N87-Q112 WeakPolarHBondContact CB-O 3.26Å; N87-Q112 PolarHBondContact N-O 3.03Å; N87-E114 WeakPolarHBondContact ND2-CB 3.25Å
88N94Very high88.7Confident68 Ų6874.9 Ų74.936%0.36439%0.393SS..THydrogen-bonded Turntrans51.839166.4-62.8-42.2000115.4G90 P105 Y108 C113N88-G90 PolarHBondContact O-N 2.87Å; N88-P105 WeakPolarHBondContact O-CG 3.19Å; N88-Y108 HydrophobicContact CB-CD1 3.64Å; N88-Y108 HydrophobicContact CB-CD2 3.59Å; N88-Y108 HydrophobicContact CB-CE1 3.66Å; N88-Y108 HydrophobicContact CB-CE2 3.62Å; N88-Y108 HydrophobicContact CB-CG 3.59Å; N88-Y108 WeakPolarHBondContact ND2-CD1 3.25Å; N88-Y108 VanDerWaalsContact ND2-CE1 3.3Å; N88-Y108 WeakPolarHBondContact ND2-CE1 3.29Å; N88-C113 PolarHBondContact ND2-O 3.15Å
89N93.5Very high88.9Confident142 Ų14269.7 Ų69.776%0.75936%0.36SS*.THydrogen-bonded Turntrans63.321.9-178.3-150.454.2000114.2N87N87-N89 VanDerWaalsContact C-N 3.27Å; N87-N89 PolarHBondContact O-N 3.46Å; N87-N89 VanDerWaalsContact O-N 3.08Å
90G94.3Very high89.3Confident15 Ų1568.8 Ų68.816%0.15536%0.355CS..  trans-62.5146.1167.700000111.5C86 N87 N88 V103C86-G90 WeakPolarHBondContact CB-O 3.4Å; N87-G90 PolarHBondContact O-N 2.04Å; N88-G90 PolarHBondContact O-N 2.87Å; G90-V103 WeakPolarHBondContact CA-O 3.49Å
91T95.6Very high89.7Confident85 Ų8573 Ų7352%0.52137%0.373SS..EExtended strand (participates in β ladder)trans-108.1146.2179.8570000111.1C102 V103T91-C102 CarbonylContact O-C 3.53Å; T91-C102 WeakPolarHBondContact O-CA 3.47Å; T91-V103 PolarHBondContact N-O 3.12Å; T91-V103 PolarHBondContact O-N 3.11Å
92I94.7Very high90Very high81 Ų8173.9 Ų73.942%0.41538%0.379SS..EExtended strand (participates in β ladder)trans-80126.9177.9-65.9-76.3000109.4L81 C86 L100L81-I92 HydrophobicContact CB-CD1 3.91Å; C86-I92 WeakPolarHBondContact SG-CD1 3.23Å; I92-L100 HydrophobicContact CG2-CD1 4.11Å; I92-L100 HydrophobicContact CG2-CD2 3.65Å; I92-L100 HydrophobicContact CG2-CG 4.29Å
93A95.1Very high90.4Very high32 Ų3269.2 Ų69.226%0.26437%0.369SS..EExtended strand (participates in β ladder)trans-128.8-177.1169.800000110.4L100 K101 V103A93-L100 CarbonylContact O-C 3.56Å; A93-L100 WeakPolarHBondContact O-CA 3.21Å; A93-K101 HydrophobicContact CB-CG 4.12Å; A93-K101 PolarHBondContact N-O 2.94Å; A93-K101 PolarHBondContact O-N 3.17Å; A93-V103 HydrophobicContact CB-CG2 3.56Å
94R89.8Confident90.6Very high129 Ų12965.3 Ų65.349%0.48736%0.356SS..EExtended strand (participates in β ladder)trans-113.4146.8168.9-68.9-175.3-174.7-73.8-4.5111T71 G98 H99 L100 K101T71-R94 PolarHBondContact O-NH1 2.89Å; R94-G98 PolarHBondContact NH1-O 2.87Å; R94-H99 CarbonylContact C-O 3.56Å; R94-H99 WeakPolarHBondContact CA-O 3.24Å; R94-L100 HydrophobicContact CG-CD2 3.99Å; R94-K101 WeakPolarHBondContact O-CE 3.44Å
95D85.6Confident90.6Very high34 Ų3462.5 Ų62.518%0.18235%0.347CS..  trans-81.2-176.7168.2744.3000111.7S75 Y97 G98 H99 K101S75-D95 VanDerWaalsContact CB-OD2 3.25Å; S75-D95 WeakPolarHBondContact CB-OD2 2.99Å; D95-Y97 PolarHBondContact O-N 3.48Å; D95-Y97 WeakPolarHBondContact OD1-CA 3.4Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.18Å; D95-Y97 PolarHBondContact OD1-N 3.42Å; D95-G98 PolarHBondContact O-N 3.17Å; D95-G98 PolarHBondContact OD1-N 3.07Å; D95-H99 PolarHBondContact N-O 2.8Å; D95-H99 PolarHBondContact OD1-N 2.79Å; D95-K101 HydrophobicContact CB-CD 4.09Å
96S84.2Confident90.3Very high109 Ų10966.6 Ų66.676%0.76236%0.364SS*.THydrogen-bonded Turntrans-66.5-17.1178.6500000114
97Y76.4Confident90Very high175 Ų17570.8 Ų70.869%0.68638%0.376SS*.THydrogen-bonded Turntrans-98-1.8179.6-55.1-74.9000112.1D95D95-Y97 PolarHBondContact O-N 3.48Å; D95-Y97 WeakPolarHBondContact OD1-CA 3.4Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.18Å; D95-Y97 PolarHBondContact OD1-N 3.42Å
98G78.4Confident89.9Confident22 Ų2270 Ų7023%0.22737%0.368CS..SBendtrans87-0.6179.300000114.7T71 R94 D95T71-G98 WeakPolarHBondContact CB-O 3.46Å; R94-G98 PolarHBondContact NH1-O 2.87Å; D95-G98 PolarHBondContact O-N 3.17Å; D95-G98 PolarHBondContact OD1-N 3.07Å
99H80Confident89.8Confident22 Ų2269.7 Ų69.710%0.10237%0.366CS..  trans-68148173.5-72.9-77.2000110.6C70 F73 R94 D95C70-H99 PolarHBondContact O-ND1 3.18Å; C70-H99 VanDerWaalsContact SG-CE1 3.59Å; F73-H99 WeakPolarHBondContact O-CB 3.41Å; F73-H99 PolarHBondContact O-ND1 3.32Å; R94-H99 CarbonylContact C-O 3.56Å; R94-H99 WeakPolarHBondContact CA-O 3.24Å; D95-H99 PolarHBondContact N-O 2.8Å; D95-H99 PolarHBondContact OD1-N 2.79Å
100L88.2Confident89.7Confident12 Ų1264.6 Ų64.66%0.06335%0.347CS..EExtended strand (participates in β ladder)trans-63.9145170.2-69.1-171.9000109.4T71 F73 A74 L81 R82 I92 A93 R94T71-L100 WeakPolarHBondContact O-CG 3.31Å; T71-L100 PolarHBondContact O-N 3.25Å; T71-L100 VanDerWaalsContact O-N 3.14Å; F73-L100 PolarHBondContact O-N 2.74Å; A74-L100 VanDerWaalsContact CA-O 3.27Å; A74-L100 WeakPolarHBondContact CA-O 3.39Å; L81-L100 HydrophobicContact CB-CB 3.8Å; L81-L100 HydrophobicContact CB-CD1 3.99Å; L81-L100 HydrophobicContact CD1-CB 3.88Å; L81-L100 WeakPolarHBondContact CD1-O 3.28Å; L81-L100 HydrophobicContact CG-CB 4.43Å; R82-L100 HydrophobicContact CB-CD1 3.86Å; I92-L100 HydrophobicContact CG2-CD1 4.11Å; I92-L100 HydrophobicContact CG2-CD2 3.65Å; I92-L100 HydrophobicContact CG2-CG 4.29Å; A93-L100 CarbonylContact O-C 3.56Å; A93-L100 WeakPolarHBondContact O-CA 3.21Å; R94-L100 HydrophobicContact CG-CD2 3.99Å
101K93.5Very high89.6Confident96 Ų9667.5 Ų67.542%0.41736%0.358SS..EExtended strand (participates in β ladder)trans-140.1150.8168.867.9174.1-176.7179.60109.3A93 R94 D95A93-K101 HydrophobicContact CB-CG 4.12Å; A93-K101 PolarHBondContact N-O 2.94Å; A93-K101 PolarHBondContact O-N 3.17Å; R94-K101 WeakPolarHBondContact O-CE 3.44Å; D95-K101 HydrophobicContact CB-CD 4.09Å
102C95.9Very high89.5Confident19 Ų1964.8 Ų64.813%0.12834%0.339CS..EExtended strand (participates in β ladder)trans-83.4136.1167.9-67.20000110.5C86 T91 I111 C113C86-C102 VanDerWaalsContact CA-SG 3.51Å; C86-C102 HydrophobicContact CB-CB 3.82Å; C86-C102 WeakPolarHBondContact CB-SG 3.2Å; C86-C102 WeakPolarHBondContact SG-CA 3.46Å; C86-C102 WeakPolarHBondContact SG-CB 3.3Å; C86-C102 CovalentContact SG-SG 2.02Å; C86-C102 PolarHBondContact SG-SG 3.03Å; T91-C102 CarbonylContact O-C 3.53Å; T91-C102 WeakPolarHBondContact O-CA 3.47Å; C102-I111 WeakPolarHBondContact CB-O 3.26Å; C102-I111 PolarHBondContact SG-O 3.4Å; C102-C113 VanDerWaalsContact CB-SG 3.51Å
103V95Very high89.5Confident69 Ų6961 Ų6142%0.41832%0.32SS..EExtended strand (participates in β ladder)trans-100.3105.8166.2-179.60000106.5G90 T91 A93G90-V103 WeakPolarHBondContact CA-O 3.49Å; T91-V103 PolarHBondContact N-O 3.12Å; T91-V103 PolarHBondContact O-N 3.11Å; A93-V103 HydrophobicContact CB-CG2 3.56Å
104C93.2Very high89.5Confident36 Ų3663.1 Ų63.124%0.24332%0.324CS..  trans-83.1143.8-174.4-53.70000111.6Y108 C113C104-Y108 WeakPolarHBondContact CB-O 3.09Å; C104-C113 WeakPolarHBondContact CA-SG 3.25Å; C104-C113 HydrophobicContact CB-CB 3.7Å; C104-C113 WeakPolarHBondContact CB-SG 3.04Å; C104-C113 WeakPolarHBondContact SG-CA 3.46Å; C104-C113 WeakPolarHBondContact SG-CB 3.03Å; C104-C113 CovalentContact SG-SG 2.03Å; C104-C113 PolarHBondContact SG-SG 3.32Å
105P90.5Very high89.6Confident48 Ų4862.2 Ų62.231%0.31233%0.326SS..  trans-60.5156.5164.1-1832.2000110.4N88 R107 Y108N88-P105 WeakPolarHBondContact O-CG 3.19Å; P105-R107 PolarHBondContact O-N 3.02Å; P105-Y108 HydrophobicContact CB-CD2 4.26Å; P105-Y108 HydrophobicContact CG-CD2 4.3Å; P105-Y108 PolarHBondContact O-N 3.45Å
106D87Confident89.9Confident108 Ų10862 Ų6258%0.57833%0.325SS*.THydrogen-bonded Turntrans-53.2-28.9-171.4-68.6-42.3000115.1P130D106-P130 WeakPolarHBondContact O-CB 3.19Å
107R89.5Confident90.3Very high116 Ų11657.4 Ų57.444%0.43829%0.292SS..THydrogen-bonded Turntrans-76.3-17.8-180-174.1169.3173.8-172.4-1.6114.3P105 D116 V117 P130P105-R107 PolarHBondContact O-N 3.02Å; R107-D116 WeakPolarHBondContact CG-OD1 2.97Å; R107-D116 IonicContact CZ-OD1 2.62Å; R107-D116 IonicContact CZ-OD2 2.65Å; R107-D116 VanDerWaalsContact NE-CG 3.33Å; R107-D116 IonicContact NE-OD1 3.33Å; R107-D116 PolarHBondContact NE-OD1 2.93Å; R107-D116 IonicContact NE-OD2 2.75Å; R107-D116 PolarHBondContact NE-OD2 2.75Å; R107-D116 IonicContact NH2-OD1 3.39Å; R107-D116 IonicContact NH2-OD2 3.88Å; R107-D116 PolarHBondContact NH2-OD2 2.9Å; R107-V117 VanDerWaalsContact O-CB 3.31Å; R107-V117 WeakPolarHBondContact O-CB 3.49Å; R107-V117 VanDerWaalsContact O-CG2 3.28Å; R107-V117 WeakPolarHBondContact O-CG2 3.46Å; R107-V117 PolarHBondContact O-N 2.87Å; R107-P130 HydrophobicContact CB-CB 4.23Å; R107-P130 HydrophobicContact CB-CG 3.86Å; R107-P130 HydrophobicContact CG-CG 4.24Å
108Y92.9Very high90.9Very high51 Ų5149.9 Ų49.920%0.227%0.265CS..EExtended strand (participates in β ladder)trans-120.1144.8-170.9-58.9-81.4000112.6N88 C104 P105 E115 D116N88-Y108 HydrophobicContact CB-CD1 3.64Å; N88-Y108 HydrophobicContact CB-CD2 3.59Å; N88-Y108 HydrophobicContact CB-CE1 3.66Å; N88-Y108 HydrophobicContact CB-CE2 3.62Å; N88-Y108 HydrophobicContact CB-CG 3.59Å; N88-Y108 WeakPolarHBondContact ND2-CD1 3.25Å; N88-Y108 VanDerWaalsContact ND2-CE1 3.3Å; N88-Y108 WeakPolarHBondContact ND2-CE1 3.29Å; C104-Y108 WeakPolarHBondContact CB-O 3.09Å; P105-Y108 HydrophobicContact CB-CD2 4.26Å; P105-Y108 HydrophobicContact CG-CD2 4.3Å; P105-Y108 PolarHBondContact O-N 3.45Å; Y108-E115 CarbonylContact C-O 3.27Å; Y108-E115 WeakPolarHBondContact CA-O 3.41Å; Y108-D116 HydrophobicContact CD1-CB 4.04Å; Y108-D116 HydrophobicContact CE1-CB 3.84Å
109I91.8Very high91.5Very high63 Ų6356 Ų5632%0.32329%0.287SS..EExtended strand (participates in β ladder)trans-132.2179.7175.264.1174.5000110.4C113 E114 E115 V117I109-C113 CarbonylContact O-C 3.49Å; I109-C113 VanDerWaalsContact O-C 3.28Å; I109-C113 VanDerWaalsContact O-CA 3.24Å; I109-C113 WeakPolarHBondContact O-CA 3.36Å; I109-E114 PolarHBondContact O-N 3.12Å; I109-E115 HydrophobicContact CG1-CB 3.77Å; I109-E115 PolarHBondContact N-O 2.02Å; I109-E115 PolarHBondContact O-N 2.8Å; I109-V117 HydrophobicContact CB-CG2 4.22Å; I109-V117 HydrophobicContact CD1-CG2 4.11Å; I109-V117 HydrophobicContact CG1-CG2 3.89Å; I109-V117 HydrophobicContact CG2-CG2 3.53Å
110G91.6Very high91.7Very high35 Ų3558.1 Ų58.136%0.36132%0.316SS..SBendtrans102.3172.5-174.500000112.8Q112G110-Q112 VanDerWaalsContact C-N 3.27Å; G110-Q112 PolarHBondContact O-N 3.46Å
111I91.7Very high91.8Very high76 Ų7659.6 Ų59.639%0.3933%0.325SS..SBendtrans-70.5-30.3-177.1-69.2156.6000110.8A74 T77 I79 C102 E114A74-I111 HydrophobicContact CB-CG2 3.58Å; T77-I111 HydrophobicContact CG2-CD1 3.79Å; T77-I111 HydrophobicContact CG2-CG2 4.49Å; I79-I111 HydrophobicContact CD1-CB 4.09Å; I79-I111 HydrophobicContact CD1-CD1 4.09Å; I79-I111 HydrophobicContact CD1-CG2 3.76Å; C102-I111 WeakPolarHBondContact CB-O 3.26Å; C102-I111 PolarHBondContact SG-O 3.4Å; I111-E114 PolarHBondContact N-OE1 3.21Å; I111-E114 PolarHBondContact N-OE2 3.13Å
112Q94.5Very high91.7Very high28 Ų2856.1 Ų56.113%0.13131%0.313CS..SBendtrans-113.212.5179.3-59.2-172.3-96.500112.4I79 L81 Q84 G85 N87 G110 E114I79-Q112 HydrophobicContact CG2-CG 3.85Å; L81-Q112 HydrophobicContact CD2-CG 3.77Å; Q84-Q112 VanDerWaalsContact CB-NE2 3.35Å; G85-Q112 PolarHBondContact O-NE2 3.33Å; G85-Q112 VanDerWaalsContact O-NE2 3.13Å; N87-Q112 WeakPolarHBondContact CB-O 3.26Å; N87-Q112 PolarHBondContact N-O 3.03Å; G110-Q112 VanDerWaalsContact C-N 3.27Å; G110-Q112 PolarHBondContact O-N 3.46Å; Q112-E114 VanDerWaalsContact C-N 3.26Å; Q112-E114 WeakPolarHBondContact CA-OE2 3.37Å; Q112-E114 WeakPolarHBondContact CB-OE2 3.03Å; Q112-E114 PolarHBondContact N-OE2 3.46Å; Q112-E114 PolarHBondContact O-N 2.89Å
113C95.2Very high91.5Very high0 Ų058.9 Ų58.90%033%0.325CS..SBendtrans60.733.6-174-43.80000113.5N88 C102 C104 I109N88-C113 PolarHBondContact ND2-O 3.15Å; C102-C113 VanDerWaalsContact CB-SG 3.51Å; C104-C113 WeakPolarHBondContact CA-SG 3.25Å; C104-C113 HydrophobicContact CB-CB 3.7Å; C104-C113 WeakPolarHBondContact CB-SG 3.04Å; C104-C113 WeakPolarHBondContact SG-CA 3.46Å; C104-C113 WeakPolarHBondContact SG-CB 3.03Å; C104-C113 CovalentContact SG-SG 2.03Å; C104-C113 PolarHBondContact SG-SG 3.32Å; I109-C113 CarbonylContact O-C 3.49Å; I109-C113 VanDerWaalsContact O-C 3.28Å; I109-C113 VanDerWaalsContact O-CA 3.24Å; I109-C113 WeakPolarHBondContact O-CA 3.36Å
114E93.8Very high91.2Very high78 Ų7859.1 Ų59.136%0.36432%0.324SS..  trans-82.6-21.4-173.466.5-82-157.200114N87 I109 I111 Q112N87-E114 WeakPolarHBondContact ND2-CB 3.25Å; I109-E114 PolarHBondContact O-N 3.12Å; I111-E114 PolarHBondContact N-OE1 3.21Å; I111-E114 PolarHBondContact N-OE2 3.13Å; Q112-E114 VanDerWaalsContact C-N 3.26Å; Q112-E114 WeakPolarHBondContact CA-OE2 3.37Å; Q112-E114 WeakPolarHBondContact CB-OE2 3.03Å; Q112-E114 PolarHBondContact N-OE2 3.46Å; Q112-E114 PolarHBondContact O-N 2.89Å
115E93.4Very high90.9Very high110 Ų11059.5 Ų59.551%0.51433%0.334SS..EExtended strand (participates in β ladder)trans-99.2125.8-177-64.4177.7-162.600110.6Y108 I109Y108-E115 CarbonylContact C-O 3.27Å; Y108-E115 WeakPolarHBondContact CA-O 3.41Å; I109-E115 HydrophobicContact CG1-CB 3.77Å; I109-E115 PolarHBondContact N-O 2.02Å; I109-E115 PolarHBondContact O-N 2.8Å
116D91.8Very high90.8Very high30 Ų3057.9 Ų57.916%0.1633%0.326CS..EExtended strand (participates in β ladder)trans-85.4117.9170.5-178.1-6.8000109.9R107 Y108 C118 E119R107-D116 WeakPolarHBondContact CG-OD1 2.97Å; R107-D116 IonicContact CZ-OD1 2.62Å; R107-D116 IonicContact CZ-OD2 2.65Å; R107-D116 VanDerWaalsContact NE-CG 3.33Å; R107-D116 IonicContact NE-OD1 3.33Å; R107-D116 PolarHBondContact NE-OD1 2.93Å; R107-D116 IonicContact NE-OD2 2.75Å; R107-D116 PolarHBondContact NE-OD2 2.75Å; R107-D116 IonicContact NH2-OD1 3.39Å; R107-D116 IonicContact NH2-OD2 3.88Å; R107-D116 PolarHBondContact NH2-OD2 2.9Å; Y108-D116 HydrophobicContact CD1-CB 4.04Å; Y108-D116 HydrophobicContact CE1-CB 3.84Å; D116-C118 PolarHBondContact O-N 2.03Å; D116-C118 PolarHBondContact OD1-N 3.08Å; D116-E119 HydrophobicContact CB-CB 3.88Å; D116-E119 PolarHBondContact O-N 2.74Å
117V91.4Very high90.8Very high11 Ų1155.5 Ų55.57%0.06732%0.316CS..THydrogen-bonded Turntrans-62.7-26.3-178.3177.50000112.2R107 I109 T121 P135R107-V117 VanDerWaalsContact O-CB 3.31Å; R107-V117 WeakPolarHBondContact O-CB 3.49Å; R107-V117 VanDerWaalsContact O-CG2 3.28Å; R107-V117 WeakPolarHBondContact O-CG2 3.46Å; R107-V117 PolarHBondContact O-N 2.87Å; I109-V117 HydrophobicContact CB-CG2 4.22Å; I109-V117 HydrophobicContact CD1-CG2 4.11Å; I109-V117 HydrophobicContact CG1-CG2 3.89Å; I109-V117 HydrophobicContact CG2-CG2 3.53Å; V117-T121 PolarHBondContact O-OG1 3Å; V117-T121 VanDerWaalsContact O-OG1 3.1Å; V117-P135 HydrophobicContact CG1-CB 3.75Å; V117-P135 HydrophobicContact CG1-CG 3.81Å; V117-P135 WeakPolarHBondContact O-CB 3.4Å
118C90.3Very high90.9Very high18 Ų1851.4 Ų51.412%0.12231%0.305CS..THydrogen-bonded Turntrans-97-8.7-177.3-77.60000114.2D116 G120 T121 C128D116-C118 PolarHBondContact O-N 2.03Å; D116-C118 PolarHBondContact OD1-N 3.08Å; C118-G120 PolarHBondContact O-N 3.2Å; C118-T121 PolarHBondContact O-N 2.88Å; C118-C128 WeakPolarHBondContact CA-SG 3.01Å; C118-C128 HydrophobicContact CB-CB 3.5Å; C118-C128 VanDerWaalsContact CB-CB 3.5Å; C118-C128 WeakPolarHBondContact CB-SG 3.36Å; C118-C128 WeakPolarHBondContact SG-CB 3.45Å; C118-C128 CovalentContact SG-SG 2.04Å; C118-C128 PolarHBondContact SG-SG 2.8Å
119E89.8Confident90.6Very high149 Ų14950.6 Ų50.670%0.69631%0.305SS*.THydrogen-bonded Turntrans-66.3123.5179.9-173.5169.9-167.100110.3D116 T121D116-E119 HydrophobicContact CB-CB 3.88Å; D116-E119 PolarHBondContact O-N 2.74Å; E119-T121 PolarHBondContact O-N 3.23Å; E119-T121 PolarHBondContact O-OG1 3.21Å
120G85.1Confident90.3Very high68 Ų6849.3 Ų49.370%0.70130%0.301SS*.THydrogen-bonded Turntrans63.65.2177.700000116.3C118C118-G120 PolarHBondContact O-N 3.2Å
121T89.7Confident89.6Confident43 Ų4350.2 Ų50.226%0.26431%0.305SS..THydrogen-bonded Turntrans-82.4-49.6-171-63.10000112.9V117 C118 E119 P135 N147V117-T121 PolarHBondContact O-OG1 3Å; V117-T121 VanDerWaalsContact O-OG1 3.1Å; C118-T121 PolarHBondContact O-N 2.88Å; E119-T121 PolarHBondContact O-N 3.23Å; E119-T121 PolarHBondContact O-OG1 3.21Å; T121-P135 HydrophobicContact CG2-CB 3.65Å; T121-P135 HydrophobicContact CG2-CG 3.61Å; T121-N147 WeakPolarHBondContact O-CB 2.98Å
122C92Very high89Confident23 Ų2357.9 Ų57.916%0.15533%0.329CS..SBendtrans-90.5114.5-178.8-51.80000110.3G126 C128 C137C122-G126 WeakPolarHBondContact CB-O 3.02Å; C122-C128 HydrophobicContact CB-CB 4.42Å; C122-C128 WeakPolarHBondContact SG-CA 3.27Å; C122-C128 WeakPolarHBondContact SG-CB 3.38Å; C122-C137 WeakPolarHBondContact CA-SG 3.46Å; C122-C137 HydrophobicContact CB-CB 3.81Å; C122-C137 WeakPolarHBondContact CB-SG 3.21Å; C122-C137 WeakPolarHBondContact SG-CA 3.1Å; C122-C137 WeakPolarHBondContact SG-CB 3.46Å; C122-C137 CovalentContact SG-SG 2.03Å; C122-C137 PolarHBondContact SG-SG 3.16Å
123L91.8Very high88.1Confident76 Ų7657.6 Ų57.640%0.39833%0.333SS..  trans-87.7173.2-179.1-58.1-175000111.5G125 G126 N147 C148L123-G125 PolarHBondContact O-N 3.17Å; L123-G126 PolarHBondContact O-N 3.28Å; L123-N147 WeakPolarHBondContact CB-O 3.38Å; L123-N147 PolarHBondContact N-O 3Å; L123-C148 WeakPolarHBondContact O-CB 3.24Å
124N88.8Confident87.6Confident74 Ų7465 Ų6540%0.39637%0.365SS..THydrogen-bonded Turntrans5333.6174.2-59.8-44.2000114.3G126 F143 C148N124-G126 VanDerWaalsContact C-N 3.32Å; N124-G126 PolarHBondContact O-N 3.26Å; N124-F143 HydrophobicContact CB-CB 4.4Å; N124-F143 HydrophobicContact CB-CD1 3.55Å; N124-F143 HydrophobicContact CB-CD2 3.76Å; N124-F143 HydrophobicContact CB-CE1 3.61Å; N124-F143 HydrophobicContact CB-CE2 3.82Å; N124-F143 HydrophobicContact CB-CG 3.62Å; N124-F143 HydrophobicContact CB-CZ 3.74Å; N124-F143 VanDerWaalsContact ND2-CD1 3.26Å; N124-F143 WeakPolarHBondContact ND2-CD1 3.41Å; N124-F143 WeakPolarHBondContact ND2-CE1 3.35Å; N124-C148 PolarHBondContact ND2-O 2.03Å
125G86.2Confident87.3Confident44 Ų4463.9 Ų63.945%0.45437%0.365SS..THydrogen-bonded Turntrans7417.7178.700000114.8L123 R140L123-G125 PolarHBondContact O-N 3.17Å; G125-R140 WeakPolarHBondContact O-CD 2.99Å; G125-R140 WeakPolarHBondContact O-CG 3.01Å; G125-R140 PolarHBondContact O-NE 2.81Å
126G88Confident87.1Confident14 Ų1463.1 Ų63.114%0.14436%0.361CS..PPolyproline II helixtrans-64.8148172.300000112.7C122 L123 N124 F138C122-G126 WeakPolarHBondContact CB-O 3.02Å; L123-G126 PolarHBondContact O-N 3.28Å; N124-G126 VanDerWaalsContact C-N 3.32Å; N124-G126 PolarHBondContact O-N 3.26Å; G126-F138 CarbonylContact C-O 3.33Å; G126-F138 WeakPolarHBondContact CA-O 3.39Å
127T88.4Confident87Confident58 Ų5862.3 Ų62.336%0.35636%0.358SS..EExtended strand (participates in β ladder)trans-89.3124.9179-57.90000109.9C137 F138T127-C137 WeakPolarHBondContact O-CA 3.37Å; T127-F138 PolarHBondContact N-O 3.26Å; T127-F138 PolarHBondContact O-N 3.26Å
128C90.2Very high86.8Confident31 Ų3163.4 Ų63.421%0.20936%0.362CS..EExtended strand (participates in β ladder)trans-89.4129.8174-173.40000111.5C118 C122C118-C128 WeakPolarHBondContact CA-SG 3.01Å; C118-C128 HydrophobicContact CB-CB 3.5Å; C118-C128 VanDerWaalsContact CB-CB 3.5Å; C118-C128 WeakPolarHBondContact CB-SG 3.36Å; C118-C128 WeakPolarHBondContact SG-CB 3.45Å; C118-C128 CovalentContact SG-SG 2.04Å; C118-C128 PolarHBondContact SG-SG 2.8Å; C122-C128 HydrophobicContact CB-CB 4.42Å; C122-C128 WeakPolarHBondContact SG-CA 3.27Å; C122-C128 WeakPolarHBondContact SG-CB 3.38Å
129V87.9Confident86.5Confident34 Ų3463.2 Ų63.221%0.20636%0.36CS..EExtended strand (participates in β ladder)trans-117.5117.3167.9176.40000108.9H136 F138V129-H136 PolarHBondContact N-O 3.1Å; V129-H136 WeakPolarHBondContact O-CB 3.25Å; V129-H136 PolarHBondContact O-N 3.01Å; V129-F138 HydrophobicContact CB-CD2 4.48Å; V129-F138 HydrophobicContact CB-CE2 3.94Å; V129-F138 HydrophobicContact CG2-CD2 3.83Å; V129-F138 HydrophobicContact CG2-CE2 3.51Å
130P85.3Confident86.2Confident36 Ų3661.8 Ų61.823%0.23435%0.348CS..EExtended strand (participates in β ladder)trans-75.3128.6177.329.8-31.3000110.2D106 R107D106-P130 WeakPolarHBondContact O-CB 3.19Å; R107-P130 HydrophobicContact CB-CB 4.23Å; R107-P130 HydrophobicContact CB-CG 3.86Å; R107-P130 HydrophobicContact CG-CG 4.24Å
131A77.5Confident85.8Confident53 Ų5362.1 Ų62.144%0.43833%0.329SS..EExtended strand (participates in β ladder)trans-129.7108.3178.200000109.8G133 K134A131-G133 VanDerWaalsContact C-N 3.31Å; A131-G133 PolarHBondContact O-N 2.8Å; A131-K134 PolarHBondContact N-O 3.14Å; A131-K134 PolarHBondContact O-N 2.84Å
132R77.8Confident85.2Confident238 Ų23860.1 Ų60.190%0.89832%0.317SS*.THydrogen-bonded Turntrans52.645.3179.1-57.4-178.9178.4172.60.4113.1K134R132-K134 VanDerWaalsContact C-N 3.27Å; R132-K134 PolarHBondContact O-N 3.01Å
133G76Confident84.8Confident21 Ų2160.8 Ų60.822%0.21632%0.317CS..THydrogen-bonded Turntrans73.613.3-179.100000114.8A131A131-G133 VanDerWaalsContact C-N 3.31Å; A131-G133 PolarHBondContact O-N 2.8Å
134K83.5Confident84.5Confident156 Ų15659.7 Ų59.768%0.67831%0.313SS*.EExtended strand (participates in β ladder)trans-119.2142.8172.9-64.4-173.5178.8-174.10110.7A131 R132A131-K134 PolarHBondContact N-O 3.14Å; A131-K134 PolarHBondContact O-N 2.84Å; R132-K134 VanDerWaalsContact C-N 3.27Å; R132-K134 PolarHBondContact O-N 3.01Å
135P88.4Confident84.3Confident55 Ų5557.3 Ų57.336%0.35731%0.306SS..EExtended strand (participates in β ladder)trans-79.6138.7176.525.2-19.7000109.7V117 T121V117-P135 HydrophobicContact CG1-CB 3.75Å; V117-P135 HydrophobicContact CG1-CG 3.81Å; V117-P135 WeakPolarHBondContact O-CB 3.4Å; T121-P135 HydrophobicContact CG2-CB 3.65Å; T121-P135 HydrophobicContact CG2-CG 3.61Å
136H89.1Confident84.4Confident94 Ų9460.5 Ų60.544%0.43532%0.322SS..EExtended strand (participates in β ladder)trans-120.8121.7166.2-17169.7000109.1V129 F138V129-H136 PolarHBondContact N-O 3.1Å; V129-H136 WeakPolarHBondContact O-CB 3.25Å; V129-H136 PolarHBondContact O-N 3.01Å; H136-F138 AromaticContact CD2-CE1 3.72Å; H136-F138 AromaticContact CD2-CZ 3.58Å; H136-F138 AromaticContact NE2-CE1 3.68Å; H136-F138 AromaticContact NE2-CZ 3.99Å
137C90.2Very high84.5Confident13 Ų1362.4 Ų62.49%0.08833%0.329CS..EExtended strand (participates in β ladder)trans-97.6129.3-178.1-63.20000111.9C122 T127 S146 C148C122-C137 WeakPolarHBondContact CA-SG 3.46Å; C122-C137 HydrophobicContact CB-CB 3.81Å; C122-C137 WeakPolarHBondContact CB-SG 3.21Å; C122-C137 WeakPolarHBondContact SG-CA 3.1Å; C122-C137 WeakPolarHBondContact SG-CB 3.46Å; C122-C137 CovalentContact SG-SG 2.03Å; C122-C137 PolarHBondContact SG-SG 3.16Å; T127-C137 WeakPolarHBondContact O-CA 3.37Å; C137-S146 WeakPolarHBondContact CB-O 3.14Å; C137-C148 VanDerWaalsContact CB-SG 3.59Å
138F86.6Confident84.6Confident34 Ų3459.6 Ų59.615%0.14931%0.312CS..EExtended strand (participates in β ladder)trans-96.8109.9164.4-63.1-67.4000109G126 T127 V129 H136 Y215G126-F138 CarbonylContact C-O 3.33Å; G126-F138 WeakPolarHBondContact CA-O 3.39Å; T127-F138 PolarHBondContact N-O 3.26Å; T127-F138 PolarHBondContact O-N 3.26Å; V129-F138 HydrophobicContact CB-CD2 4.48Å; V129-F138 HydrophobicContact CB-CE2 3.94Å; V129-F138 HydrophobicContact CG2-CD2 3.83Å; V129-F138 HydrophobicContact CG2-CE2 3.51Å; H136-F138 AromaticContact CD2-CE1 3.72Å; H136-F138 AromaticContact CD2-CZ 3.58Å; H136-F138 AromaticContact NE2-CE1 3.68Å; H136-F138 AromaticContact NE2-CZ 3.99Å; F138-Y215 HydrophobicContact CB-CD1 3.83Å; F138-Y215 HydrophobicContact CB-CE1 4.3Å; F138-Y215 HydrophobicContact CB-CG 4.49Å
139C84.9Confident84.7Confident14 Ų1460.7 Ų60.710%0.09532%0.319CS..PPolyproline II helixtrans-79.9141.9-174.9-53.10000111.7F143 C148 V189 Y215C139-F143 HydrophobicContact CB-CB 4.34Å; C139-F143 VanDerWaalsContact CB-O 3.24Å; C139-F143 WeakPolarHBondContact CB-O 3.02Å; C139-C148 WeakPolarHBondContact CA-SG 3.45Å; C139-C148 HydrophobicContact CB-CB 3.66Å; C139-C148 WeakPolarHBondContact CB-SG 3.47Å; C139-C148 WeakPolarHBondContact SG-CA 3.33Å; C139-C148 WeakPolarHBondContact SG-CB 3.44Å; C139-C148 CovalentContact SG-SG 2.04Å; C139-C148 PolarHBondContact SG-SG 3.46Å; C139-V189 HydrophobicContact CB-CG2 3.86Å; C139-V189 WeakPolarHBondContact O-CG2 3.09Å; C139-Y215 WeakPolarHBondContact O-CE1 3.49Å
140R82Confident84.6Confident118 Ų11864.4 Ų64.445%0.44534%0.335SS..PPolyproline II helixtrans-62.7158.4168.9-81.7-177.3-177.7-125.70.8110.6G125 G142 F143 Y215G125-R140 WeakPolarHBondContact O-CD 2.99Å; G125-R140 WeakPolarHBondContact O-CG 3.01Å; G125-R140 PolarHBondContact O-NE 2.81Å; R140-G142 PolarHBondContact O-N 3.06Å; R140-F143 HydrophobicContact CB-CD2 4.43Å; R140-F143 PolarHBondContact O-N 3.2Å; R140-Y215 HydrophobicContact CG-CE1 4.33Å; R140-Y215 WeakPolarHBondContact CG-OH 3.48Å
141R76.4Confident84.4Confident76 Ų7663.7 Ų63.729%0.28733%0.332SS..THydrogen-bonded Turntrans-51.4129.1173.9-78.8-173.7178.8109.40.8111V179 A213 E214R141-V179 HydrophobicContact CB-CG1 3.85Å; R141-V179 HydrophobicContact CG-CG1 4.31Å; R141-A213 PolarHBondContact NH2-O 3.32Å; R141-E214 HydrophobicContact CG-CG 4.23Å
142G77.9Confident84.3Confident1 Ų162.1 Ų62.11%0.0132%0.316CS..THydrogen-bonded Turntrans91.5-3.5-178.800000115.4R140 A151 L152 V177 K178R140-G142 PolarHBondContact O-N 3.06Å; G142-A151 CarbonylContact O-C 3.56Å; G142-A151 WeakPolarHBondContact O-CA 3.17Å; G142-L152 PolarHBondContact O-N 3.33Å; G142-V177 WeakPolarHBondContact O-CG1 2.99Å; G142-K178 WeakPolarHBondContact CA-O 3.23Å
143F84.7Confident83.9Confident36 Ų3659.1 Ų59.116%0.15831%0.309CS..EExtended strand (participates in β ladder)trans-121.1148.5175.6-62.4-80.9000112.2N124 C139 R140 C148 E150 A151 V189N124-F143 HydrophobicContact CB-CB 4.4Å; N124-F143 HydrophobicContact CB-CD1 3.55Å; N124-F143 HydrophobicContact CB-CD2 3.76Å; N124-F143 HydrophobicContact CB-CE1 3.61Å; N124-F143 HydrophobicContact CB-CE2 3.82Å; N124-F143 HydrophobicContact CB-CG 3.62Å; N124-F143 HydrophobicContact CB-CZ 3.74Å; N124-F143 VanDerWaalsContact ND2-CD1 3.26Å; N124-F143 WeakPolarHBondContact ND2-CD1 3.41Å; N124-F143 WeakPolarHBondContact ND2-CE1 3.35Å; C139-F143 HydrophobicContact CB-CB 4.34Å; C139-F143 VanDerWaalsContact CB-O 3.24Å; C139-F143 WeakPolarHBondContact CB-O 3.02Å; R140-F143 HydrophobicContact CB-CD2 4.43Å; R140-F143 PolarHBondContact O-N 3.2Å; F143-C148 HydrophobicContact CB-CB 4.42Å; F143-E150 CarbonylContact C-O 3.44Å; F143-E150 VanDerWaalsContact CA-O 3.23Å; F143-E150 WeakPolarHBondContact CA-O 3.49Å; F143-A151 HydrophobicContact CE1-CB 4.46Å; F143-V189 VanDerWaalsContact O-CG1 3.28Å; F143-V189 WeakPolarHBondContact O-CG1 3.34Å; F143-V189 WeakPolarHBondContact O-CG2 3.4Å
144T83.7Confident83.5Confident53 Ų5361.6 Ų61.633%0.32532%0.323SS..EExtended strand (participates in β ladder)trans-143.7-178.3-177.3-167.70000111.2C148 S149 E150T144-C148 CarbonylContact O-C 3.58Å; T144-C148 WeakPolarHBondContact O-CA 2.97Å; T144-S149 PolarHBondContact O-N 3.27Å; T144-E150 HydrophobicContact CG2-CB 3.69Å; T144-E150 PolarHBondContact N-O 3.37Å; T144-E150 WeakPolarHBondContact O-CB 3.36Å; T144-E150 PolarHBondContact O-N 3.46Å; T144-E150 VanDerWaalsContact O-N 3.11Å
145G85.5Confident82.6Confident24 Ų2455.7 Ų55.725%0.24730%0.301CS..SBendtrans90.5165.7-173.100000112.5N147 C148G145-N147 PolarHBondContact O-N 2.87Å; G145-N147 VanDerWaalsContact O-N 3.17Å; G145-C148 PolarHBondContact O-N 3.35Å
146S88.1Confident81Confident112 Ų11254.6 Ų54.678%0.78330%0.3SS*.THydrogen-bonded Turntrans-63.6-21.9-176.553.90000114.1C137C137-S146 WeakPolarHBondContact CB-O 3.14Å
147N91.4Very high79.2Confident53 Ų5360.2 Ų60.228%0.28333%0.326SS..THydrogen-bonded Turntrans-121.712.3179.969.9-12.5000113T121 L123 G145 S149T121-N147 WeakPolarHBondContact O-CB 2.98Å; L123-N147 WeakPolarHBondContact CB-O 3.38Å; L123-N147 PolarHBondContact N-O 3Å; G145-N147 PolarHBondContact O-N 2.87Å; G145-N147 VanDerWaalsContact O-N 3.17Å; N147-S149 PolarHBondContact O-N 3.39Å; N147-S149 WeakPolarHBondContact OD1-CB 3.18Å; N147-S149 PolarHBondContact OD1-N 3.29Å; N147-S149 VanDerWaalsContact OD1-N 3.15Å; N147-S149 PolarHBondContact OD1-OG 3.41Å
148C90.5Very high77.1Confident0 Ų065.7 Ų65.70%037%0.365CS..SBendtrans61.821.3-179.5-46.60000115.4L123 N124 C137 C139 F143 T144 G145L123-C148 WeakPolarHBondContact O-CB 3.24Å; N124-C148 PolarHBondContact ND2-O 2.03Å; C137-C148 VanDerWaalsContact CB-SG 3.59Å; C139-C148 WeakPolarHBondContact CA-SG 3.45Å; C139-C148 HydrophobicContact CB-CB 3.66Å; C139-C148 WeakPolarHBondContact CB-SG 3.47Å; C139-C148 WeakPolarHBondContact SG-CA 3.33Å; C139-C148 WeakPolarHBondContact SG-CB 3.44Å; C139-C148 CovalentContact SG-SG 2.04Å; C139-C148 PolarHBondContact SG-SG 3.46Å; F143-C148 HydrophobicContact CB-CB 4.42Å; T144-C148 CarbonylContact O-C 3.58Å; T144-C148 WeakPolarHBondContact O-CA 2.97Å; G145-C148 PolarHBondContact O-N 3.35Å
149S91.1Very high75.7Confident53 Ų5366.3 Ų66.337%0.37138%0.38SS..  trans-75.8-21.9-17960.50000114.1T144 N147T144-S149 PolarHBondContact O-N 3.27Å; N147-S149 PolarHBondContact O-N 3.39Å; N147-S149 WeakPolarHBondContact OD1-CB 3.18Å; N147-S149 PolarHBondContact OD1-N 3.29Å; N147-S149 VanDerWaalsContact OD1-N 3.15Å; N147-S149 PolarHBondContact OD1-OG 3.41Å
150E85.4Confident75.2Confident113 Ų11367.4 Ų67.453%0.52839%0.387SS..EExtended strand (participates in β ladder)trans-94.5124.5-171.1-61.6173.4-160.300110.4F143 T144F143-E150 CarbonylContact C-O 3.44Å; F143-E150 VanDerWaalsContact CA-O 3.23Å; F143-E150 WeakPolarHBondContact CA-O 3.49Å; T144-E150 HydrophobicContact CG2-CB 3.69Å; T144-E150 PolarHBondContact N-O 3.37Å; T144-E150 WeakPolarHBondContact O-CB 3.36Å; T144-E150 PolarHBondContact O-N 3.46Å; T144-E150 VanDerWaalsContact O-N 3.11Å
151A81.5Confident75.2Confident21 Ų2162.5 Ų62.517%0.17437%0.37CS..EExtended strand (participates in β ladder)trans-70.3140.9167.600000110.3G142 F143 K153 V177G142-A151 CarbonylContact O-C 3.56Å; G142-A151 WeakPolarHBondContact O-CA 3.17Å; F143-A151 HydrophobicContact CE1-CB 4.46Å; A151-K153 PolarHBondContact O-N 3.33Å; A151-K153 VanDerWaalsContact O-N 3.08Å; A151-V177 HydrophobicContact CB-CG1 4.47Å; A151-V177 HydrophobicContact CB-CG2 4.26Å
152L75.5Confident75.7Confident19 Ų1963.4 Ų63.410%0.09938%0.378CS..  trans-71.6104.4175.3-17169.7000109.1G142 T160 K178G142-L152 PolarHBondContact O-N 3.33Å; L152-T160 HydrophobicContact CD1-CG2 4.3Å; L152-T160 HydrophobicContact CD2-CG2 4.29Å; L152-K178 WeakPolarHBondContact CB-O 3.4Å; L152-K178 HydrophobicContact CD2-CB 4.11Å; L152-K178 WeakPolarHBondContact CD2-O 3.25Å; L152-K178 HydrophobicContact CG-CB 4.17Å; L152-K178 WeakPolarHBondContact O-CB 3.36Å; L152-K178 PolarHBondContact O-N 2.65Å
153K69.9Low76.2Confident176 Ų17666.7 Ų66.777%0.76540%0.395SS*.  trans-84.8-27.4-173-68-179.3-178.8178.20114.2A151A151-K153 PolarHBondContact O-N 3.33Å; A151-K153 VanDerWaalsContact O-N 3.08Å
154S67.2Low76.3Confident72 Ų7267.9 Ų67.950%0.50342%0.418SS..  trans-144.5145.117862.60000110.4
155C65.1Low76.4Confident33 Ų3366.1 Ų66.122%0.22341%0.41CS..  trans-85.8104.6151.8-63.10000104.4T160 C167C155-T160 VanDerWaalsContact CA-OG1 3.28Å; C155-T160 WeakPolarHBondContact CA-OG1 3.48Å; C155-C167 HydrophobicContact CB-CB 3.62Å; C155-C167 WeakPolarHBondContact CB-SG 3.42Å; C155-C167 WeakPolarHBondContact SG-CB 3.44Å; C155-C167 CovalentContact SG-SG 2.01Å; C155-C167 PolarHBondContact SG-SG 3.02Å
156G54.8Low76.5Confident32 Ų3269 Ų6933%0.3342%0.423SS..  trans-54.8165.1-174.200000112.5S158 G159 T160G156-S158 PolarHBondContact O-N 3.07Å; G156-G159 PolarHBondContact O-N 3.1Å; G156-T160 PolarHBondContact N-OG1 2.8Å
157E50.2Low76.4Confident212 Ų21266.2 Ų66.299%0.99140%0.403SS*.THydrogen-bonded Turntrans-56.6-8.8-176.5-70-179.4157.500114.7
158S47.7Very low76.1Confident128 Ų12867.5 Ų67.590%0.89541%0.407SS*.THydrogen-bonded Turntrans-110.411.3178.9-46.20000115G156G156-S158 PolarHBondContact O-N 3.07Å
159G57Low75.7Confident46 Ų4670.6 Ų70.647%0.47443%0.426SS..THydrogen-bonded Turntrans79.879.8177.100000112.6G156 C161G156-G159 PolarHBondContact O-N 3.1Å; G159-C161 PolarHBondContact O-N 2.95Å; G159-C161 VanDerWaalsContact O-N 3.11Å
160T73.9Confident75Confident38 Ų3871.8 Ų71.823%0.23343%0.428CS..SBendtrans-52.1-32.6172.7-64.40000112.3L152 C155 G156 Q162 T190L152-T160 HydrophobicContact CD1-CG2 4.3Å; L152-T160 HydrophobicContact CD2-CG2 4.29Å; C155-T160 VanDerWaalsContact CA-OG1 3.28Å; C155-T160 WeakPolarHBondContact CA-OG1 3.48Å; G156-T160 PolarHBondContact N-OG1 2.8Å; T160-Q162 PolarHBondContact O-N 2.04Å; T160-T190 HydrophobicContact CG2-CG2 3.52Å; T160-T190 VanDerWaalsContact O-CB 3.25Å; T160-T190 WeakPolarHBondContact O-CB 3.45Å
161C82.4Confident74.7Confident14 Ų1471.3 Ų71.310%0.09543%0.433CS..SBendtrans-79.9103.4175.8-46.90000110.1G159 G165 C180 T190G159-C161 PolarHBondContact O-N 2.95Å; G159-C161 VanDerWaalsContact O-N 3.11Å; C161-G165 VanDerWaalsContact CB-O 3.32Å; C161-G165 WeakPolarHBondContact CB-O 3.26Å; C161-C180 WeakPolarHBondContact CA-SG 3.37Å; C161-C180 HydrophobicContact CB-CB 3.7Å; C161-C180 WeakPolarHBondContact CB-SG 2.93Å; C161-C180 WeakPolarHBondContact SG-CA 3.5Å; C161-C180 WeakPolarHBondContact SG-CB 3Å; C161-C180 CovalentContact SG-SG 2.04Å; C161-C180 PolarHBondContact SG-SG 3.21Å; C161-T190 CarbonylContact C-O 3.58Å
162Q86.6Confident74.1Confident96 Ų9674.9 Ų74.945%0.44945%0.448SS..  trans-71.7171177.4-56.7-173.128.100111.2T160 G164 G165 T190 C191 E192T160-Q162 PolarHBondContact O-N 2.04Å; Q162-G164 PolarHBondContact O-N 2.63Å; Q162-G165 PolarHBondContact O-N 3.46Å; Q162-T190 WeakPolarHBondContact CB-O 3.15Å; Q162-T190 PolarHBondContact N-O 2.56Å; Q162-C191 WeakPolarHBondContact O-CB 3.49Å; Q162-E192 HydrophobicContact CG-CB 4.42Å
163N88.4Confident74.1Confident69 Ų6977.5 Ų77.537%0.36948%0.48SS..THydrogen-bonded Turntrans54.330.8172.1-59.7-50.3000115.1Y186 C191N163-Y186 HydrophobicContact CB-CD1 3.4Å; N163-Y186 VanDerWaalsContact CB-CD1 3.4Å; N163-Y186 HydrophobicContact CB-CD2 3.84Å; N163-Y186 HydrophobicContact CB-CE1 3.52Å; N163-Y186 HydrophobicContact CB-CE2 3.94Å; N163-Y186 HydrophobicContact CB-CG 3.55Å; N163-Y186 VanDerWaalsContact ND2-CD1 3.3Å; N163-Y186 WeakPolarHBondContact ND2-CD1 3.4Å; N163-C191 PolarHBondContact ND2-O 3.38Å
164G85.7Confident74.4Confident62 Ų6274.3 Ų74.364%0.63949%0.486SS*.THydrogen-bonded Turntrans7722.2179.100000114.3Q162Q162-G164 PolarHBondContact O-N 2.63Å
165G86.7Confident74.7Confident16 Ų1677 Ų7717%0.16549%0.49CS..PPolyproline II helixtrans-67.3149.3171.600000112.7C161 Q162 K181C161-G165 VanDerWaalsContact CB-O 3.32Å; C161-G165 WeakPolarHBondContact CB-O 3.26Å; Q162-G165 PolarHBondContact O-N 3.46Å; G165-K181 CarbonylContact C-O 3.49Å; G165-K181 WeakPolarHBondContact CA-O 3.18Å
166T86.6Confident75.2Confident85 Ų8581.6 Ų81.652%0.52151%0.509SS..EExtended strand (participates in β ladder)trans-98.5133.2176.7-55.80000109.9K181T166-K181 PolarHBondContact N-O 3.35Å; T166-K181 PolarHBondContact O-N 2.96Å
167C85.9Confident76.2Confident53 Ų5380.2 Ų80.236%0.35849%0.494SS..EExtended strand (participates in β ladder)trans-85.3121.9173.9-179.10000110.9C155C155-C167 HydrophobicContact CB-CB 3.62Å; C155-C167 WeakPolarHBondContact CB-SG 3.42Å; C155-C167 WeakPolarHBondContact SG-CB 3.44Å; C155-C167 CovalentContact SG-SG 2.01Å; C155-C167 PolarHBondContact SG-SG 3.02Å
168E85.2Confident77.7Confident79 Ų7972.3 Ų72.337%0.36946%0.456SS..EExtended strand (participates in β ladder)trans-113.5150.6174.7-65.7179.3179.900109.6K178 V179 K181E168-K178 CarbonylContact O-C 3.58Å; E168-K178 WeakPolarHBondContact O-CA 3.49Å; E168-V179 PolarHBondContact N-O 3.31Å; E168-V179 PolarHBondContact O-N 2.82Å; E168-K181 VanDerWaalsContact OE1-CD 3.24Å; E168-K181 WeakPolarHBondContact OE1-CD 2.97Å; E168-K181 IonicContact OE1-NZ 2.99Å
169T82.8Confident79.3Confident65 Ų6566.9 Ų66.940%0.39942%0.417SS..EExtended strand (participates in β ladder)trans-102.3123173.5-52.70000108.2E176 K178T169-E176 HydrophobicContact CG2-CB 4.17Å; T169-E176 HydrophobicContact CG2-CG 4.42Å; T169-K178 HydrophobicContact CG2-CD 4.17Å; T169-K178 WeakPolarHBondContact OG1-CD 3.39Å; T169-K178 PolarHBondContact OG1-NZ 2.94Å
170L77.1Confident80.6Confident78 Ų7864.7 Ų64.741%0.40840%0.395SS..EExtended strand (participates in β ladder)trans-107.3139.5172.2-60.9-175000109.1V177 V179L170-V177 PolarHBondContact N-O 2.86Å; L170-V177 PolarHBondContact O-N 2.97Å; L170-V177 VanDerWaalsContact O-O 3.07Å; L170-V179 HydrophobicContact CD1-CB 4.11Å; L170-V179 HydrophobicContact CD1-CG2 3.53Å; L170-V179 HydrophobicContact CG-CB 4.32Å; L170-V179 HydrophobicContact CG-CG2 3.97Å
171V77.8Confident81.2Confident103 Ų10368.7 Ų68.762%0.62441%0.409SS*.EExtended strand (participates in β ladder)trans-101113.2173.1-176.60000107.3E176V171-E176 HydrophobicContact CG2-CG 4.42Å
172I70.3Confident81.4Confident97 Ų9769.1 Ų69.150%0.49741%0.412SS..EExtended strand (participates in β ladder)trans-112.4102.2176.7-56.2178.7000107.3A174 E175 V177I172-A174 PolarHBondContact O-N 3.29Å; I172-E175 PolarHBondContact N-O 3.09Å; I172-E175 PolarHBondContact O-N 3.32Å; I172-V177 HydrophobicContact CD1-CG2 4.28Å
173G75.2Confident81.5Confident74 Ų7471 Ų7176%0.76342%0.418SS*.THydrogen-bonded Turntrans66.2-119.9-172.300000111.4
174A76.5Confident81.3Confident108 Ų10875.1 Ų75.189%0.89344%0.441SS*.THydrogen-bonded Turntrans-97.7-1.217700000113.4I172I172-A174 PolarHBondContact O-N 3.29Å
175E71.9Confident81.3Confident128 Ų12873.9 Ų73.960%0.59843%0.428SS*.EExtended strand (participates in β ladder)trans-102.5133.7-178.1-63.7-165.6158.700111.5I172I172-E175 PolarHBondContact N-O 3.09Å; I172-E175 PolarHBondContact O-N 3.32Å
176E75.9Confident81.3Confident131 Ų13176.7 Ų76.761%0.61243%0.434SS*.EExtended strand (participates in β ladder)trans-84.5119.1166.1-67.2-169.7-179.500109.5T169 V171T169-E176 HydrophobicContact CG2-CB 4.17Å; T169-E176 HydrophobicContact CG2-CG 4.42Å; V171-E176 HydrophobicContact CG2-CG 4.42Å
177V77Confident81.1Confident3 Ų372.6 Ų72.62%0.01841%0.409CS..EExtended strand (participates in β ladder)trans-113.6132.3177.1-173.70000108.4G142 A151 L170 I172G142-V177 WeakPolarHBondContact O-CG1 2.99Å; A151-V177 HydrophobicContact CB-CG1 4.47Å; A151-V177 HydrophobicContact CB-CG2 4.26Å; L170-V177 PolarHBondContact N-O 2.86Å; L170-V177 PolarHBondContact O-N 2.97Å; L170-V177 VanDerWaalsContact O-O 3.07Å; I172-V177 HydrophobicContact CD1-CG2 4.28Å
178K80.3Confident80.7Confident45 Ų4570.2 Ų70.220%0.19639%0.393CS..EExtended strand (participates in β ladder)trans-84.8141.1172.6-57.1-63174.1-176.20109.6G142 L152 E168 T169G142-K178 WeakPolarHBondContact CA-O 3.23Å; L152-K178 WeakPolarHBondContact CB-O 3.4Å; L152-K178 HydrophobicContact CD2-CB 4.11Å; L152-K178 WeakPolarHBondContact CD2-O 3.25Å; L152-K178 HydrophobicContact CG-CB 4.17Å; L152-K178 WeakPolarHBondContact O-CB 3.36Å; L152-K178 PolarHBondContact O-N 2.65Å; E168-K178 CarbonylContact O-C 3.58Å; E168-K178 WeakPolarHBondContact O-CA 3.49Å; T169-K178 HydrophobicContact CG2-CD 4.17Å; T169-K178 WeakPolarHBondContact OG1-CD 3.39Å; T169-K178 PolarHBondContact OG1-NZ 2.94Å
179V82.5Confident80.4Confident14 Ų1467.3 Ų67.39%0.08538%0.381CS..EExtended strand (participates in β ladder)trans-132.5135.4178.21730000110R141 E168 L170R141-V179 HydrophobicContact CB-CG1 3.85Å; R141-V179 HydrophobicContact CG-CG1 4.31Å; E168-V179 PolarHBondContact N-O 3.31Å; E168-V179 PolarHBondContact O-N 2.82Å; L170-V179 HydrophobicContact CD1-CB 4.11Å; L170-V179 HydrophobicContact CD1-CG2 3.53Å; L170-V179 HydrophobicContact CG-CB 4.32Å; L170-V179 HydrophobicContact CG-CG2 3.97Å
180C84.2Confident80.3Confident0 Ų065.7 Ų65.70%037%0.371CS..EExtended strand (participates in β ladder)trans-88.4119.7171.5-69.60000111.2C161 V189C161-C180 WeakPolarHBondContact CA-SG 3.37Å; C161-C180 HydrophobicContact CB-CB 3.7Å; C161-C180 WeakPolarHBondContact CB-SG 2.93Å; C161-C180 WeakPolarHBondContact SG-CA 3.5Å; C161-C180 WeakPolarHBondContact SG-CB 3Å; C161-C180 CovalentContact SG-SG 2.04Å; C161-C180 PolarHBondContact SG-SG 3.21Å; C180-V189 WeakPolarHBondContact CB-O 3.24Å
181K86.8Confident80.7Confident122 Ų12262 Ų6253%0.5335%0.352SS..EExtended strand (participates in β ladder)trans-87.5106167.8-176.3175.2-178.4176.30109G165 T166 E168G165-K181 CarbonylContact C-O 3.49Å; G165-K181 WeakPolarHBondContact CA-O 3.18Å; T166-K181 PolarHBondContact N-O 3.35Å; T166-K181 PolarHBondContact O-N 2.96Å; E168-K181 VanDerWaalsContact OE1-CD 3.24Å; E168-K181 WeakPolarHBondContact OE1-CD 2.97Å; E168-K181 IonicContact OE1-NZ 2.99Å
182C85.8Confident81.1Confident23 Ų2360 Ų6016%0.15534%0.335CS..PPolyproline II helixtrans-77.7146.8-175.9-51.80000112Y186 C191C182-Y186 WeakPolarHBondContact CB-O 3.18Å; C182-C191 WeakPolarHBondContact CA-SG 3.39Å; C182-C191 HydrophobicContact CB-CB 3.72Å; C182-C191 WeakPolarHBondContact CB-SG 3.33Å; C182-C191 PolarHBondContact N-SG 2.82Å; C182-C191 WeakPolarHBondContact SG-CA 3.33Å; C182-C191 WeakPolarHBondContact SG-CB 3.38Å; C182-C191 CovalentContact SG-SG 2.04Å; C182-C191 PolarHBondContact SG-SG 2.88Å
183K88.1Confident81.7Confident135 Ų13559.6 Ų59.659%0.58733%0.328SS*.PPolyproline II helixtrans-70.6153.7169.5-171175.3178.9-177.50109.9G185 Y186K183-G185 PolarHBondContact O-N 3.3Å; K183-Y186 HydrophobicContact CB-CD2 4.46Å; K183-Y186 PolarHBondContact O-N 2.84Å
184D85.6Confident82.3Confident156 Ų15662.7 Ų62.783%0.83432%0.322SS*.THydrogen-bonded Turntrans-49.1130.6176.3-61.9-19.3000111.7
185G84.8Confident82.6Confident37 Ų3758.1 Ų58.138%0.38128%0.283SS..THydrogen-bonded Turntrans89.9-3.5-175.700000115.3K183 E194 V195K183-G185 PolarHBondContact O-N 3.3Å; G185-E194 CarbonylContact O-C 3.01Å; G185-E194 WeakPolarHBondContact O-CA 3.35Å; G185-V195 PolarHBondContact O-N 2.91Å
186Y87.1Confident83.2Confident74 Ų7456.7 Ų56.729%0.2928%0.277SS..EExtended strand (participates in β ladder)trans-122.3148.7177.2-61.8-84000113N163 C182 K183 R193N163-Y186 HydrophobicContact CB-CD1 3.4Å; N163-Y186 VanDerWaalsContact CB-CD1 3.4Å; N163-Y186 HydrophobicContact CB-CD2 3.84Å; N163-Y186 HydrophobicContact CB-CE1 3.52Å; N163-Y186 HydrophobicContact CB-CE2 3.94Å; N163-Y186 HydrophobicContact CB-CG 3.55Å; N163-Y186 VanDerWaalsContact ND2-CD1 3.3Å; N163-Y186 WeakPolarHBondContact ND2-CD1 3.4Å; C182-Y186 WeakPolarHBondContact CB-O 3.18Å; K183-Y186 HydrophobicContact CB-CD2 4.46Å; K183-Y186 PolarHBondContact O-N 2.84Å; Y186-R193 CarbonylContact C-O 3.59Å; Y186-R193 VanDerWaalsContact CA-O 3.25Å; Y186-R193 WeakPolarHBondContact CA-O 3.01Å
187G82.6Confident83.7Confident0 Ų057 Ų570%028%0.276CS..EExtended strand (participates in β ladder)trans-151.4-175.5-178.200000112.8C191 E192 R193 A213G187-C191 CarbonylContact O-C 3.15Å; G187-C191 VanDerWaalsContact O-C 3.27Å; G187-C191 VanDerWaalsContact O-CA 3.25Å; G187-C191 WeakPolarHBondContact O-CA 3.43Å; G187-E192 PolarHBondContact O-N 2.99Å; G187-R193 PolarHBondContact N-O 2.83Å; G187-R193 PolarHBondContact O-N 3.35Å; G187-A213 VanDerWaalsContact CA-O 3.23Å; G187-A213 WeakPolarHBondContact CA-O 3.3Å
188G76.5Confident84.3Confident2 Ų259 Ų592%0.02129%0.29CS..SBendtrans93.8166.9-169.500000112.3T190 C191 E214G188-T190 PolarHBondContact O-N 3.03Å; G188-C191 PolarHBondContact O-N 3.46Å; G188-E214 PolarHBondContact N-O 3.2Å
189V79.4Confident84.6Confident19 Ų1963.3 Ų63.312%0.11531%0.311CS..THydrogen-bonded Turntrans-59.3-33.4-175.4176.30000111.4C139 F143 C180 E192C139-V189 HydrophobicContact CB-CG2 3.86Å; C139-V189 WeakPolarHBondContact O-CG2 3.09Å; F143-V189 VanDerWaalsContact O-CG1 3.28Å; F143-V189 WeakPolarHBondContact O-CG1 3.34Å; F143-V189 WeakPolarHBondContact O-CG2 3.4Å; C180-V189 WeakPolarHBondContact CB-O 3.24Å; V189-E192 PolarHBondContact N-OE2 2.79Å
190T81.7Confident84.7Confident30 Ų3069.5 Ų69.518%0.18434%0.344CS..THydrogen-bonded Turntrans-116.216.6-176.558.70000112.2T160 C161 Q162 G188 E192T160-T190 HydrophobicContact CG2-CG2 3.52Å; T160-T190 VanDerWaalsContact O-CB 3.25Å; T160-T190 WeakPolarHBondContact O-CB 3.45Å; C161-T190 CarbonylContact C-O 3.58Å; Q162-T190 WeakPolarHBondContact CB-O 3.15Å; Q162-T190 PolarHBondContact N-O 2.56Å; G188-T190 PolarHBondContact O-N 3.03Å; T190-E192 VanDerWaalsContact C-OE2 3.28Å; T190-E192 VanDerWaalsContact CA-OE2 3.29Å; T190-E192 WeakPolarHBondContact CA-OE2 3.31Å; T190-E192 WeakPolarHBondContact CB-OE2 3.27Å; T190-E192 PolarHBondContact N-OE2 2.92Å; T190-E192 PolarHBondContact O-N 3.24Å; T190-E192 PolarHBondContact OG1-OE2 2.91Å
191C85.8Confident84.8Confident0 Ų072.5 Ų72.50%036%0.36CS..SBendtrans57.726.5-175.2-48.50000113.6Q162 N163 C182 G187 G188 R193Q162-C191 WeakPolarHBondContact O-CB 3.49Å; N163-C191 PolarHBondContact ND2-O 3.38Å; C182-C191 WeakPolarHBondContact CA-SG 3.39Å; C182-C191 HydrophobicContact CB-CB 3.72Å; C182-C191 WeakPolarHBondContact CB-SG 3.33Å; C182-C191 PolarHBondContact N-SG 2.82Å; C182-C191 WeakPolarHBondContact SG-CA 3.33Å; C182-C191 WeakPolarHBondContact SG-CB 3.38Å; C182-C191 CovalentContact SG-SG 2.04Å; C182-C191 PolarHBondContact SG-SG 2.88Å; G187-C191 CarbonylContact O-C 3.15Å; G187-C191 VanDerWaalsContact O-C 3.27Å; G187-C191 VanDerWaalsContact O-CA 3.25Å; G187-C191 WeakPolarHBondContact O-CA 3.43Å; G188-C191 PolarHBondContact O-N 3.46Å; C191-R193 VanDerWaalsContact C-N 3.32Å; C191-R193 PolarHBondContact O-N 2.76Å
192E84.3Confident85Confident61 Ų6167.7 Ų67.729%0.28534%0.341SS..  trans-79.6-13.4-173.473.6-69.9169.800113.7Q162 G187 V189 T190Q162-E192 HydrophobicContact CG-CB 4.42Å; G187-E192 PolarHBondContact O-N 2.99Å; V189-E192 PolarHBondContact N-OE2 2.79Å; T190-E192 VanDerWaalsContact C-OE2 3.28Å; T190-E192 VanDerWaalsContact CA-OE2 3.29Å; T190-E192 WeakPolarHBondContact CA-OE2 3.31Å; T190-E192 WeakPolarHBondContact CB-OE2 3.27Å; T190-E192 PolarHBondContact N-OE2 2.92Å; T190-E192 PolarHBondContact O-N 3.24Å; T190-E192 PolarHBondContact OG1-OE2 2.91Å
193R84.4Confident85.3Confident90 Ų9066.8 Ų66.834%0.3434%0.335SS..EExtended strand (participates in β ladder)trans-109.6140.1-175.5-54.8-179.1-173.3179.5-9.5110.6Y186 G187 C191 Y215Y186-R193 CarbonylContact C-O 3.59Å; Y186-R193 VanDerWaalsContact CA-O 3.25Å; Y186-R193 WeakPolarHBondContact CA-O 3.01Å; G187-R193 PolarHBondContact N-O 2.83Å; G187-R193 PolarHBondContact O-N 3.35Å; C191-R193 VanDerWaalsContact C-N 3.32Å; C191-R193 PolarHBondContact O-N 2.76Å; R193-Y215 PolarHBondContact NH1-O 3.21Å
194E87.6Confident85.3Confident138 Ų13862.6 Ų62.665%0.64532%0.319SS*.EExtended strand (participates in β ladder)trans-73.8131.3162.9-168172.3-177.400108.4G185 Q196G185-E194 CarbonylContact O-C 3.01Å; G185-E194 WeakPolarHBondContact O-CA 3.35Å; E194-Q196 PolarHBondContact O-N 3.12Å
195V83.2Confident85.5Confident12 Ų1261.5 Ų61.57%0.07330%0.304CS..PPolyproline II helixtrans-66.8122.7179.2179.40000108.1G185 K197 E211 A213G185-V195 PolarHBondContact O-N 2.91Å; V195-K197 PolarHBondContact O-N 2.89Å; V195-E211 HydrophobicContact CG1-CB 4.25Å; V195-A213 HydrophobicContact CG2-CB 4.31Å
196Q84.1Confident85.8Confident99 Ų9961 Ų6146%0.46329%0.292SS..PPolyproline II helixtrans-60.1128.3170.4-67.8-177.2-1200109.6E194 I218E194-Q196 PolarHBondContact O-N 3.12Å; Q196-I218 HydrophobicContact CB-CG2 3.93Å; Q196-I218 VanDerWaalsContact O-CG2 3.26Å; Q196-I218 WeakPolarHBondContact O-CG2 3.48Å
197K86.9Confident86Confident136 Ų13658 Ų5859%0.59129%0.285SS*.PPolyproline II helixtrans-86.3151.3178.5-66.1-179.4-177.5172.20110.2V195 E199V195-K197 PolarHBondContact O-N 2.89Å; K197-E199 PolarHBondContact O-N 3.13Å
198C88Confident86.5Confident47 Ų4761.1 Ų61.132%0.31830%0.304SS..  trans-70.2115.9171.2-72.60000110.4C209 R210 E211C198-C209 WeakPolarHBondContact CA-SG 3.23Å; C198-C209 HydrophobicContact CB-CB 3.71Å; C198-C209 WeakPolarHBondContact CB-SG 3.45Å; C198-C209 WeakPolarHBondContact SG-CB 3.35Å; C198-C209 CovalentContact SG-SG 2.04Å; C198-C209 PolarHBondContact SG-SG 3.31Å; C198-R210 PolarHBondContact SG-N 2.99Å; C198-E211 PolarHBondContact N-OE1 2.81Å
199E88.2Confident87.3Confident134 Ų13462.5 Ų62.563%0.62631%0.313SS*.  trans-99.6159.4164.6-60.9-173.2175.500109.4K197 D201 S202K197-E199 PolarHBondContact O-N 3.13Å; E199-D201 PolarHBondContact O-N 3.3Å; E199-D201 VanDerWaalsContact O-N 3.1Å; E199-S202 PolarHBondContact N-OG 3.23Å; E199-S202 WeakPolarHBondContact O-CB 3.37Å; E199-S202 PolarHBondContact O-N 3.09Å; E199-S202 PolarHBondContact O-OG 3.09Å
200D83.7Confident87.9Confident145 Ų14569.3 Ų69.378%0.77534%0.336SS*.THydrogen-bonded Turntrans-57.6-31.8-174.1-66.6-29.6000112.7Y205D200-Y205 HydrophobicContact CB-CE1 3.72Å; D200-Y205 WeakPolarHBondContact O-CD1 3.5Å; D200-Y205 VanDerWaalsContact O-CE1 3.26Å; D200-Y205 WeakPolarHBondContact O-CE1 3.45Å
201D87.4Confident88.1Confident63 Ų6373.4 Ų73.434%0.33735%0.353SS..THydrogen-bonded Turntrans-96.91.5-179.867.6-17.4000114.5E199 C203 N204 Y205E199-D201 PolarHBondContact O-N 3.3Å; E199-D201 VanDerWaalsContact O-N 3.1Å; D201-C203 PolarHBondContact O-N 3.44Å; D201-C203 VanDerWaalsContact O-N 3.14Å; D201-N204 WeakPolarHBondContact O-CA 3.31Å; D201-N204 PolarHBondContact O-N 3.17Å; D201-Y205 HydrophobicContact CB-CD2 4.2Å; D201-Y205 HydrophobicContact CB-CE1 4.3Å; D201-Y205 HydrophobicContact CB-CE2 3.43Å; D201-Y205 VanDerWaalsContact CB-CE2 3.43Å; D201-Y205 VanDerWaalsContact CB-CZ 3.49Å
202S90.2Very high87.9Confident21 Ų2175 Ų7515%0.14736%0.361CS..THydrogen-bonded Turntrans-53.9-37.9-177-79.30000113.3E199 Y230E199-S202 PolarHBondContact N-OG 3.23Å; E199-S202 WeakPolarHBondContact O-CB 3.37Å; E199-S202 PolarHBondContact O-N 3.09Å; E199-S202 PolarHBondContact O-OG 3.09Å; S202-Y230 WeakPolarHBondContact O-CD1 3.36Å
203C91.3Very high87.5Confident3 Ų374.4 Ų74.42%0.0237%0.367CS..THydrogen-bonded Turntrans-105.531.8174.7-55.30000112.2D201 Y205 N206 C209 C220 Y230D201-C203 PolarHBondContact O-N 3.44Å; D201-C203 VanDerWaalsContact O-N 3.14Å; C203-Y205 PolarHBondContact O-N 3.29Å; C203-N206 PolarHBondContact O-N 2.79Å; C203-C209 VanDerWaalsContact SG-CA 3.5Å; C203-C209 WeakPolarHBondContact SG-CB 3.29Å; C203-C220 WeakPolarHBondContact CA-SG 3.28Å; C203-C220 HydrophobicContact CB-CB 3.71Å; C203-C220 WeakPolarHBondContact CB-SG 3.35Å; C203-C220 WeakPolarHBondContact SG-CA 3.47Å; C203-C220 WeakPolarHBondContact SG-CB 3.47Å; C203-C220 CovalentContact SG-SG 2.03Å; C203-C220 PolarHBondContact SG-SG 2.91Å; C203-Y230 CarbonylContact C-O 3.53Å; C203-Y230 WeakPolarHBondContact CA-O 3.02Å
204N88.8Confident86.8Confident48 Ų4872.6 Ų72.626%0.25736%0.363SS..THydrogen-bonded Turntrans52.724.8-177-75.2-68000114.8D201 N206 Y230D201-N204 WeakPolarHBondContact O-CA 3.31Å; D201-N204 PolarHBondContact O-N 3.17Å; N204-N206 PolarHBondContact O-N 3.35Å; N204-N206 PolarHBondContact O-ND2 2.78Å; N204-Y230 PolarHBondContact ND2-O 3.33Å
205Y88.9Confident86.1Confident133 Ų13366.8 Ų66.852%0.52234%0.335SS..THydrogen-bonded Turntrans60.312.7-170-48.6-86.4000114.8D200 D201 C203D200-Y205 HydrophobicContact CB-CE1 3.72Å; D200-Y205 WeakPolarHBondContact O-CD1 3.5Å; D200-Y205 VanDerWaalsContact O-CE1 3.26Å; D200-Y205 WeakPolarHBondContact O-CE1 3.45Å; D201-Y205 HydrophobicContact CB-CD2 4.2Å; D201-Y205 HydrophobicContact CB-CE1 4.3Å; D201-Y205 HydrophobicContact CB-CE2 3.43Å; D201-Y205 VanDerWaalsContact CB-CE2 3.43Å; D201-Y205 VanDerWaalsContact CB-CZ 3.49Å; C203-Y205 PolarHBondContact O-N 3.29Å
206N91.5Very high85.7Confident25 Ų2566.5 Ų66.513%0.13433%0.334CS..SBendtrans-111.918-174.8-62-37.9000112.6C203 N204 Y223 Y226 C231 I239C203-N206 PolarHBondContact O-N 2.79Å; N204-N206 PolarHBondContact O-N 3.35Å; N204-N206 PolarHBondContact O-ND2 2.78Å; N206-Y223 WeakPolarHBondContact O-CD2 3.33Å; N206-Y223 PolarHBondContact O-N 3.22Å; N206-Y226 HydrophobicContact CB-CD1 3.65Å; N206-Y226 HydrophobicContact CB-CD2 4.08Å; N206-Y226 HydrophobicContact CB-CE1 3.9Å; N206-Y226 HydrophobicContact CB-CE2 4.28Å; N206-Y226 HydrophobicContact CB-CG 3.75Å; N206-C231 HydrophobicContact CB-CB 3.75Å; N206-C231 PolarHBondContact ND2-O 2.9Å; N206-C231 VanDerWaalsContact ND2-O 3.17Å; N206-I239 WeakPolarHBondContact ND2-CD1 3.3Å
207G91.2Very high85.5Confident12 Ų1263.3 Ų63.312%0.12432%0.32CS..EExtended strand (participates in β ladder)trans-170.3175.8178.600000113.1T221G207-T221 CarbonylContact C-O 3.5Å; G207-T221 WeakPolarHBondContact CA-O 3.37Å
208V93.7Very high85.5Confident66 Ų6657.2 Ų57.240%0.429%0.294SS..EExtended strand (participates in β ladder)trans-92.7121.8173.9-1790000108.8T221 Y223V208-T221 PolarHBondContact N-O 3.27Å; V208-T221 PolarHBondContact O-N 2.88Å; V208-Y223 HydrophobicContact CG2-CE1 4.09Å
209C92.8Very high85.6Confident31 Ų3160.1 Ų60.121%0.20930%0.303CS..EExtended strand (participates in β ladder)trans-84.5137.7175.1-175.20000111.1C198 C203C198-C209 WeakPolarHBondContact CA-SG 3.23Å; C198-C209 HydrophobicContact CB-CB 3.71Å; C198-C209 WeakPolarHBondContact CB-SG 3.45Å; C198-C209 WeakPolarHBondContact SG-CB 3.35Å; C198-C209 CovalentContact SG-SG 2.04Å; C198-C209 PolarHBondContact SG-SG 3.31Å; C203-C209 VanDerWaalsContact SG-CA 3.5Å; C203-C209 WeakPolarHBondContact SG-CB 3.29Å
210R91.6Very high85.8Confident161 Ų16154.7 Ų54.761%0.60828%0.279SS*.EExtended strand (participates in β ladder)trans-132141.2169.1-67.4-178.1174.6166.9-0.5110.2C198 I218 E219C198-R210 PolarHBondContact SG-N 2.99Å; R210-I218 CarbonylContact O-C 3.5Å; R210-I218 WeakPolarHBondContact O-CA 3.37Å; R210-E219 PolarHBondContact N-O 2.93Å; R210-E219 PolarHBondContact O-N 2.86Å
211E86.6Confident86.3Confident116 Ų11651.4 Ų51.454%0.54226%0.264SS..EExtended strand (participates in β ladder)trans-80.1129.9175.7-60.6177.1175.900109.8V195 C198V195-E211 HydrophobicContact CG1-CB 4.25Å; C198-E211 PolarHBondContact N-OE1 2.81Å
212N81.3Confident86.6Confident33 Ų3350.1 Ų50.118%0.17626%0.26CS..EExtended strand (participates in β ladder)trans-112.695.6177.2-170.4-28.3000110.7E214 G216 M217N212-E214 PolarHBondContact O-N 3.09Å; N212-E214 WeakPolarHBondContact OD1-CA 3.25Å; N212-E214 WeakPolarHBondContact OD1-CB 3.38Å; N212-E214 PolarHBondContact OD1-N 3.48Å; N212-G216 PolarHBondContact O-N 3.22Å; N212-M217 CarbonylContact C-O 3.59Å; N212-M217 VanDerWaalsContact CA-O 3.29Å; N212-M217 WeakPolarHBondContact CA-O 3.27Å; N212-M217 HydrophobicContact CB-CG 4.38Å; N212-M217 VanDerWaalsContact CB-O 3.25Å; N212-M217 WeakPolarHBondContact CB-O 3.46Å; N212-M217 PolarHBondContact N-O 2.92Å; N212-M217 PolarHBondContact O-N 2.62Å
213A75.7Confident86.7Confident49 Ų4955.2 Ų55.241%0.40528%0.277SS..THydrogen-bonded Turntrans-67.7-15.7177.500000113.8R141 G187 V195R141-A213 PolarHBondContact NH2-O 3.32Å; G187-A213 VanDerWaalsContact CA-O 3.23Å; G187-A213 WeakPolarHBondContact CA-O 3.3Å; V195-A213 HydrophobicContact CG2-CB 4.31Å
214E70.6Confident86.7Confident53 Ų5363.5 Ų63.525%0.24832%0.315CS..THydrogen-bonded Turntrans-66.4-43.5178.2-168.3164.5-170.900111.7R141 G188 N212R141-E214 HydrophobicContact CG-CG 4.23Å; G188-E214 PolarHBondContact N-O 3.2Å; N212-E214 PolarHBondContact O-N 3.09Å; N212-E214 WeakPolarHBondContact OD1-CA 3.25Å; N212-E214 WeakPolarHBondContact OD1-CB 3.38Å; N212-E214 PolarHBondContact OD1-N 3.48Å
215Y71.8Confident86.5Confident15 Ų1564.5 Ų64.56%0.05933%0.326CS..THydrogen-bonded Turntrans-108.5-9.5-178-54.2-73.2000114F138 C139 R140 R193 M217F138-Y215 HydrophobicContact CB-CD1 3.83Å; F138-Y215 HydrophobicContact CB-CE1 4.3Å; F138-Y215 HydrophobicContact CB-CG 4.49Å; C139-Y215 WeakPolarHBondContact O-CE1 3.49Å; R140-Y215 HydrophobicContact CG-CE1 4.33Å; R140-Y215 WeakPolarHBondContact CG-OH 3.48Å; R193-Y215 PolarHBondContact NH1-O 3.21Å; Y215-M217 HydrophobicContact CD2-SD 4.5Å; Y215-M217 HydrophobicContact CG-SD 4.4Å
216G74.8Confident86.6Confident6 Ų661 Ų616%0.06231%0.312CS..THydrogen-bonded Turntrans77.532.2-17600000113.3N212N212-G216 PolarHBondContact O-N 3.22Å
217M80.1Confident86.5Confident32 Ų3264.9 Ų64.916%0.15833%0.329CS..EExtended strand (participates in β ladder)trans-133.8166.8-174.568.1-168.7-72.400111.4N212 Y215 E229N212-M217 CarbonylContact C-O 3.59Å; N212-M217 VanDerWaalsContact CA-O 3.29Å; N212-M217 WeakPolarHBondContact CA-O 3.27Å; N212-M217 HydrophobicContact CB-CG 4.38Å; N212-M217 VanDerWaalsContact CB-O 3.25Å; N212-M217 WeakPolarHBondContact CB-O 3.46Å; N212-M217 PolarHBondContact N-O 2.92Å; N212-M217 PolarHBondContact O-N 2.62Å; Y215-M217 HydrophobicContact CD2-SD 4.5Å; Y215-M217 HydrophobicContact CG-SD 4.4Å; M217-E229 WeakPolarHBondContact CE-OE1 3.33Å
218I87.3Confident86.2Confident9 Ų965.9 Ų65.95%0.04634%0.34CS..EExtended strand (participates in β ladder)trans-86.2154.416758.9167.7000110.9Q196 R210 Y230Q196-I218 HydrophobicContact CB-CG2 3.93Å; Q196-I218 VanDerWaalsContact O-CG2 3.26Å; Q196-I218 WeakPolarHBondContact O-CG2 3.48Å; R210-I218 CarbonylContact O-C 3.5Å; R210-I218 WeakPolarHBondContact O-CA 3.37Å; I218-Y230 HydrophobicContact CD1-CD1 4.07Å; I218-Y230 HydrophobicContact CD1-CE1 3.87Å; I218-Y230 HydrophobicContact CG1-CE1 4.05Å
219E89.4Confident85.8Confident108 Ų10866.7 Ų66.751%0.50534%0.339SS..EExtended strand (participates in β ladder)trans-123122.7173.1-176.6177.5-173.500109R210R210-E219 PolarHBondContact N-O 2.93Å; R210-E219 PolarHBondContact O-N 2.86Å
220C92.1Very high85.7Confident20 Ų2069.4 Ų69.414%0.13535%0.346CS..EExtended strand (participates in β ladder)trans-101.9121.9179.3-66.90000111.5C203 E229C203-C220 WeakPolarHBondContact CA-SG 3.28Å; C203-C220 HydrophobicContact CB-CB 3.71Å; C203-C220 WeakPolarHBondContact CB-SG 3.35Å; C203-C220 WeakPolarHBondContact SG-CA 3.47Å; C203-C220 WeakPolarHBondContact SG-CB 3.47Å; C203-C220 CovalentContact SG-SG 2.03Å; C203-C220 PolarHBondContact SG-SG 2.91Å; C220-E229 VanDerWaalsContact CB-O 3.26Å; C220-E229 WeakPolarHBondContact CB-O 3.36Å
221T94.8Very high85.7Confident75 Ų7561.8 Ų61.846%0.4632%0.317SS..EExtended strand (participates in β ladder)trans-93.3102.2167.1-52.80000109.1G207 V208G207-T221 CarbonylContact C-O 3.5Å; G207-T221 WeakPolarHBondContact CA-O 3.37Å; V208-T221 PolarHBondContact N-O 3.27Å; V208-T221 PolarHBondContact O-N 2.88Å
222C93.2Very high85.8Confident36 Ų3658.3 Ų58.324%0.24330%0.302CS..EExtended strand (participates in β ladder)trans-70.2144.6-175.1-550000113.1G228 C231C222-G228 PolarHBondContact SG-O 2.93Å; C222-G228 VanDerWaalsContact SG-O 3.39Å; C222-C231 WeakPolarHBondContact CA-SG 3.38Å; C222-C231 HydrophobicContact CB-CB 3.85Å; C222-C231 WeakPolarHBondContact CB-SG 3.35Å; C222-C231 WeakPolarHBondContact SG-CA 3.37Å; C222-C231 WeakPolarHBondContact SG-CB 3.48Å; C222-C231 CovalentContact SG-SG 2.05Å; C222-C231 PolarHBondContact SG-SG 2.73Å
223Y93.4Very high86.1Confident128 Ų12860.3 Ų60.350%0.50231%0.31SS..PPolyproline II helixtrans-68.4168.1170.3-61.8-48.8000111.4N206 V208 S225 Y226N206-Y223 WeakPolarHBondContact O-CD2 3.33Å; N206-Y223 PolarHBondContact O-N 3.22Å; V208-Y223 HydrophobicContact CG2-CE1 4.09Å; Y223-S225 PolarHBondContact O-N 2.77Å; Y223-Y226 WeakPolarHBondContact O-CB 3.25Å; Y223-Y226 PolarHBondContact O-N 2.92Å
224E90.1Very high86.6Confident178 Ų17862.5 Ų62.583%0.83231%0.31SS*.THydrogen-bonded Turntrans-51.8137.6179-66.9-175.217300112.3Y226E224-Y226 WeakPolarHBondContact O-CD2 3.49Å; E224-Y226 PolarHBondContact O-N 2.86Å
225S86.5Confident87Confident68 Ų6865.7 Ų65.748%0.47633%0.329SS..THydrogen-bonded Turntrans72.6-5.1-176.3-380000116.3Y223 K234 D235Y223-S225 PolarHBondContact O-N 2.77Å; S225-K234 WeakPolarHBondContact O-CA 3.22Å; S225-D235 PolarHBondContact O-N 2.81Å
226Y91Very high87Confident61 Ų6166.9 Ų66.924%0.23935%0.346CS..EExtended strand (participates in β ladder)trans-98.4147.6175.1-64.4-82.9000112.2N206 Y223 E224 K233 K234 I239N206-Y226 HydrophobicContact CB-CD1 3.65Å; N206-Y226 HydrophobicContact CB-CD2 4.08Å; N206-Y226 HydrophobicContact CB-CE1 3.9Å; N206-Y226 HydrophobicContact CB-CE2 4.28Å; N206-Y226 HydrophobicContact CB-CG 3.75Å; Y223-Y226 WeakPolarHBondContact O-CB 3.25Å; Y223-Y226 PolarHBondContact O-N 2.92Å; E224-Y226 WeakPolarHBondContact O-CD2 3.49Å; E224-Y226 PolarHBondContact O-N 2.86Å; Y226-K233 CarbonylContact C-O 3.57Å; Y226-K233 VanDerWaalsContact CA-O 3.25Å; Y226-K233 WeakPolarHBondContact CA-O 3.28Å; Y226-K234 HydrophobicContact CD1-CB 4.09Å; Y226-K234 HydrophobicContact CD1-CG 4.42Å; Y226-K234 HydrophobicContact CE1-CB 4.04Å; Y226-K234 HydrophobicContact CE1-CD 4.08Å; Y226-K234 HydrophobicContact CE1-CG 4.22Å; Y226-I239 HydrophobicContact CD1-CD1 3.74Å; Y226-I239 HydrophobicContact CE1-CD1 3.6Å
227Q88.3Confident87.1Confident105 Ų10574.4 Ų74.449%0.49138%0.377SS..EExtended strand (participates in β ladder)trans-145.5168.9-176.1-59.7178.815.900110.5C231 D232 K233Q227-C231 CarbonylContact O-C 3.28Å; Q227-C231 WeakPolarHBondContact O-CA 3.19Å; Q227-D232 PolarHBondContact O-N 3.14Å; Q227-K233 HydrophobicContact CB-CB 4.27Å; Q227-K233 PolarHBondContact N-O 2.62Å; Q227-K233 WeakPolarHBondContact O-CB 3.38Å; Q227-K233 PolarHBondContact O-N 3.42Å
228G85Confident87Confident34 Ų3478 Ų7835%0.35140%0.396SS..SBendtrans96.9159.6-17800000112.3C222 Y230 C231C222-G228 PolarHBondContact SG-O 2.93Å; C222-G228 VanDerWaalsContact SG-O 3.39Å; G228-Y230 PolarHBondContact O-N 3.39Å; G228-C231 PolarHBondContact O-N 2.78Å; G228-C231 VanDerWaalsContact O-N 3.15Å
229E85.8Confident86.4Confident82 Ų8280.6 Ų80.638%0.38341%0.409SS..THydrogen-bonded Turntrans-60.1-28.5-178-174.2175.4-177.500112.7M217 C220M217-E229 WeakPolarHBondContact CE-OE1 3.33Å; C220-E229 VanDerWaalsContact CB-O 3.26Å; C220-E229 WeakPolarHBondContact CB-O 3.36Å
230Y90Very high85.3Confident89 Ų8982 Ų8235%0.34942%0.416SS..THydrogen-bonded Turntrans-116.317.1178.7-58.2-76.9000112.7S202 C203 N204 I218 G228 D232S202-Y230 WeakPolarHBondContact O-CD1 3.36Å; C203-Y230 CarbonylContact C-O 3.53Å; C203-Y230 WeakPolarHBondContact CA-O 3.02Å; N204-Y230 PolarHBondContact ND2-O 3.33Å; I218-Y230 HydrophobicContact CD1-CD1 4.07Å; I218-Y230 HydrophobicContact CD1-CE1 3.87Å; I218-Y230 HydrophobicContact CG1-CE1 4.05Å; G228-Y230 PolarHBondContact O-N 3.39Å; Y230-D232 PolarHBondContact O-N 3.08Å
231C91.2Very high83.8Confident0 Ų087.7 Ų87.70%043%0.434CS..SBendtrans54.140-176.9-46.70000113.3N206 C222 Q227 G228N206-C231 HydrophobicContact CB-CB 3.75Å; N206-C231 PolarHBondContact ND2-O 2.9Å; N206-C231 VanDerWaalsContact ND2-O 3.17Å; C222-C231 WeakPolarHBondContact CA-SG 3.38Å; C222-C231 HydrophobicContact CB-CB 3.85Å; C222-C231 WeakPolarHBondContact CB-SG 3.35Å; C222-C231 WeakPolarHBondContact SG-CA 3.37Å; C222-C231 WeakPolarHBondContact SG-CB 3.48Å; C222-C231 CovalentContact SG-SG 2.05Å; C222-C231 PolarHBondContact SG-SG 2.73Å; Q227-C231 CarbonylContact O-C 3.28Å; Q227-C231 WeakPolarHBondContact O-CA 3.19Å; G228-C231 PolarHBondContact O-N 2.78Å; G228-C231 VanDerWaalsContact O-N 3.15Å
232D88.5Confident81.9Confident43 Ų4389.6 Ų89.623%0.2344%0.441CS..  trans-91.6-2.6-175.568.3-40.4000112.9Q227 Y230 L238 I239Q227-D232 PolarHBondContact O-N 3.14Å; Y230-D232 PolarHBondContact O-N 3.08Å; D232-L238 WeakPolarHBondContact OD2-CD1 3.48Å; D232-I239 WeakPolarHBondContact O-CB 2.98Å; D232-I239 WeakPolarHBondContact O-CG1 3.5Å; D232-I239 PolarHBondContact O-N 3.14Å
233K88.2Confident80.3Confident76 Ų7693.9 Ų93.933%0.3346%0.461SS..EExtended strand (participates in β ladder)trans-120.1139.8179.7-63.2169.7-171.1175.80110.8Y226 Q227 K237 L238Y226-K233 CarbonylContact C-O 3.57Å; Y226-K233 VanDerWaalsContact CA-O 3.25Å; Y226-K233 WeakPolarHBondContact CA-O 3.28Å; Q227-K233 HydrophobicContact CB-CB 4.27Å; Q227-K233 PolarHBondContact N-O 2.62Å; Q227-K233 WeakPolarHBondContact O-CB 3.38Å; Q227-K233 PolarHBondContact O-N 3.42Å; K233-K237 CarbonylContact C-O 3.49Å; K233-K237 WeakPolarHBondContact CA-O 3.34Å; K233-L238 HydrophobicContact CG-CD1 4.13Å
234K85.9Confident78.4Confident95 Ų9593.5 Ų93.541%0.41347%0.467SS..EExtended strand (participates in β ladder)trans-124.2127.4169.4-173179.6177.8176.50108.7S225 Y226 G236 K237 I239S225-K234 WeakPolarHBondContact O-CA 3.22Å; Y226-K234 HydrophobicContact CD1-CB 4.09Å; Y226-K234 HydrophobicContact CD1-CG 4.42Å; Y226-K234 HydrophobicContact CE1-CB 4.04Å; Y226-K234 HydrophobicContact CE1-CD 4.08Å; Y226-K234 HydrophobicContact CE1-CG 4.22Å; K234-G236 PolarHBondContact O-N 3.18Å; K234-G236 VanDerWaalsContact O-N 3.16Å; K234-K237 PolarHBondContact N-O 3.37Å; K234-K237 PolarHBondContact O-N 2.88Å; K234-I239 HydrophobicContact CB-CD1 4.44Å; K234-I239 HydrophobicContact CB-CG1 4.16Å
235D79.5Confident77.1Confident119 Ų11989 Ų8964%0.63645%0.453SS*.THydrogen-bonded Turntrans52.537-176.8-53.1-48.1000113.1S225 K237S225-D235 PolarHBondContact O-N 2.81Å; D235-K237 PolarHBondContact O-N 2.88Å
236G71.2Confident76.2Confident41 Ų4188.9 Ų88.942%0.42345%0.45SS..THydrogen-bonded Turntrans75.7-1.4-178.900000115.8K234K234-G236 PolarHBondContact O-N 3.18Å; K234-G236 VanDerWaalsContact O-N 3.16Å
237K77.6Confident75.3Confident164 Ų16491.1 Ų91.171%0.71347%0.472SS*.EExtended strand (participates in β ladder)trans-99.3138.2174.8-66.3-178.9-178.5177.10110.3K233 K234 D235 I239K233-K237 CarbonylContact C-O 3.49Å; K233-K237 WeakPolarHBondContact CA-O 3.34Å; K234-K237 PolarHBondContact N-O 3.37Å; K234-K237 PolarHBondContact O-N 2.88Å; D235-K237 PolarHBondContact O-N 2.88Å; K237-I239 PolarHBondContact O-N 2.85Å
238L78.7Confident74.6Confident108 Ų10889.7 Ų89.757%0.56547%0.474SS*.EExtended strand (participates in β ladder)trans-57.7134.4171.6-146.489000108.5D232 K233 E240D232-L238 WeakPolarHBondContact OD2-CD1 3.48Å; K233-L238 HydrophobicContact CG-CD1 4.13Å; L238-E240 PolarHBondContact O-N 2.89Å
239I74.5Confident74Confident62 Ų6290.5 Ų90.532%0.31847%0.47SS..  trans-73.379.3167.7-55165.5000105.1N206 Y226 D232 K234 K237 R241N206-I239 WeakPolarHBondContact ND2-CD1 3.3Å; Y226-I239 HydrophobicContact CD1-CD1 3.74Å; Y226-I239 HydrophobicContact CE1-CD1 3.6Å; D232-I239 WeakPolarHBondContact O-CB 2.98Å; D232-I239 WeakPolarHBondContact O-CG1 3.5Å; D232-I239 PolarHBondContact O-N 3.14Å; K234-I239 HydrophobicContact CB-CD1 4.44Å; K234-I239 HydrophobicContact CB-CG1 4.16Å; K237-I239 PolarHBondContact O-N 2.85Å; I239-R241 VanDerWaalsContact C-N 3.32Å; I239-R241 PolarHBondContact O-N 3.23Å
240E65.4Low73.6Confident139 Ų13989.8 Ų89.865%0.6547%0.471SS*.  trans-58.6108.7160.9-82.4-169.7152.300105.4L238 L242L238-E240 PolarHBondContact O-N 2.89Å; E240-L242 HydrophobicContact CB-CD1 3.68Å; E240-L242 HydrophobicContact CB-CG 4.45Å; E240-L242 PolarHBondContact O-N 3.4Å
241R61.6Low73.3Confident138 Ų13889.6 Ų89.652%0.52148%0.479SS..  trans-64.878.8155.6-68.4-167.3-177-176.35.6105.4I239 I243I239-R241 VanDerWaalsContact C-N 3.32Å; I239-R241 PolarHBondContact O-N 3.23Å; R241-I243 PolarHBondContact O-N 2.79Å
242L54.4Low72.8Confident115 Ų11594.8 Ų94.860%0.60251%0.506SS*.  trans-57.2102162.2-84100.8000104.4E240 N244E240-L242 HydrophobicContact CB-CD1 3.68Å; E240-L242 HydrophobicContact CB-CG 4.45Å; E240-L242 PolarHBondContact O-N 3.4Å; L242-N244 PolarHBondContact O-N 3.27Å
243I60.4Low72.5Confident127 Ų12796.8 Ų96.865%0.65152%0.52SS*.  trans-64.286.5157.1-58172.7000103.1R241 P245R241-I243 PolarHBondContact O-N 2.79Å; I243-P245 VanDerWaalsContact O-CD 3.26Å; I243-P245 WeakPolarHBondContact O-CD 3.47Å
244N53Low72.5Confident119 Ų11996.9 Ų96.964%0.63653%0.527SS*.  trans-57.1116.5171-86.5-24.8000105.2L242 T246L242-N244 PolarHBondContact O-N 3.27Å; N244-T246 PolarHBondContact O-N 2.76Å
245P61.7Low72.7Confident83 Ų8395.7 Ų95.754%0.53953%0.527SS..  trans-66.5114.9-177.830.4-34.8000105.6I243 V250I243-P245 VanDerWaalsContact O-CD 3.26Å; I243-P245 WeakPolarHBondContact O-CD 3.47Å; P245-V250 HydrophobicContact CB-CG2 3.57Å; P245-V250 HydrophobicContact CG-CG2 3.95Å
246T67.6Low73.1Confident66 Ų6692 Ų9241%0.40552%0.517SS..  trans-60.5150.3171.160.20000107.7N244 S248 N249 V250N244-T246 PolarHBondContact O-N 2.76Å; T246-S248 PolarHBondContact O-N 2.97Å; T246-N249 WeakPolarHBondContact O-CA 3.26Å; T246-N249 WeakPolarHBondContact O-CB 3.43Å; T246-N249 PolarHBondContact O-N 3.18Å; T246-N249 PolarHBondContact OG1-N 2.54Å; T246-N249 PolarHBondContact OG1-ND2 3.04Å; T246-N249 PolarHBondContact OG1-OD1 2.97Å; T246-V250 PolarHBondContact O-N 3.14Å; T246-V250 VanDerWaalsContact O-N 3.09Å
247P72.3Confident74.1Confident108 Ų10897.5 Ų97.570%0.70153%0.53SS*.Hα-helixtrans-49.7-35.7178.1-26.232.5000112.1V250 V251P247-V250 PolarHBondContact O-N 3.24Å; P247-V251 VanDerWaalsContact O-CG2 3.23Å; P247-V251 WeakPolarHBondContact O-CG2 3.44Å; P247-V251 PolarHBondContact O-N 2.69Å
248S73.2Confident74.8Confident76 Ų7693.4 Ų93.453%0.53152%0.519SS..Hα-helixtrans-63.5-42175.2-43.20000113.5T246 V251 N252T246-S248 PolarHBondContact O-N 2.97Å; S248-V251 PolarHBondContact O-N 3.25Å; S248-N252 WeakPolarHBondContact O-CB 3.32Å; S248-N252 PolarHBondContact O-N 3.03Å; S248-N252 PolarHBondContact O-ND2 3.38Å
249N74Confident75.5Confident51 Ų5193.1 Ų93.127%0.27352%0.517SS..Hα-helixtrans-68.8-39.9179-65.6-9.3000111T246 N252 V253T246-N249 WeakPolarHBondContact O-CA 3.26Å; T246-N249 WeakPolarHBondContact O-CB 3.43Å; T246-N249 PolarHBondContact O-N 3.18Å; T246-N249 PolarHBondContact OG1-N 2.54Å; T246-N249 PolarHBondContact OG1-ND2 3.04Å; T246-N249 PolarHBondContact OG1-OD1 2.97Å; N249-N252 PolarHBondContact O-N 3.35Å; N249-V253 VanDerWaalsContact O-CG2 3.28Å; N249-V253 WeakPolarHBondContact O-CG2 3.47Å; N249-V253 PolarHBondContact O-N 3.22Å
250V77.1Confident76.3Confident67 Ų6791.5 Ų91.541%0.40652%0.515SS..Hα-helixtrans-61.9-48.2174.9-176.10000110.4P245 T246 P247 N252 V253 V254P245-V250 HydrophobicContact CB-CG2 3.57Å; P245-V250 HydrophobicContact CG-CG2 3.95Å; T246-V250 PolarHBondContact O-N 3.14Å; T246-V250 VanDerWaalsContact O-N 3.09Å; P247-V250 PolarHBondContact O-N 3.24Å; V250-N252 VanDerWaalsContact C-N 3.32Å; V250-N252 PolarHBondContact O-N 2.94Å; V250-V253 PolarHBondContact O-N 3.29Å; V250-V254 HydrophobicContact CG1-CG2 4.2Å; V250-V254 WeakPolarHBondContact O-CB 3.39Å; V250-V254 VanDerWaalsContact O-CG2 3.28Å; V250-V254 WeakPolarHBondContact O-CG2 3.49Å; V250-V254 PolarHBondContact O-N 2.97Å
251V82.3Confident77.4Confident84 Ų8491.9 Ų91.951%0.50952%0.515SS..Hα-helixtrans-59-44.9178.9171.90000110.6P247 S248 V253 V254 V255P247-V251 VanDerWaalsContact O-CG2 3.23Å; P247-V251 WeakPolarHBondContact O-CG2 3.44Å; P247-V251 PolarHBondContact O-N 2.69Å; S248-V251 PolarHBondContact O-N 3.25Å; V251-V253 PolarHBondContact O-N 3.4Å; V251-V254 PolarHBondContact O-N 3.35Å; V251-V255 HydrophobicContact CG1-CG2 4.09Å; V251-V255 VanDerWaalsContact O-CB 3.32Å; V251-V255 WeakPolarHBondContact O-CB 3.5Å; V251-V255 WeakPolarHBondContact O-CG2 3.28Å; V251-V255 PolarHBondContact O-N 3.14Å
252N81.6Confident78.8Confident109 Ų10989.7 Ų89.758%0.58351%0.513SS*.Hα-helixtrans-63.8-39.7179-71.2-21.6000112.9S248 N249 V250 G256S248-N252 WeakPolarHBondContact O-CB 3.32Å; S248-N252 PolarHBondContact O-N 3.03Å; S248-N252 PolarHBondContact O-ND2 3.38Å; N249-N252 PolarHBondContact O-N 3.35Å; V250-N252 VanDerWaalsContact C-N 3.32Å; V250-N252 PolarHBondContact O-N 2.94Å; N252-G256 PolarHBondContact O-N 3Å
253V83.1Confident80.4Confident85 Ų8589.9 Ų89.952%0.51551%0.512SS..Hα-helixtrans-65.8-46.5176.2170.50000110.5N249 V250 V251 G256 F257N249-V253 VanDerWaalsContact O-CG2 3.28Å; N249-V253 WeakPolarHBondContact O-CG2 3.47Å; N249-V253 PolarHBondContact O-N 3.22Å; V250-V253 PolarHBondContact O-N 3.29Å; V251-V253 PolarHBondContact O-N 3.4Å; V253-G256 PolarHBondContact O-N 3.21Å; V253-F257 HydrophobicContact CG1-CD2 3.66Å; V253-F257 HydrophobicContact CG1-CE2 3.58Å; V253-F257 VanDerWaalsContact O-CD2 3.24Å; V253-F257 WeakPolarHBondContact O-CD2 3.48Å; V253-F257 PolarHBondContact O-N 3.19Å
254V88.1Confident81.7Confident78 Ų7888.2 Ų88.247%0.47351%0.505SS..Hα-helixtrans-62.8-46.6178.3173.50000111V250 V251 G256 F257 V258V250-V254 HydrophobicContact CG1-CG2 4.2Å; V250-V254 WeakPolarHBondContact O-CB 3.39Å; V250-V254 VanDerWaalsContact O-CG2 3.28Å; V250-V254 WeakPolarHBondContact O-CG2 3.49Å; V250-V254 PolarHBondContact O-N 2.97Å; V251-V254 PolarHBondContact O-N 3.35Å; V254-G256 VanDerWaalsContact C-N 3.29Å; V254-G256 PolarHBondContact O-N 3.02Å; V254-F257 PolarHBondContact O-N 3.44Å; V254-V258 HydrophobicContact CG1-CG2 4.36Å; V254-V258 VanDerWaalsContact O-CG2 3.29Å; V254-V258 WeakPolarHBondContact O-CG2 3.28Å; V254-V258 PolarHBondContact O-N 3.24Å
255V89.8Confident83.2Confident70 Ų7086 Ų8642%0.42450%0.495SS..Hα-helixtrans-59.7-42.2175.4170.90000110.4V251 V258 L259V251-V255 HydrophobicContact CG1-CG2 4.09Å; V251-V255 VanDerWaalsContact O-CB 3.32Å; V251-V255 WeakPolarHBondContact O-CB 3.5Å; V251-V255 WeakPolarHBondContact O-CG2 3.28Å; V251-V255 PolarHBondContact O-N 3.14Å; V255-V258 PolarHBondContact O-N 3.19Å; V255-L259 HydrophobicContact CG1-CD1 3.74Å; V255-L259 HydrophobicContact CG1-CG 4.21Å; V255-L259 WeakPolarHBondContact O-CB 3.34Å; V255-L259 VanDerWaalsContact O-CG 3.24Å; V255-L259 WeakPolarHBondContact O-CG 3.24Å; V255-L259 PolarHBondContact O-N 3.09Å
256G87.4Confident84.3Confident41 Ų4187.8 Ų87.842%0.42350%0.5SS..Hα-helixtrans-60.3-44.8175.200000113.2N252 V253 V254 G260N252-G256 PolarHBondContact O-N 3Å; V253-G256 PolarHBondContact O-N 3.21Å; V254-G256 VanDerWaalsContact C-N 3.29Å; V254-G256 PolarHBondContact O-N 3.02Å; G256-G260 PolarHBondContact O-N 3.36Å
257F91.3Very high85.1Confident157 Ų15788 Ų8869%0.68950%0.503SS*.Hα-helixtrans-65.2-43.2175.6-85.7-70.2000112.3V253 V254 G260 F261V253-F257 HydrophobicContact CG1-CD2 3.66Å; V253-F257 HydrophobicContact CG1-CE2 3.58Å; V253-F257 VanDerWaalsContact O-CD2 3.24Å; V253-F257 WeakPolarHBondContact O-CD2 3.48Å; V253-F257 PolarHBondContact O-N 3.19Å; V254-F257 PolarHBondContact O-N 3.44Å; F257-G260 PolarHBondContact O-N 2.84Å; F257-F261 WeakPolarHBondContact O-CB 3.49Å; F257-F261 PolarHBondContact O-N 3.42Å
258V93.5Very high85.4Confident79 Ų7989.8 Ų89.848%0.47950%0.5SS..Hα-helixtrans-64.1-46.6178.3172.80000110.8V254 V255 F261 L262V254-V258 HydrophobicContact CG1-CG2 4.36Å; V254-V258 VanDerWaalsContact O-CG2 3.29Å; V254-V258 WeakPolarHBondContact O-CG2 3.28Å; V254-V258 PolarHBondContact O-N 3.24Å; V255-V258 PolarHBondContact O-N 3.19Å; V258-F261 PolarHBondContact O-N 3.2Å; V258-L262 HydrophobicContact CG1-CD1 3.98Å; V258-L262 WeakPolarHBondContact O-CB 3.23Å; V258-L262 VanDerWaalsContact O-CG 3.3Å; V258-L262 WeakPolarHBondContact O-CG 3.28Å; V258-L262 PolarHBondContact O-N 2.89Å
259L92.7Very high85.2Confident102 Ų10287.9 Ų87.953%0.53449%0.493SS..Hα-helixtrans-64.5-40.4176.2-69.2175.6000111.7V255 L262 M263V255-L259 HydrophobicContact CG1-CD1 3.74Å; V255-L259 HydrophobicContact CG1-CG 4.21Å; V255-L259 WeakPolarHBondContact O-CB 3.34Å; V255-L259 VanDerWaalsContact O-CG 3.24Å; V255-L259 WeakPolarHBondContact O-CG 3.24Å; V255-L259 PolarHBondContact O-N 3.09Å; L259-L262 PolarHBondContact O-N 3.23Å; L259-M263 WeakPolarHBondContact O-CB 3.35Å; L259-M263 VanDerWaalsContact O-CG 3.24Å; L259-M263 WeakPolarHBondContact O-CG 3.29Å; L259-M263 PolarHBondContact O-N 2.9Å
260G90.9Very high84.8Confident27 Ų2787.4 Ų87.428%0.27850%0.5SS..Hα-helixtrans-61.9-43.3175.200000112.3G256 F257 M263 L264G256-G260 PolarHBondContact O-N 3.36Å; F257-G260 PolarHBondContact O-N 2.84Å; G260-M263 PolarHBondContact O-N 3.16Å; G260-L264 WeakPolarHBondContact O-CB 3.24Å; G260-L264 VanDerWaalsContact O-CG 3.28Å; G260-L264 WeakPolarHBondContact O-CG 3.17Å; G260-L264 PolarHBondContact O-N 3.01Å
261F90.1Very high84.2Confident147 Ų14786.9 Ų86.965%0.64550%0.502SS*.Hα-helixtrans-68.4-40.6177.6-151-90.9000112.1F257 V258 L264 T265F257-F261 WeakPolarHBondContact O-CB 3.49Å; F257-F261 PolarHBondContact O-N 3.42Å; V258-F261 PolarHBondContact O-N 3.2Å; F261-L264 PolarHBondContact O-N 3.45Å; F261-T265 HydrophobicContact CD1-CG2 3.91Å; F261-T265 HydrophobicContact CE1-CG2 3.92Å; F261-T265 WeakPolarHBondContact O-CB 3.32Å; F261-T265 VanDerWaalsContact O-CG2 3.29Å; F261-T265 WeakPolarHBondContact O-CG2 3.08Å; F261-T265 PolarHBondContact O-N 3.26Å; F261-T265 PolarHBondContact O-OG1 3.47Å
262L90Very high83.3Confident92 Ų9285.6 Ų85.648%0.48250%0.5SS..Hα-helixtrans-61.6-42.1172.1-74.1170.1000111.7V258 L259 T265 L266V258-L262 HydrophobicContact CG1-CD1 3.98Å; V258-L262 WeakPolarHBondContact O-CB 3.23Å; V258-L262 VanDerWaalsContact O-CG 3.3Å; V258-L262 WeakPolarHBondContact O-CG 3.28Å; V258-L262 PolarHBondContact O-N 2.89Å; L259-L262 PolarHBondContact O-N 3.23Å; L262-T265 WeakPolarHBondContact CA-OG1 3.46Å; L262-T265 PolarHBondContact O-N 3.02Å; L262-T265 PolarHBondContact O-OG1 3.47Å; L262-L266 WeakPolarHBondContact O-CB 3.32Å; L262-L266 WeakPolarHBondContact O-CG 3.29Å; L262-L266 PolarHBondContact O-N 3.36Å
263M88.7Confident82.6Confident119 Ų11984.4 Ų84.459%0.58650%0.497SS*.Hα-helixtrans-66.6-40.7176.7-74.7-64.6-70.700112.4L259 G260 L266 C267L259-M263 WeakPolarHBondContact O-CB 3.35Å; L259-M263 VanDerWaalsContact O-CG 3.24Å; L259-M263 WeakPolarHBondContact O-CG 3.29Å; L259-M263 PolarHBondContact O-N 2.9Å; G260-M263 PolarHBondContact O-N 3.16Å; M263-L266 PolarHBondContact O-N 3.34Å; M263-C267 VanDerWaalsContact O-CB 3.32Å; M263-C267 WeakPolarHBondContact O-CB 3.46Å; M263-C267 PolarHBondContact O-N 3.23Å; M263-C267 PolarHBondContact O-SG 3.39Å
264L86.6Confident81.5Confident93 Ų9385.5 Ų85.549%0.48750%0.496SS..Hα-helixtrans-64.9-47.4175.8-73.2165.6000110.8G260 F261 L266 C267 F268G260-L264 WeakPolarHBondContact O-CB 3.24Å; G260-L264 VanDerWaalsContact O-CG 3.28Å; G260-L264 WeakPolarHBondContact O-CG 3.17Å; G260-L264 PolarHBondContact O-N 3.01Å; F261-L264 PolarHBondContact O-N 3.45Å; L264-L266 VanDerWaalsContact C-N 3.32Å; L264-L266 PolarHBondContact O-N 3.4Å; L264-C267 PolarHBondContact O-N 3.01Å; L264-F268 HydrophobicContact CB-CD2 4.17Å; L264-F268 HydrophobicContact CB-CE2 4.19Å; L264-F268 HydrophobicContact CD2-CD2 4.42Å; L264-F268 HydrophobicContact CD2-CE2 3.67Å; L264-F268 WeakPolarHBondContact O-CB 3.3Å; L264-F268 WeakPolarHBondContact O-CD2 3.42Å; L264-F268 PolarHBondContact O-N 2.85Å
265T85.2Confident80.1Confident71 Ų7186.7 Ų86.744%0.43650%0.497SS..Hα-helixtrans-62.1-37.6177.451.70000112.3F261 L262 G269F261-T265 HydrophobicContact CD1-CG2 3.91Å; F261-T265 HydrophobicContact CE1-CG2 3.92Å; F261-T265 WeakPolarHBondContact O-CB 3.32Å; F261-T265 VanDerWaalsContact O-CG2 3.29Å; F261-T265 WeakPolarHBondContact O-CG2 3.08Å; F261-T265 PolarHBondContact O-N 3.26Å; F261-T265 PolarHBondContact O-OG1 3.47Å; L262-T265 WeakPolarHBondContact CA-OG1 3.46Å; L262-T265 PolarHBondContact O-N 3.02Å; L262-T265 PolarHBondContact O-OG1 3.47Å; T265-G269 WeakPolarHBondContact O-CA 3.38Å; T265-G269 PolarHBondContact O-N 3.37Å
266L84.5Confident78.7Confident122 Ų12293.2 Ų93.264%0.63951%0.514SS*.Hα-helixtrans-66.7-41.1173.3-73170.2000112.4L262 M263 L264 G270L262-L266 WeakPolarHBondContact O-CB 3.32Å; L262-L266 WeakPolarHBondContact O-CG 3.29Å; L262-L266 PolarHBondContact O-N 3.36Å; M263-L266 PolarHBondContact O-N 3.34Å; L264-L266 VanDerWaalsContact C-N 3.32Å; L264-L266 PolarHBondContact O-N 3.4Å; L266-G270 PolarHBondContact O-N 3.36Å
267C84.8Confident77.3Confident71 Ų71100.6 Ų100.648%0.4853%0.528SS..Hα-helixtrans-68.7-45.6178.4-77.70000112.5M263 L264 A271M263-C267 VanDerWaalsContact O-CB 3.32Å; M263-C267 WeakPolarHBondContact O-CB 3.46Å; M263-C267 PolarHBondContact O-N 3.23Å; M263-C267 PolarHBondContact O-SG 3.39Å; L264-C267 PolarHBondContact O-N 3.01Å; C267-A271 WeakPolarHBondContact O-CB 3.24Å; C267-A271 PolarHBondContact O-N 2.85Å
268F77.9Confident75.5Confident145 Ų145101.5 Ų101.564%0.63653%0.527SS*.Hα-helixtrans-75-36.4178.6-70.7-65.6000112.5L264 A271 A272L264-F268 HydrophobicContact CB-CD2 4.17Å; L264-F268 HydrophobicContact CB-CE2 4.19Å; L264-F268 HydrophobicContact CD2-CD2 4.42Å; L264-F268 HydrophobicContact CD2-CE2 3.67Å; L264-F268 WeakPolarHBondContact O-CB 3.3Å; L264-F268 WeakPolarHBondContact O-CD2 3.42Å; L264-F268 PolarHBondContact O-N 2.85Å; F268-A271 PolarHBondContact O-N 3.35Å; F268-A272 WeakPolarHBondContact O-CB 3.22Å; F268-A272 PolarHBondContact O-N 3.23Å
269G69.5Low73.6Confident36 Ų36107.4 Ų107.437%0.37154%0.541SS..Hα-helixtrans-63.2-44.5172.600000112T265 A272 V273T265-G269 WeakPolarHBondContact O-CA 3.38Å; T265-G269 PolarHBondContact O-N 3.37Å; G269-A272 PolarHBondContact O-N 3.4Å; G269-V273 VanDerWaalsContact O-CG2 3.31Å; G269-V273 WeakPolarHBondContact O-CG2 3.32Å; G269-V273 PolarHBondContact O-N 2.89Å
270G66.5Low71.9Confident41 Ų41113.6 Ų113.642%0.42356%0.557SS.*Hα-helixtrans-63.2-42.3174.200000112.9L266 V273 H274L266-G270 PolarHBondContact O-N 3.36Å; G270-V273 PolarHBondContact O-N 2.88Å; G270-H274 VanDerWaalsContact O-CB 3.31Å; G270-H274 WeakPolarHBondContact O-CB 3.33Å; G270-H274 PolarHBondContact O-N 2.82Å
271A64.4Low70.1Confident55 Ų55122.6 Ų122.646%0.45558%0.583SS.*Hα-helixtrans-63.8-41.1175.200000112.1C267 F268 H274 H275C267-A271 WeakPolarHBondContact O-CB 3.24Å; C267-A271 PolarHBondContact O-N 2.85Å; F268-A271 PolarHBondContact O-N 3.35Å; A271-H274 PolarHBondContact O-N 2.89Å; A271-H275 VanDerWaalsContact O-CB 3.22Å; A271-H275 WeakPolarHBondContact O-CB 3.38Å; A271-H275 PolarHBondContact O-N 3.36Å
272A62.2Low67.9Low57 Ų57119.7 Ų119.747%0.47159%0.594SS.*Hα-helixtrans-66-40.3177.700000112.5F268 G269 R276F268-A272 WeakPolarHBondContact O-CB 3.22Å; F268-A272 PolarHBondContact O-N 3.23Å; G269-A272 PolarHBondContact O-N 3.4Å; A272-R276 PolarHBondContact O-N 2.88Å
273V66.7Low65.7Low85 Ų85119 Ų11952%0.51561%0.609SS.*Hα-helixtrans-68.4-41.6176.1173.20000111.2G269 G270 R276 R277G269-V273 VanDerWaalsContact O-CG2 3.31Å; G269-V273 WeakPolarHBondContact O-CG2 3.32Å; G269-V273 PolarHBondContact O-N 2.89Å; G270-V273 PolarHBondContact O-N 2.88Å; V273-R276 PolarHBondContact O-N 3.49Å; V273-R277 PolarHBondContact O-N 3.18Å
274H60.8Low63.4Low107 Ų107122.5 Ų122.550%0.49562%0.624SS.*Hα-helixtrans-66.7-38.6176.5-172.3-99.3000112G270 A271 R277 R278G270-H274 VanDerWaalsContact O-CB 3.31Å; G270-H274 WeakPolarHBondContact O-CB 3.33Å; G270-H274 PolarHBondContact O-N 2.82Å; A271-H274 PolarHBondContact O-N 2.89Å; H274-R277 PolarHBondContact O-N 2.82Å; H274-R278 PolarHBondContact CE1-NE 3.46Å; H274-R278 PolarHBondContact O-N 3.39Å
275H58.9Low61.2Low104 Ų104123.1 Ų123.148%0.48164%0.636SS.*Hα-helixtrans-69.3-37.1177.2-158.4-86.5000112.4A271 R278 R279A271-H275 VanDerWaalsContact O-CB 3.22Å; A271-H275 WeakPolarHBondContact O-CB 3.38Å; A271-H275 PolarHBondContact O-N 3.36Å; H275-R278 PolarHBondContact O-N 2.9Å; H275-R279 PolarHBondContact O-N 3.3Å
276R59.1Low59.1Low207 Ų207129.9 Ų129.978%0.78166%0.655SS**Hα-helixtrans-67-34.2172-91.5-176.7174.4164.1-0.6113.1A272 V273A272-R276 PolarHBondContact O-N 2.88Å; V273-R276 PolarHBondContact O-N 3.49Å
277R58.2Low56.9Low195 Ų195131.9 Ų131.974%0.73666%0.661SS**Hα-helixtrans-71.7-35.3174.3-80.7-176175.2179.7-0.6112.8V273 H274 R280V273-R277 PolarHBondContact O-N 3.18Å; H274-R277 PolarHBondContact O-N 2.82Å; R277-R280 PolarHBondContact O-N 2.89Å
278R53.7Low54.6Low177 Ų177133.1 Ų133.167%0.66867%0.671SS**Hα-helixtrans-67.9-34.5175.1-87.3-172.2174.6178-1.5113.4H274 H275 R280 R281H274-R278 PolarHBondContact CE1-NE 3.46Å; H274-R278 PolarHBondContact O-N 3.39Å; H275-R278 PolarHBondContact O-N 2.9Å; R278-R280 PolarHBondContact O-N 3.39Å; R278-R281 PolarHBondContact O-N 2.93Å
279R54.7Low53Low202 Ų202131.1 Ų131.176%0.76268%0.675SS**THydrogen-bonded Turntrans-67.5-16.5177.5-76.7-171178.1173.90.6115.1H275H275-R279 PolarHBondContact O-N 3.3Å
280R56.2Low51.7Low232 Ų232137.9 Ų137.988%0.87569%0.694SS**THydrogen-bonded Turntrans-88.2-8.7177-74.5-171.5178.2173.1-0.7114.2R277 R278R277-R280 PolarHBondContact O-N 2.89Å; R278-R280 PolarHBondContact O-N 3.39Å
281R54.2Low50.6Low217 Ų217141.3 Ų141.382%0.81971%0.712SS**SBendtrans-109.2100172-74.6-179.6175.2150.1-2.4107.2R278 G283R278-R281 PolarHBondContact O-N 2.93Å; R281-G283 PolarHBondContact O-N 3.42Å
282G43.5Very low49.6Very low86 Ų86144.2 Ų144.289%0.88772%0.724SS**  trans-52.1130.4173.800000110.2
283G42.9Very low48.8Very low76 Ų76144.7 Ų144.778%0.78473%0.728SS**  trans-168.5100.4-17600000110.5R281R281-G283 PolarHBondContact O-N 3.42Å
284H41.3Very low47.9Very low193 Ų193146 Ų14689%0.89473%0.731SS**  trans-58.5149170.8-110.2-107.5000112.1
285S40.6Very low47.3Very low107 Ų107145.2 Ų145.275%0.74874%0.737SS**  trans58.2108.8147.9-165.30000119.2
286Y40.8Very low46.7Very low212 Ų212143.8 Ų143.883%0.83174%0.739SS**  -175136.8114.471.1-84.7000112.3
287E37.9Very low46.2Very low164 Ų164142.9 Ų142.977%0.76674%0.736SS**  trans4141.7148.5-112.6150129.100123
288S37.6Very low45.6Very low98 Ų98136.5 Ų136.569%0.68573%0.725SS**  trans41.397.6136.870.50000118.2
289S43.5Very low45.5Very low103 Ų103131.2 Ų131.272%0.7272%0.715SS**  trans-168.55.2151-85.30000114.8S291S289-S291 PolarHBondContact O-N 2.87Å
290F41.4Very low45.3Very low177 Ų177125.9 Ų125.978%0.77671%0.705SS**THydrogen-bonded Turntrans-80-11.8-168.2-158-105.9000115.2I294F290-I294 HydrophobicContact CE1-CD1 4.11Å
291S45Very low45.1Very low114 Ų114121.9 Ų121.980%0.79769%0.694SS**THydrogen-bonded Turntrans-85.9-11.3-177.5-64.90000115.2S289S289-S291 PolarHBondContact O-N 2.87Å
292T43Very low44.9Very low115 Ų115115.2 Ų115.271%0.70668%0.68SS**SBendtrans-101.6-9.4-169.6-23.50000114.8
293A44.9Very low45.3Very low68 Ų68114.3 Ų114.356%0.56266%0.658SS**SBendtrans-94.9-14.5-178.900000114.5
294I48Very low45.8Very low113 Ų113113.3 Ų113.358%0.57964%0.642SS**SBendtrans-87.1-25.3179.1-65.1174000111F290F290-I294 HydrophobicContact CE1-CD1 4.11Å
295S47.3Very low46.4Very low89 Ų89108 Ų10862%0.62262%0.62SS**Hα-helixtrans-75.7-25.1-179.6-170.80000114.4
296S46.2Very low46.9Very low74 Ų74106.9 Ų106.952%0.51761%0.612SS.*Hα-helixtrans-85.1-16.3-176.762.60000114.1S299 T300S296-S299 PolarHBondContact O-OG 2.81Å; S296-T300 PolarHBondContact O-OG1 3.41Å
297R50Low47.5Very low189 Ų189105.7 Ų105.771%0.71361%0.606SS**Hα-helixtrans-100.3-20.3179.8-71.8-177.6158.8-165.7-5.9113.8T300R297-T300 PolarHBondContact O-OG1 3.35Å
298A46.2Very low48Very low61 Ų61101 Ų10150%0.50460%0.595SS.*Hα-helixtrans-72.6-30.8172.600000112.6S302A298-S302 PolarHBondContact O-N 2.88Å
299S50.6Low48.6Very low66 Ų66103.9 Ų103.946%0.46260%0.596SS.*Hα-helixtrans-73-30.2178.661.50000113.4S296 T303S296-S299 PolarHBondContact O-OG 2.81Å; S299-T303 PolarHBondContact O-N 2.86Å; S299-T303 PolarHBondContact O-OG1 3.43Å
300T50.9Low48.5Very low90 Ų90102.2 Ų102.255%0.55260%0.595SS**Hα-helixtrans-76-32.3177.523.90000112.2S296 R297 A304S296-T300 PolarHBondContact O-OG1 3.41Å; R297-T300 PolarHBondContact O-OG1 3.35Å; T300-A304 PolarHBondContact O-N 3.29Å
301F50.9Low48.5Very low148 Ų148104.2 Ų104.265%0.64960%0.597SS**Hα-helixtrans-73.9-38.9177.3-149.4-98.5000112.3A304 I305F301-A304 PolarHBondContact O-N 3Å; F301-I305 HydrophobicContact CD1-CD1 3.76Å; F301-I305 HydrophobicContact CE1-CD1 3.79Å; F301-I305 WeakPolarHBondContact O-CG1 3.34Å; F301-I305 PolarHBondContact O-N 2.94Å
302S51.7Low48.3Very low76 Ų76104 Ų10453%0.53158%0.584SS.*Hα-helixtrans-64.5-42.4173.9-71.30000112A298 A304 I305 S306A298-S302 PolarHBondContact O-N 2.88Å; S302-A304 VanDerWaalsContact C-N 3.31Å; S302-A304 PolarHBondContact O-N 2.89Å; S302-I305 PolarHBondContact O-N 2.92Å; S302-S306 PolarHBondContact O-N 2.95Å; S302-S306 PolarHBondContact O-OG 3.34Å
303T51.1Low48.2Very low67 Ų67106 Ų10641%0.41158%0.584SS.*Hα-helixtrans-67.3-29.9179.1-43.20000112.9S299 R307S299-T303 PolarHBondContact O-N 2.86Å; S299-T303 PolarHBondContact O-OG1 3.43Å; T303-R307 WeakPolarHBondContact O-CB 3.31Å; T303-R307 VanDerWaalsContact O-CG 3.32Å; T303-R307 WeakPolarHBondContact O-CG 3.31Å; T303-R307 PolarHBondContact O-N 3.38Å; T303-R307 VanDerWaalsContact O-N 3.14Å
304A52.8Low47.7Very low56 Ų56108.5 Ų108.546%0.46359%0.593SS.*Hα-helixtrans-72.5-38.9176.300000112.5T300 F301 S302 R307 A308T300-A304 PolarHBondContact O-N 3.29Å; F301-A304 PolarHBondContact O-N 3Å; S302-A304 VanDerWaalsContact C-N 3.31Å; S302-A304 PolarHBondContact O-N 2.89Å; A304-R307 PolarHBondContact O-N 3.25Å; A304-A308 WeakPolarHBondContact O-CB 3.45Å; A304-A308 PolarHBondContact O-N 2.99Å
305I54.3Low47.3Very low82 Ų82110.1 Ų110.142%0.42161%0.608SS.*Hα-helixtrans-68.4-42.4175.6-65.6171.9000110.1F301 S302 R307 A308 F309F301-I305 HydrophobicContact CD1-CD1 3.76Å; F301-I305 HydrophobicContact CE1-CD1 3.79Å; F301-I305 WeakPolarHBondContact O-CG1 3.34Å; F301-I305 PolarHBondContact O-N 2.94Å; S302-I305 PolarHBondContact O-N 2.92Å; I305-R307 VanDerWaalsContact C-N 3.3Å; I305-R307 PolarHBondContact O-N 3.46Å; I305-A308 PolarHBondContact O-N 3.22Å; I305-F309 HydrophobicContact CG2-CD2 3.79Å; I305-F309 HydrophobicContact CG2-CE2 4.09Å; I305-F309 WeakPolarHBondContact O-CD2 3.21Å; I305-F309 PolarHBondContact O-N 3.44Å
306S51.4Low46.6Very low82 Ų82114.7 Ų114.757%0.57362%0.617SS**Hα-helixtrans-64-32.3176.2-54.90000113.3S302 G310S302-S306 PolarHBondContact O-N 2.95Å; S302-S306 PolarHBondContact O-OG 3.34Å; S306-G310 WeakPolarHBondContact O-CA 3.38Å; S306-G310 PolarHBondContact O-N 3.01Å
307R52.2Low46.1Very low188 Ų188115.5 Ų115.571%0.70963%0.628SS**Hα-helixtrans-79-26.3174.8-74.2177179.5172.11113.7T303 A304 I305T303-R307 WeakPolarHBondContact O-CB 3.31Å; T303-R307 VanDerWaalsContact O-CG 3.32Å; T303-R307 WeakPolarHBondContact O-CG 3.31Å; T303-R307 PolarHBondContact O-N 3.38Å; T303-R307 VanDerWaalsContact O-N 3.14Å; A304-R307 PolarHBondContact O-N 3.25Å; I305-R307 VanDerWaalsContact C-N 3.3Å; I305-R307 PolarHBondContact O-N 3.46Å
308A49Very low45.5Very low66 Ų66116.4 Ų116.455%0.54564%0.637SS.*Hα-helixtrans-78.5-38176.400000112.1A304 I305A304-A308 WeakPolarHBondContact O-CB 3.45Å; A304-A308 PolarHBondContact O-N 2.99Å; I305-A308 PolarHBondContact O-N 3.22Å
309F51.3Low44.8Very low158 Ų158120.4 Ų120.469%0.69366%0.656SS**Hα-helixtrans-86-26176.9-79.1-86.8000113.5I305 R311I305-F309 HydrophobicContact CG2-CD2 3.79Å; I305-F309 HydrophobicContact CG2-CE2 4.09Å; I305-F309 WeakPolarHBondContact O-CD2 3.21Å; I305-F309 PolarHBondContact O-N 3.44Å; F309-R311 PolarHBondContact O-N 2.93Å
310G40.9Very low44.3Very low68 Ų68121.8 Ų121.870%0.70167%0.671SS**THydrogen-bonded Turntrans-76.22.9177.100000115.9S306S306-G310 WeakPolarHBondContact O-CA 3.38Å; S306-G310 PolarHBondContact O-N 3.01Å
311R40.4Very low43.7Very low219 Ų219125 Ų12583%0.82669%0.685SS**THydrogen-bonded Turntrans-106.91.7-178.4-123176.4-175170.90.9114.4F309F309-R311 PolarHBondContact O-N 2.93Å
312Q41.6Very low43.3Very low110 Ų110125 Ų12551%0.51470%0.697SS.*SBendtrans-104.565.2176.8-76.5-171.3-33.500111.4
313Q41.2Very low42.6Very low155 Ų155132.7 Ų132.772%0.72471%0.714SS**  trans-172.563.8156.3-106.7172.89.500110.3
314T34.9Very low41.9Very low122 Ų122134.1 Ų134.175%0.74873%0.727SS**  trans-136.882.5156.2580000107.5K316T314-K316 PolarHBondContact O-N 3.01Å
315V39.2Very low41.1Very low147 Ų147139.7 Ų139.789%0.89175%0.748SS**  trans-70.992162.6178.80000105.7A317V315-A317 PolarHBondContact O-N 3.44Å; V315-A317 VanDerWaalsContact O-N 3.08Å
316K32.8Very low40.2Very low185 Ų185139.7 Ų139.780%0.80476%0.76SS**  trans-60.7109165.1-81.4-177.4173.7-179.50107.3T314 K318T314-K316 PolarHBondContact O-N 3.01Å; K316-K318 PolarHBondContact O-N 3.37Å
317A35.8Very low39.5Very low91 Ų91145.9 Ų145.975%0.75278%0.777SS**  trans-54.8119.2163.700000108.1V315 T319V315-A317 PolarHBondContact O-N 3.44Å; V315-A317 VanDerWaalsContact O-N 3.08Å; A317-T319 PolarHBondContact O-N 3.48Å; A317-T319 VanDerWaalsContact O-N 3.14Å
318K36Very low38.8Very low207 Ų207140.4 Ų140.490%0.978%0.778SS**  trans-64.8108.8173.3-87177.6170.9177.80108.5K316 A320K316-K318 PolarHBondContact O-N 3.37Å; K318-A320 PolarHBondContact O-N 3.06Å
319T32.1Very low38.3Very low146 Ų146142.7 Ų142.790%0.89679%0.79SS**  trans-61.7120.3155.74.20000108.2A317A317-T319 PolarHBondContact O-N 3.48Å; A317-T319 VanDerWaalsContact O-N 3.14Å
320A40.7Very low37.7Very low94 Ų94140.2 Ų140.278%0.77779%0.793SS**  trans-112.2122165.100000108K318K318-A320 PolarHBondContact O-N 3.06Å
321D37.2Very low37.7Very low158 Ų158147 Ų14785%0.84580%0.803SS**  trans-55137.7175.4-75.1-59.6000113.2
322T43.5Very low37.6Very low148 Ų148141.1 Ų141.191%0.90880%0.801SS**  trans-153110130.423.30000111.6
323R35.5Very low37.6Very low238 Ų238143.3 Ų143.390%0.89882%0.822SS**  trans-17138156.5-98173.2171.4165.9-2.8118.8
324S36.3Very low37.5Very low97 Ų97138.9 Ų138.968%0.67882%0.818SS**  77.9107.3121.2-169.70000119.1
325L37.2Very low37.8Very low172 Ų172141 Ų14190%0.90182%0.823SS**  179.4142.6107.1-96151.2000111
326A35.7Very low38.1Very low82 Ų82139.8 Ų139.868%0.67882%0.821SS**  trans-91.7169.1-16900000113.5
327K36.9Very low38.2Very low213 Ų213140.4 Ų140.493%0.92682%0.824SS**  trans90.7133.8150.5-67.1174.9171.9178.60119.2
328G36.6Very low38.7Very low72 Ų72143.5 Ų143.574%0.74283%0.833SS**  trans123.580.9151.400000113
329S38Very low39.5Very low114 Ų114140.7 Ų140.780%0.79786%0.863SS**  76107.889.4-162.10000114.7
330S39.9Very low39.9Very low107 Ų107140.5 Ų140.575%0.74886%0.861SS**  trans38.3122.6136.1-55.80000120.5
331K40.8Very low39.9Very low211 Ų211142.9 Ų142.992%0.91787%0.866SS**  179.9138.1108.9-99.2171.1179.81800112.8
332A38Very low40Very low95 Ų95142.1 Ų142.179%0.78587%0.867SS**  trans-76.9150.5169.200000112.3
333V40.9Very low39.8Very low155 Ų155141.7 Ų141.794%0.93986%0.864SS**  trans-174.1139.9150169.40000103.9
334G39.4Very low40.1Very low62 Ų62135.7 Ų135.764%0.63986%0.862SS**  cis158.6126.29.500000107.4
335I40.5Very low40.3Very low166 Ų166138.3 Ų138.385%0.85187%0.874SS**  trans11.4132.7151.9-56.8165.5000119.1
336S46.2Very low40.6Very low123 Ų123135.9 Ų135.986%0.8687%0.873SS**  -166.5122.7125.2-87.30000114.3
337K35.3Very low40.9Very low198 Ų198140 Ų14086%0.86189%0.888SS**  trans-84135.2154.2-106.9-178.8172.6179.50107.6
338V46.3Very low41.3Very low156 Ų156133.9 Ų133.995%0.94588%0.884SS**  trans-163.9133.2136.2178.70000107.5
339G53.5Low41.7Very low148 Ų148139.5 Ų139.5100%1.52690%0.897SS**  trans155.80176.900000109.8

Retrieved 339 of 339 residues in 290.4 ms (Link to these results)