A0A3Q0KS79_SCHMA Loading...

Methyltransf_FA domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KS79, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 231 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
1M27.1Very low47.9Very low244 Ų244116.5 Ų116.5100%1.20261%0.609SS**  099.10-69.7177.6-149.200107.9R3M1-R3 PolarHBondContact O-N 3.24Å
2V24.9Very low51.3Low140 Ų140118.7 Ų118.785%0.84860%0.603SS**  trans-82.9103.6171.7179.60000106N4V2-N4 PolarHBondContact O-N 3.03Å
3R25.7Very low53.8Low236 Ų236111.4 Ų111.489%0.89157%0.568SS**  trans-62.1113169.3-148.8179.5-155.9-157.34105.4M1 D5M1-R3 PolarHBondContact O-N 3.24Å; R3-D5 VanDerWaalsContact C-N 3.32Å; R3-D5 PolarHBondContact O-N 3.06Å
4N37.1Very low55.9Low140 Ų140108.6 Ų108.675%0.74955%0.554SS**  trans-55.699.7172.1-89.4-19.8000107.4V2 P6V2-N4 PolarHBondContact O-N 3.03Å; N4-P6 WeakPolarHBondContact O-CD 3.25Å
5D37.2Very low57.6Low74 Ų74106.3 Ų106.340%0.39654%0.54SS..  trans-74.7108.5166.8178.9-5.3000106.3R3 N7 T8R3-D5 VanDerWaalsContact C-N 3.32Å; R3-D5 PolarHBondContact O-N 3.06Å; D5-N7 PolarHBondContact O-N 2.83Å; D5-N7 VanDerWaalsContact O-N 3.08Å; D5-N7 WeakPolarHBondContact OD1-CB 3.15Å; D5-N7 PolarHBondContact OD1-N 3.02Å; D5-T8 HydrophobicContact CB-CG2 3.81Å; D5-T8 PolarHBondContact O-N 3.48Å; D5-T8 PolarHBondContact O-OG1 3.16Å; D5-T8 WeakPolarHBondContact OD2-CG2 3.33Å
6P44.4Very low58.9Low110 Ų11099.8 Ų99.871%0.71451%0.507SS*.THydrogen-bonded Turntrans-60.4-18.5-179.125.8-33.6000112.3N4 T8N4-P6 WeakPolarHBondContact O-CD 3.25Å; P6-T8 VanDerWaalsContact C-N 3.31Å
7N49Very low60.1Low145 Ų14597.6 Ų97.678%0.77549%0.494SS*.THydrogen-bonded Turntrans-80.4-10.3175.4-67.2-28.2000113.7D5D5-N7 PolarHBondContact O-N 2.83Å; D5-N7 VanDerWaalsContact O-N 3.08Å; D5-N7 WeakPolarHBondContact OD1-CB 3.15Å; D5-N7 PolarHBondContact OD1-N 3.02Å
8T51.5Low61.1Low82 Ų8298.1 Ų98.150%0.50350%0.503SS..THydrogen-bonded Turntrans-101.3-30.9-177.463.60000113.5D5 P6 T10D5-T8 HydrophobicContact CB-CG2 3.81Å; D5-T8 PolarHBondContact O-N 3.48Å; D5-T8 PolarHBondContact O-OG1 3.16Å; D5-T8 WeakPolarHBondContact OD2-CG2 3.33Å; P6-T8 VanDerWaalsContact C-N 3.31Å; T8-T10 PolarHBondContact O-N 3.13Å
9N62.1Low62.2Low61 Ų6196.6 Ų96.633%0.32651%0.507SS..  trans-84.8101-179.1-162.13.8000110.1F11 Q90N9-F11 PolarHBondContact OD1-N 3.04Å; N9-Q90 PolarHBondContact ND2-O 3.2Å
10T77.9Confident63.5Low44 Ų4492.1 Ų92.127%0.2748%0.484SS..  trans-95.1-2.1-179.644.10000112.1T8 R12 W25 K26T8-T10 PolarHBondContact O-N 3.13Å; T10-R12 PolarHBondContact O-N 3.44Å; T10-W25 WeakPolarHBondContact O-CA 3.28Å; T10-K26 HydrophobicContact CG2-CB 3.95Å; T10-K26 WeakPolarHBondContact OG1-CA 3.5Å; T10-K26 WeakPolarHBondContact OG1-CB 3.45Å; T10-K26 PolarHBondContact OG1-N 2.84Å
11F90.2Very high64.5Low6 Ų687.7 Ų87.73%0.02646%0.461CS..  trans-75.7109177.3-175-132.7000109.8N9 F23 E24 W25 L38 A74 Y89 M91N9-F11 PolarHBondContact OD1-N 3.04Å; F11-F23 HydrophobicContact CD2-CB 4.27Å; F11-F23 HydrophobicContact CD2-CD1 4.38Å; F11-F23 HydrophobicContact CE1-CD1 4.42Å; F11-F23 HydrophobicContact CE2-CB 3.55Å; F11-F23 AromaticContact CE2-CD1 3.49Å; F11-F23 HydrophobicContact CE2-CD1 3.49Å; F11-F23 VanDerWaalsContact CE2-CD1 3.49Å; F11-F23 HydrophobicContact CE2-CE1 4.39Å; F11-F23 AromaticContact CE2-CG 3.73Å; F11-F23 HydrophobicContact CE2-CG 3.73Å; F11-F23 HydrophobicContact CZ-CB 4.36Å; F11-F23 AromaticContact CZ-CD1 3.51Å; F11-F23 HydrophobicContact CZ-CD1 3.51Å; F11-F23 AromaticContact CZ-CE1 3.96Å; F11-F23 HydrophobicContact CZ-CE1 3.96Å; F11-F23 HydrophobicContact CZ-CG 4.05Å; F11-E24 VanDerWaalsContact CA-O 3.26Å; F11-E24 WeakPolarHBondContact CA-O 3.41Å; F11-W25 HydrophobicContact CB-CB 4.43Å; F11-W25 HydrophobicContact CD2-CB 4.16Å; F11-W25 HydrophobicContact CD2-CE3 4.34Å; F11-W25 HydrophobicContact CE2-CE3 4.34Å; F11-L38 HydrophobicContact CE2-CD2 3.68Å; F11-L38 HydrophobicContact CZ-CD2 4Å; F11-A74 HydrophobicContact CD2-CB 3.82Å; F11-A74 HydrophobicContact CE1-CB 4.43Å; F11-A74 HydrophobicContact CE2-CB 3.72Å; F11-A74 HydrophobicContact CG-CB 4.23Å; F11-A74 HydrophobicContact CZ-CB 4.05Å; F11-Y89 HydrophobicContact CB-CG 4.28Å; F11-M91 HydrophobicContact CD1-CB 3.82Å; F11-M91 HydrophobicContact CD1-CG 3.58Å; F11-M91 HydrophobicContact CD1-SD 3.75Å; F11-M91 HydrophobicContact CE1-CB 4.22Å; F11-M91 HydrophobicContact CE1-CG 3.5Å; F11-M91 VanDerWaalsContact CE1-CG 3.5Å; F11-M91 HydrophobicContact CE1-SD 3.69Å; F11-M91 HydrophobicContact CG-SD 4.22Å; F11-M91 HydrophobicContact CZ-CG 4.41Å; F11-M91 HydrophobicContact CZ-SD 4.12Å
12R88.5Confident67.5Low142 Ų14276.5 Ų76.554%0.53641%0.407SS..EExtended strand (participates in β ladder)trans-144.1152.8-174.764.2-176.7176.4-174.2-0.7111.6T10 I14 F23 E24T10-R12 PolarHBondContact O-N 3.44Å; R12-I14 HydrophobicContact CG-CG2 4.18Å; R12-F23 CarbonylContact O-C 3.32Å; R12-F23 VanDerWaalsContact O-CA 3.3Å; R12-F23 WeakPolarHBondContact O-CA 3.08Å; R12-E24 HydrophobicContact CG-CB 4.41Å; R12-E24 IonicContact CZ-OE2 2.63Å; R12-E24 VanDerWaalsContact CZ-OE2 3.23Å; R12-E24 PolarHBondContact N-O 2.85Å; R12-E24 IonicContact NE-OE2 2.63Å; R12-E24 PolarHBondContact NE-OE2 2.71Å; R12-E24 IonicContact NH2-OE2 3.94Å; R12-E24 PolarHBondContact NH2-OE2 2.73Å; R12-E24 PolarHBondContact O-N 3.1Å
13V84.3Confident70.6Confident24 Ų2469.9 Ų69.915%0.14537%0.367CS..EExtended strand (participates in β ladder)trans-72.9130.2166.2179.10000107.8E16 M21 F23 M91 Y93 L179V13-E16 HydrophobicContact CG1-CG 4.43Å; V13-M21 HydrophobicContact CG1-SD 4.35Å; V13-M21 HydrophobicContact CG2-SD 4.24Å; V13-F23 HydrophobicContact CG2-CD1 4Å; V13-F23 HydrophobicContact CG2-CE1 3.68Å; V13-F23 HydrophobicContact CG2-CZ 4.41Å; V13-M91 HydrophobicContact CG2-CE 4.23Å; V13-M91 HydrophobicContact CG2-SD 4.21Å; V13-Y93 HydrophobicContact CB-CD2 4.37Å; V13-Y93 HydrophobicContact CB-CE2 4.01Å; V13-Y93 HydrophobicContact CG1-CE2 4.45Å; V13-Y93 HydrophobicContact CG2-CD2 3.73Å; V13-Y93 HydrophobicContact CG2-CE2 3.82Å; V13-Y93 HydrophobicContact CG2-CG 4.09Å; V13-L179 HydrophobicContact CG1-CD1 4.31Å
14I83.5Confident73.7Confident73 Ų7360.9 Ų60.937%0.37434%0.335SS..EExtended strand (participates in β ladder)trans-109.2-21.4175.258.3167.2000112.3R12 A22 E24 I57R12-I14 HydrophobicContact CG-CG2 4.18Å; I14-A22 HydrophobicContact CD1-CB 4.26Å; I14-A22 HydrophobicContact CG1-CB 3.85Å; I14-A22 WeakPolarHBondContact CG1-O 3.37Å; I14-A22 PolarHBondContact N-O 2.79Å; I14-E24 HydrophobicContact CD1-CB 4.38Å; I14-E24 HydrophobicContact CG2-CB 3.51Å; I14-I57 HydrophobicContact CD1-CD1 4.24Å; I14-I57 HydrophobicContact CD1-CG1 4.38Å; I14-I57 HydrophobicContact CD1-CG2 3.88Å
15Q81.2Confident76.3Confident73 Ų7354.2 Ų54.234%0.34130%0.3SS..EExtended strand (participates in β ladder)trans-158138.4178.8-169.8177.620.200110.8A22Q15-A22 HydrophobicContact CB-CB 3.99Å; Q15-A22 PolarHBondContact N-O 2.86Å; Q15-A22 PolarHBondContact O-N 3.12Å
16E78.1Confident78.8Confident2 Ų257 Ų571%0.00931%0.308CS..EExtended strand (participates in β ladder)trans-99.6139.2164.1-79.7-175.5-14300110.7V13 M21 Y93 R98 L179V13-E16 HydrophobicContact CG1-CG 4.43Å; E16-M21 HydrophobicContact CG-CG 4.1Å; E16-M21 HydrophobicContact CG-SD 3.98Å; E16-Y93 WeakPolarHBondContact OE1-CE1 3.4Å; E16-Y93 VanDerWaalsContact OE1-CZ 3.3Å; E16-Y93 PolarHBondContact OE1-OH 3.19Å; E16-R98 IonicContact OE2-CZ 2.79Å; E16-R98 IonicContact OE2-NE 3.15Å; E16-R98 PolarHBondContact OE2-NE 2.83Å; E16-R98 IonicContact OE2-NH2 3.59Å; E16-R98 PolarHBondContact OE2-NH2 2.49Å; E16-L179 HydrophobicContact CB-CB 3.89Å; E16-L179 HydrophobicContact CB-CD1 4.06Å; E16-L179 HydrophobicContact CG-CB 4.21Å; E16-L179 HydrophobicContact CG-CD1 3.85Å
17Q79.7Confident80.9Confident63 Ų6358.3 Ų58.329%0.29430%0.304SS..  trans-119173168.6-54.9-177.811.200109.2A19 A20 R98Q17-A19 VanDerWaalsContact C-N 3.29Å; Q17-A19 PolarHBondContact O-N 2.75Å; Q17-A20 WeakPolarHBondContact CA-O 3.24Å; Q17-A20 HydrophobicContact CB-CB 4.3Å; Q17-A20 WeakPolarHBondContact CB-O 3.34Å; Q17-A20 PolarHBondContact N-O 3.08Å; Q17-R98 PolarHBondContact O-NH1 2.82Å; Q17-R98 PolarHBondContact O-NH2 2.98Å
18T76.8Confident82.8Confident107 Ų10751.7 Ų51.766%0.65627%0.269SS*.SBendtrans-50-49.7-178.5-50.60000112.2R98 T181T18-R98 PolarHBondContact O-NH1 3.23Å; T18-T181 WeakPolarHBondContact OG1-CG2 3.26Å
19A83.4Confident84.5Confident70 Ų7052.8 Ų52.858%0.57928%0.276SS*.SBendtrans-126.911.8-176.800000114Q17 E61Q17-A19 VanDerWaalsContact C-N 3.29Å; Q17-A19 PolarHBondContact O-N 2.75Å; A19-E61 CarbonylContact O-C 3.55Å; A19-E61 VanDerWaalsContact O-C 3.32Å; A19-E61 WeakPolarHBondContact O-CA 3.24Å
20A86.8Confident85.8Confident6 Ų653.9 Ų53.95%0.0528%0.279CS..  trans-142.9157.2-179.100000112Q17 L59 L60 E61 V63Q17-A20 WeakPolarHBondContact CA-O 3.24Å; Q17-A20 HydrophobicContact CB-CB 4.3Å; Q17-A20 WeakPolarHBondContact CB-O 3.34Å; Q17-A20 PolarHBondContact N-O 3.08Å; A20-L59 HydrophobicContact CB-CD1 3.77Å; A20-L59 HydrophobicContact CB-CD2 4.29Å; A20-L59 HydrophobicContact CB-CG 3.97Å; A20-L60 CarbonylContact C-O 3.48Å; A20-L60 VanDerWaalsContact CA-O 3.24Å; A20-L60 WeakPolarHBondContact CA-O 3.31Å; A20-L60 WeakPolarHBondContact CB-O 3.33Å; A20-E61 HydrophobicContact CB-CG 4.35Å; A20-V63 VanDerWaalsContact N-CG2 3.31Å
21M85.5Confident86.4Confident0 Ų062.1 Ų62.10%031%0.311CS..EExtended strand (participates in β ladder)trans-124.4136.3169.9-69.2-162.2-66.700110.5V13 E16 F23 L60 V63 Y72 Y93V13-M21 HydrophobicContact CG1-SD 4.35Å; V13-M21 HydrophobicContact CG2-SD 4.24Å; E16-M21 HydrophobicContact CG-CG 4.1Å; E16-M21 HydrophobicContact CG-SD 3.98Å; M21-F23 HydrophobicContact CB-CD2 4.38Å; M21-F23 HydrophobicContact CB-CE2 3.58Å; M21-F23 HydrophobicContact CB-CZ 3.82Å; M21-F23 HydrophobicContact CE-CZ 3.81Å; M21-F23 WeakPolarHBondContact O-CD2 3.27Å; M21-F23 VanDerWaalsContact O-CE2 3.32Å; M21-F23 WeakPolarHBondContact O-CE2 3.46Å; M21-L60 PolarHBondContact N-O 2.8Å; M21-L60 PolarHBondContact O-N 2.87Å; M21-V63 HydrophobicContact CG-CG1 4.22Å; M21-V63 HydrophobicContact CG-CG2 4.11Å; M21-V63 HydrophobicContact SD-CG1 4.25Å; M21-Y72 HydrophobicContact CE-CD1 4.4Å; M21-Y72 HydrophobicContact CE-CD2 4.45Å; M21-Y72 HydrophobicContact CE-CE1 3.5Å; M21-Y72 VanDerWaalsContact CE-CE1 3.5Å; M21-Y72 HydrophobicContact CE-CE2 3.61Å; M21-Y72 WeakPolarHBondContact CE-OH 3.48Å; M21-Y93 HydrophobicContact CE-CD1 4.31Å; M21-Y93 HydrophobicContact SD-CD1 4.02Å; M21-Y93 HydrophobicContact SD-CE1 3.86Å
22A89Confident86.5Confident8 Ų865 Ų657%0.06633%0.331CS..EExtended strand (participates in β ladder)trans-94.6132.8172.300000109.3I14 Q15 G58 L59I14-A22 HydrophobicContact CD1-CB 4.26Å; I14-A22 HydrophobicContact CG1-CB 3.85Å; I14-A22 WeakPolarHBondContact CG1-O 3.37Å; I14-A22 PolarHBondContact N-O 2.79Å; Q15-A22 HydrophobicContact CB-CB 3.99Å; Q15-A22 PolarHBondContact N-O 2.86Å; Q15-A22 PolarHBondContact O-N 3.12Å; A22-G58 CarbonylContact C-O 3.55Å; A22-G58 WeakPolarHBondContact CA-O 3.24Å; A22-L59 HydrophobicContact CB-CD1 4.06Å
23F90Very high86.6Confident1 Ų161.4 Ų61.40%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-118.3149.3-179.4-59.7-97000110.1F11 R12 V13 M21 W25 L38 I57 G58 L60 Y72 M91F11-F23 HydrophobicContact CD2-CB 4.27Å; F11-F23 HydrophobicContact CD2-CD1 4.38Å; F11-F23 HydrophobicContact CE1-CD1 4.42Å; F11-F23 HydrophobicContact CE2-CB 3.55Å; F11-F23 AromaticContact CE2-CD1 3.49Å; F11-F23 HydrophobicContact CE2-CD1 3.49Å; F11-F23 VanDerWaalsContact CE2-CD1 3.49Å; F11-F23 HydrophobicContact CE2-CE1 4.39Å; F11-F23 AromaticContact CE2-CG 3.73Å; F11-F23 HydrophobicContact CE2-CG 3.73Å; F11-F23 HydrophobicContact CZ-CB 4.36Å; F11-F23 AromaticContact CZ-CD1 3.51Å; F11-F23 HydrophobicContact CZ-CD1 3.51Å; F11-F23 AromaticContact CZ-CE1 3.96Å; F11-F23 HydrophobicContact CZ-CE1 3.96Å; F11-F23 HydrophobicContact CZ-CG 4.05Å; R12-F23 CarbonylContact O-C 3.32Å; R12-F23 VanDerWaalsContact O-CA 3.3Å; R12-F23 WeakPolarHBondContact O-CA 3.08Å; V13-F23 HydrophobicContact CG2-CD1 4Å; V13-F23 HydrophobicContact CG2-CE1 3.68Å; V13-F23 HydrophobicContact CG2-CZ 4.41Å; M21-F23 HydrophobicContact CB-CD2 4.38Å; M21-F23 HydrophobicContact CB-CE2 3.58Å; M21-F23 HydrophobicContact CB-CZ 3.82Å; M21-F23 HydrophobicContact CE-CZ 3.81Å; M21-F23 WeakPolarHBondContact O-CD2 3.27Å; M21-F23 VanDerWaalsContact O-CE2 3.32Å; M21-F23 WeakPolarHBondContact O-CE2 3.46Å; F23-W25 HydrophobicContact CB-CE3 4.33Å; F23-W25 HydrophobicContact CB-CZ3 4.23Å; F23-L38 HydrophobicContact CB-CD1 4.35Å; F23-L38 HydrophobicContact CB-CD2 4.34Å; F23-L38 HydrophobicContact CD2-CD1 3.94Å; F23-L38 HydrophobicContact CG-CD1 4.47Å; F23-I57 CarbonylContact O-C 3.59Å; F23-I57 WeakPolarHBondContact O-CA 3.29Å; F23-I57 WeakPolarHBondContact O-CG2 3.49Å; F23-G58 PolarHBondContact N-O 2.94Å; F23-G58 PolarHBondContact O-N 2.86Å; F23-L60 HydrophobicContact CD2-CB 4.42Å; F23-L60 HydrophobicContact CE2-CB 3.9Å; F23-L60 HydrophobicContact CE2-CD2 4.38Å; F23-Y72 AromaticContact CE1-CD1 3.95Å; F23-Y72 HydrophobicContact CE1-CD1 3.95Å; F23-Y72 HydrophobicContact CE1-CD2 4.36Å; F23-Y72 AromaticContact CE1-CG 3.84Å; F23-Y72 HydrophobicContact CE1-CG 3.84Å; F23-Y72 HydrophobicContact CE2-CD1 4.38Å; F23-Y72 AromaticContact CZ-CD1 3.43Å; F23-Y72 HydrophobicContact CZ-CD1 3.43Å; F23-Y72 VanDerWaalsContact CZ-CD1 3.43Å; F23-Y72 HydrophobicContact CZ-CD2 4.46Å; F23-Y72 AromaticContact CZ-CE1 3.78Å; F23-Y72 HydrophobicContact CZ-CE1 3.78Å; F23-Y72 AromaticContact CZ-CG 3.82Å; F23-Y72 HydrophobicContact CZ-CG 3.82Å; F23-M91 HydrophobicContact CD1-SD 3.87Å; F23-M91 HydrophobicContact CE1-SD 3.84Å
24E91.5Very high87Confident47 Ų4760.9 Ų60.922%0.2232%0.319CS..EExtended strand (participates in β ladder)trans-119.1147.3166.7-179.6-177.3-142.100108.7F11 R12 I14 N56 I57F11-E24 VanDerWaalsContact CA-O 3.26Å; F11-E24 WeakPolarHBondContact CA-O 3.41Å; R12-E24 HydrophobicContact CG-CB 4.41Å; R12-E24 IonicContact CZ-OE2 2.63Å; R12-E24 VanDerWaalsContact CZ-OE2 3.23Å; R12-E24 PolarHBondContact N-O 2.85Å; R12-E24 IonicContact NE-OE2 2.63Å; R12-E24 PolarHBondContact NE-OE2 2.71Å; R12-E24 IonicContact NH2-OE2 3.94Å; R12-E24 PolarHBondContact NH2-OE2 2.73Å; R12-E24 PolarHBondContact O-N 3.1Å; I14-E24 HydrophobicContact CD1-CB 4.38Å; I14-E24 HydrophobicContact CG2-CB 3.51Å; E24-N56 CarbonylContact C-O 3.6Å; E24-N56 WeakPolarHBondContact CA-O 3.37Å; E24-I57 HydrophobicContact CB-CG1 4.27Å; E24-I57 HydrophobicContact CG-CG1 4.21Å
25W91.2Very high87.5Confident1 Ų158.5 Ų58.50%0.00431%0.305CS..  trans-141.2167169.155.396.7000110.3T10 F11 F23 M28 V36 L38 V52 N56 G58 A74 Y89T10-W25 WeakPolarHBondContact O-CA 3.28Å; F11-W25 HydrophobicContact CB-CB 4.43Å; F11-W25 HydrophobicContact CD2-CB 4.16Å; F11-W25 HydrophobicContact CD2-CE3 4.34Å; F11-W25 HydrophobicContact CE2-CE3 4.34Å; F23-W25 HydrophobicContact CB-CE3 4.33Å; F23-W25 HydrophobicContact CB-CZ3 4.23Å; W25-M28 HydrophobicContact CG-CE 4.49Å; W25-V36 HydrophobicContact CZ2-CB 4Å; W25-V36 HydrophobicContact CZ2-CG1 3.93Å; W25-V36 HydrophobicContact CZ2-CG2 4.21Å; W25-L38 HydrophobicContact CE3-CD2 4.05Å; W25-L38 HydrophobicContact CH2-CD1 4.26Å; W25-L38 HydrophobicContact CH2-CD2 4.13Å; W25-L38 HydrophobicContact CH2-CG 4.25Å; W25-L38 HydrophobicContact CZ3-CD1 3.98Å; W25-L38 HydrophobicContact CZ3-CD2 3.62Å; W25-L38 HydrophobicContact CZ3-CG 4.1Å; W25-V52 HydrophobicContact CH2-CB 4.26Å; W25-V52 HydrophobicContact CH2-CG1 4.11Å; W25-V52 HydrophobicContact CH2-CG2 4.11Å; W25-V52 HydrophobicContact CZ2-CB 4.35Å; W25-V52 HydrophobicContact CZ2-CG1 4.13Å; W25-N56 PolarHBondContact N-O 2.83Å; W25-N56 WeakPolarHBondContact O-CB 3.3Å; W25-N56 PolarHBondContact O-ND2 2.75Å; W25-G58 VanDerWaalsContact CZ3-N 3.31Å; W25-A74 HydrophobicContact CD2-CB 4.44Å; W25-Y89 HydrophobicContact CB-CD2 3.93Å; W25-Y89 HydrophobicContact CB-CE2 4.15Å
26K90Very high88.1Confident131 Ų13155 Ų5557%0.5729%0.29SS*.  trans-72.1131.9167.5179.9173.7-174.8172.50109.3T10 M28 Y89T10-K26 HydrophobicContact CG2-CB 3.95Å; T10-K26 WeakPolarHBondContact OG1-CA 3.5Å; T10-K26 WeakPolarHBondContact OG1-CB 3.45Å; T10-K26 PolarHBondContact OG1-N 2.84Å; K26-M28 PolarHBondContact O-N 3.43Å; K26-M28 VanDerWaalsContact O-N 3.15Å; K26-Y89 WeakPolarHBondContact O-CE2 3.12Å
27Q88.6Confident88.9Confident138 Ų13857.6 Ų57.665%0.64530%0.3SS*.  trans-43.3122.9177.4-173.2176.85.600111.4
28M88.8Confident89.6Confident6 Ų654.7 Ų54.73%0.0329%0.286CS..  trans-83.7125.2177.5-62-178.9-172.600108.6W25 K26 V36 A74 G76 F86 Y89W25-M28 HydrophobicContact CG-CE 4.49Å; K26-M28 PolarHBondContact O-N 3.43Å; K26-M28 VanDerWaalsContact O-N 3.15Å; M28-V36 HydrophobicContact CE-CG1 3.99Å; M28-V36 HydrophobicContact CE-CG2 4.31Å; M28-V36 HydrophobicContact CG-CG2 4.48Å; M28-V36 HydrophobicContact SD-CG1 4.32Å; M28-V36 HydrophobicContact SD-CG2 3.68Å; M28-A74 HydrophobicContact CE-CB 3.7Å; M28-A74 VanDerWaalsContact CE-O 3.26Å; M28-A74 WeakPolarHBondContact CE-O 3.15Å; M28-G76 WeakPolarHBondContact SD-CA 3.33Å; M28-G76 PolarHBondContact SD-N 2.89Å; M28-G76 VanDerWaalsContact SD-N 3.41Å; M28-F86 HydrophobicContact CB-CE2 4Å; M28-F86 HydrophobicContact CB-CZ 4Å; M28-Y89 HydrophobicContact CE-CD2 3.35Å; M28-Y89 HydrophobicContact CE-CE2 3.61Å; M28-Y89 HydrophobicContact CE-CG 4.33Å; M28-Y89 HydrophobicContact CG-CE2 3.86Å
29T87.3Confident90.4Very high105 Ų10549.8 Ų49.864%0.64426%0.256SS*.  trans-110.3127.5-178.752.70000110.5
30H89.8Confident90.8Very high85 Ų8547.4 Ų47.439%0.39423%0.233SC..  trans-152.5144.8173.2-169-91.8000109.1S32 F33 T78 F86H30-S32 PolarHBondContact ND1-N 2.83Å; H30-S32 VanDerWaalsContact ND1-N 3.19Å; H30-S32 PolarHBondContact O-N 2.96Å; H30-S32 VanDerWaalsContact O-N 3.17Å; H30-F33 HydrophobicContact CB-CB 4.44Å; H30-F33 WeakPolarHBondContact O-CB 3.3Å; H30-F33 PolarHBondContact O-N 3.13Å; H30-T78 WeakPolarHBondContact CE1-CG2 3.39Å; H30-T78 WeakPolarHBondContact ND1-CG2 3.35Å; H30-F86 HydrophobicContact CB-CD1 3.95Å; H30-F86 HydrophobicContact CB-CD2 3.78Å; H30-F86 HydrophobicContact CB-CE1 3.82Å; H30-F86 HydrophobicContact CB-CE2 3.68Å; H30-F86 HydrophobicContact CB-CG 3.95Å; H30-F86 HydrophobicContact CB-CZ 3.72Å; H30-F86 AromaticContact CD2-CD2 3.92Å; H30-F86 AromaticContact CD2-CG 3.7Å; H30-F86 AromaticContact CG-CD1 3.94Å; H30-F86 AromaticContact CG-CG 3.83Å
31K91Very high90.7Very high217 Ų21749.5 Ų49.594%0.94324%0.243SC*.THydrogen-bonded Turntrans-56.9-33.8-177.5-71-176.8177.7-179.60113.1
32S91.7Very high90.3Very high65 Ų6551.1 Ų51.146%0.45525%0.253SS..THydrogen-bonded Turntrans-11640.9177.9-51.10000110.8H30 G34 T78 N79H30-S32 PolarHBondContact ND1-N 2.83Å; H30-S32 VanDerWaalsContact ND1-N 3.19Å; H30-S32 PolarHBondContact O-N 2.96Å; H30-S32 VanDerWaalsContact O-N 3.17Å; S32-G34 PolarHBondContact O-N 2.83Å; S32-T78 CarbonylContact O-C 3.58Å; S32-T78 WeakPolarHBondContact O-CA 3.39Å; S32-T78 WeakPolarHBondContact O-CB 3.35Å; S32-N79 PolarHBondContact O-N 3.27Å
33F91.6Very high89.4Confident68 Ų6859.7 Ų59.730%0.29829%0.285SS..EExtended strand (participates in β ladder)trans-52132.6175.8174.7-93.7000110.6H30 V36 F86H30-F33 HydrophobicContact CB-CB 4.44Å; H30-F33 WeakPolarHBondContact O-CB 3.3Å; H30-F33 PolarHBondContact O-N 3.13Å; F33-V36 HydrophobicContact CE2-CG2 3.95Å; F33-V36 HydrophobicContact CZ-CG2 4.18Å; F33-F86 HydrophobicContact CD2-CE1 4.17Å; F33-F86 AromaticContact CD2-CZ 3.84Å; F33-F86 HydrophobicContact CD2-CZ 3.84Å; F33-F86 HydrophobicContact CE2-CZ 4.41Å
34G91.8Very high88.2Confident12 Ų1267.8 Ų67.812%0.12432%0.321CS..EExtended strand (participates in β ladder)trans-111.6-64.1173.900000111.9S32 Y77S32-G34 PolarHBondContact O-N 2.83Å; G34-Y77 WeakPolarHBondContact CA-O 3.44Å; G34-Y77 PolarHBondContact N-O 2.82Å
35Y94.2Very high87Confident23 Ų2376.3 Ų76.39%0.0935%0.351CS..EExtended strand (participates in β ladder)trans-161.3170.9-175.653.2-91.5000110.6Y37 K51 V52 Y53 Y77Y35-Y37 HydrophobicContact CD2-CD2 4.2Å; Y35-Y37 HydrophobicContact CD2-CE2 4.4Å; Y35-Y37 AromaticContact CE2-CD2 3.52Å; Y35-Y37 HydrophobicContact CE2-CD2 3.52Å; Y35-Y37 AromaticContact CE2-CE2 3.43Å; Y35-Y37 HydrophobicContact CE2-CE2 3.43Å; Y35-Y37 VanDerWaalsContact CE2-CE2 3.43Å; Y35-Y37 HydrophobicContact CE2-CG 4.24Å; Y35-K51 HydrophobicContact CD2-CB 4.5Å; Y35-K51 HydrophobicContact CD2-CD 4.22Å; Y35-K51 HydrophobicContact CD2-CG 4.06Å; Y35-K51 HydrophobicContact CE2-CD 4.2Å; Y35-K51 HydrophobicContact CE2-CG 4.25Å; Y35-V52 WeakPolarHBondContact CA-O 3.02Å; Y35-V52 WeakPolarHBondContact CB-O 3.43Å; Y35-Y53 HydrophobicContact CD1-CE1 4.33Å; Y35-Y77 HydrophobicContact CE2-CD2 4.13Å; Y35-Y77 AromaticContact CE2-CG 3.97Å; Y35-Y77 HydrophobicContact CE2-CG 3.97Å; Y35-Y77 PolarHBondContact N-O 2.84Å; Y35-Y77 PolarHBondContact O-N 2.89Å
36V94.3Very high86.2Confident1 Ų178.3 Ų78.31%0.00637%0.372CS..EExtended strand (participates in β ladder)trans-109.8131.6168.1179.20000108.9W25 M28 F33 K51 V52 A74 E75W25-V36 HydrophobicContact CZ2-CB 4Å; W25-V36 HydrophobicContact CZ2-CG1 3.93Å; W25-V36 HydrophobicContact CZ2-CG2 4.21Å; M28-V36 HydrophobicContact CE-CG1 3.99Å; M28-V36 HydrophobicContact CE-CG2 4.31Å; M28-V36 HydrophobicContact CG-CG2 4.48Å; M28-V36 HydrophobicContact SD-CG1 4.32Å; M28-V36 HydrophobicContact SD-CG2 3.68Å; F33-V36 HydrophobicContact CE2-CG2 3.95Å; F33-V36 HydrophobicContact CZ-CG2 4.18Å; V36-K51 CarbonylContact O-C 3.6Å; V36-V52 PolarHBondContact N-O 2.82Å; V36-V52 PolarHBondContact O-N 2.73Å; V36-A74 HydrophobicContact CG1-CB 4.04Å; V36-E75 CarbonylContact C-O 3.59Å; V36-E75 VanDerWaalsContact CA-O 3.23Å; V36-E75 WeakPolarHBondContact CA-O 3.37Å
37Y94.4Very high85.9Confident56 Ų5675.7 Ų75.722%0.2236%0.364CS..EExtended strand (participates in β ladder)trans-87.6124.9161.8-89.3-62.8000109.3Y35 V50 K51 A74 E75 Y77Y35-Y37 HydrophobicContact CD2-CD2 4.2Å; Y35-Y37 HydrophobicContact CD2-CE2 4.4Å; Y35-Y37 AromaticContact CE2-CD2 3.52Å; Y35-Y37 HydrophobicContact CE2-CD2 3.52Å; Y35-Y37 AromaticContact CE2-CE2 3.43Å; Y35-Y37 HydrophobicContact CE2-CE2 3.43Å; Y35-Y37 VanDerWaalsContact CE2-CE2 3.43Å; Y35-Y37 HydrophobicContact CE2-CG 4.24Å; Y37-V50 WeakPolarHBondContact CA-O 3.38Å; Y37-K51 HydrophobicContact CD1-CG 3.68Å; Y37-K51 HydrophobicContact CE1-CB 4.47Å; Y37-K51 HydrophobicContact CE1-CD 4.07Å; Y37-K51 HydrophobicContact CE1-CG 3.23Å; Y37-K51 HydrophobicContact CE2-CG 4.49Å; Y37-K51 HydrophobicContact CG-CG 4.48Å; Y37-K51 WeakPolarHBondContact OH-CE 3.43Å; Y37-K51 PolarHBondContact OH-NZ 3.11Å; Y37-A74 CarbonylContact O-C 3.57Å; Y37-A74 WeakPolarHBondContact O-CA 3.38Å; Y37-E75 PolarHBondContact N-O 2.76Å; Y37-E75 PolarHBondContact O-N 2.89Å; Y37-Y77 AromaticContact CD2-CD2 3.74Å; Y37-Y77 HydrophobicContact CD2-CD2 3.74Å; Y37-Y77 AromaticContact CD2-CE2 3.64Å; Y37-Y77 HydrophobicContact CD2-CE2 3.64Å; Y37-Y77 HydrophobicContact CE2-CE2 4.46Å
38L93.8Very high85.7Confident1 Ų172.7 Ų72.71%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-85.8132.8156.6-66.2177.4000107.7F11 F23 W25 T49 V50 V52 L60 R73 A74F11-L38 HydrophobicContact CE2-CD2 3.68Å; F11-L38 HydrophobicContact CZ-CD2 4Å; F23-L38 HydrophobicContact CB-CD1 4.35Å; F23-L38 HydrophobicContact CB-CD2 4.34Å; F23-L38 HydrophobicContact CD2-CD1 3.94Å; F23-L38 HydrophobicContact CG-CD1 4.47Å; W25-L38 HydrophobicContact CE3-CD2 4.05Å; W25-L38 HydrophobicContact CH2-CD1 4.26Å; W25-L38 HydrophobicContact CH2-CD2 4.13Å; W25-L38 HydrophobicContact CH2-CG 4.25Å; W25-L38 HydrophobicContact CZ3-CD1 3.98Å; W25-L38 HydrophobicContact CZ3-CD2 3.62Å; W25-L38 HydrophobicContact CZ3-CG 4.1Å; L38-T49 CarbonylContact O-C 3.54Å; L38-T49 WeakPolarHBondContact O-CA 3.12Å; L38-V50 HydrophobicContact CB-CG1 3.72Å; L38-V50 HydrophobicContact CD1-CG1 4.12Å; L38-V50 HydrophobicContact CG-CG1 4.31Å; L38-V50 PolarHBondContact N-O 2.85Å; L38-V50 PolarHBondContact O-N 2.84Å; L38-V52 HydrophobicContact CD1-CG2 4.44Å; L38-V52 HydrophobicContact CG-CG2 4.5Å; L38-L60 HydrophobicContact CB-CB 4.36Å; L38-L60 HydrophobicContact CB-CD2 4.42Å; L38-L60 HydrophobicContact CD1-CB 4.37Å; L38-R73 CarbonylContact C-O 3.52Å; L38-R73 WeakPolarHBondContact CA-O 3.31Å; L38-A74 HydrophobicContact CD2-CB 3.86Å
39V93.6Very high85.8Confident5 Ų575.9 Ų75.93%0.0337%0.372CS..EExtended strand (participates in β ladder)trans-129.8131.3-173.4-173.80000108.1D47 N48 T49 Y72 R73 E75V39-D47 HydrophobicContact CG1-CB 3.59Å; V39-N48 WeakPolarHBondContact CA-O 3.36Å; V39-T49 HydrophobicContact CB-CG2 4.25Å; V39-T49 HydrophobicContact CG1-CG2 3.95Å; V39-T49 HydrophobicContact CG2-CG2 3.93Å; V39-Y72 CarbonylContact O-C 3.6Å; V39-Y72 VanDerWaalsContact O-CA 3.23Å; V39-Y72 WeakPolarHBondContact O-CA 3.46Å; V39-R73 HydrophobicContact CB-CB 4.16Å; V39-R73 PolarHBondContact N-O 3.08Å; V39-R73 PolarHBondContact O-N 2.94Å; V39-E75 HydrophobicContact CG2-CG 4.33Å
40H91.7Very high86.1Confident19 Ų1973.1 Ų73.19%0.08836%0.356CS..EExtended strand (participates in β ladder)trans-112.8117.1167.8165.7-128.3000108V42 D47 N48 L60 A62 T70 Y72H40-V42 WeakPolarHBondContact ND1-CG2 3.35Å; H40-V42 PolarHBondContact O-N 3.45Å; H40-V42 VanDerWaalsContact O-N 3.11Å; H40-D47 WeakPolarHBondContact O-CA 3.32Å; H40-N48 HydrophobicContact CB-CB 4.19Å; H40-N48 PolarHBondContact N-O 3.01Å; H40-N48 PolarHBondContact O-N 2.88Å; H40-L60 HydrophobicContact CB-CD2 3.55Å; H40-A62 HydrophobicContact CB-CB 3.88Å; H40-A62 WeakPolarHBondContact ND1-CB 3.44Å; H40-T70 WeakPolarHBondContact CD2-CG2 3.32Å; H40-T70 WeakPolarHBondContact NE2-CG2 3.43Å; H40-Y72 HydrophobicContact CB-CD1 3.79Å; H40-Y72 HydrophobicContact CB-CE1 3.58Å; H40-Y72 AromaticContact CD2-CE1 3.42Å; H40-Y72 VanDerWaalsContact CD2-CE1 3.42Å; H40-Y72 WeakPolarHBondContact CD2-CE1 3.35Å; H40-Y72 AromaticContact CD2-CZ 3.51Å; H40-Y72 AromaticContact CG-CE1 3.65Å
41D84.8Confident86.2Confident50 Ų5072.9 Ų72.927%0.26735%0.353SS..  trans-73.6104.6-176.8-63.7-8.4000109.1K71 R73D41-K71 HydrophobicContact CB-CB 4.18Å; D41-K71 PolarHBondContact N-O 2.87Å; D41-K71 VanDerWaalsContact N-O 3.12Å; D41-K71 WeakPolarHBondContact OD2-CB 3.25Å; D41-R73 IonicContact OD1-CZ 3.33Å; D41-R73 VanDerWaalsContact OD1-CZ 3.26Å; D41-R73 IonicContact OD1-NE 2.9Å; D41-R73 PolarHBondContact OD1-NE 3.4Å; D41-R73 IonicContact OD1-NH2 2.65Å; D41-R73 PolarHBondContact OD1-NH2 2.6Å; D41-R73 IonicContact OD2-NE 2.85Å
42V77.7Confident86.3Confident35 Ų3563.5 Ų63.521%0.21231%0.314CS..  trans-100105.7175-167.90000108.5H40 F44 W45H40-V42 WeakPolarHBondContact ND1-CG2 3.35Å; H40-V42 PolarHBondContact O-N 3.45Å; H40-V42 VanDerWaalsContact O-N 3.11Å; V42-F44 PolarHBondContact O-N 2.66Å; V42-W45 HydrophobicContact CB-CB 4.4Å; V42-W45 HydrophobicContact CG1-CB 3.79Å; V42-W45 HydrophobicContact CG1-CG 4.3Å; V42-W45 PolarHBondContact O-N 3.48Å
43Y69.4Low86Confident187 Ų18768.2 Ų68.273%0.73332%0.323SS*.THydrogen-bonded Turntrans-54.4127.2177.9-162.4-118.7000110.2W45Y43-W45 VanDerWaalsContact C-N 3.3Å; Y43-W45 VanDerWaalsContact O-CD1 3.24Å; Y43-W45 PolarHBondContact O-N 3.36Å
44F65.8Low85.4Confident172 Ų17267.3 Ų67.375%0.75433%0.333SS*.THydrogen-bonded Turntrans69.6-22.1-175.8-64.7-70.7000119.5V42V42-F44 PolarHBondContact O-N 2.66Å
45W66.2Low84.9Confident225 Ų22569.2 Ų69.285%0.85235%0.353SS*.THydrogen-bonded Turntrans-1031.6-169.1-6297.5000115.2V42 Y43V42-W45 HydrophobicContact CB-CB 4.4Å; V42-W45 HydrophobicContact CG1-CB 3.79Å; V42-W45 HydrophobicContact CG1-CG 4.3Å; V42-W45 PolarHBondContact O-N 3.48Å; Y43-W45 VanDerWaalsContact C-N 3.3Å; Y43-W45 VanDerWaalsContact O-CD1 3.24Å; Y43-W45 PolarHBondContact O-N 3.36Å
46G74.2Confident84.6Confident44 Ų4471 Ų7145%0.45436%0.364SS..  trans82.5143.2-172.400000110.9N48G46-N48 PolarHBondContact O-N 2.99Å
47D82.6Confident84.4Confident75 Ų7575.1 Ų75.140%0.40139%0.385SS..  trans-66.9136.5-174.4-60.6-18.2000111.1V39 H40 T49 R73V39-D47 HydrophobicContact CG1-CB 3.59Å; H40-D47 WeakPolarHBondContact O-CA 3.32Å; D47-T49 HydrophobicContact CB-CG2 4.01Å; D47-T49 PolarHBondContact O-N 2.8Å; D47-R73 IonicContact OD2-NH2 3.48Å; D47-R73 PolarHBondContact OD2-NH2 2.84Å
48N85.8Confident84.2Confident75 Ų7572.8 Ų72.840%0.40138%0.378SS..EExtended strand (participates in β ladder)trans-76.1123.3166.9-73.6-22.3000107.8V39 H40 G46 A62V39-N48 WeakPolarHBondContact CA-O 3.36Å; H40-N48 HydrophobicContact CB-CB 4.19Å; H40-N48 PolarHBondContact N-O 3.01Å; H40-N48 PolarHBondContact O-N 2.88Å; G46-N48 PolarHBondContact O-N 2.99Å; N48-A62 HydrophobicContact CB-CB 3.81Å; N48-A62 WeakPolarHBondContact ND2-CB 3Å
49T90.7Very high84.1Confident73 Ų7376.1 Ų76.145%0.44840%0.396SS..EExtended strand (participates in β ladder)trans-131.5146.9-17663.60000113L38 V39 D47L38-T49 CarbonylContact O-C 3.54Å; L38-T49 WeakPolarHBondContact O-CA 3.12Å; V39-T49 HydrophobicContact CB-CG2 4.25Å; V39-T49 HydrophobicContact CG1-CG2 3.95Å; V39-T49 HydrophobicContact CG2-CG2 3.93Å; D47-T49 HydrophobicContact CB-CG2 4.01Å; D47-T49 PolarHBondContact O-N 2.8Å
50V93.1Very high84Confident48 Ų4876.1 Ų76.129%0.29140%0.395SS..EExtended strand (participates in β ladder)trans-135.3141169.565.60000110.2Y37 L38 L59 L60Y37-V50 WeakPolarHBondContact CA-O 3.38Å; L38-V50 HydrophobicContact CB-CG1 3.72Å; L38-V50 HydrophobicContact CD1-CG1 4.12Å; L38-V50 HydrophobicContact CG-CG1 4.31Å; L38-V50 PolarHBondContact N-O 2.85Å; L38-V50 PolarHBondContact O-N 2.84Å; V50-L59 WeakPolarHBondContact CG1-O 3.36Å; V50-L60 HydrophobicContact CB-CD1 4.18Å; V50-L60 HydrophobicContact CG1-CB 4.19Å; V50-L60 HydrophobicContact CG1-CD1 3.81Å
51K92.3Very high83.8Confident80 Ų8083 Ų8335%0.34843%0.428SS..EExtended strand (participates in β ladder)trans-89.7131.7173.9-68.9-175.6-178.21750111Y35 V36 Y37 Y53Y35-K51 HydrophobicContact CD2-CB 4.5Å; Y35-K51 HydrophobicContact CD2-CD 4.22Å; Y35-K51 HydrophobicContact CD2-CG 4.06Å; Y35-K51 HydrophobicContact CE2-CD 4.2Å; Y35-K51 HydrophobicContact CE2-CG 4.25Å; V36-K51 CarbonylContact O-C 3.6Å; Y37-K51 HydrophobicContact CD1-CG 3.68Å; Y37-K51 HydrophobicContact CE1-CB 4.47Å; Y37-K51 HydrophobicContact CE1-CD 4.07Å; Y37-K51 HydrophobicContact CE1-CG 3.23Å; Y37-K51 HydrophobicContact CE2-CG 4.49Å; Y37-K51 HydrophobicContact CG-CG 4.48Å; Y37-K51 WeakPolarHBondContact OH-CE 3.43Å; Y37-K51 PolarHBondContact OH-NZ 3.11Å; K51-Y53 HydrophobicContact CB-CD2 4.5Å; K51-Y53 HydrophobicContact CB-CE2 3.99Å; K51-Y53 HydrophobicContact CD-CE2 4.47Å
52V91.9Very high83.6Confident20 Ų2080.9 Ų80.912%0.12142%0.417CS..EExtended strand (participates in β ladder)trans-117.2103.6173.1-175.90000107.8W25 Y35 V36 L38 G54W25-V52 HydrophobicContact CH2-CB 4.26Å; W25-V52 HydrophobicContact CH2-CG1 4.11Å; W25-V52 HydrophobicContact CH2-CG2 4.11Å; W25-V52 HydrophobicContact CZ2-CB 4.35Å; W25-V52 HydrophobicContact CZ2-CG1 4.13Å; Y35-V52 WeakPolarHBondContact CA-O 3.02Å; Y35-V52 WeakPolarHBondContact CB-O 3.43Å; V36-V52 PolarHBondContact N-O 2.82Å; V36-V52 PolarHBondContact O-N 2.73Å; L38-V52 HydrophobicContact CD1-CG2 4.44Å; L38-V52 HydrophobicContact CG-CG2 4.5Å; V52-G54 VanDerWaalsContact C-N 3.27Å; V52-G54 WeakPolarHBondContact CG1-O 3.39Å; V52-G54 PolarHBondContact O-N 2.86Å
53Y86.2Confident83.7Confident163 Ų16380.7 Ų80.764%0.63942%0.416SS*.  trans-74.8-13.7-174.3-70.5-84.1000114Y35 K51Y35-Y53 HydrophobicContact CD1-CE1 4.33Å; K51-Y53 HydrophobicContact CB-CD2 4.5Å; K51-Y53 HydrophobicContact CB-CE2 3.99Å; K51-Y53 HydrophobicContact CD-CE2 4.47Å
54G78.6Confident84.4Confident50 Ų5072 Ų7252%0.51538%0.383SS..SBendtrans-169155.1178.700000112V52V52-G54 VanDerWaalsContact C-N 3.27Å; V52-G54 WeakPolarHBondContact CG1-O 3.39Å; V52-G54 PolarHBondContact O-N 2.86Å
55G82.3Confident85.4Confident51 Ų5170.7 Ų70.753%0.52638%0.377SS..SBendtrans94.1-173.5-176.200000113.4
56N88.4Confident86.4Confident62 Ų6261.3 Ų61.333%0.33235%0.345SS..SBendtrans-130.613.3-172.571.9-58.9000111.8E24 W25E24-N56 CarbonylContact C-O 3.6Å; E24-N56 WeakPolarHBondContact CA-O 3.37Å; W25-N56 PolarHBondContact N-O 2.83Å; W25-N56 WeakPolarHBondContact O-CB 3.3Å; W25-N56 PolarHBondContact O-ND2 2.75Å
57I90Very high87.2Confident86 Ų8660.8 Ų60.844%0.44133%0.334SS..EExtended strand (participates in β ladder)trans-132.4142.8177.2-63.1174.5000107.5I14 F23 E24I14-I57 HydrophobicContact CD1-CD1 4.24Å; I14-I57 HydrophobicContact CD1-CG1 4.38Å; I14-I57 HydrophobicContact CD1-CG2 3.88Å; F23-I57 CarbonylContact O-C 3.59Å; F23-I57 WeakPolarHBondContact O-CA 3.29Å; F23-I57 WeakPolarHBondContact O-CG2 3.49Å; E24-I57 HydrophobicContact CB-CG1 4.27Å; E24-I57 HydrophobicContact CG-CG1 4.21Å
58G90.3Very high87.5Confident8 Ų861.2 Ų61.28%0.08234%0.336CS..EExtended strand (participates in β ladder)trans-152.6157.4176.400000111.6A22 F23 W25A22-G58 CarbonylContact C-O 3.55Å; A22-G58 WeakPolarHBondContact CA-O 3.24Å; F23-G58 PolarHBondContact N-O 2.94Å; F23-G58 PolarHBondContact O-N 2.86Å; W25-G58 VanDerWaalsContact CZ3-N 3.31Å
59L91.2Very high87.6Confident71 Ų7162.2 Ų62.237%0.37235%0.345SS..EExtended strand (participates in β ladder)trans-114.7122.7179.6-174.976.1000108.7A20 A22 V50A20-L59 HydrophobicContact CB-CD1 3.77Å; A20-L59 HydrophobicContact CB-CD2 4.29Å; A20-L59 HydrophobicContact CB-CG 3.97Å; A22-L59 HydrophobicContact CB-CD1 4.06Å; V50-L59 WeakPolarHBondContact CG1-O 3.36Å
60L90.1Very high87.5Confident5 Ų559.5 Ų59.53%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-110.7124.3174.3178.565.9000108.8A20 M21 F23 L38 H40 V50 A62 Y72A20-L60 CarbonylContact C-O 3.48Å; A20-L60 VanDerWaalsContact CA-O 3.24Å; A20-L60 WeakPolarHBondContact CA-O 3.31Å; A20-L60 WeakPolarHBondContact CB-O 3.33Å; M21-L60 PolarHBondContact N-O 2.8Å; M21-L60 PolarHBondContact O-N 2.87Å; F23-L60 HydrophobicContact CD2-CB 4.42Å; F23-L60 HydrophobicContact CE2-CB 3.9Å; F23-L60 HydrophobicContact CE2-CD2 4.38Å; L38-L60 HydrophobicContact CB-CB 4.36Å; L38-L60 HydrophobicContact CB-CD2 4.42Å; L38-L60 HydrophobicContact CD1-CB 4.37Å; H40-L60 HydrophobicContact CB-CD2 3.55Å; V50-L60 HydrophobicContact CB-CD1 4.18Å; V50-L60 HydrophobicContact CG1-CB 4.19Å; V50-L60 HydrophobicContact CG1-CD1 3.81Å; L60-A62 HydrophobicContact CD2-CB 4.18Å; L60-A62 HydrophobicContact CG-CB 3.92Å; L60-A62 PolarHBondContact O-N 2.67Å; L60-Y72 HydrophobicContact CD2-CD1 4.05Å; L60-Y72 HydrophobicContact CD2-CE1 4.19Å
61E88.3Confident87.4Confident163 Ų16363.3 Ų63.376%0.76234%0.341SS*.SBendtrans-75.852.6175.4-63.8-174.8161.100111.5A19 A20A19-E61 CarbonylContact O-C 3.55Å; A19-E61 VanDerWaalsContact O-C 3.32Å; A19-E61 WeakPolarHBondContact O-CA 3.24Å; A20-E61 HydrophobicContact CB-CG 4.35Å
62A81Confident87.4Confident5 Ų559.5 Ų59.54%0.04132%0.324CS..  trans-146.3123.3175.400000109.1H40 N48 L60H40-A62 HydrophobicContact CB-CB 3.88Å; H40-A62 WeakPolarHBondContact ND1-CB 3.44Å; N48-A62 HydrophobicContact CB-CB 3.81Å; N48-A62 WeakPolarHBondContact ND2-CB 3Å; L60-A62 HydrophobicContact CD2-CB 4.18Å; L60-A62 HydrophobicContact CG-CB 3.92Å; L60-A62 PolarHBondContact O-N 2.67Å
63V79.4Confident87.5Confident32 Ų3261.2 Ų61.219%0.19433%0.329CS..  trans-120.6130.4176.3-166.10000107.6A20 M21 R95A20-V63 VanDerWaalsContact N-CG2 3.31Å; M21-V63 HydrophobicContact CG-CG1 4.22Å; M21-V63 HydrophobicContact CG-CG2 4.11Å; M21-V63 HydrophobicContact SD-CG1 4.25Å; V63-R95 VanDerWaalsContact CG1-NH1 3.27Å
64G83.1Confident87.9Confident4 Ų453.5 Ų53.54%0.04130%0.298CS..PPolyproline II helixtrans-60.5160.2172.800000111.3T70 Y72 R95G64-T70 WeakPolarHBondContact CA-OG1 3.36Å; G64-Y72 PolarHBondContact N-OH 3.04Å; G64-R95 VanDerWaalsContact O-CZ 3.28Å; G64-R95 PolarHBondContact O-NE 2.79Å; G64-R95 PolarHBondContact O-NH1 2.75Å; G64-R95 VanDerWaalsContact O-NH1 3.12Å
65K87.8Confident88.6Confident145 Ų14551.8 Ų51.863%0.6328%0.277SS*.PPolyproline II helixtrans-66.8152.2172.6-77.3-177.7-178.2-177.90110.6D68K65-D68 HydrophobicContact CB-CB 3.96Å; K65-D68 VanDerWaalsContact CB-OD2 3.25Å; K65-D68 WeakPolarHBondContact CB-OD2 3.37Å; K65-D68 WeakPolarHBondContact CD-OD2 3.45Å; K65-D68 PolarHBondContact O-N 2.79Å
66P88.1Confident89.2Confident27 Ų2749.4 Ų49.418%0.17525%0.252CS..BIsolated β-bridgetrans-63.7143.5174.928.3-27.6000109.2D68 R95 P97 T120P66-D68 PolarHBondContact O-N 2.03Å; P66-R95 CarbonylContact C-O 3.53Å; P66-R95 WeakPolarHBondContact CA-O 3.31Å; P66-P97 HydrophobicContact CB-CB 4.37Å; P66-P97 HydrophobicContact CB-CG 4.09Å; P66-T120 HydrophobicContact CB-CG2 3.59Å; P66-T120 HydrophobicContact CG-CG2 3.35Å
67C89.2Confident89.5Confident34 Ų3448.7 Ų48.723%0.2325%0.245CC..THydrogen-bonded Turntrans65.8-10.2-177.3-50.20000116.3K94 R95 C123C67-K94 WeakPolarHBondContact O-CE 3.21Å; C67-R95 PolarHBondContact N-O 3.38Å; C67-C123 WeakPolarHBondContact CA-SG 3.26Å; C67-C123 HydrophobicContact CB-CB 3.71Å; C67-C123 WeakPolarHBondContact CB-SG 3.34Å; C67-C123 WeakPolarHBondContact SG-CA 3.15Å; C67-C123 WeakPolarHBondContact SG-CB 3.43Å; C67-C123 CovalentContact SG-SG 2.03Å; C67-C123 PolarHBondContact SG-SG 2.72Å
68D89.3Confident89.7Confident84 Ų8444.8 Ų44.845%0.44923%0.226SC..  trans-88.8128.9177.1-73.4-22.1000111.4K65 P66 T70K65-D68 HydrophobicContact CB-CB 3.96Å; K65-D68 VanDerWaalsContact CB-OD2 3.25Å; K65-D68 WeakPolarHBondContact CB-OD2 3.37Å; K65-D68 WeakPolarHBondContact CD-OD2 3.45Å; K65-D68 PolarHBondContact O-N 2.79Å; P66-D68 PolarHBondContact O-N 2.03Å; D68-T70 PolarHBondContact O-N 2.79Å; D68-T70 PolarHBondContact O-OG1 3Å
69V88.4Confident89.6Confident96 Ų9650.4 Ų50.458%0.58225%0.253SS*.EExtended strand (participates in β ladder)trans-74.6118172.1-177.60000109T92 K94V69-T92 HydrophobicContact CG1-CG2 4.3Å; V69-K94 HydrophobicContact CG2-CB 4.11Å; V69-K94 HydrophobicContact CG2-CD 4.16Å; V69-K94 HydrophobicContact CG2-CG 4.1Å
70T88.6Confident89.2Confident16 Ų1649.2 Ų49.210%0.09825%0.254CS..EExtended strand (participates in β ladder)trans-114146.5-175.7-57.20000110.7H40 G64 D68 Y72 T92 Y93H40-T70 WeakPolarHBondContact CD2-CG2 3.32Å; H40-T70 WeakPolarHBondContact NE2-CG2 3.43Å; G64-T70 WeakPolarHBondContact CA-OG1 3.36Å; D68-T70 PolarHBondContact O-N 2.79Å; D68-T70 PolarHBondContact O-OG1 3Å; T70-Y72 HydrophobicContact CG2-CD2 4.31Å; T70-Y72 HydrophobicContact CG2-CE1 4.49Å; T70-Y72 HydrophobicContact CG2-CE2 3.44Å; T70-Y72 VanDerWaalsContact CG2-CE2 3.44Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.4Å; T70-T92 CarbonylContact O-C 3.59Å; T70-T92 VanDerWaalsContact O-CA 3.31Å; T70-T92 WeakPolarHBondContact O-CA 3.21Å; T70-Y93 PolarHBondContact N-O 3.18Å; T70-Y93 PolarHBondContact O-N 3.32Å
71K91.5Very high88.9Confident127 Ų12757.9 Ų57.955%0.55229%0.292SS*.EExtended strand (participates in β ladder)trans-103135.1179.9-65.8-179.9-176.31750111.5D41 T92D41-K71 HydrophobicContact CB-CB 4.18Å; D41-K71 PolarHBondContact N-O 2.87Å; D41-K71 VanDerWaalsContact N-O 3.12Å; D41-K71 WeakPolarHBondContact OD2-CB 3.25Å; K71-T92 HydrophobicContact CG-CG2 4.04Å
72Y92.8Very high88.8Confident1 Ų157.9 Ų57.90%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-127.8149.9175.3-61.4-90.7000110.2M21 F23 V39 H40 L60 G64 T70 Q90 M91M21-Y72 HydrophobicContact CE-CD1 4.4Å; M21-Y72 HydrophobicContact CE-CD2 4.45Å; M21-Y72 HydrophobicContact CE-CE1 3.5Å; M21-Y72 VanDerWaalsContact CE-CE1 3.5Å; M21-Y72 HydrophobicContact CE-CE2 3.61Å; M21-Y72 WeakPolarHBondContact CE-OH 3.48Å; F23-Y72 AromaticContact CE1-CD1 3.95Å; F23-Y72 HydrophobicContact CE1-CD1 3.95Å; F23-Y72 HydrophobicContact CE1-CD2 4.36Å; F23-Y72 AromaticContact CE1-CG 3.84Å; F23-Y72 HydrophobicContact CE1-CG 3.84Å; F23-Y72 HydrophobicContact CE2-CD1 4.38Å; F23-Y72 AromaticContact CZ-CD1 3.43Å; F23-Y72 HydrophobicContact CZ-CD1 3.43Å; F23-Y72 VanDerWaalsContact CZ-CD1 3.43Å; F23-Y72 HydrophobicContact CZ-CD2 4.46Å; F23-Y72 AromaticContact CZ-CE1 3.78Å; F23-Y72 HydrophobicContact CZ-CE1 3.78Å; F23-Y72 AromaticContact CZ-CG 3.82Å; F23-Y72 HydrophobicContact CZ-CG 3.82Å; V39-Y72 CarbonylContact O-C 3.6Å; V39-Y72 VanDerWaalsContact O-CA 3.23Å; V39-Y72 WeakPolarHBondContact O-CA 3.46Å; H40-Y72 HydrophobicContact CB-CD1 3.79Å; H40-Y72 HydrophobicContact CB-CE1 3.58Å; H40-Y72 AromaticContact CD2-CE1 3.42Å; H40-Y72 VanDerWaalsContact CD2-CE1 3.42Å; H40-Y72 WeakPolarHBondContact CD2-CE1 3.35Å; H40-Y72 AromaticContact CD2-CZ 3.51Å; H40-Y72 AromaticContact CG-CE1 3.65Å; L60-Y72 HydrophobicContact CD2-CD1 4.05Å; L60-Y72 HydrophobicContact CD2-CE1 4.19Å; G64-Y72 PolarHBondContact N-OH 3.04Å; T70-Y72 HydrophobicContact CG2-CD2 4.31Å; T70-Y72 HydrophobicContact CG2-CE1 4.49Å; T70-Y72 HydrophobicContact CG2-CE2 3.44Å; T70-Y72 VanDerWaalsContact CG2-CE2 3.44Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.4Å; Y72-Q90 WeakPolarHBondContact O-CA 3.33Å; Y72-M91 PolarHBondContact N-O 3.12Å; Y72-M91 PolarHBondContact O-N 3.43Å
73R93.1Very high89.2Confident56 Ų5660.8 Ų60.821%0.21131%0.308CS..EExtended strand (participates in β ladder)trans-133.9145.6175.3-53.7177.5-89156-4.9110.6L38 V39 D41 D47 E75 T88 Y89 Q90L38-R73 CarbonylContact C-O 3.52Å; L38-R73 WeakPolarHBondContact CA-O 3.31Å; V39-R73 HydrophobicContact CB-CB 4.16Å; V39-R73 PolarHBondContact N-O 3.08Å; V39-R73 PolarHBondContact O-N 2.94Å; D41-R73 IonicContact OD1-CZ 3.33Å; D41-R73 VanDerWaalsContact OD1-CZ 3.26Å; D41-R73 IonicContact OD1-NE 2.9Å; D41-R73 PolarHBondContact OD1-NE 3.4Å; D41-R73 IonicContact OD1-NH2 2.65Å; D41-R73 PolarHBondContact OD1-NH2 2.6Å; D41-R73 IonicContact OD2-NE 2.85Å; D47-R73 IonicContact OD2-NH2 3.48Å; D47-R73 PolarHBondContact OD2-NH2 2.84Å; R73-E75 HydrophobicContact CB-CG 4.05Å; R73-E75 WeakPolarHBondContact CD-OE1 3.4Å; R73-E75 IonicContact CZ-OE1 3.59Å; R73-E75 IonicContact NE-OE1 2.7Å; R73-E75 IonicContact NH1-OE1 3.23Å; R73-E75 PolarHBondContact NH1-OE1 2.78Å; R73-T88 HydrophobicContact CB-CG2 4.28Å; R73-Y89 CarbonylContact C-O 3.52Å; R73-Y89 VanDerWaalsContact CA-O 3.25Å; R73-Y89 WeakPolarHBondContact CA-O 2.96Å; R73-Q90 HydrophobicContact CG-CG 4.16Å
74A94.1Very high89.8Confident0 Ų062.2 Ų62.20%032%0.32CS..EExtended strand (participates in β ladder)trans-112.8116.5162.200000107.8F11 W25 M28 V36 Y37 L38 T88 Y89F11-A74 HydrophobicContact CD2-CB 3.82Å; F11-A74 HydrophobicContact CE1-CB 4.43Å; F11-A74 HydrophobicContact CE2-CB 3.72Å; F11-A74 HydrophobicContact CG-CB 4.23Å; F11-A74 HydrophobicContact CZ-CB 4.05Å; W25-A74 HydrophobicContact CD2-CB 4.44Å; M28-A74 HydrophobicContact CE-CB 3.7Å; M28-A74 VanDerWaalsContact CE-O 3.26Å; M28-A74 WeakPolarHBondContact CE-O 3.15Å; V36-A74 HydrophobicContact CG1-CB 4.04Å; Y37-A74 CarbonylContact O-C 3.57Å; Y37-A74 WeakPolarHBondContact O-CA 3.38Å; L38-A74 HydrophobicContact CD2-CB 3.86Å; A74-T88 CarbonylContact O-C 3.46Å; A74-T88 WeakPolarHBondContact O-CA 3.34Å; A74-Y89 PolarHBondContact N-O 2.63Å; A74-Y89 PolarHBondContact O-N 2.63Å
75E94.4Very high90.2Very high15 Ų1565 Ų657%0.0733%0.333CS..EExtended strand (participates in β ladder)trans-117.8113.3-171.1-65.4-167.5174.800110.9V36 Y37 V39 R73 Y77 N85 R87 T88V36-E75 CarbonylContact C-O 3.59Å; V36-E75 VanDerWaalsContact CA-O 3.23Å; V36-E75 WeakPolarHBondContact CA-O 3.37Å; Y37-E75 PolarHBondContact N-O 2.76Å; Y37-E75 PolarHBondContact O-N 2.89Å; V39-E75 HydrophobicContact CG2-CG 4.33Å; R73-E75 HydrophobicContact CB-CG 4.05Å; R73-E75 WeakPolarHBondContact CD-OE1 3.4Å; R73-E75 IonicContact CZ-OE1 3.59Å; R73-E75 IonicContact NE-OE1 2.7Å; R73-E75 IonicContact NH1-OE1 3.23Å; R73-E75 PolarHBondContact NH1-OE1 2.78Å; E75-Y77 HydrophobicContact CB-CD2 4.16Å; E75-Y77 HydrophobicContact CB-CE2 3.61Å; E75-Y77 WeakPolarHBondContact O-CD2 3.4Å; E75-Y77 WeakPolarHBondContact OE2-CE2 3.33Å; E75-Y77 PolarHBondContact OE2-OH 3.07Å; E75-Y77 VanDerWaalsContact OE2-OH 3.11Å; E75-N85 WeakPolarHBondContact CB-ND2 3.36Å; E75-N85 PolarHBondContact OE2-ND2 3.38Å; E75-R87 CarbonylContact C-O 3.56Å; E75-T88 HydrophobicContact CG-CG2 3.92Å
76G94Very high90.5Very high0 Ų060.5 Ų60.50%031%0.314CS..EExtended strand (participates in β ladder)trans-81.6125.4177.400000111.4M28 N85 F86 R87M28-G76 WeakPolarHBondContact SD-CA 3.33Å; M28-G76 PolarHBondContact SD-N 2.89Å; M28-G76 VanDerWaalsContact SD-N 3.41Å; G76-N85 CarbonylContact O-C 3.44Å; G76-N85 WeakPolarHBondContact O-CA 3.45Å; G76-F86 VanDerWaalsContact C-CD1 3.48Å; G76-F86 WeakPolarHBondContact O-CD1 3.45Å; G76-F86 WeakPolarHBondContact O-CE1 3.45Å; G76-F86 PolarHBondContact O-N 2.79Å; G76-R87 PolarHBondContact N-O 2.91Å
77Y95.3Very high90.7Very high47 Ų4764.1 Ų64.118%0.18432%0.324CS..EExtended strand (participates in β ladder)trans-116.5144.9179.9-80.9-95.4000112.9G34 Y35 Y37 E75 P83 S84 N85 F86G34-Y77 WeakPolarHBondContact CA-O 3.44Å; G34-Y77 PolarHBondContact N-O 2.82Å; Y35-Y77 HydrophobicContact CE2-CD2 4.13Å; Y35-Y77 AromaticContact CE2-CG 3.97Å; Y35-Y77 HydrophobicContact CE2-CG 3.97Å; Y35-Y77 PolarHBondContact N-O 2.84Å; Y35-Y77 PolarHBondContact O-N 2.89Å; Y37-Y77 AromaticContact CD2-CD2 3.74Å; Y37-Y77 HydrophobicContact CD2-CD2 3.74Å; Y37-Y77 AromaticContact CD2-CE2 3.64Å; Y37-Y77 HydrophobicContact CD2-CE2 3.64Å; Y37-Y77 HydrophobicContact CE2-CE2 4.46Å; E75-Y77 HydrophobicContact CB-CD2 4.16Å; E75-Y77 HydrophobicContact CB-CE2 3.61Å; E75-Y77 WeakPolarHBondContact O-CD2 3.4Å; E75-Y77 WeakPolarHBondContact OE2-CE2 3.33Å; E75-Y77 PolarHBondContact OE2-OH 3.07Å; E75-Y77 VanDerWaalsContact OE2-OH 3.11Å; Y77-P83 HydrophobicContact CD1-CB 4.15Å; Y77-S84 WeakPolarHBondContact CA-O 3.47Å; Y77-N85 HydrophobicContact CD1-CB 4.4Å; Y77-N85 HydrophobicContact CE1-CB 3.88Å; Y77-N85 HydrophobicContact CE2-CB 4.22Å; Y77-F86 WeakPolarHBondContact O-CE1 3.4Å
78T93.5Very high90.9Very high5 Ų565 Ų653%0.03133%0.328CS..EExtended strand (participates in β ladder)trans-79.8151.2174.660.40000112.3H30 S32 A80 P83 S84 F86H30-T78 WeakPolarHBondContact CE1-CG2 3.39Å; H30-T78 WeakPolarHBondContact ND1-CG2 3.35Å; S32-T78 CarbonylContact O-C 3.58Å; S32-T78 WeakPolarHBondContact O-CA 3.39Å; S32-T78 WeakPolarHBondContact O-CB 3.35Å; T78-A80 PolarHBondContact O-N 2.9Å; T78-P83 WeakPolarHBondContact O-CA 3.43Å; T78-P83 WeakPolarHBondContact O-CB 3.29Å; T78-S84 PolarHBondContact N-O 3.15Å; T78-S84 PolarHBondContact OG1-N 2.8Å; T78-S84 VanDerWaalsContact OG1-N 3.07Å; T78-S84 PolarHBondContact OG1-O 3.43Å; T78-S84 PolarHBondContact OG1-OG 3.31Å; T78-F86 HydrophobicContact CG2-CB 4.34Å; T78-F86 HydrophobicContact CG2-CD1 3.68Å; T78-F86 HydrophobicContact CG2-CG 4.38Å
79N87.8Confident91.1Very high125 Ų12561.8 Ų61.867%0.66831%0.31SS*.  trans-87.327173.9-15721.5000113.1S32S32-N79 PolarHBondContact O-N 3.27Å
80A83.6Confident91.3Very high47 Ų4763.3 Ų63.339%0.38831%0.311SS..SBendtrans-75.1165.2177.200000110.8T78 F82 P83T78-A80 PolarHBondContact O-N 2.9Å; A80-F82 CarbonylContact O-C 3.52Å; A80-F82 PolarHBondContact O-N 3.23Å; A80-F82 VanDerWaalsContact O-N 3.12Å; A80-P83 WeakPolarHBondContact O-CD 3.3Å
81F84.3Confident91.4Very high186 Ų18664.1 Ų64.182%0.81631%0.314SS*.SBendtrans-52.7-35.1175.5-174.6-92.7000112.3
82F86Confident91.3Very high164 Ų16462.5 Ų62.572%0.71932%0.315SS*.SBendtrans-109.5100.4163.8-63.3-71.9000109.3A80 S84A80-F82 CarbonylContact O-C 3.52Å; A80-F82 PolarHBondContact O-N 3.23Å; A80-F82 VanDerWaalsContact O-N 3.12Å; F82-S84 PolarHBondContact O-N 3.49Å
83P88.1Confident91Very high66 Ų6664.1 Ų64.143%0.42932%0.321SS..  trans-56.8123.3175-2635.3000110.4Y77 T78 A80Y77-P83 HydrophobicContact CD1-CB 4.15Å; T78-P83 WeakPolarHBondContact O-CA 3.43Å; T78-P83 WeakPolarHBondContact O-CB 3.29Å; A80-P83 WeakPolarHBondContact O-CD 3.3Å
84S92.1Very high90.7Very high62 Ų6263.5 Ų63.543%0.43432%0.32SS..  trans-115.6137.217743.20000110.1Y77 T78 F82 F86Y77-S84 WeakPolarHBondContact CA-O 3.47Å; T78-S84 PolarHBondContact N-O 3.15Å; T78-S84 PolarHBondContact OG1-N 2.8Å; T78-S84 VanDerWaalsContact OG1-N 3.07Å; T78-S84 PolarHBondContact OG1-O 3.43Å; T78-S84 PolarHBondContact OG1-OG 3.31Å; F82-S84 PolarHBondContact O-N 3.49Å; S84-F86 PolarHBondContact O-N 3.44Å
85N93.4Very high90.3Very high61 Ų6164.1 Ų64.133%0.32632%0.322SS..EExtended strand (participates in β ladder)trans-66.4122.7168.6-177.1-56.6000108.1E75 G76 Y77 R87 T88E75-N85 WeakPolarHBondContact CB-ND2 3.36Å; E75-N85 PolarHBondContact OE2-ND2 3.38Å; G76-N85 CarbonylContact O-C 3.44Å; G76-N85 WeakPolarHBondContact O-CA 3.45Å; Y77-N85 HydrophobicContact CD1-CB 4.4Å; Y77-N85 HydrophobicContact CE1-CB 3.88Å; Y77-N85 HydrophobicContact CE2-CB 4.22Å; N85-R87 PolarHBondContact OD1-N 3.38Å; N85-R87 PolarHBondContact OD1-O 2.97Å; N85-T88 PolarHBondContact ND2-OG1 2.85Å; N85-T88 PolarHBondContact OD1-OG1 3.28Å; N85-T88 VanDerWaalsContact OD1-OG1 3.1Å
86F93.1Very high89.9Confident52 Ų5263.6 Ų63.623%0.22832%0.32CS..EExtended strand (participates in β ladder)trans-110.4-14.9178.566.9-98.8000112.5M28 H30 F33 G76 Y77 T78 S84M28-F86 HydrophobicContact CB-CE2 4Å; M28-F86 HydrophobicContact CB-CZ 4Å; H30-F86 HydrophobicContact CB-CD1 3.95Å; H30-F86 HydrophobicContact CB-CD2 3.78Å; H30-F86 HydrophobicContact CB-CE1 3.82Å; H30-F86 HydrophobicContact CB-CE2 3.68Å; H30-F86 HydrophobicContact CB-CG 3.95Å; H30-F86 HydrophobicContact CB-CZ 3.72Å; H30-F86 AromaticContact CD2-CD2 3.92Å; H30-F86 AromaticContact CD2-CG 3.7Å; H30-F86 AromaticContact CG-CD1 3.94Å; H30-F86 AromaticContact CG-CG 3.83Å; F33-F86 HydrophobicContact CD2-CE1 4.17Å; F33-F86 AromaticContact CD2-CZ 3.84Å; F33-F86 HydrophobicContact CD2-CZ 3.84Å; F33-F86 HydrophobicContact CE2-CZ 4.41Å; G76-F86 VanDerWaalsContact C-CD1 3.48Å; G76-F86 WeakPolarHBondContact O-CD1 3.45Å; G76-F86 WeakPolarHBondContact O-CE1 3.45Å; G76-F86 PolarHBondContact O-N 2.79Å; Y77-F86 WeakPolarHBondContact O-CE1 3.4Å; T78-F86 HydrophobicContact CG2-CB 4.34Å; T78-F86 HydrophobicContact CG2-CD1 3.68Å; T78-F86 HydrophobicContact CG2-CG 4.38Å; S84-F86 PolarHBondContact O-N 3.44Å
87R92.8Very high89.7Confident103 Ų10363.7 Ų63.739%0.38932%0.321SS..EExtended strand (participates in β ladder)trans-159.4139.3179.5-167.9166.5-169.6159.32.2110.1E75 G76 N85 Y89E75-R87 CarbonylContact C-O 3.56Å; G76-R87 PolarHBondContact N-O 2.91Å; N85-R87 PolarHBondContact OD1-N 3.38Å; N85-R87 PolarHBondContact OD1-O 2.97Å; R87-Y89 PolarHBondContact NE-OH 3.19Å; R87-Y89 VanDerWaalsContact NE-OH 3.08Å; R87-Y89 PolarHBondContact NH2-OH 2.91Å
88T93.4Very high89.2Confident52 Ų5261.8 Ų61.832%0.31931%0.313SS..EExtended strand (participates in β ladder)trans-130.9130173.8-61.40000109.3R73 A74 E75 N85 Q90R73-T88 HydrophobicContact CB-CG2 4.28Å; A74-T88 CarbonylContact O-C 3.46Å; A74-T88 WeakPolarHBondContact O-CA 3.34Å; E75-T88 HydrophobicContact CG-CG2 3.92Å; N85-T88 PolarHBondContact ND2-OG1 2.85Å; N85-T88 PolarHBondContact OD1-OG1 3.28Å; N85-T88 VanDerWaalsContact OD1-OG1 3.1Å; T88-Q90 HydrophobicContact CG2-CG 3.83Å
89Y93.6Very high88.8Confident16 Ų1661.9 Ų61.96%0.06331%0.313CS..EExtended strand (participates in β ladder)trans-102.3142.3161-57.7-55.5000108.7F11 W25 K26 M28 R73 A74 R87F11-Y89 HydrophobicContact CB-CG 4.28Å; W25-Y89 HydrophobicContact CB-CD2 3.93Å; W25-Y89 HydrophobicContact CB-CE2 4.15Å; K26-Y89 WeakPolarHBondContact O-CE2 3.12Å; M28-Y89 HydrophobicContact CE-CD2 3.35Å; M28-Y89 HydrophobicContact CE-CE2 3.61Å; M28-Y89 HydrophobicContact CE-CG 4.33Å; M28-Y89 HydrophobicContact CG-CE2 3.86Å; R73-Y89 CarbonylContact C-O 3.52Å; R73-Y89 VanDerWaalsContact CA-O 3.25Å; R73-Y89 WeakPolarHBondContact CA-O 2.96Å; A74-Y89 PolarHBondContact N-O 2.63Å; A74-Y89 PolarHBondContact O-N 2.63Å; R87-Y89 PolarHBondContact NE-OH 3.19Å; R87-Y89 VanDerWaalsContact NE-OH 3.08Å; R87-Y89 PolarHBondContact NH2-OH 2.91Å
90Q92.6Very high88.6Confident129 Ų12959.4 Ų59.460%0.60330%0.298SS*.EExtended strand (participates in β ladder)trans-125.8146.5-178.9-55.9-172.2-3000109.3N9 Y72 R73 T88N9-Q90 PolarHBondContact ND2-O 3.2Å; Y72-Q90 WeakPolarHBondContact O-CA 3.33Å; R73-Q90 HydrophobicContact CG-CG 4.16Å; T88-Q90 HydrophobicContact CG2-CG 3.83Å
91M89.3Confident88.6Confident32 Ų3261.9 Ų61.916%0.15831%0.305CS..EExtended strand (participates in β ladder)trans-144.6153.3168.875-177.3-44.900111.1F11 V13 F23 Y72F11-M91 HydrophobicContact CD1-CB 3.82Å; F11-M91 HydrophobicContact CD1-CG 3.58Å; F11-M91 HydrophobicContact CD1-SD 3.75Å; F11-M91 HydrophobicContact CE1-CB 4.22Å; F11-M91 HydrophobicContact CE1-CG 3.5Å; F11-M91 VanDerWaalsContact CE1-CG 3.5Å; F11-M91 HydrophobicContact CE1-SD 3.69Å; F11-M91 HydrophobicContact CG-SD 4.22Å; F11-M91 HydrophobicContact CZ-CG 4.41Å; F11-M91 HydrophobicContact CZ-SD 4.12Å; V13-M91 HydrophobicContact CG2-CE 4.23Å; V13-M91 HydrophobicContact CG2-SD 4.21Å; F23-M91 HydrophobicContact CD1-SD 3.87Å; F23-M91 HydrophobicContact CE1-SD 3.84Å; Y72-M91 PolarHBondContact N-O 3.12Å; Y72-M91 PolarHBondContact O-N 3.43Å
92T89.4Confident88.6Confident93 Ų9353.6 Ų53.657%0.57127%0.269SS*.EExtended strand (participates in β ladder)trans-107.6137.4165.651.30000108.3V69 T70 K71V69-T92 HydrophobicContact CG1-CG2 4.3Å; T70-T92 CarbonylContact O-C 3.59Å; T70-T92 VanDerWaalsContact O-CA 3.31Å; T70-T92 WeakPolarHBondContact O-CA 3.21Å; K71-T92 HydrophobicContact CG-CG2 4.04Å
93Y87.2Confident88.4Confident36 Ų3649.4 Ų49.414%0.14125%0.252CS..EExtended strand (participates in β ladder)trans-133.4124.5-178.6-170.3-103.6000109.6V13 E16 M21 T70 R95V13-Y93 HydrophobicContact CB-CD2 4.37Å; V13-Y93 HydrophobicContact CB-CE2 4.01Å; V13-Y93 HydrophobicContact CG1-CE2 4.45Å; V13-Y93 HydrophobicContact CG2-CD2 3.73Å; V13-Y93 HydrophobicContact CG2-CE2 3.82Å; V13-Y93 HydrophobicContact CG2-CG 4.09Å; E16-Y93 WeakPolarHBondContact OE1-CE1 3.4Å; E16-Y93 VanDerWaalsContact OE1-CZ 3.3Å; E16-Y93 PolarHBondContact OE1-OH 3.19Å; M21-Y93 HydrophobicContact CE-CD1 4.31Å; M21-Y93 HydrophobicContact SD-CD1 4.02Å; M21-Y93 HydrophobicContact SD-CE1 3.86Å; T70-Y93 PolarHBondContact N-O 3.18Å; T70-Y93 PolarHBondContact O-N 3.32Å; Y93-R95 HydrophobicContact CE1-CB 4.16Å; Y93-R95 HydrophobicContact CE1-CG 4.43Å
94K87.5Confident88Confident43 Ų4348.3 Ų48.319%0.18724%0.242CC..EExtended strand (participates in β ladder)trans-102.6116.2172.1-167.6179.2-177179.80107.2C67 V69 H173 L176C67-K94 WeakPolarHBondContact O-CE 3.21Å; V69-K94 HydrophobicContact CG2-CB 4.11Å; V69-K94 HydrophobicContact CG2-CD 4.16Å; V69-K94 HydrophobicContact CG2-CG 4.1Å; K94-H173 WeakPolarHBondContact CE-NE2 3.27Å; K94-H173 PolarHBondContact NZ-CE1 2.84Å; K94-H173 PolarHBondContact NZ-NE2 3.46Å; K94-L176 HydrophobicContact CB-CD1 4.3Å
95R85.5Confident87.4Confident13 Ų1349.9 Ų49.95%0.04924%0.242CC..BIsolated β-bridgetrans-81.3127.8179.6-168.6-177.681.2179.47.4109.7V63 G64 P66 C67 Y93 E119V63-R95 VanDerWaalsContact CG1-NH1 3.27Å; G64-R95 VanDerWaalsContact O-CZ 3.28Å; G64-R95 PolarHBondContact O-NE 2.79Å; G64-R95 PolarHBondContact O-NH1 2.75Å; G64-R95 VanDerWaalsContact O-NH1 3.12Å; P66-R95 CarbonylContact C-O 3.53Å; P66-R95 WeakPolarHBondContact CA-O 3.31Å; C67-R95 PolarHBondContact N-O 3.38Å; Y93-R95 HydrophobicContact CE1-CB 4.16Å; Y93-R95 HydrophobicContact CE1-CG 4.43Å; R95-E119 IonicContact CZ-OE1 3.69Å; R95-E119 IonicContact CZ-OE2 3.36Å; R95-E119 IonicContact NE-OE2 3.53Å; R95-E119 IonicContact NH1-OE1 2.67Å; R95-E119 IonicContact NH2-OE1 2.66Å; R95-E119 PolarHBondContact NH2-OE1 2.97Å; R95-E119 IonicContact NH2-OE2 3.9Å; R95-E119 PolarHBondContact NH2-OE2 3.29Å
96V86.3Confident86.6Confident3 Ų350.3 Ų50.32%0.01824%0.244CC..PPolyproline II helixtrans-78.7136.8171.7-173.60000108.8R98 N171 H173 L176V96-R98 PolarHBondContact O-N 3.21Å; V96-N171 HydrophobicContact CG1-CB 3.63Å; V96-H173 HydrophobicContact CG1-CB 3.99Å; V96-H173 HydrophobicContact CG2-CB 3.92Å; V96-L176 HydrophobicContact CG2-CB 3.78Å
97P88.3Confident85.8Confident2 Ų250.9 Ų50.91%0.01325%0.249CC..PPolyproline II helixtrans-49.2137.3176.4-27.132000111.9P66 T120 C123 N171 S178P66-P97 HydrophobicContact CB-CB 4.37Å; P66-P97 HydrophobicContact CB-CG 4.09Å; P97-T120 HydrophobicContact CB-CG2 3.81Å; P97-T120 HydrophobicContact CG-CG2 3.73Å; P97-C123 WeakPolarHBondContact CD-SG 3.48Å; P97-N171 PolarHBondContact O-ND2 2.84Å; P97-S178 WeakPolarHBondContact O-CB 3.19Å
98R85Confident84.8Confident8 Ų852.2 Ų52.23%0.0327%0.271CS..PPolyproline II helixtrans-81.5148.1-179.2-67.3172.5178.9170.7-2.4111E16 Q17 T18 V96 R118 E119E16-R98 IonicContact OE2-CZ 2.79Å; E16-R98 IonicContact OE2-NE 3.15Å; E16-R98 PolarHBondContact OE2-NE 2.83Å; E16-R98 IonicContact OE2-NH2 3.59Å; E16-R98 PolarHBondContact OE2-NH2 2.49Å; Q17-R98 PolarHBondContact O-NH1 2.82Å; Q17-R98 PolarHBondContact O-NH2 2.98Å; T18-R98 PolarHBondContact O-NH1 3.23Å; V96-R98 PolarHBondContact O-N 3.21Å; R98-R118 WeakPolarHBondContact O-CA 3.33Å; R98-E119 HydrophobicContact CB-CB 4.41Å; R98-E119 PolarHBondContact O-N 2.91Å
99I84.9Confident83.7Confident6 Ų654.3 Ų54.33%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-77.2130.7165.4-62.3-71000108.2V102 W116 E117 R118 T129 L169 N171 N184I99-V102 HydrophobicContact CG2-CG2 3.5Å; I99-V102 VanDerWaalsContact CG2-CG2 3.5Å; I99-W116 VanDerWaalsContact CD1-CD1 3.49Å; I99-W116 HydrophobicContact CD1-CG 4.28Å; I99-W116 HydrophobicContact CG2-CB 3.86Å; I99-W116 HydrophobicContact CG2-CG 4.23Å; I99-E117 WeakPolarHBondContact CA-O 3.39Å; I99-R118 HydrophobicContact CD1-CG 4.24Å; I99-T129 HydrophobicContact CD1-CG2 3.98Å; I99-L169 HydrophobicContact CG1-CB 4.44Å; I99-L169 HydrophobicContact CG2-CB 4.26Å; I99-N171 WeakPolarHBondContact CD1-ND2 3.34Å; I99-N171 VanDerWaalsContact CD1-OD1 3.32Å; I99-N171 WeakPolarHBondContact CD1-OD1 3.33Å; I99-N184 PolarHBondContact O-ND2 2.88Å
100E84.3Confident82.6Confident73 Ų7359 Ų5934%0.34131%0.305SS..EExtended strand (participates in β ladder)trans-129.5168.3180-61.9-168.9164.600110.4V102 E117 E119E100-V102 PolarHBondContact O-N 3.28Å; E100-E117 PolarHBondContact N-O 3.04Å; E100-E117 PolarHBondContact O-N 3.49Å; E100-E119 HydrophobicContact CG-CB 4.38Å
101N83.7Confident81.9Confident100 Ų10056.6 Ų56.654%0.53529%0.291SS..EExtended strand (participates in β ladder)trans46.343.8172-59-30.5000114.7E103 E117N101-E103 PolarHBondContact O-N 2.8Å; N101-E117 HydrophobicContact CB-CB 4.12Å; N101-E117 HydrophobicContact CB-CG 4.02Å; N101-E117 PolarHBondContact ND2-OE2 2.83Å
102V83.2Confident81.5Confident11 Ų1155.2 Ų55.27%0.06729%0.285CS..EExtended strand (participates in β ladder)trans-67.8123.1176.4-175.40000109.4I99 E100 V114 S115 W116 L169 F186I99-V102 HydrophobicContact CG2-CG2 3.5Å; I99-V102 VanDerWaalsContact CG2-CG2 3.5Å; E100-V102 PolarHBondContact O-N 3.28Å; V102-V114 HydrophobicContact CG1-CG1 4.16Å; V102-S115 CarbonylContact C-O 3.57Å; V102-S115 VanDerWaalsContact CA-O 3.32Å; V102-S115 WeakPolarHBondContact CA-O 3.37Å; V102-W116 HydrophobicContact CG2-CB 4Å; V102-L169 HydrophobicContact CG1-CD1 4.27Å; V102-L169 HydrophobicContact CG1-CD2 4.32Å; V102-L169 HydrophobicContact CG2-CD2 4.42Å; V102-F186 HydrophobicContact CB-CD2 4.07Å; V102-F186 HydrophobicContact CB-CE1 4.11Å; V102-F186 HydrophobicContact CB-CE2 3.49Å; V102-F186 VanDerWaalsContact CB-CE2 3.49Å; V102-F186 HydrophobicContact CB-CZ 3.53Å; V102-F186 HydrophobicContact CG1-CD2 3.89Å; V102-F186 HydrophobicContact CG1-CE2 3.84Å; V102-F186 HydrophobicContact CG1-CG 4.34Å; V102-F186 HydrophobicContact CG1-CZ 4.24Å; V102-F186 HydrophobicContact CG2-CD2 4.38Å; V102-F186 HydrophobicContact CG2-CE2 3.56Å; V102-F186 HydrophobicContact CG2-CZ 3.85Å
103E82.3Confident81.2Confident76 Ų7651.7 Ų51.736%0.35526%0.261SS..EExtended strand (participates in β ladder)trans-118.2135.3175-58.2-156.9150.400110.6N101 Q105 V114 S115 R198N101-E103 PolarHBondContact O-N 2.8Å; E103-Q105 PolarHBondContact OE2-NE2 3.26Å; E103-Q105 VanDerWaalsContact OE2-NE2 3.16Å; E103-V114 CarbonylContact O-C 3.57Å; E103-V114 WeakPolarHBondContact O-CA 3.36Å; E103-S115 PolarHBondContact N-O 2.79Å; E103-S115 PolarHBondContact O-N 3.23Å; E103-R198 IonicContact OE1-NH2 3.86Å
104I81.1Confident81.2Confident44 Ų4450 Ų5023%0.22626%0.255CS..EExtended strand (participates in β ladder)trans-119.6115.8173.3-52174.2000107.3P112 H113 V114 F167 F186 V188I104-P112 HydrophobicContact CG2-CB 4.18Å; I104-H113 CarbonylContact C-O 3.59Å; I104-H113 WeakPolarHBondContact CA-O 3.17Å; I104-V114 HydrophobicContact CG1-CG1 4.25Å; I104-V114 HydrophobicContact CG1-CG2 4.2Å; I104-V114 HydrophobicContact CG2-CG2 4.24Å; I104-F167 HydrophobicContact CD1-CD2 3.75Å; I104-F167 HydrophobicContact CD1-CE2 4.27Å; I104-F167 HydrophobicContact CD1-CG 4.35Å; I104-F186 HydrophobicContact CD1-CB 3.67Å; I104-F186 HydrophobicContact CD1-CG 4.48Å; I104-V188 HydrophobicContact CB-CG2 4.35Å; I104-V188 HydrophobicContact CD1-CG2 3.97Å; I104-V188 HydrophobicContact CG2-CG2 3.64Å
105Q78.8Confident81.4Confident94 Ų9449 Ų4944%0.43925%0.254SS..EExtended strand (participates in β ladder)trans-116136.1179.5-59.3-177.114.800108.7E103 H113E103-Q105 PolarHBondContact OE2-NE2 3.26Å; E103-Q105 VanDerWaalsContact OE2-NE2 3.16Å; Q105-H113 PolarHBondContact N-O 3.23Å; Q105-H113 PolarHBondContact O-N 3.11Å
106L76.6Confident81.6Confident71 Ų7148.8 Ų48.837%0.37225%0.253SS..EExtended strand (participates in β ladder)trans-87.5118.6174.5-16670.4000108.9L110 Y190L106-L110 WeakPolarHBondContact CD1-O 3.35Å; L106-L110 HydrophobicContact CD2-CD2 3.83Å; L106-Y190 HydrophobicContact CD1-CE1 4.4Å
107M75Confident81.7Confident64 Ų6454.1 Ų54.132%0.31528%0.278SS..  trans-73.8159.9177.9-64.3-62.6-75.700110.7N109 L110 Y111 H113 Y153M107-N109 WeakPolarHBondContact CB-OD1 3.45Å; M107-N109 PolarHBondContact O-N 3Å; M107-L110 WeakPolarHBondContact O-CA 2.96Å; M107-L110 PolarHBondContact O-N 2.99Å; M107-Y111 WeakPolarHBondContact CB-O 3.36Å; M107-Y111 PolarHBondContact N-O 3.26Å; M107-H113 HydrophobicContact CG-CB 3.68Å; M107-H113 HydrophobicContact SD-CB 3.93Å; M107-Y153 HydrophobicContact CE-CE1 4.41Å
108P72.4Confident81.6Confident131 Ų13156.8 Ų56.885%0.85129%0.287SS*.THydrogen-bonded Turntrans-56.5-24.3-178.2-27.935.6000115.2L110P108-L110 VanDerWaalsContact C-N 3.25Å; P108-L110 PolarHBondContact O-N 3.18Å
109N71.3Confident81.7Confident96 Ų9659.8 Ų59.851%0.51330%0.302SS..THydrogen-bonded Turntrans-87.115174.956.3-1.2000113.5M107 Y111M107-N109 WeakPolarHBondContact CB-OD1 3.45Å; M107-N109 PolarHBondContact O-N 3Å; N109-Y111 HydrophobicContact CB-CD2 3.96Å; N109-Y111 HydrophobicContact CB-CE2 4Å; N109-Y111 VanDerWaalsContact ND2-CD2 3.33Å; N109-Y111 WeakPolarHBondContact ND2-CD2 2.95Å; N109-Y111 PolarHBondContact O-N 3.22Å
110L70.9Confident81.9Confident113 Ų11362.1 Ų62.159%0.59232%0.317SS*.SBendtrans63.715.8178.1-55.9174.1000115.3L106 M107 P108L106-L110 WeakPolarHBondContact CD1-O 3.35Å; L106-L110 HydrophobicContact CD2-CD2 3.83Å; M107-L110 WeakPolarHBondContact O-CA 2.96Å; M107-L110 PolarHBondContact O-N 2.99Å; P108-L110 VanDerWaalsContact C-N 3.25Å; P108-L110 PolarHBondContact O-N 3.18Å
111Y76.6Confident82.1Confident80 Ų8062.9 Ų62.931%0.31433%0.33SS..PPolyproline II helixtrans-91.2137.9170.3-55.3-61.7000111M107 N109 H113 N155M107-Y111 WeakPolarHBondContact CB-O 3.36Å; M107-Y111 PolarHBondContact N-O 3.26Å; N109-Y111 HydrophobicContact CB-CD2 3.96Å; N109-Y111 HydrophobicContact CB-CE2 4Å; N109-Y111 VanDerWaalsContact ND2-CD2 3.33Å; N109-Y111 WeakPolarHBondContact ND2-CD2 2.95Å; N109-Y111 PolarHBondContact O-N 3.22Å; Y111-H113 PolarHBondContact O-N 2.94Å; Y111-N155 HydrophobicContact CD1-CB 4.42Å; Y111-N155 HydrophobicContact CD2-CB 4.08Å; Y111-N155 WeakPolarHBondContact CE1-O 3.26Å; Y111-N155 HydrophobicContact CE2-CB 4.43Å; Y111-N155 HydrophobicContact CG-CB 4.1Å
112P81Confident82.4Confident3 Ų359.4 Ų59.42%0.01932%0.315CS..EExtended strand (participates in β ladder)trans-63.9129.9170.2-19.129.3000111.2I104 A154 E165 F167 Y190I104-P112 HydrophobicContact CG2-CB 4.18Å; P112-A154 HydrophobicContact CB-CB 4.08Å; P112-A154 HydrophobicContact CG-CB 4.3Å; P112-A154 VanDerWaalsContact O-CB 3.28Å; P112-A154 WeakPolarHBondContact O-CB 3.25Å; P112-A154 PolarHBondContact O-N 3.2Å; P112-E165 VanDerWaalsContact CG-OE2 3.31Å; P112-E165 WeakPolarHBondContact CG-OE2 3.33Å; P112-F167 HydrophobicContact CB-CZ 4.09Å; P112-F167 HydrophobicContact CG-CZ 4.31Å; P112-Y190 WeakPolarHBondContact CG-OH 3.39Å
113H83.7Confident82.7Confident18 Ų1860.3 Ų60.38%0.08332%0.322CS..EExtended strand (participates in β ladder)trans-100.5117.8160.8171.3-130.6000107.8I104 Q105 M107 Y111 E151 Y153I104-H113 CarbonylContact C-O 3.59Å; I104-H113 WeakPolarHBondContact CA-O 3.17Å; Q105-H113 PolarHBondContact N-O 3.23Å; Q105-H113 PolarHBondContact O-N 3.11Å; M107-H113 HydrophobicContact CG-CB 3.68Å; M107-H113 HydrophobicContact SD-CB 3.93Å; Y111-H113 PolarHBondContact O-N 2.94Å; H113-E151 WeakPolarHBondContact NE2-CB 3.42Å; H113-E151 IonicContact NE2-OE2 3.32Å; H113-Y153 HydrophobicContact CB-CD1 4.22Å; H113-Y153 HydrophobicContact CB-CE1 4.29Å; H113-Y153 AromaticContact CD2-CD1 3.84Å; H113-Y153 AromaticContact CD2-CE1 3.55Å; H113-Y153 AromaticContact CD2-CZ 3.72Å; H113-Y153 AromaticContact CG-CE1 3.9Å; H113-Y153 AromaticContact NE2-CZ 3.87Å
114V87.5Confident83.2Confident0 Ų061 Ų610%033%0.325CS..EExtended strand (participates in β ladder)trans-108.5124.6178.6-174.10000107.9V102 E103 I104 W116 E151 Y152 F167 L169V102-V114 HydrophobicContact CG1-CG1 4.16Å; E103-V114 CarbonylContact O-C 3.57Å; E103-V114 WeakPolarHBondContact O-CA 3.36Å; I104-V114 HydrophobicContact CG1-CG1 4.25Å; I104-V114 HydrophobicContact CG1-CG2 4.2Å; I104-V114 HydrophobicContact CG2-CG2 4.24Å; V114-W116 HydrophobicContact CG1-CE3 4.38Å; V114-E151 CarbonylContact O-C 3.55Å; V114-E151 VanDerWaalsContact O-CA 3.3Å; V114-E151 WeakPolarHBondContact O-CA 3.49Å; V114-Y152 PolarHBondContact N-O 2.75Å; V114-Y152 PolarHBondContact O-N 3.47Å; V114-F167 HydrophobicContact CG2-CD1 3.91Å; V114-F167 HydrophobicContact CG2-CE1 3.61Å; V114-F167 HydrophobicContact CG2-CE2 4.42Å; V114-F167 HydrophobicContact CG2-CG 4.42Å; V114-F167 HydrophobicContact CG2-CZ 3.9Å; V114-L169 HydrophobicContact CG1-CD2 4.31Å
115S89.8Confident83.5Confident24 Ų2464.4 Ų64.417%0.16835%0.353CS..EExtended strand (participates in β ladder)trans-126.4156.2173.757.30000109.9V102 E103 A150V102-S115 CarbonylContact C-O 3.57Å; V102-S115 VanDerWaalsContact CA-O 3.32Å; V102-S115 WeakPolarHBondContact CA-O 3.37Å; E103-S115 PolarHBondContact N-O 2.79Å; E103-S115 PolarHBondContact O-N 3.23Å; S115-A150 CarbonylContact C-O 3.46Å; S115-A150 VanDerWaalsContact CA-O 3.3Å; S115-A150 WeakPolarHBondContact CA-O 3.16Å
116W89.7Confident84Confident8 Ų865.1 Ų65.13%0.0336%0.364CS..EExtended strand (participates in β ladder)trans-152.9161.1-178.56389000111.4I99 V102 V114 T129 I131 Q149 A150 L169I99-W116 VanDerWaalsContact CD1-CD1 3.49Å; I99-W116 HydrophobicContact CD1-CG 4.28Å; I99-W116 HydrophobicContact CG2-CB 3.86Å; I99-W116 HydrophobicContact CG2-CG 4.23Å; V102-W116 HydrophobicContact CG2-CB 4Å; V114-W116 HydrophobicContact CG1-CE3 4.38Å; W116-T129 HydrophobicContact CZ2-CG2 3.81Å; W116-I131 HydrophobicContact CE3-CD1 4.32Å; W116-I131 HydrophobicContact CH2-CD1 3.75Å; W116-I131 HydrophobicContact CZ3-CD1 3.61Å; W116-Q149 VanDerWaalsContact CZ2-O 3.27Å; W116-Q149 WeakPolarHBondContact CZ2-O 3.43Å; W116-A150 PolarHBondContact N-O 2.9Å; W116-L169 HydrophobicContact CB-CD2 4.24Å; W116-L169 HydrophobicContact CD2-CD2 3.9Å; W116-L169 HydrophobicContact CE3-CD2 3.75Å; W116-L169 HydrophobicContact CG-CD2 4.13Å; W116-L169 HydrophobicContact CZ3-CD2 4.46Å
117E89.1Confident84.7Confident115 Ų11562.1 Ų62.154%0.53735%0.348SS..EExtended strand (participates in β ladder)trans-115174.1171.1-62.5-177.7178.800110.2I99 E100 N101I99-E117 WeakPolarHBondContact CA-O 3.39Å; E100-E117 PolarHBondContact N-O 3.04Å; E100-E117 PolarHBondContact O-N 3.49Å; N101-E117 HydrophobicContact CB-CB 4.12Å; N101-E117 HydrophobicContact CB-CG 4.02Å; N101-E117 PolarHBondContact ND2-OE2 2.83Å
118R86.8Confident85.5Confident57 Ų5759.6 Ų59.622%0.21534%0.336CS..EExtended strand (participates in β ladder)trans-125.7144.3172-58.3-173-155.291.511.5109.2R98 I99 T120 S147 Q149R98-R118 WeakPolarHBondContact O-CA 3.33Å; I99-R118 HydrophobicContact CD1-CG 4.24Å; R118-T120 WeakPolarHBondContact CB-O 3.41Å; R118-T120 PolarHBondContact O-N 2.98Å; R118-T120 VanDerWaalsContact O-N 3.13Å; R118-S147 PolarHBondContact NH1-O 3.31Å; R118-S147 VanDerWaalsContact NH2-C 3.28Å; R118-S147 PolarHBondContact NH2-O 3.18Å; R118-Q149 PolarHBondContact NH2-O 2.82Å
119E86.2Confident86.3Confident71 Ų7153.3 Ų53.333%0.33230%0.296SS..SBendtrans-52.7-34.3173.1-177-173.7-163.200112.1R95 R98 E100R95-E119 IonicContact CZ-OE1 3.69Å; R95-E119 IonicContact CZ-OE2 3.36Å; R95-E119 IonicContact NE-OE2 3.53Å; R95-E119 IonicContact NH1-OE1 2.67Å; R95-E119 IonicContact NH2-OE1 2.66Å; R95-E119 PolarHBondContact NH2-OE1 2.97Å; R95-E119 IonicContact NH2-OE2 3.9Å; R95-E119 PolarHBondContact NH2-OE2 3.29Å; R98-E119 HydrophobicContact CB-CB 4.41Å; R98-E119 PolarHBondContact O-N 2.91Å; E100-E119 HydrophobicContact CG-CB 4.38Å
120T89.3Confident87.1Confident56 Ų5648.9 Ų48.934%0.34427%0.272SS..SBendtrans-153.1176.5173.8-168.30000110.8P66 P97 R118P66-T120 HydrophobicContact CB-CG2 3.59Å; P66-T120 HydrophobicContact CG-CG2 3.35Å; P97-T120 HydrophobicContact CB-CG2 3.81Å; P97-T120 HydrophobicContact CG-CG2 3.73Å; R118-T120 WeakPolarHBondContact CB-O 3.41Å; R118-T120 PolarHBondContact O-N 2.98Å; R118-T120 VanDerWaalsContact O-N 3.13Å
121S89.5Confident87.9Confident88 Ų8843.5 Ų43.562%0.61524%0.244SC*.  trans-58.9157.3171.8560000111.5
122A90.2Very high88.4Confident27 Ų2740.8 Ų40.822%0.22323%0.233CC..  trans-54152.7170.700000111.8E124 D127A122-E124 VanDerWaalsContact C-N 3.34Å; A122-E124 WeakPolarHBondContact CB-O 3.42Å; A122-D127 HydrophobicContact CB-CB 3.91Å
123C89.5Confident88.6Confident31 Ų3140.9 Ų40.921%0.20923%0.234CC..SBendtrans-70.3-39.6177-56.80000110.4C67 P97 D127C67-C123 WeakPolarHBondContact CA-SG 3.26Å; C67-C123 HydrophobicContact CB-CB 3.71Å; C67-C123 WeakPolarHBondContact CB-SG 3.34Å; C67-C123 WeakPolarHBondContact SG-CA 3.15Å; C67-C123 WeakPolarHBondContact SG-CB 3.43Å; C67-C123 CovalentContact SG-SG 2.03Å; C67-C123 PolarHBondContact SG-SG 2.72Å; P97-C123 WeakPolarHBondContact CD-SG 3.48Å; C123-D127 WeakPolarHBondContact CA-OD2 3.38Å; C123-D127 WeakPolarHBondContact CB-OD2 3.46Å; C123-D127 PolarHBondContact N-OD2 3.34Å
124E91Very high88.6Confident90 Ų9040.4 Ų40.442%0.42123%0.233SC..SBendtrans-139.2158.2177.2-64-173.2-17400111A122 T126 D127A122-E124 VanDerWaalsContact C-N 3.34Å; A122-E124 WeakPolarHBondContact CB-O 3.42Å; E124-T126 PolarHBondContact O-N 3.34Å; E124-D127 PolarHBondContact N-OD2 3.46Å; E124-D127 VanDerWaalsContact O-CB 3.29Å; E124-D127 WeakPolarHBondContact O-CB 3.23Å; E124-D127 PolarHBondContact O-N 3.12Å; E124-D127 VanDerWaalsContact O-N 3.11Å
125S87.6Confident88.3Confident116 Ų11640.9 Ų40.981%0.81124%0.236SC*.THydrogen-bonded Turntrans-66.4-17.5178.556.40000113.5D127S125-D127 VanDerWaalsContact C-N 3.3Å
126T89.8Confident87.4Confident109 Ų10941.7 Ų41.767%0.66924%0.241SC*.THydrogen-bonded Turntrans-83.1-7.3176.247.60000113.2E124E124-T126 PolarHBondContact O-N 3.34Å
127D90.7Very high86.7Confident8 Ų853.4 Ų53.44%0.04329%0.285CS..  trans-63.8151.9177.9-63.9-3.6000110.1A122 C123 E124 S125 S147 E172 H173A122-D127 HydrophobicContact CB-CB 3.91Å; C123-D127 WeakPolarHBondContact CA-OD2 3.38Å; C123-D127 WeakPolarHBondContact CB-OD2 3.46Å; C123-D127 PolarHBondContact N-OD2 3.34Å; E124-D127 PolarHBondContact N-OD2 3.46Å; E124-D127 VanDerWaalsContact O-CB 3.29Å; E124-D127 WeakPolarHBondContact O-CB 3.23Å; E124-D127 PolarHBondContact O-N 3.12Å; E124-D127 VanDerWaalsContact O-N 3.11Å; S125-D127 VanDerWaalsContact C-N 3.3Å; D127-S147 WeakPolarHBondContact O-CB 3.32Å; D127-S147 PolarHBondContact O-N 3.25Å; D127-S147 VanDerWaalsContact O-N 3.13Å; D127-S147 PolarHBondContact O-OG 2.78Å; D127-E172 WeakPolarHBondContact CA-O 3.45Å; D127-E172 WeakPolarHBondContact CB-O 2.97Å; D127-H173 VanDerWaalsContact CG-ND1 3.34Å; D127-H173 IonicContact OD1-CE1 3.9Å; D127-H173 IonicContact OD1-CG 3.26Å; D127-H173 IonicContact OD1-ND1 3.81Å; D127-H173 PolarHBondContact OD1-ND1 3Å; D127-H173 IonicContact OD2-CG 2.93Å; D127-H173 IonicContact OD2-ND1 3.67Å; D127-H173 PolarHBondContact OD2-ND1 2.8Å
128S91.6Very high86.2Confident10 Ų1053 Ų537%0.0728%0.283CS..EExtended strand (participates in β ladder)trans-128156.2-177.5880000110.8F145 N171 E172S128-F145 CarbonylContact C-O 3.52Å; S128-F145 VanDerWaalsContact CA-O 3.24Å; S128-F145 WeakPolarHBondContact CA-O 3.15Å; S128-F145 WeakPolarHBondContact CB-O 3.12Å; S128-N171 CarbonylContact O-C 3.59Å; S128-N171 WeakPolarHBondContact O-CA 3.45Å; S128-E172 PolarHBondContact N-O 3.13Å; S128-E172 PolarHBondContact O-N 2.88Å; S128-E172 WeakPolarHBondContact OG-CB 3.46Å; S128-E172 PolarHBondContact OG-OE2 3.02Å
129T90.6Very high85.9Confident0 Ų058.7 Ų58.70%031%0.312CS..EExtended strand (participates in β ladder)trans-105127.2163.2-620000107.6I99 W116 F145 N171I99-T129 HydrophobicContact CD1-CG2 3.98Å; W116-T129 HydrophobicContact CZ2-CG2 3.81Å; T129-F145 PolarHBondContact N-O 2.92Å; T129-F145 PolarHBondContact O-N 3.43Å; T129-N171 PolarHBondContact OG1-OD1 2.89Å
130I88.6Confident85.8Confident2 Ų257.6 Ų57.61%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-105.9132.5177.4-62.5174.5000108.8M142 F143 I144 L169 F170 E172 F177I130-M142 HydrophobicContact CG2-CG 3.62Å; I130-M142 HydrophobicContact CG2-SD 4.27Å; I130-F143 WeakPolarHBondContact CA-O 3.46Å; I130-I144 HydrophobicContact CG1-CG1 4.26Å; I130-I144 HydrophobicContact CG1-CG2 4.46Å; I130-L169 WeakPolarHBondContact O-CA 3.24Å; I130-F170 HydrophobicContact CB-CD2 3.87Å; I130-F170 HydrophobicContact CB-CE1 4.37Å; I130-F170 HydrophobicContact CB-CE2 3.38Å; I130-F170 HydrophobicContact CB-CZ 3.63Å; I130-F170 HydrophobicContact CD1-CD2 4.37Å; I130-F170 HydrophobicContact CD1-CE2 3.6Å; I130-F170 HydrophobicContact CD1-CZ 4.33Å; I130-F170 HydrophobicContact CG1-CE2 3.99Å; I130-F170 HydrophobicContact CG2-CD2 4.5Å; I130-F170 HydrophobicContact CG2-CE1 4.08Å; I130-F170 HydrophobicContact CG2-CE2 3.61Å; I130-F170 HydrophobicContact CG2-CZ 3.32Å; I130-F170 PolarHBondContact N-O 3.12Å; I130-F170 PolarHBondContact O-N 2.93Å; I130-E172 HydrophobicContact CD1-CB 3.84Å; I130-E172 HydrophobicContact CD1-CG 4.29Å; I130-E172 HydrophobicContact CG1-CB 4.37Å; I130-F177 HydrophobicContact CD1-CD1 4.32Å; I130-F177 HydrophobicContact CD1-CE1 3.72Å
131I87.7Confident85.6Confident0 Ų061.6 Ų61.60%032%0.317CS..EExtended strand (participates in β ladder)trans-117.1118.5172.7-52.1-171.8000107.9W116 R133 F143 F145 Y152 F167 I168 L169W116-I131 HydrophobicContact CE3-CD1 4.32Å; W116-I131 HydrophobicContact CH2-CD1 3.75Å; W116-I131 HydrophobicContact CZ3-CD1 3.61Å; I131-R133 HydrophobicContact CG2-CB 4.47Å; I131-F143 PolarHBondContact N-O 3.08Å; I131-F143 PolarHBondContact O-N 2.07Å; I131-F145 HydrophobicContact CB-CE2 4.1Å; I131-F145 HydrophobicContact CD1-CD2 3.94Å; I131-F145 HydrophobicContact CD1-CE2 3.59Å; I131-F145 HydrophobicContact CG1-CD2 3.92Å; I131-F145 HydrophobicContact CG1-CE2 3.74Å; I131-Y152 HydrophobicContact CD1-CD1 4.38Å; I131-Y152 HydrophobicContact CD1-CG 4.39Å; I131-F167 HydrophobicContact CG2-CD1 4.16Å; I131-I168 WeakPolarHBondContact CA-O 3.36Å; I131-L169 HydrophobicContact CD1-CD2 4.09Å; I131-L169 HydrophobicContact CD1-CG 4.34Å; I131-L169 HydrophobicContact CG1-CD2 4.23Å; I131-L169 HydrophobicContact CG1-CG 4.04Å; I131-L169 HydrophobicContact CG2-CG 4.35Å
132F87.1Confident85.5Confident23 Ų2362 Ų6210%0.10131%0.311CS..EExtended strand (participates in β ladder)trans-88129.7158.9-66.9-70.1000109.5L140 R141 M142 F167 I168 F170 I223F132-L140 HydrophobicContact CB-CB 3.86Å; F132-L140 HydrophobicContact CB-CD1 3.8Å; F132-L140 HydrophobicContact CB-CG 4.49Å; F132-L140 HydrophobicContact CD1-CB 4.38Å; F132-L140 HydrophobicContact CG-CB 4.48Å; F132-R141 CarbonylContact C-O 3.55Å; F132-R141 VanDerWaalsContact CA-O 3.31Å; F132-R141 WeakPolarHBondContact CA-O 3.4Å; F132-M142 HydrophobicContact CD1-CB 3.89Å; F132-M142 HydrophobicContact CD1-CG 4.28Å; F132-M142 HydrophobicContact CE1-CB 3.72Å; F132-M142 HydrophobicContact CE1-CE 3.41Å; F132-M142 VanDerWaalsContact CE1-CE 3.41Å; F132-M142 HydrophobicContact CE1-CG 3.91Å; F132-M142 HydrophobicContact CZ-CE 3.41Å; F132-M142 VanDerWaalsContact CZ-CE 3.41Å; F132-F167 WeakPolarHBondContact O-CA 3.37Å; F132-I168 HydrophobicContact CB-CB 4.22Å; F132-I168 PolarHBondContact N-O 2.86Å; F132-I168 PolarHBondContact O-N 2.72Å; F132-F170 AromaticContact CD2-CE1 3.37Å; F132-F170 HydrophobicContact CD2-CE1 3.37Å; F132-F170 AromaticContact CD2-CZ 3.76Å; F132-F170 HydrophobicContact CD2-CZ 3.76Å; F132-F170 AromaticContact CE2-CE1 3.24Å; F132-F170 HydrophobicContact CE2-CE1 3.24Å; F132-F170 AromaticContact CE2-CZ 3.18Å; F132-F170 HydrophobicContact CE2-CZ 3.18Å; F132-F170 HydrophobicContact CZ-CE1 4.37Å; F132-F170 AromaticContact CZ-CZ 3.93Å; F132-F170 HydrophobicContact CZ-CZ 3.93Å; F132-I223 HydrophobicContact CE2-CD1 3.96Å; F132-I223 HydrophobicContact CZ-CD1 4.1Å; F132-I223 HydrophobicContact CZ-CG1 4.5Å
133R85.2Confident85.5Confident6 Ų662.9 Ų62.92%0.02331%0.309CS..EExtended strand (participates in β ladder)trans-134.9140-179.9175.8-167.8176-157.99.9111.1I131 L140 R141 F143 Y152 A154 D156 E165 V166 F167I131-R133 HydrophobicContact CG2-CB 4.47Å; R133-L140 CarbonylContact O-C 3.55Å; R133-L140 WeakPolarHBondContact O-CA 3.22Å; R133-R141 PolarHBondContact N-O 2.78Å; R133-R141 PolarHBondContact O-N 2.93Å; R133-F143 HydrophobicContact CB-CD2 4.27Å; R133-F143 HydrophobicContact CB-CE2 3.96Å; R133-Y152 PolarHBondContact NH1-OH 3.36Å; R133-A154 VanDerWaalsContact NH2-CB 3.32Å; R133-A154 PolarHBondContact NH2-O 3.37Å; R133-A154 VanDerWaalsContact NH2-O 3.12Å; R133-D156 IonicContact CZ-OD1 3.75Å; R133-D156 IonicContact NH1-OD1 2.88Å; R133-D156 PolarHBondContact NH1-OD1 2.9Å; R133-D156 IonicContact NH1-OD2 3.55Å; R133-E165 IonicContact CZ-OE1 2.6Å; R133-E165 IonicContact NE-OE1 3.77Å; R133-E165 PolarHBondContact NE-OE1 2.86Å; R133-E165 IonicContact NH2-OE1 2.72Å; R133-E165 PolarHBondContact NH2-OE1 2.94Å; R133-V166 WeakPolarHBondContact CA-O 3.38Å; R133-F167 HydrophobicContact CB-CD1 4.15Å; R133-F167 HydrophobicContact CB-CE1 4.22Å; R133-F167 HydrophobicContact CG-CD1 4Å; R133-F167 HydrophobicContact CG-CE1 3.62Å; R133-F167 HydrophobicContact CG-CZ 4.17Å
134G83.4Confident85.6Confident8 Ų866.5 Ų66.58%0.08233%0.325CS..EExtended strand (participates in β ladder)trans173.7-168.8171.500000111.2E165 V166G134-E165 CarbonylContact O-C 3.52Å; G134-E165 WeakPolarHBondContact O-CA 3.17Å; G134-V166 PolarHBondContact N-O 2.65Å; G134-V166 PolarHBondContact O-N 3.46Å
135F79.9Confident85.6Confident10 Ų1063.3 Ų63.34%0.04431%0.31CS..EExtended strand (participates in β ladder)trans-92.4151.9176-63.6-64.7000112.1R137 Q138 F157 P159 M163 E164 E165F135-R137 PolarHBondContact O-N 2.85Å; F135-Q138 HydrophobicContact CB-CB 4.45Å; F135-Q138 HydrophobicContact CB-CG 4.23Å; F135-Q138 PolarHBondContact O-N 3.07Å; F135-F157 HydrophobicContact CD2-CE1 4.21Å; F135-F157 AromaticContact CE2-CD1 3.56Å; F135-F157 HydrophobicContact CE2-CD1 3.56Å; F135-F157 AromaticContact CE2-CE1 3.52Å; F135-F157 HydrophobicContact CE2-CE1 3.52Å; F135-F157 AromaticContact CZ-CD1 3.9Å; F135-F157 HydrophobicContact CZ-CD1 3.9Å; F135-F157 HydrophobicContact CZ-CE1 4.33Å; F135-P159 HydrophobicContact CE1-CB 4.3Å; F135-P159 HydrophobicContact CZ-CB 4.3Å; F135-M163 HydrophobicContact CD1-CB 3.54Å; F135-M163 HydrophobicContact CD1-CG 4.37Å; F135-M163 HydrophobicContact CD1-SD 4.11Å; F135-M163 HydrophobicContact CD2-SD 3.86Å; F135-M163 HydrophobicContact CE1-CB 3.81Å; F135-M163 HydrophobicContact CE1-SD 4.17Å; F135-M163 HydrophobicContact CE2-SD 3.89Å; F135-M163 HydrophobicContact CG-CB 4.15Å; F135-M163 HydrophobicContact CG-SD 3.97Å; F135-M163 HydrophobicContact CZ-SD 4.07Å; F135-E164 CarbonylContact C-O 3.57Å; F135-E164 VanDerWaalsContact CA-O 3.27Å; F135-E164 WeakPolarHBondContact CA-O 3.39Å; F135-E165 HydrophobicContact CD1-CB 4.28Å; F135-E165 HydrophobicContact CE1-CB 4.2Å; F135-E165 HydrophobicContact CE1-CG 4.49Å
136S72.2Confident85.9Confident41 Ų4161 Ų6129%0.28729%0.293SS..THydrogen-bonded Turntrans-52.8132.6171.670.60000109.3Q138 E164S136-Q138 VanDerWaalsContact C-N 3.29Å; S136-Q138 PolarHBondContact O-N 2.85Å; S136-E164 PolarHBondContact N-O 2.87Å
137R74.5Confident85.8Confident254 Ų25456.6 Ų56.696%0.95827%0.266SS*.THydrogen-bonded Turntrans73.42.9-176.2-44.5170.7-178.5-176.10.2116.4F135F135-R137 PolarHBondContact O-N 2.85Å
138Q78.4Confident85.7Confident106 Ų10662.6 Ų62.650%0.49530%0.298SS..SBendtrans-108.8165173.1-60-175.522.200111.3F135 S136 L140F135-Q138 HydrophobicContact CB-CB 4.45Å; F135-Q138 HydrophobicContact CB-CG 4.23Å; F135-Q138 PolarHBondContact O-N 3.07Å; S136-Q138 VanDerWaalsContact C-N 3.29Å; S136-Q138 PolarHBondContact O-N 2.85Å; Q138-L140 PolarHBondContact O-N 2.89Å
139H80.5Confident85.7Confident177 Ų17765.1 Ų65.182%0.81931%0.309SS*.PPolyproline II helixtrans-64.2132.9171.2-71.1-84.2000109.9
140L83.7Confident85.7Confident48 Ų4867.1 Ų67.125%0.25133%0.326SS..PPolyproline II helixtrans-82137.7174.1-50.8179.8000109.1F132 R133 Q138 V166 I168 I219F132-L140 HydrophobicContact CB-CB 3.86Å; F132-L140 HydrophobicContact CB-CD1 3.8Å; F132-L140 HydrophobicContact CB-CG 4.49Å; F132-L140 HydrophobicContact CD1-CB 4.38Å; F132-L140 HydrophobicContact CG-CB 4.48Å; R133-L140 CarbonylContact O-C 3.55Å; R133-L140 WeakPolarHBondContact O-CA 3.22Å; Q138-L140 PolarHBondContact O-N 2.89Å; L140-V166 HydrophobicContact CD2-CB 4.46Å; L140-I168 HydrophobicContact CD1-CD1 3.69Å; L140-I168 HydrophobicContact CD1-CG1 4.33Å; L140-I219 HydrophobicContact CD1-CD1 4.29Å
141R86.7Confident85.9Confident140 Ų14071.3 Ų71.353%0.52835%0.345SS..EExtended strand (participates in β ladder)trans-84.6138.2169.4-66.6-176-177.9179.13109.2F132 R133 F143F132-R141 CarbonylContact C-O 3.55Å; F132-R141 VanDerWaalsContact CA-O 3.31Å; F132-R141 WeakPolarHBondContact CA-O 3.4Å; R133-R141 PolarHBondContact N-O 2.78Å; R133-R141 PolarHBondContact O-N 2.93Å; R141-F143 HydrophobicContact CB-CD2 4.45Å; R141-F143 HydrophobicContact CB-CE2 3.64Å; R141-F143 HydrophobicContact CB-CZ 4.04Å
142M87.7Confident85.9Confident97 Ų9772.3 Ų72.348%0.47835%0.349SS..EExtended strand (participates in β ladder)trans-90.3134174.9-173.5-171.4-78.300109.7I130 F132 I144I130-M142 HydrophobicContact CG2-CG 3.62Å; I130-M142 HydrophobicContact CG2-SD 4.27Å; F132-M142 HydrophobicContact CD1-CB 3.89Å; F132-M142 HydrophobicContact CD1-CG 4.28Å; F132-M142 HydrophobicContact CE1-CB 3.72Å; F132-M142 HydrophobicContact CE1-CE 3.41Å; F132-M142 VanDerWaalsContact CE1-CE 3.41Å; F132-M142 HydrophobicContact CE1-CG 3.91Å; F132-M142 HydrophobicContact CZ-CE 3.41Å; F132-M142 VanDerWaalsContact CZ-CE 3.41Å; M142-I144 HydrophobicContact CG-CG1 4.29Å; M142-I144 HydrophobicContact SD-CD1 4.16Å; M142-I144 HydrophobicContact SD-CG1 4.18Å
143F90Very high86Confident45 Ų4576.3 Ų76.320%0.19736%0.364CS..EExtended strand (participates in β ladder)trans-124.7134.8170.9-59.6-93.7000108.1I130 I131 R133 R141 F145I130-F143 WeakPolarHBondContact CA-O 3.46Å; I131-F143 PolarHBondContact N-O 3.08Å; I131-F143 PolarHBondContact O-N 2.07Å; R133-F143 HydrophobicContact CB-CD2 4.27Å; R133-F143 HydrophobicContact CB-CE2 3.96Å; R141-F143 HydrophobicContact CB-CD2 4.45Å; R141-F143 HydrophobicContact CB-CE2 3.64Å; R141-F143 HydrophobicContact CB-CZ 4.04Å; F143-F145 HydrophobicContact CB-CD2 4.41Å; F143-F145 HydrophobicContact CB-CE2 3.46Å; F143-F145 VanDerWaalsContact CB-CE2 3.46Å; F143-F145 HydrophobicContact CB-CZ 3.68Å; F143-F145 HydrophobicContact CG-CZ 4.46Å
144I90.8Very high85.9Confident106 Ų10676 Ų7654%0.54436%0.363SS..EExtended strand (participates in β ladder)trans-116124.9-178.1-52.8179.3000107.4I130 M142I130-I144 HydrophobicContact CG1-CG1 4.26Å; I130-I144 HydrophobicContact CG1-CG2 4.46Å; M142-I144 HydrophobicContact CG-CG1 4.29Å; M142-I144 HydrophobicContact SD-CD1 4.16Å; M142-I144 HydrophobicContact SD-CG1 4.18Å
145F91.9Very high85.6Confident24 Ų2480.7 Ų80.711%0.10539%0.386CS..EExtended strand (participates in β ladder)trans-119.7147.7-179.9-59.3-77.8000109.9S128 T129 I131 F143 Q149 Y152S128-F145 CarbonylContact C-O 3.52Å; S128-F145 VanDerWaalsContact CA-O 3.24Å; S128-F145 WeakPolarHBondContact CA-O 3.15Å; S128-F145 WeakPolarHBondContact CB-O 3.12Å; T129-F145 PolarHBondContact N-O 2.92Å; T129-F145 PolarHBondContact O-N 3.43Å; I131-F145 HydrophobicContact CB-CE2 4.1Å; I131-F145 HydrophobicContact CD1-CD2 3.94Å; I131-F145 HydrophobicContact CD1-CE2 3.59Å; I131-F145 HydrophobicContact CG1-CD2 3.92Å; I131-F145 HydrophobicContact CG1-CE2 3.74Å; F143-F145 HydrophobicContact CB-CD2 4.41Å; F143-F145 HydrophobicContact CB-CE2 3.46Å; F143-F145 VanDerWaalsContact CB-CE2 3.46Å; F143-F145 HydrophobicContact CB-CZ 3.68Å; F143-F145 HydrophobicContact CG-CZ 4.46Å; F145-Q149 HydrophobicContact CB-CB 4.33Å; F145-Q149 VanDerWaalsContact CD1-CD 3.48Å; F145-Y152 AromaticContact CE1-CD2 3.66Å; F145-Y152 HydrophobicContact CE1-CD2 3.66Å; F145-Y152 HydrophobicContact CE1-CE2 4.15Å; F145-Y152 HydrophobicContact CE1-CG 4.42Å; F145-Y152 HydrophobicContact CE2-CD2 4.22Å; F145-Y152 HydrophobicContact CE2-CG 4.32Å; F145-Y152 AromaticContact CZ-CD2 3.25Å; F145-Y152 HydrophobicContact CZ-CD2 3.25Å; F145-Y152 AromaticContact CZ-CE2 3.62Å; F145-Y152 HydrophobicContact CZ-CE2 3.62Å; F145-Y152 AromaticContact CZ-CG 3.76Å; F145-Y152 HydrophobicContact CZ-CG 3.76Å
146P92.4Very high85.2Confident68 Ų6883.6 Ų83.644%0.44240%0.402SS..EExtended strand (participates in β ladder)trans-65153.1173.131.2-36.2000110.7D148 Q149P146-D148 VanDerWaalsContact CB-OD1 3.24Å; P146-D148 WeakPolarHBondContact CB-OD1 3.33Å; P146-D148 VanDerWaalsContact CG-OD1 3.24Å; P146-D148 WeakPolarHBondContact CG-OD1 3.02Å; P146-D148 PolarHBondContact O-N 3.14Å; P146-D148 VanDerWaalsContact O-N 3.1Å; P146-Q149 HydrophobicContact CG-CB 4.12Å; P146-Q149 WeakPolarHBondContact O-CB 3.12Å; P146-Q149 PolarHBondContact O-N 3.22Å
147S87.6Confident85Confident15 Ų1584.1 Ų84.111%0.10540%0.399CS..THydrogen-bonded Turntrans-68.5-1.2-17853.60000115.6R118 D127R118-S147 PolarHBondContact NH1-O 3.31Å; R118-S147 VanDerWaalsContact NH2-C 3.28Å; R118-S147 PolarHBondContact NH2-O 3.18Å; D127-S147 WeakPolarHBondContact O-CB 3.32Å; D127-S147 PolarHBondContact O-N 3.25Å; D127-S147 VanDerWaalsContact O-N 3.13Å; D127-S147 PolarHBondContact O-OG 2.78Å
148D88.5Confident84.6Confident135 Ų13580.4 Ų80.472%0.72239%0.393SS*.THydrogen-bonded Turntrans-93.1-14.2169.561.4-19.9000112.5P146P146-D148 VanDerWaalsContact CB-OD1 3.24Å; P146-D148 WeakPolarHBondContact CB-OD1 3.33Å; P146-D148 VanDerWaalsContact CG-OD1 3.24Å; P146-D148 WeakPolarHBondContact CG-OD1 3.02Å; P146-D148 PolarHBondContact O-N 3.14Å; P146-D148 VanDerWaalsContact O-N 3.1Å
149Q92.8Very high84Confident62 Ų6277.8 Ų77.829%0.2939%0.385SS..  trans-83.1133.7176.4-171.7171.4-19.800111.4W116 R118 F145 P146 E151W116-Q149 VanDerWaalsContact CZ2-O 3.27Å; W116-Q149 WeakPolarHBondContact CZ2-O 3.43Å; R118-Q149 PolarHBondContact NH2-O 2.82Å; F145-Q149 HydrophobicContact CB-CB 4.33Å; F145-Q149 VanDerWaalsContact CD1-CD 3.48Å; P146-Q149 HydrophobicContact CG-CB 4.12Å; P146-Q149 WeakPolarHBondContact O-CB 3.12Å; P146-Q149 PolarHBondContact O-N 3.22Å; Q149-E151 WeakPolarHBondContact CG-O 3.38Å; Q149-E151 PolarHBondContact NE2-O 2.85Å
150A90.4Very high83.1Confident43 Ų4370.5 Ų70.536%0.35536%0.357SS..  trans-128.86.3-176.600000113.2S115 W116S115-A150 CarbonylContact C-O 3.46Å; S115-A150 VanDerWaalsContact CA-O 3.3Å; S115-A150 WeakPolarHBondContact CA-O 3.16Å; W116-A150 PolarHBondContact N-O 2.9Å
151E92.1Very high82.2Confident89 Ų8975.3 Ų75.342%0.41638%0.379SS..EExtended strand (participates in β ladder)trans-144.1152.1179.259.9178.7-13400112.1H113 V114 Q149 Y153H113-E151 WeakPolarHBondContact NE2-CB 3.42Å; H113-E151 IonicContact NE2-OE2 3.32Å; V114-E151 CarbonylContact O-C 3.55Å; V114-E151 VanDerWaalsContact O-CA 3.3Å; V114-E151 WeakPolarHBondContact O-CA 3.49Å; Q149-E151 WeakPolarHBondContact CG-O 3.38Å; Q149-E151 PolarHBondContact NE2-O 2.85Å; E151-Y153 HydrophobicContact CG-CE2 4.36Å; E151-Y153 VanDerWaalsContact OE1-CE2 3.25Å; E151-Y153 WeakPolarHBondContact OE1-CE2 3.49Å; E151-Y153 PolarHBondContact OE1-OH 2.77Å; E151-Y153 VanDerWaalsContact OE1-OH 3.06Å
152Y88.6Confident81.2Confident21 Ų2171.6 Ų71.68%0.08238%0.384CS..EExtended strand (participates in β ladder)trans-144.3126.6-179.4173.3-117.9000110.4V114 I131 R133 F145 A154 D156V114-Y152 PolarHBondContact N-O 2.75Å; V114-Y152 PolarHBondContact O-N 3.47Å; I131-Y152 HydrophobicContact CD1-CD1 4.38Å; I131-Y152 HydrophobicContact CD1-CG 4.39Å; R133-Y152 PolarHBondContact NH1-OH 3.36Å; F145-Y152 AromaticContact CE1-CD2 3.66Å; F145-Y152 HydrophobicContact CE1-CD2 3.66Å; F145-Y152 HydrophobicContact CE1-CE2 4.15Å; F145-Y152 HydrophobicContact CE1-CG 4.42Å; F145-Y152 HydrophobicContact CE2-CD2 4.22Å; F145-Y152 HydrophobicContact CE2-CG 4.32Å; F145-Y152 AromaticContact CZ-CD2 3.25Å; F145-Y152 HydrophobicContact CZ-CD2 3.25Å; F145-Y152 AromaticContact CZ-CE2 3.62Å; F145-Y152 HydrophobicContact CZ-CE2 3.62Å; F145-Y152 AromaticContact CZ-CG 3.76Å; F145-Y152 HydrophobicContact CZ-CG 3.76Å; Y152-A154 HydrophobicContact CD1-CB 4.11Å; Y152-A154 HydrophobicContact CE1-CB 3.54Å; Y152-D156 PolarHBondContact OH-OD1 2.89Å
153Y88.3Confident80.4Confident108 Ų10870.2 Ų70.242%0.42438%0.377SS..EExtended strand (participates in β ladder)trans-100114.5175.2-62-92.8000109.4M107 H113 E151 N155M107-Y153 HydrophobicContact CE-CE1 4.41Å; H113-Y153 HydrophobicContact CB-CD1 4.22Å; H113-Y153 HydrophobicContact CB-CE1 4.29Å; H113-Y153 AromaticContact CD2-CD1 3.84Å; H113-Y153 AromaticContact CD2-CE1 3.55Å; H113-Y153 AromaticContact CD2-CZ 3.72Å; H113-Y153 AromaticContact CG-CE1 3.9Å; H113-Y153 AromaticContact NE2-CZ 3.87Å; E151-Y153 HydrophobicContact CG-CE2 4.36Å; E151-Y153 VanDerWaalsContact OE1-CE2 3.25Å; E151-Y153 WeakPolarHBondContact OE1-CE2 3.49Å; E151-Y153 PolarHBondContact OE1-OH 2.77Å; E151-Y153 VanDerWaalsContact OE1-OH 3.06Å; Y153-N155 VanDerWaalsContact C-N 3.3Å; Y153-N155 PolarHBondContact O-N 2.96Å; Y153-N155 VanDerWaalsContact O-N 3.08Å
154A82.6Confident79.6Confident0 Ų071.9 Ų71.90%039%0.386CS..  trans-91.858.1-168.800000111.4P112 R133 Y152 D156P112-A154 HydrophobicContact CB-CB 4.08Å; P112-A154 HydrophobicContact CG-CB 4.3Å; P112-A154 VanDerWaalsContact O-CB 3.28Å; P112-A154 WeakPolarHBondContact O-CB 3.25Å; P112-A154 PolarHBondContact O-N 3.2Å; R133-A154 VanDerWaalsContact NH2-CB 3.32Å; R133-A154 PolarHBondContact NH2-O 3.37Å; R133-A154 VanDerWaalsContact NH2-O 3.12Å; Y152-A154 HydrophobicContact CD1-CB 4.11Å; Y152-A154 HydrophobicContact CE1-CB 3.54Å; A154-D156 PolarHBondContact O-N 2.72Å
155N78.8Confident79Confident105 Ų10567 Ų6756%0.56136%0.361SS*.THydrogen-bonded Turntrans-82.8-2.3-167.466.5-7.2000116.2Y111 Y153Y111-N155 HydrophobicContact CD1-CB 4.42Å; Y111-N155 HydrophobicContact CD2-CB 4.08Å; Y111-N155 WeakPolarHBondContact CE1-O 3.26Å; Y111-N155 HydrophobicContact CE2-CB 4.43Å; Y111-N155 HydrophobicContact CG-CB 4.1Å; Y153-N155 VanDerWaalsContact C-N 3.3Å; Y153-N155 PolarHBondContact O-N 2.96Å; Y153-N155 VanDerWaalsContact O-N 3.08Å
156D71.5Confident78.5Confident72 Ų7266.6 Ų66.639%0.38536%0.36SS..THydrogen-bonded Turntrans-101.612.3-16863.1-44000114.3R133 Y152 A154R133-D156 IonicContact CZ-OD1 3.75Å; R133-D156 IonicContact NH1-OD1 2.88Å; R133-D156 PolarHBondContact NH1-OD1 2.9Å; R133-D156 IonicContact NH1-OD2 3.55Å; Y152-D156 PolarHBondContact OH-OD1 2.89Å; A154-D156 PolarHBondContact O-N 2.72Å
157F66.7Low78Confident52 Ų5263.4 Ų63.423%0.22834%0.339CS..  trans-138.6132.6-175.4-113.6-90.1000112.9F135F135-F157 HydrophobicContact CD2-CE1 4.21Å; F135-F157 AromaticContact CE2-CD1 3.56Å; F135-F157 HydrophobicContact CE2-CD1 3.56Å; F135-F157 AromaticContact CE2-CE1 3.52Å; F135-F157 HydrophobicContact CE2-CE1 3.52Å; F135-F157 AromaticContact CZ-CD1 3.9Å; F135-F157 HydrophobicContact CZ-CD1 3.9Å; F135-F157 HydrophobicContact CZ-CE1 4.33Å
158E66.3Low77.9Confident175 Ų17563.8 Ų63.882%0.81834%0.34SS*.PPolyproline II helixtrans-95.1116.6169.8-70.9-173.616900109.5
159P65.3Low77.8Confident52 Ų5257.7 Ų57.734%0.33831%0.307SS..PPolyproline II helixtrans-73.1132.7177.328.7-32.3000111.1F135 Y190F135-P159 HydrophobicContact CE1-CB 4.3Å; F135-P159 HydrophobicContact CZ-CB 4.3Å; P159-Y190 HydrophobicContact CB-CD1 4.07Å; P159-Y190 HydrophobicContact CB-CD2 3.62Å; P159-Y190 HydrophobicContact CB-CE1 4Å; P159-Y190 HydrophobicContact CB-CE2 3.55Å; P159-Y190 HydrophobicContact CB-CG 3.89Å; P159-Y190 HydrophobicContact CG-CD1 3.84Å; P159-Y190 HydrophobicContact CG-CD2 4.3Å; P159-Y190 HydrophobicContact CG-CE1 3.61Å; P159-Y190 HydrophobicContact CG-CE2 4.1Å; P159-Y190 HydrophobicContact CG-CG 4.18Å
160G63Low77.5Confident23 Ų2355.4 Ų55.424%0.23730%0.296CS..PPolyproline II helixtrans-79153.8165.600000111.5G162 M163G160-G162 PolarHBondContact O-N 2.91Å; G160-M163 PolarHBondContact N-SD 2.91Å; G160-M163 VanDerWaalsContact O-CB 3.29Å; G160-M163 WeakPolarHBondContact O-CB 3.45Å; G160-M163 VanDerWaalsContact O-CG 3.3Å; G160-M163 WeakPolarHBondContact O-CG 3.3Å; G160-M163 PolarHBondContact O-N 2.95Å; G160-M163 VanDerWaalsContact O-N 3.15Å
161E63.3Low77.3Confident149 Ų14953.7 Ų53.770%0.69628%0.281SS*.THydrogen-bonded Turntrans-57.8133.6-179.9-165.8-173.6156.400112M163 L192E161-M163 PolarHBondContact O-N 3.24Å; E161-L192 VanDerWaalsContact CD-CD1 3.46Å; E161-L192 HydrophobicContact CG-CD1 4.47Å; E161-L192 HydrophobicContact CG-CG 4.28Å; E161-L192 WeakPolarHBondContact OE1-CD1 3.23Å
162G66.5Low77Confident62 Ų6252 Ų5264%0.63927%0.273SS*.THydrogen-bonded Turntrans71.74.4179.800000114.8G160 Y190G160-G162 PolarHBondContact O-N 2.91Å; G162-Y190 PolarHBondContact N-O 3.1Å
163M70.8Confident76.8Confident68 Ų6851 Ų5134%0.33527%0.269SS..  trans-75.4142.3172.6-62-173.2-173.300110.5F135 G160 E161F135-M163 HydrophobicContact CD1-CB 3.54Å; F135-M163 HydrophobicContact CD1-CG 4.37Å; F135-M163 HydrophobicContact CD1-SD 4.11Å; F135-M163 HydrophobicContact CD2-SD 3.86Å; F135-M163 HydrophobicContact CE1-CB 3.81Å; F135-M163 HydrophobicContact CE1-SD 4.17Å; F135-M163 HydrophobicContact CE2-SD 3.89Å; F135-M163 HydrophobicContact CG-CB 4.15Å; F135-M163 HydrophobicContact CG-SD 3.97Å; F135-M163 HydrophobicContact CZ-SD 4.07Å; G160-M163 PolarHBondContact N-SD 2.91Å; G160-M163 VanDerWaalsContact O-CB 3.29Å; G160-M163 WeakPolarHBondContact O-CB 3.45Å; G160-M163 VanDerWaalsContact O-CG 3.3Å; G160-M163 WeakPolarHBondContact O-CG 3.3Å; G160-M163 PolarHBondContact O-N 2.95Å; G160-M163 VanDerWaalsContact O-N 3.15Å; E161-M163 PolarHBondContact O-N 3.24Å
164E73.6Confident76.5Confident81 Ų8151.4 Ų51.438%0.37928%0.275SS..EExtended strand (participates in β ladder)trans-106.4118.1172.8-64178.5158.700108.5F135 S136 V188F135-E164 CarbonylContact C-O 3.57Å; F135-E164 VanDerWaalsContact CA-O 3.27Å; F135-E164 WeakPolarHBondContact CA-O 3.39Å; S136-E164 PolarHBondContact N-O 2.87Å; E164-V188 CarbonylContact C-O 3.59Å; E164-V188 WeakPolarHBondContact CA-O 3.49Å
165E77.4Confident76.2Confident4 Ų457.8 Ų57.82%0.01931%0.309CS..EExtended strand (participates in β ladder)trans-84132.4174.5-166.3174.1-169.900109.4P112 R133 G134 F135 F167 H187 V188 Y190P112-E165 VanDerWaalsContact CG-OE2 3.31Å; P112-E165 WeakPolarHBondContact CG-OE2 3.33Å; R133-E165 IonicContact CZ-OE1 2.6Å; R133-E165 IonicContact NE-OE1 3.77Å; R133-E165 PolarHBondContact NE-OE1 2.86Å; R133-E165 IonicContact NH2-OE1 2.72Å; R133-E165 PolarHBondContact NH2-OE1 2.94Å; G134-E165 CarbonylContact O-C 3.52Å; G134-E165 WeakPolarHBondContact O-CA 3.17Å; F135-E165 HydrophobicContact CD1-CB 4.28Å; F135-E165 HydrophobicContact CE1-CB 4.2Å; F135-E165 HydrophobicContact CE1-CG 4.49Å; E165-F167 HydrophobicContact CB-CE2 4.26Å; E165-F167 VanDerWaalsContact CD-CZ 3.48Å; E165-F167 HydrophobicContact CG-CD2 4.4Å; E165-F167 HydrophobicContact CG-CE2 3.59Å; E165-F167 HydrophobicContact CG-CZ 3.83Å; E165-F167 WeakPolarHBondContact OE1-CZ 3.39Å; E165-H187 WeakPolarHBondContact O-CA 3.46Å; E165-V188 HydrophobicContact CB-CB 4.32Å; E165-V188 PolarHBondContact N-O 3.07Å; E165-V188 PolarHBondContact O-N 3.01Å; E165-Y190 HydrophobicContact CB-CE2 4.16Å; E165-Y190 PolarHBondContact OE2-OH 2.68Å
166V81.9Confident76Confident15 Ų1556.1 Ų56.19%0.09130%0.3CS..EExtended strand (participates in β ladder)trans-115.5132.1-175.8-178.60000108.4R133 G134 L140 I168R133-V166 WeakPolarHBondContact CA-O 3.38Å; G134-V166 PolarHBondContact N-O 2.65Å; G134-V166 PolarHBondContact O-N 3.46Å; L140-V166 HydrophobicContact CD2-CB 4.46Å; V166-I168 HydrophobicContact CG1-CG1 4.12Å
167F82.5Confident76.1Confident0 Ų055.6 Ų55.60%029%0.294CS..EExtended strand (participates in β ladder)trans-119.9129172-61.7-94.6000109.5I104 P112 V114 I131 F132 R133 E165 L169 F186 V188I104-F167 HydrophobicContact CD1-CD2 3.75Å; I104-F167 HydrophobicContact CD1-CE2 4.27Å; I104-F167 HydrophobicContact CD1-CG 4.35Å; P112-F167 HydrophobicContact CB-CZ 4.09Å; P112-F167 HydrophobicContact CG-CZ 4.31Å; V114-F167 HydrophobicContact CG2-CD1 3.91Å; V114-F167 HydrophobicContact CG2-CE1 3.61Å; V114-F167 HydrophobicContact CG2-CE2 4.42Å; V114-F167 HydrophobicContact CG2-CG 4.42Å; V114-F167 HydrophobicContact CG2-CZ 3.9Å; I131-F167 HydrophobicContact CG2-CD1 4.16Å; F132-F167 WeakPolarHBondContact O-CA 3.37Å; R133-F167 HydrophobicContact CB-CD1 4.15Å; R133-F167 HydrophobicContact CB-CE1 4.22Å; R133-F167 HydrophobicContact CG-CD1 4Å; R133-F167 HydrophobicContact CG-CE1 3.62Å; R133-F167 HydrophobicContact CG-CZ 4.17Å; E165-F167 HydrophobicContact CB-CE2 4.26Å; E165-F167 VanDerWaalsContact CD-CZ 3.48Å; E165-F167 HydrophobicContact CG-CD2 4.4Å; E165-F167 HydrophobicContact CG-CE2 3.59Å; E165-F167 HydrophobicContact CG-CZ 3.83Å; E165-F167 WeakPolarHBondContact OE1-CZ 3.39Å; F167-L169 HydrophobicContact CB-CD1 3.87Å; F167-F186 PolarHBondContact N-O 3.17Å; F167-V188 HydrophobicContact CE2-CG2 4.13Å
168I85Confident76.4Confident23 Ų2353.3 Ų53.312%0.11829%0.285CS..EExtended strand (participates in β ladder)trans-124.5118.2173.1-51.1176.6000107.4I131 F132 L140 V166 F170 I219I131-I168 WeakPolarHBondContact CA-O 3.36Å; F132-I168 HydrophobicContact CB-CB 4.22Å; F132-I168 PolarHBondContact N-O 2.86Å; F132-I168 PolarHBondContact O-N 2.72Å; L140-I168 HydrophobicContact CD1-CD1 3.69Å; L140-I168 HydrophobicContact CD1-CG1 4.33Å; V166-I168 HydrophobicContact CG1-CG1 4.12Å; I168-F170 HydrophobicContact CG2-CD1 4.39Å; I168-I219 HydrophobicContact CD1-CD1 3.75Å
169L87.1Confident76.3Confident8 Ų847.1 Ų47.14%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-115.2138.6-175.4-6481.5000110.2I99 V102 V114 W116 I130 I131 F167I99-L169 HydrophobicContact CG1-CB 4.44Å; I99-L169 HydrophobicContact CG2-CB 4.26Å; V102-L169 HydrophobicContact CG1-CD1 4.27Å; V102-L169 HydrophobicContact CG1-CD2 4.32Å; V102-L169 HydrophobicContact CG2-CD2 4.42Å; V114-L169 HydrophobicContact CG1-CD2 4.31Å; W116-L169 HydrophobicContact CB-CD2 4.24Å; W116-L169 HydrophobicContact CD2-CD2 3.9Å; W116-L169 HydrophobicContact CE3-CD2 3.75Å; W116-L169 HydrophobicContact CG-CD2 4.13Å; W116-L169 HydrophobicContact CZ3-CD2 4.46Å; I130-L169 WeakPolarHBondContact O-CA 3.24Å; I131-L169 HydrophobicContact CD1-CD2 4.09Å; I131-L169 HydrophobicContact CD1-CG 4.34Å; I131-L169 HydrophobicContact CG1-CD2 4.23Å; I131-L169 HydrophobicContact CG1-CG 4.04Å; I131-L169 HydrophobicContact CG2-CG 4.35Å; F167-L169 HydrophobicContact CB-CD1 3.87Å
170F85.4Confident76Confident14 Ų1447.5 Ų47.56%0.06126%0.26CS..EExtended strand (participates in β ladder)trans-152.6156.5169.746.6-86.7000110.4I130 F132 I168 F177 S178I130-F170 HydrophobicContact CB-CD2 3.87Å; I130-F170 HydrophobicContact CB-CE1 4.37Å; I130-F170 HydrophobicContact CB-CE2 3.38Å; I130-F170 HydrophobicContact CB-CZ 3.63Å; I130-F170 HydrophobicContact CD1-CD2 4.37Å; I130-F170 HydrophobicContact CD1-CE2 3.6Å; I130-F170 HydrophobicContact CD1-CZ 4.33Å; I130-F170 HydrophobicContact CG1-CE2 3.99Å; I130-F170 HydrophobicContact CG2-CD2 4.5Å; I130-F170 HydrophobicContact CG2-CE1 4.08Å; I130-F170 HydrophobicContact CG2-CE2 3.61Å; I130-F170 HydrophobicContact CG2-CZ 3.32Å; I130-F170 PolarHBondContact N-O 3.12Å; I130-F170 PolarHBondContact O-N 2.93Å; F132-F170 AromaticContact CD2-CE1 3.37Å; F132-F170 HydrophobicContact CD2-CE1 3.37Å; F132-F170 AromaticContact CD2-CZ 3.76Å; F132-F170 HydrophobicContact CD2-CZ 3.76Å; F132-F170 AromaticContact CE2-CE1 3.24Å; F132-F170 HydrophobicContact CE2-CE1 3.24Å; F132-F170 AromaticContact CE2-CZ 3.18Å; F132-F170 HydrophobicContact CE2-CZ 3.18Å; F132-F170 HydrophobicContact CZ-CE1 4.37Å; F132-F170 AromaticContact CZ-CZ 3.93Å; F132-F170 HydrophobicContact CZ-CZ 3.93Å; I168-F170 HydrophobicContact CG2-CD1 4.39Å; F170-F177 HydrophobicContact CD2-CB 4.04Å; F170-F177 AromaticContact CD2-CD1 3.45Å; F170-F177 HydrophobicContact CD2-CD1 3.45Å; F170-F177 VanDerWaalsContact CD2-CD1 3.45Å; F170-F177 HydrophobicContact CD2-CE1 4.27Å; F170-F177 HydrophobicContact CD2-CG 4.06Å; F170-F177 AromaticContact CE2-CD1 3.3Å; F170-F177 HydrophobicContact CE2-CD1 3.3Å; F170-F177 AromaticContact CE2-CE1 3.7Å; F170-F177 HydrophobicContact CE2-CE1 3.7Å; F170-F177 HydrophobicContact CE2-CG 4.07Å; F170-F177 HydrophobicContact CZ-CD1 4.49Å; F170-S178 WeakPolarHBondContact CA-OG 3.39Å; F170-S178 WeakPolarHBondContact CB-O 3.2Å; F170-S178 WeakPolarHBondContact CB-OG 3.37Å
171N86.8Confident75.7Confident7 Ų747.4 Ų47.44%0.03725%0.254CS..EExtended strand (participates in β ladder)trans-85.8145.9167.1-68-47.3000109.7V96 P97 I99 S128 T129 F177 S178V96-N171 HydrophobicContact CG1-CB 3.63Å; P97-N171 PolarHBondContact O-ND2 2.84Å; I99-N171 WeakPolarHBondContact CD1-ND2 3.34Å; I99-N171 VanDerWaalsContact CD1-OD1 3.32Å; I99-N171 WeakPolarHBondContact CD1-OD1 3.33Å; S128-N171 CarbonylContact O-C 3.59Å; S128-N171 WeakPolarHBondContact O-CA 3.45Å; T129-N171 PolarHBondContact OG1-OD1 2.89Å; N171-F177 CarbonylContact O-C 3.59Å; N171-F177 WeakPolarHBondContact O-CA 3.44Å; N171-S178 PolarHBondContact N-OG 3.21Å; N171-S178 PolarHBondContact O-N 2.84Å
172E85.5Confident75Confident52 Ų5247.2 Ų47.224%0.24326%0.255CS..EExtended strand (participates in β ladder)trans-114.9132.9170.4179-174.5-130.700108.6D127 S128 I130 L176 F177D127-E172 WeakPolarHBondContact CA-O 3.45Å; D127-E172 WeakPolarHBondContact CB-O 2.97Å; S128-E172 PolarHBondContact N-O 3.13Å; S128-E172 PolarHBondContact O-N 2.88Å; S128-E172 WeakPolarHBondContact OG-CB 3.46Å; S128-E172 PolarHBondContact OG-OE2 3.02Å; I130-E172 HydrophobicContact CD1-CB 3.84Å; I130-E172 HydrophobicContact CD1-CG 4.29Å; I130-E172 HydrophobicContact CG1-CB 4.37Å; E172-L176 WeakPolarHBondContact CA-O 3.5Å; E172-F177 HydrophobicContact CB-CD1 3.9Å; E172-F177 HydrophobicContact CB-CE1 3.95Å; E172-F177 HydrophobicContact CG-CD1 4.01Å; E172-F177 HydrophobicContact CG-CE1 3.69Å; E172-F177 WeakPolarHBondContact OE1-CE1 3.33Å
173H83.9Confident74Confident1 Ų144.7 Ų44.71%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-135.2117.6173.9170.966.2000107.6K94 V96 D127 N175 L176K94-H173 WeakPolarHBondContact CE-NE2 3.27Å; K94-H173 PolarHBondContact NZ-CE1 2.84Å; K94-H173 PolarHBondContact NZ-NE2 3.46Å; V96-H173 HydrophobicContact CG1-CB 3.99Å; V96-H173 HydrophobicContact CG2-CB 3.92Å; D127-H173 VanDerWaalsContact CG-ND1 3.34Å; D127-H173 IonicContact OD1-CE1 3.9Å; D127-H173 IonicContact OD1-CG 3.26Å; D127-H173 IonicContact OD1-ND1 3.81Å; D127-H173 PolarHBondContact OD1-ND1 3Å; D127-H173 IonicContact OD2-CG 2.93Å; D127-H173 IonicContact OD2-ND1 3.67Å; D127-H173 PolarHBondContact OD2-ND1 2.8Å; H173-N175 PolarHBondContact O-N 2.93Å; H173-N175 VanDerWaalsContact O-N 3.08Å; H173-L176 PolarHBondContact N-O 2.92Å; H173-L176 WeakPolarHBondContact O-CB 3.48Å; H173-L176 PolarHBondContact O-N 2.76Å
174E82.9Confident73.1Confident116 Ų11643.5 Ų43.554%0.54223%0.225SC..THydrogen-bonded Turntrans53.2-110-171.4-57.3173.2-174.500111.9
175N76.2Confident72.2Confident135 Ų13542 Ų4272%0.72222%0.219SC*.THydrogen-bonded Turntrans-110.817.6177.3-60-59.9000112.2H173H173-N175 PolarHBondContact O-N 2.93Å; H173-N175 VanDerWaalsContact O-N 3.08Å
176L73.7Confident71.3Confident69 Ų6943 Ų4336%0.36122%0.223SC..EExtended strand (participates in β ladder)trans-113.9143.4-176.8-59.2174.9000110K94 V96 E172 H173K94-L176 HydrophobicContact CB-CD1 4.3Å; V96-L176 HydrophobicContact CG2-CB 3.78Å; E172-L176 WeakPolarHBondContact CA-O 3.5Å; H173-L176 PolarHBondContact N-O 2.92Å; H173-L176 WeakPolarHBondContact O-CB 3.48Å; H173-L176 PolarHBondContact O-N 2.76Å
177F75Confident70.1Confident62 Ų6245.1 Ų45.127%0.27223%0.232SC..EExtended strand (participates in β ladder)trans-112.6142.4172.5-56.3-72.6000109.5I130 F170 N171 E172 L179 I223I130-F177 HydrophobicContact CD1-CD1 4.32Å; I130-F177 HydrophobicContact CD1-CE1 3.72Å; F170-F177 HydrophobicContact CD2-CB 4.04Å; F170-F177 AromaticContact CD2-CD1 3.45Å; F170-F177 HydrophobicContact CD2-CD1 3.45Å; F170-F177 VanDerWaalsContact CD2-CD1 3.45Å; F170-F177 HydrophobicContact CD2-CE1 4.27Å; F170-F177 HydrophobicContact CD2-CG 4.06Å; F170-F177 AromaticContact CE2-CD1 3.3Å; F170-F177 HydrophobicContact CE2-CD1 3.3Å; F170-F177 AromaticContact CE2-CE1 3.7Å; F170-F177 HydrophobicContact CE2-CE1 3.7Å; F170-F177 HydrophobicContact CE2-CG 4.07Å; F170-F177 HydrophobicContact CZ-CD1 4.49Å; N171-F177 CarbonylContact O-C 3.59Å; N171-F177 WeakPolarHBondContact O-CA 3.44Å; E172-F177 HydrophobicContact CB-CD1 3.9Å; E172-F177 HydrophobicContact CB-CE1 3.95Å; E172-F177 HydrophobicContact CG-CD1 4.01Å; E172-F177 HydrophobicContact CG-CE1 3.69Å; E172-F177 WeakPolarHBondContact OE1-CE1 3.33Å; F177-L179 PolarHBondContact O-N 3.08Å; F177-I223 HydrophobicContact CD2-CG2 4.25Å; F177-I223 HydrophobicContact CE2-CG2 3.85Å
178S71.7Confident68.6Low4 Ų445.5 Ų45.53%0.02823%0.234CC..PPolyproline II helixtrans-62.9122.5166.167.40000108.1P97 F170 N171P97-S178 WeakPolarHBondContact O-CB 3.19Å; F170-S178 WeakPolarHBondContact CA-OG 3.39Å; F170-S178 WeakPolarHBondContact CB-O 3.2Å; F170-S178 WeakPolarHBondContact CB-OG 3.37Å; N171-S178 PolarHBondContact N-OG 3.21Å; N171-S178 PolarHBondContact O-N 2.84Å
179L65Low67.2Low44 Ų4446.7 Ų46.723%0.2324%0.244CC..PPolyproline II helixtrans-67.5130172-74.2173.1000108.4V13 E16 F177 T181V13-L179 HydrophobicContact CG1-CD1 4.31Å; E16-L179 HydrophobicContact CB-CB 3.89Å; E16-L179 HydrophobicContact CB-CD1 4.06Å; E16-L179 HydrophobicContact CG-CB 4.21Å; E16-L179 HydrophobicContact CG-CD1 3.85Å; F177-L179 PolarHBondContact O-N 3.08Å; L179-T181 PolarHBondContact O-N 2.7Å
180P59.3Low65.5Low61 Ų6148.1 Ų48.140%0.39625%0.25SC..PPolyproline II helixtrans-62.113117825.1-32.3000108.5M182P180-M182 PolarHBondContact O-N 3.3Å
181T56.1Low63.4Low20 Ų2050.8 Ų50.812%0.12327%0.274CS..PPolyproline II helixtrans-60129.2166.9-38.50000107.2T18 L179 G183 N184T18-T181 WeakPolarHBondContact OG1-CG2 3.26Å; L179-T181 PolarHBondContact O-N 2.7Å; T181-G183 PolarHBondContact O-N 2.85Å; T181-N184 PolarHBondContact O-N 2.84Å
182M48Very low61.1Low145 Ų14556.8 Ų56.871%0.71431%0.305SS*.THydrogen-bonded Turntrans-52.3114.5178.7-144.7175.653.600109P180P180-M182 PolarHBondContact O-N 3.3Å
183G45.3Very low58.9Low10 Ų1064 Ų6410%0.10334%0.336CS..THydrogen-bonded Turntrans124.9-20.4-170.700000115.1T181 I185 V200 C201T181-G183 PolarHBondContact O-N 2.85Å; G183-I185 VanDerWaalsContact C-N 3.27Å; G183-I185 PolarHBondContact O-N 2.9Å; G183-V200 WeakPolarHBondContact O-CG1 3.34Å; G183-C201 WeakPolarHBondContact CA-O 3.37Å
184N53.3Low56.5Low43 Ų4366.5 Ų66.523%0.2336%0.362CS..  trans-87.631.1-176.3-68.6-1.4000114.4I99 T181 F186I99-N184 PolarHBondContact O-ND2 2.88Å; T181-N184 PolarHBondContact O-N 2.84Å; N184-F186 VanDerWaalsContact C-CE2 3.4Å; N184-F186 HydrophobicContact CB-CE2 3.96Å; N184-F186 HydrophobicContact CB-CZ 4.17Å; N184-F186 WeakPolarHBondContact O-CD2 3.47Å; N184-F186 WeakPolarHBondContact O-CE2 3.19Å
185I54.9Low54.2Low50 Ų5065.8 Ų65.826%0.25636%0.357SS..  trans-101.1122170.4-58.3176.1000107.3G183G183-I185 VanDerWaalsContact C-N 3.27Å; G183-I185 PolarHBondContact O-N 2.9Å
186F57.4Low52.2Low25 Ų2568.4 Ų68.411%0.1136%0.363CS..EExtended strand (participates in β ladder)trans-114.9138.6-171.9-54.9-84.1000111.2V102 I104 F167 N184 V200V102-F186 HydrophobicContact CB-CD2 4.07Å; V102-F186 HydrophobicContact CB-CE1 4.11Å; V102-F186 HydrophobicContact CB-CE2 3.49Å; V102-F186 VanDerWaalsContact CB-CE2 3.49Å; V102-F186 HydrophobicContact CB-CZ 3.53Å; V102-F186 HydrophobicContact CG1-CD2 3.89Å; V102-F186 HydrophobicContact CG1-CE2 3.84Å; V102-F186 HydrophobicContact CG1-CG 4.34Å; V102-F186 HydrophobicContact CG1-CZ 4.24Å; V102-F186 HydrophobicContact CG2-CD2 4.38Å; V102-F186 HydrophobicContact CG2-CE2 3.56Å; V102-F186 HydrophobicContact CG2-CZ 3.85Å; I104-F186 HydrophobicContact CD1-CB 3.67Å; I104-F186 HydrophobicContact CD1-CG 4.48Å; F167-F186 PolarHBondContact N-O 3.17Å; N184-F186 VanDerWaalsContact C-CE2 3.4Å; N184-F186 HydrophobicContact CB-CE2 3.96Å; N184-F186 HydrophobicContact CB-CZ 4.17Å; N184-F186 WeakPolarHBondContact O-CD2 3.47Å; N184-F186 WeakPolarHBondContact O-CE2 3.19Å; F186-V200 HydrophobicContact CE1-CG2 4.45Å
187H56.4Low50.3Low59 Ų5969.1 Ų69.127%0.27337%0.374SS..EExtended strand (participates in β ladder)trans-125138.4-178-63.6-97.5000110.4E165E165-H187 WeakPolarHBondContact O-CA 3.46Å
188V51.9Low48.6Very low7 Ų774 Ų744%0.04239%0.39CS..EExtended strand (participates in β ladder)trans-118.3124.1168.8-176.60000108.5I104 E164 E165 F167 Y190 F195I104-V188 HydrophobicContact CB-CG2 4.35Å; I104-V188 HydrophobicContact CD1-CG2 3.97Å; I104-V188 HydrophobicContact CG2-CG2 3.64Å; E164-V188 CarbonylContact C-O 3.59Å; E164-V188 WeakPolarHBondContact CA-O 3.49Å; E165-V188 HydrophobicContact CB-CB 4.32Å; E165-V188 PolarHBondContact N-O 3.07Å; E165-V188 PolarHBondContact O-N 3.01Å; F167-V188 HydrophobicContact CE2-CG2 4.13Å; V188-Y190 HydrophobicContact CG1-CE2 4.15Å; V188-F195 HydrophobicContact CG1-CE2 3.99Å; V188-F195 HydrophobicContact CG1-CZ 4.36Å
189S55.8Low46.7Very low49 Ų4981.3 Ų81.334%0.34342%0.424SS..EExtended strand (participates in β ladder)trans-110.3130.4179.9-530000110.8
190Y49.9Very low45.2Very low38 Ų3883.1 Ų83.115%0.14944%0.436CS..  trans-99.1112.1178.1-61.8-91000110.5L106 P112 P159 G162 E165 V188L106-Y190 HydrophobicContact CD1-CE1 4.4Å; P112-Y190 WeakPolarHBondContact CG-OH 3.39Å; P159-Y190 HydrophobicContact CB-CD1 4.07Å; P159-Y190 HydrophobicContact CB-CD2 3.62Å; P159-Y190 HydrophobicContact CB-CE1 4Å; P159-Y190 HydrophobicContact CB-CE2 3.55Å; P159-Y190 HydrophobicContact CB-CG 3.89Å; P159-Y190 HydrophobicContact CG-CD1 3.84Å; P159-Y190 HydrophobicContact CG-CD2 4.3Å; P159-Y190 HydrophobicContact CG-CE1 3.61Å; P159-Y190 HydrophobicContact CG-CE2 4.1Å; P159-Y190 HydrophobicContact CG-CG 4.18Å; G162-Y190 PolarHBondContact N-O 3.1Å; E165-Y190 HydrophobicContact CB-CE2 4.16Å; E165-Y190 PolarHBondContact OE2-OH 2.68Å; V188-Y190 HydrophobicContact CG1-CE2 4.15Å
191A42.9Very low43.9Very low69 Ų6983 Ų8357%0.5744%0.436SS*.  trans-118.1144.5176.100000111.8K193A191-K193 PolarHBondContact O-N 2.93Å
192L38.9Very low42.7Very low134 Ų13485 Ų8570%0.70246%0.461SS*.SBendtrans-59.8-9.7-170.8-104.7174000116.5E161E161-L192 VanDerWaalsContact CD-CD1 3.46Å; E161-L192 HydrophobicContact CG-CD1 4.47Å; E161-L192 HydrophobicContact CG-CG 4.28Å; E161-L192 WeakPolarHBondContact OE1-CD1 3.23Å
193K37.9Very low41.6Very low202 Ų20282.9 Ų82.988%0.87846%0.46SS*.SBendtrans-153.688.9176.8-71.3-172.9179.3173.40110.9A191A191-K193 PolarHBondContact O-N 2.93Å
194G33.8Very low40.8Very low54 Ų5488 Ų8856%0.55750%0.495SS*.SBendtrans84.9133.2169.400000113.9
195F35.2Very low39.5Very low102 Ų10295.4 Ų95.445%0.44753%0.525SS..  trans-70.5148.3-172.4-165.8-102.4000113.1V188V188-F195 HydrophobicContact CG1-CE2 3.99Å; V188-F195 HydrophobicContact CG1-CZ 4.36Å
196F34.6Very low37.9Very low190 Ų190101.2 Ų101.283%0.83355%0.553SS**  trans-118.6120.3159.9-81.2-87.2000108.9
197S34Very low36.5Very low84 Ų84103.3 Ų103.359%0.58757%0.57SS**  trans-93.2148.9-173-173.50000113.4
198R37.3Very low34.8Very low163 Ų163106.5 Ų106.562%0.61559%0.593SS**  trans52.899.6165.4-80.6-175.4177.2-177.11.7116.9E103E103-R198 IonicContact OE1-NH2 3.86Å
199H32.8Very low33.5Very low159 Ų159111.1 Ų111.174%0.73663%0.625SS**  trans-105.8100.8146.1-75.3-58000109.8
200V33.1Very low32Very low81 Ų81113.9 Ų113.949%0.49164%0.635SS.*  trans-81.3115159.3178.70000105.4G183 F186 G202G183-V200 WeakPolarHBondContact O-CG1 3.34Å; F186-V200 HydrophobicContact CE1-CG2 4.45Å; V200-G202 PolarHBondContact O-N 3.2Å
201C32.6Very low30.9Very low59 Ų59113.4 Ų113.440%0.39964%0.638SS.*  trans-73.774.7180-119.40000109.6G183 C207G183-C201 WeakPolarHBondContact CA-O 3.37Å; C201-C207 HydrophobicContact CB-CB 4.5Å; C201-C207 WeakPolarHBondContact CB-SG 3.4Å; C201-C207 WeakPolarHBondContact SG-CB 2.79Å; C201-C207 CovalentContact SG-SG 2.07Å; C201-C207 PolarHBondContact SG-SG 2.78Å
202G29.8Very low30.3Very low62 Ų62114.5 Ų114.564%0.63964%0.637SS**  trans-123.131.5-175.300000114V200V200-G202 PolarHBondContact O-N 3.2Å
203S26.8Very low29.8Very low101 Ų101113.5 Ų113.571%0.70663%0.632SS**SBendtrans-163140.4172-165.60000113.8K205S203-K205 VanDerWaalsContact C-N 3.31Å; S203-K205 PolarHBondContact O-N 3.39Å
204S27.6Very low29.4Very low118 Ų118108.3 Ų108.383%0.82561%0.614SS**THydrogen-bonded Turntrans-72.829.2-156.369.40000118
205K25.6Very low29.2Very low197 Ų197107.7 Ų107.786%0.85760%0.598SS**THydrogen-bonded Turntrans-130.4-4.4-175.2-89.4-174.3175.6177.90118.8S203S203-K205 VanDerWaalsContact C-N 3.31Å; S203-K205 PolarHBondContact O-N 3.39Å
206M22.6Very low28.9Very low173 Ų173108.6 Ų108.685%0.85260%0.602SS**SBendtrans-155.419.1173.7-120.2168.6-178.600115.5T208M206-T208 PolarHBondContact O-N 3.37Å; M206-T208 VanDerWaalsContact O-N 3.08Å
207C26.1Very low28.8Very low69 Ų69101 Ų10147%0.46657%0.573SS.*  trans-83.569.7160.1-50.30000106.3C201 C209C201-C207 HydrophobicContact CB-CB 4.5Å; C201-C207 WeakPolarHBondContact CB-SG 3.4Å; C201-C207 WeakPolarHBondContact SG-CB 2.79Å; C201-C207 CovalentContact SG-SG 2.07Å; C201-C207 PolarHBondContact SG-SG 2.78Å; C207-C209 PolarHBondContact O-N 2.8Å
208T22Very low28.5Very low125 Ų125102.2 Ų102.277%0.76757%0.572SS**  trans-63.590.9175.6-44.10000106.9M206 L210M206-T208 PolarHBondContact O-N 3.37Å; M206-T208 VanDerWaalsContact O-N 3.08Å; T208-L210 PolarHBondContact O-N 3.01Å; T208-L210 VanDerWaalsContact O-N 3.13Å
209C24.4Very low28.2Very low104 Ų10496.2 Ų96.270%0.70355%0.552SS**  trans29.977.1163.4-58.30000112.2C207 S211C207-C209 PolarHBondContact O-N 2.8Å; C209-S211 WeakPolarHBondContact O-CA 3.32Å; C209-S211 PolarHBondContact O-N 3.11Å
210L25Very low28Very low107 Ų10793.7 Ų93.756%0.5654%0.539SS*.  trans-57.687139-126.2165.8000102.3T208 V212 L215T208-L210 PolarHBondContact O-N 3.01Å; T208-L210 VanDerWaalsContact O-N 3.13Å; L210-V212 PolarHBondContact O-N 2.93Å; L210-L215 HydrophobicContact CB-CD1 4.47Å; L210-L215 HydrophobicContact CD2-CD1 4.37Å; L210-L215 HydrophobicContact CD2-CG 4.4Å
211S26Very low27.7Very low29 Ų2995.4 Ų95.420%0.20354%0.542CS..  trans-54.2125.5-154.9176.40000105.1C209 D213 N214 L215C209-S211 WeakPolarHBondContact O-CA 3.32Å; C209-S211 PolarHBondContact O-N 3.11Å; S211-D213 CarbonylContact O-C 3.58Å; S211-D213 PolarHBondContact O-N 2.79Å; S211-D213 WeakPolarHBondContact OG-CB 3.48Å; S211-D213 PolarHBondContact OG-N 2.78Å; S211-D213 PolarHBondContact OG-OD2 3.49Å; S211-N214 WeakPolarHBondContact O-CA 3.37Å; S211-N214 PolarHBondContact O-N 3.23Å; S211-L215 PolarHBondContact O-N 3.08Å
212V30.7Very low27.4Very low92 Ų9298.9 Ų98.956%0.55856%0.556SS**Hα-helixtrans-53-21.5171.6174.30000108.5L210 K216L210-V212 PolarHBondContact O-N 2.93Å; V212-K216 HydrophobicContact CG1-CD 4.05Å; V212-K216 HydrophobicContact CG1-CG 4.17Å; V212-K216 WeakPolarHBondContact O-CA 3.44Å; V212-K216 WeakPolarHBondContact O-CB 3.33Å; V212-K216 WeakPolarHBondContact O-CG 3.39Å; V212-K216 PolarHBondContact O-N 3.15Å
213D29Very low27.2Very low112 Ų11298 Ų9860%0.59954%0.536SS*.Hα-helixtrans-67.4-38.4169-52-39000113.9S211 S217S211-D213 CarbonylContact O-C 3.58Å; S211-D213 PolarHBondContact O-N 2.79Å; S211-D213 WeakPolarHBondContact OG-CB 3.48Å; S211-D213 PolarHBondContact OG-N 2.78Å; S211-D213 PolarHBondContact OG-OD2 3.49Å; D213-S217 WeakPolarHBondContact O-CA 3.42Å; D213-S217 WeakPolarHBondContact O-CB 3.42Å; D213-S217 PolarHBondContact O-N 3.49Å; D213-S217 PolarHBondContact O-OG 3.41Å
214N27.6Very low27Very low94 Ų94102.2 Ų102.250%0.50354%0.537SS..Hα-helixtrans-77.9-35.1175.7-86.2-12.2000112.9S211 S217 N218S211-N214 WeakPolarHBondContact O-CA 3.37Å; S211-N214 PolarHBondContact O-N 3.23Å; N214-S217 WeakPolarHBondContact CA-OG 3.48Å; N214-S217 PolarHBondContact O-N 3.38Å; N214-S217 PolarHBondContact O-OG 3.44Å; N214-N218 WeakPolarHBondContact O-CB 3.43Å; N214-N218 PolarHBondContact O-N 2.99Å
215L30Very low26.9Very low41 Ų41101.7 Ų101.722%0.21553%0.528CS..Iπ-helixtrans-67.8-40.7170-86.5161000110.1L210 S211 S217 I219 F220L210-L215 HydrophobicContact CB-CD1 4.47Å; L210-L215 HydrophobicContact CD2-CD1 4.37Å; L210-L215 HydrophobicContact CD2-CG 4.4Å; S211-L215 PolarHBondContact O-N 3.08Å; L215-S217 VanDerWaalsContact C-N 3.31Å; L215-S217 PolarHBondContact O-N 2.89Å; L215-I219 HydrophobicContact CD2-CB 4.17Å; L215-I219 HydrophobicContact CD2-CD1 3.49Å; L215-I219 VanDerWaalsContact CD2-CD1 3.49Å; L215-I219 HydrophobicContact CD2-CG1 3.97Å; L215-I219 PolarHBondContact O-N 3.07Å; L215-F220 WeakPolarHBondContact O-CD2 3.46Å; L215-F220 PolarHBondContact O-N 2.85Å
216K29Very low26.8Very low121 Ų121102.7 Ų102.753%0.52653%0.527SS..Iπ-helixtrans-62.1-37.5170.7-81.7177.9177.6177.40112.4V212 F220 Q221V212-K216 HydrophobicContact CG1-CD 4.05Å; V212-K216 HydrophobicContact CG1-CG 4.17Å; V212-K216 WeakPolarHBondContact O-CA 3.44Å; V212-K216 WeakPolarHBondContact O-CB 3.33Å; V212-K216 WeakPolarHBondContact O-CG 3.39Å; V212-K216 PolarHBondContact O-N 3.15Å; K216-F220 HydrophobicContact CG-CD2 4.29Å; K216-Q221 WeakPolarHBondContact O-CG 3.39Å; K216-Q221 PolarHBondContact O-N 3.31Å
217S33Very low26.9Very low31 Ų31100.1 Ų100.122%0.21752%0.523CS..Iπ-helixtrans-80.8-36.1-176.777.80000112.9D213 N214 L215 Q221D213-S217 WeakPolarHBondContact O-CA 3.42Å; D213-S217 WeakPolarHBondContact O-CB 3.42Å; D213-S217 PolarHBondContact O-N 3.49Å; D213-S217 PolarHBondContact O-OG 3.41Å; N214-S217 WeakPolarHBondContact CA-OG 3.48Å; N214-S217 PolarHBondContact O-N 3.38Å; N214-S217 PolarHBondContact O-OG 3.44Å; L215-S217 VanDerWaalsContact C-N 3.31Å; L215-S217 PolarHBondContact O-N 2.89Å; S217-Q221 WeakPolarHBondContact O-CB 3.45Å; S217-Q221 WeakPolarHBondContact O-CG 3.14Å; S217-Q221 PolarHBondContact O-OE1 2.85Å
218N27.1Very low26.9Very low108 Ų108103.1 Ų103.158%0.57853%0.534SS*.Iπ-helixtrans-108.2-36.4-169.5-65.8-6.9000112.7N214N214-N218 WeakPolarHBondContact O-CB 3.43Å; N214-N218 PolarHBondContact O-N 2.99Å
219I32.3Very low27.1Very low38 Ų38105.3 Ų105.320%0.19554%0.541CS..Iπ-helixtrans-95.5-48178.4-61.4-168.4000110.3L140 I168 L215 Q221 D222 I223L140-I219 HydrophobicContact CD1-CD1 4.29Å; I168-I219 HydrophobicContact CD1-CD1 3.75Å; L215-I219 HydrophobicContact CD2-CB 4.17Å; L215-I219 HydrophobicContact CD2-CD1 3.49Å; L215-I219 VanDerWaalsContact CD2-CD1 3.49Å; L215-I219 HydrophobicContact CD2-CG1 3.97Å; L215-I219 PolarHBondContact O-N 3.07Å; I219-Q221 PolarHBondContact O-N 3.19Å; I219-D222 PolarHBondContact O-N 2.88Å; I219-I223 HydrophobicContact CG2-CD1 3.41Å; I219-I223 VanDerWaalsContact CG2-CD1 3.41Å; I219-I223 HydrophobicContact CG2-CG1 4.17Å; I219-I223 VanDerWaalsContact O-CB 3.26Å; I219-I223 WeakPolarHBondContact O-CB 3.41Å; I219-I223 WeakPolarHBondContact O-CG1 3.4Å; I219-I223 PolarHBondContact O-N 3.19Å
220F28.6Very low27.3Very low105 Ų105107.1 Ų107.146%0.46154%0.542SS..Hα-helixtrans-76.8-16.9178.7-65.3-82000114.1L215 K216 R224L215-F220 WeakPolarHBondContact O-CD2 3.46Å; L215-F220 PolarHBondContact O-N 2.85Å; K216-F220 HydrophobicContact CG-CD2 4.29Å; F220-R224 WeakPolarHBondContact O-CG 3.46Å; F220-R224 PolarHBondContact O-N 2.89Å; F220-R224 VanDerWaalsContact O-N 3.12Å
221Q25.6Very low27.7Very low118 Ų118111.2 Ų111.255%0.55158%0.575SS**Hα-helixtrans-77-37167.1-67-175-1.800111.7K216 S217 I219 R224K216-Q221 WeakPolarHBondContact O-CG 3.39Å; K216-Q221 PolarHBondContact O-N 3.31Å; S217-Q221 WeakPolarHBondContact O-CB 3.45Å; S217-Q221 WeakPolarHBondContact O-CG 3.14Å; S217-Q221 PolarHBondContact O-OE1 2.85Å; I219-Q221 PolarHBondContact O-N 3.19Å; Q221-R224 WeakPolarHBondContact O-CB 3.1Å; Q221-R224 PolarHBondContact O-N 3.38Å
222D25.6Very low27.8Very low131 Ų131115.4 Ų115.470%0.70159%0.593SS**Hα-helixtrans-73.3-35.7175.4-120.7-2.4000111.4I219 R224I219-D222 PolarHBondContact O-N 2.88Å; D222-R224 PolarHBondContact O-N 3.4Å
223I26Very low27.6Very low44 Ų44116.6 Ų116.623%0.22660%0.595CS.*THydrogen-bonded Turntrans-78.52.7171.5-58175.1000112F132 F177 I219 V225F132-I223 HydrophobicContact CE2-CD1 3.96Å; F132-I223 HydrophobicContact CZ-CD1 4.1Å; F132-I223 HydrophobicContact CZ-CG1 4.5Å; F177-I223 HydrophobicContact CD2-CG2 4.25Å; F177-I223 HydrophobicContact CE2-CG2 3.85Å; I219-I223 HydrophobicContact CG2-CD1 3.41Å; I219-I223 VanDerWaalsContact CG2-CD1 3.41Å; I219-I223 HydrophobicContact CG2-CG1 4.17Å; I219-I223 VanDerWaalsContact O-CB 3.26Å; I219-I223 WeakPolarHBondContact O-CB 3.41Å; I219-I223 WeakPolarHBondContact O-CG1 3.4Å; I219-I223 PolarHBondContact O-N 3.19Å; I223-V225 PolarHBondContact O-N 2.85Å
224R22.8Very low27.5Very low190 Ų190116.8 Ų116.872%0.71760%0.595SS**  trans-70.964.6152.9-77.3-179-145.7-167.66.8108F220 Q221 D222 R226F220-R224 WeakPolarHBondContact O-CG 3.46Å; F220-R224 PolarHBondContact O-N 2.89Å; F220-R224 VanDerWaalsContact O-N 3.12Å; Q221-R224 WeakPolarHBondContact O-CB 3.1Å; Q221-R224 PolarHBondContact O-N 3.38Å; D222-R224 PolarHBondContact O-N 3.4Å; R224-R226 VanDerWaalsContact C-N 3.35Å; R224-R226 PolarHBondContact O-N 3.12Å
225V26.4Very low27.5Very low106 Ų106118.2 Ų118.264%0.64260%0.601SS**  trans-59.4103.9167.8-179.60000105.6I223I223-V225 PolarHBondContact O-N 2.85Å
226R23.3Very low27.4Very low218 Ų218123 Ų12382%0.82363%0.625SS**  trans5.5106164.2-58.8-177.6-168.2-158.13.1113.1R224 N228R224-R226 VanDerWaalsContact C-N 3.35Å; R224-R226 PolarHBondContact O-N 3.12Å; R226-N228 PolarHBondContact O-N 3.32Å
227P24Very low27.3Very low119 Ų119123.1 Ų123.177%0.77363%0.631SS**  trans-54.2120.6162.725-32.4000106.4L229P227-L229 PolarHBondContact O-N 3.17Å
228N27.4Very low26.8Very low132 Ų132129.7 Ų129.771%0.70666%0.661SS**  trans-44.6104.9-179.7-81.5-42.6000109.7R226 I230R226-N228 PolarHBondContact O-N 3.32Å; N228-I230 HydrophobicContact CB-CG1 4.03Å; N228-I230 PolarHBondContact O-N 3.06Å
229L24.8Very low26.8Very low172 Ų172131.4 Ų131.490%0.90167%0.667SS**  trans-72.882.2156.2-75.8163.1000105P227P227-L229 PolarHBondContact O-N 3.17Å
230I28.4Very low26.4Very low142 Ų142139.2 Ų139.273%0.72871%0.707SS**  trans-77.9121.7157.5-50.7-177.3000104.5N228N228-I230 HydrophobicContact CB-CG1 4.03Å; N228-I230 PolarHBondContact O-N 3.06Å
231P33.6Very low26.2Very low193 Ų193142.3 Ų142.3100%1.25373%0.729SS**  trans-59.40-175.524.3-34000113.5

Retrieved 231 of 231 residues in 80.7 ms (Link to these results)

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