A0A3Q0KSZ3_SCHMA Loading...

Mucin-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KSZ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 989 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
1M43.9Very low83.4Confident114 Ų11455.1 Ų55.156%0.56228%0.277SS*.  0149.30-71.1160.9164.700108.1L28 T30 A154 C155M1-L28 VanDerWaalsContact O-O 3.07Å; M1-T30 PolarHBondContact N-OG1 3.43Å; M1-A154 HydrophobicContact CE-CB 4.19Å; M1-C155 WeakPolarHBondContact CE-SG 3.17Å
2N57.7Low83.7Confident157 Ų15755.1 Ų55.184%0.8428%0.278SS*.  trans-103.172.1173-81.1-16.4000110.4
3L80.1Confident83.8Confident52 Ų5256.2 Ų56.227%0.27228%0.278SS..  trans-80.7126.4165.2-166.176.2000107.9R27 L28 W131 I134L3-R27 VanDerWaalsContact O-CA 3.27Å; L3-R27 WeakPolarHBondContact O-CA 3.49Å; L3-L28 HydrophobicContact CB-CB 4.24Å; L3-L28 PolarHBondContact O-N 2.82Å; L3-W131 HydrophobicContact CB-CH2 4.36Å; L3-W131 HydrophobicContact CB-CZ2 4.35Å; L3-W131 HydrophobicContact CD2-CD2 3.69Å; L3-W131 VanDerWaalsContact CD2-CE2 3.43Å; L3-W131 HydrophobicContact CD2-CE3 3.95Å; L3-W131 HydrophobicContact CD2-CG 4.37Å; L3-W131 HydrophobicContact CD2-CH2 3.81Å; L3-W131 HydrophobicContact CD2-CZ2 3.52Å; L3-W131 HydrophobicContact CD2-CZ3 3.99Å; L3-W131 HydrophobicContact CG-CH2 4.02Å; L3-W131 HydrophobicContact CG-CZ2 3.58Å; L3-I134 HydrophobicContact CD2-CD1 3.59Å
4S87.9Confident84Confident57 Ų5753.1 Ų53.140%0.39926%0.263SS..EExtended strand (participates in β ladder)trans-133.8137.7178.6-142.10000107.5D25 V26 R27S4-D25 PolarHBondContact OG-OD1 3.32Å; S4-V26 WeakPolarHBondContact CA-O 3.5Å; S4-R27 WeakPolarHBondContact OG-CG 3.3Å; S4-R27 PolarHBondContact OG-NE 2.9Å; S4-R27 VanDerWaalsContact OG-NE 3.16Å
5G89.3Confident84Confident8 Ų864.9 Ų64.98%0.08230%0.303CS..EExtended strand (participates in β ladder)trans-152.3161.217400000110.2F7 V26G5-F7 VanDerWaalsContact C-CE2 3.41Å; G5-F7 WeakPolarHBondContact O-CD2 3.49Å; G5-V26 PolarHBondContact N-O 3.16Å; G5-V26 PolarHBondContact O-N 3.46Å
6R92.7Very high84.1Confident107 Ų10763.3 Ų63.340%0.40430%0.304SS..EExtended strand (participates in β ladder)trans-106.4121.5-178.4-63.7-169.3-167.5176.38.5109.8L23 C24 L42 E50R6-L23 HydrophobicContact CB-CD1 4.46Å; R6-C24 WeakPolarHBondContact CA-O 3.12Å; R6-L42 HydrophobicContact CG-CD1 4.35Å; R6-E50 IonicContact CZ-OE1 2.7Å; R6-E50 VanDerWaalsContact CZ-OE1 3.25Å; R6-E50 IonicContact CZ-OE2 3.14Å; R6-E50 IonicContact NH1-OE1 2.7Å; R6-E50 PolarHBondContact NH1-OE1 2.97Å; R6-E50 IonicContact NH1-OE2 2.76Å; R6-E50 PolarHBondContact NH1-OE2 3.23Å; R6-E50 IonicContact NH2-OE1 3.25Å; R6-E50 PolarHBondContact NH2-OE1 3.36Å; R6-E50 IonicContact NH2-OE2 2.71Å
7F94.1Very high84.3Confident1 Ų159.5 Ų59.50%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-133.9147-173-60.6-84.6000111.6G5 V9 L23 C24 V26 I120 A121 T122 E127 I128 W131G5-F7 VanDerWaalsContact C-CE2 3.41Å; G5-F7 WeakPolarHBondContact O-CD2 3.49Å; F7-V9 HydrophobicContact CB-CG2 4.35Å; F7-V9 PolarHBondContact O-N 3.1Å; F7-L23 WeakPolarHBondContact O-CA 3.34Å; F7-C24 PolarHBondContact N-O 3.13Å; F7-C24 PolarHBondContact O-N 2.72Å; F7-V26 HydrophobicContact CB-CG2 4.18Å; F7-V26 HydrophobicContact CD2-CB 3.73Å; F7-V26 HydrophobicContact CD2-CG2 3.71Å; F7-V26 HydrophobicContact CE2-CB 4.21Å; F7-V26 HydrophobicContact CG-CG2 4.37Å; F7-I120 HydrophobicContact CB-CG2 3.44Å; F7-I120 VanDerWaalsContact CB-CG2 3.44Å; F7-I120 HydrophobicContact CD1-CG2 3.53Å; F7-I120 HydrophobicContact CD2-CG2 3.86Å; F7-I120 HydrophobicContact CE1-CG2 4.26Å; F7-I120 HydrophobicContact CG-CG2 3.3Å; F7-A121 CarbonylContact C-O 3.6Å; F7-A121 WeakPolarHBondContact CA-O 3.3Å; F7-A121 WeakPolarHBondContact CB-O 3.34Å; F7-T122 HydrophobicContact CD1-CG2 4.01Å; F7-T122 HydrophobicContact CE1-CG2 3.68Å; F7-E127 HydrophobicContact CE1-CG 3.91Å; F7-E127 HydrophobicContact CZ-CG 3.72Å; F7-E127 VanDerWaalsContact CZ-OE1 3.31Å; F7-E127 WeakPolarHBondContact CZ-OE1 3.35Å; F7-I128 HydrophobicContact CE1-CD1 4.19Å; F7-W131 HydrophobicContact CE2-CD2 4.31Å; F7-W131 AromaticContact CE2-CE2 3.74Å; F7-W131 AromaticContact CE2-CZ2 3.92Å; F7-W131 HydrophobicContact CE2-CZ2 3.92Å; F7-W131 AromaticContact CE2-NE1 3.8Å; F7-W131 AromaticContact CZ-CD1 3.55Å; F7-W131 HydrophobicContact CZ-CD2 4.17Å; F7-W131 AromaticContact CZ-CE2 3.75Å; F7-W131 HydrophobicContact CZ-CG 4.04Å; F7-W131 HydrophobicContact CZ-CZ2 4.38Å; F7-W131 AromaticContact CZ-NE1 3.37Å
8F94.1Very high84.5Confident43 Ų4361.4 Ų61.419%0.18929%0.293CS..EExtended strand (participates in β ladder)trans-73.3120.7159.5-66.1-79.5000108.5W21 L23 V97 N98 A121F8-W21 HydrophobicContact CB-CB 4.38Å; F8-W21 HydrophobicContact CB-CE3 3.93Å; F8-W21 WeakPolarHBondContact O-CZ3 3.35Å; F8-L23 HydrophobicContact CD1-CB 4.21Å; F8-L23 HydrophobicContact CD1-CD1 4.36Å; F8-L23 HydrophobicContact CD2-CD1 4.48Å; F8-L23 HydrophobicContact CE1-CB 4.03Å; F8-L23 HydrophobicContact CE1-CD1 4.18Å; F8-L23 HydrophobicContact CE2-CD1 4.32Å; F8-L23 HydrophobicContact CZ-CD1 4.16Å; F8-V97 HydrophobicContact CB-CG1 3.71Å; F8-V97 HydrophobicContact CD1-CG1 3.98Å; F8-V97 HydrophobicContact CD2-CG1 3.74Å; F8-V97 HydrophobicContact CE2-CG1 4.33Å; F8-V97 HydrophobicContact CG-CG1 3.52Å; F8-N98 WeakPolarHBondContact CE1-ND2 3.37Å; F8-A121 PolarHBondContact N-O 3Å; F8-A121 PolarHBondContact O-N 2.86Å
9V93.9Very high84.4Confident0 Ų063.4 Ų63.40%031%0.306CS..EExtended strand (participates in β ladder)trans-110.6133.9-180177.90000109.5F7 I14 I22 C24 V26 I39 L118 L119 I120F7-V9 HydrophobicContact CB-CG2 4.35Å; F7-V9 PolarHBondContact O-N 3.1Å; V9-I14 HydrophobicContact CG1-CD1 4.47Å; V9-I22 PolarHBondContact N-O 2.99Å; V9-I22 PolarHBondContact O-N 2.77Å; V9-C24 HydrophobicContact CB-CB 4.48Å; V9-C24 HydrophobicContact CG2-CB 3.87Å; V9-V26 HydrophobicContact CG2-CG2 3.99Å; V9-I39 HydrophobicContact CB-CG2 4.41Å; V9-I39 HydrophobicContact CG1-CD1 4.35Å; V9-I39 HydrophobicContact CG1-CG2 4.22Å; V9-I39 HydrophobicContact CG2-CG2 4.01Å; V9-L118 HydrophobicContact CG1-CD1 3.69Å; V9-L119 WeakPolarHBondContact CA-O 3.45Å; V9-I120 HydrophobicContact CG2-CG1 4.37Å
10K92.6Very high84.5Confident66 Ų6663.2 Ų63.229%0.28731%0.306SS..EExtended strand (participates in β ladder)trans-131.9129.6169.1-176.3158.4176.5164.90109.2A17 D19 W21 L119K10-A17 CarbonylContact C-O 3.59Å; K10-A17 WeakPolarHBondContact CA-O 3.36Å; K10-D19 WeakPolarHBondContact CE-O 3.13Å; K10-D19 PolarHBondContact NZ-O 3.48Å; K10-W21 HydrophobicContact CB-CD2 3.68Å; K10-W21 HydrophobicContact CB-CE3 3.41Å; K10-W21 VanDerWaalsContact CB-CE3 3.41Å; K10-W21 HydrophobicContact CB-CG 4.37Å; K10-W21 HydrophobicContact CB-CH2 4.11Å; K10-W21 HydrophobicContact CB-CZ2 4.32Å; K10-W21 HydrophobicContact CB-CZ3 3.65Å; K10-W21 HydrophobicContact CD-CD2 4.1Å; K10-W21 HydrophobicContact CD-CG 4.27Å; K10-L119 PolarHBondContact N-O 2.87Å; K10-L119 PolarHBondContact O-N 2.96Å
11S90.8Very high84.8Confident1 Ų161.9 Ų61.91%0.00730%0.298CS..EExtended strand (participates in β ladder)trans-157.1119.4-170.6168.40000111.4Y13 I14 A17 K18 K117S11-Y13 PolarHBondContact O-N 3.17Å; S11-Y13 WeakPolarHBondContact OG-CD1 3.36Å; S11-Y13 WeakPolarHBondContact OG-CE1 3.45Å; S11-Y13 VanDerWaalsContact OG-CZ 3.25Å; S11-I14 PolarHBondContact O-N 2.99Å; S11-I14 PolarHBondContact OG-N 3.38Å; S11-A17 PolarHBondContact N-O 3.04Å; S11-A17 CarbonylContact O-C 3.57Å; S11-K18 VanDerWaalsContact O-CA 3.29Å; S11-K18 WeakPolarHBondContact O-CA 3.31Å; S11-K117 VanDerWaalsContact CA-O 3.28Å; S11-K117 WeakPolarHBondContact CA-O 3.43Å; S11-K117 PolarHBondContact OG-O 2.92Å
12N87.7Confident87.1Confident55 Ų5557.3 Ų57.329%0.29428%0.275SS..THydrogen-bonded Turntrans-67.7-9.6-176.669-27.8000114.7N115 K116 K117N12-N115 PolarHBondContact ND2-O 2.84Å; N12-N115 PolarHBondContact ND2-OD1 3.46Å; N12-N115 VanDerWaalsContact ND2-OD1 3.1Å; N12-N115 PolarHBondContact OD1-O 3.06Å; N12-K116 WeakPolarHBondContact OD1-CA 3.48Å; N12-K117 PolarHBondContact N-O 3.46Å; N12-K117 PolarHBondContact OD1-N 2.69Å; N12-K117 PolarHBondContact OD1-O 3.07Å
13Y84.2Confident88.8Confident69 Ų6951.1 Ų51.127%0.27124%0.242SC..THydrogen-bonded Turntrans-105.9-18.8175.966.2-94.5000113.8S11 R15 C82 Y87 K116 L118S11-Y13 PolarHBondContact O-N 3.17Å; S11-Y13 WeakPolarHBondContact OG-CD1 3.36Å; S11-Y13 WeakPolarHBondContact OG-CE1 3.45Å; S11-Y13 VanDerWaalsContact OG-CZ 3.25Å; Y13-R15 PolarHBondContact O-N 2.8Å; Y13-C82 PolarHBondContact OH-SG 2.82Å; Y13-Y87 PolarHBondContact OH-OH 2.77Å; Y13-K116 HydrophobicContact CD1-CB 3.59Å; Y13-K116 HydrophobicContact CD1-CD 4.08Å; Y13-K116 HydrophobicContact CD1-CG 3.56Å; Y13-K116 HydrophobicContact CE1-CB 3.99Å; Y13-K116 HydrophobicContact CE1-CD 4.47Å; Y13-K116 HydrophobicContact CE1-CG 4.27Å; Y13-K116 HydrophobicContact CG-CB 4.42Å; Y13-K116 HydrophobicContact CG-CD 4.22Å; Y13-K116 HydrophobicContact CG-CG 3.87Å; Y13-L118 HydrophobicContact CE1-CB 4.07Å; Y13-L118 WeakPolarHBondContact OH-CD2 3.3Å
14I86.5Confident89.4Confident13 Ų1348.7 Ų48.77%0.06723%0.229CC..SBendtrans-82.896.4167.8-60.7175.6000106.7V9 S11 A16 A17 K18 I39 F78 A80V9-I14 HydrophobicContact CG1-CD1 4.47Å; S11-I14 PolarHBondContact O-N 2.99Å; S11-I14 PolarHBondContact OG-N 3.38Å; I14-A16 PolarHBondContact O-N 2.9Å; I14-A17 HydrophobicContact CB-CB 4.29Å; I14-A17 HydrophobicContact CG2-CB 4.05Å; I14-A17 CarbonylContact O-C 3.59Å; I14-A17 WeakPolarHBondContact O-CA 3.38Å; I14-A17 PolarHBondContact O-N 3.32Å; I14-K18 PolarHBondContact O-N 2.89Å; I14-K18 VanDerWaalsContact O-N 3.1Å; I14-I39 HydrophobicContact CD1-CD1 4.09Å; I14-F78 HydrophobicContact CG2-CD2 3.9Å; I14-F78 HydrophobicContact CG2-CE1 4.34Å; I14-F78 HydrophobicContact CG2-CE2 3.52Å; I14-F78 HydrophobicContact CG2-CG 4.48Å; I14-F78 HydrophobicContact CG2-CZ 3.76Å; I14-A80 HydrophobicContact CD1-CB 3.75Å; I14-A80 HydrophobicContact CG1-CB 3.99Å
15R85Confident89.7Confident230 Ų23047 Ų4787%0.86822%0.216SC*.G310 helixtrans-47.2-34.4-171.6-168.1-175-59.5-177.82114.9Y13Y13-R15 PolarHBondContact O-N 2.8Å
16A84.5Confident89.9Confident39 Ų3946.6 Ų46.632%0.32221%0.212SC..G310 helixtrans-71-42.4176.100000113.1I14 I22 A74 F78I14-A16 PolarHBondContact O-N 2.9Å; A16-I22 VanDerWaalsContact C-CD1 3.48Å; A16-I22 HydrophobicContact CB-CD1 4.07Å; A16-I22 VanDerWaalsContact O-CD1 3.24Å; A16-I22 WeakPolarHBondContact O-CD1 3.38Å; A16-A74 HydrophobicContact CB-CB 3.91Å; A16-F78 HydrophobicContact CB-CD1 3.42Å; A16-F78 VanDerWaalsContact CB-CD1 3.42Å; A16-F78 HydrophobicContact CB-CE1 3.47Å; A16-F78 VanDerWaalsContact CB-CE1 3.47Å; A16-F78 HydrophobicContact CB-CG 4.35Å; A16-F78 HydrophobicContact CB-CZ 4.44Å
17A87.3Confident90Very high0 Ų047.3 Ų47.30%022%0.215CC..G310 helixtrans-9723-177.800000112.7K10 S11 I14 D20 I22 F78K10-A17 CarbonylContact C-O 3.59Å; K10-A17 WeakPolarHBondContact CA-O 3.36Å; S11-A17 PolarHBondContact N-O 3.04Å; S11-A17 CarbonylContact O-C 3.57Å; I14-A17 HydrophobicContact CB-CB 4.29Å; I14-A17 HydrophobicContact CG2-CB 4.05Å; I14-A17 CarbonylContact O-C 3.59Å; I14-A17 WeakPolarHBondContact O-CA 3.38Å; I14-A17 PolarHBondContact O-N 3.32Å; A17-D20 CarbonylContact C-O 3.58Å; A17-I22 HydrophobicContact CB-CB 4.36Å; A17-I22 HydrophobicContact CB-CD1 3.98Å; A17-I22 HydrophobicContact CB-CG1 4.19Å; A17-F78 HydrophobicContact CB-CZ 4.37Å
18K87.9Confident89.9Confident94 Ų9447.5 Ų47.541%0.40922%0.216SC..SBendtrans-69.5-54.6-175.8176.3-177.2163.1-77.20111.1S11 I14S11-K18 VanDerWaalsContact O-CA 3.29Å; S11-K18 WeakPolarHBondContact O-CA 3.31Å; I14-K18 PolarHBondContact O-N 2.89Å; I14-K18 VanDerWaalsContact O-N 3.1Å
19D83.5Confident89.6Confident99 Ų9948.8 Ų48.853%0.52922%0.224SC..SBendtrans-101.4-23.5-169.8-58-59.8000111.3K10K10-D19 WeakPolarHBondContact CE-O 3.13Å; K10-D19 PolarHBondContact NZ-O 3.48Å
20D86.5Confident89.2Confident58 Ų5852.3 Ų52.331%0.3125%0.246SC..SBendtrans-120160-177.8-69.4-60.1000114.2A17 N72A17-D20 CarbonylContact C-O 3.58Å; D20-N72 HydrophobicContact CB-CB 4.42Å; D20-N72 PolarHBondContact OD1-ND2 3.31Å; D20-N72 PolarHBondContact OD2-ND2 2.82Å
21W91.3Very high88.5Confident36 Ų3654.5 Ų54.514%0.13626%0.261CS..  trans-85123171.3-73.7110.3000110.7F8 K10 E95 A96 V97 L119 A121F8-W21 HydrophobicContact CB-CB 4.38Å; F8-W21 HydrophobicContact CB-CE3 3.93Å; F8-W21 WeakPolarHBondContact O-CZ3 3.35Å; K10-W21 HydrophobicContact CB-CD2 3.68Å; K10-W21 HydrophobicContact CB-CE3 3.41Å; K10-W21 VanDerWaalsContact CB-CE3 3.41Å; K10-W21 HydrophobicContact CB-CG 4.37Å; K10-W21 HydrophobicContact CB-CH2 4.11Å; K10-W21 HydrophobicContact CB-CZ2 4.32Å; K10-W21 HydrophobicContact CB-CZ3 3.65Å; K10-W21 HydrophobicContact CD-CD2 4.1Å; K10-W21 HydrophobicContact CD-CG 4.27Å; W21-E95 HydrophobicContact CH2-CB 4.33Å; W21-E95 HydrophobicContact CZ2-CB 3.97Å; W21-E95 HydrophobicContact CZ2-CG 4.44Å; W21-A96 PolarHBondContact NE1-O 2.95Å; W21-V97 HydrophobicContact CB-CG1 4.19Å; W21-V97 HydrophobicContact CD2-CG1 4.27Å; W21-V97 HydrophobicContact CD2-CG2 3.97Å; W21-V97 HydrophobicContact CE3-CG2 4.33Å; W21-V97 HydrophobicContact CG-CG1 4.02Å; W21-V97 HydrophobicContact CG-CG2 4.44Å; W21-V97 HydrophobicContact CH2-CG2 4.28Å; W21-V97 HydrophobicContact CZ2-CG2 3.92Å; W21-V97 HydrophobicContact CZ3-CG2 4.47Å; W21-L119 HydrophobicContact CH2-CB 3.71Å; W21-L119 HydrophobicContact CH2-CD2 4.14Å; W21-L119 HydrophobicContact CZ3-CB 3.98Å; W21-A121 HydrophobicContact CH2-CB 4.01Å; W21-A121 HydrophobicContact CZ3-CB 3.79Å
22I90.8Very high87.9Confident18 Ų1861 Ų619%0.09230%0.295CS..EExtended strand (participates in β ladder)trans-118.5127.1-177.6-61.3-175.3000111.3V9 A16 A17 C24 A74 F78V9-I22 PolarHBondContact N-O 2.99Å; V9-I22 PolarHBondContact O-N 2.77Å; A16-I22 VanDerWaalsContact C-CD1 3.48Å; A16-I22 HydrophobicContact CB-CD1 4.07Å; A16-I22 VanDerWaalsContact O-CD1 3.24Å; A16-I22 WeakPolarHBondContact O-CD1 3.38Å; A17-I22 HydrophobicContact CB-CB 4.36Å; A17-I22 HydrophobicContact CB-CD1 3.98Å; A17-I22 HydrophobicContact CB-CG1 4.19Å; I22-C24 PolarHBondContact O-N 3.24Å; I22-C24 PolarHBondContact O-SG 3.37Å; I22-A74 HydrophobicContact CD1-CB 3.52Å; I22-F78 HydrophobicContact CD1-CE1 3.96Å; I22-F78 HydrophobicContact CG2-CE1 4.16Å; I22-F78 HydrophobicContact CG2-CZ 4.37Å
23L93.1Very high87.5Confident28 Ų2862.8 Ų62.815%0.14731%0.308CS..EExtended strand (participates in β ladder)trans-66.3117.3173.7-170.765.1000111.1R6 F7 F8 L42 L47R6-L23 HydrophobicContact CB-CD1 4.46Å; F7-L23 WeakPolarHBondContact O-CA 3.34Å; F8-L23 HydrophobicContact CD1-CB 4.21Å; F8-L23 HydrophobicContact CD1-CD1 4.36Å; F8-L23 HydrophobicContact CD2-CD1 4.48Å; F8-L23 HydrophobicContact CE1-CB 4.03Å; F8-L23 HydrophobicContact CE1-CD1 4.18Å; F8-L23 HydrophobicContact CE2-CD1 4.32Å; F8-L23 HydrophobicContact CZ-CD1 4.16Å; L23-L42 HydrophobicContact CD2-CD1 4.33Å; L23-L42 HydrophobicContact CG-CD1 4.11Å; L23-L42 PolarHBondContact O-N 3.26Å; L23-L47 HydrophobicContact CD2-CD1 4.46Å; L23-L47 HydrophobicContact CD2-CD2 3.86Å; L23-L47 HydrophobicContact CD2-CG 4.14Å
24C94.1Very high87.4Confident0 Ų061.5 Ų61.50%031%0.306CS..EExtended strand (participates in β ladder)trans-127.7146.6-177.2-60.70000111.1R6 F7 V9 I22 V26 I39 K40R6-C24 WeakPolarHBondContact CA-O 3.12Å; F7-C24 PolarHBondContact N-O 3.13Å; F7-C24 PolarHBondContact O-N 2.72Å; V9-C24 HydrophobicContact CB-CB 4.48Å; V9-C24 HydrophobicContact CG2-CB 3.87Å; I22-C24 PolarHBondContact O-N 3.24Å; I22-C24 PolarHBondContact O-SG 3.37Å; C24-V26 HydrophobicContact CB-CG2 4.31Å; C24-I39 HydrophobicContact CB-CG2 3.74Å; C24-K40 CarbonylContact C-O 3.6Å; C24-K40 VanDerWaalsContact CA-O 3.24Å; C24-K40 WeakPolarHBondContact CA-O 3.49Å; C24-K40 WeakPolarHBondContact CB-O 3.27Å
25D93.7Very high87.6Confident22 Ų2262.1 Ų62.112%0.11831%0.31CS..EExtended strand (participates in β ladder)trans-80.7119.9159177.324.2000107.8S4 R27 K40 L42S4-D25 PolarHBondContact OG-OD1 3.32Å; D25-R27 IonicContact OD1-NE 3.25Å; D25-R27 IonicContact OD2-CZ 3.97Å; D25-R27 IonicContact OD2-NE 3.18Å; D25-R27 PolarHBondContact OD2-NE 2.9Å; D25-R27 IonicContact OD2-NH2 2.9Å; D25-R27 PolarHBondContact OD2-NH2 2.69Å; D25-K40 PolarHBondContact N-O 3.33Å; D25-K40 PolarHBondContact O-N 2.71Å; D25-L42 HydrophobicContact CB-CG 4.5Å
26V94.4Very high87.9Confident0 Ų053.9 Ų53.90%028%0.281CS..EExtended strand (participates in β ladder)trans-110.9127.5-179.2-1760000108.9S4 G5 F7 V9 C24 L37 C38 I39 I120 W131S4-V26 WeakPolarHBondContact CA-O 3.5Å; G5-V26 PolarHBondContact N-O 3.16Å; G5-V26 PolarHBondContact O-N 3.46Å; F7-V26 HydrophobicContact CB-CG2 4.18Å; F7-V26 HydrophobicContact CD2-CB 3.73Å; F7-V26 HydrophobicContact CD2-CG2 3.71Å; F7-V26 HydrophobicContact CE2-CB 4.21Å; F7-V26 HydrophobicContact CG-CG2 4.37Å; V9-V26 HydrophobicContact CG2-CG2 3.99Å; C24-V26 HydrophobicContact CB-CG2 4.31Å; V26-L37 HydrophobicContact CG1-CD2 4.14Å; V26-C38 CarbonylContact C-O 3.53Å; V26-C38 WeakPolarHBondContact CA-O 3.4Å; V26-I39 HydrophobicContact CG1-CG1 4.18Å; V26-I39 HydrophobicContact CG2-CG1 4.24Å; V26-I39 HydrophobicContact CG2-CG2 4.4Å; V26-I120 HydrophobicContact CG1-CD1 4.41Å; V26-W131 HydrophobicContact CG1-CH2 4.2Å; V26-W131 HydrophobicContact CG1-CZ3 4.16Å; V26-W131 WeakPolarHBondContact O-CH2 3.48Å
27R93.2Very high88.3Confident121 Ų12152 Ų5246%0.45727%0.266SS..EExtended strand (participates in β ladder)trans-125139.4-177.2-70.1173.6-167.7-135.8-3.4111.7L3 S4 D25 C38L3-R27 VanDerWaalsContact O-CA 3.27Å; L3-R27 WeakPolarHBondContact O-CA 3.49Å; S4-R27 WeakPolarHBondContact OG-CG 3.3Å; S4-R27 PolarHBondContact OG-NE 2.9Å; S4-R27 VanDerWaalsContact OG-NE 3.16Å; D25-R27 IonicContact OD1-NE 3.25Å; D25-R27 IonicContact OD2-CZ 3.97Å; D25-R27 IonicContact OD2-NE 3.18Å; D25-R27 PolarHBondContact OD2-NE 2.9Å; D25-R27 IonicContact OD2-NH2 2.9Å; D25-R27 PolarHBondContact OD2-NH2 2.69Å; R27-C38 HydrophobicContact CB-CB 4.32Å; R27-C38 PolarHBondContact N-O 2.72Å; R27-C38 PolarHBondContact O-N 2.84Å
28L92.2Very high88.6Confident5 Ų553 Ų533%0.02627%0.273CS..EExtended strand (participates in β ladder)trans-84.8119.8169-163.676.5000109.7M1 L3 T30 T35 L37 L84 W131 I134M1-L28 VanDerWaalsContact O-O 3.07Å; L3-L28 HydrophobicContact CB-CB 4.24Å; L3-L28 PolarHBondContact O-N 2.82Å; L28-T30 HydrophobicContact CD2-CG2 4.3Å; L28-T35 HydrophobicContact CD1-CG2 3.55Å; L28-T35 HydrophobicContact CD2-CG2 4.22Å; L28-T35 HydrophobicContact CG-CG2 3.78Å; L28-L37 HydrophobicContact CD1-CD2 3.92Å; L28-L84 HydrophobicContact CD1-CD1 3.84Å; L28-W131 HydrophobicContact CB-CZ3 4.43Å; L28-I134 HydrophobicContact CD2-CG2 3.73Å
29L89.1Confident88.9Confident71 Ų7148.6 Ų48.637%0.37225%0.253SS..EExtended strand (participates in β ladder)trans-110.4118.7173.1-59.5-176.7000109.3T35 F36 C38 L81L29-T35 CarbonylContact O-C 3.55Å; L29-T35 WeakPolarHBondContact O-CA 3.3Å; L29-F36 HydrophobicContact CB-CB 4.47Å; L29-F36 PolarHBondContact N-O 3.02Å; L29-F36 PolarHBondContact O-N 2.77Å; L29-C38 HydrophobicContact CD1-CB 3.62Å; L29-C38 HydrophobicContact CG-CB 3.88Å; L29-L81 HydrophobicContact CD1-CD2 4Å
30T84.9Confident89.4Confident73 Ų7349.4 Ų49.445%0.44825%0.252SS..EExtended strand (participates in β ladder)trans-106.5117.5178.951.20000109.8M1 L28 T35M1-T30 PolarHBondContact N-OG1 3.43Å; L28-T30 HydrophobicContact CD2-CG2 4.3Å; T30-T35 HydrophobicContact CG2-CG2 3.8Å
31D78.9Confident89.6Confident113 Ų11347 Ų4760%0.60424%0.24SC*.  trans-97.2178166.7-156.7-11.8000109.4T33 D34D31-T33 VanDerWaalsContact C-N 3.31Å; D31-T33 PolarHBondContact O-N 3.17Å; D31-D34 PolarHBondContact N-O 3.16Å
32D77.3Confident89.3Confident137 Ų13747.6 Ų47.673%0.73325%0.245SC*.SBendtrans-69.7-25.2179.7-88.7-34.7000113.4
33T78.8Confident88.4Confident93 Ų9350.2 Ų50.257%0.57126%0.264SS*.SBendtrans-102.7-36.4179.264.60000114.3D31D31-T33 VanDerWaalsContact C-N 3.31Å; D31-T33 PolarHBondContact O-N 3.17Å
34D83.2Confident86.7Confident41 Ų4151.5 Ų51.522%0.21928%0.275CS..  trans-139.2163.5-164-74.4-90.1000112.2D31 F36 N83 S85D31-D34 PolarHBondContact N-O 3.16Å; D34-F36 HydrophobicContact CB-CE2 3.67Å; D34-F36 HydrophobicContact CB-CZ 3.81Å; D34-N83 PolarHBondContact OD1-ND2 3.27Å; D34-N83 PolarHBondContact OD1-OD1 2.89Å; D34-S85 WeakPolarHBondContact OD1-CB 3.41Å; D34-S85 PolarHBondContact OD1-OG 3.06Å
35T89.7Confident84.6Confident26 Ų2655.1 Ų55.116%0.1630%0.301CS..EExtended strand (participates in β ladder)trans-130.9125.6176.7-57.80000109.8L28 L29 T30 N83 L84 C138L28-T35 HydrophobicContact CD1-CG2 3.55Å; L28-T35 HydrophobicContact CD2-CG2 4.22Å; L28-T35 HydrophobicContact CG-CG2 3.78Å; L29-T35 CarbonylContact O-C 3.55Å; L29-T35 WeakPolarHBondContact O-CA 3.3Å; T30-T35 HydrophobicContact CG2-CG2 3.8Å; T35-N83 PolarHBondContact O-OD1 2.85Å; T35-L84 HydrophobicContact CG2-CD1 4.06Å; T35-L84 WeakPolarHBondContact O-CB 3.33Å; T35-L84 PolarHBondContact O-N 3.06Å; T35-C138 HydrophobicContact CG2-CB 4.36Å
36F91Very high82.8Confident57 Ų5756 Ų5625%0.2531%0.306CS..EExtended strand (participates in β ladder)trans-113.3140.6-174.6-54.9-97.8000110.9L29 D34 L81 C82 N83L29-F36 HydrophobicContact CB-CB 4.47Å; L29-F36 PolarHBondContact N-O 3.02Å; L29-F36 PolarHBondContact O-N 2.77Å; D34-F36 HydrophobicContact CB-CE2 3.67Å; D34-F36 HydrophobicContact CB-CZ 3.81Å; F36-L81 HydrophobicContact CB-CD2 4.22Å; F36-C82 CarbonylContact C-O 3.58Å; F36-C82 WeakPolarHBondContact CA-O 3.48Å; F36-N83 HydrophobicContact CD1-CB 3.66Å; F36-N83 HydrophobicContact CE1-CB 3.59Å; F36-N83 HydrophobicContact CZ-CB 4.48Å
37L93.1Very high80.8Confident0 Ų060.2 Ų60.20%033%0.329CS..EExtended strand (participates in β ladder)trans-82.8118.6156.6-66.1172.4000108.1V26 L28 L81 C82 L84 L107 L118 I120 W131V26-L37 HydrophobicContact CG1-CD2 4.14Å; L28-L37 HydrophobicContact CD1-CD2 3.92Å; L37-L81 WeakPolarHBondContact O-CA 3.37Å; L37-C82 HydrophobicContact CB-CB 4.31Å; L37-C82 PolarHBondContact N-O 2.96Å; L37-C82 PolarHBondContact O-N 3.05Å; L37-L84 HydrophobicContact CD1-CD2 3.75Å; L37-L84 HydrophobicContact CG-CD1 4.33Å; L37-L84 HydrophobicContact CG-CD2 3.93Å; L37-L84 HydrophobicContact CG-CG 4.22Å; L37-L107 HydrophobicContact CD1-CD1 3.63Å; L37-L118 HydrophobicContact CD1-CD2 4.29Å; L37-I120 HydrophobicContact CD1-CD1 3.79Å; L37-W131 HydrophobicContact CD2-CE3 4.22Å; L37-W131 HydrophobicContact CD2-CZ3 3.68Å
38C93.7Very high78.4Confident22 Ų2260.4 Ų60.415%0.14934%0.338CS..EExtended strand (participates in β ladder)trans-95.7110.8170.3-176.20000108.4V26 R27 L29 L81V26-C38 CarbonylContact C-O 3.53Å; V26-C38 WeakPolarHBondContact CA-O 3.4Å; R27-C38 HydrophobicContact CB-CB 4.32Å; R27-C38 PolarHBondContact N-O 2.72Å; R27-C38 PolarHBondContact O-N 2.84Å; L29-C38 HydrophobicContact CD1-CB 3.62Å; L29-C38 HydrophobicContact CG-CB 3.88Å; C38-L81 HydrophobicContact CB-CD2 3.73Å
39I94.2Very high75.9Confident0 Ų066.2 Ų66.20%037%0.369CS..EExtended strand (participates in β ladder)trans-107.6115.3-175.6-59.3169.6000107.7V9 I14 C24 V26 F78 T79 A80 L118V9-I39 HydrophobicContact CB-CG2 4.41Å; V9-I39 HydrophobicContact CG1-CD1 4.35Å; V9-I39 HydrophobicContact CG1-CG2 4.22Å; V9-I39 HydrophobicContact CG2-CG2 4.01Å; I14-I39 HydrophobicContact CD1-CD1 4.09Å; C24-I39 HydrophobicContact CB-CG2 3.74Å; V26-I39 HydrophobicContact CG1-CG1 4.18Å; V26-I39 HydrophobicContact CG2-CG1 4.24Å; V26-I39 HydrophobicContact CG2-CG2 4.4Å; I39-F78 HydrophobicContact CG2-CE2 4.28Å; I39-T79 CarbonylContact O-C 3.56Å; I39-T79 VanDerWaalsContact O-CA 3.3Å; I39-T79 WeakPolarHBondContact O-CA 3.27Å; I39-A80 PolarHBondContact N-O 3.01Å; I39-A80 PolarHBondContact O-N 3.42Å; I39-L118 HydrophobicContact CD1-CD1 3.82Å; I39-L118 HydrophobicContact CD1-CD2 3.96Å
40K93.4Very high73.8Confident117 Ų11767.9 Ų67.951%0.50938%0.375SS..EExtended strand (participates in β ladder)trans-120.4118.5-178.9-178.9177.5179.7-175.20110.3C24 D25 L42 T79C24-K40 CarbonylContact C-O 3.6Å; C24-K40 VanDerWaalsContact CA-O 3.24Å; C24-K40 WeakPolarHBondContact CA-O 3.49Å; C24-K40 WeakPolarHBondContact CB-O 3.27Å; D25-K40 PolarHBondContact N-O 3.33Å; D25-K40 PolarHBondContact O-N 2.71Å; K40-L42 PolarHBondContact O-N 3.36Å; K40-T79 HydrophobicContact CB-CG2 4.42Å
41S92.2Very high71.8Confident8 Ų871.2 Ų71.26%0.05639%0.39CS..EExtended strand (participates in β ladder)trans-61.1135.2176.461.80000111.2P77 F78S41-P77 VanDerWaalsContact OG-CA 3.28Å; S41-P77 WeakPolarHBondContact OG-CA 3.19Å; S41-F78 PolarHBondContact N-O 2.79Å; S41-F78 PolarHBondContact OG-N 3.5Å; S41-F78 PolarHBondContact OG-O 2.97Å
42L85.4Confident69.7Low47 Ų4771.8 Ų71.825%0.24639%0.393CS..PPolyproline II helixtrans-81.7135.9170.4-72.7161.6000109.7R6 L23 D25 K40 V46R6-L42 HydrophobicContact CG-CD1 4.35Å; L23-L42 HydrophobicContact CD2-CD1 4.33Å; L23-L42 HydrophobicContact CG-CD1 4.11Å; L23-L42 PolarHBondContact O-N 3.26Å; D25-L42 HydrophobicContact CB-CG 4.5Å; K40-L42 PolarHBondContact O-N 3.36Å; L42-V46 HydrophobicContact CD2-CG2 4.49Å
43P71.6Confident67.5Low73 Ų7372.5 Ų72.547%0.47440%0.397SS..PPolyproline II helixtrans-69.6143.8175.429.5-33.3000110.3S45 V46P43-S45 PolarHBondContact O-N 2.87Å; P43-V46 HydrophobicContact CG-CG2 4.24Å; P43-V46 PolarHBondContact O-N 3.03Å
44S56.2Low65.3Low55 Ų5573.8 Ų73.839%0.38541%0.409SS..THydrogen-bonded Turntrans-57.9-18.6-168.8-43.60000115.6V46 L47 F73S44-V46 PolarHBondContact O-N 3.32Å; S44-L47 PolarHBondContact O-N 3.23Å; S44-F73 WeakPolarHBondContact OG-CD1 3.25Å
45S51.1Low63Low77 Ų7779.5 Ų79.554%0.53844%0.437SS..THydrogen-bonded Turntrans-64.1-24.4175.349.90000113.9P43 L47 L48P43-S45 PolarHBondContact O-N 2.87Å; S45-L47 VanDerWaalsContact C-N 3.35Å; S45-L47 PolarHBondContact O-N 3.49Å; S45-L48 PolarHBondContact O-N 2.94Å
46V55Low60.5Low39 Ų3987 Ų8724%0.23647%0.47CS..THydrogen-bonded Turntrans-66.4-37.8180-1790000111.4L42 P43 S44 L48 N49L42-V46 HydrophobicContact CD2-CG2 4.49Å; P43-V46 HydrophobicContact CG-CG2 4.24Å; P43-V46 PolarHBondContact O-N 3.03Å; S44-V46 PolarHBondContact O-N 3.32Å; V46-L48 PolarHBondContact O-N 2.79Å; V46-N49 PolarHBondContact O-N 3.34Å
47L51.6Low57.8Low90 Ų9091.8 Ų91.847%0.47150%0.499SS..Hα-helixtrans-66.1-20.2-180-81.8165.9000114L23 S44 S45L23-L47 HydrophobicContact CD2-CD1 4.46Å; L23-L47 HydrophobicContact CD2-CD2 3.86Å; L23-L47 HydrophobicContact CD2-CG 4.14Å; S44-L47 PolarHBondContact O-N 3.23Å; S45-L47 VanDerWaalsContact C-N 3.35Å; S45-L47 PolarHBondContact O-N 3.49Å
48L43.9Very low55.1Low124 Ų12497.1 Ų97.165%0.64954%0.536SS*.Hα-helixtrans-85.2-12.3178.1-73.8168.4000113.5S45 V46 N52S45-L48 PolarHBondContact O-N 2.94Å; V46-L48 PolarHBondContact O-N 2.79Å; L48-N52 PolarHBondContact O-ND2 3.07Å
49N39.2Very low52.6Low128 Ų128102.5 Ų102.568%0.68457%0.568SS**Hα-helixtrans-100.9-20.1-174.4-95.564.5000114.5V46V46-N49 PolarHBondContact O-N 3.34Å
50E45.4Very low50Low105 Ų105110 Ų11049%0.49161%0.608SS.*Hα-helixtrans-92.7-22.6-174.3-71.1177.4168.600114R6R6-E50 IonicContact CZ-OE1 2.7Å; R6-E50 VanDerWaalsContact CZ-OE1 3.25Å; R6-E50 IonicContact CZ-OE2 3.14Å; R6-E50 IonicContact NH1-OE1 2.7Å; R6-E50 PolarHBondContact NH1-OE1 2.97Å; R6-E50 IonicContact NH1-OE2 2.76Å; R6-E50 PolarHBondContact NH1-OE2 3.23Å; R6-E50 IonicContact NH2-OE1 3.25Å; R6-E50 PolarHBondContact NH2-OE1 3.36Å; R6-E50 IonicContact NH2-OE2 2.71Å
51N43.1Very low47.3Very low144 Ų144113 Ų11377%0.7762%0.621SS**SBendtrans-82.7-7.9173.5-77.923000114.1N53N51-N53 PolarHBondContact O-N 3.42Å
52N34.4Very low44.7Very low125 Ų125120.4 Ų120.467%0.66866%0.659SS**  trans-97.951.4-174.4-77-50.3000113L48L48-N52 PolarHBondContact O-ND2 3.07Å
53N31.2Very low42.3Very low152 Ų152123.8 Ų123.881%0.81368%0.684SS**  trans-126.248.3170.3-96.3-36.3000111.3N51N51-N53 PolarHBondContact O-N 3.42Å
54C32.9Very low40.6Very low120 Ų120129.1 Ų129.181%0.81170%0.703SS**SBendtrans-133.491.5167.2-90.90000110.3
55I35.2Very low39.5Very low160 Ų160136.4 Ų136.482%0.82173%0.727SS**  trans30.8104.3151.8-52.8177.5000115.6N57I55-N57 PolarHBondContact O-N 3.1Å
56E35.6Very low38.5Very low183 Ų183137.7 Ų137.786%0.85574%0.736SS**  trans-54.2129161.1-61.3175.4110.300110.5
57N34.7Very low37.3Very low158 Ų158141.8 Ų141.885%0.84576%0.764SS**  trans-173.9157.5141.1-102.5-57.2000112.5I55I55-N57 PolarHBondContact O-N 3.1Å
58S37.9Very low36.3Very low113 Ų113146.6 Ų146.679%0.7978%0.777SS**  trans68.8109.9179.3-148.70000116.3
59V39.7Very low35.7Very low135 Ų135149.9 Ų149.982%0.81878%0.781SS**  trans-98.8122.2172.8174.10000109
60D39.5Very low35.8Very low157 Ų157148.2 Ų148.284%0.8478%0.777SS**  trans-147.8165.1161.8-106.7-45.7000111.5
61K36.9Very low35.3Very low181 Ų181149.3 Ų149.379%0.78778%0.782SS**  trans-110.4150.5-154.6-62179.4-179176.40116.1
62L38.9Very low35.3Very low163 Ų163147.6 Ų147.685%0.85377%0.773SS**  trans71.2159.1156.6-114.870.7000117.1
63P34.2Very low36Very low117 Ų117146.7 Ų146.776%0.7676%0.763SS**  cis-116.5177.8-19.610.514000113.5
64E35.1Very low36.9Very low186 Ų186141.2 Ų141.287%0.86974%0.739SS**  trans-71.5126.7177.6-58.6165.6100.300113.6
65K34.1Very low38.1Very low208 Ų208142.7 Ų142.790%0.90475%0.745SS**  172.197.6127.5-95.7164.9-178.2174.70111.6
66S30Very low39.8Very low104 Ų104144.7 Ų144.773%0.72774%0.742SS**  trans-110.2113.9163.9179.40000109.3Y68S66-Y68 PolarHBondContact O-N 3.22Å; S66-Y68 VanDerWaalsContact O-N 3.07Å
67P29.9Very low42.1Very low125 Ų125140.8 Ų140.881%0.81273%0.732SS**  trans-85.947.6-176.736.5-36.6000112.3
68Y31.2Very low44.6Very low190 Ų190134.9 Ų134.975%0.74570%0.699SS**  trans-132.478.7174.9-108-88.8000111.1S66S66-Y68 PolarHBondContact O-N 3.22Å; S66-Y68 VanDerWaalsContact O-N 3.07Å
69R30.9Very low47.2Very low193 Ų193133.7 Ų133.773%0.72869%0.687SS**  trans-117113.7167.3-163.4-179.4-162-145.316.4108E71R69-E71 WeakPolarHBondContact CD-OE1 3.38Å; R69-E71 IonicContact CZ-OE1 3.64Å; R69-E71 IonicContact NE-OE1 2.69Å; R69-E71 IonicContact NH1-OE1 3.71Å; R69-E71 PolarHBondContact NH1-OE1 2.98Å; R69-E71 PolarHBondContact O-N 2.73Å
70P40.1Very low49.7Very low94 Ų94128.1 Ų128.161%0.6166%0.656SS**  trans-69.398.7174.6-16.430.7000108.9N72 F73P70-N72 VanDerWaalsContact C-N 3.3Å; P70-N72 PolarHBondContact O-N 3.44Å; P70-F73 WeakPolarHBondContact O-CE2 3.41Å
71E36.1Very low52.1Low128 Ų128125.9 Ų125.960%0.59864%0.643SS**  trans-81.4-8.9-176.2-68.5-107120.800113.1R69 F73R69-E71 WeakPolarHBondContact CD-OE1 3.38Å; R69-E71 IonicContact CZ-OE1 3.64Å; R69-E71 IonicContact NE-OE1 2.69Å; R69-E71 IonicContact NH1-OE1 3.71Å; R69-E71 PolarHBondContact NH1-OE1 2.98Å; R69-E71 PolarHBondContact O-N 2.73Å; E71-F73 VanDerWaalsContact C-N 3.3Å; E71-F73 PolarHBondContact O-N 3.25Å
72N43.5Very low54.6Low107 Ų107117.6 Ų117.657%0.57261%0.607SS**  trans-83.167.3-174-66.513.3000112.4D20 P70D20-N72 HydrophobicContact CB-CB 4.42Å; D20-N72 PolarHBondContact OD1-ND2 3.31Å; D20-N72 PolarHBondContact OD2-ND2 2.82Å; P70-N72 VanDerWaalsContact C-N 3.3Å; P70-N72 PolarHBondContact O-N 3.44Å
73F48Very low57Low106 Ų106110.6 Ų110.647%0.46557%0.571SS.*  trans-95.4132173-67.3-73.9000112S44 P70 E71 T75S44-F73 WeakPolarHBondContact OG-CD1 3.25Å; P70-F73 WeakPolarHBondContact O-CE2 3.41Å; E71-F73 VanDerWaalsContact C-N 3.3Å; E71-F73 PolarHBondContact O-N 3.25Å; F73-T75 PolarHBondContact O-N 3.2Å; F73-T75 VanDerWaalsContact O-N 3.08Å
74A51.6Low59.7Low37 Ų37105 Ų10531%0.30654%0.535SS..  trans-63.6112.7163.700000110.3A16 I22 R76A16-A74 HydrophobicContact CB-CB 3.91Å; I22-A74 HydrophobicContact CD1-CB 3.52Å; A74-R76 PolarHBondContact O-N 3.24Å
75T56.9Low62Low152 Ų15297.1 Ų97.193%0.93350%0.5SS*.SBendtrans-66.63.8-174.849.60000115.2F73F73-T75 PolarHBondContact O-N 3.2Å; F73-T75 VanDerWaalsContact O-N 3.08Å
76R71.8Confident64.4Low202 Ų20290.1 Ų90.176%0.76247%0.471SS*.SBendtrans-152.6134.1174.4-164.2176.3-174.1-171.51110.9A74A74-R76 PolarHBondContact O-N 3.24Å
77P82.6Confident67.1Low100 Ų10085.4 Ų85.465%0.64944%0.437SS*.  trans-64.9144.2173.927.7-35000111.2S41S41-P77 VanDerWaalsContact OG-CA 3.28Å; S41-P77 WeakPolarHBondContact OG-CA 3.19Å
78F88.6Confident69.8Low34 Ų3483.5 Ų83.515%0.14942%0.416CS..  trans-129.8167179.767.7-96.9000112.2I14 A16 A17 I22 I39 S41I14-F78 HydrophobicContact CG2-CD2 3.9Å; I14-F78 HydrophobicContact CG2-CE1 4.34Å; I14-F78 HydrophobicContact CG2-CE2 3.52Å; I14-F78 HydrophobicContact CG2-CG 4.48Å; I14-F78 HydrophobicContact CG2-CZ 3.76Å; A16-F78 HydrophobicContact CB-CD1 3.42Å; A16-F78 VanDerWaalsContact CB-CD1 3.42Å; A16-F78 HydrophobicContact CB-CE1 3.47Å; A16-F78 VanDerWaalsContact CB-CE1 3.47Å; A16-F78 HydrophobicContact CB-CG 4.35Å; A16-F78 HydrophobicContact CB-CZ 4.44Å; A17-F78 HydrophobicContact CB-CZ 4.37Å; I22-F78 HydrophobicContact CD1-CE1 3.96Å; I22-F78 HydrophobicContact CG2-CE1 4.16Å; I22-F78 HydrophobicContact CG2-CZ 4.37Å; I39-F78 HydrophobicContact CG2-CE2 4.28Å; S41-F78 PolarHBondContact N-O 2.79Å; S41-F78 PolarHBondContact OG-N 3.5Å; S41-F78 PolarHBondContact OG-O 2.97Å
79T92Very high72.5Confident88 Ų8877 Ų7754%0.5440%0.399SS..EExtended strand (participates in β ladder)trans-140.7133.4165-57.70000107.9I39 K40I39-T79 CarbonylContact O-C 3.56Å; I39-T79 VanDerWaalsContact O-CA 3.3Å; I39-T79 WeakPolarHBondContact O-CA 3.27Å; K40-T79 HydrophobicContact CB-CG2 4.42Å
80A91.3Very high75.3Confident19 Ų1968.4 Ų68.416%0.15737%0.368CS..EExtended strand (participates in β ladder)trans-124.8139.6179.300000109.7I14 I39I14-A80 HydrophobicContact CD1-CB 3.75Å; I14-A80 HydrophobicContact CG1-CB 3.99Å; I39-A80 PolarHBondContact N-O 3.01Å; I39-A80 PolarHBondContact O-N 3.42Å
81L91.3Very high77.7Confident110 Ų11065.6 Ų65.658%0.57635%0.35SS*.EExtended strand (participates in β ladder)trans-108.8134.1171.6-73164.8000108.4L29 F36 L37 C38L29-L81 HydrophobicContact CD1-CD2 4Å; F36-L81 HydrophobicContact CB-CD2 4.22Å; L37-L81 WeakPolarHBondContact O-CA 3.37Å; C38-L81 HydrophobicContact CB-CD2 3.73Å
82C89.2Confident80.4Confident6 Ų662.6 Ų62.64%0.04134%0.337CS..EExtended strand (participates in β ladder)trans-133.2105.1-175.4-620000108.7Y13 F36 L37 L84 Y87 L118Y13-C82 PolarHBondContact OH-SG 2.82Å; F36-C82 CarbonylContact C-O 3.58Å; F36-C82 WeakPolarHBondContact CA-O 3.48Å; L37-C82 HydrophobicContact CB-CB 4.31Å; L37-C82 PolarHBondContact N-O 2.96Å; L37-C82 PolarHBondContact O-N 3.05Å; C82-L84 PolarHBondContact O-N 2.67Å; C82-Y87 HydrophobicContact CB-CE2 4.38Å; C82-L118 HydrophobicContact CB-CD2 4.36Å
83N89.2Confident82.7Confident16 Ų1663.4 Ų63.49%0.08633%0.332CS..EExtended strand (participates in β ladder)trans-72.1120.8-177-170.8-8.6000110.9D34 T35 F36 S85 E86 Y87D34-N83 PolarHBondContact OD1-ND2 3.27Å; D34-N83 PolarHBondContact OD1-OD1 2.89Å; T35-N83 PolarHBondContact O-OD1 2.85Å; F36-N83 HydrophobicContact CD1-CB 3.66Å; F36-N83 HydrophobicContact CE1-CB 3.59Å; F36-N83 HydrophobicContact CZ-CB 4.48Å; N83-S85 VanDerWaalsContact CG-OG 3.31Å; N83-S85 PolarHBondContact ND2-OG 2.87Å; N83-S85 VanDerWaalsContact ND2-OG 3.08Å; N83-S85 PolarHBondContact O-N 2.81Å; N83-S85 PolarHBondContact OD1-N 2.89Å; N83-S85 PolarHBondContact OD1-OG 2.94Å; N83-S85 VanDerWaalsContact OD1-OG 3.12Å; N83-E86 HydrophobicContact CB-CG 4.1Å; N83-E86 WeakPolarHBondContact O-CB 3.4Å; N83-E86 PolarHBondContact O-N 2.91Å; N83-Y87 WeakPolarHBondContact O-CD2 3.35Å
84L89.6Confident84.7Confident0 Ų063 Ų630%034%0.338CS..G310 helixtrans-65.7-20.9178-66.9179000112.9L28 T35 L37 C82 E86 Y87 L107 C138L28-L84 HydrophobicContact CD1-CD1 3.84Å; T35-L84 HydrophobicContact CG2-CD1 4.06Å; T35-L84 WeakPolarHBondContact O-CB 3.33Å; T35-L84 PolarHBondContact O-N 3.06Å; L37-L84 HydrophobicContact CD1-CD2 3.75Å; L37-L84 HydrophobicContact CG-CD1 4.33Å; L37-L84 HydrophobicContact CG-CD2 3.93Å; L37-L84 HydrophobicContact CG-CG 4.22Å; C82-L84 PolarHBondContact O-N 2.67Å; L84-E86 VanDerWaalsContact C-N 3.26Å; L84-E86 PolarHBondContact O-N 2.78Å; L84-Y87 HydrophobicContact CD2-CD2 4.45Å; L84-Y87 PolarHBondContact O-N 2.84Å; L84-Y87 VanDerWaalsContact O-N 3.12Å; L84-L107 HydrophobicContact CD2-CD2 3.95Å; L84-C138 HydrophobicContact CB-CB 3.91Å; L84-C138 HydrophobicContact CD1-CB 3.55Å; L84-C138 HydrophobicContact CG-CB 4.38Å
85S84.5Confident86.5Confident21 Ų2164.3 Ų64.315%0.14734%0.338CS..G310 helixtrans-72.8-17.9172.481.40000113.1D34 N83 Y87D34-S85 WeakPolarHBondContact OD1-CB 3.41Å; D34-S85 PolarHBondContact OD1-OG 3.06Å; N83-S85 VanDerWaalsContact CG-OG 3.31Å; N83-S85 PolarHBondContact ND2-OG 2.87Å; N83-S85 VanDerWaalsContact ND2-OG 3.08Å; N83-S85 PolarHBondContact O-N 2.81Å; N83-S85 PolarHBondContact OD1-N 2.89Å; N83-S85 PolarHBondContact OD1-OG 2.94Å; N83-S85 VanDerWaalsContact OD1-OG 3.12Å; S85-Y87 VanDerWaalsContact C-N 3.27Å
86E84Confident88.1Confident61 Ų6160.5 Ų60.529%0.28532%0.322SS..G310 helixtrans-76.5-10.5168-67.9175.9-136.300112.9N83 L84 S110 F113 K116N83-E86 HydrophobicContact CB-CG 4.1Å; N83-E86 WeakPolarHBondContact O-CB 3.4Å; N83-E86 PolarHBondContact O-N 2.91Å; L84-E86 VanDerWaalsContact C-N 3.26Å; L84-E86 PolarHBondContact O-N 2.78Å; E86-S110 WeakPolarHBondContact O-CB 3.33Å; E86-S110 PolarHBondContact O-N 3.48Å; E86-S110 PolarHBondContact O-OG 3.06Å; E86-F113 HydrophobicContact CB-CD2 4.34Å; E86-F113 HydrophobicContact CG-CD2 4.05Å; E86-F113 HydrophobicContact CG-CE2 3.78Å; E86-F113 WeakPolarHBondContact OE2-CD2 3.49Å; E86-K116 IonicContact OE2-NZ 3.92Å
87Y87.8Confident88.9Confident5 Ų551 Ų512%0.0229%0.287CS..EExtended strand (participates in β ladder)trans-101.2150.3-180-67.8-88.2000112.3Y13 C82 N83 L84 S85 L107 V108 S110 G140Y13-Y87 PolarHBondContact OH-OH 2.77Å; C82-Y87 HydrophobicContact CB-CE2 4.38Å; N83-Y87 WeakPolarHBondContact O-CD2 3.35Å; L84-Y87 HydrophobicContact CD2-CD2 4.45Å; L84-Y87 PolarHBondContact O-N 2.84Å; L84-Y87 VanDerWaalsContact O-N 3.12Å; S85-Y87 VanDerWaalsContact C-N 3.27Å; Y87-L107 HydrophobicContact CD1-CB 3.69Å; Y87-L107 HydrophobicContact CD1-CD2 4.3Å; Y87-L107 HydrophobicContact CE1-CB 3.73Å; Y87-L107 HydrophobicContact CG-CB 4.37Å; Y87-L107 HydrophobicContact CG-CD2 4.17Å; Y87-V108 WeakPolarHBondContact CD1-O 3.46Å; Y87-S110 PolarHBondContact O-OG 3.3Å; Y87-S110 VanDerWaalsContact O-OG 3.05Å; Y87-G140 PolarHBondContact O-N 2.91Å
88K85.5Confident89.1Confident84 Ų8451.3 Ų51.337%0.36528%0.283SS..EExtended strand (participates in β ladder)trans-107.7-37.5-170.2-174.8-178172.9-168.30112.4V108 S110 I139 L184K88-V108 PolarHBondContact N-O 2.96Å; K88-S110 WeakPolarHBondContact CA-OG 3.45Å; K88-S110 WeakPolarHBondContact CB-OG 3.4Å; K88-S110 PolarHBondContact N-OG 3.01Å; K88-I139 VanDerWaalsContact O-CG2 3.26Å; K88-I139 WeakPolarHBondContact O-CG2 3.46Å; K88-L184 VanDerWaalsContact NZ-CB 3.29Å
89S87.7Confident88.8Confident55 Ų5554.9 Ų54.939%0.38531%0.312SS..EExtended strand (participates in β ladder)trans-153.5159.4177.4620000110.4V108S89-V108 PolarHBondContact N-O 3.08Å; S89-V108 PolarHBondContact O-N 3.02Å
90C90.7Very high88.4Confident12 Ų1253.5 Ų53.58%0.08131%0.306CS..EExtended strand (participates in β ladder)trans-135.1145.5163.665.60000110.5L105 K106 L107 I139C90-L105 HydrophobicContact CB-CD1 3.77Å; C90-K106 VanDerWaalsContact CA-O 3.26Å; C90-K106 WeakPolarHBondContact CA-O 3.27Å; C90-L107 HydrophobicContact CB-CD2 3.74Å; C90-L107 HydrophobicContact CB-CG 4.11Å; C90-I139 HydrophobicContact CB-CD1 3.6Å; C90-I139 WeakPolarHBondContact SG-CD1 3.49Å
91S91Very high88.2Confident34 Ų3456.4 Ų56.424%0.23833%0.33CS..EExtended strand (participates in β ladder)trans-138136.8-175.161.40000109.7R93 K106S91-R93 PolarHBondContact OG-NH1 2.9Å; S91-K106 PolarHBondContact N-O 2.86Å; S91-K106 PolarHBondContact O-N 2.85Å
92M91.5Very high88.2Confident65 Ų6551.2 Ų51.232%0.3230%0.303SS..EExtended strand (participates in β ladder)trans-77.6142.8167.1-170.2161.975.400109.9A104 I128 L132M92-A104 CarbonylContact C-O 3.6Å; M92-A104 WeakPolarHBondContact CA-O 3.26Å; M92-I128 HydrophobicContact SD-CG2 3.6Å; M92-L132 HydrophobicContact CB-CD1 4.5Å; M92-L132 HydrophobicContact CB-CD2 4.12Å
93R91.3Very high88.4Confident125 Ų12553.8 Ų53.847%0.47231%0.314SS..EExtended strand (participates in β ladder)trans-144.9163.6171.4-78.5-17516576.90.3108.8S91 A104S91-R93 PolarHBondContact OG-NH1 2.9Å; R93-A104 PolarHBondContact N-O 2.81Å; R93-A104 PolarHBondContact O-N 3.35Å
94T91.1Very high88.7Confident97 Ų9753 Ų5360%0.59531%0.309SS*.EExtended strand (participates in β ladder)trans-89135163.3-460000108.6A101 S102T94-A101 HydrophobicContact CG2-CB 4.17Å; T94-S102 WeakPolarHBondContact CA-O 3.37Å
95E89.8Confident88.9Confident64 Ų6453.1 Ų53.130%0.29931%0.31SS..EExtended strand (participates in β ladder)trans-133154177.9-69.8-78.7175.300109.7W21 S102 A104 L119W21-E95 HydrophobicContact CH2-CB 4.33Å; W21-E95 HydrophobicContact CZ2-CB 3.97Å; W21-E95 HydrophobicContact CZ2-CG 4.44Å; E95-S102 PolarHBondContact N-O 3.27Å; E95-S102 PolarHBondContact O-N 2.77Å; E95-A104 HydrophobicContact CB-CB 3.88Å; E95-A104 HydrophobicContact CG-CB 3.49Å; E95-A104 VanDerWaalsContact CG-CB 3.49Å; E95-L119 HydrophobicContact CG-CD2 3.86Å; E95-L119 WeakPolarHBondContact OE1-CD2 3.35Å
96A90.2Very high89.4Confident73 Ų7354.6 Ų54.660%0.60331%0.314SS*.EExtended strand (participates in β ladder)trans-86.6116.8174.800000110.6W21 S100W21-A96 PolarHBondContact NE1-O 2.95Å; A96-S100 WeakPolarHBondContact CA-O 3.39Å
97V88.7Confident89.7Confident3 Ų351.7 Ų51.72%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-119.7116.3178.2-175.50000108F8 W21 S99 S100 A121F8-V97 HydrophobicContact CB-CG1 3.71Å; F8-V97 HydrophobicContact CD1-CG1 3.98Å; F8-V97 HydrophobicContact CD2-CG1 3.74Å; F8-V97 HydrophobicContact CE2-CG1 4.33Å; F8-V97 HydrophobicContact CG-CG1 3.52Å; W21-V97 HydrophobicContact CB-CG1 4.19Å; W21-V97 HydrophobicContact CD2-CG1 4.27Å; W21-V97 HydrophobicContact CD2-CG2 3.97Å; W21-V97 HydrophobicContact CE3-CG2 4.33Å; W21-V97 HydrophobicContact CG-CG1 4.02Å; W21-V97 HydrophobicContact CG-CG2 4.44Å; W21-V97 HydrophobicContact CH2-CG2 4.28Å; W21-V97 HydrophobicContact CZ2-CG2 3.92Å; W21-V97 HydrophobicContact CZ3-CG2 4.47Å; V97-S99 PolarHBondContact O-N 3.12Å; V97-S99 VanDerWaalsContact O-N 3.16Å; V97-S100 PolarHBondContact N-O 3.28Å; V97-S100 PolarHBondContact O-N 3Å; V97-A121 HydrophobicContact CG2-CB 3.9Å
98N85.4Confident89.6Confident105 Ų10553.8 Ų53.856%0.56131%0.313SS*.THydrogen-bonded Turntrans49.942.4178.2-56.3-25.8000113.8F8 S100F8-N98 WeakPolarHBondContact CE1-ND2 3.37Å; N98-S100 PolarHBondContact O-N 3.45Å
99S82.3Confident89.5Confident109 Ų10950.3 Ų50.376%0.76230%0.3SS*.THydrogen-bonded Turntrans68.2-2.1-174.5-53.40000116.8V97V97-S99 PolarHBondContact O-N 3.12Å; V97-S99 VanDerWaalsContact O-N 3.16Å
100S84.3Confident88.7Confident60 Ų6049.9 Ų49.942%0.4230%0.297SS..EExtended strand (participates in β ladder)trans-91.2152.9168.1-67.20000111.6A96 V97 N98A96-S100 WeakPolarHBondContact CA-O 3.39Å; V97-S100 PolarHBondContact N-O 3.28Å; V97-S100 PolarHBondContact O-N 3Å; N98-S100 PolarHBondContact O-N 3.45Å
101A87.7Confident87.2Confident80 Ų8051.3 Ų51.366%0.66131%0.306SS*.EExtended strand (participates in β ladder)trans-84.8120.7168.800000109.4T94T94-A101 HydrophobicContact CG2-CB 4.17Å
102S91.5Very high85.7Confident1 Ų155.4 Ų55.41%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-124.4155.4180-55.70000110.9T94 E95 T122T94-S102 WeakPolarHBondContact CA-O 3.37Å; E95-S102 PolarHBondContact N-O 3.27Å; E95-S102 PolarHBondContact O-N 2.77Å; S102-T122 WeakPolarHBondContact CB-O 3.45Å
103F93.4Very high84.1Confident59 Ų5957 Ų5726%0.25934%0.335SS..EExtended strand (participates in β ladder)trans-87.1126.5175.4-55.8-91.8000109.7A121 T122 E125 I128F103-A121 VanDerWaalsContact O-CA 3.27Å; F103-A121 WeakPolarHBondContact O-CA 3.47Å; F103-T122 PolarHBondContact N-O 3.28Å; F103-T122 PolarHBondContact O-N 3.12Å; F103-E125 HydrophobicContact CD1-CB 4.46Å; F103-E125 HydrophobicContact CD1-CG 4.17Å; F103-E125 HydrophobicContact CD2-CB 4.11Å; F103-E125 HydrophobicContact CE1-CB 4.16Å; F103-E125 HydrophobicContact CE1-CG 3.88Å; F103-E125 HydrophobicContact CE2-CB 3.79Å; F103-E125 HydrophobicContact CE2-CG 4.43Å; F103-E125 HydrophobicContact CG-CB 4.44Å; F103-E125 HydrophobicContact CZ-CB 3.81Å; F103-E125 HydrophobicContact CZ-CG 4.02Å; F103-I128 HydrophobicContact CB-CB 4.43Å; F103-I128 HydrophobicContact CB-CG2 3.65Å; F103-I128 HydrophobicContact CG-CG2 4.42Å
104A94.3Very high82.5Confident0 Ų053.1 Ų53.10%033%0.334CS..EExtended strand (participates in β ladder)trans-121.8126.2-172.500000112.6M92 R93 E95 K106 I120 A121M92-A104 CarbonylContact C-O 3.6Å; M92-A104 WeakPolarHBondContact CA-O 3.26Å; R93-A104 PolarHBondContact N-O 2.81Å; R93-A104 PolarHBondContact O-N 3.35Å; E95-A104 HydrophobicContact CB-CB 3.88Å; E95-A104 HydrophobicContact CG-CB 3.49Å; E95-A104 VanDerWaalsContact CG-CB 3.49Å; A104-K106 PolarHBondContact O-N 2.66Å; A104-I120 CarbonylContact C-O 3.51Å; A104-I120 WeakPolarHBondContact CA-O 3.39Å; A104-A121 HydrophobicContact CB-CB 3.91Å
105L95.1Very high81.2Confident2 Ų252.5 Ų52.51%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-82108.5166.4179.965.8000109.3C90 L107 L119 I120 I128 W131 L132 C135C90-L105 HydrophobicContact CB-CD1 3.77Å; L105-L107 HydrophobicContact CD2-CD1 4.48Å; L105-L119 WeakPolarHBondContact O-CA 3.47Å; L105-I120 PolarHBondContact N-O 3.16Å; L105-I120 PolarHBondContact O-N 2.89Å; L105-I128 HydrophobicContact CB-CD1 3.6Å; L105-I128 HydrophobicContact CB-CG1 4.1Å; L105-W131 HydrophobicContact CD2-CB 4.46Å; L105-L132 HydrophobicContact CD1-CB 4.07Å; L105-L132 HydrophobicContact CD1-CD1 3.38Å; L105-L132 HydrophobicContact CD1-CG 4.34Å; L105-C135 HydrophobicContact CD2-CB 4.25Å
106K93.6Very high80.5Confident53 Ų5351.9 Ų51.923%0.2332%0.324CS..EExtended strand (participates in β ladder)trans-92.3121.1172.2-177.8-179.1179.8179.20109.9C90 S91 A104 L119C90-K106 VanDerWaalsContact CA-O 3.26Å; C90-K106 WeakPolarHBondContact CA-O 3.27Å; S91-K106 PolarHBondContact N-O 2.86Å; S91-K106 PolarHBondContact O-N 2.85Å; A104-K106 PolarHBondContact O-N 2.66Å; K106-L119 HydrophobicContact CB-CG 4.44Å; K106-L119 HydrophobicContact CG-CG 4.42Å
107L91.8Very high80.1Confident0 Ų053.8 Ų53.80%032%0.318CS..EExtended strand (participates in β ladder)trans-100133.6176.2-79.6148.9000110.1L37 L84 Y87 C90 L105 L118 I120 I139L37-L107 HydrophobicContact CD1-CD1 3.63Å; L84-L107 HydrophobicContact CD2-CD2 3.95Å; Y87-L107 HydrophobicContact CD1-CB 3.69Å; Y87-L107 HydrophobicContact CD1-CD2 4.3Å; Y87-L107 HydrophobicContact CE1-CB 3.73Å; Y87-L107 HydrophobicContact CG-CB 4.37Å; Y87-L107 HydrophobicContact CG-CD2 4.17Å; C90-L107 HydrophobicContact CB-CD2 3.74Å; C90-L107 HydrophobicContact CB-CG 4.11Å; L105-L107 HydrophobicContact CD2-CD1 4.48Å; L107-L118 HydrophobicContact CB-CB 4.23Å; L107-L118 HydrophobicContact CD1-CD2 3.68Å; L107-L118 HydrophobicContact CD1-CG 4.09Å; L107-L118 PolarHBondContact N-O 3.46Å; L107-I120 HydrophobicContact CD1-CD1 4.11Å; L107-I139 HydrophobicContact CD2-CD1 3.84Å
108V85.3Confident80.3Confident48 Ų4853.7 Ų53.729%0.29132%0.317SS..EExtended strand (participates in β ladder)trans-121.3127.6-174.3-1760000111Y87 K88 S89Y87-V108 WeakPolarHBondContact CD1-O 3.46Å; K88-V108 PolarHBondContact N-O 2.96Å; S89-V108 PolarHBondContact N-O 3.08Å; S89-V108 PolarHBondContact O-N 3.02Å
109P83.8Confident80.7Confident12 Ų1249.7 Ų49.78%0.07830%0.296CS..EExtended strand (participates in β ladder)trans-76.5159.3-169.329.5-35.4000114.8S111 K116P109-S111 VanDerWaalsContact C-N 3.27Å; P109-S111 PolarHBondContact O-N 3.37Å; P109-S111 VanDerWaalsContact O-N 3.15Å; P109-K116 VanDerWaalsContact CD-O 3.28Å; P109-K116 WeakPolarHBondContact CD-O 3.43Å; P109-K116 HydrophobicContact CG-CB 4.43Å; P109-K116 WeakPolarHBondContact CG-O 3.5Å
110S70.4Confident81.3Confident46 Ų4644.7 Ų44.732%0.32226%0.261SS..  trans-84.941-179.4-69.30000114.4E86 Y87 K88 V112E86-S110 WeakPolarHBondContact O-CB 3.33Å; E86-S110 PolarHBondContact O-N 3.48Å; E86-S110 PolarHBondContact O-OG 3.06Å; Y87-S110 PolarHBondContact O-OG 3.3Å; Y87-S110 VanDerWaalsContact O-OG 3.05Å; K88-S110 WeakPolarHBondContact CA-OG 3.45Å; K88-S110 WeakPolarHBondContact CB-OG 3.4Å; K88-S110 PolarHBondContact N-OG 3.01Å; S110-V112 PolarHBondContact O-N 3.35Å
111S59.3Low81.8Confident41 Ų4141.8 Ų41.829%0.28724%0.241SC..SBendtrans57.139.6165.4-155.80000116.6P109 N187P109-S111 VanDerWaalsContact C-N 3.27Å; P109-S111 PolarHBondContact O-N 3.37Å; P109-S111 VanDerWaalsContact O-N 3.15Å; S111-N187 WeakPolarHBondContact OG-CB 3.26Å
112V59.6Low82.1Confident121 Ų12138.8 Ų38.873%0.73321%0.214SC*.SBendtrans-133.6-5.3162.4-144.30000112.9S110S110-V112 PolarHBondContact O-N 3.35Å
113F57.7Low82Confident98 Ų9844.8 Ų44.843%0.4324%0.242SC..SBendtrans-126.129.4-163.6-77.8-61.1000113.9E86 K116E86-F113 HydrophobicContact CB-CD2 4.34Å; E86-F113 HydrophobicContact CG-CD2 4.05Å; E86-F113 HydrophobicContact CG-CE2 3.78Å; E86-F113 WeakPolarHBondContact OE2-CD2 3.49Å; F113-K116 HydrophobicContact CB-CD 3.98Å; F113-K116 WeakPolarHBondContact O-CD 3.24Å; F113-K116 WeakPolarHBondContact O-CE 3.46Å; F113-K116 WeakPolarHBondContact O-CG 3.45Å
114G56.9Low81.9Confident44 Ų4445.2 Ų45.245%0.45425%0.247SC..THydrogen-bonded Turntrans63.3-164.3172.900000114.6K116G114-K116 PolarHBondContact O-N 3.05Å
115N63.6Low81.7Confident84 Ų8449.1 Ų49.145%0.44927%0.265SS..THydrogen-bonded Turntrans-69.121.8-175.165.514000115.1N12 K117N12-N115 PolarHBondContact ND2-O 2.84Å; N12-N115 PolarHBondContact ND2-OD1 3.46Å; N12-N115 VanDerWaalsContact ND2-OD1 3.1Å; N12-N115 PolarHBondContact OD1-O 3.06Å; N115-K117 PolarHBondContact O-N 3.48Å
116K74.9Confident81.5Confident51 Ų5154.6 Ų54.622%0.22229%0.294CS..  trans-57.9101.4-177.5-78.4-177.4-165.7176.10111.4N12 Y13 E86 P109 F113 G114N12-K116 WeakPolarHBondContact OD1-CA 3.48Å; Y13-K116 HydrophobicContact CD1-CB 3.59Å; Y13-K116 HydrophobicContact CD1-CD 4.08Å; Y13-K116 HydrophobicContact CD1-CG 3.56Å; Y13-K116 HydrophobicContact CE1-CB 3.99Å; Y13-K116 HydrophobicContact CE1-CD 4.47Å; Y13-K116 HydrophobicContact CE1-CG 4.27Å; Y13-K116 HydrophobicContact CG-CB 4.42Å; Y13-K116 HydrophobicContact CG-CD 4.22Å; Y13-K116 HydrophobicContact CG-CG 3.87Å; E86-K116 IonicContact OE2-NZ 3.92Å; P109-K116 VanDerWaalsContact CD-O 3.28Å; P109-K116 WeakPolarHBondContact CD-O 3.43Å; P109-K116 HydrophobicContact CG-CB 4.43Å; P109-K116 WeakPolarHBondContact CG-O 3.5Å; F113-K116 HydrophobicContact CB-CD 3.98Å; F113-K116 WeakPolarHBondContact O-CD 3.24Å; F113-K116 WeakPolarHBondContact O-CE 3.46Å; F113-K116 WeakPolarHBondContact O-CG 3.45Å; G114-K116 PolarHBondContact O-N 3.05Å
117K83Confident81.4Confident113 Ų11354.4 Ų54.449%0.49129%0.294SS..  trans-100.4131.2171.1-69162.6-172.7170.70108S11 N12 N115 L119S11-K117 VanDerWaalsContact CA-O 3.28Å; S11-K117 WeakPolarHBondContact CA-O 3.43Å; S11-K117 PolarHBondContact OG-O 2.92Å; N12-K117 PolarHBondContact N-O 3.46Å; N12-K117 PolarHBondContact OD1-N 2.69Å; N12-K117 PolarHBondContact OD1-O 3.07Å; N115-K117 PolarHBondContact O-N 3.48Å; K117-L119 HydrophobicContact CB-CD1 4.3Å
118L92.4Very high81.5Confident0 Ų054.4 Ų54.40%029%0.294CS..EExtended strand (participates in β ladder)trans-121123.3168.9171.261000108V9 Y13 L37 I39 C82 L107 I120V9-L118 HydrophobicContact CG1-CD1 3.69Å; Y13-L118 HydrophobicContact CE1-CB 4.07Å; Y13-L118 WeakPolarHBondContact OH-CD2 3.3Å; L37-L118 HydrophobicContact CD1-CD2 4.29Å; I39-L118 HydrophobicContact CD1-CD1 3.82Å; I39-L118 HydrophobicContact CD1-CD2 3.96Å; C82-L118 HydrophobicContact CB-CD2 4.36Å; L107-L118 HydrophobicContact CB-CB 4.23Å; L107-L118 HydrophobicContact CD1-CD2 3.68Å; L107-L118 HydrophobicContact CD1-CG 4.09Å; L107-L118 PolarHBondContact N-O 3.46Å; L118-I120 HydrophobicContact CD1-CG1 4.07Å; L118-I120 HydrophobicContact CD2-CD1 4.18Å; L118-I120 HydrophobicContact CG-CD1 4.33Å; L118-I120 HydrophobicContact CG-CG1 4.12Å
119L93.9Very high81.8Confident22 Ų2254.6 Ų54.612%0.11530%0.296CS..EExtended strand (participates in β ladder)trans-116.9134.1171.4-64.289.5000108.8V9 K10 W21 E95 L105 K106 K117V9-L119 WeakPolarHBondContact CA-O 3.45Å; K10-L119 PolarHBondContact N-O 2.87Å; K10-L119 PolarHBondContact O-N 2.96Å; W21-L119 HydrophobicContact CH2-CB 3.71Å; W21-L119 HydrophobicContact CH2-CD2 4.14Å; W21-L119 HydrophobicContact CZ3-CB 3.98Å; E95-L119 HydrophobicContact CG-CD2 3.86Å; E95-L119 WeakPolarHBondContact OE1-CD2 3.35Å; L105-L119 WeakPolarHBondContact O-CA 3.47Å; K106-L119 HydrophobicContact CB-CG 4.44Å; K106-L119 HydrophobicContact CG-CG 4.42Å; K117-L119 HydrophobicContact CB-CD1 4.3Å
120I94.9Very high82.1Confident3 Ų357.5 Ų57.52%0.01531%0.313CS..EExtended strand (participates in β ladder)trans-127.1119.2178.7-60.5177.4000105.9F7 V9 V26 L37 A104 L105 L107 L118F7-I120 HydrophobicContact CB-CG2 3.44Å; F7-I120 VanDerWaalsContact CB-CG2 3.44Å; F7-I120 HydrophobicContact CD1-CG2 3.53Å; F7-I120 HydrophobicContact CD2-CG2 3.86Å; F7-I120 HydrophobicContact CE1-CG2 4.26Å; F7-I120 HydrophobicContact CG-CG2 3.3Å; V9-I120 HydrophobicContact CG2-CG1 4.37Å; V26-I120 HydrophobicContact CG1-CD1 4.41Å; L37-I120 HydrophobicContact CD1-CD1 3.79Å; A104-I120 CarbonylContact C-O 3.51Å; A104-I120 WeakPolarHBondContact CA-O 3.39Å; L105-I120 PolarHBondContact N-O 3.16Å; L105-I120 PolarHBondContact O-N 2.89Å; L107-I120 HydrophobicContact CD1-CD1 4.11Å; L118-I120 HydrophobicContact CD1-CG1 4.07Å; L118-I120 HydrophobicContact CD2-CD1 4.18Å; L118-I120 HydrophobicContact CG-CD1 4.33Å; L118-I120 HydrophobicContact CG-CG1 4.12Å
121A94.8Very high83.2Confident0 Ų055.7 Ų55.70%030%0.299CS..EExtended strand (participates in β ladder)trans-128.5143.6-171.500000113.2F7 F8 W21 V97 F103 A104F7-A121 CarbonylContact C-O 3.6Å; F7-A121 WeakPolarHBondContact CA-O 3.3Å; F7-A121 WeakPolarHBondContact CB-O 3.34Å; F8-A121 PolarHBondContact N-O 3Å; F8-A121 PolarHBondContact O-N 2.86Å; W21-A121 HydrophobicContact CH2-CB 4.01Å; W21-A121 HydrophobicContact CZ3-CB 3.79Å; V97-A121 HydrophobicContact CG2-CB 3.9Å; F103-A121 VanDerWaalsContact O-CA 3.27Å; F103-A121 WeakPolarHBondContact O-CA 3.47Å; A104-A121 HydrophobicContact CB-CB 3.91Å
122T93.4Very high84.8Confident16 Ų1654.5 Ų54.510%0.09829%0.29CS..EExtended strand (participates in β ladder)trans-143.3165.8175.3-1780000108.9F7 S102 F103 D124 E127 I128F7-T122 HydrophobicContact CD1-CG2 4.01Å; F7-T122 HydrophobicContact CE1-CG2 3.68Å; S102-T122 WeakPolarHBondContact CB-O 3.45Å; F103-T122 PolarHBondContact N-O 3.28Å; F103-T122 PolarHBondContact O-N 3.12Å; T122-D124 WeakPolarHBondContact CG2-O 3.44Å; T122-E127 WeakPolarHBondContact CB-OE2 3.32Å; T122-E127 HydrophobicContact CG2-CB 4.31Å; T122-E127 HydrophobicContact CG2-CG 4.4Å; T122-E127 WeakPolarHBondContact CG2-OE2 3.19Å; T122-E127 PolarHBondContact OG1-OE2 2.89Å; T122-I128 HydrophobicContact CG2-CB 3.74Å; T122-I128 HydrophobicContact CG2-CD1 4.22Å; T122-I128 HydrophobicContact CG2-CG1 4.4Å
123E90.6Very high86.3Confident128 Ų12850.2 Ų50.260%0.59827%0.267SS*.SBendtrans-85-19.2176.4-67.1173.9-175.200111.9
124D90.4Very high87.9Confident67 Ų6747.3 Ų47.336%0.35826%0.256SS..  trans-89.1115.6177.9179.127.3000113.1T122 N126 E127 I128T122-D124 WeakPolarHBondContact CG2-O 3.44Å; D124-N126 PolarHBondContact O-N 3.44Å; D124-N126 WeakPolarHBondContact OD1-CB 3.22Å; D124-N126 PolarHBondContact OD1-N 3.21Å; D124-N126 PolarHBondContact OD1-ND2 2.81Å; D124-E127 HydrophobicContact CB-CB 4.04Å; D124-E127 WeakPolarHBondContact OD2-CB 3.45Å; D124-E127 PolarHBondContact OD2-N 2.82Å; D124-I128 PolarHBondContact O-N 3.26Å
125E90.7Very high89.5Confident82 Ų8245.2 Ų45.238%0.38323%0.234SC..Hα-helixtrans-60.3-31173.6-165.8176.9-179.500112.5F103 I128 T129F103-E125 HydrophobicContact CD1-CB 4.46Å; F103-E125 HydrophobicContact CD1-CG 4.17Å; F103-E125 HydrophobicContact CD2-CB 4.11Å; F103-E125 HydrophobicContact CE1-CB 4.16Å; F103-E125 HydrophobicContact CE1-CG 3.88Å; F103-E125 HydrophobicContact CE2-CB 3.79Å; F103-E125 HydrophobicContact CE2-CG 4.43Å; F103-E125 HydrophobicContact CG-CB 4.44Å; F103-E125 HydrophobicContact CZ-CB 3.81Å; F103-E125 HydrophobicContact CZ-CG 4.02Å; E125-I128 WeakPolarHBondContact O-CG2 3.24Å; E125-T129 WeakPolarHBondContact O-CB 3.28Å; E125-T129 PolarHBondContact O-N 2.84Å; E125-T129 PolarHBondContact O-OG1 3.02Å
126N90.5Very high90.8Very high117 Ų11747.1 Ų47.163%0.62624%0.238SC*.Hα-helixtrans-75.4-46.4-177.2-55.1-86.5000111.4D124 T129 T130D124-N126 PolarHBondContact O-N 3.44Å; D124-N126 WeakPolarHBondContact OD1-CB 3.22Å; D124-N126 PolarHBondContact OD1-N 3.21Å; D124-N126 PolarHBondContact OD1-ND2 2.81Å; N126-T129 PolarHBondContact O-N 2.84Å; N126-T130 WeakPolarHBondContact O-CB 3.48Å; N126-T130 PolarHBondContact O-N 2.94Å; N126-T130 PolarHBondContact O-OG1 2.93Å
127E92.2Very high91.3Very high49 Ų4947.8 Ų47.823%0.22925%0.247CC..Hα-helixtrans-54.8-57.3171.1-178.9178.2-140.100110.3F7 T122 D124 T129 T130 W131F7-E127 HydrophobicContact CE1-CG 3.91Å; F7-E127 HydrophobicContact CZ-CG 3.72Å; F7-E127 VanDerWaalsContact CZ-OE1 3.31Å; F7-E127 WeakPolarHBondContact CZ-OE1 3.35Å; T122-E127 WeakPolarHBondContact CB-OE2 3.32Å; T122-E127 HydrophobicContact CG2-CB 4.31Å; T122-E127 HydrophobicContact CG2-CG 4.4Å; T122-E127 WeakPolarHBondContact CG2-OE2 3.19Å; T122-E127 PolarHBondContact OG1-OE2 2.89Å; D124-E127 HydrophobicContact CB-CB 4.04Å; D124-E127 WeakPolarHBondContact OD2-CB 3.45Å; D124-E127 PolarHBondContact OD2-N 2.82Å; E127-T129 VanDerWaalsContact C-N 3.29Å; E127-T129 PolarHBondContact O-N 3.06Å; E127-T130 WeakPolarHBondContact O-CA 3.35Å; E127-T130 WeakPolarHBondContact O-CB 3.43Å; E127-T130 PolarHBondContact O-N 3.01Å; E127-W131 VanDerWaalsContact O-CD1 3.29Å; E127-W131 PolarHBondContact O-N 2.83Å
128I93.1Very high91.5Very high0 Ų043.5 Ų43.50%023%0.231CC..Hα-helixtrans-64.7-32.9-175.1-158.462.2000112.7F7 M92 F103 L105 T122 D124 E125 T130 W131 L132F7-I128 HydrophobicContact CE1-CD1 4.19Å; M92-I128 HydrophobicContact SD-CG2 3.6Å; F103-I128 HydrophobicContact CB-CB 4.43Å; F103-I128 HydrophobicContact CB-CG2 3.65Å; F103-I128 HydrophobicContact CG-CG2 4.42Å; L105-I128 HydrophobicContact CB-CD1 3.6Å; L105-I128 HydrophobicContact CB-CG1 4.1Å; T122-I128 HydrophobicContact CG2-CB 3.74Å; T122-I128 HydrophobicContact CG2-CD1 4.22Å; T122-I128 HydrophobicContact CG2-CG1 4.4Å; D124-I128 PolarHBondContact O-N 3.26Å; E125-I128 WeakPolarHBondContact O-CG2 3.24Å; I128-T130 VanDerWaalsContact C-N 3.34Å; I128-W131 PolarHBondContact O-N 2.87Å; I128-L132 VanDerWaalsContact O-CB 3.3Å; I128-L132 WeakPolarHBondContact O-CB 3.28Å; I128-L132 PolarHBondContact O-N 3.41Å
129T91.2Very high91.2Very high52 Ų5244.6 Ų44.632%0.31924%0.236SC..Hα-helixtrans-68.3-36.2175.6-65.60000111.2E125 N126 E127 L132 A133E125-T129 WeakPolarHBondContact O-CB 3.28Å; E125-T129 PolarHBondContact O-N 2.84Å; E125-T129 PolarHBondContact O-OG1 3.02Å; N126-T129 PolarHBondContact O-N 2.84Å; E127-T129 VanDerWaalsContact C-N 3.29Å; E127-T129 PolarHBondContact O-N 3.06Å; T129-L132 WeakPolarHBondContact O-CB 3.46Å; T129-L132 PolarHBondContact O-N 3.49Å; T129-A133 PolarHBondContact O-N 2.91Å
130T91.6Very high90Very high73 Ų7345.7 Ų45.745%0.44825%0.253SS..Hα-helixtrans-64.3-46.2172.6-56.50000110.7N126 E127 I128 L132 A133 I134N126-T130 WeakPolarHBondContact O-CB 3.48Å; N126-T130 PolarHBondContact O-N 2.94Å; N126-T130 PolarHBondContact O-OG1 2.93Å; E127-T130 WeakPolarHBondContact O-CA 3.35Å; E127-T130 WeakPolarHBondContact O-CB 3.43Å; E127-T130 PolarHBondContact O-N 3.01Å; I128-T130 VanDerWaalsContact C-N 3.34Å; T130-L132 PolarHBondContact O-N 2.81Å; T130-A133 PolarHBondContact O-N 3.39Å; T130-I134 HydrophobicContact CG2-CD1 4.04Å; T130-I134 WeakPolarHBondContact O-CG1 3.5Å; T130-I134 PolarHBondContact O-N 2.94Å
131W93.3Very high88.3Confident8 Ų851.4 Ų51.43%0.0328%0.278CS..Hα-helixtrans-67-33.9175.8-78.487.4000113.2L3 F7 V26 L28 L37 L105 E127 I128 I134 C135L3-W131 HydrophobicContact CB-CH2 4.36Å; L3-W131 HydrophobicContact CB-CZ2 4.35Å; L3-W131 HydrophobicContact CD2-CD2 3.69Å; L3-W131 VanDerWaalsContact CD2-CE2 3.43Å; L3-W131 HydrophobicContact CD2-CE3 3.95Å; L3-W131 HydrophobicContact CD2-CG 4.37Å; L3-W131 HydrophobicContact CD2-CH2 3.81Å; L3-W131 HydrophobicContact CD2-CZ2 3.52Å; L3-W131 HydrophobicContact CD2-CZ3 3.99Å; L3-W131 HydrophobicContact CG-CH2 4.02Å; L3-W131 HydrophobicContact CG-CZ2 3.58Å; F7-W131 HydrophobicContact CE2-CD2 4.31Å; F7-W131 AromaticContact CE2-CE2 3.74Å; F7-W131 AromaticContact CE2-CZ2 3.92Å; F7-W131 HydrophobicContact CE2-CZ2 3.92Å; F7-W131 AromaticContact CE2-NE1 3.8Å; F7-W131 AromaticContact CZ-CD1 3.55Å; F7-W131 HydrophobicContact CZ-CD2 4.17Å; F7-W131 AromaticContact CZ-CE2 3.75Å; F7-W131 HydrophobicContact CZ-CG 4.04Å; F7-W131 HydrophobicContact CZ-CZ2 4.38Å; F7-W131 AromaticContact CZ-NE1 3.37Å; V26-W131 HydrophobicContact CG1-CH2 4.2Å; V26-W131 HydrophobicContact CG1-CZ3 4.16Å; V26-W131 WeakPolarHBondContact O-CH2 3.48Å; L28-W131 HydrophobicContact CB-CZ3 4.43Å; L37-W131 HydrophobicContact CD2-CE3 4.22Å; L37-W131 HydrophobicContact CD2-CZ3 3.68Å; L105-W131 HydrophobicContact CD2-CB 4.46Å; E127-W131 VanDerWaalsContact O-CD1 3.29Å; E127-W131 PolarHBondContact O-N 2.83Å; I128-W131 PolarHBondContact O-N 2.87Å; W131-I134 PolarHBondContact O-N 2.97Å; W131-C135 VanDerWaalsContact O-CB 3.3Å; W131-C135 WeakPolarHBondContact O-CB 3.36Å; W131-C135 PolarHBondContact O-N 3.05Å; W131-C135 PolarHBondContact O-SG 3.08Å
132L93Very high86.2Confident17 Ų1760.2 Ų60.29%0.08932%0.316CS..Hα-helixtrans-60.9-48.3171.5176.774.3000110.9M92 L105 I128 T129 T130 K136M92-L132 HydrophobicContact CB-CD1 4.5Å; M92-L132 HydrophobicContact CB-CD2 4.12Å; L105-L132 HydrophobicContact CD1-CB 4.07Å; L105-L132 HydrophobicContact CD1-CD1 3.38Å; L105-L132 HydrophobicContact CD1-CG 4.34Å; I128-L132 VanDerWaalsContact O-CB 3.3Å; I128-L132 WeakPolarHBondContact O-CB 3.28Å; I128-L132 PolarHBondContact O-N 3.41Å; T129-L132 WeakPolarHBondContact O-CB 3.46Å; T129-L132 PolarHBondContact O-N 3.49Å; T130-L132 PolarHBondContact O-N 2.81Å; L132-K136 HydrophobicContact CD1-CD 4.48Å; L132-K136 HydrophobicContact CG-CD 4.27Å; L132-K136 WeakPolarHBondContact O-CB 3.01Å; L132-K136 VanDerWaalsContact O-CG 3.27Å; L132-K136 WeakPolarHBondContact O-CG 3.11Å; L132-K136 PolarHBondContact O-N 2.84Å
133A91.2Very high83.6Confident31 Ų3163.6 Ų63.626%0.25634%0.341SS..Hα-helixtrans-60.2-47.817800000111.1T129 T130 K136 T137T129-A133 PolarHBondContact O-N 2.91Å; T130-A133 PolarHBondContact O-N 3.39Å; A133-K136 WeakPolarHBondContact O-CB 3.28Å; A133-K136 PolarHBondContact O-N 3.03Å; A133-T137 WeakPolarHBondContact O-CG2 2.99Å; A133-T137 PolarHBondContact O-N 3.2Å
134I90Very high81.1Confident37 Ų3767 Ų6719%0.1935%0.353CS..Hα-helixtrans-64.3-48.5-179.8-68.8172000111.2L3 L28 T130 W131 K136 T137 C138L3-I134 HydrophobicContact CD2-CD1 3.59Å; L28-I134 HydrophobicContact CD2-CG2 3.73Å; T130-I134 HydrophobicContact CG2-CD1 4.04Å; T130-I134 WeakPolarHBondContact O-CG1 3.5Å; T130-I134 PolarHBondContact O-N 2.94Å; W131-I134 PolarHBondContact O-N 2.97Å; I134-K136 VanDerWaalsContact C-N 3.33Å; I134-K136 PolarHBondContact O-N 3.34Å; I134-T137 PolarHBondContact O-N 3.05Å; I134-T137 PolarHBondContact O-OG1 3.45Å; I134-C138 PolarHBondContact O-N 3.24Å
135C91.3Very high78.4Confident0 Ų071.5 Ų71.50%038%0.377CS..Hα-helixtrans-59.3-41.4176.4-70.50000112.3L105 W131 T137 C138 I139L105-C135 HydrophobicContact CD2-CB 4.25Å; W131-C135 VanDerWaalsContact O-CB 3.3Å; W131-C135 WeakPolarHBondContact O-CB 3.36Å; W131-C135 PolarHBondContact O-N 3.05Å; W131-C135 PolarHBondContact O-SG 3.08Å; C135-T137 PolarHBondContact O-N 3.47Å; C135-C138 PolarHBondContact O-N 3.29Å; C135-I139 HydrophobicContact CB-CD1 4.34Å; C135-I139 WeakPolarHBondContact O-CD1 3.42Å; C135-I139 VanDerWaalsContact O-CG1 3.25Å; C135-I139 WeakPolarHBondContact O-CG1 3.35Å; C135-I139 PolarHBondContact O-N 2.78Å; C135-I139 VanDerWaalsContact O-N 3.1Å
136K89.9Confident75.8Confident124 Ų12472.6 Ų72.654%0.53939%0.393SS..Hα-helixtrans-56.9-31.4173.7-79.3175.6178173.30112.8L132 A133 I134L132-K136 HydrophobicContact CD1-CD 4.48Å; L132-K136 HydrophobicContact CG-CD 4.27Å; L132-K136 WeakPolarHBondContact O-CB 3.01Å; L132-K136 VanDerWaalsContact O-CG 3.27Å; L132-K136 WeakPolarHBondContact O-CG 3.11Å; L132-K136 PolarHBondContact O-N 2.84Å; A133-K136 WeakPolarHBondContact O-CB 3.28Å; A133-K136 PolarHBondContact O-N 3.03Å; I134-K136 VanDerWaalsContact C-N 3.33Å; I134-K136 PolarHBondContact O-N 3.34Å
137T87Confident73.1Confident65 Ų6571.5 Ų71.540%0.39939%0.394SS..Hα-helixtrans-76.8-21177.170.30000114.5A133 I134 C135 K141A133-T137 WeakPolarHBondContact O-CG2 2.99Å; A133-T137 PolarHBondContact O-N 3.2Å; I134-T137 PolarHBondContact O-N 3.05Å; I134-T137 PolarHBondContact O-OG1 3.45Å; C135-T137 PolarHBondContact O-N 3.47Å; T137-K141 WeakPolarHBondContact O-CD 3.39Å; T137-K141 WeakPolarHBondContact O-CE 3.35Å; T137-K141 PolarHBondContact O-NZ 2.79Å
138C85.9Confident70.6Confident22 Ų2273.1 Ų73.115%0.14941%0.411CS..Hα-helixtrans-99.8-23.3-176.5-63.70000114T35 L84 I134 C135T35-C138 HydrophobicContact CG2-CB 4.36Å; L84-C138 HydrophobicContact CB-CB 3.91Å; L84-C138 HydrophobicContact CD1-CB 3.55Å; L84-C138 HydrophobicContact CG-CB 4.38Å; I134-C138 PolarHBondContact O-N 3.24Å; C135-C138 PolarHBondContact O-N 3.29Å
139I85.6Confident68.1Low23 Ų2379.3 Ų79.312%0.11845%0.445CS..THydrogen-bonded Turntrans-64143.4-175-83.8167000113.3K88 C90 L107 C135 K141K88-I139 VanDerWaalsContact O-CG2 3.26Å; K88-I139 WeakPolarHBondContact O-CG2 3.46Å; C90-I139 HydrophobicContact CB-CD1 3.6Å; C90-I139 WeakPolarHBondContact SG-CD1 3.49Å; L107-I139 HydrophobicContact CD2-CD1 3.84Å; C135-I139 HydrophobicContact CB-CD1 4.34Å; C135-I139 WeakPolarHBondContact O-CD1 3.42Å; C135-I139 VanDerWaalsContact O-CG1 3.25Å; C135-I139 WeakPolarHBondContact O-CG1 3.35Å; C135-I139 PolarHBondContact O-N 2.78Å; C135-I139 VanDerWaalsContact O-N 3.1Å; I139-K141 PolarHBondContact O-N 2.86Å
140G69.2Low65.7Low46 Ų4681.3 Ų81.347%0.47445%0.453SS..THydrogen-bonded Turntrans67-7.6173.200000117.1Y87 K142Y87-G140 PolarHBondContact O-N 2.91Å; G140-K142 PolarHBondContact O-N 2.87Å
141K60.3Low63.2Low122 Ų12286.2 Ų86.253%0.5346%0.464SS..  trans-81.285.1-173.5-72.4-179.9-179.1172.60112.8T137 I139 S143T137-K141 WeakPolarHBondContact O-CD 3.39Å; T137-K141 WeakPolarHBondContact O-CE 3.35Å; T137-K141 PolarHBondContact O-NZ 2.79Å; I139-K141 PolarHBondContact O-N 2.86Å; K141-S143 PolarHBondContact O-N 2.93Å; K141-S143 VanDerWaalsContact O-N 3.08Å
142K51Low60.6Low185 Ų18590.9 Ų90.980%0.80449%0.489SS*.  trans-67.6101.9156.6-72.3-170.6176-177.60108.9G140 K144G140-K142 PolarHBondContact O-N 2.87Å; K142-K144 PolarHBondContact O-N 3.44Å
143S38.8Very low58.2Low88 Ų8895.3 Ų95.362%0.61551%0.512SS*.  trans-59.2121.4-173.5-1710000112K141K141-S143 PolarHBondContact O-N 2.93Å; K141-S143 VanDerWaalsContact O-N 3.08Å
144K37.4Very low56Low198 Ų19896 Ų9686%0.86152%0.518SS*.SBendtrans-142.786.3171.5-163.5173.5-173.7178.80108.9K142K142-K144 PolarHBondContact O-N 3.44Å
145N33.8Very low53.6Low162 Ų16298.1 Ų98.187%0.86654%0.535SS*.  trans50.670.4-179.4-66.98.1000115.2
146C34.7Very low51Low106 Ų106104.2 Ų104.272%0.71657%0.568SS**  trans-98.396.3158-161.40000108.9S148C146-S148 PolarHBondContact O-N 3.32Å
147S34.5Very low48.5Very low93 Ų93103.2 Ų103.265%0.6557%0.568SS**  trans-68.4119.5-177.249.80000112.1N149S147-N149 VanDerWaalsContact C-N 3.26Å; S147-N149 PolarHBondContact O-N 3.43Å
148S39.5Very low45.9Very low83 Ų83102.8 Ų102.858%0.5858%0.576SS**SBendtrans51-50.7155.447.70000120.4C146 N150C146-S148 PolarHBondContact O-N 3.32Å; S148-N150 VanDerWaalsContact C-N 3.27Å; S148-N150 PolarHBondContact O-N 2.94Å
149N40.9Very low43.4Very low131 Ų131108.6 Ų108.670%0.70161%0.611SS**THydrogen-bonded Turntrans-85.116.4-153.7-56.26.2000114.9S147S147-N149 VanDerWaalsContact C-N 3.26Å; S147-N149 PolarHBondContact O-N 3.43Å
150N40.5Very low41Very low93 Ų93113.9 Ų113.950%0.49764%0.639SS.*THydrogen-bonded Turntrans-129.810.2-178.5-145.3-24.5000112.6S148 L153S148-N150 VanDerWaalsContact C-N 3.27Å; S148-N150 PolarHBondContact O-N 2.94Å; N150-L153 WeakPolarHBondContact OD1-CD1 3.29Å
151R40.2Very low39.5Very low177 Ų177115.9 Ų115.967%0.66865%0.646SS**SBendtrans-77.9-29171.8-75.7-179.4168.6174.1-5.8111.7
152D38.2Very low38.5Very low105 Ų105119.4 Ų119.456%0.56166%0.661SS**G310 helixtrans-78.1-22.7-174.9-51-65.4000114.5A154 C155 N156D152-A154 VanDerWaalsContact C-N 3.3Å; D152-A154 PolarHBondContact O-N 2.98Å; D152-C155 WeakPolarHBondContact O-CB 3.41Å; D152-C155 PolarHBondContact O-N 3.28Å; D152-C155 VanDerWaalsContact O-N 3.16Å; D152-N156 PolarHBondContact O-ND2 3.07Å
153L42.9Very low37.9Very low110 Ų110116 Ų11658%0.57666%0.661SS**G310 helixtrans-67.6-28.9175.1-90.8153.8000112.6N150 C155N150-L153 WeakPolarHBondContact OD1-CD1 3.29Å; L153-C155 VanDerWaalsContact C-N 3.27Å; L153-C155 PolarHBondContact O-N 3.15Å
154A44.1Very low37.7Very low47 Ų47115 Ų11539%0.38866%0.664SS.*G310 helixtrans-73.3-17.8173.400000113.1M1 D152M1-A154 HydrophobicContact CE-CB 4.19Å; D152-A154 VanDerWaalsContact C-N 3.3Å; D152-A154 PolarHBondContact O-N 2.98Å
155C40.3Very low37.7Very low81 Ų81109.5 Ų109.555%0.54765%0.651SS.*G310 helixtrans-90.5-13.6-177.3-62.80000114M1 D152 L153M1-C155 WeakPolarHBondContact CE-SG 3.17Å; D152-C155 WeakPolarHBondContact O-CB 3.41Å; D152-C155 PolarHBondContact O-N 3.28Å; D152-C155 VanDerWaalsContact O-N 3.16Å; L153-C155 VanDerWaalsContact C-N 3.27Å; L153-C155 PolarHBondContact O-N 3.15Å
156N37.2Very low37.9Very low127 Ų127110.1 Ų110.168%0.67965%0.646SS**SBendtrans-124.23.2-167.6-69.7-77.8000114.6D152 G158D152-N156 PolarHBondContact O-ND2 3.07Å; N156-G158 PolarHBondContact O-N 2.8Å
157L37.1Very low38.1Very low104 Ų104113.3 Ų113.355%0.54565%0.652SS.*  trans-82.638-174.3-14075.3000114.5
158G31.9Very low38.4Very low56 Ų56114.3 Ų114.358%0.57766%0.66SS**  trans-77.1141161.400000110N156N156-G158 PolarHBondContact O-N 2.8Å
159T34.4Very low38.3Very low144 Ų144116.8 Ų116.888%0.88367%0.665SS**  trans59.777.5-176.665.20000115S161T159-S161 PolarHBondContact O-N 2.99Å
160L34.9Very low37.9Very low133 Ų133119 Ų11970%0.69667%0.669SS**  trans-64.8122149.4-73.9178.1000108
161S36.1Very low37.5Very low89 Ų89120.8 Ų120.862%0.62269%0.685SS**  trans-67.1153.5-175.1510000112T159 S163 G164T159-S161 PolarHBondContact O-N 2.99Å; S161-S163 PolarHBondContact O-N 2.92Å; S161-G164 PolarHBondContact O-N 3.5Å
162K39.8Very low37.1Very low195 Ų195117.6 Ų117.685%0.84868%0.681SS**G310 helixtrans-48.6-26.5-169.7-72.9-174.5173.4-176.60115.3G164 S165K162-G164 PolarHBondContact O-N 3.46Å; K162-G164 VanDerWaalsContact O-N 3.17Å; K162-S165 VanDerWaalsContact O-CB 3.3Å; K162-S165 WeakPolarHBondContact O-CB 3.46Å; K162-S165 PolarHBondContact O-N 2.74Å
163S38.7Very low37Very low115 Ų115118 Ų11880%0.80469%0.692SS**G310 helixtrans-58.4-21.9176.3-46.60000114.7S161S161-S163 PolarHBondContact O-N 2.92Å
164G35.6Very low36.6Very low65 Ų65121.5 Ų121.567%0.6771%0.706SS**G310 helixtrans-81.2-12.2174.500000114.9S161 K162S161-G164 PolarHBondContact O-N 3.5Å; K162-G164 PolarHBondContact O-N 3.46Å; K162-G164 VanDerWaalsContact O-N 3.17Å
165S36Very low36Very low84 Ų84123.6 Ų123.659%0.58772%0.723SS**SBendtrans-91-3.7-160.9-163.80000115.7K162K162-S165 VanDerWaalsContact O-CB 3.3Å; K162-S165 WeakPolarHBondContact O-CB 3.46Å; K162-S165 PolarHBondContact O-N 2.74Å
166F38.4Very low35.6Very low175 Ų175124.7 Ų124.777%0.76873%0.73SS**SBendtrans-117.511.9-163-130.1-91.8000115.8
167M39.4Very low35.6Very low172 Ų172128.4 Ų128.485%0.84774%0.744SS**SBendtrans-114.114.3-177.7-67.3-78.991.800114.1
168S40.5Very low35.6Very low115 Ų115128.3 Ų128.380%0.80475%0.752SS**SBendtrans-135.95.3176.6-580000114.6
169L38.1Very low35.9Very low134 Ų134132.6 Ų132.670%0.70276%0.757SS**  trans-122.579175.4-67.2177.4000110.7
170K31.9Very low36.2Very low179 Ų179134.1 Ų134.178%0.77875%0.752SS**  trans-127.8117154-109.7-172.7175.4-173.70107.4N172K170-N172 PolarHBondContact O-N 2.91Å
171P32.3Very low36.8Very low129 Ų129134.1 Ų134.184%0.83875%0.752SS**  trans-74.676.7172.931.6-33.4000108.6S173P171-S173 PolarHBondContact O-N 3.08Å
172N32.4Very low37.3Very low110 Ų110138 Ų13859%0.58877%0.766SS**  trans-80.273.1-175.8-157.183.6000110.4K170 Q174K170-N172 PolarHBondContact O-N 2.91Å; N172-Q174 PolarHBondContact ND2-O 2.92Å; N172-Q174 PolarHBondContact O-N 2.81Å
173S35.8Very low37.3Very low113 Ų113131.4 Ų131.479%0.7975%0.754SS**  trans-58.9127.6166.442.90000109.5P171P171-S173 PolarHBondContact O-N 3.08Å
174Q32.9Very low37.9Very low185 Ų185131.6 Ų131.686%0.86475%0.745SS**SBendtrans65.8138.2-167-73.8-179.1-27.400116.6N172N172-Q174 PolarHBondContact ND2-O 2.92Å; N172-Q174 PolarHBondContact O-N 2.81Å
175A31.8Very low38.4Very low91 Ų91132.9 Ų132.975%0.75273%0.734SS**SBendtrans78.6141.7173.500000118.7
176C33Very low39Very low103 Ų103135.8 Ų135.870%0.69674%0.743SS**  trans76.358.7173.5-143.80000119.6S178C176-S178 VanDerWaalsContact C-N 3.34Å
177E36Very low39.5Very low205 Ų205133.4 Ų133.496%0.95874%0.739SS**  trans-92.556.5151.4-68.4-164.5148.800111
178S38.5Very low40.2Very low102 Ų102129 Ų12971%0.71372%0.716SS**  trans-16058.7-179.1-169.80000115.2C176C176-S178 VanDerWaalsContact C-N 3.34Å
179E36.8Very low41.1Very low146 Ų146130.4 Ų130.468%0.68272%0.72SS**SBendtrans-154.1129.3159.5-118.7178.4160.800112.8
180F42.3Very low42.3Very low177 Ų177129.7 Ų129.778%0.77671%0.708SS**SBendtrans67.669.8165.1-43.6-63.7000121.4
181D46.3Very low44.1Very low132 Ų132126.9 Ų126.971%0.70670%0.698SS**  trans-14135.3148.9-15915.8000113.1
182D46.6Very low46.3Very low171 Ų171123.9 Ų123.991%0.91468%0.684SS**  trans-106.739.8-166.8-159.526.8000113
183G40.7Very low48.7Very low57 Ų57119.1 Ų119.159%0.58866%0.658SS**SBendtrans-146.8-7.1-168.900000118.9
184L49.8Very low50.9Low118 Ų118116.4 Ų116.462%0.61864%0.639SS**SBendtrans-14825.9-172.7-65.5172.4000114.9K88K88-L184 VanDerWaalsContact NZ-CB 3.29Å
185M47.2Very low53.4Low92 Ų92110.2 Ų110.245%0.45362%0.617SS.*  trans-88.8-17.5-176.8-75.2-97.863.300114.7N187 E188M185-N187 PolarHBondContact O-N 2.69Å; M185-E188 PolarHBondContact O-N 3.1Å
186D48.8Very low55.9Low145 Ų145111.7 Ų111.778%0.77561%0.608SS**THydrogen-bonded Turntrans-64.63.4-159.6-58.2-13.8000118.4
187N49.5Very low58.6Low126 Ų126110 Ų11067%0.67459%0.592SS**THydrogen-bonded Turntrans-128.60.8-172.6-73.1-79.5000115.4S111 M185 V189S111-N187 WeakPolarHBondContact OG-CB 3.26Å; M185-N187 PolarHBondContact O-N 2.69Å; N187-V189 PolarHBondContact O-N 3.06Å
188E53.2Low61.2Low79 Ų79104 Ų10437%0.36956%0.563SS.*SBendtrans-79.8113.4164.6-71.3-165.2-167.200109.6M185 Y190M185-E188 PolarHBondContact O-N 3.1Å; E188-Y190 PolarHBondContact O-N 3.25Å
189V58.8Low63.8Low145 Ų14599.2 Ų99.288%0.87953%0.529SS*.  trans-64.4108.7174178.40000108N187 E191N187-V189 PolarHBondContact O-N 3.06Å; V189-E191 PolarHBondContact O-N 3.19Å
190Y64.2Low66.5Low118 Ų11894.5 Ų94.546%0.46351%0.511SS..  trans-52.2114.8178.9-64.5-64.7000111E188 A192 Q282 P283 A286E188-Y190 PolarHBondContact O-N 3.25Å; Y190-A192 PolarHBondContact O-N 3.37Å; Y190-Q282 HydrophobicContact CD1-CB 4.23Å; Y190-Q282 HydrophobicContact CD1-CG 3.76Å; Y190-Q282 HydrophobicContact CE1-CB 4.34Å; Y190-Q282 HydrophobicContact CE1-CG 4.24Å; Y190-P283 HydrophobicContact CE1-CG 4.32Å; Y190-A286 HydrophobicContact CD1-CB 4.35Å; Y190-A286 HydrophobicContact CD2-CB 4.27Å; Y190-A286 HydrophobicContact CG-CB 4.15Å
191E69.8Low69Low120 Ų12086.4 Ų86.456%0.56148%0.477SS*.PPolyproline II helixtrans-59.1121.7168.9-173.3163.4-148.500108.3V189 Q282V189-E191 PolarHBondContact O-N 3.19Å; E191-Q282 PolarHBondContact O-NE2 3.04Å
192A78.9Confident71.3Confident67 Ų6782.4 Ų82.455%0.55446%0.455SS*.PPolyproline II helixtrans-77.1133.6-17700000109.7Y190 S194Y190-A192 PolarHBondContact O-N 3.37Å; A192-S194 PolarHBondContact O-N 2.84Å
193Y82.1Confident73.7Confident9 Ų974.5 Ų74.54%0.03541%0.413CS..PPolyproline II helixtrans-56.2130179.1-59.2-76.7000110.9D197 I199 L223 P278 Q282 L287 Q290Y193-D197 VanDerWaalsContact CA-OD2 3.25Å; Y193-D197 WeakPolarHBondContact CA-OD2 3.39Å; Y193-D197 HydrophobicContact CD1-CB 4.28Å; Y193-I199 HydrophobicContact CD1-CD1 3.79Å; Y193-I199 HydrophobicContact CD1-CG1 3.87Å; Y193-I199 HydrophobicContact CD2-CD1 3.91Å; Y193-I199 HydrophobicContact CE1-CD1 3.88Å; Y193-I199 HydrophobicContact CE1-CG1 3.93Å; Y193-I199 HydrophobicContact CE2-CD1 4.05Å; Y193-I199 HydrophobicContact CG-CD1 3.83Å; Y193-I199 HydrophobicContact CG-CG1 4.37Å; Y193-L223 HydrophobicContact CD2-CD1 3.87Å; Y193-L223 HydrophobicContact CG-CD1 4.27Å; Y193-P278 WeakPolarHBondContact OH-CB 3.46Å; Y193-Q282 PolarHBondContact OH-OE1 3.46Å; Y193-L287 HydrophobicContact CD2-CD1 4.45Å; Y193-L287 HydrophobicContact CE2-CB 4.28Å; Y193-L287 HydrophobicContact CE2-CD1 4.48Å; Y193-Q290 VanDerWaalsContact CD2-OE1 3.25Å; Y193-Q290 PolarHBondContact O-NE2 2.79Å
194S82Confident76.1Confident56 Ų5674 Ų7439%0.39240%0.395SS..PPolyproline II helixtrans-74.4166.9173.1-157.20000111.1A192 E196 D197A192-S194 PolarHBondContact O-N 2.84Å; S194-E196 VanDerWaalsContact CB-OE2 3.31Å; S194-E196 WeakPolarHBondContact CB-OE2 3.31Å; S194-E196 PolarHBondContact O-N 3.1Å; S194-E196 VanDerWaalsContact O-N 3.09Å; S194-E196 PolarHBondContact OG-OE2 2.83Å; S194-D197 PolarHBondContact N-OD2 3.48Å; S194-D197 PolarHBondContact O-N 2.83Å; S194-D197 VanDerWaalsContact O-N 3.14Å
195S85Confident78.1Confident56 Ų5675.4 Ų75.439%0.39240%0.399SS..THydrogen-bonded Turntrans-64.6-11.9176.435.40000114.2R222 L223S195-R222 VanDerWaalsContact O-CD 3.27Å; S195-R222 WeakPolarHBondContact O-CD 3.25Å; S195-R222 WeakPolarHBondContact O-CG 3.26Å; S195-L223 WeakPolarHBondContact CA-O 3.34Å
196E84.6Confident80.1Confident122 Ų12272.7 Ų72.757%0.5739%0.391SS*.THydrogen-bonded Turntrans-95.7-18.3-179.3-60.363.3-123.700111.7S194 K198S194-E196 VanDerWaalsContact CB-OE2 3.31Å; S194-E196 WeakPolarHBondContact CB-OE2 3.31Å; S194-E196 PolarHBondContact O-N 3.1Å; S194-E196 VanDerWaalsContact O-N 3.09Å; S194-E196 PolarHBondContact OG-OE2 2.83Å; E196-K198 PolarHBondContact O-N 2.85Å
197D88.8Confident82.2Confident66 Ų6668.6 Ų68.635%0.35338%0.382SS..  trans-71.1125.9-173.1-72.7-21.8000111.8Y193 S194Y193-D197 VanDerWaalsContact CA-OD2 3.25Å; Y193-D197 WeakPolarHBondContact CA-OD2 3.39Å; Y193-D197 HydrophobicContact CD1-CB 4.28Å; S194-D197 PolarHBondContact N-OD2 3.48Å; S194-D197 PolarHBondContact O-N 2.83Å; S194-D197 VanDerWaalsContact O-N 3.14Å
198K91.9Very high84.3Confident81 Ų8164.9 Ų64.935%0.35236%0.363SS..  trans-98.8109.7173.4-63.2179.3-175.4171.70108.9E196 P200 Y220 L231 H236E196-K198 PolarHBondContact O-N 2.85Å; K198-P200 WeakPolarHBondContact O-CD 3.47Å; K198-Y220 HydrophobicContact CB-CD1 3.68Å; K198-Y220 HydrophobicContact CB-CE1 4.38Å; K198-Y220 HydrophobicContact CB-CG 4.07Å; K198-Y220 HydrophobicContact CD-CG 4.45Å; K198-L231 HydrophobicContact CG-CD2 4.45Å; K198-H236 PolarHBondContact NZ-CD2 3.27Å
199I92.9Very high86.2Confident1 Ų165.3 Ų65.31%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-87.4116.3176.1-55.8172.8000107.9Y193 A201 Y220 L221 C276 L287Y193-I199 HydrophobicContact CD1-CD1 3.79Å; Y193-I199 HydrophobicContact CD1-CG1 3.87Å; Y193-I199 HydrophobicContact CD2-CD1 3.91Å; Y193-I199 HydrophobicContact CE1-CD1 3.88Å; Y193-I199 HydrophobicContact CE1-CG1 3.93Å; Y193-I199 HydrophobicContact CE2-CD1 4.05Å; Y193-I199 HydrophobicContact CG-CD1 3.83Å; Y193-I199 HydrophobicContact CG-CG1 4.37Å; I199-A201 PolarHBondContact O-N 3.19Å; I199-Y220 CarbonylContact O-C 3.57Å; I199-Y220 WeakPolarHBondContact O-CA 3.45Å; I199-L221 HydrophobicContact CB-CB 4.37Å; I199-L221 PolarHBondContact N-O 3.4Å; I199-L221 PolarHBondContact O-N 3.31Å; I199-C276 HydrophobicContact CG2-CB 4.45Å; I199-L287 HydrophobicContact CD1-CD1 3.61Å; I199-L287 HydrophobicContact CD1-CD2 3.98Å; I199-L287 HydrophobicContact CD1-CG 4.37Å; I199-L287 HydrophobicContact CG2-CD2 4.44Å
200P93.6Very high87.8Confident47 Ų4764.6 Ų64.631%0.30535%0.349SS..EExtended strand (participates in β ladder)trans-60.2134.6174.2-18.229.5000110.8K198 Y220 S277K198-P200 WeakPolarHBondContact O-CD 3.47Å; P200-Y220 HydrophobicContact CB-CD1 4.45Å; P200-Y220 HydrophobicContact CB-CE1 4.29Å; P200-Y220 HydrophobicContact CG-CD1 4.39Å; P200-Y220 HydrophobicContact CG-CE1 4.09Å; P200-S277 WeakPolarHBondContact CD-O 3.47Å; P200-S277 PolarHBondContact O-N 2.99Å
201A94.7Very high89.2Confident6 Ų662.8 Ų62.85%0.0534%0.344CS..EExtended strand (participates in β ladder)trans-149.3142.2176.500000112.1I199 C219 L221 F274 R275I199-A201 PolarHBondContact O-N 3.19Å; A201-C219 PolarHBondContact N-O 3.46Å; A201-C219 CarbonylContact O-C 3.52Å; A201-C219 PolarHBondContact O-N 3.11Å; A201-C219 PolarHBondContact O-SG 3.07Å; A201-L221 HydrophobicContact CB-CD1 4.11Å; A201-L221 HydrophobicContact CB-CG 3.97Å; A201-F274 HydrophobicContact CB-CB 4.23Å; A201-R275 WeakPolarHBondContact CA-O 3.3Å
202L94.7Very high90.2Very high48 Ų4857 Ų5725%0.25132%0.317SS..EExtended strand (participates in β ladder)trans-101.1119.7171.2-171.8154.3000108.5E204 P217 R275L202-E204 PolarHBondContact O-N 3.28Å; L202-P217 HydrophobicContact CD2-CB 4.32Å; L202-P217 HydrophobicContact CG-CB 4.21Å; L202-R275 PolarHBondContact N-O 2.92Å; L202-R275 PolarHBondContact O-N 3.06Å
203L95.7Very high90.7Very high6 Ų661 Ų613%0.03132%0.324CS..EExtended strand (participates in β ladder)trans-68.5114.2172.1174.562.6000108.8W209 L212 L214 P217 F274L203-W209 HydrophobicContact CD1-CB 3.96Å; L203-W209 HydrophobicContact CD2-CB 4.1Å; L203-W209 HydrophobicContact CG-CB 4.04Å; L203-L212 HydrophobicContact CD1-CD1 3.71Å; L203-L212 HydrophobicContact CD2-CB 4.17Å; L203-L212 HydrophobicContact CD2-CD1 3.67Å; L203-L212 HydrophobicContact CG-CD1 4.34Å; L203-L214 HydrophobicContact CB-CD1 4.44Å; L203-L214 HydrophobicContact CD2-CD1 3.84Å; L203-P217 WeakPolarHBondContact CB-O 3.39Å; L203-P217 PolarHBondContact N-O 3.21Å; L203-P217 WeakPolarHBondContact O-CB 3.43Å; L203-F274 HydrophobicContact CB-CD1 4.44Å; L203-F274 HydrophobicContact CD1-CD1 4.18Å; L203-F274 HydrophobicContact CD1-CE1 3.92Å; L203-F274 HydrophobicContact CD1-CZ 4.44Å
204E92.9Very high91.1Very high45 Ų4562 Ų6221%0.2133%0.33CS..  trans-75.2144.8176.6-52.5-164.5135.900110.2L202 A206 W209 V256 F273 R275L202-E204 PolarHBondContact O-N 3.28Å; E204-A206 PolarHBondContact O-N 3.09Å; E204-W209 WeakPolarHBondContact O-CB 3.49Å; E204-V256 WeakPolarHBondContact OE1-CG2 3.26Å; E204-V256 WeakPolarHBondContact OE2-CG1 3.31Å; E204-V256 WeakPolarHBondContact OE2-CG2 3.42Å; E204-F273 HydrophobicContact CB-CB 4.05Å; E204-F273 HydrophobicContact CG-CB 4.47Å; E204-F273 PolarHBondContact N-O 3.37Å; E204-R275 HydrophobicContact CG-CB 4.18Å; E204-R275 IonicContact OE1-CZ 2.67Å; E204-R275 IonicContact OE1-NH1 3.17Å; E204-R275 PolarHBondContact OE1-NH1 2.99Å
205E91.1Very high91Very high149 Ų14964.9 Ų64.970%0.69635%0.348SS*.SBendtrans-73.641.8-179.8-62.4-176.8-173.200113W209E205-W209 VanDerWaalsContact C-NE1 3.32Å; E205-W209 VanDerWaalsContact CA-CD1 3.47Å; E205-W209 HydrophobicContact CB-CD2 4.35Å; E205-W209 HydrophobicContact CB-CZ2 4.08Å; E205-W209 HydrophobicContact CG-CD2 4.37Å; E205-W209 HydrophobicContact CG-CH2 4.25Å; E205-W209 HydrophobicContact CG-CZ2 3.97Å; E205-W209 PolarHBondContact O-NE1 2.96Å
206A89.8Confident91Very high35 Ų3565.7 Ų65.729%0.28935%0.346SS..  trans-117.9148.2-17600000112E204 D208 F273E204-A206 PolarHBondContact O-N 3.09Å; A206-D208 PolarHBondContact O-N 3.36Å; A206-F273 HydrophobicContact CB-CB 4.37Å; A206-F273 HydrophobicContact CB-CD2 3.82Å; A206-F273 HydrophobicContact CB-CE2 4.25Å; A206-F273 HydrophobicContact CB-CG 4.04Å; A206-F273 WeakPolarHBondContact O-CD2 3.38Å
207G91.4Very high91.3Very high58 Ų5862.5 Ų62.560%0.59834%0.336SS*.THydrogen-bonded Turntrans67.9-123.8178.900000112.7
208D94.7Very high91.6Very high49 Ų4962.5 Ų62.526%0.26234%0.336SS..THydrogen-bonded Turntrans-103.417.2-172.6-65.4-100.9000113.1A206 M210 K211 G270 K271 F272A206-D208 PolarHBondContact O-N 3.36Å; D208-M210 PolarHBondContact O-N 3.03Å; D208-K211 HydrophobicContact CB-CD 4.07Å; D208-K211 HydrophobicContact CB-CG 4.49Å; D208-K211 WeakPolarHBondContact O-CB 3.39Å; D208-K211 PolarHBondContact O-N 3.37Å; D208-K211 WeakPolarHBondContact OD1-CE 3.46Å; D208-K211 IonicContact OD1-NZ 2.97Å; D208-K211 PolarHBondContact OD1-NZ 2.96Å; D208-G270 VanDerWaalsContact OD2-CA 3.26Å; D208-G270 WeakPolarHBondContact OD2-CA 3.4Å; D208-K271 PolarHBondContact N-O 3.3Å; D208-K271 PolarHBondContact OD2-N 3.06Å; D208-F272 HydrophobicContact CB-CE1 4.09Å; D208-F272 HydrophobicContact CB-CZ 4.3Å; D208-F272 WeakPolarHBondContact O-CE1 3.26Å
209W93Very high91.7Very high87 Ų8758.7 Ų58.733%0.3332%0.32SS..G310 helixtrans-43.3-39.9-171.369.5-89.4000115.2L203 E204 E205 K211 L212L203-W209 HydrophobicContact CD1-CB 3.96Å; L203-W209 HydrophobicContact CD2-CB 4.1Å; L203-W209 HydrophobicContact CG-CB 4.04Å; E204-W209 WeakPolarHBondContact O-CB 3.49Å; E205-W209 VanDerWaalsContact C-NE1 3.32Å; E205-W209 VanDerWaalsContact CA-CD1 3.47Å; E205-W209 HydrophobicContact CB-CD2 4.35Å; E205-W209 HydrophobicContact CB-CZ2 4.08Å; E205-W209 HydrophobicContact CG-CD2 4.37Å; E205-W209 HydrophobicContact CG-CH2 4.25Å; E205-W209 HydrophobicContact CG-CZ2 3.97Å; E205-W209 PolarHBondContact O-NE1 2.96Å; W209-K211 PolarHBondContact O-N 2.93Å; W209-L212 WeakPolarHBondContact O-CB 3.46Å; W209-L212 PolarHBondContact O-N 3.2Å
210M92.2Very high91.8Very high130 Ų13060.7 Ų60.764%0.6433%0.328SS*.G310 helixtrans-55.1-27.5178.6-60.3-179.975.300113.7D208 L212 H213D208-M210 PolarHBondContact O-N 3.03Å; M210-L212 PolarHBondContact O-N 3.25Å; M210-H213 PolarHBondContact O-CE1 3.38Å; M210-H213 PolarHBondContact O-N 3.44Å; M210-H213 PolarHBondContact O-ND1 3.1Å
211K93.6Very high91.9Very high80 Ų8058.5 Ų58.535%0.34831%0.313SS..G310 helixtrans-69.8-7.3177.8-64.2-177.6-178156.20114.4D208 W209 H213 H240 D269 F272D208-K211 HydrophobicContact CB-CD 4.07Å; D208-K211 HydrophobicContact CB-CG 4.49Å; D208-K211 WeakPolarHBondContact O-CB 3.39Å; D208-K211 PolarHBondContact O-N 3.37Å; D208-K211 WeakPolarHBondContact OD1-CE 3.46Å; D208-K211 IonicContact OD1-NZ 2.97Å; D208-K211 PolarHBondContact OD1-NZ 2.96Å; W209-K211 PolarHBondContact O-N 2.93Å; K211-H213 PolarHBondContact O-CD2 3Å; K211-H240 PolarHBondContact O-NE2 2.98Å; K211-D269 PolarHBondContact NZ-O 3.25Å; K211-F272 HydrophobicContact CB-CE1 4.22Å; K211-F272 HydrophobicContact CB-CZ 4.27Å
212L91.7Very high91.9Very high0 Ų061.3 Ų61.30%032%0.322CS..G310 helixtrans-87.8-12.5173.4-73.8167.2000113.3L203 W209 M210 L214 V230 H240 F242 T267 F272 F274L203-L212 HydrophobicContact CD1-CD1 3.71Å; L203-L212 HydrophobicContact CD2-CB 4.17Å; L203-L212 HydrophobicContact CD2-CD1 3.67Å; L203-L212 HydrophobicContact CG-CD1 4.34Å; W209-L212 WeakPolarHBondContact O-CB 3.46Å; W209-L212 PolarHBondContact O-N 3.2Å; M210-L212 PolarHBondContact O-N 3.25Å; L212-L214 HydrophobicContact CB-CG 4.12Å; L212-L214 PolarHBondContact O-N 3.41Å; L212-V230 HydrophobicContact CD2-CG2 4.29Å; L212-H240 HydrophobicContact CD2-CB 3.67Å; L212-H240 PolarHBondContact O-CD2 3.14Å; L212-H240 VanDerWaalsContact O-CD2 3.22Å; L212-H240 PolarHBondContact O-NE2 3.35Å; L212-F242 HydrophobicContact CD2-CZ 4.08Å; L212-T267 HydrophobicContact CD2-CG2 3.65Å; L212-T267 HydrophobicContact CG-CG2 4.34Å; L212-F272 HydrophobicContact CD1-CB 4.39Å; L212-F272 HydrophobicContact CD1-CD1 3.43Å; L212-F272 VanDerWaalsContact CD1-CD1 3.43Å; L212-F272 HydrophobicContact CD1-CE1 3.94Å; L212-F272 HydrophobicContact CD1-CG 4.03Å; L212-F272 HydrophobicContact CD2-CE1 4.45Å; L212-F272 HydrophobicContact CG-CD1 3.75Å; L212-F272 HydrophobicContact CG-CE1 3.7Å; L212-F272 HydrophobicContact CG-CZ 4.44Å; L212-F274 HydrophobicContact CD1-CE1 3.99Å; L212-F274 HydrophobicContact CD1-CZ 3.81Å
213H89.2Confident91.9Very high149 Ų14959.3 Ų59.369%0.6931%0.312SS*.  trans46.133.4174.6-59.5-69.6000115.4M210 K211M210-H213 PolarHBondContact O-CE1 3.38Å; M210-H213 PolarHBondContact O-N 3.44Å; M210-H213 PolarHBondContact O-ND1 3.1Å; K211-H213 PolarHBondContact O-CD2 3Å
214L88.7Confident91.8Very high32 Ų3260.2 Ų60.217%0.16832%0.318CS..  trans-71.1146.3176.1-57.1179.6000110.4L203 L212 Q216 C219 V230 V239L203-L214 HydrophobicContact CB-CD1 4.44Å; L203-L214 HydrophobicContact CD2-CD1 3.84Å; L212-L214 HydrophobicContact CB-CG 4.12Å; L212-L214 PolarHBondContact O-N 3.41Å; L214-Q216 WeakPolarHBondContact CB-O 3.42Å; L214-Q216 PolarHBondContact O-N 3.42Å; L214-C219 HydrophobicContact CD1-CB 3.84Å; L214-V230 HydrophobicContact CD1-CG1 4.33Å; L214-V230 HydrophobicContact CD2-CG1 4.33Å; L214-V239 HydrophobicContact CD2-CB 4.25Å; L214-V239 HydrophobicContact CD2-CG1 4.45Å; L214-V239 HydrophobicContact CD2-CG2 4.09Å
215C81.7Confident91.8Very high115 Ų11560.3 Ų60.378%0.77733%0.326SS*.SBendtrans-70.4-22.1177.2-63.30000113.2
216Q85.1Confident91.8Very high74 Ų7457.5 Ų57.535%0.34632%0.316SS..SBendtrans-146.2161.6177.2-79-176.91.700109.4L214 D218 Y234L214-Q216 WeakPolarHBondContact CB-O 3.42Å; L214-Q216 PolarHBondContact O-N 3.42Å; Q216-D218 VanDerWaalsContact C-N 3.29Å; Q216-D218 PolarHBondContact O-N 3.3Å; Q216-Y234 HydrophobicContact CG-CE2 4.43Å; Q216-Y234 PolarHBondContact NE2-OH 3.41Å; Q216-Y234 PolarHBondContact OE1-OH 2.75Å
217P90.6Very high92.1Very high55 Ų5559.7 Ų59.736%0.35732%0.317SS..SBendtrans-69.3-27176.129.1-36000112.6L202 L203L202-P217 HydrophobicContact CD2-CB 4.32Å; L202-P217 HydrophobicContact CG-CB 4.21Å; L203-P217 WeakPolarHBondContact CB-O 3.39Å; L203-P217 PolarHBondContact N-O 3.21Å; L203-P217 WeakPolarHBondContact O-CB 3.43Å
218D93.8Very high92.3Very high65 Ų6556.9 Ų56.935%0.34829%0.288SS..EExtended strand (participates in β ladder)trans-68.7135.2175.5-67.9-50.2000111.5Q216 Y233Q216-D218 VanDerWaalsContact C-N 3.29Å; Q216-D218 PolarHBondContact O-N 3.3Å; D218-Y233 HydrophobicContact CB-CD2 4Å; D218-Y233 HydrophobicContact CB-CE2 4.5Å; D218-Y233 HydrophobicContact CB-CG 4.33Å; D218-Y233 WeakPolarHBondContact O-CB 3.35Å
219C94.7Very high92.4Very high2 Ų254.8 Ų54.81%0.01428%0.276CS..EExtended strand (participates in β ladder)trans-153.2177.5-179.962.70000111.4A201 L214 V230 L231A201-C219 PolarHBondContact N-O 3.46Å; A201-C219 CarbonylContact O-C 3.52Å; A201-C219 PolarHBondContact O-N 3.11Å; A201-C219 PolarHBondContact O-SG 3.07Å; L214-C219 HydrophobicContact CD1-CB 3.84Å; C219-V230 HydrophobicContact CB-CG1 4.3Å; C219-L231 WeakPolarHBondContact CB-O 3.47Å
220Y95.4Very high92.5Very high43 Ų4350.6 Ų50.617%0.16926%0.261CS..EExtended strand (participates in β ladder)trans-118.7134.1168.5-64.8-86.5000110.5K198 I199 P200 L231 Y233 H236K198-Y220 HydrophobicContact CB-CD1 3.68Å; K198-Y220 HydrophobicContact CB-CE1 4.38Å; K198-Y220 HydrophobicContact CB-CG 4.07Å; K198-Y220 HydrophobicContact CD-CG 4.45Å; I199-Y220 CarbonylContact O-C 3.57Å; I199-Y220 WeakPolarHBondContact O-CA 3.45Å; P200-Y220 HydrophobicContact CB-CD1 4.45Å; P200-Y220 HydrophobicContact CB-CE1 4.29Å; P200-Y220 HydrophobicContact CG-CD1 4.39Å; P200-Y220 HydrophobicContact CG-CE1 4.09Å; Y220-L231 PolarHBondContact N-O 3.28Å; Y220-L231 WeakPolarHBondContact O-CB 3.47Å; Y220-L231 PolarHBondContact O-N 2.93Å; Y220-Y233 HydrophobicContact CD2-CD2 4.33Å; Y220-Y233 AromaticContact CE2-CD2 3.57Å; Y220-Y233 HydrophobicContact CE2-CD2 3.57Å; Y220-Y233 HydrophobicContact CE2-CE2 4.01Å; Y220-Y233 HydrophobicContact CE2-CG 4.25Å; Y220-H236 AromaticContact CD2-ND1 3.77Å; Y220-H236 AromaticContact CE2-CE1 3.53Å; Y220-H236 AromaticContact CE2-ND1 3.59Å
221L95.5Very high92.7Very high0 Ų044.5 Ų44.50%023%0.231CC..EExtended strand (participates in β ladder)trans-92.5140.2167.9-62.5-177.6000110I199 A201 L228 E229 V230 L257 F274I199-L221 HydrophobicContact CB-CB 4.37Å; I199-L221 PolarHBondContact N-O 3.4Å; I199-L221 PolarHBondContact O-N 3.31Å; A201-L221 HydrophobicContact CB-CD1 4.11Å; A201-L221 HydrophobicContact CB-CG 3.97Å; L221-L228 HydrophobicContact CB-CD1 4.27Å; L221-E229 WeakPolarHBondContact CA-O 3.46Å; L221-V230 HydrophobicContact CD2-CG2 3.93Å; L221-L257 HydrophobicContact CD1-CD2 3.74Å; L221-F274 HydrophobicContact CD1-CB 3.99Å; L221-F274 HydrophobicContact CD1-CD1 4.46Å; L221-F274 HydrophobicContact CD1-CD2 4.36Å; L221-F274 HydrophobicContact CD1-CG 4.05Å; L221-F274 HydrophobicContact CD2-CD1 4.04Å; L221-F274 HydrophobicContact CD2-CE1 4Å; L221-F274 HydrophobicContact CD2-CG 4.31Å; L221-F274 HydrophobicContact CD2-CZ 4.25Å
222R94.9Very high92.6Very high66 Ų6641.7 Ų41.725%0.24922%0.22CC..EExtended strand (participates in β ladder)trans-131.7131.5176.3-172.9165.972.7160.8-1.4111.3S195 E229 L231S195-R222 VanDerWaalsContact O-CD 3.27Å; S195-R222 WeakPolarHBondContact O-CD 3.25Å; S195-R222 WeakPolarHBondContact O-CG 3.26Å; R222-E229 HydrophobicContact CB-CB 4.38Å; R222-E229 IonicContact CZ-OE2 2.74Å; R222-E229 VanDerWaalsContact CZ-OE2 3.25Å; R222-E229 PolarHBondContact N-O 2.87Å; R222-E229 IonicContact NE-OE2 3.73Å; R222-E229 PolarHBondContact NE-OE2 3.41Å; R222-E229 IonicContact NH2-OE2 3.87Å; R222-E229 PolarHBondContact NH2-OE2 3.23Å; R222-E229 PolarHBondContact O-N 3.28Å; R222-L231 HydrophobicContact CB-CD1 3.79Å; R222-L231 HydrophobicContact CB-CD2 4.46Å
223L94.7Very high92.6Very high5 Ų546.1 Ų46.13%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-95.1103179-70.1178.2000110.6Y193 S195 L228 L287 Q290 I291 L294Y193-L223 HydrophobicContact CD2-CD1 3.87Å; Y193-L223 HydrophobicContact CG-CD1 4.27Å; S195-L223 WeakPolarHBondContact CA-O 3.34Å; L223-L228 HydrophobicContact CD2-CD1 3.93Å; L223-L287 HydrophobicContact CD1-CD1 3.57Å; L223-L287 HydrophobicContact CD2-CD1 4.05Å; L223-L287 HydrophobicContact CG-CD1 3.98Å; L223-Q290 HydrophobicContact CD1-CB 4.19Å; L223-Q290 HydrophobicContact CD1-CG 3.91Å; L223-I291 HydrophobicContact CD2-CD1 4.22Å; L223-I291 HydrophobicContact CD2-CG1 3.47Å; L223-I291 VanDerWaalsContact CD2-CG1 3.47Å; L223-L294 HydrophobicContact CB-CD1 4.12Å; L223-L294 HydrophobicContact CD1-CD1 4.47Å; L223-L294 HydrophobicContact CD2-CD1 4.42Å
224T93.8Very high92.6Very high26 Ų2646.1 Ų46.116%0.1623%0.232CC..  trans-91.9174170.874.80000110.9D226 R227 E229 Y244T224-D226 VanDerWaalsContact C-N 3.25Å; T224-D226 PolarHBondContact O-N 3.16Å; T224-R227 PolarHBondContact N-O 2.83Å; T224-R227 VanDerWaalsContact N-O 3.12Å; T224-R227 VanDerWaalsContact OG1-CG 3.26Å; T224-R227 WeakPolarHBondContact OG1-CG 3.47Å; T224-R227 PolarHBondContact OG1-N 3.36Å; T224-R227 PolarHBondContact OG1-O 3.37Å; T224-E229 HydrophobicContact CG2-CG 3.99Å; T224-Y244 VanDerWaalsContact O-CE2 3.22Å; T224-Y244 WeakPolarHBondContact O-CE2 3.28Å; T224-Y244 PolarHBondContact O-OH 2.87Å
225A92.3Very high92.7Very high46 Ų4647.3 Ų47.338%0.3824%0.243SC..SBendtrans-59.2-29.6177.600000114.3R301A225-R301 PolarHBondContact O-NH1 3.01Å; A225-R301 PolarHBondContact O-NH2 3.36Å
226D91.9Very high93Very high90 Ų9045.6 Ų45.648%0.48122%0.223SC..SBendtrans-124.4-17.2-171.6-65.7-63.4000115T224 P243 Y244 R301T224-D226 VanDerWaalsContact C-N 3.25Å; T224-D226 PolarHBondContact O-N 3.16Å; D226-P243 WeakPolarHBondContact O-CA 3.37Å; D226-Y244 VanDerWaalsContact O-CD2 3.24Å; D226-Y244 WeakPolarHBondContact O-CD2 3.45Å; D226-Y244 PolarHBondContact O-N 3.45Å; D226-R301 IonicContact OD1-CZ 2.8Å; D226-R301 IonicContact OD1-NH1 2.7Å; D226-R301 PolarHBondContact OD1-NH1 3.01Å; D226-R301 IonicContact OD2-NH1 3.03Å
227R94.9Very high93.3Very high81 Ų8149.1 Ų49.131%0.30624%0.237SC..EExtended strand (participates in β ladder)trans-147.7145.8-176.663.2-169.9-168.1-164.90.9113.7T224 E229 W241 F242 P243 Y244T224-R227 PolarHBondContact N-O 2.83Å; T224-R227 VanDerWaalsContact N-O 3.12Å; T224-R227 VanDerWaalsContact OG1-CG 3.26Å; T224-R227 WeakPolarHBondContact OG1-CG 3.47Å; T224-R227 PolarHBondContact OG1-N 3.36Å; T224-R227 PolarHBondContact OG1-O 3.37Å; R227-E229 HydrophobicContact CG-CG 3.99Å; R227-E229 IonicContact CZ-OE1 3.93Å; R227-E229 IonicContact NE-OE1 2.73Å; R227-E229 PolarHBondContact NE-OE1 2.91Å; R227-E229 IonicContact NH2-OE1 3.34Å; R227-E229 PolarHBondContact NH2-OE1 2.81Å; R227-W241 HydrophobicContact CG-CB 4.34Å; R227-F242 WeakPolarHBondContact CA-O 3.47Å; R227-P243 HydrophobicContact CB-CB 4.41Å; R227-P243 HydrophobicContact CB-CG 4.46Å; R227-Y244 VanDerWaalsContact C-CZ 3.46Å; R227-Y244 VanDerWaalsContact N-CE2 3.31Å; R227-Y244 PolarHBondContact O-OH 2.96Å
228L96.5Very high93.4Very high0 Ų048.8 Ų48.80%024%0.235CC..EExtended strand (participates in β ladder)trans-78.5129.2161.3174.664.6000108L221 L223 W241 F242 Y244 V259L221-L228 HydrophobicContact CB-CD1 4.27Å; L223-L228 HydrophobicContact CD2-CD1 3.93Å; L228-W241 CarbonylContact O-C 3.59Å; L228-W241 WeakPolarHBondContact O-CA 3.49Å; L228-F242 HydrophobicContact CB-CB 4.47Å; L228-F242 HydrophobicContact CB-CD2 4.49Å; L228-F242 HydrophobicContact CD2-CD2 4.09Å; L228-F242 HydrophobicContact CG-CD2 4.27Å; L228-F242 PolarHBondContact N-O 2.85Å; L228-F242 PolarHBondContact O-N 3.39Å; L228-Y244 HydrophobicContact CB-CE1 3.98Å; L228-V259 HydrophobicContact CD2-CG2 4.08Å
229E95.9Very high93.4Very high4 Ų448.7 Ų48.72%0.01924%0.237CC..EExtended strand (participates in β ladder)trans-111.3143177.3-57.2-175.3152.900110.9L221 R222 T224 R227 L231 P238 W241L221-E229 WeakPolarHBondContact CA-O 3.46Å; R222-E229 HydrophobicContact CB-CB 4.38Å; R222-E229 IonicContact CZ-OE2 2.74Å; R222-E229 VanDerWaalsContact CZ-OE2 3.25Å; R222-E229 PolarHBondContact N-O 2.87Å; R222-E229 IonicContact NE-OE2 3.73Å; R222-E229 PolarHBondContact NE-OE2 3.41Å; R222-E229 IonicContact NH2-OE2 3.87Å; R222-E229 PolarHBondContact NH2-OE2 3.23Å; R222-E229 PolarHBondContact O-N 3.28Å; T224-E229 HydrophobicContact CG2-CG 3.99Å; R227-E229 HydrophobicContact CG-CG 3.99Å; R227-E229 IonicContact CZ-OE1 3.93Å; R227-E229 IonicContact NE-OE1 2.73Å; R227-E229 PolarHBondContact NE-OE1 2.91Å; R227-E229 IonicContact NH2-OE1 3.34Å; R227-E229 PolarHBondContact NH2-OE1 2.81Å; E229-L231 HydrophobicContact CB-CD1 3.62Å; E229-P238 HydrophobicContact CB-CB 4.4Å; E229-W241 HydrophobicContact CG-CB 4.22Å
230V96.2Very high93.4Very high0 Ų049.8 Ų49.80%024%0.242CC..EExtended strand (participates in β ladder)trans-108.2114.3171.2-174.30000107.3L212 L214 C219 L221 P238 V239 H240 F242 F274L212-V230 HydrophobicContact CD2-CG2 4.29Å; L214-V230 HydrophobicContact CD1-CG1 4.33Å; L214-V230 HydrophobicContact CD2-CG1 4.33Å; C219-V230 HydrophobicContact CB-CG1 4.3Å; L221-V230 HydrophobicContact CD2-CG2 3.93Å; V230-P238 WeakPolarHBondContact O-CA 3.46Å; V230-V239 PolarHBondContact O-N 3.33Å; V230-H240 HydrophobicContact CB-CB 4.39Å; V230-H240 PolarHBondContact N-O 3.01Å; V230-H240 PolarHBondContact O-N 3.4Å; V230-F242 HydrophobicContact CG2-CD2 4.36Å; V230-F242 HydrophobicContact CG2-CE2 3.63Å; V230-F242 HydrophobicContact CG2-CZ 4.39Å; V230-F274 HydrophobicContact CG1-CE1 4.33Å; V230-F274 HydrophobicContact CG2-CE1 4.22Å; V230-F274 HydrophobicContact CG2-CZ 3.88Å
231L94.8Very high93.3Very high1 Ų152.4 Ų52.41%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-102.6135.5-179.1-73.360.1000109.1K198 C219 Y220 R222 E229 H236 K237 P238K198-L231 HydrophobicContact CG-CD2 4.45Å; C219-L231 WeakPolarHBondContact CB-O 3.47Å; Y220-L231 PolarHBondContact N-O 3.28Å; Y220-L231 WeakPolarHBondContact O-CB 3.47Å; Y220-L231 PolarHBondContact O-N 2.93Å; R222-L231 HydrophobicContact CB-CD1 3.79Å; R222-L231 HydrophobicContact CB-CD2 4.46Å; E229-L231 HydrophobicContact CB-CD1 3.62Å; L231-H236 WeakPolarHBondContact CD2-O 3.39Å; L231-K237 VanDerWaalsContact CA-O 3.29Å; L231-K237 WeakPolarHBondContact CA-O 3.45Å; L231-P238 HydrophobicContact CD1-CB 4.23Å; L231-P238 HydrophobicContact CG-CB 4.45Å
232D92.9Very high93.4Very high22 Ų2252.4 Ų52.412%0.11825%0.251CS..EExtended strand (participates in β ladder)trans-62.7144.5170.6157.359.4000110.8Y234 S235 H236 K237 V239D232-Y234 PolarHBondContact OD2-N 2.99Å; D232-S235 WeakPolarHBondContact OD2-CB 3.4Å; D232-S235 PolarHBondContact OD2-N 3.16Å; D232-S235 PolarHBondContact OD2-OG 3.27Å; D232-H236 VanDerWaalsContact O-CA 3.24Å; D232-H236 WeakPolarHBondContact O-CA 3.38Å; D232-H236 PolarHBondContact O-N 2.9Å; D232-K237 PolarHBondContact N-O 2.94Å; D232-K237 VanDerWaalsContact N-O 3.08Å; D232-V239 HydrophobicContact CB-CG2 3.59Å
233Y91.6Very high93.4Very high93 Ų9350.9 Ų50.937%0.36525%0.25SS..THydrogen-bonded Turntrans-61.6-46.9-175.2-176.3-98.3000112.3D218 Y220 H236D218-Y233 HydrophobicContact CB-CD2 4Å; D218-Y233 HydrophobicContact CB-CE2 4.5Å; D218-Y233 HydrophobicContact CB-CG 4.33Å; D218-Y233 WeakPolarHBondContact O-CB 3.35Å; Y220-Y233 HydrophobicContact CD2-CD2 4.33Å; Y220-Y233 AromaticContact CE2-CD2 3.57Å; Y220-Y233 HydrophobicContact CE2-CD2 3.57Å; Y220-Y233 HydrophobicContact CE2-CE2 4.01Å; Y220-Y233 HydrophobicContact CE2-CG 4.25Å; Y233-H236 PolarHBondContact O-CE1 3.01Å; Y233-H236 PolarHBondContact O-ND1 3.26Å; Y233-H236 VanDerWaalsContact O-ND1 3.09Å
234Y89.6Confident93.5Very high148 Ų14851 Ų5158%0.5825%0.25SS*.THydrogen-bonded Turntrans-82.3-47.3-172.6-67.1-76.6000113.7Q216 D232Q216-Y234 HydrophobicContact CG-CE2 4.43Å; Q216-Y234 PolarHBondContact NE2-OH 3.41Å; Q216-Y234 PolarHBondContact OE1-OH 2.75Å; D232-Y234 PolarHBondContact OD2-N 2.99Å
235S89.8Confident93.6Very high57 Ų5754 Ų5440%0.39927%0.265SS..THydrogen-bonded Turntrans-81.5-18.4-178.167.90000113.3D232 K237D232-S235 WeakPolarHBondContact OD2-CB 3.4Å; D232-S235 PolarHBondContact OD2-N 3.16Å; D232-S235 PolarHBondContact OD2-OG 3.27Å; S235-K237 PolarHBondContact O-N 3.23Å; S235-K237 PolarHBondContact OG-N 3.1Å
236H89.3Confident93.8Very high80 Ų8053.8 Ų53.837%0.3726%0.257SS..  trans5318.8-169-57.6-47.3000114.5K198 Y220 L231 D232 Y233K198-H236 PolarHBondContact NZ-CD2 3.27Å; Y220-H236 AromaticContact CD2-ND1 3.77Å; Y220-H236 AromaticContact CE2-CE1 3.53Å; Y220-H236 AromaticContact CE2-ND1 3.59Å; L231-H236 WeakPolarHBondContact CD2-O 3.39Å; D232-H236 VanDerWaalsContact O-CA 3.24Å; D232-H236 WeakPolarHBondContact O-CA 3.38Å; D232-H236 PolarHBondContact O-N 2.9Å; Y233-H236 PolarHBondContact O-CE1 3.01Å; Y233-H236 PolarHBondContact O-ND1 3.26Å; Y233-H236 VanDerWaalsContact O-ND1 3.09Å
237K91.3Very high94Very high147 Ų14750.4 Ų50.464%0.63924%0.239SC*.  trans-90.2142.6178.3-68.2176.3-176.5177.80110.1L231 D232 S235 V239L231-K237 VanDerWaalsContact CA-O 3.29Å; L231-K237 WeakPolarHBondContact CA-O 3.45Å; D232-K237 PolarHBondContact N-O 2.94Å; D232-K237 VanDerWaalsContact N-O 3.08Å; S235-K237 PolarHBondContact O-N 3.23Å; S235-K237 PolarHBondContact OG-N 3.1Å; K237-V239 PolarHBondContact O-N 2.99Å
238P92.4Very high94Very high49 Ų4952.2 Ų52.232%0.31825%0.245SC..EExtended strand (participates in β ladder)trans-67.7113.9175.628.1-33.4000109.8E229 V230 L231E229-P238 HydrophobicContact CB-CB 4.4Å; V230-P238 WeakPolarHBondContact O-CA 3.46Å; L231-P238 HydrophobicContact CD1-CB 4.23Å; L231-P238 HydrophobicContact CG-CB 4.45Å
239V92.6Very high93.9Very high62 Ų6261.1 Ų61.138%0.37628%0.279SS..EExtended strand (participates in β ladder)trans-83.5-44.2176.3-171.90000109.7L214 V230 D232 K237L214-V239 HydrophobicContact CD2-CB 4.25Å; L214-V239 HydrophobicContact CD2-CG1 4.45Å; L214-V239 HydrophobicContact CD2-CG2 4.09Å; V230-V239 PolarHBondContact O-N 3.33Å; D232-V239 HydrophobicContact CB-CG2 3.59Å; K237-V239 PolarHBondContact O-N 2.99Å
240H94.5Very high93.9Very high25 Ų2563.5 Ų63.512%0.11629%0.289CS..EExtended strand (participates in β ladder)trans-134.7156.2-179.3-78.1-75000111.7K211 L212 V230 S266 T267K211-H240 PolarHBondContact O-NE2 2.98Å; L212-H240 HydrophobicContact CD2-CB 3.67Å; L212-H240 PolarHBondContact O-CD2 3.14Å; L212-H240 VanDerWaalsContact O-CD2 3.22Å; L212-H240 PolarHBondContact O-NE2 3.35Å; V230-H240 HydrophobicContact CB-CB 4.39Å; V230-H240 PolarHBondContact N-O 3.01Å; V230-H240 PolarHBondContact O-N 3.4Å; H240-S266 PolarHBondContact ND1-OG 3.47Å; H240-T267 HydrophobicContact CB-CG2 4.23Å; H240-T267 WeakPolarHBondContact ND1-CG2 3.31Å
241W94.4Very high93.9Very high99 Ų9964.5 Ų64.538%0.37530%0.3SS..EExtended strand (participates in β ladder)trans-143.4150.1172.856.269.8000113.4R227 L228 E229 S266R227-W241 HydrophobicContact CG-CB 4.34Å; L228-W241 CarbonylContact O-C 3.59Å; L228-W241 WeakPolarHBondContact O-CA 3.49Å; E229-W241 HydrophobicContact CG-CB 4.22Å; W241-S266 PolarHBondContact N-OG 3.47Å; W241-S266 PolarHBondContact O-N 2.9Å; W241-S266 PolarHBondContact O-OG 3.02Å
242F96.4Very high93.8Very high0 Ų065.6 Ų65.60%031%0.309CS..EExtended strand (participates in β ladder)trans-122.898.1178.1-48.5-71.2000109.3L212 R227 L228 V230 Y244 I247 V259 A261 C265 T267 F272 F274L212-F242 HydrophobicContact CD2-CZ 4.08Å; R227-F242 WeakPolarHBondContact CA-O 3.47Å; L228-F242 HydrophobicContact CB-CB 4.47Å; L228-F242 HydrophobicContact CB-CD2 4.49Å; L228-F242 HydrophobicContact CD2-CD2 4.09Å; L228-F242 HydrophobicContact CG-CD2 4.27Å; L228-F242 PolarHBondContact N-O 2.85Å; L228-F242 PolarHBondContact O-N 3.39Å; V230-F242 HydrophobicContact CG2-CD2 4.36Å; V230-F242 HydrophobicContact CG2-CE2 3.63Å; V230-F242 HydrophobicContact CG2-CZ 4.39Å; F242-Y244 PolarHBondContact O-N 3.14Å; F242-I247 HydrophobicContact CB-CD1 3.89Å; F242-I247 HydrophobicContact CB-CG1 3.85Å; F242-V259 HydrophobicContact CD2-CG1 4.33Å; F242-V259 HydrophobicContact CG-CG1 4.4Å; F242-A261 HydrophobicContact CD1-CB 3.82Å; F242-A261 HydrophobicContact CE1-CB 3.81Å; F242-C265 HydrophobicContact CD1-CB 3.92Å; F242-T267 HydrophobicContact CE1-CG2 3.85Å; F242-T267 HydrophobicContact CZ-CG2 4.2Å; F242-F272 AromaticContact CE1-CD2 3.75Å; F242-F272 HydrophobicContact CE1-CD2 3.75Å; F242-F272 AromaticContact CE1-CE2 3.63Å; F242-F272 HydrophobicContact CE1-CE2 3.63Å; F242-F272 AromaticContact CZ-CD2 3.53Å; F242-F272 HydrophobicContact CZ-CD2 3.53Å; F242-F272 AromaticContact CZ-CE2 3.8Å; F242-F272 HydrophobicContact CZ-CE2 3.8Å; F242-F272 HydrophobicContact CZ-CG 4.14Å; F242-F274 HydrophobicContact CE2-CE2 4.43Å; F242-F274 HydrophobicContact CE2-CZ 4.29Å
243P96.4Very high93.6Very high34 Ų3465.9 Ų65.922%0.22131%0.313CS..EExtended strand (participates in β ladder)trans-61.4132173.8-22.435.8000109.9D226 R227 L245 L246 I247D226-P243 WeakPolarHBondContact O-CA 3.37Å; R227-P243 HydrophobicContact CB-CB 4.41Å; R227-P243 HydrophobicContact CB-CG 4.46Å; P243-L245 PolarHBondContact O-N 3.03Å; P243-L246 HydrophobicContact CB-CD1 4.05Å; P243-L246 HydrophobicContact CB-CG 4.26Å; P243-L246 HydrophobicContact CG-CD1 3.95Å; P243-L246 WeakPolarHBondContact O-CB 3.39Å; P243-L246 PolarHBondContact O-N 2.9Å; P243-I247 PolarHBondContact O-N 3.48Å
244Y96.7Very high93.3Very high8 Ų869.4 Ų69.43%0.03134%0.338CS..G310 helixtrans-59.6-28.8-167.7-59.6-58.6000113.6T224 D226 R227 L228 F242 L246 I247 I291 L294 A295T224-Y244 VanDerWaalsContact O-CE2 3.22Å; T224-Y244 WeakPolarHBondContact O-CE2 3.28Å; T224-Y244 PolarHBondContact O-OH 2.87Å; D226-Y244 VanDerWaalsContact O-CD2 3.24Å; D226-Y244 WeakPolarHBondContact O-CD2 3.45Å; D226-Y244 PolarHBondContact O-N 3.45Å; R227-Y244 VanDerWaalsContact C-CZ 3.46Å; R227-Y244 VanDerWaalsContact N-CE2 3.31Å; R227-Y244 PolarHBondContact O-OH 2.96Å; L228-Y244 HydrophobicContact CB-CE1 3.98Å; F242-Y244 PolarHBondContact O-N 3.14Å; Y244-L246 PolarHBondContact O-N 2.76Å; Y244-I247 HydrophobicContact CD1-CD1 4.21Å; Y244-I291 HydrophobicContact CD1-CG2 4.15Å; Y244-I291 HydrophobicContact CE1-CG2 4.19Å; Y244-L294 HydrophobicContact CD2-CB 3.98Å; Y244-L294 HydrophobicContact CE2-CB 3.53Å; Y244-L294 HydrophobicContact CE2-CD1 4.24Å; Y244-L294 HydrophobicContact CE2-CG 4.44Å; Y244-L294 WeakPolarHBondContact OH-CD1 3.43Å; Y244-A295 HydrophobicContact CG-CB 4.31Å
245L94.7Very high93.2Very high89 Ų8964 Ų6447%0.46633%0.327SS..G310 helixtrans-70.7-10.3176.3-58.7176000114.3P243 A298 K299 T302P243-L245 PolarHBondContact O-N 3.03Å; L245-A298 HydrophobicContact CD2-CB 4.37Å; L245-A298 HydrophobicContact CG-CB 4.4Å; L245-K299 HydrophobicContact CD2-CB 3.88Å; L245-K299 HydrophobicContact CD2-CG 4.48Å; L245-T302 WeakPolarHBondContact CD1-OG1 3.29Å
246L96.1Very high93.3Very high40 Ų4061.8 Ų61.821%0.20931%0.311CS..G310 helixtrans-114.4-7.5-176.2-56.8179000113.1P243 Y244 G262 R264P243-L246 HydrophobicContact CB-CD1 4.05Å; P243-L246 HydrophobicContact CB-CG 4.26Å; P243-L246 HydrophobicContact CG-CD1 3.95Å; P243-L246 WeakPolarHBondContact O-CB 3.39Å; P243-L246 PolarHBondContact O-N 2.9Å; Y244-L246 PolarHBondContact O-N 2.76Å; L246-G262 VanDerWaalsContact O-CA 3.29Å; L246-G262 WeakPolarHBondContact O-CA 3.3Å; L246-G262 PolarHBondContact O-N 3.42Å; L246-R264 HydrophobicContact CD1-CB 3.76Å; L246-R264 WeakPolarHBondContact CD1-O 3.48Å; L246-R264 HydrophobicContact CD2-CB 4.08Å; L246-R264 HydrophobicContact CG-CB 4.44Å
247I96.6Very high93.7Very high19 Ų1958 Ų5810%0.09729%0.294CS..EExtended strand (participates in β ladder)trans-73.7123.4169.6-57.9174.5000107.9F242 P243 Y244 R249 F250 V259 D260F242-I247 HydrophobicContact CB-CD1 3.89Å; F242-I247 HydrophobicContact CB-CG1 3.85Å; P243-I247 PolarHBondContact O-N 3.48Å; Y244-I247 HydrophobicContact CD1-CD1 4.21Å; I247-R249 VanDerWaalsContact CG2-O 3.3Å; I247-R249 WeakPolarHBondContact CG2-O 3.5Å; I247-F250 HydrophobicContact CG2-CB 4.19Å; I247-F250 HydrophobicContact CG2-CD1 3.87Å; I247-F250 HydrophobicContact CG2-CG 4.49Å; I247-V259 HydrophobicContact CD1-CG1 4.29Å; I247-V259 HydrophobicContact CG1-CG1 4.38Å; I247-V259 HydrophobicContact CG2-CG1 4.02Å; I247-D260 CarbonylContact C-O 3.49Å
248R95.4Very high93.9Very high119 Ų11956.9 Ų56.945%0.44929%0.285SS..EExtended strand (participates in β ladder)trans-71.2-46.4179.2-55.1-167.9-175.7106.2-8.5111.4D260 A261 D269R248-D260 HydrophobicContact CB-CB 4.27Å; R248-D260 VanDerWaalsContact CD-OD1 3.26Å; R248-D260 WeakPolarHBondContact CD-OD1 3.25Å; R248-D260 IonicContact CZ-OD1 2.7Å; R248-D260 PolarHBondContact N-O 3.49Å; R248-D260 IonicContact NE-OD1 3.67Å; R248-D260 IonicContact NH1-OD1 3.08Å; R248-D260 PolarHBondContact NH1-OD1 3.44Å; R248-A261 PolarHBondContact NH1-O 2.9Å; R248-D269 IonicContact CZ-OD2 3.88Å; R248-D269 IonicContact NH2-OD2 2.75Å; R248-D269 PolarHBondContact NH2-OD2 2.93Å
249R95.2Very high94.1Very high187 Ų18754.8 Ų54.871%0.70627%0.271SS*.EExtended strand (participates in β ladder)trans-151.5148.2-176.3-58.7-177.669.8-133.51.8109.2I247 D260I247-R249 VanDerWaalsContact CG2-O 3.3Å; I247-R249 WeakPolarHBondContact CG2-O 3.5Å; R249-D260 HydrophobicContact CB-CB 4.03Å; R249-D260 WeakPolarHBondContact O-CB 3.49Å; R249-D260 PolarHBondContact O-N 2.76Å
250F95.4Very high94.3Very high54 Ų5453 Ų5324%0.23726%0.26CS..EExtended strand (participates in β ladder)trans-149.6161.1169.358.8-86.1000109.5I247 R258 V288 I291 R292I247-F250 HydrophobicContact CG2-CB 4.19Å; I247-F250 HydrophobicContact CG2-CD1 3.87Å; I247-F250 HydrophobicContact CG2-CG 4.49Å; F250-R258 WeakPolarHBondContact CA-O 3.49Å; F250-R258 WeakPolarHBondContact CB-O 3.47Å; F250-V288 HydrophobicContact CD2-CG1 4.13Å; F250-V288 HydrophobicContact CE2-CG1 4.2Å; F250-I291 HydrophobicContact CD1-CG2 4.26Å; F250-I291 HydrophobicContact CD2-CB 4.27Å; F250-I291 HydrophobicContact CD2-CG2 3.7Å; F250-I291 HydrophobicContact CE1-CG2 4.21Å; F250-I291 HydrophobicContact CE2-CB 4.09Å; F250-I291 HydrophobicContact CE2-CG2 3.65Å; F250-I291 HydrophobicContact CG-CG2 4.03Å; F250-I291 HydrophobicContact CZ-CG2 3.93Å; F250-R292 HydrophobicContact CE2-CB 4.01Å; F250-R292 HydrophobicContact CZ-CB 3.99Å
251G95.4Very high94.4Very high21 Ų2151.9 Ų51.922%0.21626%0.255CS..EExtended strand (participates in β ladder)trans171.8169.217900000111.4R258G251-R258 PolarHBondContact N-O 2.86Å; G251-R258 PolarHBondContact O-N 2.8Å
252A93.3Very high94.5Very high25 Ų2547.6 Ų47.621%0.20724%0.241CC..EExtended strand (participates in β ladder)trans-109.6160.8177.800000111V256 V284 V288A252-V256 CarbonylContact C-O 3.55Å; A252-V256 WeakPolarHBondContact CA-O 3.48Å; A252-V284 HydrophobicContact CB-CB 4.25Å; A252-V284 HydrophobicContact CB-CG1 4.03Å; A252-V288 HydrophobicContact CB-CG2 3.71Å
253S88.8Confident94.5Very high28 Ų2857.1 Ų57.120%0.19628%0.277CS..EExtended strand (participates in β ladder)trans-162.2128.9169.859.90000108.1G255 V256 R258S253-G255 PolarHBondContact O-N 3.34Å; S253-G255 VanDerWaalsContact O-N 3.14Å; S253-V256 PolarHBondContact N-O 3.21Å; S253-V256 WeakPolarHBondContact O-CB 3.35Å; S253-V256 PolarHBondContact O-N 2.86Å; S253-R258 PolarHBondContact OG-NE 2.95Å; S253-R258 PolarHBondContact OG-NH2 3Å
254N85.8Confident94.3Very high167 Ų16764.9 Ų64.989%0.89330%0.302SS*.THydrogen-bonded Turntrans51.440.6171.2-50.815.4000113.3V256N254-V256 VanDerWaalsContact C-N 3.3Å; N254-V256 PolarHBondContact O-N 2.89Å
255G85.8Confident94.2Very high33 Ų3365 Ų6534%0.3430%0.304SS..THydrogen-bonded Turntrans78.40-176.600000116.3S253 C276S253-G255 PolarHBondContact O-N 3.34Å; S253-G255 VanDerWaalsContact O-N 3.14Å; G255-C276 PolarHBondContact O-N 3.17Å
256V93.4Very high94.1Very high12 Ų1263.2 Ų63.27%0.07330%0.299CS..EExtended strand (participates in β ladder)trans-104.2117.9-179.9-174.60000111E204 A252 S253 N254 F273 F274 R275E204-V256 WeakPolarHBondContact OE1-CG2 3.26Å; E204-V256 WeakPolarHBondContact OE2-CG1 3.31Å; E204-V256 WeakPolarHBondContact OE2-CG2 3.42Å; A252-V256 CarbonylContact C-O 3.55Å; A252-V256 WeakPolarHBondContact CA-O 3.48Å; S253-V256 PolarHBondContact N-O 3.21Å; S253-V256 WeakPolarHBondContact O-CB 3.35Å; S253-V256 PolarHBondContact O-N 2.86Å; N254-V256 VanDerWaalsContact C-N 3.3Å; N254-V256 PolarHBondContact O-N 2.89Å; V256-F273 HydrophobicContact CG1-CB 3.98Å; V256-F273 HydrophobicContact CG1-CD1 4.26Å; V256-F274 CarbonylContact C-O 3.53Å; V256-F274 WeakPolarHBondContact CA-O 3.29Å; V256-R275 HydrophobicContact CG2-CB 4.24Å; V256-R275 HydrophobicContact CG2-CG 4.26Å
257L96.1Very high93.9Very high0 Ų062.1 Ų62.10%029%0.294CS..EExtended strand (participates in β ladder)trans-76.6122167.6174.467.4000109.6L221 V259 F274 V284 L287 V288 I291L221-L257 HydrophobicContact CD1-CD2 3.74Å; L257-V259 HydrophobicContact CD2-CG2 4.35Å; L257-V259 HydrophobicContact CG-CG2 4.15Å; L257-F274 HydrophobicContact CB-CB 4.4Å; L257-F274 PolarHBondContact N-O 2.97Å; L257-F274 PolarHBondContact O-N 3.23Å; L257-V284 HydrophobicContact CB-CG1 3.9Å; L257-L287 HydrophobicContact CD2-CD2 4.02Å; L257-L287 HydrophobicContact CD2-CG 4.38Å; L257-V288 HydrophobicContact CD1-CG2 3.54Å; L257-I291 HydrophobicContact CD1-CD1 4.01Å; L257-I291 HydrophobicContact CD2-CD1 3.99Å
258R96.1Very high93.8Very high124 Ų12462.5 Ų62.547%0.46830%0.303SS..EExtended strand (participates in β ladder)trans-103.7132.6177.2-51.2-174.7-174.7-153.4-1.4110F250 G251 S253 F272 F273F250-R258 WeakPolarHBondContact CA-O 3.49Å; F250-R258 WeakPolarHBondContact CB-O 3.47Å; G251-R258 PolarHBondContact N-O 2.86Å; G251-R258 PolarHBondContact O-N 2.8Å; S253-R258 PolarHBondContact OG-NE 2.95Å; S253-R258 PolarHBondContact OG-NH2 3Å; R258-F272 WeakPolarHBondContact CA-O 3.37Å; R258-F273 HydrophobicContact CB-CD1 4.5Å; R258-F273 HydrophobicContact CB-CE1 4.5Å; R258-F273 HydrophobicContact CG-CD1 3.83Å; R258-F273 HydrophobicContact CG-CE1 3.91Å
259V97Very high93.7Very high4 Ų459.3 Ų59.32%0.02430%0.295CS..EExtended strand (participates in β ladder)trans-130.1118.4179.8-176.50000110.3L228 F242 I247 L257 K271 F272 F274L228-V259 HydrophobicContact CD2-CG2 4.08Å; F242-V259 HydrophobicContact CD2-CG1 4.33Å; F242-V259 HydrophobicContact CG-CG1 4.4Å; I247-V259 HydrophobicContact CD1-CG1 4.29Å; I247-V259 HydrophobicContact CG1-CG1 4.38Å; I247-V259 HydrophobicContact CG2-CG1 4.02Å; L257-V259 HydrophobicContact CD2-CG2 4.35Å; L257-V259 HydrophobicContact CG-CG2 4.15Å; V259-K271 WeakPolarHBondContact O-CA 3.37Å; V259-F272 PolarHBondContact N-O 2.6Å; V259-F272 PolarHBondContact O-N 3.49Å; V259-F274 HydrophobicContact CG2-CD2 4.31Å; V259-F274 HydrophobicContact CG2-CE2 4.17Å
260D96.7Very high93.7Very high26 Ų2650.6 Ų50.614%0.13926%0.263CS..EExtended strand (participates in β ladder)trans-99.399.4173.8-172.5-32.7000108.8I247 R248 R249I247-D260 CarbonylContact C-O 3.49Å; R248-D260 HydrophobicContact CB-CB 4.27Å; R248-D260 VanDerWaalsContact CD-OD1 3.26Å; R248-D260 WeakPolarHBondContact CD-OD1 3.25Å; R248-D260 IonicContact CZ-OD1 2.7Å; R248-D260 PolarHBondContact N-O 3.49Å; R248-D260 IonicContact NE-OD1 3.67Å; R248-D260 IonicContact NH1-OD1 3.08Å; R248-D260 PolarHBondContact NH1-OD1 3.44Å; R249-D260 HydrophobicContact CB-CB 4.03Å; R249-D260 WeakPolarHBondContact O-CB 3.49Å; R249-D260 PolarHBondContact O-N 2.76Å
261A96.9Very high93.8Very high0 Ų053.4 Ų53.40%028%0.275CS..EExtended strand (participates in β ladder)trans-79132.8-177.300000111.6F242 R248 C265 D269 G270 F272F242-A261 HydrophobicContact CD1-CB 3.82Å; F242-A261 HydrophobicContact CE1-CB 3.81Å; R248-A261 PolarHBondContact NH1-O 2.9Å; A261-C265 HydrophobicContact CB-CB 3.98Å; A261-D269 VanDerWaalsContact O-CA 3.27Å; A261-D269 WeakPolarHBondContact O-CA 3.46Å; A261-D269 VanDerWaalsContact O-CB 3.25Å; A261-D269 WeakPolarHBondContact O-CB 3.39Å; A261-G270 PolarHBondContact N-O 3.36Å; A261-G270 PolarHBondContact O-N 3.31Å; A261-F272 HydrophobicContact CB-CD2 4.3Å; A261-F272 HydrophobicContact CB-CE2 3.83Å
262G95.9Very high93.8Very high9 Ų952.4 Ų52.49%0.09327%0.265CS..  trans-7716117100000112.8L246 R264 C265L246-G262 VanDerWaalsContact O-CA 3.29Å; L246-G262 WeakPolarHBondContact O-CA 3.3Å; L246-G262 PolarHBondContact O-N 3.42Å; G262-R264 PolarHBondContact O-N 2.91Å; G262-C265 WeakPolarHBondContact O-CB 3.34Å; G262-C265 PolarHBondContact O-N 3.07Å
263R95.8Very high94Very high200 Ų20053 Ų5376%0.75526%0.263SS*.THydrogen-bonded Turntrans-55.3-2.2-177.4-71.2176.8-176.4170.5-0.1117.1D269R263-D269 HydrophobicContact CG-CB 3.81Å; R263-D269 WeakPolarHBondContact CG-OD1 3.34Å; R263-D269 WeakPolarHBondContact CG-OD2 3.47Å; R263-D269 IonicContact NE-OD2 3.12Å; R263-D269 PolarHBondContact NE-OD2 2.96Å; R263-D269 VanDerWaalsContact NE-OD2 3.12Å
264R93.7Very high94.3Very high198 Ų19851.7 Ų51.775%0.74725%0.253SS*.THydrogen-bonded Turntrans-114.60.7-179.9-66.7-178.564.2-156.1-2.2112.9L246 G262L246-R264 HydrophobicContact CD1-CB 3.76Å; L246-R264 WeakPolarHBondContact CD1-O 3.48Å; L246-R264 HydrophobicContact CD2-CB 4.08Å; L246-R264 HydrophobicContact CG-CB 4.44Å; G262-R264 PolarHBondContact O-N 2.91Å
265C94.1Very high94.7Very high9 Ų949 Ų496%0.06123%0.231CC..SBendtrans-70.6162.1167.6-68.40000110.6F242 A261 G262 T267 G268F242-C265 HydrophobicContact CD1-CB 3.92Å; A261-C265 HydrophobicContact CB-CB 3.98Å; G262-C265 WeakPolarHBondContact O-CB 3.34Å; G262-C265 PolarHBondContact O-N 3.07Å; C265-T267 PolarHBondContact O-N 3.32Å; C265-G268 PolarHBondContact O-N 3.49Å
266S91.8Very high95Very high53 Ų5347.9 Ų47.937%0.37122%0.217SC..THydrogen-bonded Turntrans-57.7-31.6-179.155.50000113.9H240 W241 G268H240-S266 PolarHBondContact ND1-OG 3.47Å; W241-S266 PolarHBondContact N-OG 3.47Å; W241-S266 PolarHBondContact O-N 2.9Å; W241-S266 PolarHBondContact O-OG 3.02Å; S266-G268 VanDerWaalsContact C-N 3.3Å; S266-G268 PolarHBondContact O-N 3.01Å
267T93.4Very high94.7Very high17 Ų1751.1 Ų51.110%0.10424%0.241CC..THydrogen-bonded Turntrans-79-1.6176.953.10000114.9L212 H240 F242 C265 F272L212-T267 HydrophobicContact CD2-CG2 3.65Å; L212-T267 HydrophobicContact CG-CG2 4.34Å; H240-T267 HydrophobicContact CB-CG2 4.23Å; H240-T267 WeakPolarHBondContact ND1-CG2 3.31Å; F242-T267 HydrophobicContact CE1-CG2 3.85Å; F242-T267 HydrophobicContact CZ-CG2 4.2Å; C265-T267 PolarHBondContact O-N 3.32Å; T267-F272 HydrophobicContact CG2-CE1 4.45Å; T267-F272 HydrophobicContact CG2-CE2 4.12Å; T267-F272 HydrophobicContact CG2-CZ 3.75Å
268G93.1Very high94.1Very high27 Ų2751.9 Ų51.928%0.27825%0.246SC..  trans64.2-155.6-153.400000111C265 S266C265-G268 PolarHBondContact O-N 3.49Å; S266-G268 VanDerWaalsContact C-N 3.3Å; S266-G268 PolarHBondContact O-N 3.01Å
269D94.2Very high93Very high52 Ų5250 Ų5028%0.27825%0.25SC..SBendtrans-85.3140.4171.951.8-23.4000114.1K211 R248 A261 R263K211-D269 PolarHBondContact NZ-O 3.25Å; R248-D269 IonicContact CZ-OD2 3.88Å; R248-D269 IonicContact NH2-OD2 2.75Å; R248-D269 PolarHBondContact NH2-OD2 2.93Å; A261-D269 VanDerWaalsContact O-CA 3.27Å; A261-D269 WeakPolarHBondContact O-CA 3.46Å; A261-D269 VanDerWaalsContact O-CB 3.25Å; A261-D269 WeakPolarHBondContact O-CB 3.39Å; R263-D269 HydrophobicContact CG-CB 3.81Å; R263-D269 WeakPolarHBondContact CG-OD1 3.34Å; R263-D269 WeakPolarHBondContact CG-OD2 3.47Å; R263-D269 IonicContact NE-OD2 3.12Å; R263-D269 PolarHBondContact NE-OD2 2.96Å; R263-D269 VanDerWaalsContact NE-OD2 3.12Å
270G95.2Very high91.7Very high4 Ų454.5 Ų54.54%0.04127%0.273CS..EExtended strand (participates in β ladder)trans-178.5166.4178.600000112.3D208 A261D208-G270 VanDerWaalsContact OD2-CA 3.26Å; D208-G270 WeakPolarHBondContact OD2-CA 3.4Å; A261-G270 PolarHBondContact N-O 3.36Å; A261-G270 PolarHBondContact O-N 3.31Å
271K96.6Very high90.6Very high112 Ų11256.5 Ų56.549%0.48730%0.301SS..EExtended strand (participates in β ladder)trans-111.1122.5175.8-64.6169.9-173.5166.10109.7D208 V259 F273D208-K271 PolarHBondContact N-O 3.3Å; D208-K271 PolarHBondContact OD2-N 3.06Å; V259-K271 WeakPolarHBondContact O-CA 3.37Å; K271-F273 HydrophobicContact CB-CE2 3.95Å
272F96.9Very high89.6Confident0 Ų057.5 Ų57.50%031%0.305CS..EExtended strand (participates in β ladder)trans-117.4145.2-176.8-53.1-74.8000110.4D208 K211 L212 F242 R258 V259 A261 T267 F274D208-F272 HydrophobicContact CB-CE1 4.09Å; D208-F272 HydrophobicContact CB-CZ 4.3Å; D208-F272 WeakPolarHBondContact O-CE1 3.26Å; K211-F272 HydrophobicContact CB-CE1 4.22Å; K211-F272 HydrophobicContact CB-CZ 4.27Å; L212-F272 HydrophobicContact CD1-CB 4.39Å; L212-F272 HydrophobicContact CD1-CD1 3.43Å; L212-F272 VanDerWaalsContact CD1-CD1 3.43Å; L212-F272 HydrophobicContact CD1-CE1 3.94Å; L212-F272 HydrophobicContact CD1-CG 4.03Å; L212-F272 HydrophobicContact CD2-CE1 4.45Å; L212-F272 HydrophobicContact CG-CD1 3.75Å; L212-F272 HydrophobicContact CG-CE1 3.7Å; L212-F272 HydrophobicContact CG-CZ 4.44Å; F242-F272 AromaticContact CE1-CD2 3.75Å; F242-F272 HydrophobicContact CE1-CD2 3.75Å; F242-F272 AromaticContact CE1-CE2 3.63Å; F242-F272 HydrophobicContact CE1-CE2 3.63Å; F242-F272 AromaticContact CZ-CD2 3.53Å; F242-F272 HydrophobicContact CZ-CD2 3.53Å; F242-F272 AromaticContact CZ-CE2 3.8Å; F242-F272 HydrophobicContact CZ-CE2 3.8Å; F242-F272 HydrophobicContact CZ-CG 4.14Å; R258-F272 WeakPolarHBondContact CA-O 3.37Å; V259-F272 PolarHBondContact N-O 2.6Å; V259-F272 PolarHBondContact O-N 3.49Å; A261-F272 HydrophobicContact CB-CD2 4.3Å; A261-F272 HydrophobicContact CB-CE2 3.83Å; T267-F272 HydrophobicContact CG2-CE1 4.45Å; T267-F272 HydrophobicContact CG2-CE2 4.12Å; T267-F272 HydrophobicContact CG2-CZ 3.75Å; F272-F274 HydrophobicContact CB-CD2 4.38Å; F272-F274 HydrophobicContact CB-CE2 3.56Å; F272-F274 HydrophobicContact CB-CZ 3.84Å
273F96.4Very high89.2Confident38 Ų3859.8 Ų59.817%0.16732%0.319CS..EExtended strand (participates in β ladder)trans-131.5113.9-171.8-66.1-100.6000107.8E204 A206 V256 R258 K271E204-F273 HydrophobicContact CB-CB 4.05Å; E204-F273 HydrophobicContact CG-CB 4.47Å; E204-F273 PolarHBondContact N-O 3.37Å; A206-F273 HydrophobicContact CB-CB 4.37Å; A206-F273 HydrophobicContact CB-CD2 3.82Å; A206-F273 HydrophobicContact CB-CE2 4.25Å; A206-F273 HydrophobicContact CB-CG 4.04Å; A206-F273 WeakPolarHBondContact O-CD2 3.38Å; V256-F273 HydrophobicContact CG1-CB 3.98Å; V256-F273 HydrophobicContact CG1-CD1 4.26Å; R258-F273 HydrophobicContact CB-CD1 4.5Å; R258-F273 HydrophobicContact CB-CE1 4.5Å; R258-F273 HydrophobicContact CG-CD1 3.83Å; R258-F273 HydrophobicContact CG-CE1 3.91Å; K271-F273 HydrophobicContact CB-CE2 3.95Å
274F96.2Very high88.9Confident0 Ų050.7 Ų50.70%029%0.285CS..EExtended strand (participates in β ladder)trans-119.6110.7-175.1-58.3-83.4000109.1A201 L203 L212 L221 V230 F242 V256 L257 V259 F272 C276A201-F274 HydrophobicContact CB-CB 4.23Å; L203-F274 HydrophobicContact CB-CD1 4.44Å; L203-F274 HydrophobicContact CD1-CD1 4.18Å; L203-F274 HydrophobicContact CD1-CE1 3.92Å; L203-F274 HydrophobicContact CD1-CZ 4.44Å; L212-F274 HydrophobicContact CD1-CE1 3.99Å; L212-F274 HydrophobicContact CD1-CZ 3.81Å; L221-F274 HydrophobicContact CD1-CB 3.99Å; L221-F274 HydrophobicContact CD1-CD1 4.46Å; L221-F274 HydrophobicContact CD1-CD2 4.36Å; L221-F274 HydrophobicContact CD1-CG 4.05Å; L221-F274 HydrophobicContact CD2-CD1 4.04Å; L221-F274 HydrophobicContact CD2-CE1 4Å; L221-F274 HydrophobicContact CD2-CG 4.31Å; L221-F274 HydrophobicContact CD2-CZ 4.25Å; V230-F274 HydrophobicContact CG1-CE1 4.33Å; V230-F274 HydrophobicContact CG2-CE1 4.22Å; V230-F274 HydrophobicContact CG2-CZ 3.88Å; F242-F274 HydrophobicContact CE2-CE2 4.43Å; F242-F274 HydrophobicContact CE2-CZ 4.29Å; V256-F274 CarbonylContact C-O 3.53Å; V256-F274 WeakPolarHBondContact CA-O 3.29Å; L257-F274 HydrophobicContact CB-CB 4.4Å; L257-F274 PolarHBondContact N-O 2.97Å; L257-F274 PolarHBondContact O-N 3.23Å; V259-F274 HydrophobicContact CG2-CD2 4.31Å; V259-F274 HydrophobicContact CG2-CE2 4.17Å; F272-F274 HydrophobicContact CB-CD2 4.38Å; F272-F274 HydrophobicContact CB-CE2 3.56Å; F272-F274 HydrophobicContact CB-CZ 3.84Å; F274-C276 PolarHBondContact O-N 3.25Å; F274-C276 VanDerWaalsContact O-N 3.16Å; F274-C276 PolarHBondContact O-SG 3.27Å
275R94.2Very high88.7Confident111 Ų11145.6 Ų45.642%0.41927%0.273SS..EExtended strand (participates in β ladder)trans-77.4101.5170.9-166.5165.666-1081.2107.9A201 L202 E204 V256A201-R275 WeakPolarHBondContact CA-O 3.3Å; L202-R275 PolarHBondContact N-O 2.92Å; L202-R275 PolarHBondContact O-N 3.06Å; E204-R275 HydrophobicContact CG-CB 4.18Å; E204-R275 IonicContact OE1-CZ 2.67Å; E204-R275 IonicContact OE1-NH1 3.17Å; E204-R275 PolarHBondContact OE1-NH1 2.99Å; V256-R275 HydrophobicContact CG2-CB 4.24Å; V256-R275 HydrophobicContact CG2-CG 4.26Å
276C91.7Very high88.5Confident9 Ų945.8 Ų45.86%0.06128%0.275CS..EExtended strand (participates in β ladder)trans-92141.4-169.8-59.50000110.4I199 G255 F274 P278 V284 L287I199-C276 HydrophobicContact CG2-CB 4.45Å; G255-C276 PolarHBondContact O-N 3.17Å; F274-C276 PolarHBondContact O-N 3.25Å; F274-C276 VanDerWaalsContact O-N 3.16Å; F274-C276 PolarHBondContact O-SG 3.27Å; C276-P278 VanDerWaalsContact O-CD 3.25Å; C276-P278 WeakPolarHBondContact O-CD 3.41Å; C276-V284 HydrophobicContact CB-CG1 4.21Å; C276-V284 HydrophobicContact CB-CG2 3.98Å; C276-L287 HydrophobicContact CB-CD2 4.31Å
277S87.4Confident88.5Confident80 Ų8043.2 Ų43.256%0.55926%0.257SS*.  trans-116.976.6172.6-61.20000110.6P200P200-S277 WeakPolarHBondContact CD-O 3.47Å; P200-S277 PolarHBondContact O-N 2.99Å
278P83.1Confident88.5Confident16 Ų1642.8 Ų42.810%0.10425%0.254CS..  trans-44.1122.3174.2-37.542.6000114.1Y193 C276 N280 G281 Q282 V284Y193-P278 WeakPolarHBondContact OH-CB 3.46Å; C276-P278 VanDerWaalsContact O-CD 3.25Å; C276-P278 WeakPolarHBondContact O-CD 3.41Å; P278-N280 PolarHBondContact O-N 3.46Å; P278-N280 VanDerWaalsContact O-N 3.09Å; P278-G281 PolarHBondContact O-N 2.87Å; P278-Q282 HydrophobicContact CB-CB 4.2Å; P278-Q282 WeakPolarHBondContact CB-O 3.44Å; P278-Q282 VanDerWaalsContact CG-O 3.31Å; P278-Q282 WeakPolarHBondContact CG-O 3.32Å; P278-V284 HydrophobicContact CG-CG2 4.33Å
279P73.4Confident88.5Confident85 Ų8545.7 Ų45.755%0.55227%0.267SS*.THydrogen-bonded Turntrans-64.1-22.5-173.925.2-34.9000113.4
280N69.2Low88.4Confident98 Ų9844.7 Ų44.752%0.52426%0.26SS..THydrogen-bonded Turntrans-90.85.1177.4-71.9-20.6000113.8P278 Q282P278-N280 PolarHBondContact O-N 3.46Å; P278-N280 VanDerWaalsContact O-N 3.09Å; N280-Q282 HydrophobicContact CB-CG 4.1Å; N280-Q282 PolarHBondContact O-N 2.96Å
281G72.8Confident88.3Confident69 Ų6944.5 Ų44.571%0.71126%0.259SS*.  trans72.111.9-177.200000114.7P278P278-G281 PolarHBondContact O-N 2.87Å
282Q77.1Confident88.3Confident20 Ų2045.6 Ų45.69%0.09326%0.26CS..  trans-66149.3178.2-59.5-175.1-4.500111.5Y190 E191 Y193 P278 N280 A286Y190-Q282 HydrophobicContact CD1-CB 4.23Å; Y190-Q282 HydrophobicContact CD1-CG 3.76Å; Y190-Q282 HydrophobicContact CE1-CB 4.34Å; Y190-Q282 HydrophobicContact CE1-CG 4.24Å; E191-Q282 PolarHBondContact O-NE2 3.04Å; Y193-Q282 PolarHBondContact OH-OE1 3.46Å; P278-Q282 HydrophobicContact CB-CB 4.2Å; P278-Q282 WeakPolarHBondContact CB-O 3.44Å; P278-Q282 VanDerWaalsContact CG-O 3.31Å; P278-Q282 WeakPolarHBondContact CG-O 3.32Å; N280-Q282 HydrophobicContact CB-CG 4.1Å; N280-Q282 PolarHBondContact O-N 2.96Å; Q282-A286 HydrophobicContact CB-CB 4.23Å
283P85.9Confident88.2Confident58 Ų5851.2 Ų51.238%0.37729%0.286SS..  trans-65.5149169.429-34.8000111Y190 D285 A286Y190-P283 HydrophobicContact CE1-CG 4.32Å; P283-D285 PolarHBondContact O-N 3.26Å; P283-D285 VanDerWaalsContact O-N 3.1Å; P283-A286 HydrophobicContact CG-CB 4.49Å; P283-A286 VanDerWaalsContact O-CB 3.28Å; P283-A286 WeakPolarHBondContact O-CB 3.38Å; P283-A286 PolarHBondContact O-N 2.78Å
284V90.3Very high88.1Confident9 Ų950.5 Ų50.56%0.05528%0.283CS..Hα-helixtrans-65.3-16.9-179.6-175.60000112.3A252 L257 C276 P278 A286 L287 V288A252-V284 HydrophobicContact CB-CB 4.25Å; A252-V284 HydrophobicContact CB-CG1 4.03Å; L257-V284 HydrophobicContact CB-CG1 3.9Å; C276-V284 HydrophobicContact CB-CG1 4.21Å; C276-V284 HydrophobicContact CB-CG2 3.98Å; P278-V284 HydrophobicContact CG-CG2 4.33Å; V284-A286 VanDerWaalsContact C-N 3.3Å; V284-A286 PolarHBondContact O-N 3.14Å; V284-L287 HydrophobicContact CG1-CD2 4.45Å; V284-L287 WeakPolarHBondContact O-CB 3.17Å; V284-L287 PolarHBondContact O-N 3.12Å; V284-V288 PolarHBondContact O-N 2.98Å
285D90.6Very high88Confident90 Ų9051.3 Ų51.348%0.48129%0.29SS..Hα-helixtrans-65.9-25.5168.5-68-81.9000114.1P283 V288 T289P283-D285 PolarHBondContact O-N 3.26Å; P283-D285 VanDerWaalsContact O-N 3.1Å; D285-V288 PolarHBondContact O-N 3.2Å; D285-T289 WeakPolarHBondContact O-CB 3.4Å; D285-T289 PolarHBondContact O-N 3.09Å; D285-T289 PolarHBondContact O-OG1 3.42Å
286A88.9Confident88Confident13 Ų1350 Ų5011%0.10729%0.291CS..Hα-helixtrans-67.1-44.8170.400000110.7Y190 Q282 P283 V284 V288 T289 Q290Y190-A286 HydrophobicContact CD1-CB 4.35Å; Y190-A286 HydrophobicContact CD2-CB 4.27Å; Y190-A286 HydrophobicContact CG-CB 4.15Å; Q282-A286 HydrophobicContact CB-CB 4.23Å; P283-A286 HydrophobicContact CG-CB 4.49Å; P283-A286 VanDerWaalsContact O-CB 3.28Å; P283-A286 WeakPolarHBondContact O-CB 3.38Å; P283-A286 PolarHBondContact O-N 2.78Å; V284-A286 VanDerWaalsContact C-N 3.3Å; V284-A286 PolarHBondContact O-N 3.14Å; A286-V288 PolarHBondContact O-N 3.01Å; A286-T289 WeakPolarHBondContact O-CB 3.49Å; A286-T289 PolarHBondContact O-N 3.38Å; A286-T289 VanDerWaalsContact O-N 3.09Å; A286-Q290 PolarHBondContact O-N 2.93Å
287L91.4Very high88Confident0 Ų053.1 Ų53.10%031%0.305CS..Hα-helixtrans-58.7-44.4172.8171.654.6000111.5Y193 I199 L223 L257 C276 V284 T289 Q290 I291Y193-L287 HydrophobicContact CD2-CD1 4.45Å; Y193-L287 HydrophobicContact CE2-CB 4.28Å; Y193-L287 HydrophobicContact CE2-CD1 4.48Å; I199-L287 HydrophobicContact CD1-CD1 3.61Å; I199-L287 HydrophobicContact CD1-CD2 3.98Å; I199-L287 HydrophobicContact CD1-CG 4.37Å; I199-L287 HydrophobicContact CG2-CD2 4.44Å; L223-L287 HydrophobicContact CD1-CD1 3.57Å; L223-L287 HydrophobicContact CD2-CD1 4.05Å; L223-L287 HydrophobicContact CG-CD1 3.98Å; L257-L287 HydrophobicContact CD2-CD2 4.02Å; L257-L287 HydrophobicContact CD2-CG 4.38Å; C276-L287 HydrophobicContact CB-CD2 4.31Å; V284-L287 HydrophobicContact CG1-CD2 4.45Å; V284-L287 WeakPolarHBondContact O-CB 3.17Å; V284-L287 PolarHBondContact O-N 3.12Å; L287-T289 VanDerWaalsContact C-N 3.31Å; L287-T289 PolarHBondContact O-N 2.96Å; L287-Q290 PolarHBondContact O-N 3.38Å; L287-I291 HydrophobicContact CD1-CD1 3.94Å; L287-I291 HydrophobicContact CD1-CG1 4.23Å; L287-I291 HydrophobicContact CG-CD1 4.09Å; L287-I291 VanDerWaalsContact O-CG1 3.29Å; L287-I291 WeakPolarHBondContact O-CG1 3.44Å; L287-I291 PolarHBondContact O-N 2.85Å
288V93.5Very high88.2Confident7 Ų749.4 Ų49.44%0.04228%0.279CS..Hα-helixtrans-61.5-38.4173167.80000112.5F250 A252 L257 V284 D285 A286 I291 R292F250-V288 HydrophobicContact CD2-CG1 4.13Å; F250-V288 HydrophobicContact CE2-CG1 4.2Å; A252-V288 HydrophobicContact CB-CG2 3.71Å; L257-V288 HydrophobicContact CD1-CG2 3.54Å; V284-V288 PolarHBondContact O-N 2.98Å; D285-V288 PolarHBondContact O-N 3.2Å; A286-V288 PolarHBondContact O-N 3.01Å; V288-I291 PolarHBondContact O-N 3.23Å; V288-R292 WeakPolarHBondContact O-CB 3.24Å; V288-R292 PolarHBondContact O-N 2.79Å
289T92.8Very high88.7Confident88 Ų8854.4 Ų54.454%0.5430%0.299SS..Hα-helixtrans-66.9-39.4178.4-62.10000111.1D285 A286 L287 R292 Q293D285-T289 WeakPolarHBondContact O-CB 3.4Å; D285-T289 PolarHBondContact O-N 3.09Å; D285-T289 PolarHBondContact O-OG1 3.42Å; A286-T289 WeakPolarHBondContact O-CB 3.49Å; A286-T289 PolarHBondContact O-N 3.38Å; A286-T289 VanDerWaalsContact O-N 3.09Å; L287-T289 VanDerWaalsContact C-N 3.31Å; L287-T289 PolarHBondContact O-N 2.96Å; T289-R292 WeakPolarHBondContact O-CB 3.31Å; T289-R292 PolarHBondContact O-N 3.14Å; T289-Q293 PolarHBondContact O-N 3.36Å
290Q91.8Very high89.5Confident31 Ų3156.6 Ų56.615%0.14530%0.302CS..Hα-helixtrans-71-41.4174.5-170.8169.5-1300113Y193 L223 A286 L287 R292 Q293 L294Y193-Q290 VanDerWaalsContact CD2-OE1 3.25Å; Y193-Q290 PolarHBondContact O-NE2 2.79Å; L223-Q290 HydrophobicContact CD1-CB 4.19Å; L223-Q290 HydrophobicContact CD1-CG 3.91Å; A286-Q290 PolarHBondContact O-N 2.93Å; L287-Q290 PolarHBondContact O-N 3.38Å; Q290-R292 PolarHBondContact O-N 3.01Å; Q290-Q293 PolarHBondContact O-N 3.49Å; Q290-Q293 VanDerWaalsContact O-N 3.08Å; Q290-L294 HydrophobicContact CG-CD1 4Å; Q290-L294 HydrophobicContact CG-CG 4.36Å; Q290-L294 WeakPolarHBondContact O-CG 3.44Å; Q290-L294 PolarHBondContact O-N 2.76Å
291I94.9Very high90.4Very high1 Ų155.7 Ų55.71%0.00529%0.291CS..Hα-helixtrans-55.9-41.3171.4-68.5164000110.2L223 Y244 F250 L257 L287 V288 A295L223-I291 HydrophobicContact CD2-CD1 4.22Å; L223-I291 HydrophobicContact CD2-CG1 3.47Å; L223-I291 VanDerWaalsContact CD2-CG1 3.47Å; Y244-I291 HydrophobicContact CD1-CG2 4.15Å; Y244-I291 HydrophobicContact CE1-CG2 4.19Å; F250-I291 HydrophobicContact CD1-CG2 4.26Å; F250-I291 HydrophobicContact CD2-CB 4.27Å; F250-I291 HydrophobicContact CD2-CG2 3.7Å; F250-I291 HydrophobicContact CE1-CG2 4.21Å; F250-I291 HydrophobicContact CE2-CB 4.09Å; F250-I291 HydrophobicContact CE2-CG2 3.65Å; F250-I291 HydrophobicContact CG-CG2 4.03Å; F250-I291 HydrophobicContact CZ-CG2 3.93Å; L257-I291 HydrophobicContact CD1-CD1 4.01Å; L257-I291 HydrophobicContact CD2-CD1 3.99Å; L287-I291 HydrophobicContact CD1-CD1 3.94Å; L287-I291 HydrophobicContact CD1-CG1 4.23Å; L287-I291 HydrophobicContact CG-CD1 4.09Å; L287-I291 VanDerWaalsContact O-CG1 3.29Å; L287-I291 WeakPolarHBondContact O-CG1 3.44Å; L287-I291 PolarHBondContact O-N 2.85Å; V288-I291 PolarHBondContact O-N 3.23Å; I291-A295 WeakPolarHBondContact O-CB 3.35Å; I291-A295 PolarHBondContact O-N 2.96Å
292R95.5Very high91.1Very high135 Ų13555.1 Ų55.151%0.50927%0.274SS..Hα-helixtrans-62.5-43.5175.1-176.2-173-59.7-89-2.1112.4F250 V288 T289 Q290 L296F250-R292 HydrophobicContact CE2-CB 4.01Å; F250-R292 HydrophobicContact CZ-CB 3.99Å; V288-R292 WeakPolarHBondContact O-CB 3.24Å; V288-R292 PolarHBondContact O-N 2.79Å; T289-R292 WeakPolarHBondContact O-CB 3.31Å; T289-R292 PolarHBondContact O-N 3.14Å; Q290-R292 PolarHBondContact O-N 3.01Å; R292-L296 HydrophobicContact CG-CD1 4.29Å; R292-L296 WeakPolarHBondContact O-CB 3.49Å; R292-L296 VanDerWaalsContact O-CG 3.29Å; R292-L296 WeakPolarHBondContact O-CG 3.29Å; R292-L296 PolarHBondContact O-N 2.85Å
293Q94.2Very high91.7Very high117 Ų11760.6 Ų60.655%0.54730%0.297SS..Hα-helixtrans-65.3-48178.8-178.359.213.500111.7T289 Q290 A295 L296 E297T289-Q293 PolarHBondContact O-N 3.36Å; Q290-Q293 PolarHBondContact O-N 3.49Å; Q290-Q293 VanDerWaalsContact O-N 3.08Å; Q293-A295 VanDerWaalsContact C-N 3.33Å; Q293-A295 PolarHBondContact O-N 2.92Å; Q293-L296 PolarHBondContact O-N 2.85Å; Q293-E297 PolarHBondContact O-N 3.46Å
294L95Very high91.6Very high23 Ų2367 Ų6712%0.1231%0.314CS..Hα-helixtrans-63.2-38.5177.6-65.8167.8000111.9L223 Y244 Q290 E297 A298L223-L294 HydrophobicContact CB-CD1 4.12Å; L223-L294 HydrophobicContact CD1-CD1 4.47Å; L223-L294 HydrophobicContact CD2-CD1 4.42Å; Y244-L294 HydrophobicContact CD2-CB 3.98Å; Y244-L294 HydrophobicContact CE2-CB 3.53Å; Y244-L294 HydrophobicContact CE2-CD1 4.24Å; Y244-L294 HydrophobicContact CE2-CG 4.44Å; Y244-L294 WeakPolarHBondContact OH-CD1 3.43Å; Q290-L294 HydrophobicContact CG-CD1 4Å; Q290-L294 HydrophobicContact CG-CG 4.36Å; Q290-L294 WeakPolarHBondContact O-CG 3.44Å; Q290-L294 PolarHBondContact O-N 2.76Å; L294-E297 PolarHBondContact O-N 2.86Å; L294-A298 WeakPolarHBondContact O-CB 3.27Å; L294-A298 PolarHBondContact O-N 2.92Å
295A94.1Very high91.2Very high17 Ų1769.7 Ų69.714%0.1433%0.333CS..Hα-helixtrans-64.2-38.3173.600000113.2Y244 I291 Q293 K299Y244-A295 HydrophobicContact CG-CB 4.31Å; I291-A295 WeakPolarHBondContact O-CB 3.35Å; I291-A295 PolarHBondContact O-N 2.96Å; Q293-A295 VanDerWaalsContact C-N 3.33Å; Q293-A295 PolarHBondContact O-N 2.92Å; A295-K299 VanDerWaalsContact O-CB 3.3Å; A295-K299 WeakPolarHBondContact O-CB 3.19Å; A295-K299 PolarHBondContact O-N 3.32Å
296L94.2Very high90.7Very high83 Ų8371.6 Ų71.644%0.43534%0.339SS..Hα-helixtrans-68-41.3174-74.5170.5000111.3R292 Q293 K299 Q300R292-L296 HydrophobicContact CG-CD1 4.29Å; R292-L296 WeakPolarHBondContact O-CB 3.49Å; R292-L296 VanDerWaalsContact O-CG 3.29Å; R292-L296 WeakPolarHBondContact O-CG 3.29Å; R292-L296 PolarHBondContact O-N 2.85Å; Q293-L296 PolarHBondContact O-N 2.85Å; L296-K299 WeakPolarHBondContact O-CB 3.43Å; L296-K299 PolarHBondContact O-N 2.83Å; L296-Q300 WeakPolarHBondContact O-CG 3.43Å; L296-Q300 PolarHBondContact O-N 3.27Å
297E92.6Very high90.1Very high75 Ų7576.2 Ų76.235%0.3536%0.362SS..Hα-helixtrans-67.3-49.1179.4-153.9-153.7130.700111.7Q293 L294 K299 Q300 R301Q293-E297 PolarHBondContact O-N 3.46Å; L294-E297 PolarHBondContact O-N 2.86Å; E297-K299 PolarHBondContact O-N 2.82Å; E297-K299 VanDerWaalsContact O-N 3.16Å; E297-Q300 CarbonylContact O-C 3.4Å; E297-Q300 WeakPolarHBondContact O-CA 3.43Å; E297-Q300 WeakPolarHBondContact O-CB 3.42Å; E297-Q300 PolarHBondContact O-N 3.31Å; E297-R301 WeakPolarHBondContact O-CG 3.48Å; E297-R301 PolarHBondContact O-N 2.81Å; E297-R301 IonicContact OE1-CZ 3.81Å; E297-R301 IonicContact OE1-NE 2.94Å; E297-R301 PolarHBondContact OE1-NE 2.92Å; E297-R301 IonicContact OE1-NH2 3.52Å; E297-R301 PolarHBondContact OE1-NH2 2.7Å; E297-R301 IonicContact OE2-NH2 2.75Å; E297-R301 PolarHBondContact OE2-NH2 2.68Å
298A91.3Very high89.2Confident2 Ų279.7 Ų79.72%0.01738%0.383CS..Hα-helixtrans-55.5-35.4174.600000112.1L245 L294 T302L245-A298 HydrophobicContact CD2-CB 4.37Å; L245-A298 HydrophobicContact CG-CB 4.4Å; L294-A298 WeakPolarHBondContact O-CB 3.27Å; L294-A298 PolarHBondContact O-N 2.92Å; A298-T302 WeakPolarHBondContact O-CB 3.38Å; A298-T302 PolarHBondContact O-N 3.42Å; A298-T302 PolarHBondContact O-OG1 3.09Å
299K92.3Very high88.1Confident121 Ų12184.3 Ų84.353%0.52641%0.407SS..Hα-helixtrans-70.1-32.9174.1-170.6174.9-174.1173.70112.7L245 A295 L296 E297 K303L245-K299 HydrophobicContact CD2-CB 3.88Å; L245-K299 HydrophobicContact CD2-CG 4.48Å; A295-K299 VanDerWaalsContact O-CB 3.3Å; A295-K299 WeakPolarHBondContact O-CB 3.19Å; A295-K299 PolarHBondContact O-N 3.32Å; L296-K299 WeakPolarHBondContact O-CB 3.43Å; L296-K299 PolarHBondContact O-N 2.83Å; E297-K299 PolarHBondContact O-N 2.82Å; E297-K299 VanDerWaalsContact O-N 3.16Å; K299-K303 WeakPolarHBondContact O-CG 3.18Å; K299-K303 PolarHBondContact O-N 3.45Å
300Q91.6Very high87Confident132 Ų13282.4 Ų82.462%0.61740%0.397SS*.Hα-helixtrans-72.3-45.5171.3-69.3179.827.200112L296 E297 T302 K303 R304L296-Q300 WeakPolarHBondContact O-CG 3.43Å; L296-Q300 PolarHBondContact O-N 3.27Å; E297-Q300 CarbonylContact O-C 3.4Å; E297-Q300 WeakPolarHBondContact O-CA 3.43Å; E297-Q300 WeakPolarHBondContact O-CB 3.42Å; E297-Q300 PolarHBondContact O-N 3.31Å; Q300-T302 VanDerWaalsContact C-N 3.29Å; Q300-T302 PolarHBondContact O-N 3.28Å; Q300-K303 PolarHBondContact O-N 2.77Å; Q300-K303 VanDerWaalsContact O-N 3.15Å; Q300-R304 PolarHBondContact O-N 2.86Å
301R88.5Confident85.5Confident78 Ų7885.2 Ų85.229%0.29441%0.413SS..Hα-helixtrans-53.9-47.1173.8-62.7-176.8-151.2129.61110.7A225 D226 E297 K303 R304 S305A225-R301 PolarHBondContact O-NH1 3.01Å; A225-R301 PolarHBondContact O-NH2 3.36Å; D226-R301 IonicContact OD1-CZ 2.8Å; D226-R301 IonicContact OD1-NH1 2.7Å; D226-R301 PolarHBondContact OD1-NH1 3.01Å; D226-R301 IonicContact OD2-NH1 3.03Å; E297-R301 WeakPolarHBondContact O-CG 3.48Å; E297-R301 PolarHBondContact O-N 2.81Å; E297-R301 IonicContact OE1-CZ 3.81Å; E297-R301 IonicContact OE1-NE 2.94Å; E297-R301 PolarHBondContact OE1-NE 2.92Å; E297-R301 IonicContact OE1-NH2 3.52Å; E297-R301 PolarHBondContact OE1-NH2 2.7Å; E297-R301 IonicContact OE2-NH2 2.75Å; E297-R301 PolarHBondContact OE2-NH2 2.68Å; R301-K303 PolarHBondContact O-N 3.03Å; R301-R304 PolarHBondContact O-N 2.95Å; R301-S305 WeakPolarHBondContact O-CB 3.49Å; R301-S305 PolarHBondContact O-N 2.9Å
302T87.6Confident83.7Confident58 Ų5890.4 Ų90.436%0.35644%0.44SS..Hα-helixtrans-59.9-46.1176.5-57.20000112.5L245 A298 Q300 S305 Q306L245-T302 WeakPolarHBondContact CD1-OG1 3.29Å; A298-T302 WeakPolarHBondContact O-CB 3.38Å; A298-T302 PolarHBondContact O-N 3.42Å; A298-T302 PolarHBondContact O-OG1 3.09Å; Q300-T302 VanDerWaalsContact C-N 3.29Å; Q300-T302 PolarHBondContact O-N 3.28Å; T302-S305 PolarHBondContact O-N 3.03Å; T302-Q306 PolarHBondContact O-N 3.31Å
303K87.7Confident81.8Confident134 Ų13490 Ų9058%0.58344%0.444SS*.Hα-helixtrans-62.6-44176.2-79.9-178171.6-167.10112.5K299 Q300 R301 Q306 L307K299-K303 WeakPolarHBondContact O-CG 3.18Å; K299-K303 PolarHBondContact O-N 3.45Å; Q300-K303 PolarHBondContact O-N 2.77Å; Q300-K303 VanDerWaalsContact O-N 3.15Å; R301-K303 PolarHBondContact O-N 3.03Å; K303-Q306 PolarHBondContact O-N 3.18Å; K303-L307 WeakPolarHBondContact O-CG 3.17Å; K303-L307 PolarHBondContact O-N 3.4Å
304R85.6Confident79.8Confident194 Ų19489.6 Ų89.673%0.73245%0.445SS*.Hα-helixtrans-62.5-44.2178.3-175.5174.3177.4137.4-1.3110.9Q300 R301 L307 T308Q300-R304 PolarHBondContact O-N 2.86Å; R301-R304 PolarHBondContact O-N 2.95Å; R304-L307 PolarHBondContact O-N 3.05Å; R304-T308 PolarHBondContact O-N 3.06Å; R304-T308 PolarHBondContact O-OG1 3.41Å
305S80.5Confident77.6Confident64 Ų6495 Ų9545%0.44847%0.47SS..Hα-helixtrans-57.9-47.5174178.50000112.1R301 T302 L307 T308 L309R301-S305 WeakPolarHBondContact O-CB 3.49Å; R301-S305 PolarHBondContact O-N 2.9Å; T302-S305 PolarHBondContact O-N 3.03Å; S305-L307 PolarHBondContact O-N 3.06Å; S305-T308 PolarHBondContact O-N 3.25Å; S305-L309 WeakPolarHBondContact O-CB 3.29Å; S305-L309 WeakPolarHBondContact O-CG 3.33Å; S305-L309 PolarHBondContact O-N 3.06Å
306Q80.7Confident75.5Confident130 Ų13097.1 Ų97.161%0.60749%0.487SS*.Hα-helixtrans-61.1-39.5176.1-74.2-174.92.400113.3T302 K303 L309 S310T302-Q306 PolarHBondContact O-N 3.31Å; K303-Q306 PolarHBondContact O-N 3.18Å; Q306-L309 PolarHBondContact O-N 3.08Å; Q306-S310 PolarHBondContact O-N 3.06Å; Q306-S310 PolarHBondContact O-OG 2.78Å
307L75.6Confident73.4Confident111 Ų11197.7 Ų97.758%0.58149%0.49SS*.Hα-helixtrans-65.7-42.4175.5-71.1169.2000112.1K303 R304 S305 S310 N311K303-L307 WeakPolarHBondContact O-CG 3.17Å; K303-L307 PolarHBondContact O-N 3.4Å; R304-L307 PolarHBondContact O-N 3.05Å; S305-L307 PolarHBondContact O-N 3.06Å; L307-S310 WeakPolarHBondContact CA-OG 3.37Å; L307-S310 PolarHBondContact O-N 3.48Å; L307-S310 PolarHBondContact O-OG 2.97Å; L307-N311 VanDerWaalsContact O-CG 3.29Å; L307-N311 PolarHBondContact O-N 2.59Å
308T73.8Confident71.2Confident72 Ų7299.8 Ų99.844%0.44250%0.504SS..Hα-helixtrans-62-44.4174.3-63.90000111.4R304 S305 N311 L312R304-T308 PolarHBondContact O-N 3.06Å; R304-T308 PolarHBondContact O-OG1 3.41Å; S305-T308 PolarHBondContact O-N 3.25Å; T308-N311 PolarHBondContact O-N 3.16Å; T308-L312 HydrophobicContact CG2-CD1 4.17Å; T308-L312 WeakPolarHBondContact O-CD1 3.43Å; T308-L312 PolarHBondContact O-N 2.57Å
309L69.8Low68.8Low104 Ų104106.3 Ų106.355%0.54554%0.539SS..Hα-helixtrans-61.7-45.9175.7-71.7170000111.7S305 Q306 N311 L312 E313S305-L309 WeakPolarHBondContact O-CB 3.29Å; S305-L309 WeakPolarHBondContact O-CG 3.33Å; S305-L309 PolarHBondContact O-N 3.06Å; Q306-L309 PolarHBondContact O-N 3.08Å; L309-N311 VanDerWaalsContact C-N 3.28Å; L309-N311 PolarHBondContact O-N 3.09Å; L309-L312 PolarHBondContact O-N 3.5Å; L309-E313 WeakPolarHBondContact O-CB 3.48Å; L309-E313 PolarHBondContact O-N 3.3Å
310S69.3Low66.3Low49 Ų49106 Ų10634%0.34355%0.547SS..Hα-helixtrans-63.7-32.4177.158.20000113.1Q306 L307 L314Q306-S310 PolarHBondContact O-N 3.06Å; Q306-S310 PolarHBondContact O-OG 2.78Å; L307-S310 WeakPolarHBondContact CA-OG 3.37Å; L307-S310 PolarHBondContact O-N 3.48Å; L307-S310 PolarHBondContact O-OG 2.97Å; S310-L314 WeakPolarHBondContact O-CB 3.26Å; S310-L314 VanDerWaalsContact O-CG 3.25Å; S310-L314 WeakPolarHBondContact O-CG 3.22Å; S310-L314 PolarHBondContact O-N 2.81Å
311N60.2Low63.5Low89 Ų89105.1 Ų105.148%0.47655%0.551SS.*Hα-helixtrans-70.8-41.5174.4-71.9-14.4000111.6L307 T308 L309 E313 L314 H315L307-N311 VanDerWaalsContact O-CG 3.29Å; L307-N311 PolarHBondContact O-N 2.59Å; T308-N311 PolarHBondContact O-N 3.16Å; L309-N311 VanDerWaalsContact C-N 3.28Å; L309-N311 PolarHBondContact O-N 3.09Å; N311-E313 VanDerWaalsContact C-N 3.34Å; N311-L314 PolarHBondContact O-N 2.99Å; N311-H315 PolarHBondContact O-CD2 2.87Å; N311-H315 PolarHBondContact O-N 2.93Å
312L57.9Low60.9Low111 Ų111107.2 Ų107.258%0.58157%0.572SS**Hα-helixtrans-62.8-40.2173.4-96.768.6000111.7T308 L309 H315 A316T308-L312 HydrophobicContact CG2-CD1 4.17Å; T308-L312 WeakPolarHBondContact O-CD1 3.43Å; T308-L312 PolarHBondContact O-N 2.57Å; L309-L312 PolarHBondContact O-N 3.5Å; L312-H315 PolarHBondContact O-N 2.91Å; L312-A316 WeakPolarHBondContact O-CB 3.41Å; L312-A316 PolarHBondContact O-N 3.08Å
313E55.6Low58.4Low127 Ų127110.9 Ų110.959%0.59360%0.595SS**Hα-helixtrans-67.7-35.3178.1-165.2171.9170.600112L309 N311 N317L309-E313 WeakPolarHBondContact O-CB 3.48Å; L309-E313 PolarHBondContact O-N 3.3Å; N311-E313 VanDerWaalsContact C-N 3.34Å; E313-N317 WeakPolarHBondContact O-CB 3.45Å; E313-N317 VanDerWaalsContact O-CG 3.29Å; E313-N317 PolarHBondContact O-N 3.38Å; E313-N317 VanDerWaalsContact O-N 3.09Å; E313-N317 PolarHBondContact O-ND2 2.92Å
314L52.2Low55.7Low107 Ų107112 Ų11256%0.5661%0.607SS**Hα-helixtrans-66.4-36170.3-74.7168.5000112.9S310 N311 N318S310-L314 WeakPolarHBondContact O-CB 3.26Å; S310-L314 VanDerWaalsContact O-CG 3.25Å; S310-L314 WeakPolarHBondContact O-CG 3.22Å; S310-L314 PolarHBondContact O-N 2.81Å; N311-L314 PolarHBondContact O-N 2.99Å; L314-N318 PolarHBondContact O-ND2 2.9Å
315H48.3Very low53.4Low138 Ų138109.8 Ų109.864%0.63961%0.61SS**Hα-helixtrans-74.7-35.2174.8-77.6-66.2000112.9N311 L312N311-H315 PolarHBondContact O-CD2 2.87Å; N311-H315 PolarHBondContact O-N 2.93Å; L312-H315 PolarHBondContact O-N 2.91Å
316A51.3Low51.4Low61 Ų61113.3 Ų113.350%0.50462%0.624SS.*Hα-helixtrans-65.1-48176.100000112L312 N318 N319L312-A316 WeakPolarHBondContact O-CB 3.41Å; L312-A316 PolarHBondContact O-N 3.08Å; A316-N318 PolarHBondContact O-N 2.87Å; A316-N319 PolarHBondContact O-N 2.88Å
317N48.4Very low49.3Very low94 Ų94114.3 Ų114.350%0.50363%0.633SS.*Hα-helixtrans-68.8-16.9-176.3-71.4-39.2000114.2E313 T320E313-N317 WeakPolarHBondContact O-CB 3.45Å; E313-N317 VanDerWaalsContact O-CG 3.29Å; E313-N317 PolarHBondContact O-N 3.38Å; E313-N317 VanDerWaalsContact O-N 3.09Å; E313-N317 PolarHBondContact O-ND2 2.92Å; N317-T320 PolarHBondContact O-OG1 3.19Å
318N47.3Very low47.4Very low119 Ų119114.9 Ų114.964%0.63665%0.647SS**Hα-helixtrans-84-15.5177.4-75.5-17.7000113.7L314 A316L314-N318 PolarHBondContact O-ND2 2.9Å; A316-N318 PolarHBondContact O-N 2.87Å
319N41.7Very low45.4Very low139 Ų139114.4 Ų114.474%0.74366%0.656SS**SBendtrans-93.43.2-177.7-76.25.1000114.3A316A316-N319 PolarHBondContact O-N 2.88Å
320T38.6Very low43.9Very low116 Ų116116.4 Ų116.471%0.71267%0.673SS**SBendtrans-107.823.6-17945.90000114N317N317-T320 PolarHBondContact O-OG1 3.19Å
321T32.6Very low42.3Very low113 Ų113121.8 Ų121.869%0.69370%0.697SS**  trans-133.249-172.3-37.60000114
322T33.3Very low41.3Very low121 Ų121123.4 Ų123.474%0.74271%0.712SS**SBendtrans-138.514516733.60000111.7
323T35.6Very low39.9Very low135 Ų135125.4 Ų125.483%0.82872%0.724SS**  trans53.769.3167.857.50000117.4
324N30.8Very low38.7Very low157 Ų157125.7 Ų125.784%0.8473%0.729SS**  trans-83.1124132.4-77.4-24.7000107.3
325N37.9Very low37.8Very low148 Ų148127.9 Ų127.979%0.79174%0.74SS**  trans168.5137.6146.1-88.9-9.1000112
326N38.5Very low36.9Very low139 Ų139127.9 Ų127.974%0.74375%0.745SS**  trans68.3103.8150.8-54.73.9000120.6
327D36.2Very low36Very low150 Ų150133 Ų13380%0.80276%0.758SS**  46.9125.4129.7-80.2-54.5000124.2
328S35.2Very low35.2Very low123 Ų123135.5 Ų135.586%0.8677%0.766SS**  trans71.8149.814578.90000119.5
329G32.6Very low34.6Very low63 Ų63136.4 Ų136.465%0.64977%0.771SS**  trans108.493.9159.700000117.6
330T38.5Very low34.3Very low145 Ų145138.3 Ų138.389%0.8977%0.773SS**  trans46.9113.7140.3500000122
331L34.9Very low33.9Very low162 Ų162138.8 Ų138.885%0.84878%0.775SS**  trans-32.6167.7141.9-69.5164.2000116
332P39.5Very low33.7Very low123 Ų123136.6 Ų136.680%0.79978%0.775SS**  cis-136.4-17616.933.6-10.7000117.4
333N29.6Very low33.8Very low154 Ų154140.3 Ų140.382%0.82478%0.784SS**  trans-63162.3174.8-76.7-37.1000115.9
334N28.9Very low33.4Very low133 Ų133139.2 Ų139.271%0.71178%0.782SS**  trans82.3112.3143.4-147.88.9000118.7
335I34.6Very low33.5Very low153 Ų153139.7 Ų139.779%0.78578%0.784SS**  -169.9146.1109.1-93.7155.7000109.9
336N29.2Very low33.1Very low138 Ų138137.7 Ų137.774%0.73878%0.777SS**  trans-76146.8-175.7-57.9-71.2000113.6
337H32.8Very low32.6Very low169 Ų169137.8 Ų137.878%0.78278%0.777SS**  trans-157.9136.7144.2-93.9-55.7000114
338H31.1Very low32.5Very low145 Ų145136.2 Ų136.267%0.67177%0.773SS**  trans40.6113154.9-75.8-77000120.3
339N35.6Very low32.3Very low138 Ų138136.2 Ų136.274%0.73876%0.764SS**  -162.5141.772.2-86-45.4000111.2
340K33.4Very low32.4Very low180 Ų180141 Ų14178%0.78377%0.774SS**  66127.269-92.5-149.8164.7-163.60113.6
341V31.6Very low32.1Very low125 Ų125140.2 Ų140.276%0.75877%0.765SS**  cis-153.8150.4-6.8171.50000109.2
342G28.6Very low32.4Very low68 Ų68139.2 Ų139.270%0.70176%0.759SS**  trans83.2155.6152.600000117.1
343E34.8Very low32.3Very low199 Ų199140 Ų14093%0.9376%0.757SS**  cis-133.8157.1-5.1-68.6-175.1123.300110.1
344S26.4Very low32.3Very low112 Ų112139.5 Ų139.578%0.78375%0.754SS**  trans-93.3134177.5-175.10000111.1
345L33Very low32.8Very low166 Ų166141.2 Ų141.287%0.86976%0.763SS**  trans-122.3114.5165.1-144163.8000107.7N347L345-N347 PolarHBondContact O-N 3.17Å
346V30.8Very low32.6Very low107 Ų107142 Ų14265%0.64876%0.764SS**  trans-80.8118.3-164.1176.10000111.4T348V346-T348 WeakPolarHBondContact CG1-OG1 3.24Å
347N27Very low33.1Very low140 Ų140143.2 Ų143.275%0.74977%0.769SS**  trans-89.2128.8155.1-79-6.8000109.1L345L345-N347 PolarHBondContact O-N 3.17Å
348T34.1Very low33Very low118 Ų118142.5 Ų142.572%0.72477%0.771SS**  trans-151.3100162.9-56.40000105V346V346-T348 WeakPolarHBondContact CG1-OG1 3.24Å
349N31.3Very low32.9Very low123 Ų123139.3 Ų139.366%0.65877%0.77SS**  70.4103.264.5-66-0.4000113
350D35.7Very low32.8Very low163 Ų163138.2 Ų138.287%0.87277%0.773SS**  trans-151.4104.4135-85.6-40000104.1
351N32.2Very low32.9Very low129 Ų129136 Ų13669%0.6977%0.768SS**  cis85.5156.739.6-158.925.6000113
352L40.2Very low32.9Very low140 Ų140139.3 Ų139.373%0.73378%0.775SS**  trans74.9124.3-163.1-47.7174.3000112.9
353D37Very low32.9Very low140 Ų140139.3 Ų139.375%0.74978%0.776SS**  cis-143.4159.1-7.9-106.1-41.5000112
354N30.7Very low33Very low143 Ų143136.6 Ų136.677%0.76577%0.773SS**  trans-87.4148.3171.1-67.6-92.6000109.6
355D38.4Very low33.6Very low169 Ų169138.9 Ų138.990%0.90478%0.775SS**  trans-138.4151134.2-138.2-25.8000110.7
356Q31.2Very low34.3Very low170 Ų170136.8 Ų136.879%0.79477%0.772SS**  trans-120130-153.8175.1-175.318.700111.3
357L38.6Very low34.5Very low164 Ų164143.1 Ų143.186%0.85978%0.784SS**  trans-159.699.1156-110.6173.1000114.8
358D32Very low35.1Very low154 Ų154141.1 Ų141.182%0.82479%0.787SS**  trans62.5166.2143.3-118.8-43.5000123.6
359A28.2Very low35.2Very low77 Ų77146.6 Ų146.664%0.63679%0.794SS**  trans-133.7146.2-158.300000116.2
360S34.3Very low35.3Very low116 Ų116146.1 Ų146.181%0.81180%0.8SS**  trans-163.597.2153.1-168.60000108.7
361I34.1Very low35.6Very low133 Ų133147.8 Ų147.868%0.68280%0.8SS**  76.9106.574-62.5173000113.6
362H31.6Very low35.9Very low194 Ų194153 Ų15390%0.89881%0.81SS**  trans56.4128.4159.7-71.3-54.7000123.2
363G30.1Very low35.7Very low69 Ų69152.8 Ų152.871%0.71181%0.814SS**  trans132.6130.9148.100000115.2
364T37Very low35.6Very low141 Ų141155.6 Ų155.687%0.86582%0.82SS**  cis-156.6133.7-8.7-42.30000109
365L38.4Very low36.1Very low160 Ų160156.4 Ų156.484%0.83882%0.823SS**  trans-73.1140171-77.7167.8000111R367L365-R367 PolarHBondContact O-N 3.43Å; L365-R367 VanDerWaalsContact O-N 3.1Å
366P47.9Very low35.7Very low123 Ų123154.1 Ų154.180%0.79982%0.818SS**  trans-71.7107.5179.528.2-33.3000111.3A368P366-A368 PolarHBondContact O-N 3Å; P366-A368 VanDerWaalsContact O-N 3.09Å
367R35.3Very low36Very low239 Ų239150.6 Ų150.690%0.90281%0.812SS**  trans-45.3106.9179.1-171.6176.8-169.1157.62.3113L365 R369L365-R367 PolarHBondContact O-N 3.43Å; L365-R367 VanDerWaalsContact O-N 3.1Å; R367-R369 PolarHBondContact O-N 2.86Å
368A38.8Very low35.8Very low98 Ų98151.8 Ų151.881%0.8181%0.813SS**  trans-63.8105.9172.200000110P366 S370P366-A368 PolarHBondContact O-N 3Å; P366-A368 VanDerWaalsContact O-N 3.09Å; A368-S370 PolarHBondContact O-N 3.29Å
369R35.5Very low35.8Very low234 Ų234149 Ų14988%0.88381%0.806SS**  trans-77.293.4-174.4-172.2176.3-177.3172.71.1110.5R367 K371R367-R369 PolarHBondContact O-N 2.86Å; R369-K371 PolarHBondContact O-N 3.18Å
370S35.1Very low35.8Very low112 Ų112151.3 Ų151.378%0.78381%0.812SS**  trans-48.7122.8173-179.70000111.1A368 R372A368-S370 PolarHBondContact O-N 3.29Å; S370-R372 PolarHBondContact O-N 2.87Å
371K42Very low35.9Very low199 Ų199151.3 Ų151.387%0.86581%0.807SS**  trans-8388.4176.4-75.5-171.3175.7-176.50109R369 T373R369-K371 PolarHBondContact O-N 3.18Å; K371-T373 PolarHBondContact O-N 2.7Å; K371-T373 VanDerWaalsContact O-N 3.09Å
372R37Very low35.9Very low238 Ų238152 Ų15290%0.89881%0.811SS**  trans-54.7115.2168.3-176.1177.1-176175.12.5109.1S370 K374S370-R372 PolarHBondContact O-N 2.87Å; R372-K374 PolarHBondContact O-N 2.7Å
373T36.5Very low35.7Very low135 Ų135152.8 Ų152.883%0.82881%0.806SS**  trans-55.9127.7174.8-36.50000109.3K371K371-T373 PolarHBondContact O-N 2.7Å; K371-T373 VanDerWaalsContact O-N 3.09Å
374K35.6Very low35.9Very low199 Ų199154.2 Ų154.287%0.86581%0.806SS**  trans-104.6126.9176.9-151.5-177-176.6-167.50109.2R372R372-K374 PolarHBondContact O-N 2.7Å
375L40.5Very low35.7Very low160 Ų160152.3 Ų152.384%0.83880%0.798SS**  trans-67.1142.1175.2-70.8159.8000110.1
376P30.8Very low35.7Very low121 Ų121149.8 Ų149.879%0.78679%0.794SS**  trans-101.8102176.435.4-27.9000111.9
377S36.7Very low35Very low97 Ų97151 Ų15168%0.67879%0.794SS**  trans-157128.7161.939.40000111
378E34.7Very low35.1Very low188 Ų188145.6 Ų145.688%0.87979%0.791SS**  32.8145.8123.8-62.2164.6-174.400121
379S31.7Very low34.9Very low97 Ų97147.3 Ų147.368%0.67879%0.785SS**  cis-166.9156.5-21.171.40000111.1
380T29.5Very low34.8Very low124 Ų124144 Ų14476%0.76179%0.785SS**  trans68161.4149.1-25.20000120.6
381V35Very low34.9Very low116 Ų116142.7 Ų142.770%0.70379%0.789SS**  trans77.1102.1157.9-177.20000119.9
382L34Very low34.4Very low147 Ų147136.5 Ų136.577%0.7778%0.782SS**  48.4159.6125.9-52.6-175.7000122.1
383R28Very low34.3Very low211 Ų211132.2 Ų132.280%0.79678%0.777SS**  cis-176.5162-30.6-164.2-176.1-159.7161.42106.8
384S34.8Very low34Very low99 Ų99137 Ų13769%0.69278%0.78SS**  trans76.5157.7159.5-49.50000117.7
385S32.2Very low33.8Very low102 Ų102133.4 Ų133.471%0.71378%0.78SS**  cis-172.6169.9-27.1-93.80000111
386S37.4Very low33.3Very low107 Ų107130.6 Ų130.675%0.74877%0.773SS**  trans68.3137.4166.558.30000117.9
387N34.6Very low33.7Very low149 Ų149131.4 Ų131.480%0.79777%0.771SS**  cis91.598.223.1-68.48.2000116.3
388C36Very low33.7Very low125 Ų125133.8 Ų133.885%0.84578%0.776SS**  trans-172.1172.5135.853.80000110.5
389I36Very low33.6Very low133 Ų133132.7 Ų132.768%0.68278%0.776SS**  -178.6139.9-67.6-94.8163.6000108.1
390N33.1Very low33.8Very low165 Ų165132 Ų13288%0.88278%0.784SS**  trans66.1153.1165.3-68.4-13.8000121.3
391G36.2Very low34.1Very low84 Ų84132 Ų13287%0.86678%0.784SS**  trans111.4108164.300000115.4
392G31.8Very low33.9Very low69 Ų69134.3 Ų134.371%0.71179%0.792SS**  cis123.640.6-12.500000117.8
393N34.7Very low33.9Very low149 Ų149131 Ų13180%0.79779%0.794SS**  trans-170.2136.7154.7-91-35.6000108.1
394R30.5Very low34.3Very low236 Ų236130 Ų13089%0.89180%0.798SS**  6383.559.9-73.4-167.2173.7-153.51.2114.5
395S32.4Very low34.3Very low123 Ų123130.2 Ų130.286%0.8680%0.8SS**  -163.8159.8116.3-138.60000111.1
396S29.8Very low34.3Very low101 Ų101134 Ų13471%0.70681%0.806SS**  trans-70.1145.8164.6-61.80000110.2
397N39.1Very low34Very low137 Ų137133.7 Ų133.773%0.73380%0.803SS**  175.3123.4126.8-88.7-16.7000111.7
398N36.5Very low33.9Very low148 Ų148134.3 Ų134.379%0.79181%0.805SS**SBendtrans60.7-169.3155-51-34.5000117.4
399N32.5Very low33.9Very low165 Ų165134 Ų13488%0.88280%0.802SS**  trans-31.5139.1175.9-48.6-23.5000116.9
400G35.1Very low33.9Very low81 Ų81134 Ų13484%0.83581%0.811SS**  trans-176107166.600000114.1
401T35.6Very low33.8Very low124 Ų124135.7 Ų135.776%0.76181%0.81SS**  trans-86.1149-175.648.30000115.1
402N31.8Very low33.7Very low165 Ų165135.7 Ų135.788%0.88280%0.802SS**  trans66.6141.7149.8-59-16.9000120.4
403G34Very low34.1Very low78 Ų78138.8 Ų138.880%0.80481%0.807SS**  trans171.3156170.500000112.6
404Q36.2Very low34.6Very low190 Ų190136.7 Ų136.789%0.88880%0.802SS**  trans-132.5163.2-174.8-66.1-173.4-82.100114.3
405S34.9Very low35Very low103 Ų103133.3 Ų133.372%0.7280%0.796SS**  trans69.2117.4143.752.90000123.1
406E32.6Very low35.3Very low181 Ų181132.8 Ų132.885%0.84679%0.788SS**  88.6134.2129.8-70.3-165.216500125.2
407C30.7Very low35.9Very low101 Ų101132.3 Ų132.368%0.68278%0.784SS**  trans82.6102.8144-76.90000124.5
408L31.4Very low36.1Very low162 Ų162132.8 Ų132.885%0.84879%0.787SS**  trans81.4128.2130.7-61.4173.4000122.1
409P36.2Very low36.6Very low119 Ų119132.6 Ų132.677%0.77379%0.786SS**  trans-99.7168.3164.838.5-33.1000114.3
410P37.5Very low37.3Very low133 Ų133130.6 Ų130.686%0.86478%0.779SS**  trans-104.2-170.4-163.941.4-38000116.3
411K30.4Very low37.6Very low200 Ų200133 Ų13387%0.8777%0.773SS**  trans-147.3151.9176.3178.7171.4178.8176.20113.2
412A34.1Very low37.9Very low84 Ų84131 Ų13169%0.69477%0.765SS**  trans77.2158.9176.200000114.1
413T40.3Very low38Very low134 Ų134131.2 Ų131.282%0.82276%0.76SS**  cis-132.5-13826.347.30000114.7
414P44Very low38.1Very low105 Ų105131.4 Ų131.468%0.68275%0.754SS**  -138.6-147.7-121.343.1-18.1000117
415E39Very low38Very low166 Ų166129.8 Ų129.878%0.77675%0.75SS**  trans90151.1165.8-46.5-158.4-177.100117.5
416T40.6Very low38.2Very low112 Ų112130.2 Ų130.269%0.68775%0.75SS**  cis-141.3144.213.2-29.10000113.6
417S41.8Very low38.2Very low90 Ų90125.8 Ų125.863%0.62975%0.745SS**  trans52.5179.3152.367.70000118.6
418D43.9Very low38.1Very low147 Ų147127.7 Ų127.779%0.78675%0.748SS**  cis-119.7-157.2-7.2-69.2-87.2000108.4
419D45.8Very low38.1Very low144 Ų144124.5 Ų124.577%0.7774%0.735SS**  cis-158.3-1774.7-160.62.1000110.5
420V47.3Very low37.9Very low123 Ų123124.6 Ų124.675%0.74573%0.73SS**  trans-67.9155.5175-71.90000114.7
421D41Very low37.7Very low132 Ų132124.4 Ų124.471%0.70672%0.721SS**  cis-164-151.3-22.3-164.126.5000104.3
422S41.7Very low37.8Very low83 Ų83120.2 Ų120.258%0.5871%0.712SS**  cis-155.5137.22.2-155.10000114.7
423Q34.5Very low37.5Very low168 Ų168122.1 Ų122.179%0.78571%0.711SS**  trans45.7139144.5-68.7-173.252.300124.6
424A36.4Very low37.1Very low83 Ų83123.7 Ų123.769%0.68671%0.709SS**  trans77.1138.5139.200000120.4
425I32.8Very low36.5Very low155 Ų155124 Ų12480%0.79571%0.708SS**  cis-158.5156.5-27.3-123.2153.1000107.9
426P40.8Very low36Very low113 Ų113124.3 Ų124.373%0.73471%0.708SS**  trans-93-151.5-170.939.8-36.6000112.6
427A31Very low35.4Very low88 Ų88127.7 Ų127.773%0.72771%0.713SS**  trans80.8157.2-171.800000112.4
428N29.1Very low34.8Very low141 Ų141127.8 Ų127.875%0.75472%0.719SS**  cis-163.9159.9-4.9-124.628.8000107.3
429T32.1Very low34.1Very low94 Ų94127.5 Ų127.558%0.57772%0.723SS**  cis-166.1175.8-3.9-4.10000108.9
430N31.6Very low33.4Very low122 Ų122127.5 Ų127.565%0.65272%0.722SS**  trans71.8126148-71.322.5000117.9
431D32.6Very low32.6Very low128 Ų128126.5 Ų126.568%0.68472%0.719SS**  89.6148.480.1-66.1-22.1000111.8
432T32.9Very low32.2Very low112 Ų112129.2 Ų129.269%0.68773%0.725SS**  cis-150.1-172.9-3.43.90000109.5
433N29.2Very low31.7Very low125 Ų125129.6 Ų129.667%0.66873%0.733SS**  trans-3.2152.2140.9-44.4-2.4000117.2
434E32Very low31.9Very low167 Ų167126.6 Ų126.678%0.7873%0.731SS**  cis-163.1178.540.4-148.2139.5-99.800115.7
435V30.4Very low31.8Very low110 Ų110128.9 Ų128.967%0.66774%0.736SS**  trans-77.8160.6-171.3-166.70000113
436F27.8Very low32.1Very low174 Ų174126.1 Ų126.176%0.76373%0.728SS**  trans116.2126.5146.2-72.1-67.8000121.2
437K28.4Very low31.8Very low183 Ų183129.5 Ų129.580%0.79673%0.731SS**  trans51.8106.9140-74.5169.7177.1176.50120.5
438A28.8Very low32Very low91 Ų91131.6 Ų131.675%0.75273%0.73SS**  31.3135.7114.900000120.8
439T29.8Very low32.3Very low142 Ų142130.8 Ų130.887%0.87173%0.725SS**  -165.4146.3113.5-79.70000113.8
440L31.7Very low32.3Very low144 Ų144134 Ų13475%0.75473%0.734SS**  trans-54.6147.7172.6-177.383.6000116
441C30.6Very low32.4Very low101 Ų101136.5 Ų136.568%0.68274%0.742SS**  -179.3127.1129.2-97.10000117.3
442K32.1Very low32.3Very low190 Ų190135.4 Ų135.483%0.82674%0.744SS**  42.1151.6123.3-63.4176.3179174.20121
443A31.4Very low32.2Very low91 Ų91136 Ų13675%0.75275%0.747SS**  cis-141.8-1763.900000109.4
444S37.8Very low32.2Very low105 Ų105137.1 Ų137.173%0.73475%0.753SS**  cis-150.2140.111.940.20000109.3
445V35.2Very low32.4Very low131 Ų131135.9 Ų135.979%0.79476%0.758SS**  79.6130.754.9164.70000112.6
446P38.5Very low32.7Very low96 Ų96135.9 Ų135.962%0.62376%0.762SS**  cis-147.6-169.9-21.942.2-22.6000115.9
447K35Very low32.9Very low184 Ų184133 Ų13380%0.876%0.764SS**  trans69.5141.4161.9-60.6167.6-176.1-177.80116.5
448N34.6Very low33.4Very low132 Ų132130.8 Ų130.871%0.70676%0.761SS**  cis-158.6-177.1-13.2-115.132.1000105.9
449D35.8Very low33.9Very low124 Ų124134.2 Ų134.266%0.66377%0.765SS**  cis-153.1-162.911.4-137.2-43.4000112.1
450Q32.3Very low34.3Very low162 Ų162135.7 Ų135.776%0.75776%0.756SS**  trans-64.8166.5166.4-64.5166.7-38.200112.8
451E34Very low34.9Very low174 Ų174135 Ų13581%0.81375%0.753SS**  cis-148.1168.115.6-152.9159.4-148.500112.8
452S29.7Very low35.4Very low105 Ų105137.9 Ų137.973%0.73476%0.762SS**  trans-99.1153.8-175.760.20000113.5
453V31.7Very low36.2Very low124 Ų124135 Ų13575%0.75276%0.755SS**  trans-171.1128135.3137.20000112.1
454N29.5Very low36.6Very low149 Ų149136.6 Ų136.680%0.79776%0.758SS**  trans36.6100.9155.7-54.7-17.9000120.7
455T34.4Very low37.2Very low142 Ų142140.6 Ų140.687%0.87176%0.757SS**  trans-145.3128.4141.9-62.30000109.4
456S37.8Very low37.6Very low109 Ų109139.6 Ų139.676%0.76275%0.753SS**  trans-82.4124.3-177.942.40000112
457S32.5Very low37.7Very low115 Ų115140.9 Ų140.980%0.80476%0.761SS**  trans-83.3134.4-17648.40000112.5
458N37.8Very low37.8Very low136 Ų136143 Ų14373%0.72776%0.764SS**  trans-141.381.4175.9-94.8-65.9000113.6Y460N458-Y460 PolarHBondContact O-N 2.76Å
459L40.8Very low38Very low162 Ų162148.5 Ų148.585%0.84878%0.775SS**SBend62.237.1125.7-148.675000119.7
460Y36.5Very low37.8Very low173 Ų173147.3 Ų147.368%0.67878%0.776SS**  trans-135.2-2171.2-96.9-79000117.9N458 N462N458-Y460 PolarHBondContact O-N 2.76Å; Y460-N462 PolarHBondContact O-N 2.96Å
461D45.5Very low38.3Very low130 Ų130144.7 Ų144.770%0.69578%0.776SS**SBendtrans-84.13.5-174.6-104.8-43.2000116R465D461-R465 IonicContact OD1-NH2 3.54Å; D461-R465 PolarHBondContact OD1-NH2 3.21Å
462N39.7Very low38.5Very low161 Ų161147.5 Ų147.586%0.86178%0.779SS**  trans-109.243.2-174.7-74.9-54.7000114.1Y460Y460-N462 PolarHBondContact O-N 2.96Å
463L49.7Very low39Very low130 Ų130150.4 Ų150.468%0.68179%0.786SS**SBendtrans-127.1142.5169.9-72.8175000111.1R465L463-R465 PolarHBondContact O-N 2.95Å
464P40.4Very low39.1Very low125 Ų125150.6 Ų150.681%0.81279%0.789SS**PPolyproline II helixtrans-68.1118.9-166.626.1-34.6000112.1
465R50.9Low39.4Very low188 Ų188146.8 Ų146.871%0.70979%0.785SS**PPolyproline II helixtrans-71.3137.5172.9-65.5-175.7-177.1-175.52.9110D461 L463D461-R465 IonicContact OD1-NH2 3.54Å; D461-R465 PolarHBondContact OD1-NH2 3.21Å; L463-R465 PolarHBondContact O-N 2.95Å
466P42.4Very low39.2Very low110 Ų110144.5 Ų144.571%0.71478%0.781SS**PPolyproline II helixtrans-63.1151.6170.827.8-34.4000110.7R468P466-R468 PolarHBondContact O-N 3.22Å
467P40.5Very low39.1Very low124 Ų124146.4 Ų146.481%0.80578%0.781SS**  trans-69.9107.3-162.8-21.534.5000114.1R469P467-R469 PolarHBondContact O-N 3.4Å
468R36.4Very low39.5Very low227 Ų227148.5 Ų148.586%0.85778%0.783SS**  trans-77.890.5161.4-76.7-175.5173.4163.1-1.2109.7P466 S470P466-R468 PolarHBondContact O-N 3.22Å; R468-S470 PolarHBondContact O-N 3.33Å
469R40.5Very low39.2Very low249 Ų249147.9 Ų147.994%0.9478%0.784SS**  trans-91.186.3168.8-85.4-165.2170.1-138-1.7111.8P467P467-R469 PolarHBondContact O-N 3.4Å
470S30.2Very low39Very low98 Ų98148.3 Ų148.369%0.68579%0.786SS**  trans-100157.5155.5510000110.3R468R468-S470 PolarHBondContact O-N 3.33Å
471S43.2Very low39Very low108 Ų108145.2 Ų145.276%0.75579%0.787SS**  trans82.5114.2168.373.40000120.6
472R38.5Very low38.5Very low233 Ų233146.8 Ų146.888%0.87980%0.795SS**  trans64105.9131.1-61-179.9-178.9-152.5-0.8121.6
473L39.1Very low38.7Very low165 Ų165145.3 Ų145.386%0.86479%0.794SS**  54.9157.6118.3-65.6174.4000120.5
474P34.4Very low37.9Very low128 Ų128143.3 Ų143.383%0.83180%0.797SS**  cis-130.9179.716.542.5-26.2000116.8
475G35.7Very low37.5Very low69 Ų69148.3 Ų148.371%0.71180%0.799SS**  trans105.4100.2175.300000112.6
476A31Very low36.6Very low95 Ų95144.3 Ų144.379%0.78580%0.8SS**  76.9126.761.500000113
477I35.1Very low36.3Very low148 Ų148147 Ų14776%0.75980%0.803SS**  cis-147133.1-5.4-90.1145.7000108.1
478N40.7Very low36Very low159 Ų159150.7 Ų150.785%0.8581%0.806SS**  trans-179.2134.4131.5-99.6-34.8000109.9
479V31.9Very low36Very low124 Ų124148.6 Ų148.675%0.75281%0.806SS**  trans-129.6127.5-169179.80000110
480L37.5Very low35.4Very low170 Ų170144.7 Ų144.789%0.8980%0.796SS**  trans-132.5142153.2-77177.9000109.6
481P36.5Very low35.7Very low108 Ų108147.5 Ų147.570%0.70180%0.803SS**  trans-96.5153.2-161.6-0.923.2000113
482L34.6Very low35.1Very low164 Ų164148.4 Ų148.486%0.85980%0.799SS**  trans-64.3134161.5-67.9170.1000109.6A484L482-A484 PolarHBondContact O-N 2.83Å
483P42.6Very low35Very low129 Ų129145 Ų14584%0.83879%0.792SS**  trans-62.9106.7171.4-22.934.4000110.8
484A33.7Very low34.6Very low89 Ų89143.6 Ų143.674%0.73679%0.786SS**  trans-67.3155.8172.700000111L482 S486L482-A484 PolarHBondContact O-N 2.83Å; A484-S486 PolarHBondContact O-N 2.82Å
485R31.3Very low34.5Very low230 Ų230142.4 Ų142.487%0.86878%0.781SS**  trans-54.2129.4173.2-66.8178.2174.9-173.1-1.6110.2
486S33.4Very low34.5Very low103 Ų103143.4 Ų143.472%0.7278%0.782SS**  trans-110.498.5160.150.50000110.1A484 K488A484-S486 PolarHBondContact O-N 2.82Å; S486-K488 PolarHBondContact O-N 2.65Å
487H34.3Very low34.7Very low168 Ų168145.4 Ų145.478%0.77878%0.78SS**  trans-66.3109.3148.1-77.6-98.7000106Q489H487-Q489 PolarHBondContact O-N 3.29Å; H487-Q489 VanDerWaalsContact O-N 3.13Å
488K35.6Very low34.8Very low200 Ų200144.9 Ų144.987%0.8778%0.777SS**  trans-79.594.2170.1-90.3-163.4169.9-171.10109.4S486S486-K488 PolarHBondContact O-N 2.65Å
489Q35.5Very low34.7Very low184 Ų184144.9 Ų144.986%0.8677%0.772SS**  trans-73.3144.1165.6-170.2164.2-40.600109.9H487H487-Q489 PolarHBondContact O-N 3.29Å; H487-Q489 VanDerWaalsContact O-N 3.13Å
490K29.5Very low35Very low167 Ų167144.3 Ų144.373%0.72677%0.769SS**  trans-53.4131.9176.7177.6-176.1-175179.70112.4
491D34.8Very low34.9Very low156 Ų156141.2 Ų141.283%0.83476%0.759SS**  trans-156.4160.5149.2-105.5-36.6000111.8
492L31.9Very low35Very low128 Ų128143.6 Ų143.667%0.6777%0.765SS**  trans-99.5152.8-162.6-66.473.4000113.3
493H35.4Very low35Very low160 Ų160142.5 Ų142.574%0.74176%0.76SS**  178.2137.6111.5-102.4-73.9000113.8
494N31.5Very low34.6Very low136 Ų136141.2 Ų141.273%0.72775%0.75SS**  trans59141.5151.4-57.40.8000120.1
495S32.4Very low34.8Very low104 Ų104143.5 Ų143.573%0.72775%0.75SS**  cis-166153.4-13.9-93.60000110.1
496A35.7Very low34.9Very low89 Ų89138.7 Ų138.774%0.73674%0.741SS**  trans66.5138.6170.500000116.9
497N34.5Very low35Very low137 Ų137139 Ų13973%0.73374%0.739SS**  cis-155.8144.8-2.8-122.54.3000111.8
498I37.4Very low35.1Very low138 Ų138138.9 Ų138.971%0.70874%0.739SS**  trans60.1124.2146.3-61.2166.2000116.7
499E39.5Very low35Very low159 Ų159137.8 Ų137.874%0.74373%0.734SS**  cis-174.9179-10.5-134.1-170.3-94.800107.2
500T37.2Very low34.9Very low111 Ų111133.6 Ų133.668%0.68173%0.725SS**  cis-145151.4-1-41.80000108.4
501P35.5Very low35.1Very low105 Ų105131.6 Ų131.668%0.68273%0.727SS**  trans-119.4170.1-169.242.2-32.7000116.4
502L38.5Very low35.2Very low159 Ų159131.7 Ų131.783%0.83273%0.728SS**  trans178.7153.9140.2-118.167.3000109
503N35.5Very low35.6Very low140 Ų140130 Ų13075%0.74972%0.723SS**  cis-147.5167.6-6.3-159.31.7000109.9
504T34Very low35.7Very low103 Ų103130.2 Ų130.263%0.63273%0.728SS**  trans-115.2164.9-167.853.50000115.8
505N36.8Very low36.1Very low137 Ų137129.8 Ų129.873%0.73373%0.726SS**  162.3130123.7-72.9-13000109.5
506D34.7Very low36.4Very low129 Ų129130.4 Ų130.469%0.6972%0.721SS**  70.9130.854.2-81.8-32.1000113.9
507T34.5Very low36.5Very low108 Ų108133.9 Ų133.966%0.66373%0.727SS**  cis-157.4162.2-13.8-29.90000106.8
508Q36.7Very low36.8Very low166 Ų166135.3 Ų135.378%0.77673%0.733SS**  168.4142.192-81.4-158.52.200113.2
509F33.7Very low36.8Very low178 Ų178139.3 Ų139.378%0.78174%0.739SS**  trans42.5132.4142.7-73-79.6000126.8
510S33.9Very low36.6Very low95 Ų95139.5 Ų139.566%0.66474%0.744SS**  trans82.7107.3136.4-64.60000122.2
511T32Very low36.5Very low126 Ų126141.8 Ų141.877%0.77375%0.752SS**  trans28.6119.8131.157.20000119.8
512D37.5Very low36.4Very low157 Ų157142.2 Ų142.284%0.8476%0.758SS**  -159.2178.7114.6-119.1-27.7000115.1
513T41.1Very low36.3Very low92 Ų92144.2 Ų144.256%0.56476%0.76SS**  trans-50.9152.8-165.450.20000120D515T513-D515 VanDerWaalsContact C-N 3.25Å; T513-D515 PolarHBondContact O-N 3.12Å
514L36.4Very low36.4Very low165 Ų165146.4 Ų146.486%0.86477%0.765SS**THydrogen-bonded Turntrans-79.438.6-177.2-161.180.3000114.5
515D40Very low36.6Very low127 Ų127149.7 Ų149.768%0.67978%0.777SS**THydrogen-bonded Turntrans-101.3-9.5-174.1-86.7-65.7000115.1T513T513-D515 VanDerWaalsContact C-N 3.25Å; T513-D515 PolarHBondContact O-N 3.12Å
516N39.2Very low36.5Very low118 Ų118152.5 Ų152.563%0.63178%0.783SS**G310 helixtrans-90-4.9-168.5-78.4-59.6000116.4I518N516-I518 VanDerWaalsContact C-N 3.29Å; N516-I518 PolarHBondContact O-N 3.06Å
517L38.3Very low36.5Very low162 Ų162150.3 Ų150.385%0.84878%0.782SS**G310 helixtrans-79.5-1-174.8-104.2152.5000115.5
518I41Very low36.5Very low167 Ų167154.3 Ų154.386%0.85679%0.793SS**G310 helixtrans-100.9-5.1-179.9-68174.9000112.4N516N516-I518 VanDerWaalsContact C-N 3.29Å; N516-I518 PolarHBondContact O-N 3.06Å
519R36.2Very low36.2Very low221 Ų221151.8 Ų151.883%0.83479%0.794SS**SBendtrans-109.97.4-166.7-125174.2-171.8169.53.1117.2
520L35.2Very low36.3Very low164 Ų164148.4 Ų148.486%0.85979%0.793SS**  trans-117.858.8-175.5-73.2172.6000113.5
521N36.5Very low36.3Very low159 Ų159152.2 Ų152.285%0.8581%0.805SS**SBendtrans-154.548.2162.4-137.3-19.8000114.1
522S31.8Very low36.3Very low114 Ų114149.7 Ų149.780%0.79780%0.803SS**  trans-167.5100.3170.7-83.40000112.7
523K38.3Very low36Very low201 Ų201147.5 Ų147.587%0.87480%0.8SS**  trans-178.3153.5153.4-104.6157.1-173.5179.50110.9
524H36.4Very low35.5Very low186 Ų186150.5 Ų150.586%0.86181%0.812SS**  trans65.2136.7-159.3-65.6-118000111.8
525I38.6Very low35.3Very low172 Ų172148.6 Ų148.688%0.88281%0.808SS**  cis-102.6-179.310.6-71171.6000111.8
526K33.7Very low34.8Very low196 Ų196150.6 Ų150.685%0.85282%0.817SS**  trans-111.5151.4-154.5-157.7-174.2-175.3-179.30113.1
527A35.3Very low34.5Very low82 Ų82151 Ų15168%0.67883%0.83SS**  trans84.5139.5148.300000122.1
528Q35.1Very low34.2Very low192 Ų192148.5 Ų148.590%0.89783%0.826SS**  trans69.392.7150.3-73.2174.3-8.700120.3
529S29.7Very low33.9Very low114 Ų114147.5 Ų147.580%0.79783%0.828SS**  trans-70.5143.915153.90000113
530S35.8Very low33.9Very low107 Ų107142.2 Ų142.275%0.74883%0.825SS**  -169.5146.8121.952.90000113.2
531L33.5Very low34.3Very low175 Ų175140.1 Ų140.192%0.91682%0.821SS**  trans37127.7145.2-59.9167.2000121.1
532G32.7Very low34.2Very low72 Ų72138.4 Ų138.474%0.74282%0.816SS**  126.2101.8129.600000118.7
533S31Very low34.2Very low111 Ų111138.6 Ų138.678%0.77682%0.817SS**  trans25.3127.5132.4-78.40000122.1
534L30.1Very low34.2Very low155 Ų155133.2 Ų133.281%0.81281%0.81SS**  trans70.7153.9149.9-51.3166.8000115
535T32.1Very low34.1Very low126 Ų126130.1 Ų130.177%0.77381%0.805SS**  cis-150.5170.6-8.3-3.80000109.2
536L29.4Very low33.9Very low168 Ų168127.5 Ų127.588%0.8880%0.797SS**  trans-69.8140.5173.8-57.3101000112.5
537S33Very low34.1Very low128 Ų128124.2 Ų124.290%0.89579%0.793SS**  trans-156.1146.1152.9-92.10000110.3
538S31.9Very low34.2Very low109 Ų109126.6 Ų126.676%0.76280%0.8SS**  trans-105.1148.5-179.955.10000112.4
539T36.6Very low34.2Very low146 Ų146122.7 Ų122.790%0.89679%0.794SS**  trans-163.2154.6147.415.40000112.1
540S34.3Very low34.8Very low110 Ų110123.2 Ų123.277%0.76980%0.795SS**  trans-121.9149.3173.7-49.10000110.5
541P43.7Very low34.7Very low120 Ų120121.6 Ų121.678%0.77979%0.794SS**  trans-128.4148.2134.734.5-24.4000110.9
542T36.1Very low35Very low122 Ų122120.5 Ų120.575%0.74880%0.795SS**  cis90.289.534.8-54.10000114.1
543S31.9Very low35.1Very low118 Ų118122.5 Ų122.583%0.82580%0.797SS**  trans46.9117.3135.6-50.60000123
544A36.4Very low35.6Very low88 Ų88122.2 Ų122.273%0.72779%0.793SS**  trans-150.7135.8135.200000107.2
545T35.1Very low35.8Very low122 Ų122123.2 Ų123.275%0.74879%0.793SS**  cis61.1124.946.867.80000113
546T35.4Very low36Very low117 Ų117122.7 Ų122.772%0.71879%0.79SS**  cis-166.8172.95.91.20000110.6
547T36.4Very low36.1Very low126 Ų126120.9 Ų120.977%0.77379%0.786SS**  trans65.2153.5155.242.90000118.4
548T38.7Very low36.2Very low132 Ų132120.3 Ų120.381%0.8178%0.782SS**  cis-144.7149.34.7200000111.3
549S34.2Very low36.4Very low110 Ų110122.5 Ų122.577%0.76979%0.785SS**  trans-89.6-180156-30.60000109.4
550P41.9Very low36.4Very low126 Ų126123.7 Ų123.782%0.81878%0.78SS**  cis-151.2-173.935.444.6-23.1000117.9
551G33.5Very low36.5Very low72 Ų72124.6 Ų124.674%0.74279%0.787SS**  trans83.4159.915800000116.7
552V39.9Very low36.1Very low153 Ų153124.5 Ų124.593%0.92779%0.789SS**  cis-138.3170.32.9-177.60000109.7
553S36.3Very low36.1Very low113 Ų113124.4 Ų124.479%0.7979%0.793SS**  trans-95.1176.4-169.3-107.30000115.5
554P40.6Very low36.1Very low106 Ų106127.5 Ų127.569%0.68880%0.797SS**  trans-98.6179.4-156.540.6-39.4000115.3
555H35Very low36.1Very low175 Ų175130.7 Ų130.781%0.8180%0.801SS**  trans-174.5161.6137.9-108.5-72.3000114.8
556T35.3Very low36.1Very low116 Ų116130.4 Ų130.471%0.71280%0.799SS**  trans58.3126.5157.9520000119.7
557T31.9Very low36.1Very low129 Ų129131 Ų13179%0.79181%0.805SS**  cis96.310130.964.90000116.5
558S36.3Very low36.2Very low116 Ų116130.3 Ų130.381%0.81181%0.805SS**  trans-177.6159.4151.950.60000107.5
559N35.9Very low35.9Very low155 Ų155130 Ų13083%0.82980%0.804SS**  cis-144.1166.89.9-136.610.5000111.7
560E34.9Very low36Very low171 Ų171132.7 Ų132.780%0.79981%0.807SS**  trans-85161.8-179.1-54.8168.9112.700113.4
561S38.3Very low35.7Very low129 Ų129131.8 Ų131.890%0.90280%0.804SS**  trans-170.6128.5138.2-84.20000112.7
562S34.8Very low35.7Very low118 Ų118133.6 Ų133.683%0.82581%0.805SS**  trans-87.1154.8-176.3-50.60000113.6
563S35.7Very low35.6Very low121 Ų121131.8 Ų131.885%0.84680%0.797SS**  trans-166138.4138.733.80000112.1
564M31.2Very low35.5Very low182 Ų182131 Ų13190%0.89779%0.791SS**  trans-109.7129.4168.6-61.3-178.975.200108.9
565L37.2Very low35.3Very low155 Ų155132.1 Ų132.181%0.81280%0.799SS**  trans-144.4100.1163.1-77.6-176.6000108.4
566T35.4Very low35.4Very low117 Ų117128.8 Ų128.872%0.71880%0.795SS**  72.9117.898.456.60000115.2
567P34.2Very low35.2Very low128 Ų128129 Ų12983%0.83180%0.801SS**  trans-90148.6170.935.8-33.1000113
568S39.4Very low35.4Very low112 Ų112127.8 Ų127.878%0.78380%0.798SS**  trans-148.4130.7163.945.70000107.9
569T31.4Very low35.1Very low126 Ų126127.8 Ų127.877%0.77380%0.798SS**  cis82.887.530.1-48.60000113.6
570I37.6Very low35.1Very low166 Ų166125.9 Ų125.985%0.85180%0.797SS**  trans-174.7133157.6-95.1146.9000105.8
571S35.7Very low34.9Very low108 Ų108122.8 Ų122.876%0.75579%0.794SS**  cis-151.5146.4-20.6-77.80000109.5
572S31.7Very low35.2Very low109 Ų109122.2 Ų122.276%0.76279%0.788SS**  trans-88-178.4161.4520000109.9
573P37.9Very low34.9Very low116 Ų116121.6 Ų121.675%0.75378%0.783SS**  cis-116.7-154.2-0.728.1-2.2000110.4
574S35.4Very low34.9Very low96 Ų96122.2 Ų122.267%0.67178%0.781SS**  cis-153.9153.113.3-56.50000112.2
575P36.1Very low34.8Very low130 Ų130118.8 Ų118.884%0.84478%0.776SS**  trans-94.5123.7166.634.3-28.6000112.1
576S36.4Very low34.8Very low104 Ų104120 Ų12073%0.72778%0.782SS**  trans-157.2117.5172.458.30000115
577S31.5Very low34.6Very low120 Ų120117.7 Ų117.784%0.83978%0.775SS**  trans-0.6115.9152.654.70000120.5
578S35.7Very low34.6Very low105 Ų105121 Ų12173%0.73478%0.776SS**  trans-158.9138.7131.7510000108
579S31.4Very low34.5Very low115 Ų115124.4 Ų124.480%0.80478%0.782SS**  cis83.260.126.987.60000116.1
580S34.8Very low34.6Very low116 Ų116123.7 Ų123.781%0.81178%0.782SS**  trans-162.8144.114854.20000112.6
581S32.3Very low34.7Very low106 Ų106125.7 Ų125.774%0.74179%0.785SS**  trans-92.8139.3170.3-510000110.1S583S581-S583 PolarHBondContact O-N 3.25Å
582P43.5Very low34.7Very low117 Ų117129.3 Ų129.376%0.7679%0.787SS**  trans-9475.1162.434.9-30.6000110.3V584P582-V584 VanDerWaalsContact C-N 3.26Å; P582-V584 WeakPolarHBondContact O-CG2 3.4Å; P582-V584 PolarHBondContact O-N 2.76Å
583S28.9Very low34.8Very low104 Ų104129.6 Ų129.673%0.72778%0.784SS**  trans-74.781.8164.855.20000109.4S581 S585S581-S583 PolarHBondContact O-N 3.25Å; S583-S585 PolarHBondContact O-N 3.07Å; S583-S585 VanDerWaalsContact O-N 3.1Å
584V36.3Very low34.9Very low134 Ų134130.2 Ų130.281%0.81279%0.785SS**  trans-80.489.2179.9-115.30000110.8P582P582-V584 VanDerWaalsContact C-N 3.26Å; P582-V584 WeakPolarHBondContact O-CG2 3.4Å; P582-V584 PolarHBondContact O-N 2.76Å
585S28.8Very low34.9Very low111 Ų111131 Ų13178%0.77679%0.786SS**  trans-71.4127.7164.5-56.90000110.3S583S583-S585 PolarHBondContact O-N 3.07Å; S583-S585 VanDerWaalsContact O-N 3.1Å
586L36.1Very low35.1Very low179 Ų179129.9 Ų129.994%0.93778%0.779SS**  trans-120.2127.1157.8-99.6163000107.7
587A31.8Very low35.1Very low69 Ų69131.5 Ų131.557%0.5778%0.784SS**  trans-111.6178.9-165.100000112.3
588F34.5Very low34.9Very low198 Ų198131.1 Ų131.187%0.86878%0.78SS**  trans71.6142.2-178.6-49-83.4000113.6
589M37.3Very low34.9Very low184 Ų184134.4 Ų134.491%0.90679%0.789SS**  cis-127.2153.812.8-66.3172.264.400113.3
590S33.5Very low34.9Very low110 Ų110133.6 Ų133.677%0.76978%0.783SS**  trans-91.6139.2-175.2-40.20000114.2
591K40.3Very low35.1Very low209 Ų209137.1 Ų137.191%0.90979%0.787SS**  trans171.8146.9150.1-94.7150.5-175.11790109.2
592K35.4Very low35.3Very low184 Ų184137.1 Ų137.180%0.878%0.784SS**  cis-165.2131.6-23.4178.2177.9177-175.90108
593V33.5Very low34.6Very low115 Ų115136.7 Ų136.770%0.69778%0.784SS**  trans10.8121.7148.9-166.10000116
594V39.5Very low35Very low128 Ų128140 Ų14078%0.77679%0.793SS**  -138.2150.364.6161.90000110.1
595T36.5Very low34.7Very low112 Ų112137.7 Ų137.769%0.68779%0.787SS**  cis82.3159.236.743.40000116.3
596P39.3Very low35.3Very low108 Ų108137.8 Ų137.870%0.70179%0.786SS**  trans-123.4-173.7-143.845.6-36.6000115.9
597T36.1Very low35.1Very low137 Ų137133.7 Ų133.784%0.8477%0.772SS**  trans-158.7146.8138.2-77.60000110.5
598C27.7Very low35.2Very low112 Ų112137.6 Ų137.676%0.75778%0.783SS**  trans-93.6157.1179.6-500000111.8
599L35.2Very low35.2Very low174 Ų174137.1 Ų137.191%0.91178%0.776SS**  trans-152.2107.1154.1-115.3157.5000111.4
600S32.7Very low35.2Very low99 Ų99136.3 Ų136.369%0.69277%0.774SS**  trans-87156.6166.450.40000110.4
601Q37.2Very low35.3Very low190 Ų190137.1 Ų137.189%0.88877%0.766SS**  trans-177.3167130.7-98.3-167.4-3.300111.1
602P36.5Very low34.9Very low105 Ų105133.7 Ų133.768%0.68276%0.757SS**  trans-123.7179.3-146.445.5-36000116.4
603S29.8Very low34.7Very low109 Ų109136 Ų13676%0.76276%0.762SS**  trans36.3113.7138174.50000119.4
604L36.2Very low34.5Very low174 Ų174135.7 Ų135.791%0.91177%0.765SS**  trans-154.5135149-111.3156.8000113.1
605A31.3Very low34.3Very low84 Ų84141.3 Ų141.369%0.69477%0.772SS**  trans-157.7169.9167.100000106.6
606P40Very low34Very low114 Ų114142.2 Ų142.274%0.7477%0.773SS**  cis-132.1-154.8039.2-18.9000112.8
607S32.5Very low33.8Very low93 Ų93143 Ų14365%0.6577%0.771SS**  trans75115.6154.4-64.50000120.6
608N34.5Very low33.7Very low151 Ų151143.3 Ų143.381%0.80776%0.763SS**  158.9158.3115.8-85.4-64.6000110.5
609R33.4Very low34Very low188 Ų188143.7 Ų143.771%0.70976%0.757SS**  cis178.298.7-27.5172.3-167.9176.8-145.82.7108.4
610L37.5Very low33.9Very low166 Ų166142.2 Ų142.287%0.86975%0.75SS**  trans-142.6117.2159.9-68.3175.6000105.8
611Q35.6Very low33.8Very low128 Ų128144.1 Ų144.160%0.59875%0.753SS**  58.713062.1-65.7-158.542.700113.4
612L32.5Very low33.7Very low137 Ų137142.2 Ų142.272%0.71775%0.754SS**  cis-170132.1-15.2-126.7173000106.1
613Y31.9Very low33.5Very low231 Ų231141.8 Ų141.891%0.90676%0.76SS**  trans179.1109.4147.2-101-61.8000110.9
614S27.9Very low33.8Very low109 Ų109140.7 Ų140.776%0.76276%0.758SS**  trans-134.5136.7161-57.80000107.5
615R36.3Very low33.8Very low247 Ų247137.8 Ų137.893%0.93275%0.752SS**  trans-137.5127.4167.2-154.7174.2-164.51734.5108.1
616N29.9Very low34Very low131 Ų131138.8 Ų138.870%0.70175%0.753SS**  trans-90.5-177.7-171.9-60.2-7.4000111.2
617N34.3Very low33.7Very low125 Ų125138.1 Ų138.167%0.66875%0.752SS**  trans79.6141.3163.9-60.435.2000115.9
618E34.4Very low33.6Very low143 Ų143142 Ų14267%0.66876%0.764SS**  cis-160.9156-11.2-116.7163156.200111
619N33.8Very low33.4Very low119 Ų119140.2 Ų140.264%0.63676%0.764SS**  trans31.6113.5147-49.6-22.5000119.9
620N33.7Very low33.4Very low143 Ų143137.2 Ų137.277%0.76577%0.772SS**  174.213493.3-90.8-56.9000115.8
621N31.7Very low33.2Very low140 Ų140135.9 Ų135.975%0.74976%0.764SS**  trans-1.3136.8150.2-49.6-29.2000120.6
622T33.4Very low33Very low149 Ų149137.4 Ų137.491%0.91478%0.776SS**  -166.6159.3103-710000109.4
623A34Very low33Very low97 Ų97140 Ų14080%0.80278%0.782SS**  trans-119.7153.8-156.900000116.7
624A36.3Very low33.2Very low86 Ų86136.2 Ų136.271%0.71178%0.776SS**  trans-158.8115.2143.900000107
625S34.9Very low33.5Very low113 Ų113138.3 Ų138.379%0.7978%0.778SS**  57.1125.46775.60000113.1
626S35.6Very low33.4Very low104 Ų104131.4 Ų131.473%0.72777%0.768SS**  cis-161.2153.718.650.90000114.6
627S33.9Very low33.8Very low101 Ų101130.2 Ų130.271%0.70677%0.77SS**  trans39.7118.715057.10000119.9
628L31Very low33.8Very low174 Ų174132 Ų13291%0.91177%0.774SS**  cis57.8112.544-66.2171.8000116.9
629S30.2Very low33.8Very low114 Ų114131.4 Ų131.480%0.79777%0.774SS**  trans-164.5106.9137.959.70000112.2
630S32.9Very low33.9Very low125 Ų125135.1 Ų135.187%0.87479%0.785SS**  trans-141.3131158.6-74.80000107.2
631I34Very low33.9Very low138 Ų138133.5 Ų133.571%0.70879%0.785SS**PPolyproline II helixtrans-98.5125.5-163-58.2168.5000110.7F633I631-F633 HydrophobicContact CG2-CD2 3.79Å; I631-F633 HydrophobicContact CG2-CE2 3.56Å; I631-F633 HydrophobicContact CG2-CZ 4.21Å
632N31.4Very low34.2Very low160 Ų160133.8 Ų133.886%0.85679%0.792SS**PPolyproline II helixtrans-98.8123.4163.9-76.8-20.8000109.1
633F32.7Very low34.2Very low190 Ų190134.6 Ų134.683%0.83379%0.79SS**PPolyproline II helixtrans-92.3137.2166.1-80.7-85.3000110.2I631I631-F633 HydrophobicContact CG2-CD2 3.79Å; I631-F633 HydrophobicContact CG2-CE2 3.56Å; I631-F633 HydrophobicContact CG2-CZ 4.21Å
634I36.1Very low34.3Very low153 Ų153133.6 Ų133.679%0.78579%0.79SS**  trans-112.2135.5169.7-63171.9000106.5
635D33.6Very low34.1Very low152 Ų152135.4 Ų135.481%0.81380%0.796SS**  trans-125.3156.8169.4-162.4-4.7000108.9
636S34.9Very low34.1Very low102 Ų102134.4 Ų134.471%0.71379%0.789SS**  trans-155.8110.1-165.8-71.10000114.4
637S37.7Very low34.2Very low106 Ų106134.7 Ų134.774%0.74179%0.791SS**  trans-170.5151.417047.30000108.8
638E33.6Very low34.3Very low162 Ų162137.2 Ų137.276%0.75780%0.795SS**  cis-161.6166.1-15.6-126.4-163.2132.300109.6
639I35.3Very low34.4Very low131 Ų131136.6 Ų136.667%0.67279%0.788SS**  trans51117.3154.2-53.7156.2000117
640K35.5Very low34.7Very low197 Ų197137.6 Ų137.686%0.85779%0.789SS**  -173.9147.878.6-157.4160.4-175.8171.90113.9
641S32.9Very low34.8Very low109 Ų109137.3 Ų137.376%0.76279%0.787SS**  trans-98.2152.8178.8-350000113.7
642T37.5Very low35.1Very low147 Ų147136.6 Ų136.690%0.90279%0.791SS**  trans-158.5150.5147.312.50000111.9
643D35Very low35.4Very low165 Ų165134.5 Ų134.588%0.88279%0.789SS**  trans-80.9169.6-159.1-52.4-93.4000117.7
644G35.3Very low35.5Very low77 Ų77131.2 Ų131.279%0.79479%0.785SS**  trans-174.963.7174.800000117.3
645C32.5Very low35.5Very low124 Ų124131.7 Ų131.784%0.83879%0.787SS**  trans22.9137.3153-122.60000120.6
646S35.5Very low35.4Very low92 Ų92133 Ų13364%0.64379%0.786SS**  cis-172.1153.545.2-45.70000113
647S36.5Very low35.4Very low110 Ų110134.7 Ų134.777%0.76979%0.792SS**  trans62.3154.5152.670.10000119
648I35.4Very low35.1Very low153 Ų153135 Ų13579%0.78579%0.789SS**  cis-163.6153.7-14.1-110.7165.2000105.6
649Q33.1Very low35.1Very low162 Ų162135.6 Ų135.676%0.75779%0.794SS**  cis-169.2151-31.4173.1172.8-12.100107.3
650T36.9Very low35Very low134 Ų134133.9 Ų133.982%0.82279%0.79SS**  trans-129169173.5420000113
651S35Very low34.9Very low120 Ų120131.1 Ų131.184%0.83979%0.79SS**  trans-70.5156.3-159.3-50.80000116
652P40.4Very low35.1Very low122 Ų122130.7 Ų130.779%0.79279%0.793SS**  trans-106.2157.1-160.639.5-34.9000116.1
653S37Very low34.9Very low116 Ų116130.1 Ų130.181%0.81179%0.789SS**  trans-153.3106.5144.845.50000112.9
654T35.3Very low35.1Very low121 Ų121127.6 Ų127.674%0.74278%0.782SS**  trans-4.7136.6140.6-25.30000115.1
655I36.2Very low35.1Very low163 Ų163131.6 Ų131.684%0.83678%0.782SS**  -152.4154.867.2-79.9162.9000113.3
656K32.1Very low35Very low181 Ų181131.3 Ų131.379%0.78778%0.776SS**  trans-71.3163.8-178.9-49.6166.6179.5174.20113.8
657T34.5Very low34.9Very low137 Ų137133.1 Ų133.184%0.8478%0.784SS**  -176.8149.3103.9-72.40000111.6
658T31.5Very low34.7Very low111 Ų111135.9 Ų135.968%0.68179%0.787SS**  trans-129.1135-177.6-50.70000109.7
659M34.7Very low34.4Very low175 Ų175133.8 Ų133.886%0.86278%0.781SS**  trans-172.4176144-86.1-36.7148.300109.6
660T32.8Very low34.4Very low95 Ų95135.3 Ų135.358%0.58379%0.788SS**  177.8148.5-64.1-84.60000109.9
661T33Very low34Very low139 Ų139135.1 Ų135.185%0.85378%0.781SS**  trans67157.9168.639.90000120.9
662A36Very low33.9Very low100 Ų100137.5 Ų137.583%0.82678%0.783SS**  trans105.2121.5155.700000119
663T34Very low33.3Very low136 Ų136137.5 Ų137.583%0.83478%0.781SS**  trans-126.8178.8172.242.70000107.6
664P39.8Very low33.1Very low112 Ų112138.6 Ų138.673%0.72778%0.783SS**  cis-128.3-139.7-32.935.3-15000110.4
665M34Very low32.7Very low160 Ų160138.6 Ų138.679%0.78879%0.788SS**  trans86.6110.2172.6-54.8-162.975.800115.1
666T30.7Very low32.6Very low118 Ų118136.3 Ų136.372%0.72479%0.787SS**  82.4115.473.6-61.40000112.7
667T33.9Very low32.6Very low131 Ų131133.8 Ų133.880%0.80479%0.789SS**  trans179.8134.5132-780000113.1
668M31.6Very low32.4Very low167 Ų167131.6 Ų131.682%0.82378%0.779SS**  trans13.4129.5158.4-75.9-165.8163.500124.3
669T29.1Very low32.4Very low109 Ų109132.5 Ų132.567%0.66979%0.79SS**  57114.9114.4-43.90000120.8
670Q33.4Very low32.1Very low194 Ų194131.2 Ų131.291%0.90779%0.787SS**  -146.3149.9119.7-119.8177.220.100112.7
671I29.4Very low32.1Very low131 Ų131131.9 Ų131.967%0.67280%0.795SS**  trans-97.8139.5178.1-62.2162.2000107.6T673I671-T673 HydrophobicContact CG2-CG2 4.28Å
672L32Very low32Very low169 Ų169131.1 Ų131.189%0.88579%0.79SS**  trans-144.3117.7150.6-139.479.5000110.9
673T28.8Very low31.8Very low123 Ų123133 Ų13376%0.75579%0.791SS**  trans-97.9133175.348.50000110.4I671I671-T673 HydrophobicContact CG2-CG2 4.28Å
674T32Very low31.7Very low139 Ų139135.2 Ų135.285%0.85379%0.789SS**  trans-135.1124.5159.744.60000110.5
675S28.3Very low31.3Very low121 Ų121135 Ų13585%0.84679%0.79SS**  trans-120137.1176.654.10000109.6
676S32.4Very low31.1Very low115 Ų115135.2 Ų135.280%0.80479%0.794SS**  trans-149.6149.6178.645.60000110
677P33.4Very low31.1Very low127 Ų127136.7 Ų136.783%0.82580%0.796SS**  -122.8-179.4-118.440.5-31.3000116.9
678S29.1Very low31Very low91 Ų91138 Ų13864%0.63679%0.793SS**  trans-54.9153.5179.857.10000117.3
679S32.2Very low30.8Very low130 Ų130134.5 Ų134.591%0.90979%0.785SS**  trans-127.798.6150.1-71.60000110.6
680N28.8Very low30.9Very low149 Ų149140.7 Ų140.780%0.79780%0.797SS**  trans-83.3152164-68.3-73.6000109.7
681S32.8Very low30.6Very low109 Ų109137.4 Ų137.476%0.76279%0.791SS**  trans-167.3125.1134.5-154.70000114.6
682V30.8Very low30.5Very low123 Ų123135.8 Ų135.875%0.74579%0.791SS**  trans21.7122131.7-172.40000116.7
683V31.5Very low30.3Very low140 Ų140135.5 Ų135.585%0.84879%0.789SS**  -130.4130.585.8-1790000114
684K31.8Very low30.4Very low181 Ų181134 Ų13479%0.78778%0.783SS**  trans-100.4160.3161.2-77.9-177.7176.8177.50110.2
685S30.7Very low30.2Very low109 Ų109133.1 Ų133.176%0.76278%0.783SS**  trans55.5112.5162.759.30000118.7
686L30Very low30.4Very low164 Ų164135 Ų13586%0.85978%0.784SS**  -138.3122.1111.9-169.263000109.8
687I31.4Very low30.2Very low149 Ų149136.3 Ų136.376%0.76478%0.782SS**  trans-106.5108.9168.6-64.2170.9000106.3
688Q30.7Very low30.1Very low158 Ų158134.2 Ų134.274%0.73877%0.77SS**  trans-157.1120.7154.8-13485.251.200111.1
689S27.6Very low30.2Very low94 Ų94136.1 Ų136.166%0.65777%0.773SS**  trans5.2114.3154.754.30000119.9
690Y31.1Very low30.1Very low238 Ų238139.6 Ų139.693%0.93377%0.767SS**  trans-142.681.3140.9-87.2-67.4000111.3
691T28.4Very low30.2Very low125 Ų125139.9 Ų139.977%0.76777%0.769SS**  trans-107.2159.6152.250.80000108.5
692S27.3Very low30.2Very low97 Ų97138.2 Ų138.268%0.67876%0.762SS**  trans84.7129.3171.9-38.10000117.5
693I27.4Very low30.3Very low163 Ų163139.1 Ų139.184%0.83676%0.762SS**  trans67.1119.9148.3-56.4156.4000115.1
694S30.1Very low30.2Very low92 Ų92138.8 Ų138.864%0.64376%0.756SS**  -157.9142.360.3-163.30000115.5
695S28.9Very low30.3Very low120 Ų120140.1 Ų140.184%0.83976%0.757SS**  trans-86105.1159.3-59.10000109
696N31.8Very low30.3Very low162 Ų162140 Ų14087%0.86676%0.756SS**  trans-95.5123.1169.4-111.910.6000110.7
697N29.4Very low30.6Very low142 Ų142137.6 Ų137.676%0.75975%0.749SS**  trans-126.2147.6-177.5-175.619.2000109.5
698S30.7Very low30.7Very low83 Ų83136.5 Ų136.558%0.5874%0.744SS**  trans76139.6156.683.60000120.5
699N31.6Very low30.9Very low130 Ų130135.2 Ų135.270%0.69574%0.742SS**  trans88.3109135.8-64.8-8.7000123.2
700Y28.9Very low31.1Very low203 Ų203137.1 Ų137.180%0.79675%0.745SS**  48.9107.5128.8-64.1-80.3000121.5
701N32.2Very low31.3Very low156 Ų156132.2 Ų132.283%0.83474%0.735SS**  -153.214099.4-91.6-29.4000107.6
702A31.2Very low31.5Very low74 Ų74131.4 Ų131.461%0.61273%0.73SS**  cis92.4125.838.900000113.5
703N34Very low31.8Very low141 Ų141133.9 Ų133.975%0.75474%0.735SS**  trans69.193.5165.8-61.1-21.8000120.4
704N29.5Very low32.1Very low133 Ų133135.6 Ų135.671%0.71174%0.737SS**  58.8154.6102.9-68.8-34.7000122.9
705Y34.3Very low32.4Very low209 Ų209136.5 Ų136.582%0.8274%0.741SS**  trans77.492.4165.2-67.9-66.5000119.2
706S29.5Very low32.5Very low106 Ų106141.4 Ų141.474%0.74174%0.74SS**  trans-56.6127137.7170.10000110.7
707V36.7Very low32.6Very low115 Ų115141 Ų14170%0.69774%0.739SS**  trans-138.7100.2150.6179.60000108
708D33.2Very low32.6Very low126 Ų126138.6 Ų138.667%0.67473%0.733SS**  trans48.3162142.5-49.5-26.6000124
709N34.9Very low33.2Very low130 Ų130140.1 Ų140.170%0.69574%0.741SS**  trans79.284.8147.8-71.3-44.5000120.9
710N31.9Very low33.5Very low135 Ų135140.8 Ų140.872%0.72274%0.743SS**  88.2157.2104.1-99.3-54000122
711L34.8Very low33.7Very low135 Ų135140.1 Ų140.171%0.70775%0.745SS**  trans66.589.3157.4-97.866000121
712T33Very low33.9Very low108 Ų108137.6 Ų137.666%0.66374%0.735SS**  65.6148.5118.457.60000123
713N34.2Very low34.3Very low149 Ų149139.8 Ų139.880%0.79774%0.743SS**  trans93.3106153.6-59.2-31.9000120.3
714K32.7Very low34.4Very low198 Ų198138.2 Ų138.286%0.86174%0.738SS**  trans-34.4163.2139.5-72.1174.7174.1173.60113.5
715P36.8Very low34.8Very low112 Ų112137.9 Ų137.973%0.72774%0.741SS**  cis-143.9-178.624.143.4-24.8000117.7
716R30.5Very low34.8Very low222 Ų222134.1 Ų134.184%0.83874%0.74SS**  trans29.7122.4141.5-72.4-179.5176.5166.7-2.7119.7
717N33.9Very low34.8Very low155 Ų155134.7 Ų134.783%0.82974%0.739SS**  -175.917293.4-99.5-20.3000112.7
718S30.3Very low34.6Very low91 Ų91136 Ų13664%0.63675%0.748SS**  trans-104160.8-175.948.90000113.8
719P44Very low34.4Very low115 Ų115135.8 Ų135.875%0.74775%0.751SS**  trans-98.9145.9130.5-16.833.9000110.4
720L36.4Very low34.4Very low143 Ų143136.8 Ų136.875%0.74976%0.762SS**  cis63125.449.9-70.3130.6000113.1
721F33.7Very low34.3Very low189 Ų189135.9 Ų135.983%0.82976%0.762SS**  cis-160.6176.5-13.3-148-106.6000109.3
722V36.6Very low34.2Very low103 Ų103136.3 Ų136.362%0.62477%0.77SS**  trans-117.3150.4-175.4-162.10000111.4V724V722-V724 HydrophobicContact CB-CG2 3.86Å; V722-V724 HydrophobicContact CG1-CG2 3.82Å
723P38.5Very low34Very low121 Ų121137 Ų13779%0.78677%0.774SS**  trans-122.1117.5143.933.6-22.3000109.6
724V37Very low34Very low107 Ų107137.5 Ų137.565%0.64878%0.775SS**  cis73.7125.131.5-164.50000114.2V722V722-V724 HydrophobicContact CB-CG2 3.86Å; V722-V724 HydrophobicContact CG1-CG2 3.82Å
725T37.2Very low34.1Very low127 Ų127132.7 Ų132.778%0.77977%0.766SS**  trans113139.8168.863.30000114.6
726T34.1Very low34Very low130 Ų130132.5 Ų132.580%0.79877%0.768SS**  cis-141.9161.26.5-19.50000113
727T29.6Very low34.1Very low118 Ų118127.3 Ų127.372%0.72477%0.766SS**  trans-80.2156.3177.349.20000114.8
728T32.3Very low34.2Very low143 Ų143125.1 Ų125.188%0.87776%0.763SS**  trans-139.4138.8139.3-35.60000110.2
729T30.4Very low34.4Very low120 Ų120130.9 Ų130.974%0.73678%0.776SS**  trans-121.2153.5179.728.80000111.4
730T33.8Very low33.7Very low151 Ų151130.7 Ų130.793%0.92678%0.777SS**  trans-146.2142159.17.50000110
731T30.5Very low34Very low116 Ų116129.4 Ų129.471%0.71278%0.778SS**  trans-136.8133.1-170.1-540000109.9
732T32.7Very low34.1Very low145 Ų145124.8 Ų124.889%0.8977%0.774SS**  trans-147.3130.8161.313.50000110.4
733T29.4Very low34Very low122 Ų122125 Ų12575%0.74878%0.78SS**  trans-103.8-162.7179.646.30000110.8
734I34.6Very low34.2Very low160 Ų160127.4 Ų127.482%0.82179%0.785SS**  trans98.4133.8178-55.2159.7000112.7
735S33.5Very low34Very low96 Ų96126.7 Ų126.767%0.67179%0.785SS**  cis176.1159.5-34.6-95.70000107.5
736S35.1Very low33.9Very low108 Ų108130.7 Ų130.776%0.75579%0.792SS**  trans53.1113.9161.649.80000119
737S32.4Very low34Very low114 Ų114129.4 Ų129.480%0.79779%0.788SS**  cis89.9107.449.773.80000116.2
738S35.4Very low34.3Very low109 Ų109129.5 Ų129.576%0.76279%0.794SS**  trans-170.1121.9147.963.70000116.1
739K34.9Very low34.5Very low211 Ų211126.7 Ų126.792%0.91779%0.785SS**  trans56136.5133.7-60.2179.2178.9178.30122.8
740S30.8Very low34.9Very low111 Ų111127.3 Ų127.378%0.77679%0.788SS**  trans-102.3167.6164.751.90000112.7
741P42Very low34.9Very low117 Ų117128.6 Ų128.676%0.7678%0.781SS**  -133.1159.5116.116.56000111.3
742A36.2Very low35.1Very low91 Ų91128.8 Ų128.875%0.75278%0.782SS**  61.5138.557.900000113.9
743S34.7Very low35.3Very low107 Ų107127.7 Ų127.775%0.74878%0.775SS**  cis-174.6146.8-9.947.40000109.8
744I40.8Very low35.9Very low173 Ų173127 Ų12789%0.88777%0.773SS**  trans-138.5143.8163.4-54.7-179.4000109.5
745S33Very low36.2Very low92 Ų92125.3 Ų125.364%0.64377%0.77SS**  trans-146.1148.4-170.856.10000112.6
746F35.8Very low36.3Very low210 Ų210127 Ų12792%0.92177%0.772SS**  trans-141.3162.5156.2-88-72.5000110.3
747S35.7Very low36.5Very low104 Ų104126.8 Ų126.873%0.72776%0.762SS**  trans-146.4175.5-156.4-52.20000114.2
748S37.5Very low36.8Very low120 Ų120130.1 Ų130.184%0.83976%0.759SS**  trans107.7146.3169.175.80000116.4
749A36.5Very low37.1Very low83 Ų83131.3 Ų131.369%0.68676%0.756SS**  cis-165.6126.2-25.300000114.3
750V37.1Very low37.3Very low134 Ų134127 Ų12781%0.81274%0.744SS**  70.7148126.81770000122.3
751K35.4Very low37.8Very low177 Ų177127.3 Ų127.377%0.7774%0.736SS**  trans76.8122176.9-80.6167.5179.2-178.40115.6
752T34.8Very low37.7Very low120 Ų120128.4 Ų128.474%0.73674%0.736SS**  cis68.61353585.80000113.3
753T35.1Very low37.9Very low123 Ų123132.4 Ų132.476%0.75574%0.739SS**  cis-158.1154.146.3-58.90000111.8
754P43.8Very low38Very low107 Ų107131.2 Ų131.270%0.69573%0.73SS**  trans-104.8175.8178.741.1-35.9000114.6
755T39.3Very low37.9Very low125 Ų125131.6 Ų131.677%0.76773%0.726SS**  trans174.6135.2138.638.70000114
756N37.1Very low38Very low132 Ų132133.8 Ų133.871%0.70674%0.736SS**  trans66.3154.6138.1-66.645.7000120.6
757D37.5Very low38Very low102 Ų102127.5 Ų127.555%0.54573%0.73SS.*  cis-160.2169.53.3-128.4-31.4000115
758Y39.7Very low37.8Very low185 Ų185129.5 Ų129.573%0.72573%0.732SS**  trans64.8121.1160.4-63.4-48.9000120.8
759N40.6Very low37.9Very low133 Ų133132.4 Ų132.471%0.71173%0.732SS**  75141.876.1-78.915.3000113.4
760N40.2Very low37.7Very low122 Ų122136 Ų13665%0.65274%0.74SS**  cis-157.8178.112.3-97.61.8000107.2
761N40.6Very low37.6Very low117 Ų117135.6 Ų135.663%0.62674%0.743SS**  cis-168.8-178.9-23.6-96.57.2000109.2
762D41.2Very low37.4Very low139 Ų139133.1 Ų133.174%0.74374%0.743SS**  trans67.3132.1161-47.9-37.4000117.8
763E39.1Very low37.4Very low175 Ų175135.4 Ų135.482%0.81875%0.75SS**  cis69.9135.344.2-70.5-13792.200115.3
764S38.2Very low37.3Very low82 Ų82138.6 Ų138.657%0.57375%0.754SS**  cis-163.8172-14.463.40000112.3
765K38.1Very low36.8Very low181 Ų181141.8 Ų141.879%0.78776%0.764SS**  trans68132.8149.6-84.7176.9176.8166.10123.3
766T35.5Very low36.8Very low139 Ų139141.1 Ų141.185%0.85377%0.765SS**  trans68.4132.3142.154.50000120.9
767G34.8Very low36.6Very low77 Ų77142.1 Ų142.179%0.79477%0.77SS**  trans164.4103.1166.900000111.6
768N32.2Very low36.6Very low146 Ų146145.8 Ų145.878%0.78179%0.789SS**  trans-77.9164.9167.4-76-32.3000110.2
769H39.7Very low36.3Very low181 Ų181140.8 Ų140.884%0.83879%0.793SS**  148.8128.8122.4-75.3-65.1000112.5
770N30.9Very low36.2Very low159 Ų159138.3 Ų138.385%0.8580%0.799SS**  trans-71.7142.8166.4-64.8-30000110.3
771S35.5Very low35.9Very low125 Ų125142.5 Ų142.587%0.87481%0.812SS**  trans-172.9147.1132.6-84.70000112.8
772T31.8Very low35.6Very low126 Ų126144.7 Ų144.777%0.77382%0.82SS**  trans-77150.8170.850.90000112.2
773N34.6Very low35.3Very low167 Ų167148.3 Ų148.389%0.89382%0.823SS**  trans-158.3163.6140-107.6-37.6000113.7
774K33.4Very low35.2Very low191 Ų191145.9 Ų145.983%0.8382%0.82SS**  trans-102.6-175.8-177.4-65.6-179.3175.9-179.90111.7
775L33.7Very low35.2Very low174 Ų174147.8 Ų147.891%0.91183%0.83SS**  trans88147.1168.7-54.7154000113.7
776S38.1Very low34.8Very low111 Ų111144 Ų14478%0.77683%0.827SS**  cis-145164.16.552.90000113.9
777N32.5Very low34.7Very low152 Ų152142.6 Ų142.681%0.81382%0.823SS**  trans-48.5151.4168.8-70.5-31.8000114.6
778L38.4Very low34.8Very low180 Ų180147 Ų14794%0.94283%0.825SS**  -161.5131.9124.9-107.2155.5000110.1
779G32.1Very low34.9Very low79 Ų79146.5 Ų146.581%0.81482%0.82SS**  trans-108.5143.8-177.300000112.5
780G38.7Very low34.7Very low81 Ų81142.7 Ų142.784%0.83582%0.815SS**  trans-144.4118.817700000112
781K35.4Very low35Very low211 Ų211143.7 Ų143.792%0.91781%0.814SS**  trans-87.3129.8170.1-61.8175.5179.8178.10109
782M34.1Very low35Very low163 Ų163142.8 Ų142.880%0.80381%0.808SS**  trans-167.3120.6141.5-113.7173.867.200115.9
783R34.2Very low35.3Very low214 Ų214143.3 Ų143.381%0.80881%0.806SS**  41.8117.8129.1-171.4174-70.6157.8-2.2120.2
784V36.8Very low35.5Very low124 Ų124142 Ų14275%0.75280%0.797SS**  trans-64.6145.5163.3-1790000112.8
785P37.9Very low35.8Very low122 Ų122138.7 Ų138.779%0.79279%0.793SS**  trans-125163145.137.9-27.7000112.9
786S30Very low35.8Very low103 Ų103137.6 Ų137.672%0.7279%0.788SS**  trans-118.1158-177.2-60.50000113.3
787S34.6Very low36.2Very low109 Ų109136.8 Ų136.876%0.76278%0.78SS**  trans64126.7154.763.70000121.5
788M35.7Very low36.4Very low169 Ų169137.1 Ų137.183%0.83378%0.777SS**  trans-160.8134.4137.9-81.9-127.5166.500106.3
789I33.7Very low36.3Very low135 Ų135135.3 Ų135.369%0.69276%0.764SS**  cis103.3121.140.5-75.8166.4000112.1
790S36.8Very low36.5Very low102 Ų102139.2 Ų139.271%0.71376%0.761SS**  trans-174.9112.8151.4-76.40000107.1
791Q36Very low36.4Very low180 Ų180144 Ų14484%0.84176%0.759SS**  70.2133.792.2-77.3-178-9.100113.4
792S37.2Very low36.4Very low106 Ų106142.2 Ų142.274%0.74175%0.753SS**  cis-169.2167.49.873.70000109
793D36.7Very low36.4Very low136 Ų136142.2 Ų142.273%0.72775%0.752SS**  cis-172.1-168.6-6.1-134.8-81.5000113.4
794I40.1Very low36.3Very low141 Ų141139.7 Ų139.772%0.72375%0.753SS**  trans78.5100.2153-70.1156.7000121.4
795T38.7Very low36.1Very low120 Ų120138.8 Ų138.874%0.73675%0.75SS**  trans44.1102143.364.90000124.2
796D34.2Very low35.7Very low151 Ų151137.3 Ų137.381%0.80774%0.743SS**  38.4157.587-134.849.1000120.8
797P45.3Very low35.9Very low94 Ų94138.7 Ų138.761%0.6174%0.742SS**  -135.3177.4-54.341.1-28.5000115
798Q37Very low35.8Very low160 Ų160142.5 Ų142.575%0.74875%0.745SS**  -177.5137122-102.1-162.735.800117.4
799Q37.9Very low35.4Very low142 Ų142138.8 Ų138.866%0.66474%0.736SS**  trans74132.6143.6-72.7-157.567.300125.6
800Q35.9Very low35.4Very low161 Ų161140.1 Ų140.175%0.75274%0.739SS**  trans84.674.6146.4-69.7-173.740.200123.7
801K35.5Very low35Very low182 Ų182143.4 Ų143.479%0.79174%0.74SS**  59.493.9102.7-170.3-167.7179.8-175.90119.3
802Q36.3Very low35Very low172 Ų172141.1 Ų141.180%0.80474%0.739SS**  -162.7158116.5-113.8157.7107.700115.5
803Q34Very low34.5Very low164 Ų164143.2 Ų143.277%0.76674%0.742SS**  trans-48157.9178.8-69.7148-36.400114.6
804L32Very low34.4Very low161 Ų161147 Ų14784%0.84375%0.752SS**  cis-152.7144.934.2-160.675.7000111.9
805P32.4Very low34Very low104 Ų104149.7 Ų149.768%0.67576%0.759SS**  trans-111.7156.3-174.641.1-34.5000116.2
806S30.7Very low33.8Very low92 Ų92150 Ų15064%0.64377%0.766SS**  trans45.9131141.468.20000121.1
807N33.4Very low33.6Very low132 Ų132148.7 Ų148.771%0.70677%0.768SS**  -178156.772.2-92.9-56.6000114.7
808F31.8Very low33Very low188 Ų188150.2 Ų150.283%0.82578%0.781SS**  trans7.2141.1156.5-70.7-90000124.5
809S28.1Very low32.7Very low92 Ų92147.8 Ų147.864%0.64379%0.789SS**  trans-41.7154.2155.3540000117.5
810H33.7Very low32.6Very low162 Ų162146 Ų14675%0.7579%0.792SS**  -163.5141.7120.3-119.3-118000112.5
811F28.9Very low32.5Very low171 Ų171145.8 Ų145.875%0.7580%0.795SS**  trans19.6127.8152.6-69-116.7000119.1
812T34.6Very low32.5Very low132 Ų132146.6 Ų146.681%0.8180%0.799SS**  -172.6168.476.130.60000112.9
813N28.1Very low32.6Very low150 Ų150145.2 Ų145.280%0.80280%0.796SS**  trans-61.2139.3173.7-68.8-84.8000113.7
814F34.8Very low32.6Very low216 Ų216143 Ų14395%0.94780%0.799SS**  trans-151.5146.7130.7-104.4-70.4000112.1
815K31.1Very low32.7Very low198 Ų198138.8 Ų138.886%0.86179%0.794SS**  trans-84.6141.6177.7-64.2167.9-179.7166.10110.5
816S34.5Very low33.1Very low127 Ų127140.1 Ų140.189%0.88880%0.803SS**  trans-153.2136.7145.1-93.60000110.6
817S28.9Very low33.3Very low122 Ų122144.4 Ų144.485%0.85381%0.813SS**  trans-86.3137.3172.9-54.50000109.9
818S34Very low33.7Very low126 Ų126142.5 Ų142.588%0.88181%0.807SS**  trans-141.1124.9153.7-87.60000109.3
819A29.7Very low34Very low110 Ų110139.6 Ų139.691%0.90981%0.805SS**  trans-114.9122.4165.200000107.2
820S35.3Very low34.5Very low105 Ų105140.7 Ų140.773%0.73481%0.813SS**  trans-126.6135.5169.747.60000109.1
821L34.5Very low34.7Very low155 Ų155142.3 Ų142.381%0.81282%0.818SS**  trans-78.1135.4176.2-67.4152.3000108.9
822F35.4Very low35.2Very low200 Ų200142 Ų14288%0.87782%0.818SS**  trans-132.1124.3150-88.3-79.1000108.7
823L38.3Very low35.3Very low142 Ų142142.3 Ų142.374%0.74381%0.811SS**  trans-87.4147.8175.9-85.986.9000110.7
824S34.3Very low35.8Very low118 Ų118142.1 Ų142.183%0.82581%0.805SS**  trans41.2113138.3-51.40000119.8
825G35.4Very low35.9Very low72 Ų72137 Ų13774%0.74279%0.791SS**  trans-159.1173.2143.200000110.3
826P39.6Very low35.9Very low132 Ų132134.9 Ų134.986%0.85779%0.789SS**  cis-122.2174.1-13.839-25.8000112.5
827H36Very low36Very low183 Ų183135.6 Ų135.685%0.84779%0.788SS**  trans-130.6132.2160.1-156.2-75.8000109.6
828P40.7Very low36.3Very low92 Ų92135.5 Ų135.560%0.59778%0.782SS**  trans-92.7155.2-165.434.7-37.5000116.3
829T37.7Very low36.6Very low127 Ų127134.5 Ų134.578%0.77978%0.775SS**  trans54.6110.2145.154.30000121.9
830S39.5Very low36.9Very low114 Ų114136.3 Ų136.380%0.79777%0.77SS**  165.4106.8101.260.20000110.5
831K37.6Very low37Very low197 Ų197135.8 Ų135.886%0.85777%0.766SS**  73.8131.184.3-105.2-169178-175.40116
832Q38.9Very low37.1Very low164 Ų164134.2 Ų134.277%0.76677%0.768SS**  trans72148167.3-62.2-174.2-63.700118.3
833Q38.3Very low37.3Very low138 Ų138130.2 Ų130.265%0.64577%0.765SS**  cis-164.6155.2-34-119.4179.4-66.900109.8
834H37.5Very low36.9Very low147 Ų147128.6 Ų128.668%0.68177%0.766SS**  trans77.4118.2152.4-82.1-133.8000123.6
835T36.1Very low36.9Very low109 Ų109127.5 Ų127.567%0.66976%0.758SS**  trans66.4110.413259.50000123.3
836N31.9Very low36.6Very low153 Ų153129.4 Ų129.482%0.81876%0.76SS**  35.4130.5124.7-55.52.2000120.8
837V37.5Very low36.1Very low141 Ų141128.3 Ų128.386%0.85575%0.754SS**  -160.3143.797.31470000112.1
838T35Very low35.9Very low120 Ų120124.9 Ų124.974%0.73675%0.746SS**  trans-48137.6176.8-47.10000117.9
839S40.3Very low35.2Very low105 Ų105129.1 Ų129.173%0.73476%0.763SS**  175.5128.9107.751.20000115.8
840N36.3Very low34.8Very low148 Ų148127.5 Ų127.579%0.79176%0.757SS**  trans40.9147.7144.4-60.26.9000122.9
841S36.7Very low34.2Very low94 Ų94128.8 Ų128.866%0.65776%0.76SS**  cis-174.5155.4-22.751.20000109.9
842S36.5Very low33.7Very low123 Ų123124.9 Ų124.986%0.8676%0.756SS**  trans68.6141.9-17978.80000115.5
843S38.8Very low33.1Very low116 Ų116121.7 Ų121.781%0.81175%0.752SS**  cis-123.5140.41.847.90000112.9
844S31.1Very low32.8Very low108 Ų108121.3 Ų121.376%0.75576%0.762SS**  trans-76.6168159.659.30000109.2
845S34.3Very low32.5Very low94 Ų94120.7 Ų120.766%0.65777%0.768SS**  cis-152.4152.429.6-46.30000108.5
846S27.6Very low32.2Very low113 Ų113121 Ų12179%0.7977%0.77SS**  cis66.272.146.1-173.80000114.7
847C29.7Very low32.2Very low109 Ų109121.1 Ų121.174%0.73677%0.771SS**  trans-146.89315839.80000109.1
848T31.5Very low31.8Very low111 Ų111120.6 Ų120.668%0.68176%0.763SS**  73122.993.355.60000114.8S850T848-S850 PolarHBondContact O-N 3.02Å; T848-S850 VanDerWaalsContact O-N 3.16Å
849L27.1Very low31.8Very low180 Ų180122.6 Ų122.694%0.94277%0.77SS**  trans-64.3110.1164.7-69.5107.4000109.8
850S28.7Very low31.2Very low93 Ų93124.8 Ų124.865%0.6577%0.772SS**  trans-101.396.5173.3-67.60000110.8T848 C852T848-S850 PolarHBondContact O-N 3.02Å; T848-S850 VanDerWaalsContact O-N 3.16Å; S850-C852 PolarHBondContact O-N 3.23Å
851T27.3Very low31Very low141 Ų141124.2 Ų124.287%0.86577%0.773SS**  trans-64.5109.5162.646.20000109.6
852C26.9Very low30.8Very low115 Ų115128 Ų12878%0.77778%0.778SS**  trans-112.4113.7174.5-69.40000111.1S850S850-C852 PolarHBondContact O-N 3.23Å
853S27.2Very low30.7Very low98 Ų98128.3 Ų128.369%0.68578%0.776SS**  trans-60.9154.6173.3-57.90000112T855S853-T855 PolarHBondContact O-N 3.01Å
854P31.1Very low30.4Very low130 Ų130129.5 Ų129.584%0.84477%0.772SS**  trans-73.688.3176.330.8-34.9000110.9T856P854-T856 PolarHBondContact O-N 3.07Å
855T30.8Very low30.3Very low133 Ų133129.7 Ų129.782%0.81677%0.774SS**  trans-70.3117.3173.9-49.20000110S853 N857S853-T855 PolarHBondContact O-N 3.01Å; T855-N857 PolarHBondContact O-N 2.89Å
856T29.2Very low30.3Very low115 Ų115132.1 Ų132.171%0.70678%0.778SS**  trans-57.7128.6177.2-45.90000111.2P854P854-T856 PolarHBondContact O-N 3.07Å
857N32Very low30.4Very low156 Ų156131.3 Ų131.383%0.83477%0.771SS**  trans-135.5130.2152.4-153.7-9.4000110T855T855-N857 PolarHBondContact O-N 2.89Å
858N29.5Very low30.4Very low130 Ų130132.6 Ų132.670%0.69578%0.775SS**  trans-89.1125.9-173.7-67.8-52.2000109.5
859N34.8Very low30.4Very low163 Ų163135.7 Ų135.787%0.87278%0.779SS**  trans-139134153.6-111.5-39.9000110.8V861N859-V861 PolarHBondContact O-N 3.36Å
860I29.4Very low30.6Very low151 Ų151138.2 Ų138.277%0.77478%0.776SS**  trans-94.4103.3-161.7-61.4169.6000109.4
861V31.1Very low30.8Very low136 Ų136140.5 Ų140.582%0.82478%0.781SS**  trans-117.6114.6167.7-174.90000108.7N859N859-V861 PolarHBondContact O-N 3.36Å
862K31.8Very low31.1Very low174 Ų174139.4 Ų139.476%0.75778%0.779SS**PPolyproline II helixtrans-69.3133178.5-63.1172.2-178.3172.50109.4I864K862-I864 PolarHBondContact O-N 2.98Å
863P35Very low31.4Very low128 Ų128139.7 Ų139.783%0.83178%0.777SS**PPolyproline II helixtrans-65.4116.5163.627.9-31.8000108.4
864I32.8Very low31.6Very low141 Ų141144.7 Ų144.772%0.72379%0.786SS**PPolyproline II helixtrans-72.6129.5-179.6-65.6172.8000109.1K862 L866K862-I864 PolarHBondContact O-N 2.98Å; I864-L866 PolarHBondContact O-N 2.98Å; I864-L866 VanDerWaalsContact O-N 3.1Å
865S28.7Very low31.5Very low113 Ų113147.7 Ų147.779%0.7978%0.781SS**  trans-62.3108.7175-54.50000110.6
866L33.9Very low31.5Very low144 Ų144146.1 Ų146.175%0.75478%0.782SS**  trans-68.1132.2173.5-72.2173000110.1I864 V868I864-L866 PolarHBondContact O-N 2.98Å; I864-L866 VanDerWaalsContact O-N 3.1Å; L866-V868 PolarHBondContact O-N 3.4Å
867P29.3Very low31.7Very low96 Ų96146.3 Ų146.362%0.62378%0.775SS**  trans-72.3130.7-176.828.5-34.2000111.2K869P867-K869 PolarHBondContact O-N 3.04Å
868V30.3Very low31.9Very low137 Ų137147.6 Ų147.683%0.8377%0.773SS**  trans-70.992.1172.1-1790000109L866 R870L866-V868 PolarHBondContact O-N 3.4Å; V868-R870 PolarHBondContact O-N 3.31Å
869K31.2Very low31.9Very low175 Ų175147.2 Ų147.276%0.76178%0.775SS**  trans-66.9121166.6-80.6-168.7171.8-173.30109.2P867 D871P867-K869 PolarHBondContact O-N 3.04Å; K869-D871 PolarHBondContact O-N 3.01Å
870R30.9Very low32.1Very low234 Ų234146.8 Ų146.888%0.88377%0.771SS**  trans-82.689.5170.6-60.7-179.4-171.1133.4-2.8108.4V868 S872V868-R870 PolarHBondContact O-N 3.31Å; R870-S872 PolarHBondContact O-N 2.78Å; R870-S872 VanDerWaalsContact O-N 3.08Å
871D33.6Very low32.2Very low141 Ų141144.6 Ų144.675%0.75477%0.767SS**  trans-73.5102.9171.9-71.3-27000109.3K869 V873K869-D871 PolarHBondContact O-N 3.01Å; D871-V873 PolarHBondContact O-N 2.9Å
872S33.9Very low32.1Very low118 Ų118149.8 Ų149.883%0.82577%0.772SS**  trans-86.498.2-174.1169.30000111.1R870R870-S872 PolarHBondContact O-N 2.78Å; R870-S872 VanDerWaalsContact O-N 3.08Å
873V32.8Very low32Very low121 Ų121151.8 Ų151.873%0.73377%0.774SS**  trans-132.7104.1174.3-172.90000110.3D871D871-V873 PolarHBondContact O-N 2.9Å
874F32.5Very low31.7Very low202 Ų202150.3 Ų150.389%0.88677%0.767SS**  trans40.685.1163.9-65.6-79.8000119.2
875R29.1Very low31.8Very low194 Ų194150 Ų15073%0.73277%0.766SS**  trans-91.495154.1-170.1-179-161.4-148-2109.5E877R875-E877 HydrophobicContact CG-CG 4.18Å; R875-E877 IonicContact CZ-OE1 3.67Å; R875-E877 IonicContact CZ-OE2 3.31Å; R875-E877 IonicContact NE-OE1 2.68Å; R875-E877 IonicContact NE-OE2 3.25Å; R875-E877 PolarHBondContact NE-OE2 3.33Å; R875-E877 IonicContact NH1-OE1 3.41Å; R875-E877 PolarHBondContact NH1-OE1 2.93Å; R875-E877 VanDerWaalsContact NH1-OE1 3.08Å; R875-E877 IonicContact NH1-OE2 3.31Å; R875-E877 PolarHBondContact NH1-OE2 2.77Å; R875-E877 VanDerWaalsContact NH2-CD 3.34Å; R875-E877 IonicContact NH2-OE1 2.65Å; R875-E877 PolarHBondContact NH2-OE1 2.82Å; R875-E877 IonicContact NH2-OE2 2.68Å; R875-E877 PolarHBondContact O-N 2.79Å
876A30.7Very low31.7Very low100 Ų100153.9 Ų153.983%0.82677%0.772SS**  trans-77.263.7175.500000111.9K878A876-K878 PolarHBondContact O-N 3.3Å
877E32.1Very low31.7Very low119 Ų119150.7 Ų150.756%0.55677%0.766SS**  trans-7391.5169.4-96.1179.9150.100110.3R875 T879R875-E877 HydrophobicContact CG-CG 4.18Å; R875-E877 IonicContact CZ-OE1 3.67Å; R875-E877 IonicContact CZ-OE2 3.31Å; R875-E877 IonicContact NE-OE1 2.68Å; R875-E877 IonicContact NE-OE2 3.25Å; R875-E877 PolarHBondContact NE-OE2 3.33Å; R875-E877 IonicContact NH1-OE1 3.41Å; R875-E877 PolarHBondContact NH1-OE1 2.93Å; R875-E877 VanDerWaalsContact NH1-OE1 3.08Å; R875-E877 IonicContact NH1-OE2 3.31Å; R875-E877 PolarHBondContact NH1-OE2 2.77Å; R875-E877 VanDerWaalsContact NH2-CD 3.34Å; R875-E877 IonicContact NH2-OE1 2.65Å; R875-E877 PolarHBondContact NH2-OE1 2.82Å; R875-E877 IonicContact NH2-OE2 2.68Å; R875-E877 PolarHBondContact O-N 2.79Å; E877-T879 VanDerWaalsContact C-N 3.33Å; E877-T879 PolarHBondContact O-N 3.35Å
878K36.6Very low31.7Very low183 Ų183153 Ų15380%0.79677%0.773SS**  trans-77.687.9166.8-162174-172.5177.20108.5A876 I880A876-K878 PolarHBondContact O-N 3.3Å; K878-I880 PolarHBondContact O-N 3Å
879T30.3Very low31.6Very low122 Ų122152.4 Ų152.475%0.74877%0.765SS**  trans-49.4106.4-178.3-56.70000111.8E877 P881E877-T879 VanDerWaalsContact C-N 3.33Å; E877-T879 PolarHBondContact O-N 3.35Å; T879-P881 VanDerWaalsContact O-CD 3.26Å; T879-P881 WeakPolarHBondContact O-CD 3.35Å
880I37.6Very low31.7Very low154 Ų154151.6 Ų151.679%0.7977%0.769SS**  trans-77.5112.8167.1-59.3177.1000106.9K878 R882K878-I880 PolarHBondContact O-N 3Å; I880-R882 PolarHBondContact O-N 3.23Å; I880-R882 VanDerWaalsContact O-N 3.13Å
881P31.5Very low31.5Very low104 Ų104145.5 Ų145.568%0.67577%0.769SS**  trans-71112.6178.628.9-32.8000109.2T879 R883T879-P881 VanDerWaalsContact O-CD 3.26Å; T879-P881 WeakPolarHBondContact O-CD 3.35Å; P881-R883 VanDerWaalsContact C-N 3.3Å; P881-R883 PolarHBondContact O-N 2.76Å
882R28.9Very low31.6Very low246 Ų246144.8 Ų144.893%0.92877%0.77SS**  trans-61.293.8164.8-81-177171.1166-4.5108.7I880 S884I880-R882 PolarHBondContact O-N 3.23Å; I880-R882 VanDerWaalsContact O-N 3.13Å; R882-S884 PolarHBondContact O-N 2.74Å
883R31.1Very low31.5Very low216 Ų216145.4 Ų145.482%0.81576%0.762SS**  trans-7674.3174.3-166.3-172.7-62.6-175.91.1109.8P881 L885P881-R883 VanDerWaalsContact C-N 3.3Å; P881-R883 PolarHBondContact O-N 2.76Å; R883-L885 HydrophobicContact CG-CB 4.49Å
884S28Very low31.7Very low96 Ų96148.1 Ų148.167%0.67177%0.767SS**  trans-60.1133.7151.1-1780000107.6R882R882-S884 PolarHBondContact O-N 2.74Å
885L35Very low31.9Very low136 Ų136143.9 Ų143.971%0.71275%0.753SS**  trans-144.855.3174.4-151.984.6000110.8R883 A887R883-L885 HydrophobicContact CG-CB 4.49Å; L885-A887 VanDerWaalsContact C-N 3.32Å; L885-A887 HydrophobicContact CG-CB 4.18Å; L885-A887 PolarHBondContact O-N 2.77Å
886E27Very low32.3Very low194 Ų194140.5 Ų140.591%0.90775%0.75SS**  trans-62.899151.9-68.6-168.6132.700107.9
887A33.6Very low32.6Very low76 Ų76141.5 Ų141.563%0.62874%0.741SS**  trans-122.8109.5178.600000109.9L885L885-A887 VanDerWaalsContact C-N 3.32Å; L885-A887 HydrophobicContact CG-CB 4.18Å; L885-A887 PolarHBondContact O-N 2.77Å
888N28.7Very low32.9Very low144 Ų144141.5 Ų141.577%0.7775%0.745SS**  trans-64.6147.9179.5-91.1-43.5000113
889N29.7Very low33Very low126 Ų126138.8 Ų138.867%0.67474%0.739SS**  trans41.3104.5135.2-47.7-20.4000118.3
890N32Very low33.4Very low158 Ų158138.2 Ų138.285%0.84573%0.731SS**  173.3116.8105.3-84.6-20.7000110.5
891A27.9Very low33.4Very low105 Ų105139 Ų13987%0.86873%0.732SS**  trans-106.3114.217400000110
892T34.5Very low33.7Very low127 Ų127139.6 Ų139.678%0.77974%0.739SS**  trans-104.6100.4-179.9-56.40000111.3
893I32.6Very low34Very low130 Ų130135 Ų13567%0.66773%0.731SS**  trans35110.4137.7-50.4171.9000117.4
894H37.1Very low34.3Very low179 Ų179133.6 Ų133.683%0.82973%0.734SS**  -177.7100.5118.3-97.5-71.8000107.6
895N36.1Very low34.6Very low113 Ų113133.9 Ų133.960%0.60474%0.735SS**  87.999.558.9-176.660.4000114.3
896N36.6Very low34.7Very low123 Ų123133.2 Ų133.266%0.65874%0.74SS**  -174.1126.3119.6-101.3-19.6000111.9
897N37.8Very low35.2Very low121 Ų121131.4 Ų131.465%0.64773%0.734SS**  trans56.9136.8133.6-594.4000120.6
898N38.6Very low35.1Very low118 Ų118134.4 Ų134.463%0.63174%0.74SS**  cis-157.6144.12.7-104.2-5.6000111.3
899N39.3Very low35.4Very low126 Ų126134 Ų13467%0.67474%0.743SS**  trans54.9142.7136.1-51.65000120.9
900N37.5Very low35.5Very low110 Ų110133.9 Ų133.959%0.58875%0.752SS**  cis-159152.8-6.8-116.727.7000110.1
901E38.3Very low35.6Very low170 Ų170132.4 Ų132.479%0.79475%0.748SS**  trans56.4145.9141.6-68.3168143.400121.2
902S37.7Very low35.9Very low118 Ų118134.8 Ų134.883%0.82575%0.746SS**  cis-150.3174.21.345.80000112.3
903I35.1Very low35.8Very low148 Ų148134.3 Ų134.376%0.75974%0.738SS**  trans-98.6140.2-165-63.7155000112.2
904Q37.4Very low36.1Very low188 Ų188133.9 Ų133.988%0.87975%0.746SS**  trans-157.7166.3138.9-14277.557.700111.6
905S33.8Very low36.1Very low101 Ų101131.6 Ų131.671%0.70674%0.741SS**  trans-104165.6-156.2-46.50000115.1
906P36.9Very low36.2Very low123 Ų123133.3 Ų133.380%0.79975%0.749SS**  trans-99.5155.2-165.338-35.4000115.7
907I38.2Very low36.4Very low156 Ų156137.2 Ų137.280%0.876%0.761SS**  trans-139.8128.6164.2-62.6-176.8000111
908N32.3Very low37Very low139 Ų139138.5 Ų138.574%0.74377%0.766SS**  trans16.9119.8156.7-50.9-19.9000120.7
909T35Very low37.2Very low136 Ų136144.1 Ų144.183%0.83478%0.778SS**  -178.1132.5105.325.20000111.7
910S31.6Very low37.8Very low122 Ų122142.3 Ų142.385%0.85377%0.772SS**  trans-96.392.5-179.555.70000112.1
911V32.5Very low38.7Very low127 Ų127140.3 Ų140.377%0.7776%0.764SS**  trans-123.283.2172-1740000110
912L35.7Very low39.7Very low156 Ų156140.3 Ų140.382%0.81776%0.761SS**  trans-134.294.9172.8-72.6169.4000107.3
913N32.8Very low41Very low117 Ų117140 Ų14063%0.62675%0.75SS**  56.988.374.2-162.7-9.6000111.2N915N913-N915 PolarHBondContact O-N 3.4Å; N913-N915 PolarHBondContact OD1-ND2 3.08Å
914S37.4Very low42.7Very low120 Ų120136.1 Ų136.184%0.83973%0.731SS**SBendtrans-77.957.4-169.844.90000113.8
915N37.4Very low44.4Very low132 Ų132129.7 Ų129.771%0.70671%0.707SS**  trans-12735.7-177.2-80.9-64.2000114.1N913N913-N915 PolarHBondContact O-N 3.4Å; N913-N915 PolarHBondContact OD1-ND2 3.08Å
916N38.9Very low46.4Very low148 Ų148133.2 Ų133.279%0.79171%0.705SS**  trans-105.992.6175.7-97-33.6000112.8I918N916-I918 PolarHBondContact O-N 3.28Å
917K40.6Very low48.3Very low206 Ų206135 Ų13590%0.89670%0.695SS**  trans-67.497.1169.9-178.2178.4-177.21750109.6R919K917-R919 PolarHBondContact O-N 3.23Å
918I50.8Low50.3Low147 Ų147135.3 Ų135.375%0.75469%0.687SS**  trans-52.4113.7-179.4-61.3176.1000109.6N916 V920N916-I918 PolarHBondContact O-N 3.28Å; I918-V920 VanDerWaalsContact C-N 3.27Å; I918-V920 HydrophobicContact CG2-CG2 4.27Å; I918-V920 PolarHBondContact O-N 2.84Å
919R43.1Very low52.7Low236 Ų236133.8 Ų133.889%0.89168%0.679SS**  trans-84.473.6-179.4-169-174.9-68.4-1541.5109.1K917 T921K917-R919 PolarHBondContact O-N 3.23Å; R919-T921 PolarHBondContact O-N 3.34Å
920V51.7Low54.9Low89 Ų89130.5 Ų130.554%0.53966%0.662SS.*  trans-45.3127177.5-1790000110I918 D924I918-V920 VanDerWaalsContact C-N 3.27Å; I918-V920 HydrophobicContact CG2-CG2 4.27Å; I918-V920 PolarHBondContact O-N 2.84Å; V920-D924 HydrophobicContact CG1-CB 3.89Å
921T55.4Low57.5Low68 Ų68129.2 Ų129.242%0.41764%0.642SS.*  trans-78.7163.4-178.7750000110.9R919 D923 D924 S925R919-T921 PolarHBondContact O-N 3.34Å; T921-D923 PolarHBondContact O-N 3.32Å; T921-D924 VanDerWaalsContact CB-OD2 3.3Å; T921-D924 WeakPolarHBondContact CB-OD2 3.26Å; T921-D924 WeakPolarHBondContact CG2-OD2 3.3Å; T921-D924 PolarHBondContact N-OD2 3.13Å; T921-D924 PolarHBondContact O-N 2.93Å; T921-D924 PolarHBondContact OG1-N 3.21Å; T921-D924 PolarHBondContact OG1-OD2 3.43Å; T921-S925 PolarHBondContact O-N 3.45Å; T921-S925 PolarHBondContact O-OG 2.73Å
922K60.1Low60.2Low169 Ų169127.9 Ų127.974%0.73563%0.63SS**THydrogen-bonded Turntrans-67.2-19.7-179.1-155.2171.4-174.4177.10112.3R926K922-R926 WeakPolarHBondContact O-CG 3.46Å
923D64.7Low62.7Low111 Ų111125.6 Ų125.659%0.59462%0.619SS**THydrogen-bonded Turntrans-92.6-35.1-178.6-58.7-59.9000112.5T921 S925 R926 R927T921-D923 PolarHBondContact O-N 3.32Å; D923-S925 PolarHBondContact O-N 2.78Å; D923-R926 WeakPolarHBondContact O-CB 3.4Å; D923-R926 PolarHBondContact O-N 3.48Å; D923-R927 PolarHBondContact O-N 3.2Å
924D71.6Confident65.4Low68 Ų68123.5 Ų123.536%0.36461%0.613SS.*Hα-helixtrans-54.5-45.8166.6-59.7-49.4000110.4V920 T921 R926 R927 Y928V920-D924 HydrophobicContact CG1-CB 3.89Å; T921-D924 VanDerWaalsContact CB-OD2 3.3Å; T921-D924 WeakPolarHBondContact CB-OD2 3.26Å; T921-D924 WeakPolarHBondContact CG2-OD2 3.3Å; T921-D924 PolarHBondContact N-OD2 3.13Å; T921-D924 PolarHBondContact O-N 2.93Å; T921-D924 PolarHBondContact OG1-N 3.21Å; T921-D924 PolarHBondContact OG1-OD2 3.43Å; D924-R926 PolarHBondContact O-N 2.8Å; D924-R927 WeakPolarHBondContact O-CB 3.3Å; D924-R927 PolarHBondContact O-N 3.08Å; D924-R927 VanDerWaalsContact O-N 3.17Å; D924-Y928 WeakPolarHBondContact O-CD2 3.26Å; D924-Y928 PolarHBondContact O-N 3.41Å
925S72.7Confident68Low52 Ų52121.5 Ų121.536%0.36460%0.596SS.*Hα-helixtrans-58-34.8178-54.50000112.4T921 D923 L929T921-S925 PolarHBondContact O-N 3.45Å; T921-S925 PolarHBondContact O-OG 2.73Å; D923-S925 PolarHBondContact O-N 2.78Å; S925-L929 WeakPolarHBondContact O-CD1 3.47Å; S925-L929 VanDerWaalsContact O-CG 3.31Å; S925-L929 WeakPolarHBondContact O-CG 3.49Å; S925-L929 PolarHBondContact O-N 3.41Å
926R75Confident70.5Confident176 Ų176119.8 Ų119.866%0.66459%0.586SS**Hα-helixtrans-77-38.6177.7-74.7175.9165.8-129.3-8.1112.2K922 D923 D924 L929 S930K922-R926 WeakPolarHBondContact O-CG 3.46Å; D923-R926 WeakPolarHBondContact O-CB 3.4Å; D923-R926 PolarHBondContact O-N 3.48Å; D924-R926 PolarHBondContact O-N 2.8Å; R926-L929 PolarHBondContact O-N 2.87Å; R926-S930 PolarHBondContact O-N 3.16Å; R926-S930 PolarHBondContact O-OG 2.7Å
927R77.6Confident73Confident161 Ų161119.9 Ų119.961%0.60858%0.579SS**Hα-helixtrans-57.6-55.4172.1-87.3-177.7157.6-842.3111.3D923 D924 L929 S930 E931D923-R927 PolarHBondContact O-N 3.2Å; D924-R927 WeakPolarHBondContact O-CB 3.3Å; D924-R927 PolarHBondContact O-N 3.08Å; D924-R927 VanDerWaalsContact O-N 3.17Å; R927-L929 VanDerWaalsContact C-N 3.29Å; R927-L929 PolarHBondContact O-N 2.68Å; R927-S930 PolarHBondContact O-N 2.76Å; R927-S930 PolarHBondContact O-OG 2.65Å; R927-E931 IonicContact NH1-OE1 3.69Å; R927-E931 PolarHBondContact NH1-OE1 3.47Å; R927-E931 WeakPolarHBondContact O-CG 3.26Å; R927-E931 PolarHBondContact O-N 2.92Å
928Y78.8Confident75.3Confident161 Ų161116.1 Ų116.163%0.63156%0.564SS**Hα-helixtrans-56.9-39.9179.9-83.8-68.6000112.9D924 L932D924-Y928 WeakPolarHBondContact O-CD2 3.26Å; D924-Y928 PolarHBondContact O-N 3.41Å; Y928-L932 WeakPolarHBondContact O-CB 3.45Å; Y928-L932 VanDerWaalsContact O-CG 3.26Å; Y928-L932 WeakPolarHBondContact O-CG 3.39Å; Y928-L932 PolarHBondContact O-N 2.84Å
929L82.4Confident77.2Confident107 Ų107114.6 Ų114.656%0.5656%0.557SS**Hα-helixtrans-65.3-45.2174.3-72.4170.2000112.2S925 R926 R927 E931 L932 D933S925-L929 WeakPolarHBondContact O-CD1 3.47Å; S925-L929 VanDerWaalsContact O-CG 3.31Å; S925-L929 WeakPolarHBondContact O-CG 3.49Å; S925-L929 PolarHBondContact O-N 3.41Å; R926-L929 PolarHBondContact O-N 2.87Å; R927-L929 VanDerWaalsContact C-N 3.29Å; R927-L929 PolarHBondContact O-N 2.68Å; L929-E931 VanDerWaalsContact C-N 3.32Å; L929-E931 PolarHBondContact O-N 2.78Å; L929-L932 PolarHBondContact O-N 3.41Å; L929-D933 PolarHBondContact O-N 2.92Å
930S82.7Confident79.4Confident68 Ų68107.2 Ų107.248%0.47654%0.541SS..Hα-helixtrans-66.4-31.6178.165.60000113.8R926 R927 S934R926-S930 PolarHBondContact O-N 3.16Å; R926-S930 PolarHBondContact O-OG 2.7Å; R927-S930 PolarHBondContact O-N 2.76Å; R927-S930 PolarHBondContact O-OG 2.65Å; S930-S934 WeakPolarHBondContact O-CB 3.46Å; S930-S934 PolarHBondContact O-N 3.15Å; S930-S934 VanDerWaalsContact O-N 3.12Å
931E86.2Confident81.2Confident94 Ų94109.1 Ų109.144%0.43954%0.544SS..Hα-helixtrans-73.4-39.6175.1-70.9170.1-157.800110.5R927 L929 S934 V935R927-E931 IonicContact NH1-OE1 3.69Å; R927-E931 PolarHBondContact NH1-OE1 3.47Å; R927-E931 WeakPolarHBondContact O-CG 3.26Å; R927-E931 PolarHBondContact O-N 2.92Å; L929-E931 VanDerWaalsContact C-N 3.32Å; L929-E931 PolarHBondContact O-N 2.78Å; E931-S934 PolarHBondContact O-N 3.36Å; E931-V935 WeakPolarHBondContact O-CG2 3.27Å; E931-V935 PolarHBondContact O-N 3.18Å
932L89.1Confident82.8Confident100 Ų100108.7 Ų108.752%0.52455%0.547SS..Hα-helixtrans-63.4-45.8171.4-75.9168.4000112.6Y928 L929 S934 V935 I936Y928-L932 WeakPolarHBondContact O-CB 3.45Å; Y928-L932 VanDerWaalsContact O-CG 3.26Å; Y928-L932 WeakPolarHBondContact O-CG 3.39Å; Y928-L932 PolarHBondContact O-N 2.84Å; L929-L932 PolarHBondContact O-N 3.41Å; L932-S934 VanDerWaalsContact C-N 3.26Å; L932-S934 PolarHBondContact O-N 3.03Å; L932-V935 PolarHBondContact O-N 2.76Å; L932-V935 VanDerWaalsContact O-N 3.16Å; L932-I936 WeakPolarHBondContact O-CB 3.41Å; L932-I936 VanDerWaalsContact O-CG1 3.26Å; L932-I936 WeakPolarHBondContact O-CG1 3.29Å; L932-I936 PolarHBondContact O-N 2.98Å
933D88Confident84.3Confident108 Ų108105.9 Ų105.958%0.57854%0.54SS*.Hα-helixtrans-59.9-38.1176.2-76.8-23.2000111.5L929 K937L929-D933 PolarHBondContact O-N 2.92Å; D933-K937 WeakPolarHBondContact O-CB 3.37Å; D933-K937 PolarHBondContact O-N 2.87Å
934S90.3Very high85.5Confident73 Ų73107.3 Ų107.351%0.5154%0.544SS..Hα-helixtrans-65.3-43.4174.4-1690000112.3S930 E931 L932 K937 E938S930-S934 WeakPolarHBondContact O-CB 3.46Å; S930-S934 PolarHBondContact O-N 3.15Å; S930-S934 VanDerWaalsContact O-N 3.12Å; E931-S934 PolarHBondContact O-N 3.36Å; L932-S934 VanDerWaalsContact C-N 3.26Å; L932-S934 PolarHBondContact O-N 3.03Å; S934-K937 PolarHBondContact O-N 3.34Å; S934-E938 PolarHBondContact O-N 2.94Å
935V90.3Very high86.4Confident78 Ų78106.7 Ų106.747%0.47355%0.548SS..Hα-helixtrans-68.4-39178.3168.80000111.8E931 L932 K937 E938 L939E931-V935 WeakPolarHBondContact O-CG2 3.27Å; E931-V935 PolarHBondContact O-N 3.18Å; L932-V935 PolarHBondContact O-N 2.76Å; L932-V935 VanDerWaalsContact O-N 3.16Å; V935-K937 VanDerWaalsContact C-N 3.34Å; V935-E938 PolarHBondContact O-N 3.12Å; V935-L939 HydrophobicContact CG1-CD1 4.02Å; V935-L939 WeakPolarHBondContact O-CB 3.49Å; V935-L939 WeakPolarHBondContact O-CG 3.37Å; V935-L939 PolarHBondContact O-N 3.37Å
936I89.9Confident87.1Confident96 Ų96106.6 Ų106.649%0.49255%0.55SS..Hα-helixtrans-61.6-44.2174-70.5164.2000110.1L932 L939 C940L932-I936 WeakPolarHBondContact O-CB 3.41Å; L932-I936 VanDerWaalsContact O-CG1 3.26Å; L932-I936 WeakPolarHBondContact O-CG1 3.29Å; L932-I936 PolarHBondContact O-N 2.98Å; I936-L939 PolarHBondContact O-N 2.75Å; I936-C940 PolarHBondContact O-N 2.97Å; I936-C940 PolarHBondContact O-SG 3.45Å; I936-C940 VanDerWaalsContact O-SG 3.37Å
937K91.6Very high87.8Confident150 Ų150102 Ų10265%0.65254%0.542SS*.Hα-helixtrans-62.2-44.7176.7-173.9179.6177.1-177.30112.3D933 S934 V935 C940 E941D933-K937 WeakPolarHBondContact O-CB 3.37Å; D933-K937 PolarHBondContact O-N 2.87Å; S934-K937 PolarHBondContact O-N 3.34Å; V935-K937 VanDerWaalsContact C-N 3.34Å; K937-C940 PolarHBondContact O-N 2.88Å; K937-E941 PolarHBondContact O-N 3.31Å
938E90Very high88.3Confident126 Ų126100.8 Ų100.859%0.58954%0.543SS*.Hα-helixtrans-63.5-40.1177.4-173170.8163.700111.9S934 V935 E941 A942S934-E938 PolarHBondContact O-N 2.94Å; V935-E938 PolarHBondContact O-N 3.12Å; E938-E941 PolarHBondContact O-N 3.49Å; E938-A942 WeakPolarHBondContact O-CB 3.41Å; E938-A942 PolarHBondContact O-N 3.33Å
939L89.1Confident88.7Confident116 Ų11695.7 Ų95.761%0.60753%0.534SS*.Hα-helixtrans-63.1-40.5173-82.4163.7000112.6V935 I936 N943V935-L939 HydrophobicContact CG1-CD1 4.02Å; V935-L939 WeakPolarHBondContact O-CB 3.49Å; V935-L939 WeakPolarHBondContact O-CG 3.37Å; V935-L939 PolarHBondContact O-N 3.37Å; I936-L939 PolarHBondContact O-N 2.75Å; L939-N943 VanDerWaalsContact O-CB 3.26Å; L939-N943 WeakPolarHBondContact O-CB 3.21Å; L939-N943 PolarHBondContact O-N 3.22Å
940C89.4Confident89Confident81 Ų8195.2 Ų95.255%0.54754%0.536SS..Hα-helixtrans-63.5-46.7174.7-72.80000112I936 K937 N943 E944I936-C940 PolarHBondContact O-N 2.97Å; I936-C940 PolarHBondContact O-SG 3.45Å; I936-C940 VanDerWaalsContact O-SG 3.37Å; K937-C940 PolarHBondContact O-N 2.88Å; C940-N943 PolarHBondContact O-N 3.01Å; C940-E944 PolarHBondContact O-N 2.91Å
941E91.1Very high89.3Confident128 Ų128100 Ų10060%0.59854%0.543SS*.Hα-helixtrans-61.3-44.5178.3-171176.4154.500111.5K937 E938 N943 E944 A945K937-E941 PolarHBondContact O-N 3.31Å; E938-E941 PolarHBondContact O-N 3.49Å; E941-N943 PolarHBondContact O-N 3.03Å; E941-E944 PolarHBondContact O-N 2.94Å; E941-A945 WeakPolarHBondContact O-CB 3.4Å; E941-A945 PolarHBondContact O-N 3.26Å
942A89.3Confident89.3Confident59 Ų5999.7 Ų99.749%0.48854%0.542SS..Hα-helixtrans-64.5-37.5176.100000113E938 A946E938-A942 WeakPolarHBondContact O-CB 3.41Å; E938-A942 PolarHBondContact O-N 3.33Å; A942-A946 WeakPolarHBondContact O-CB 3.49Å; A942-A946 PolarHBondContact O-N 3.49Å
943N90.5Very high88.9Confident111 Ų11196.8 Ų96.859%0.59453%0.532SS*.Hα-helixtrans-73.4-37.9179.6-158.417.3000111.7L939 C940 E941 A946 V947L939-N943 VanDerWaalsContact O-CB 3.26Å; L939-N943 WeakPolarHBondContact O-CB 3.21Å; L939-N943 PolarHBondContact O-N 3.22Å; C940-N943 PolarHBondContact O-N 3.01Å; E941-N943 PolarHBondContact O-N 3.03Å; N943-A946 PolarHBondContact O-N 3.1Å; N943-V947 WeakPolarHBondContact O-CG2 3.44Å; N943-V947 PolarHBondContact O-N 3.02Å
944E90.5Very high88.5Confident141 Ų14194 Ų9466%0.65952%0.524SS*.Hα-helixtrans-62.1-45.2171.2-176.9166.2-157.300111.4C940 E941 A946 V947 Q948C940-E944 PolarHBondContact O-N 2.91Å; E941-E944 PolarHBondContact O-N 2.94Å; E944-A946 VanDerWaalsContact C-N 3.33Å; E944-A946 PolarHBondContact O-N 3.21Å; E944-V947 PolarHBondContact O-N 3.47Å; E944-Q948 WeakPolarHBondContact O-CB 3.42Å; E944-Q948 PolarHBondContact O-N 3.39Å
945A89.5Confident88.2Confident54 Ų5495.4 Ų95.445%0.44652%0.523SS..Hα-helixtrans-60.1-40.5174.800000112.5E941 Q948 A949E941-A945 WeakPolarHBondContact O-CB 3.4Å; E941-A945 PolarHBondContact O-N 3.26Å; A945-Q948 PolarHBondContact O-N 2.86Å; A945-A949 WeakPolarHBondContact O-CB 3.25Å; A945-A949 PolarHBondContact O-N 3.43Å
946A87.4Confident87.8Confident50 Ų5098.1 Ų98.141%0.41352%0.524SS..Hα-helixtrans-64.4-41.7175.400000112.2A942 N943 E944 T950A942-A946 WeakPolarHBondContact O-CB 3.49Å; A942-A946 PolarHBondContact O-N 3.49Å; N943-A946 PolarHBondContact O-N 3.1Å; E944-A946 VanDerWaalsContact C-N 3.33Å; E944-A946 PolarHBondContact O-N 3.21Å; A946-T950 WeakPolarHBondContact O-CB 3.46Å; A946-T950 PolarHBondContact O-N 3.16Å; A946-T950 PolarHBondContact O-OG1 3.2Å
947V89.8Confident87.1Confident81 Ų81101.5 Ų101.549%0.49153%0.531SS..Hα-helixtrans-64.1-40.4174169.80000111.4N943 E944 T950 R951N943-V947 WeakPolarHBondContact O-CG2 3.44Å; N943-V947 PolarHBondContact O-N 3.02Å; E944-V947 PolarHBondContact O-N 3.47Å; V947-T950 PolarHBondContact O-N 3.03Å; V947-R951 WeakPolarHBondContact O-CB 3.42Å; V947-R951 PolarHBondContact O-N 3.24Å
948Q88.8Confident86.1Confident135 Ų135101.8 Ų101.863%0.63153%0.534SS*.Hα-helixtrans-67.5-45.4178.5-170171.55.400111.8E944 A945 T950 R951 E952E944-Q948 WeakPolarHBondContact O-CB 3.42Å; E944-Q948 PolarHBondContact O-N 3.39Å; A945-Q948 PolarHBondContact O-N 2.86Å; Q948-T950 VanDerWaalsContact C-N 3.31Å; Q948-T950 PolarHBondContact O-N 2.98Å; Q948-R951 PolarHBondContact O-N 2.9Å; Q948-E952 WeakPolarHBondContact O-CB 3.42Å; Q948-E952 PolarHBondContact O-N 3.18Å
949A86.2Confident85.2Confident53 Ų53105.7 Ų105.744%0.43855%0.545SS..Hα-helixtrans-60.4-39.117300000112.2A945 E952 A953A945-A949 WeakPolarHBondContact O-CB 3.25Å; A945-A949 PolarHBondContact O-N 3.43Å; A949-E952 PolarHBondContact O-N 2.91Å; A949-A953 VanDerWaalsContact O-CB 3.31Å; A949-A953 WeakPolarHBondContact O-CB 3.42Å; A949-A953 PolarHBondContact O-N 3.22Å
950T88.4Confident84.2Confident98 Ų98106.4 Ų106.460%0.60155%0.549SS*.Hα-helixtrans-64.4-41.4174.8-58.10000111.9A946 V947 Q948 A953 A954A946-T950 WeakPolarHBondContact O-CB 3.46Å; A946-T950 PolarHBondContact O-N 3.16Å; A946-T950 PolarHBondContact O-OG1 3.2Å; V947-T950 PolarHBondContact O-N 3.03Å; Q948-T950 VanDerWaalsContact C-N 3.31Å; Q948-T950 PolarHBondContact O-N 2.98Å; T950-A953 PolarHBondContact O-N 3.28Å; T950-A954 WeakPolarHBondContact O-CB 3.35Å; T950-A954 PolarHBondContact O-N 2.91Å
951R89.4Confident82.2Confident167 Ų167105.5 Ų105.563%0.6355%0.553SS**Hα-helixtrans-64.5-44.8175.4-174-177.2-64.5-173.31.4111.9V947 Q948 A954 Q955V947-R951 WeakPolarHBondContact O-CB 3.42Å; V947-R951 PolarHBondContact O-N 3.24Å; Q948-R951 PolarHBondContact O-N 2.9Å; R951-A954 PolarHBondContact O-N 3Å; R951-Q955 WeakPolarHBondContact O-CG 3.49Å; R951-Q955 PolarHBondContact O-N 3.42Å
952E85.7Confident80Confident89 Ų89109 Ų10942%0.41656%0.561SS.*Hα-helixtrans-64.4-40.4177.8-163-161.9-162.700111.4Q948 A949 Q955 R956Q948-E952 WeakPolarHBondContact O-CB 3.42Å; Q948-E952 PolarHBondContact O-N 3.18Å; A949-E952 PolarHBondContact O-N 2.91Å; E952-Q955 PolarHBondContact O-N 3.03Å; E952-R956 VanDerWaalsContact CD-CZ 3.42Å; E952-R956 VanDerWaalsContact CD-NH2 3.25Å; E952-R956 WeakPolarHBondContact O-CG 3.46Å; E952-R956 PolarHBondContact O-N 3.3Å; E952-R956 IonicContact OE1-CZ 2.82Å; E952-R956 VanDerWaalsContact OE1-CZ 3.31Å; E952-R956 IonicContact OE1-NH1 3.9Å; E952-R956 PolarHBondContact OE1-NH1 3.44Å; E952-R956 IonicContact OE1-NH2 3.57Å; E952-R956 PolarHBondContact OE1-NH2 3.22Å; E952-R956 IonicContact OE2-CZ 3.01Å; E952-R956 IonicContact OE2-NH1 2.79Å; E952-R956 PolarHBondContact OE2-NH1 3.2Å; E952-R956 IonicContact OE2-NH2 2.78Å
953A81.6Confident77.9Confident39 Ų39111 Ų11132%0.32257%0.571SS.*Hα-helixtrans-64.6-37.7173.800000112.6A949 T950 R956 R957A949-A953 VanDerWaalsContact O-CB 3.31Å; A949-A953 WeakPolarHBondContact O-CB 3.42Å; A949-A953 PolarHBondContact O-N 3.22Å; T950-A953 PolarHBondContact O-N 3.28Å; A953-R956 PolarHBondContact O-N 3.15Å; A953-R957 WeakPolarHBondContact O-CG 3.44Å; A953-R957 PolarHBondContact O-N 2.88Å; A953-R957 VanDerWaalsContact O-N 3.07Å
954A80.3Confident75.6Confident49 Ų49111.3 Ų111.341%0.40558%0.582SS.*Hα-helixtrans-65.5-43173.700000112T950 R951 R957 Q958T950-A954 WeakPolarHBondContact O-CB 3.35Å; T950-A954 PolarHBondContact O-N 2.91Å; R951-A954 PolarHBondContact O-N 3Å; A954-R957 PolarHBondContact O-N 3.34Å; A954-Q958 PolarHBondContact O-N 2.99Å; A954-Q958 VanDerWaalsContact O-N 3.14Å
955Q83.9Confident73.3Confident103 Ų103110.3 Ų110.348%0.48159%0.586SS.*Hα-helixtrans-61-46.3173.6-73.3174.5-26.500111.6R951 E952 R957 Q958 Y959R951-Q955 WeakPolarHBondContact O-CG 3.49Å; R951-Q955 PolarHBondContact O-N 3.42Å; E952-Q955 PolarHBondContact O-N 3.03Å; Q955-R957 VanDerWaalsContact C-N 3.28Å; Q955-R957 PolarHBondContact O-N 3.37Å; Q955-Q958 PolarHBondContact O-N 3.09Å; Q955-Q958 VanDerWaalsContact O-N 3.1Å; Q955-Y959 VanDerWaalsContact O-CD2 3.3Å; Q955-Y959 WeakPolarHBondContact O-CD2 3.43Å; Q955-Y959 PolarHBondContact O-N 3.09Å
956R81.6Confident70.9Confident135 Ų135113.7 Ų113.751%0.50960%0.601SS.*Hα-helixtrans-57.1-38.6174.8-75.6-173.6178.6106.210.7112.6E952 A953 Y959 L960E952-R956 VanDerWaalsContact CD-CZ 3.42Å; E952-R956 VanDerWaalsContact CD-NH2 3.25Å; E952-R956 WeakPolarHBondContact O-CG 3.46Å; E952-R956 PolarHBondContact O-N 3.3Å; E952-R956 IonicContact OE1-CZ 2.82Å; E952-R956 VanDerWaalsContact OE1-CZ 3.31Å; E952-R956 IonicContact OE1-NH1 3.9Å; E952-R956 PolarHBondContact OE1-NH1 3.44Å; E952-R956 IonicContact OE1-NH2 3.57Å; E952-R956 PolarHBondContact OE1-NH2 3.22Å; E952-R956 IonicContact OE2-CZ 3.01Å; E952-R956 IonicContact OE2-NH1 2.79Å; E952-R956 PolarHBondContact OE2-NH1 3.2Å; E952-R956 IonicContact OE2-NH2 2.78Å; A953-R956 PolarHBondContact O-N 3.15Å; R956-Y959 PolarHBondContact O-N 3.02Å; R956-L960 WeakPolarHBondContact O-CB 3.25Å; R956-L960 VanDerWaalsContact O-CG 3.29Å; R956-L960 WeakPolarHBondContact O-CG 3.42Å; R956-L960 PolarHBondContact O-N 3.39Å
957R74.2Confident68.3Low167 Ų167118.8 Ų118.863%0.6362%0.622SS**Hα-helixtrans-65.1-38.1175.7-73.7171-179.2172.61.5112.7A953 A954 Q955 L960 G961 W962A953-R957 WeakPolarHBondContact O-CG 3.44Å; A953-R957 PolarHBondContact O-N 2.88Å; A953-R957 VanDerWaalsContact O-N 3.07Å; A954-R957 PolarHBondContact O-N 3.34Å; Q955-R957 VanDerWaalsContact C-N 3.28Å; Q955-R957 PolarHBondContact O-N 3.37Å; R957-L960 PolarHBondContact O-N 2.85Å; R957-G961 PolarHBondContact O-N 3.1Å; R957-W962 PolarHBondContact O-N 2.94Å
958Q72.3Confident65.7Low155 Ų155120 Ų12072%0.72463%0.634SS**Hα-helixtrans-66-46.7173.9-70.4-176.9-17.500111.7A954 Q955 L960 G961A954-Q958 PolarHBondContact O-N 2.99Å; A954-Q958 VanDerWaalsContact O-N 3.14Å; Q955-Q958 PolarHBondContact O-N 3.09Å; Q955-Q958 VanDerWaalsContact O-N 3.1Å; Q958-L960 PolarHBondContact O-N 3.2Å; Q958-G961 PolarHBondContact O-N 3.03Å; Q958-G961 VanDerWaalsContact O-N 3.07Å
959Y70.5Confident63Low209 Ų209122.2 Ų122.282%0.8264%0.644SS**Hα-helixtrans-61.8-28.6175.4-79.9-69.9000113.8Q955 R956 G961Q955-Y959 VanDerWaalsContact O-CD2 3.3Å; Q955-Y959 WeakPolarHBondContact O-CD2 3.43Å; Q955-Y959 PolarHBondContact O-N 3.09Å; R956-Y959 PolarHBondContact O-N 3.02Å; Y959-G961 VanDerWaalsContact C-N 3.3Å
960L66.8Low60.6Low130 Ų130128 Ų12868%0.68167%0.667SS**THydrogen-bonded Turntrans-85.55.8176.4-71168.5000114R956 R957 Q958 W962R956-L960 WeakPolarHBondContact O-CB 3.25Å; R956-L960 VanDerWaalsContact O-CG 3.29Å; R956-L960 WeakPolarHBondContact O-CG 3.42Å; R956-L960 PolarHBondContact O-N 3.39Å; R957-L960 PolarHBondContact O-N 2.85Å; Q958-L960 PolarHBondContact O-N 3.2Å; L960-W962 PolarHBondContact O-N 3.22Å
961G49.2Very low57.9Low62 Ų62131.6 Ų131.664%0.63967%0.674SS**THydrogen-bonded Turntrans74.719.4172.600000115.4R957 Q958 Y959 S963R957-G961 PolarHBondContact O-N 3.1Å; Q958-G961 PolarHBondContact O-N 3.03Å; Q958-G961 VanDerWaalsContact O-N 3.07Å; Y959-G961 VanDerWaalsContact C-N 3.3Å; G961-S963 PolarHBondContact O-N 3.09Å; G961-S963 VanDerWaalsContact O-N 3.11Å
962W44.4Very low55.3Low203 Ų203131.9 Ų131.977%0.76969%0.687SS**  trans-79.193.4175.8-75.350.7000109.5R957 L960 S964R957-W962 PolarHBondContact O-N 2.94Å; L960-W962 PolarHBondContact O-N 3.22Å; W962-S964 PolarHBondContact O-N 3.25Å
963S43.9Very low53Low100 Ų100133 Ų13370%0.69970%0.7SS**  trans-66.3117.2-179.250.30000111.9G961 T965G961-S963 PolarHBondContact O-N 3.09Å; G961-S963 VanDerWaalsContact O-N 3.11Å; S963-T965 PolarHBondContact O-N 3.23Å
964S43.8Very low50.5Low118 Ų118136.9 Ų136.983%0.82573%0.725SS**  trans-78.359-179.9-172.60000112.6W962 T966W962-S964 PolarHBondContact O-N 3.25Å; S964-T966 PolarHBondContact O-N 3.35Å
965T42.2Very low48.6Very low119 Ų119141.1 Ų141.173%0.7375%0.746SS**  trans-87.881.3-174.1-50.40000112.2S963S963-T965 PolarHBondContact O-N 3.23Å
966T37.7Very low46.1Very low126 Ų126143.7 Ų143.777%0.77376%0.763SS**  trans-135.185.1163.3400000110.2S964S964-T966 PolarHBondContact O-N 3.35Å
967N34.1Very low44Very low157 Ų157145.4 Ų145.484%0.8478%0.777SS**  trans-155.8154.2168.7-136.2-39.1000111.3
968S35.3Very low42.2Very low107 Ų107142 Ų14275%0.74878%0.776SS**SBendtrans62.5117.3-178.964.30000119
969Q32.6Very low40.6Very low181 Ų181142.2 Ų142.285%0.84678%0.782SS**  trans14.8120.1149.1-59.7-179.7-2.900120.1
970L35.3Very low39Very low175 Ų175138.8 Ų138.892%0.91678%0.777SS**  trans-100.997.7149-80.9172.9000110L972L970-L972 PolarHBondContact O-N 3.17Å
971K31.3Very low37.7Very low173 Ų173139.3 Ų139.375%0.75278%0.78SS**  trans-82.798173.6-178.8-179.3178179.60109.5T973K971-T973 PolarHBondContact O-N 3.36Å
972L35.1Very low37.1Very low172 Ų172142 Ų14290%0.90179%0.786SS**  trans-76.5117.4174-74168.2000110.6L970L970-L972 PolarHBondContact O-N 3.17Å
973T36.1Very low36.8Very low113 Ų113139.2 Ų139.269%0.69379%0.785SS**  trans-110.1125.3168.749.70000109.4K971K971-T973 PolarHBondContact O-N 3.36Å
974S30.1Very low36.7Very low120 Ų120140.2 Ų140.284%0.83979%0.788SS**  trans-86.4137.9178.449.90000112.4
975T39.5Very low36.3Very low139 Ų139139.8 Ų139.885%0.85379%0.785SS**  trans-146.1124.4161.346.80000109.3
976N32.9Very low36.1Very low156 Ų156138.3 Ų138.383%0.83478%0.78SS**  trans-73.9148.7164.2-69.4-37.3000109.8
977E37.7Very low36.1Very low171 Ų171137.9 Ų137.980%0.79978%0.778SS**  -179.7140.5121.3-97.3-61.995.100109.7
978P36Very low36.3Very low95 Ų95137.7 Ų137.762%0.61778%0.777SS**  trans-92.8150.1177.136.1-31.9000112.1
979N38.9Very low36.5Very low160 Ų160141 Ų14186%0.85681%0.81SS**  trans-153.1162.1157.6-122.5-61.1000113.9
980I37.1Very low36.7Very low137 Ų137139 Ų13970%0.70381%0.808SS**  trans-125119.2-147.4-68.2167.3000113
981L38.1Very low36.8Very low141 Ų141137.1 Ų137.174%0.73880%0.802SS**  trans61.5170.4154.4-77.1171.6000116.7I983L981-I983 HydrophobicContact CD2-CG1 4.36Å
982P36.6Very low37.1Very low118 Ų118135.1 Ų135.177%0.76681%0.805SS**  cis-128.7173.317.742.3-25.6000118.1
983I38.5Very low37.2Very low146 Ų146132.9 Ų132.975%0.74980%0.8SS**PPolyproline II helixtrans-99132.1173-60164.6000109.2L981L981-I983 HydrophobicContact CD2-CG1 4.36Å
984P41.9Very low37.3Very low120 Ų120134.1 Ų134.178%0.77981%0.806SS**PPolyproline II helixtrans-91.8126.6157.232.8-27.2000110.9
985S34.9Very low37.7Very low109 Ų109135.1 Ų135.176%0.76280%0.804SS**PPolyproline II helixtrans-72.9173.3161.556.70000109.6
986S38.5Very low37.6Very low88 Ų88134.8 Ų134.862%0.61580%0.8SS**  cis-170.1161.528.8550000111.7
987T38.3Very low38Very low118 Ų118133.2 Ų133.272%0.72480%0.798SS**  trans59.7150.8148.349.10000119.4
988N38.2Very low38Very low153 Ų153130 Ų13082%0.81880%0.798SS**  cis-154.5172.89.5-129.2-11.9000110.9
989A39.2Very low38.2Very low175 Ų175133.2 Ų133.2100%1.44681%0.814SS**  trans78.40-177.500000115.4

Retrieved 989 of 989 residues in 1035.9 ms (Link to these results)

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