A0A5K4EUB1_SCHMA Loading...

C2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EUB1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 718 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
1M37.3Very low66.6Low248 Ų248105.4 Ų105.4100%1.22255%0.549SS*.  0144.30-72.1175.616900108.5
2L34.2Very low69Low174 Ų17496.6 Ų96.691%0.91150%0.504SS*.PPolyproline II helixtrans-70.3139.6168.6-69166000108.7
3A41.5Very low71Confident81 Ų8189.2 Ų89.267%0.66947%0.465SS*.PPolyproline II helixtrans-65.7137.4167.900000108.7N5A3-N5 PolarHBondContact O-N 3.47Å
4P49.3Very low72.9Confident112 Ų11282.9 Ų82.973%0.72743%0.432SS*.PPolyproline II helixtrans-61.5138.4173.927.2-33.9000109.2I6P4-I6 PolarHBondContact O-N 2.61Å
5N58.7Low74.5Confident111 Ų11181.3 Ų81.359%0.59442%0.418SS*.PPolyproline II helixtrans-55.4116.2174.4-884.6000109.1A3 R7 E148A3-N5 PolarHBondContact O-N 3.47Å; N5-R7 VanDerWaalsContact C-N 3.28Å; N5-R7 PolarHBondContact O-N 2.75Å; N5-E148 WeakPolarHBondContact CB-OE1 3.42Å; N5-E148 PolarHBondContact ND2-OE1 3.39Å; N5-E148 PolarHBondContact ND2-OE2 3.28Å
6I68.5Low75.9Confident113 Ų11376.3 Ų76.358%0.57939%0.392SS*.  trans-74.785.3-176.2-59.4172.3000108P4 H8 V99P4-I6 PolarHBondContact O-N 2.61Å; I6-H8 PolarHBondContact O-N 3.24Å; I6-V99 HydrophobicContact CG2-CB 4.35Å; I6-V99 HydrophobicContact CG2-CG1 3.57Å
7R79.6Confident77.2Confident152 Ų15276.7 Ų76.757%0.57439%0.388SS*.  trans-70.3111.1177.9-67-174.4174.3179.70.9109.4N5 Y145 E148N5-R7 VanDerWaalsContact C-N 3.28Å; N5-R7 PolarHBondContact O-N 2.75Å; R7-Y145 HydrophobicContact CB-CD1 3.47Å; R7-Y145 VanDerWaalsContact CB-CD1 3.47Å; R7-Y145 HydrophobicContact CB-CE1 3.92Å; R7-Y145 HydrophobicContact CB-CG 4.02Å; R7-Y145 WeakPolarHBondContact O-CD1 3.3Å; R7-Y145 WeakPolarHBondContact O-CE1 3.45Å; R7-E148 IonicContact NE-OE1 3.83Å
8H87.1Confident78.3Confident53 Ų5375.3 Ų75.325%0.24538%0.379CS..  trans-77.1131.4174.8-63.1-69.3000110.3I6 R75 R146I6-H8 PolarHBondContact O-N 3.24Å; H8-R75 HydrophobicContact CB-CB 4.42Å; H8-R75 HydrophobicContact CB-CG 4.07Å; H8-R146 PolarHBondContact O-N 3.39Å
9P91.7Very high79.3Confident4 Ų471.4 Ų71.43%0.02636%0.359CS..EExtended strand (participates in β ladder)trans-60.1149.217325.3-34.7000111.1V12 I72 G98 V142 R146P9-V12 HydrophobicContact CB-CG2 3.67Å; P9-V12 HydrophobicContact CG-CG2 4.33Å; P9-I72 HydrophobicContact CB-CD1 4.24Å; P9-I72 HydrophobicContact CG-CD1 3.92Å; P9-G98 WeakPolarHBondContact CD-O 3.34Å; P9-G98 VanDerWaalsContact CG-O 3.32Å; P9-G98 WeakPolarHBondContact CG-O 3.09Å; P9-V142 HydrophobicContact CB-CG1 3.8Å; P9-V142 HydrophobicContact CB-CG2 3.92Å; P9-R146 PolarHBondContact O-NH1 3.07Å
10K91.4Very high80Confident73 Ų7370.2 Ų70.232%0.31735%0.353SS..EExtended strand (participates in β ladder)trans-108.6-44169.5-176.3176.4162.4-137.60109.9K71 I72 E144 R146K10-K71 CarbonylContact O-C 3.53Å; K10-K71 VanDerWaalsContact O-CA 3.24Å; K10-K71 WeakPolarHBondContact O-CA 3.39Å; K10-I72 PolarHBondContact O-N 2.97Å; K10-E144 WeakPolarHBondContact CA-O 3.45Å; K10-E144 HydrophobicContact CB-CB 4.43Å; K10-E144 WeakPolarHBondContact CB-O 3.39Å; K10-E144 HydrophobicContact CD-CG 4.46Å; K10-E144 WeakPolarHBondContact CD-OE1 3.43Å; K10-E144 WeakPolarHBondContact CD-OE2 3.39Å; K10-E144 WeakPolarHBondContact CE-OE2 3.45Å; K10-E144 PolarHBondContact N-O 2.84Å; K10-E144 IonicContact NZ-OE1 3.33Å; K10-E144 PolarHBondContact NZ-OE1 3.21Å; K10-E144 IonicContact NZ-OE2 2.65Å; K10-E144 PolarHBondContact NZ-OE2 2.72Å; K10-R146 HydrophobicContact CB-CG 3.65Å; K10-R146 HydrophobicContact CG-CG 4.19Å
11E93.6Very high80.6Confident38 Ų3870.9 Ų70.918%0.17836%0.358CS..EExtended strand (participates in β ladder)trans-133.7134.4-179.1-172.4133.8-125.100110.1T69 F70 K71 E143 E144E11-T69 HydrophobicContact CG-CG2 3.57Å; E11-F70 WeakPolarHBondContact CA-O 3.42Å; E11-K71 HydrophobicContact CB-CG 4.32Å; E11-K71 HydrophobicContact CG-CG 4.27Å; E11-K71 WeakPolarHBondContact OE1-CE 3.4Å; E11-K71 WeakPolarHBondContact OE1-CG 3.33Å; E11-K71 WeakPolarHBondContact OE2-CE 3.19Å; E11-K71 IonicContact OE2-NZ 3.68Å; E11-E143 HydrophobicContact CB-CB 4.31Å; E11-E143 HydrophobicContact CG-CB 4.13Å; E11-E143 PolarHBondContact O-N 2.88Å; E11-E144 HydrophobicContact CB-CB 3.97Å; E11-E144 PolarHBondContact N-O 2.94Å; E11-E144 PolarHBondContact O-N 2.61Å
12V95Very high83.2Confident0 Ų059.3 Ų59.30%030%0.3CS..EExtended strand (participates in β ladder)trans-135.8139.6-173.3169.60000109.2P9 V14 T69 F70 I72 V79 I101 I140 W141 V142P9-V12 HydrophobicContact CB-CG2 3.67Å; P9-V12 HydrophobicContact CG-CG2 4.33Å; V12-V14 HydrophobicContact CG1-CG2 4.3Å; V12-T69 WeakPolarHBondContact O-CA 3.23Å; V12-F70 PolarHBondContact N-O 2.86Å; V12-F70 PolarHBondContact O-N 3Å; V12-I72 HydrophobicContact CB-CD1 4.21Å; V12-I72 HydrophobicContact CG2-CD1 3.57Å; V12-I72 HydrophobicContact CG2-CG1 4.38Å; V12-V79 HydrophobicContact CG1-CG2 4.43Å; V12-I101 HydrophobicContact CG1-CD1 4.18Å; V12-I101 HydrophobicContact CG1-CG2 4.42Å; V12-I101 HydrophobicContact CG2-CD1 4.07Å; V12-I140 HydrophobicContact CG1-CD1 3.98Å; V12-I140 HydrophobicContact CG1-CG1 3.66Å; V12-W141 WeakPolarHBondContact CA-O 3.35Å; V12-W141 WeakPolarHBondContact CG1-O 3.19Å; V12-V142 HydrophobicContact CG2-CG2 4.38Å
13T95.7Very high85.7Confident1 Ų155.8 Ų55.81%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-103.5136.5169.2-55.80000109.6E67 T68 T69 I140 W141 E143T13-E67 HydrophobicContact CG2-CG 3.78Å; T13-T68 WeakPolarHBondContact CA-O 3.1Å; T13-T69 WeakPolarHBondContact OG1-CG2 3.34Å; T13-T69 PolarHBondContact OG1-OG1 2.74Å; T13-I140 WeakPolarHBondContact O-CA 3.48Å; T13-W141 HydrophobicContact CG2-CH2 3.87Å; T13-W141 HydrophobicContact CG2-CZ2 3.41Å; T13-W141 VanDerWaalsContact CG2-CZ2 3.41Å; T13-W141 PolarHBondContact N-O 3.3Å; T13-W141 PolarHBondContact O-N 2.7Å; T13-E143 WeakPolarHBondContact OG1-CG 3.48Å; T13-E143 PolarHBondContact OG1-OE1 3.28Å
14V96.7Very high87.7Confident0 Ų053.5 Ų53.50%025%0.253CS..EExtended strand (participates in β ladder)trans-123.3130.6173.5176.30000108.2V12 V16 I43 E67 T68 F70 V79 L81 W139 I140V12-V14 HydrophobicContact CG1-CG2 4.3Å; V14-V16 HydrophobicContact CG1-CG2 3.86Å; V14-I43 HydrophobicContact CB-CD1 4.32Å; V14-I43 HydrophobicContact CG1-CD1 4.06Å; V14-I43 HydrophobicContact CG2-CG2 4.35Å; V14-E67 WeakPolarHBondContact O-CA 3.33Å; V14-T68 PolarHBondContact N-O 2.9Å; V14-T68 PolarHBondContact O-N 2.73Å; V14-F70 HydrophobicContact CB-CE1 4.39Å; V14-F70 HydrophobicContact CG2-CE1 3.7Å; V14-F70 HydrophobicContact CG2-CZ 4.1Å; V14-V79 HydrophobicContact CG2-CG1 4.06Å; V14-L81 HydrophobicContact CG1-CD2 3.88Å; V14-W139 WeakPolarHBondContact CA-O 3.45Å; V14-I140 HydrophobicContact CG2-CD1 3.78Å; V14-I140 HydrophobicContact CG2-CG1 3.79Å
15R96.8Very high88.9Confident60 Ų6049.3 Ų49.323%0.22623%0.227CC..EExtended strand (participates in β ladder)trans-114.2107.7166.9-170.7-175.1-167.9119.6-6.5110.1N65 F66 E67 T113 F138 W139R15-N65 PolarHBondContact NE-OD1 2.83Å; R15-N65 PolarHBondContact NH2-OD1 2.87Å; R15-F66 CarbonylContact C-O 3.57Å; R15-F66 VanDerWaalsContact CA-O 3.31Å; R15-F66 WeakPolarHBondContact CA-O 3.46Å; R15-E67 HydrophobicContact CB-CB 4.25Å; R15-E67 HydrophobicContact CB-CG 3.99Å; R15-E67 VanDerWaalsContact CD-OE2 3.23Å; R15-E67 WeakPolarHBondContact CD-OE2 3.15Å; R15-E67 HydrophobicContact CG-CB 4.05Å; R15-E67 HydrophobicContact CG-CG 4.26Å; R15-E67 IonicContact CZ-OE2 2.73Å; R15-E67 IonicContact NE-OE2 2.9Å; R15-E67 IonicContact NH1-OE2 2.65Å; R15-E67 PolarHBondContact NH1-OE2 3.24Å; R15-T113 VanDerWaalsContact CD-CG2 3.42Å; R15-F138 CarbonylContact O-C 3.53Å; R15-F138 WeakPolarHBondContact O-CA 3.5Å; R15-F138 WeakPolarHBondContact O-CB 3.2Å; R15-W139 HydrophobicContact CB-CB 4.36Å; R15-W139 HydrophobicContact CB-CE3 4.21Å; R15-W139 HydrophobicContact CG-CE3 4.14Å; R15-W139 PolarHBondContact N-O 3.08Å; R15-W139 PolarHBondContact O-N 3.01Å
16V97.3Very high89.2Confident0 Ų050.1 Ų50.10%024%0.239CC..EExtended strand (participates in β ladder)trans-85.2110.7175.8-176.50000108.5V14 C41 I43 W64 N65 F66 L136V14-V16 HydrophobicContact CG1-CG2 3.86Å; V16-C41 HydrophobicContact CG1-CB 3.96Å; V16-I43 HydrophobicContact CG2-CD1 3.83Å; V16-I43 HydrophobicContact CG2-CG1 4.19Å; V16-W64 HydrophobicContact CG1-CD2 4.48Å; V16-W64 HydrophobicContact CG1-CE3 3.71Å; V16-W64 HydrophobicContact CG1-CZ3 4.12Å; V16-N65 CarbonylContact O-C 3.53Å; V16-N65 WeakPolarHBondContact O-CA 3.1Å; V16-N65 PolarHBondContact O-N 2.81Å; V16-N65 VanDerWaalsContact O-N 3.16Å; V16-F66 PolarHBondContact N-O 2.76Å; V16-F66 PolarHBondContact O-N 3.38Å; V16-L136 HydrophobicContact CG1-CD1 3.93Å
17Y97.2Very high89Confident84 Ų8452.4 Ų52.433%0.32924%0.24SC..EExtended strand (participates in β ladder)trans-85.1-69.6-174-179-152.7000111.8V63 W64 N65 Y137 W139Y17-V63 HydrophobicContact CD2-CG1 4.29Å; Y17-V63 HydrophobicContact CE2-CG1 4.12Å; Y17-W64 PolarHBondContact O-N 2.89Å; Y17-N65 PolarHBondContact O-N 2.86Å; Y17-Y137 WeakPolarHBondContact CA-O 3.48Å; Y17-Y137 WeakPolarHBondContact CB-O 3.25Å; Y17-Y137 PolarHBondContact N-O 3.14Å; Y17-W139 AromaticContact CD1-CH2 3.92Å; Y17-W139 HydrophobicContact CD1-CH2 3.92Å; Y17-W139 HydrophobicContact CD1-CZ3 4.05Å; Y17-W139 HydrophobicContact CE1-CH2 4.44Å; Y17-W139 HydrophobicContact CG-CH2 4.16Å; Y17-W139 AromaticContact CG-CZ3 3.84Å; Y17-W139 HydrophobicContact CG-CZ3 3.84Å
18K97Very high87.9Confident52 Ų5250.7 Ų50.723%0.22625%0.251CS..EExtended strand (participates in β ladder)trans-150.9167.4-177.965.3164.5175.2165.80111.4E20 P62 V63 Y137K18-E20 WeakPolarHBondContact CE-OE1 3.36Å; K18-E20 IonicContact NZ-OE1 3.67Å; K18-E20 PolarHBondContact NZ-OE1 3.39Å; K18-P62 CarbonylContact C-O 3.56Å; K18-P62 WeakPolarHBondContact CA-O 3.43Å; K18-P62 WeakPolarHBondContact CB-O 3.39Å; K18-V63 HydrophobicContact CB-CB 4.3Å; K18-V63 HydrophobicContact CB-CG1 4.39Å; K18-V63 HydrophobicContact CB-CG2 3.93Å; K18-Y137 HydrophobicContact CG-CD2 4Å; K18-Y137 HydrophobicContact CG-CG 3.93Å; K18-Y137 PolarHBondContact N-O 3.48Å; K18-Y137 WeakPolarHBondContact O-CB 3.29Å; K18-Y137 PolarHBondContact O-N 3.19Å
19A97.2Very high86.5Confident0 Ų052.1 Ų52.10%026%0.261CS..EExtended strand (participates in β ladder)trans-122165.4161.800000111.2L22 N61 P62 W64 R135 L136A19-L22 HydrophobicContact CB-CD1 3.73Å; A19-L22 HydrophobicContact CB-CD2 3.7Å; A19-L22 HydrophobicContact CB-CG 3.65Å; A19-N61 CarbonylContact O-C 3.55Å; A19-N61 VanDerWaalsContact O-CA 3.28Å; A19-N61 WeakPolarHBondContact O-CA 3.46Å; A19-P62 HydrophobicContact CB-CG 4.15Å; A19-P62 PolarHBondContact N-O 2.81Å; A19-W64 HydrophobicContact CB-CH2 3.97Å; A19-W64 HydrophobicContact CB-CZ3 3.76Å; A19-R135 CarbonylContact C-O 3.57Å; A19-R135 WeakPolarHBondContact CA-O 3.01Å; A19-R135 VanDerWaalsContact CB-O 3.29Å; A19-R135 WeakPolarHBondContact CB-O 3.39Å; A19-L136 HydrophobicContact CB-CD1 4.06Å
20E94.9Very high84.5Confident47 Ų4761.1 Ų61.122%0.2230%0.302CS..EExtended strand (participates in β ladder)trans-134.7142175.9-66.4179.2-176.100110.6K18 L22 N61 G134 R135 Y137K18-E20 WeakPolarHBondContact CE-OE1 3.36Å; K18-E20 IonicContact NZ-OE1 3.67Å; K18-E20 PolarHBondContact NZ-OE1 3.39Å; E20-L22 VanDerWaalsContact C-N 3.29Å; E20-L22 PolarHBondContact O-N 3.2Å; E20-N61 VanDerWaalsContact CA-OD1 3.25Å; E20-N61 WeakPolarHBondContact CA-OD1 3.4Å; E20-G134 CarbonylContact O-C 3.57Å; E20-G134 WeakPolarHBondContact O-CA 3.42Å; E20-R135 PolarHBondContact N-O 2.61Å; E20-R135 PolarHBondContact O-N 3.41Å; E20-Y137 HydrophobicContact CB-CE2 4.24Å; E20-Y137 HydrophobicContact CG-CD2 4.42Å; E20-Y137 HydrophobicContact CG-CE2 3.76Å; E20-Y137 PolarHBondContact OE2-OH 3.23Å; E20-Y137 VanDerWaalsContact OE2-OH 3.07Å
21N91.4Very high82.9Confident86 Ų8665.8 Ų65.846%0.4632%0.323SS..SBendtrans55.434.9177-67-82.1000114.9G60 N61 G134N21-G60 PolarHBondContact N-O 2.88Å; N21-N61 PolarHBondContact N-OD1 2.94Å; N21-G134 WeakPolarHBondContact O-CA 3.19Å; N21-G134 PolarHBondContact O-N 2.84Å
22L91.8Very high80.7Confident4 Ų473.7 Ų73.72%0.02136%0.36CS..  trans-63.5132.9172.8-63.8-174.7000111.4A19 E20 W39 G60 P62 W64 V83 V91A19-L22 HydrophobicContact CB-CD1 3.73Å; A19-L22 HydrophobicContact CB-CD2 3.7Å; A19-L22 HydrophobicContact CB-CG 3.65Å; E20-L22 VanDerWaalsContact C-N 3.29Å; E20-L22 PolarHBondContact O-N 3.2Å; L22-W39 HydrophobicContact CB-CD2 4.25Å; L22-W39 HydrophobicContact CB-CE3 4.23Å; L22-W39 HydrophobicContact CB-CH2 4.15Å; L22-W39 HydrophobicContact CB-CZ2 4.16Å; L22-W39 HydrophobicContact CB-CZ3 4.2Å; L22-W39 HydrophobicContact CD1-CB 4.11Å; L22-W39 HydrophobicContact CD1-CD2 3.87Å; L22-W39 HydrophobicContact CD1-CE3 4.07Å; L22-W39 HydrophobicContact CD1-CG 3.92Å; L22-G60 WeakPolarHBondContact CB-O 3.21Å; L22-G60 WeakPolarHBondContact CG-O 3.35Å; L22-G60 PolarHBondContact N-O 3.15Å; L22-P62 HydrophobicContact CD1-CG 3.53Å; L22-W64 HydrophobicContact CD1-CH2 4.11Å; L22-V83 HydrophobicContact CD1-CG1 3.62Å; L22-V83 HydrophobicContact CD2-CG1 3.88Å; L22-V83 HydrophobicContact CG-CG1 4.41Å; L22-V91 HydrophobicContact CB-CG1 4.09Å; L22-V91 HydrophobicContact CD2-CG1 3.75Å; L22-V91 HydrophobicContact CG-CG1 4.46Å
23R86.7Confident78.9Confident101 Ų10179.9 Ų79.938%0.38139%0.386SS..  trans-144.6133.3174.1-59.1-174-176.1-159.20.1110V91 F133 L373R23-V91 WeakPolarHBondContact O-CG1 3.38Å; R23-F133 HydrophobicContact CB-CB 4.03Å; R23-F133 HydrophobicContact CB-CD1 4.49Å; R23-F133 HydrophobicContact CB-CG 4.2Å; R23-F133 WeakPolarHBondContact O-CB 3.43Å; R23-L373 VanDerWaalsContact NH1-CD1 3.3Å
24V84Confident77.2Confident32 Ų3288.5 Ų88.519%0.19442%0.424CS..PPolyproline II helixtrans-72.6129.9167.2-175.80000107.8W39 D85 N89 V91V24-W39 HydrophobicContact CG2-CH2 4.33Å; V24-W39 HydrophobicContact CG2-CZ3 3.87Å; V24-D85 HydrophobicContact CG2-CB 4.02Å; V24-N89 HydrophobicContact CG1-CB 3.69Å; V24-N89 HydrophobicContact CG2-CB 4.34Å; V24-V91 HydrophobicContact CG2-CG2 4.09Å
25A73.9Confident75.7Confident24 Ų2493.4 Ų93.420%0.19845%0.454CS..PPolyproline II helixtrans-61.4135.1175.700000110.2R27 T129 F133A25-R27 PolarHBondContact O-N 3.05Å; A25-R27 VanDerWaalsContact O-N 3.12Å; A25-T129 HydrophobicContact CB-CG2 3.55Å; A25-F133 HydrophobicContact CB-CD2 4.49Å; A25-F133 HydrophobicContact CB-CE2 3.9Å
26P65.9Low74.5Confident129 Ų12991.1 Ų91.184%0.83845%0.447SS*.PPolyproline II helixtrans-56119.9173.5-24.834.5000110.3
27R62.9Low74Confident161 Ų16194.8 Ų94.861%0.60846%0.464SS*.PPolyproline II helixtrans-79.7145.1176.5-58.7177.162.41513.8108.7A25 D29 N89A25-R27 PolarHBondContact O-N 3.05Å; A25-R27 VanDerWaalsContact O-N 3.12Å; R27-D29 WeakPolarHBondContact CB-OD1 3.37Å; R27-D29 IonicContact NE-OD1 3.33Å; R27-D29 PolarHBondContact O-N 3.27Å; R27-N89 PolarHBondContact NH1-OD1 3.2Å
28S58.2Low73.8Confident115 Ų11595.5 Ų95.580%0.80447%0.469SS*.SBendtrans-76.4-5.4-174.150.40000114.3H30S28-H30 PolarHBondContact O-N 3.49Å
29D57.2Low73.7Confident83 Ų8393.5 Ų93.544%0.44446%0.46SS..SBendtrans-72.1110.9165.354.5-55.7000110.2R27 K31R27-D29 WeakPolarHBondContact CB-OD1 3.37Å; R27-D29 IonicContact NE-OD1 3.33Å; R27-D29 PolarHBondContact O-N 3.27Å; D29-K31 PolarHBondContact O-N 2.83Å
30H50.5Low73.7Confident194 Ų19494.5 Ų94.590%0.89846%0.464SS*.  trans-60.715.4-175.8-64.8-75.6000116.4S28 Q32S28-H30 PolarHBondContact O-N 3.49Å; H30-Q32 PolarHBondContact O-N 2.99Å
31K56.6Low73.8Confident171 Ų17192.3 Ų92.374%0.74345%0.454SS*.  trans-78.5116.8169.5-64-175.8177.7-1770108.1D29 K33D29-K31 PolarHBondContact O-N 2.83Å; K31-K33 PolarHBondContact O-N 2.81Å
32Q48.2Very low74Confident204 Ų20488.3 Ų88.395%0.95343%0.433SS*.  trans-65.979.8170.4-69.9-174.8-5.100110.2H30H30-Q32 PolarHBondContact O-N 2.99Å
33K56.6Low74.2Confident130 Ų13088.2 Ų88.257%0.56543%0.432SS*.  trans-73.8134.6174.5-148.4-176.1-176.4-159.70108.6K31 V35 E87K31-K33 PolarHBondContact O-N 2.81Å; K33-V35 PolarHBondContact O-N 3.35Å; K33-E87 WeakPolarHBondContact CD-OE2 3.46Å; K33-E87 VanDerWaalsContact CE-OE1 3.29Å; K33-E87 WeakPolarHBondContact CE-OE1 3.4Å; K33-E87 WeakPolarHBondContact CE-OE2 3.16Å; K33-E87 IonicContact NZ-OE1 2.72Å; K33-E87 PolarHBondContact NZ-OE1 3.28Å; K33-E87 VanDerWaalsContact NZ-OE1 3.11Å; K33-E87 IonicContact NZ-OE2 2.62Å; K33-E87 PolarHBondContact NZ-OE2 3.15Å
34K59.7Low74.6Confident181 Ų18186 Ų8679%0.78743%0.428SS*.  trans-58.8111.7179.2-175.8176.8-177.4176.60109S36K34-S36 PolarHBondContact O-N 2.76Å; K34-S36 VanDerWaalsContact O-N 3.12Å
35V65.8Low74.8Confident104 Ų10484.6 Ų84.663%0.6342%0.419SS*.  trans-57.6119.2179.7-179.70000108.5K33 Q37K33-V35 PolarHBondContact O-N 3.35Å; V35-Q37 PolarHBondContact O-N 3.49Å
36S72.4Confident75Confident12 Ų1285.5 Ų85.58%0.08443%0.431CS..  trans-71.4122.5178.5174.60000110K34 K38 S86K34-S36 PolarHBondContact O-N 2.76Å; K34-S36 VanDerWaalsContact O-N 3.12Å; S36-K38 VanDerWaalsContact C-N 3.26Å; S36-K38 PolarHBondContact OG-N 2.99Å; S36-K38 PolarHBondContact OG-O 3.07Å; S36-S86 PolarHBondContact OG-OG 3.02Å
37Q84.8Confident75.8Confident76 Ų7690.8 Ų90.836%0.35543%0.434SS..  trans-90.911.7175.5-68.6167.4-42.100111.8V35 Y56 A57 P58V35-Q37 PolarHBondContact O-N 3.49Å; Q37-Y56 HydrophobicContact CB-CD2 3.94Å; Q37-Y56 HydrophobicContact CB-CE2 3.59Å; Q37-Y56 CarbonylContact O-C 3.57Å; Q37-Y56 WeakPolarHBondContact O-CA 3.33Å; Q37-A57 PolarHBondContact O-N 2.86Å; Q37-P58 HydrophobicContact CB-CB 4.06Å; Q37-P58 HydrophobicContact CG-CB 3.91Å
38K93.5Very high77Confident100 Ų10088.1 Ų88.144%0.43543%0.427SS..EExtended strand (participates in β ladder)trans-111.3132.8176.1-67.5-168.3178.5-170.10110.2S36 V55 Y56 D85 S86S36-K38 VanDerWaalsContact C-N 3.26Å; S36-K38 PolarHBondContact OG-N 2.99Å; S36-K38 PolarHBondContact OG-O 3.07Å; K38-V55 CarbonylContact C-O 3.58Å; K38-V55 VanDerWaalsContact CA-O 3.3Å; K38-V55 WeakPolarHBondContact CA-O 3.19Å; K38-Y56 HydrophobicContact CG-CD2 3.87Å; K38-Y56 HydrophobicContact CG-CG 4.45Å; K38-D85 CarbonylContact O-C 3.5Å; K38-D85 VanDerWaalsContact O-CA 3.22Å; K38-D85 WeakPolarHBondContact O-CA 2.94Å; K38-S86 PolarHBondContact O-N 2.74Å
39W95.5Very high78.7Confident9 Ų989.6 Ų89.63%0.03442%0.419CS..EExtended strand (participates in β ladder)trans-126.7142.8-170.7-46.999.8000112.6L22 V24 C54 V55 A57 P62 W64 D85 V91L22-W39 HydrophobicContact CB-CD2 4.25Å; L22-W39 HydrophobicContact CB-CE3 4.23Å; L22-W39 HydrophobicContact CB-CH2 4.15Å; L22-W39 HydrophobicContact CB-CZ2 4.16Å; L22-W39 HydrophobicContact CB-CZ3 4.2Å; L22-W39 HydrophobicContact CD1-CB 4.11Å; L22-W39 HydrophobicContact CD1-CD2 3.87Å; L22-W39 HydrophobicContact CD1-CE3 4.07Å; L22-W39 HydrophobicContact CD1-CG 3.92Å; V24-W39 HydrophobicContact CG2-CH2 4.33Å; V24-W39 HydrophobicContact CG2-CZ3 3.87Å; W39-C54 CarbonylContact O-C 3.49Å; W39-C54 WeakPolarHBondContact O-CA 3.15Å; W39-V55 PolarHBondContact N-O 3.29Å; W39-V55 PolarHBondContact O-N 2.88Å; W39-A57 PolarHBondContact NE1-O 2.89Å; W39-P62 HydrophobicContact CB-CB 4.15Å; W39-P62 HydrophobicContact CB-CG 3.83Å; W39-P62 HydrophobicContact CG-CB 4.34Å; W39-P62 HydrophobicContact CG-CG 3.92Å; W39-W64 HydrophobicContact CB-CZ2 3.8Å; W39-W64 PolarHBondContact O-NE1 2.84Å; W39-D85 HydrophobicContact CE3-CB 4.18Å; W39-D85 HydrophobicContact CZ3-CB 4.22Å; W39-V91 HydrophobicContact CE3-CG2 3.78Å; W39-V91 HydrophobicContact CH2-CG2 4.46Å; W39-V91 HydrophobicContact CZ3-CG2 3.4Å
40K96.4Very high80.5Confident22 Ų2287.6 Ų87.610%0.09641%0.408CS..EExtended strand (participates in β ladder)trans-134.8142.1174.367.2-165.4-179.6-168.70111.3V42 T52 S84 D85 D88K40-V42 HydrophobicContact CG-CG2 4.42Å; K40-T52 WeakPolarHBondContact CA-OG1 3.31Å; K40-S84 VanDerWaalsContact CE-OG 3.27Å; K40-S84 WeakPolarHBondContact CE-OG 3.45Å; K40-S84 VanDerWaalsContact CG-OG 3.26Å; K40-S84 WeakPolarHBondContact CG-OG 3.47Å; K40-S84 PolarHBondContact N-O 3.1Å; K40-S84 PolarHBondContact O-N 2.84Å; K40-S84 VanDerWaalsContact O-O 3.12Å; K40-S84 PolarHBondContact O-OG 3.32Å; K40-D85 VanDerWaalsContact CE-O 3.29Å; K40-D85 WeakPolarHBondContact CE-O 3.37Å; K40-D88 VanDerWaalsContact CE-OD1 3.26Å; K40-D88 WeakPolarHBondContact CE-OD1 3.1Å; K40-D88 IonicContact NZ-OD1 2.67Å; K40-D88 PolarHBondContact NZ-OD1 2.76Å; K40-D88 IonicContact NZ-OD2 2.7Å; K40-D88 PolarHBondContact NZ-OD2 3.29Å
41C97.3Very high82.7Confident0 Ų080.9 Ų80.90%038%0.383CS..EExtended strand (participates in β ladder)trans-101131.1170.1-1770000109.7V16 S51 T52 W64V16-C41 HydrophobicContact CG1-CB 3.96Å; C41-S51 WeakPolarHBondContact O-CA 3.44Å; C41-T52 HydrophobicContact CB-CG2 3.86Å; C41-T52 PolarHBondContact N-OG1 2.66Å; C41-T52 PolarHBondContact O-N 2.75Å; C41-T52 PolarHBondContact O-OG1 3.03Å; C41-W64 HydrophobicContact CB-CH2 4.19Å; C41-W64 HydrophobicContact CB-CZ2 4.26Å; C41-W64 HydrophobicContact CB-CZ3 4.33Å
42V96.6Very high84.6Confident3 Ų373.1 Ų73.12%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-114.2111.3-176.8177.70000108.7K40 L44 K49 I50 L82K40-V42 HydrophobicContact CG-CG2 4.42Å; V42-L44 HydrophobicContact CG1-CD2 3.94Å; V42-L44 HydrophobicContact CG1-CG 4.31Å; V42-K49 HydrophobicContact CG1-CD 4.17Å; V42-K49 VanDerWaalsContact CG1-CE 3.42Å; V42-K49 HydrophobicContact CG1-CG 3.74Å; V42-I50 CarbonylContact C-O 3.58Å; V42-I50 WeakPolarHBondContact CA-O 3.14Å; V42-L82 HydrophobicContact CB-CB 4.24Å; V42-L82 PolarHBondContact N-O 2.97Å; V42-L82 PolarHBondContact O-N 3.21Å
43I96.5Very high86.8Confident2 Ų269.9 Ų69.91%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-90.2120.6-177.6-54171.3000108.2V14 V16 K49 I50 F66 T68 F70 V79 L81V14-I43 HydrophobicContact CB-CD1 4.32Å; V14-I43 HydrophobicContact CG1-CD1 4.06Å; V14-I43 HydrophobicContact CG2-CG2 4.35Å; V16-I43 HydrophobicContact CG2-CD1 3.83Å; V16-I43 HydrophobicContact CG2-CG1 4.19Å; I43-K49 WeakPolarHBondContact O-CA 3.43Å; I43-I50 HydrophobicContact CB-CB 4.47Å; I43-I50 PolarHBondContact N-O 3.07Å; I43-I50 PolarHBondContact O-N 3.17Å; I43-F66 HydrophobicContact CD1-CD1 4.2Å; I43-F66 HydrophobicContact CD1-CE1 4.07Å; I43-T68 HydrophobicContact CD1-CG2 3.51Å; I43-F70 HydrophobicContact CG2-CD1 4.35Å; I43-F70 HydrophobicContact CG2-CE1 3.55Å; I43-F70 HydrophobicContact CG2-CZ 3.88Å; I43-V79 HydrophobicContact CG2-CG1 4.38Å; I43-L81 HydrophobicContact CB-CD2 4.35Å; I43-L81 HydrophobicContact CG1-CD2 3.97Å; I43-L81 HydrophobicContact CG2-CD2 4Å
44L94Very high88.6Confident55 Ų5566.5 Ų66.529%0.28833%0.326SS..EExtended strand (participates in β ladder)trans-115128.5-178.1-57.1173000110V42 K48 K49 V79 V80 L82V42-L44 HydrophobicContact CG1-CD2 3.94Å; V42-L44 HydrophobicContact CG1-CG 4.31Å; L44-K48 WeakPolarHBondContact CA-O 2.99Å; L44-K49 HydrophobicContact CD2-CB 3.85Å; L44-K49 HydrophobicContact CD2-CD 4.35Å; L44-K49 HydrophobicContact CD2-CG 3.71Å; L44-V79 WeakPolarHBondContact O-CA 3.47Å; L44-V80 HydrophobicContact CB-CB 4.19Å; L44-V80 HydrophobicContact CD1-CB 4.39Å; L44-V80 PolarHBondContact N-O 2.91Å; L44-V80 PolarHBondContact O-N 3.5Å; L44-L82 HydrophobicContact CD1-CB 4.45Å; L44-L82 HydrophobicContact CD1-CD2 4.48Å
45G88.5Confident90.3Very high1 Ų159.1 Ų59.11%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-137.486.3-17900000111.7R47 K48G45-R47 PolarHBondContact O-N 2.62Å; G45-K48 PolarHBondContact N-O 3.18Å; G45-K48 PolarHBondContact O-N 3.47Å
46G78.4Confident91.7Very high44 Ų4460.8 Ų60.845%0.45429%0.293SS..THydrogen-bonded Turntrans61.3-96-172.800000111.9
47R81.2Confident92.6Very high239 Ų23960.6 Ų60.690%0.90229%0.292SS*.THydrogen-bonded Turntrans-101.1-12.2175.5-64.2-170.2-175.3-1712.5114.7G45 A73G45-R47 PolarHBondContact O-N 2.62Å; R47-A73 HydrophobicContact CB-CB 4.42Å; R47-A73 HydrophobicContact CG-CB 4.29Å
48K89.2Confident92.8Very high106 Ų10660.4 Ų60.446%0.46130%0.297SS..EExtended strand (participates in β ladder)trans-83137.5177.2-75-167166.7-153.60110.6L44 G45 F70L44-K48 WeakPolarHBondContact CA-O 2.99Å; G45-K48 PolarHBondContact N-O 3.18Å; G45-K48 PolarHBondContact O-N 3.47Å; K48-F70 HydrophobicContact CD-CB 3.91Å
49K93.5Very high92.5Very high146 Ų14660.1 Ų60.164%0.63530%0.3SS*.EExtended strand (participates in β ladder)trans-125.4125.8169.8177.9-175.7-175.8-165.30107.5V42 I43 L44V42-K49 HydrophobicContact CG1-CD 4.17Å; V42-K49 VanDerWaalsContact CG1-CE 3.42Å; V42-K49 HydrophobicContact CG1-CG 3.74Å; I43-K49 WeakPolarHBondContact O-CA 3.43Å; L44-K49 HydrophobicContact CD2-CB 3.85Å; L44-K49 HydrophobicContact CD2-CD 4.35Å; L44-K49 HydrophobicContact CD2-CG 3.71Å
50I95.6Very high92.2Very high41 Ų4159.8 Ų59.821%0.2130%0.299CS..EExtended strand (participates in β ladder)trans-128.7142.6176.4-56.2177.7000106.7V42 I43 F66 T68 F70V42-I50 CarbonylContact C-O 3.58Å; V42-I50 WeakPolarHBondContact CA-O 3.14Å; I43-I50 HydrophobicContact CB-CB 4.47Å; I43-I50 PolarHBondContact N-O 3.07Å; I43-I50 PolarHBondContact O-N 3.17Å; I50-F66 HydrophobicContact CG2-CE1 4.01Å; I50-F66 HydrophobicContact CG2-CZ 3.91Å; I50-T68 HydrophobicContact CD1-CG2 4.09Å; I50-T68 WeakPolarHBondContact CD1-OG1 3.25Å; I50-T68 HydrophobicContact CG2-CG2 4.15Å; I50-F70 HydrophobicContact CD1-CB 3.98Å; I50-F70 HydrophobicContact CD1-CD1 4.29Å; I50-F70 HydrophobicContact CD1-CG 4.39Å
51S95.6Very high92.1Very high53 Ų5361.4 Ų61.437%0.37131%0.309SS..EExtended strand (participates in β ladder)trans-121.4144.6179.1-170.50000110C41C41-S51 WeakPolarHBondContact O-CA 3.44Å
52T96.9Very high92Very high7 Ų761.4 Ų61.44%0.04331%0.309CS..  trans-66.4168.3156.767.80000109.9K40 C41 W64 F66K40-T52 WeakPolarHBondContact CA-OG1 3.31Å; C41-T52 HydrophobicContact CB-CG2 3.86Å; C41-T52 PolarHBondContact N-OG1 2.66Å; C41-T52 PolarHBondContact O-N 2.75Å; C41-T52 PolarHBondContact O-OG1 3.03Å; T52-W64 HydrophobicContact CG2-CB 4.12Å; T52-W64 HydrophobicContact CG2-CD2 4.49Å; T52-W64 HydrophobicContact CG2-CG 4Å; T52-W64 PolarHBondContact OG1-NE1 3.38Å; T52-F66 HydrophobicContact CG2-CB 3.8Å; T52-F66 HydrophobicContact CG2-CD1 3.82Å; T52-F66 HydrophobicContact CG2-CG 3.85Å
53E94.6Very high92Very high137 Ų13765 Ų6564%0.6433%0.331SS*.  trans-61.1171.9157.858.7170.9-157.500113V55 W64E53-V55 HydrophobicContact CG-CG2 4.23Å; E53-W64 PolarHBondContact O-NE1 3.46Å
54C94.9Very high92Very high58 Ų5865.7 Ų65.739%0.39233%0.333SS..  trans-100.293.6-179.5-65.70000111.6W39W39-C54 CarbonylContact O-C 3.49Å; W39-C54 WeakPolarHBondContact O-CA 3.15Å
55V95.6Very high92.1Very high27 Ų2767 Ų6716%0.16434%0.341CS..EExtended strand (participates in β ladder)trans-80.6129.8-177.7173.60000110.8K38 W39 E53 P62 W64K38-V55 CarbonylContact C-O 3.58Å; K38-V55 VanDerWaalsContact CA-O 3.3Å; K38-V55 WeakPolarHBondContact CA-O 3.19Å; W39-V55 PolarHBondContact N-O 3.29Å; W39-V55 PolarHBondContact O-N 2.88Å; E53-V55 HydrophobicContact CG-CG2 4.23Å; V55-P62 HydrophobicContact CB-CB 4.12Å; V55-P62 HydrophobicContact CG1-CB 3.94Å; V55-W64 HydrophobicContact CG2-CG 4.21Å
56Y94.8Very high92.5Very high139 Ų13969.8 Ų69.855%0.54535%0.352SS..EExtended strand (participates in β ladder)trans-81.2113.7173.8179.4-103.5000110.4Q37 K38 P58Q37-Y56 HydrophobicContact CB-CD2 3.94Å; Q37-Y56 HydrophobicContact CB-CE2 3.59Å; Q37-Y56 CarbonylContact O-C 3.57Å; Q37-Y56 WeakPolarHBondContact O-CA 3.33Å; K38-Y56 HydrophobicContact CG-CD2 3.87Å; K38-Y56 HydrophobicContact CG-CG 4.45Å; Y56-P58 HydrophobicContact CE1-CG 4.05Å
57A92Very high93.3Very high8 Ų871.4 Ų71.47%0.06635%0.348CS..  trans-143.389.2178.100000108.9Q37 W39 D59 G60 P62Q37-A57 PolarHBondContact O-N 2.86Å; W39-A57 PolarHBondContact NE1-O 2.89Å; A57-D59 PolarHBondContact O-N 2.85Å; A57-G60 PolarHBondContact O-N 2.72Å; A57-P62 HydrophobicContact CB-CB 3.91Å
58P87.8Confident94Very high71 Ų7161.2 Ų61.246%0.46131%0.312SS..THydrogen-bonded Turntrans-69.6-12.7-171.129.1-36.2000114.3Q37 Y56Q37-P58 HydrophobicContact CB-CB 4.06Å; Q37-P58 HydrophobicContact CG-CB 3.91Å; Y56-P58 HydrophobicContact CE1-CG 4.05Å
59D86.8Confident94.3Very high95 Ų9559.3 Ų59.351%0.50831%0.31SS..THydrogen-bonded Turntrans-84.5-10.9172.964.7-17.4000113.7A57 N61A57-D59 PolarHBondContact O-N 2.85Å; D59-N61 PolarHBondContact OD1-N 3.28Å; D59-N61 WeakPolarHBondContact OD2-CB 3.47Å; D59-N61 PolarHBondContact OD2-ND2 2.83Å
60G90.1Very high94.4Very high1 Ų152.4 Ų52.41%0.0128%0.28CS..SBendtrans8416.7-175.700000114.8N21 L22 A57 P62N21-G60 PolarHBondContact N-O 2.88Å; L22-G60 WeakPolarHBondContact CB-O 3.21Å; L22-G60 WeakPolarHBondContact CG-O 3.35Å; L22-G60 PolarHBondContact N-O 3.15Å; A57-G60 PolarHBondContact O-N 2.72Å; G60-P62 VanDerWaalsContact O-CD 3.25Å; G60-P62 WeakPolarHBondContact O-CD 3.05Å
61N94Very high94.2Very high56 Ų5655.6 Ų55.630%0.29929%0.292SS..  trans-116.356.6-177-51.3-52000113.8A19 E20 N21 D59A19-N61 CarbonylContact O-C 3.55Å; A19-N61 VanDerWaalsContact O-CA 3.28Å; A19-N61 WeakPolarHBondContact O-CA 3.46Å; E20-N61 VanDerWaalsContact CA-OD1 3.25Å; E20-N61 WeakPolarHBondContact CA-OD1 3.4Å; N21-N61 PolarHBondContact N-OD1 2.94Å; D59-N61 PolarHBondContact OD1-N 3.28Å; D59-N61 WeakPolarHBondContact OD2-CB 3.47Å; D59-N61 PolarHBondContact OD2-ND2 2.83Å
62P96.2Very high94Very high1 Ų153.3 Ų53.31%0.00628%0.276CS..  trans-67.4141.7-17730.8-37.3000112.7K18 A19 L22 W39 V55 A57 G60 W64K18-P62 CarbonylContact C-O 3.56Å; K18-P62 WeakPolarHBondContact CA-O 3.43Å; K18-P62 WeakPolarHBondContact CB-O 3.39Å; A19-P62 HydrophobicContact CB-CG 4.15Å; A19-P62 PolarHBondContact N-O 2.81Å; L22-P62 HydrophobicContact CD1-CG 3.53Å; W39-P62 HydrophobicContact CB-CB 4.15Å; W39-P62 HydrophobicContact CB-CG 3.83Å; W39-P62 HydrophobicContact CG-CB 4.34Å; W39-P62 HydrophobicContact CG-CG 3.92Å; V55-P62 HydrophobicContact CB-CB 4.12Å; V55-P62 HydrophobicContact CG1-CB 3.94Å; A57-P62 HydrophobicContact CB-CB 3.91Å; G60-P62 VanDerWaalsContact O-CD 3.25Å; G60-P62 WeakPolarHBondContact O-CD 3.05Å; P62-W64 HydrophobicContact CB-CD2 4.49Å; P62-W64 HydrophobicContact CB-CH2 4.33Å; P62-W64 HydrophobicContact CB-CZ2 4.04Å; P62-W64 HydrophobicContact CG-CH2 3.56Å; P62-W64 HydrophobicContact CG-CZ2 3.65Å; P62-W64 HydrophobicContact CG-CZ3 4.03Å
63V96.5Very high93.3Very high77 Ų7755.2 Ų55.247%0.46729%0.292SS..EExtended strand (participates in β ladder)trans-109.8123.5167.9-174.90000107.9Y17 K18Y17-V63 HydrophobicContact CD2-CG1 4.29Å; Y17-V63 HydrophobicContact CE2-CG1 4.12Å; K18-V63 HydrophobicContact CB-CB 4.3Å; K18-V63 HydrophobicContact CB-CG1 4.39Å; K18-V63 HydrophobicContact CB-CG2 3.93Å
64W96.8Very high92.8Very high18 Ų1852.1 Ų52.17%0.06828%0.283CS..EExtended strand (participates in β ladder)trans-108.4-34.6177.3-61.6-80000112.7V16 Y17 A19 L22 W39 C41 T52 E53 V55 P62 F66 V83 L136V16-W64 HydrophobicContact CG1-CD2 4.48Å; V16-W64 HydrophobicContact CG1-CE3 3.71Å; V16-W64 HydrophobicContact CG1-CZ3 4.12Å; Y17-W64 PolarHBondContact O-N 2.89Å; A19-W64 HydrophobicContact CB-CH2 3.97Å; A19-W64 HydrophobicContact CB-CZ3 3.76Å; L22-W64 HydrophobicContact CD1-CH2 4.11Å; W39-W64 HydrophobicContact CB-CZ2 3.8Å; W39-W64 PolarHBondContact O-NE1 2.84Å; C41-W64 HydrophobicContact CB-CH2 4.19Å; C41-W64 HydrophobicContact CB-CZ2 4.26Å; C41-W64 HydrophobicContact CB-CZ3 4.33Å; T52-W64 HydrophobicContact CG2-CB 4.12Å; T52-W64 HydrophobicContact CG2-CD2 4.49Å; T52-W64 HydrophobicContact CG2-CG 4Å; T52-W64 PolarHBondContact OG1-NE1 3.38Å; E53-W64 PolarHBondContact O-NE1 3.46Å; V55-W64 HydrophobicContact CG2-CG 4.21Å; P62-W64 HydrophobicContact CB-CD2 4.49Å; P62-W64 HydrophobicContact CB-CH2 4.33Å; P62-W64 HydrophobicContact CB-CZ2 4.04Å; P62-W64 HydrophobicContact CG-CH2 3.56Å; P62-W64 HydrophobicContact CG-CZ2 3.65Å; P62-W64 HydrophobicContact CG-CZ3 4.03Å; W64-F66 HydrophobicContact CB-CB 4.24Å; W64-F66 PolarHBondContact O-N 2.77Å; W64-V83 HydrophobicContact CH2-CG1 4.16Å; W64-L136 HydrophobicContact CH2-CD1 4.48Å; W64-L136 HydrophobicContact CZ3-CD1 3.76Å
65N94.7Very high92.4Very high82 Ų8255.1 Ų55.144%0.43929%0.286SS..EExtended strand (participates in β ladder)trans48.429.7-175.5-164.727.8000114.6R15 V16 Y17R15-N65 PolarHBondContact NE-OD1 2.83Å; R15-N65 PolarHBondContact NH2-OD1 2.87Å; V16-N65 CarbonylContact O-C 3.53Å; V16-N65 WeakPolarHBondContact O-CA 3.1Å; V16-N65 PolarHBondContact O-N 2.81Å; V16-N65 VanDerWaalsContact O-N 3.16Å; Y17-N65 PolarHBondContact O-N 2.86Å
66F96.8Very high91.8Very high59 Ų5956.1 Ų56.126%0.25930%0.302SS..EExtended strand (participates in β ladder)trans-89.1130-170175.2-93.3000111.3R15 V16 I43 I50 T52 W64 T68R15-F66 CarbonylContact C-O 3.57Å; R15-F66 VanDerWaalsContact CA-O 3.31Å; R15-F66 WeakPolarHBondContact CA-O 3.46Å; V16-F66 PolarHBondContact N-O 2.76Å; V16-F66 PolarHBondContact O-N 3.38Å; I43-F66 HydrophobicContact CD1-CD1 4.2Å; I43-F66 HydrophobicContact CD1-CE1 4.07Å; I50-F66 HydrophobicContact CG2-CE1 4.01Å; I50-F66 HydrophobicContact CG2-CZ 3.91Å; T52-F66 HydrophobicContact CG2-CB 3.8Å; T52-F66 HydrophobicContact CG2-CD1 3.82Å; T52-F66 HydrophobicContact CG2-CG 3.85Å; W64-F66 HydrophobicContact CB-CB 4.24Å; W64-F66 PolarHBondContact O-N 2.77Å; F66-T68 HydrophobicContact CE1-CG2 3.82Å
67E96.4Very high91.5Very high79 Ų7951.3 Ų51.337%0.36929%0.286SS..EExtended strand (participates in β ladder)trans-116.5139.1178.9-164.6163.8131.300111.8T13 V14 R15T13-E67 HydrophobicContact CG2-CG 3.78Å; V14-E67 WeakPolarHBondContact O-CA 3.33Å; R15-E67 HydrophobicContact CB-CB 4.25Å; R15-E67 HydrophobicContact CB-CG 3.99Å; R15-E67 VanDerWaalsContact CD-OE2 3.23Å; R15-E67 WeakPolarHBondContact CD-OE2 3.15Å; R15-E67 HydrophobicContact CG-CB 4.05Å; R15-E67 HydrophobicContact CG-CG 4.26Å; R15-E67 IonicContact CZ-OE2 2.73Å; R15-E67 IonicContact NE-OE2 2.9Å; R15-E67 IonicContact NH1-OE2 2.65Å; R15-E67 PolarHBondContact NH1-OE2 3.24Å
68T96.1Very high91.6Very high24 Ų2453.3 Ų53.315%0.14730%0.298CS..EExtended strand (participates in β ladder)trans-152.2143.3175.8-166.70000112.9T13 V14 I43 I50 F66 F70T13-T68 WeakPolarHBondContact CA-O 3.1Å; V14-T68 PolarHBondContact N-O 2.9Å; V14-T68 PolarHBondContact O-N 2.73Å; I43-T68 HydrophobicContact CD1-CG2 3.51Å; I50-T68 HydrophobicContact CD1-CG2 4.09Å; I50-T68 WeakPolarHBondContact CD1-OG1 3.25Å; I50-T68 HydrophobicContact CG2-CG2 4.15Å; F66-T68 HydrophobicContact CE1-CG2 3.82Å; T68-F70 HydrophobicContact CG2-CD1 4.26Å
69T95.2Very high91.9Very high66 Ų6649.9 Ų49.941%0.40528%0.276SS..EExtended strand (participates in β ladder)trans-110.1134.1175.7-52.80000110E11 V12 T13 E143E11-T69 HydrophobicContact CG-CG2 3.57Å; V12-T69 WeakPolarHBondContact O-CA 3.23Å; T13-T69 WeakPolarHBondContact OG1-CG2 3.34Å; T13-T69 PolarHBondContact OG1-OG1 2.74Å; T69-E143 HydrophobicContact CG2-CG 4.05Å
70F94.2Very high92.4Very high2 Ų246.4 Ų46.41%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-149.8154.8-179.863-87.5000114.5E11 V12 V14 I43 K48 I50 T68 I72 V79E11-F70 WeakPolarHBondContact CA-O 3.42Å; V12-F70 PolarHBondContact N-O 2.86Å; V12-F70 PolarHBondContact O-N 3Å; V14-F70 HydrophobicContact CB-CE1 4.39Å; V14-F70 HydrophobicContact CG2-CE1 3.7Å; V14-F70 HydrophobicContact CG2-CZ 4.1Å; I43-F70 HydrophobicContact CG2-CD1 4.35Å; I43-F70 HydrophobicContact CG2-CE1 3.55Å; I43-F70 HydrophobicContact CG2-CZ 3.88Å; K48-F70 HydrophobicContact CD-CB 3.91Å; I50-F70 HydrophobicContact CD1-CB 3.98Å; I50-F70 HydrophobicContact CD1-CD1 4.29Å; I50-F70 HydrophobicContact CD1-CG 4.39Å; T68-F70 HydrophobicContact CG2-CD1 4.26Å; F70-I72 HydrophobicContact CD2-CG1 4.34Å; F70-I72 HydrophobicContact CE2-CG1 3.95Å; F70-V79 HydrophobicContact CE2-CG2 4.02Å; F70-V79 HydrophobicContact CZ-CB 4.44Å; F70-V79 HydrophobicContact CZ-CG1 3.85Å; F70-V79 HydrophobicContact CZ-CG2 3.74Å
71K92.5Very high92.7Very high107 Ų10746.4 Ų46.447%0.46526%0.258SS..EExtended strand (participates in β ladder)trans-88.2125.9178.1-60.9-179.1175.5167.90111K10 E11K10-K71 CarbonylContact O-C 3.53Å; K10-K71 VanDerWaalsContact O-CA 3.24Å; K10-K71 WeakPolarHBondContact O-CA 3.39Å; E11-K71 HydrophobicContact CB-CG 4.32Å; E11-K71 HydrophobicContact CG-CG 4.27Å; E11-K71 WeakPolarHBondContact OE1-CE 3.4Å; E11-K71 WeakPolarHBondContact OE1-CG 3.33Å; E11-K71 WeakPolarHBondContact OE2-CE 3.19Å; E11-K71 IonicContact OE2-NZ 3.68Å
72I90.3Very high92.9Very high5 Ų544.8 Ų44.83%0.02625%0.249CC..  trans-82.5125.7179.6-65.9-179.9000109.4P9 K10 V12 F70 T74 D77 V79 R146P9-I72 HydrophobicContact CB-CD1 4.24Å; P9-I72 HydrophobicContact CG-CD1 3.92Å; K10-I72 PolarHBondContact O-N 2.97Å; V12-I72 HydrophobicContact CB-CD1 4.21Å; V12-I72 HydrophobicContact CG2-CD1 3.57Å; V12-I72 HydrophobicContact CG2-CG1 4.38Å; F70-I72 HydrophobicContact CD2-CG1 4.34Å; F70-I72 HydrophobicContact CE2-CG1 3.95Å; I72-T74 PolarHBondContact O-N 3.34Å; I72-D77 HydrophobicContact CG2-CB 3.61Å; I72-V79 HydrophobicContact CD1-CG2 3.82Å; I72-R146 PolarHBondContact O-NH2 2.87Å
73A83.6Confident92.9Very high47 Ų4744.7 Ų44.739%0.38825%0.248SC..SBendtrans-63.3-47.1-166.100000114.6R47 R146R47-A73 HydrophobicContact CB-CB 4.42Å; R47-A73 HydrophobicContact CG-CB 4.29Å; A73-R146 PolarHBondContact O-NH2 2.8Å
74T84.3Confident92.8Very high73 Ų7341.1 Ų41.145%0.44823%0.227SC..SBendtrans-123.1168.4-176.978.50000112.9I72 G76 D77 R146I72-T74 PolarHBondContact O-N 3.34Å; T74-G76 PolarHBondContact O-N 2.96Å; T74-D77 WeakPolarHBondContact CA-OD2 3.26Å; T74-D77 WeakPolarHBondContact CB-OD2 3.39Å; T74-D77 PolarHBondContact N-OD2 2.93Å; T74-D77 PolarHBondContact OG1-OD1 3.47Å; T74-D77 PolarHBondContact OG1-OD2 2.79Å; T74-R146 VanDerWaalsContact C-NH2 3.32Å; T74-R146 PolarHBondContact O-NH1 3.32Å; T74-R146 PolarHBondContact O-NH2 3.12Å
75R84.7Confident92.6Very high120 Ų12040.3 Ų40.345%0.45322%0.224SC..THydrogen-bonded Turntrans-75.2109.4171.7-78.3-178.7174.6135-1.5108.6H8 S147 E149H8-R75 HydrophobicContact CB-CB 4.42Å; H8-R75 HydrophobicContact CB-CG 4.07Å; R75-S147 PolarHBondContact NH2-O 3.33Å; R75-E149 IonicContact CZ-OE2 3.19Å; R75-E149 IonicContact NH1-OE2 2.8Å; R75-E149 PolarHBondContact NH1-OE2 2.86Å; R75-E149 IonicContact NH2-OE2 2.74Å; R75-E149 PolarHBondContact NH2-OE2 3.33Å
76G83.2Confident92.3Very high49 Ų4938.8 Ų38.851%0.50522%0.22SC..THydrogen-bonded Turntrans110.9-8175.300000115.7T74T74-G76 PolarHBondContact O-N 2.96Å
77D89.3Confident91.9Very high38 Ų3839.8 Ų39.820%0.20323%0.225CC..PPolyproline II helixtrans-54.8132.6169.6-75.6-38000110.6I72 T74I72-D77 HydrophobicContact CG2-CB 3.61Å; T74-D77 WeakPolarHBondContact CA-OD2 3.26Å; T74-D77 WeakPolarHBondContact CB-OD2 3.39Å; T74-D77 PolarHBondContact N-OD2 2.93Å; T74-D77 PolarHBondContact OG1-OD1 3.47Å; T74-D77 PolarHBondContact OG1-OD2 2.79Å
78P93.4Very high91.5Very high49 Ų4939.2 Ų39.232%0.31822%0.224SC..PPolyproline II helixtrans-76.6163.6168.733.5-34.8000111.1V80 V95 V96P78-V80 HydrophobicContact CG-CG2 4.23Å; P78-V95 HydrophobicContact CB-CG1 3.83Å; P78-V95 HydrophobicContact CG-CG1 4.21Å; P78-V96 WeakPolarHBondContact CA-O 3.3Å; P78-V96 WeakPolarHBondContact CB-O 3.42Å
79V95.6Very high91.2Very high0 Ų038.8 Ų38.80%022%0.221CC..EExtended strand (participates in β ladder)trans-92.3128.7160.6175.30000107.6V12 V14 I43 L44 F70 I72 L81 V96 I101 I140V12-V79 HydrophobicContact CG1-CG2 4.43Å; V14-V79 HydrophobicContact CG2-CG1 4.06Å; I43-V79 HydrophobicContact CG2-CG1 4.38Å; L44-V79 WeakPolarHBondContact O-CA 3.47Å; F70-V79 HydrophobicContact CE2-CG2 4.02Å; F70-V79 HydrophobicContact CZ-CB 4.44Å; F70-V79 HydrophobicContact CZ-CG1 3.85Å; F70-V79 HydrophobicContact CZ-CG2 3.74Å; I72-V79 HydrophobicContact CD1-CG2 3.82Å; V79-L81 HydrophobicContact CG1-CD2 4Å; V79-V96 PolarHBondContact N-O 2.87Å; V79-V96 PolarHBondContact O-N 3.3Å; V79-I101 HydrophobicContact CG2-CD1 3.9Å; V79-I140 HydrophobicContact CB-CD1 4.07Å; V79-I140 HydrophobicContact CG1-CD1 4.01Å; V79-I140 HydrophobicContact CG2-CD1 4.21Å
80V96.1Very high91Very high22 Ų2237 Ų3713%0.13321%0.208CC..EExtended strand (participates in β ladder)trans-117.7126.5177.2-1730000110L44 P78 Q93 V94 V95L44-V80 HydrophobicContact CB-CB 4.19Å; L44-V80 HydrophobicContact CD1-CB 4.39Å; L44-V80 PolarHBondContact N-O 2.91Å; L44-V80 PolarHBondContact O-N 3.5Å; P78-V80 HydrophobicContact CG-CG2 4.23Å; V80-Q93 HydrophobicContact CG1-CB 4.05Å; V80-Q93 HydrophobicContact CG1-CG 4.44Å; V80-V94 CarbonylContact C-O 3.47Å; V80-V94 WeakPolarHBondContact CA-O 3.16Å; V80-V95 HydrophobicContact CG1-CG2 4.13Å; V80-V95 HydrophobicContact CG2-CG1 4.29Å; V80-V95 HydrophobicContact CG2-CG2 4.09Å
81L97.6Very high90.9Very high0 Ų036.9 Ų36.90%021%0.208CC..EExtended strand (participates in β ladder)trans-102.795.1176-47.7179.8000107.6V14 I43 V79 Q93 V94 L136 F138V14-L81 HydrophobicContact CG1-CD2 3.88Å; I43-L81 HydrophobicContact CB-CD2 4.35Å; I43-L81 HydrophobicContact CG1-CD2 3.97Å; I43-L81 HydrophobicContact CG2-CD2 4Å; V79-L81 HydrophobicContact CG1-CD2 4Å; L81-Q93 CarbonylContact O-C 3.51Å; L81-Q93 VanDerWaalsContact O-CA 3.23Å; L81-Q93 WeakPolarHBondContact O-CA 3.29Å; L81-V94 HydrophobicContact CB-CB 4.32Å; L81-V94 PolarHBondContact N-O 2.9Å; L81-V94 PolarHBondContact O-N 2.86Å; L81-L136 HydrophobicContact CB-CD2 3.7Å; L81-L136 HydrophobicContact CD1-CD2 3.73Å; L81-L136 HydrophobicContact CG-CD2 4.37Å; L81-F138 HydrophobicContact CD1-CB 4.27Å; L81-F138 HydrophobicContact CD1-CD1 3.78Å; L81-F138 HydrophobicContact CD1-CD2 3.59Å; L81-F138 HydrophobicContact CD1-CE1 3.93Å; L81-F138 HydrophobicContact CD1-CE2 3.75Å; L81-F138 HydrophobicContact CD1-CG 3.6Å; L81-F138 HydrophobicContact CD1-CZ 3.91Å
82L96.8Very high91Very high22 Ų2231.8 Ų31.812%0.11519%0.185CC..EExtended strand (participates in β ladder)trans-91.9118.2-177.4171.266.6000109.8V42 L44 H90 Q93 T126V42-L82 HydrophobicContact CB-CB 4.24Å; V42-L82 PolarHBondContact N-O 2.97Å; V42-L82 PolarHBondContact O-N 3.21Å; L44-L82 HydrophobicContact CD1-CB 4.45Å; L44-L82 HydrophobicContact CD1-CD2 4.48Å; L82-H90 HydrophobicContact CD1-CB 4.29Å; L82-Q93 HydrophobicContact CD1-CB 4.16Å; L82-T126 HydrophobicContact CD1-CG2 3.89Å
83V96.6Very high91.3Very high0 Ų033.8 Ų33.80%020%0.195CC..EExtended strand (participates in β ladder)trans-95.2133.5177.3-174.40000110L22 W64 V91 G92 M123 L136L22-V83 HydrophobicContact CD1-CG1 3.62Å; L22-V83 HydrophobicContact CD2-CG1 3.88Å; L22-V83 HydrophobicContact CG-CG1 4.41Å; W64-V83 HydrophobicContact CH2-CG1 4.16Å; V83-V91 HydrophobicContact CB-CB 4.34Å; V83-V91 HydrophobicContact CG1-CB 4.17Å; V83-V91 HydrophobicContact CG1-CG2 4.42Å; V83-V91 PolarHBondContact O-N 3.06Å; V83-G92 PolarHBondContact N-O 3.09Å; V83-M123 HydrophobicContact CB-SD 4.26Å; V83-M123 HydrophobicContact CG2-SD 3.86Å; V83-L136 HydrophobicContact CG2-CD1 4.24Å; V83-L136 HydrophobicContact CG2-CD2 4.44Å
84S94.2Very high92Very high1 Ų131.5 Ų31.51%0.00718%0.176CC..EExtended strand (participates in β ladder)trans-143.7159.9-178.552.50000111.5K40 N89K40-S84 VanDerWaalsContact CE-OG 3.27Å; K40-S84 WeakPolarHBondContact CE-OG 3.45Å; K40-S84 VanDerWaalsContact CG-OG 3.26Å; K40-S84 WeakPolarHBondContact CG-OG 3.47Å; K40-S84 PolarHBondContact N-O 3.1Å; K40-S84 PolarHBondContact O-N 2.84Å; K40-S84 VanDerWaalsContact O-O 3.12Å; K40-S84 PolarHBondContact O-OG 3.32Å; S84-N89 CarbonylContact C-O 3.6Å; S84-N89 WeakPolarHBondContact CA-O 3.39Å; S84-N89 VanDerWaalsContact CB-O 3.29Å; S84-N89 WeakPolarHBondContact CB-O 3.48Å
85D92Very high92.5Very high2 Ų230 Ų301%0.01117%0.167CC..EExtended strand (participates in β ladder)trans-79178.2168.775.90000111.8V24 K38 W39 K40 E87 D88 N89V24-D85 HydrophobicContact CG2-CB 4.02Å; K38-D85 CarbonylContact O-C 3.5Å; K38-D85 VanDerWaalsContact O-CA 3.22Å; K38-D85 WeakPolarHBondContact O-CA 2.94Å; W39-D85 HydrophobicContact CE3-CB 4.18Å; W39-D85 HydrophobicContact CZ3-CB 4.22Å; K40-D85 VanDerWaalsContact CE-O 3.29Å; K40-D85 WeakPolarHBondContact CE-O 3.37Å; D85-E87 PolarHBondContact O-N 2.96Å; D85-E87 VanDerWaalsContact OD1-C 3.31Å; D85-E87 WeakPolarHBondContact OD1-CA 3.44Å; D85-E87 WeakPolarHBondContact OD1-CB 3.39Å; D85-E87 PolarHBondContact OD1-N 3.27Å; D85-D88 PolarHBondContact O-N 2.88Å; D85-D88 PolarHBondContact OD1-N 3.14Å; D85-N89 PolarHBondContact N-O 3.25Å; D85-N89 WeakPolarHBondContact OD1-CB 3.25Å; D85-N89 PolarHBondContact OD1-N 2.87Å; D85-N89 PolarHBondContact OD1-ND2 2.73Å; D85-N89 WeakPolarHBondContact OD2-CB 3.47Å; D85-N89 PolarHBondContact OD2-ND2 3.36Å
86S89.4Confident93Very high50 Ų5024.9 Ų24.935%0.3515%0.149SC..THydrogen-bonded Turntrans-67.4-9.517766.40000114.5S36 K38S36-S86 PolarHBondContact OG-OG 3.02Å; K38-S86 PolarHBondContact O-N 2.74Å
87E87.3Confident93.4Very high80 Ų8025.5 Ų25.537%0.37414%0.144SC..THydrogen-bonded Turntrans-100.48.8176.3-56.9-166.9138.400113.1K33 D85 N89K33-E87 WeakPolarHBondContact CD-OE2 3.46Å; K33-E87 VanDerWaalsContact CE-OE1 3.29Å; K33-E87 WeakPolarHBondContact CE-OE1 3.4Å; K33-E87 WeakPolarHBondContact CE-OE2 3.16Å; K33-E87 IonicContact NZ-OE1 2.72Å; K33-E87 PolarHBondContact NZ-OE1 3.28Å; K33-E87 VanDerWaalsContact NZ-OE1 3.11Å; K33-E87 IonicContact NZ-OE2 2.62Å; K33-E87 PolarHBondContact NZ-OE2 3.15Å; D85-E87 PolarHBondContact O-N 2.96Å; D85-E87 VanDerWaalsContact OD1-C 3.31Å; D85-E87 WeakPolarHBondContact OD1-CA 3.44Å; D85-E87 WeakPolarHBondContact OD1-CB 3.39Å; D85-E87 PolarHBondContact OD1-N 3.27Å; E87-N89 PolarHBondContact O-N 3.04Å; E87-N89 PolarHBondContact OE2-ND2 2.91Å
88D88.6Confident93.5Very high66 Ų6624 Ų2435%0.35314%0.138SC..  trans60.523.9-174.1-72.5-80000114.4K40 D85 K128K40-D88 VanDerWaalsContact CE-OD1 3.26Å; K40-D88 WeakPolarHBondContact CE-OD1 3.1Å; K40-D88 IonicContact NZ-OD1 2.67Å; K40-D88 PolarHBondContact NZ-OD1 2.76Å; K40-D88 IonicContact NZ-OD2 2.7Å; K40-D88 PolarHBondContact NZ-OD2 3.29Å; D85-D88 PolarHBondContact O-N 2.88Å; D85-D88 PolarHBondContact OD1-N 3.14Å; D88-K128 PolarHBondContact O-NZ 2.87Å
89N89.2Confident93.2Very high16 Ų1625.8 Ų25.89%0.08615%0.147CC..  trans-72130.9159.1-55.1-66.8000108.2V24 R27 S84 D85 E87V24-N89 HydrophobicContact CG1-CB 3.69Å; V24-N89 HydrophobicContact CG2-CB 4.34Å; R27-N89 PolarHBondContact NH1-OD1 3.2Å; S84-N89 CarbonylContact C-O 3.6Å; S84-N89 WeakPolarHBondContact CA-O 3.39Å; S84-N89 VanDerWaalsContact CB-O 3.29Å; S84-N89 WeakPolarHBondContact CB-O 3.48Å; D85-N89 PolarHBondContact N-O 3.25Å; D85-N89 WeakPolarHBondContact OD1-CB 3.25Å; D85-N89 PolarHBondContact OD1-N 2.87Å; D85-N89 PolarHBondContact OD1-ND2 2.73Å; D85-N89 WeakPolarHBondContact OD2-CB 3.47Å; D85-N89 PolarHBondContact OD2-ND2 3.36Å; E87-N89 PolarHBondContact O-N 3.04Å; E87-N89 PolarHBondContact OE2-ND2 2.91Å
90H92.1Very high93Very high27 Ų2730.1 Ų30.113%0.12517%0.174CC..EExtended strand (participates in β ladder)trans-84135.5-177.8-61.8177000110.8L82 T126 K128 T129L82-H90 HydrophobicContact CD1-CB 4.29Å; H90-T126 HydrophobicContact CB-CG2 4.12Å; H90-T126 WeakPolarHBondContact CB-OG1 3.21Å; H90-T126 PolarHBondContact ND1-OG1 2.99Å; H90-K128 HydrophobicContact CB-CB 4.27Å; H90-K128 PolarHBondContact CD2-NZ 2.82Å; H90-K128 WeakPolarHBondContact NE2-CE 3.47Å; H90-K128 PolarHBondContact NE2-NZ 3.29Å; H90-T129 WeakPolarHBondContact CB-OG1 3.41Å; H90-T129 PolarHBondContact O-OG1 3.48Å
91V92Very high92.8Very high0 Ų029.4 Ų29.40%017%0.169CC..EExtended strand (participates in β ladder)trans-90-35172.71760000111.4L22 R23 V24 W39 V83 G132 F133L22-V91 HydrophobicContact CB-CG1 4.09Å; L22-V91 HydrophobicContact CD2-CG1 3.75Å; L22-V91 HydrophobicContact CG-CG1 4.46Å; R23-V91 WeakPolarHBondContact O-CG1 3.38Å; V24-V91 HydrophobicContact CG2-CG2 4.09Å; W39-V91 HydrophobicContact CE3-CG2 3.78Å; W39-V91 HydrophobicContact CH2-CG2 4.46Å; W39-V91 HydrophobicContact CZ3-CG2 3.4Å; V83-V91 HydrophobicContact CB-CB 4.34Å; V83-V91 HydrophobicContact CG1-CB 4.17Å; V83-V91 HydrophobicContact CG1-CG2 4.42Å; V83-V91 PolarHBondContact O-N 3.06Å; V91-G132 WeakPolarHBondContact O-CA 3.34Å; V91-F133 HydrophobicContact CG1-CB 4.35Å; V91-F133 VanDerWaalsContact CG1-O 3.24Å; V91-F133 WeakPolarHBondContact CG1-O 3.39Å; V91-F133 PolarHBondContact O-N 3.31Å; V91-F133 VanDerWaalsContact O-N 3.13Å
92G94.8Very high92.5Very high0 Ų032 Ų320%019%0.186CC..EExtended strand (participates in β ladder)trans163.4177.9-172.400000111.2V83 E124 T126V83-G92 PolarHBondContact N-O 3.09Å; G92-E124 CarbonylContact C-O 3.58Å; G92-E124 VanDerWaalsContact CA-O 3.3Å; G92-E124 WeakPolarHBondContact CA-O 3.39Å; G92-T126 VanDerWaalsContact C-CG2 3.48Å
93Q96.8Very high92.2Very high47 Ų4734.5 Ų34.522%0.2220%0.203CC..EExtended strand (participates in β ladder)trans-142.1164.617569.2-175.630.400112V80 L81 L82 V95 E124 Q125 T126V80-Q93 HydrophobicContact CG1-CB 4.05Å; V80-Q93 HydrophobicContact CG1-CG 4.44Å; L81-Q93 CarbonylContact O-C 3.51Å; L81-Q93 VanDerWaalsContact O-CA 3.23Å; L81-Q93 WeakPolarHBondContact O-CA 3.29Å; L82-Q93 HydrophobicContact CD1-CB 4.16Å; Q93-V95 HydrophobicContact CG-CG2 4.41Å; Q93-E124 HydrophobicContact CG-CB 4.15Å; Q93-E124 PolarHBondContact N-O 3.01Å; Q93-E124 WeakPolarHBondContact O-CB 3.43Å; Q93-E124 PolarHBondContact O-N 3.19Å; Q93-Q125 WeakPolarHBondContact CG-O 3.49Å; Q93-Q125 PolarHBondContact NE2-O 2.75Å; Q93-T126 HydrophobicContact CB-CG2 4.03Å; Q93-T126 HydrophobicContact CG-CG2 4.05Å
94V97Very high92Very high0 Ų038.2 Ų38.20%022%0.22CC..EExtended strand (participates in β ladder)trans-123.8125.5165169.90000108.6V80 L81 V96 M121 M123 L136 F138V80-V94 CarbonylContact C-O 3.47Å; V80-V94 WeakPolarHBondContact CA-O 3.16Å; L81-V94 HydrophobicContact CB-CB 4.32Å; L81-V94 PolarHBondContact N-O 2.9Å; L81-V94 PolarHBondContact O-N 2.86Å; V94-V96 HydrophobicContact CG1-CG2 4.01Å; V94-M121 HydrophobicContact CG1-CB 4.05Å; V94-M121 HydrophobicContact CG1-CE 3.76Å; V94-M121 HydrophobicContact CG1-CG 4.31Å; V94-M121 HydrophobicContact CG1-SD 3.43Å; V94-M121 WeakPolarHBondContact CG1-SD 3.36Å; V94-M121 HydrophobicContact CG2-CB 3.82Å; V94-M123 HydrophobicContact CG2-CE 3.46Å; V94-M123 VanDerWaalsContact CG2-CE 3.46Å; V94-L136 HydrophobicContact CG2-CB 4.47Å; V94-L136 HydrophobicContact CG2-CD2 4.44Å; V94-F138 HydrophobicContact CG1-CE1 4.01Å; V94-F138 HydrophobicContact CG1-CZ 3.94Å
95V95.6Very high91.6Very high42 Ų4240 Ų4026%0.25523%0.231SC..EExtended strand (participates in β ladder)trans-102.4114.7176.3-1780000109.7P78 V80 Q93 P97 E124P78-V95 HydrophobicContact CB-CG1 3.83Å; P78-V95 HydrophobicContact CG-CG1 4.21Å; V80-V95 HydrophobicContact CG1-CG2 4.13Å; V80-V95 HydrophobicContact CG2-CG1 4.29Å; V80-V95 HydrophobicContact CG2-CG2 4.09Å; Q93-V95 HydrophobicContact CG-CG2 4.41Å; V95-P97 WeakPolarHBondContact O-CD 3.31Å; V95-E124 WeakPolarHBondContact CG2-OE2 3.33Å
96V95Very high91Very high12 Ų1246.9 Ų46.97%0.07327%0.273CS..EExtended strand (participates in β ladder)trans-104.3109.6175.2-170.10000109.5P78 V79 V94 G98 I101 F138 I140P78-V96 WeakPolarHBondContact CA-O 3.3Å; P78-V96 WeakPolarHBondContact CB-O 3.42Å; V79-V96 PolarHBondContact N-O 2.87Å; V79-V96 PolarHBondContact O-N 3.3Å; V94-V96 HydrophobicContact CG1-CG2 4.01Å; V96-G98 PolarHBondContact O-N 3.03Å; V96-I101 HydrophobicContact CG1-CG1 3.82Å; V96-F138 HydrophobicContact CG2-CE2 3.99Å; V96-F138 HydrophobicContact CG2-CZ 3.89Å; V96-I140 HydrophobicContact CB-CD1 4.38Å; V96-I140 HydrophobicContact CG1-CD1 4.25Å
97P92.8Very high90.4Very high62 Ų6248.6 Ų48.640%0.40328%0.279SS..  trans-59.4134.2175.2-2434000111.7V95 V99 T100V95-P97 WeakPolarHBondContact O-CD 3.31Å; P97-V99 HydrophobicContact CB-CG2 4.25Å; P97-V99 PolarHBondContact O-N 2.66Å; P97-T100 HydrophobicContact CB-CG2 4.33Å; P97-T100 PolarHBondContact O-N 3.18Å; P97-T100 PolarHBondContact O-OG1 3.11Å
98G90.1Very high89.8Confident7 Ų751.2 Ų51.27%0.07230%0.303CS..THydrogen-bonded Turntrans-58.6-18.1-178.200000115P9 V96P9-G98 WeakPolarHBondContact CD-O 3.34Å; P9-G98 VanDerWaalsContact CG-O 3.32Å; P9-G98 WeakPolarHBondContact CG-O 3.09Å; V96-G98 PolarHBondContact O-N 3.03Å
99V87.5Confident89Confident86 Ų8652.7 Ų52.752%0.52132%0.318SS..THydrogen-bonded Turntrans-86.9-12177.3-60.20000114.4I6 P97I6-V99 HydrophobicContact CG2-CB 4.35Å; I6-V99 HydrophobicContact CG2-CG1 3.57Å; P97-V99 HydrophobicContact CB-CG2 4.25Å; P97-V99 PolarHBondContact O-N 2.66Å
100T90.6Very high88.2Confident90 Ų9054.7 Ų54.755%0.55233%0.331SS*.SBendtrans-101.7-0.3176.960.90000112.9P97P97-T100 HydrophobicContact CB-CG2 4.33Å; P97-T100 PolarHBondContact O-N 3.18Å; P97-T100 PolarHBondContact O-OG1 3.11Å
101I92.6Very high87.6Confident8 Ų856.4 Ų56.44%0.04135%0.346CS..PPolyproline II helixtrans-74.2123178.3-56.6177.3000108.9V12 V79 V96 I140 V142V12-I101 HydrophobicContact CG1-CD1 4.18Å; V12-I101 HydrophobicContact CG1-CG2 4.42Å; V12-I101 HydrophobicContact CG2-CD1 4.07Å; V79-I101 HydrophobicContact CG2-CD1 3.9Å; V96-I101 HydrophobicContact CG1-CG1 3.82Å; I101-I140 HydrophobicContact CD1-CD1 3.8Å; I101-I140 HydrophobicContact CD1-CG1 4.41Å; I101-I140 HydrophobicContact CG1-CD1 4.08Å; I101-I140 HydrophobicContact CG2-CD1 4.37Å; I101-I140 HydrophobicContact CG2-CG1 3.9Å; I101-I140 HydrophobicContact CG2-CG2 4.44Å; I101-V142 HydrophobicContact CB-CG2 3.91Å; I101-V142 HydrophobicContact CG2-CG2 3.59Å
102P91.7Very high87Confident53 Ų5358.8 Ų58.834%0.34436%0.358SS..PPolyproline II helixtrans-69.3153.4-179.729.8-35.5000111.2I140 W141 V142P102-I140 WeakPolarHBondContact CG-O 3.24Å; P102-W141 CarbonylContact O-C 3.55Å; P102-W141 VanDerWaalsContact O-CA 3.25Å; P102-W141 WeakPolarHBondContact O-CA 3.2Å; P102-V142 PolarHBondContact O-N 2.99Å
103P91.3Very high86.4Confident75 Ų7560.8 Ų60.849%0.48737%0.371SS..BIsolated β-bridgetrans-63159169.929.2-35.8000111.1R117 Y145P103-R117 PolarHBondContact O-NH2 2.96Å; P103-R117 VanDerWaalsContact O-NH2 3.1Å; P103-Y145 HydrophobicContact CB-CE2 4.15Å
104K91.2Very high85.8Confident79 Ų7963.3 Ų63.334%0.34338%0.382SS..PPolyproline II helixtrans-57.6134.6159.8-166.6160.3-176.7161.90109.5T106 L112 V142 E143K104-T106 PolarHBondContact O-N 2.94Å; K104-L112 HydrophobicContact CG-CD2 3.97Å; K104-V142 WeakPolarHBondContact CB-O 3.35Å; K104-V142 PolarHBondContact N-O 3.12Å; K104-E143 WeakPolarHBondContact CD-OE2 3.35Å; K104-E143 IonicContact NZ-OE1 2.65Å; K104-E143 PolarHBondContact NZ-OE1 2.84Å; K104-E143 IonicContact NZ-OE2 2.67Å; K104-E143 PolarHBondContact NZ-OE2 2.86Å
105P85.5Confident85.2Confident37 Ų3769.2 Ų69.224%0.2441%0.414CS..PPolyproline II helixtrans-59.3134.2172.1-20.133.2000110.4D107 V110 L112P105-D107 VanDerWaalsContact C-N 3.31Å; P105-V110 HydrophobicContact CB-CB 4.21Å; P105-V110 HydrophobicContact CB-CG1 4.27Å; P105-V110 HydrophobicContact CG-CG1 4.21Å; P105-L112 HydrophobicContact CG-CD2 4.1Å
106T80.3Confident84.7Confident147 Ų14771.9 Ų71.990%0.90243%0.434SS*.SBendtrans-78.7-19.7174.6-33.90000112.3K104K104-T106 PolarHBondContact O-N 2.94Å
107D77.3Confident84.4Confident86 Ų8673.5 Ų73.546%0.4644%0.439SS..  trans-86.7118.3-179-171.6-30.2000110.2P105 S109 V110P105-D107 VanDerWaalsContact C-N 3.31Å; D107-S109 VanDerWaalsContact CG-OG 3.23Å; D107-S109 PolarHBondContact O-N 3.35Å; D107-S109 VanDerWaalsContact OD1-CB 3.3Å; D107-S109 WeakPolarHBondContact OD1-CB 3.11Å; D107-S109 PolarHBondContact OD1-N 2.9Å; D107-S109 PolarHBondContact OD1-OG 2.8Å; D107-S109 PolarHBondContact OD2-OG 2.99Å; D107-V110 HydrophobicContact CB-CG2 4.11Å; D107-V110 PolarHBondContact O-N 2.9Å
108P74Confident84.5Confident136 Ų13672.2 Ų72.288%0.88343%0.429SS*.THydrogen-bonded Turntrans-70.6-13.4-178.730.5-36.1000113.9V110P108-V110 VanDerWaalsContact C-N 3.31Å
109S71.6Confident84.7Confident97 Ų9773.8 Ų73.868%0.67844%0.438SS*.THydrogen-bonded Turntrans-74.9-21.7174.270.50000112.9D107 S111D107-S109 VanDerWaalsContact CG-OG 3.23Å; D107-S109 PolarHBondContact O-N 3.35Å; D107-S109 VanDerWaalsContact OD1-CB 3.3Å; D107-S109 WeakPolarHBondContact OD1-CB 3.11Å; D107-S109 PolarHBondContact OD1-N 2.9Å; D107-S109 PolarHBondContact OD1-OG 2.8Å; D107-S109 PolarHBondContact OD2-OG 2.99Å; S109-S111 PolarHBondContact O-N 2.8Å
110V73.2Confident85.1Confident58 Ų5874.2 Ų74.235%0.35244%0.437SS..SBendtrans-86.898.5-179.1-178.20000109.7P105 D107 P108 L112P105-V110 HydrophobicContact CB-CB 4.21Å; P105-V110 HydrophobicContact CB-CG1 4.27Å; P105-V110 HydrophobicContact CG-CG1 4.21Å; D107-V110 HydrophobicContact CB-CG2 4.11Å; D107-V110 PolarHBondContact O-N 2.9Å; P108-V110 VanDerWaalsContact C-N 3.31Å; V110-L112 PolarHBondContact O-N 3.17Å
111S78.9Confident85.3Confident63 Ų6373.2 Ų73.244%0.44143%0.426SS..  trans-50.7128173.8176.10000111.5S109 T113 H114S109-S111 PolarHBondContact O-N 2.8Å; S111-T113 PolarHBondContact O-N 2.98Å; S111-T113 PolarHBondContact OG-OG1 3.01Å; S111-H114 VanDerWaalsContact O-CB 3.27Å; S111-H114 WeakPolarHBondContact O-CB 3.12Å; S111-H114 PolarHBondContact O-N 3.07Å
112L79.5Confident85.4Confident50 Ų5075.8 Ų75.826%0.26244%0.438SS..THydrogen-bonded Turntrans-57.5-34.2-178.6-60.2179.4000111.8K104 P105 V110 R117 W141K104-L112 HydrophobicContact CG-CD2 3.97Å; P105-L112 HydrophobicContact CG-CD2 4.1Å; V110-L112 PolarHBondContact O-N 3.17Å; L112-R117 PolarHBondContact O-NH1 3.17Å; L112-W141 HydrophobicContact CB-CH2 4.01Å; L112-W141 HydrophobicContact CB-CZ2 4.2Å; L112-W141 HydrophobicContact CB-CZ3 4.26Å; L112-W141 HydrophobicContact CD1-CH2 4.33Å; L112-W141 HydrophobicContact CD1-CZ2 3.76Å; L112-W141 HydrophobicContact CG-CZ2 4.5Å
113T82.9Confident85.6Confident42 Ų4274 Ų7426%0.25843%0.425SS..THydrogen-bonded Turntrans-9819.7179.8540000113.2R15 S111 W139R15-T113 VanDerWaalsContact CD-CG2 3.42Å; S111-T113 PolarHBondContact O-N 2.98Å; S111-T113 PolarHBondContact OG-OG1 3.01Å; T113-W139 HydrophobicContact CG2-CD2 4.2Å; T113-W139 HydrophobicContact CG2-CE3 4.17Å; T113-W139 HydrophobicContact CG2-CZ3 4.44Å; T113-W139 VanDerWaalsContact O-CE2 3.28Å; T113-W139 WeakPolarHBondContact O-CZ2 3.47Å; T113-W139 PolarHBondContact O-NE1 3.24Å
114H82.8Confident85.7Confident100 Ų10074.5 Ų74.546%0.46342%0.421SS..  trans-60.7144.3173.7-171.5-105.8000111.5S111 S116 R117 W139S111-H114 VanDerWaalsContact O-CB 3.27Å; S111-H114 WeakPolarHBondContact O-CB 3.12Å; S111-H114 PolarHBondContact O-N 3.07Å; H114-S116 PolarHBondContact ND1-N 3.06Å; H114-S116 PolarHBondContact ND1-OG 3.14Å; H114-S116 PolarHBondContact O-N 3.26Å; H114-S116 VanDerWaalsContact O-N 3.13Å; H114-R117 PolarHBondContact O-N 3.02Å; H114-W139 PolarHBondContact O-NE1 3.48Å
115N85.8Confident85.7Confident123 Ų12377 Ų7766%0.65843%0.434SS*.G310 helixtrans-58.9-29.3-174.6-73.5-20.8000113.4R117 L118N115-R117 PolarHBondContact O-N 3.23Å; N115-L118 VanDerWaalsContact O-CB 3.3Å; N115-L118 WeakPolarHBondContact O-CB 3.34Å; N115-L118 PolarHBondContact O-N 3.25Å; N115-L118 VanDerWaalsContact O-N 3.15Å
116S84.8Confident86Confident98 Ų9876 Ų7669%0.68543%0.427SS*.G310 helixtrans-68.1-10.6175.665.40000114.7H114H114-S116 PolarHBondContact ND1-N 3.06Å; H114-S116 PolarHBondContact ND1-OG 3.14Å; H114-S116 PolarHBondContact O-N 3.26Å; H114-S116 VanDerWaalsContact O-N 3.13Å
117R88.7Confident86.4Confident46 Ų4679.4 Ų79.417%0.17443%0.43CS..G310 helixtrans-105.72174.9-57.4-175.277.5-123.96113P103 L112 H114 N115 C119 W139P103-R117 PolarHBondContact O-NH2 2.96Å; P103-R117 VanDerWaalsContact O-NH2 3.1Å; L112-R117 PolarHBondContact O-NH1 3.17Å; H114-R117 PolarHBondContact O-N 3.02Å; N115-R117 PolarHBondContact O-N 3.23Å; R117-C119 PolarHBondContact O-N 2.8Å; R117-W139 VanDerWaalsContact O-CD1 3.24Å
118L93.9Very high86.9Confident36 Ų3681.1 Ų81.119%0.18843%0.433CS..  trans-75.4112.7-176.6-178.957.4000110.3N115 I120 Y137 W139N115-L118 VanDerWaalsContact O-CB 3.3Å; N115-L118 WeakPolarHBondContact O-CB 3.34Å; N115-L118 PolarHBondContact O-N 3.25Å; N115-L118 VanDerWaalsContact O-N 3.15Å; L118-I120 HydrophobicContact CG-CG1 4.25Å; L118-Y137 HydrophobicContact CD2-CD1 4.19Å; L118-W139 HydrophobicContact CB-CZ2 4.18Å; L118-W139 HydrophobicContact CD1-CD2 3.89Å; L118-W139 HydrophobicContact CD1-CE3 4.13Å; L118-W139 HydrophobicContact CD1-CH2 4.08Å; L118-W139 HydrophobicContact CD1-CZ2 3.79Å; L118-W139 HydrophobicContact CD1-CZ3 4.25Å; L118-W139 HydrophobicContact CD2-CZ2 4.31Å; L118-W139 HydrophobicContact CG-CZ2 4.32Å
119C94.9Very high87.4Confident40 Ų4075.2 Ų75.227%0.2740%0.395SS..EExtended strand (participates in β ladder)trans-75.3124.8170.8-58.20000109.3R117 Y137 F138R117-C119 PolarHBondContact O-N 2.8Å; C119-Y137 WeakPolarHBondContact O-CA 3.34Å; C119-F138 WeakPolarHBondContact CA-O 3.2Å; C119-F138 HydrophobicContact CB-CD1 4.05Å; C119-F138 HydrophobicContact CB-CD2 3.98Å; C119-F138 HydrophobicContact CB-CE1 3.68Å; C119-F138 HydrophobicContact CB-CE2 3.61Å; C119-F138 HydrophobicContact CB-CG 4.19Å; C119-F138 HydrophobicContact CB-CZ 3.46Å; C119-F138 VanDerWaalsContact CB-CZ 3.46Å; C119-F138 VanDerWaalsContact CB-O 3.28Å; C119-F138 WeakPolarHBondContact CB-O 3.49Å; C119-F138 PolarHBondContact N-O 3.47Å; C119-F138 PolarHBondContact O-N 3.02Å
120I95.8Very high88Confident95 Ų9578.9 Ų78.949%0.48740%0.401SS..EExtended strand (participates in β ladder)trans-117.1114173.2-52.7174.1000106.5L118 Y137L118-I120 HydrophobicContact CG-CG1 4.25Å; I120-Y137 HydrophobicContact CB-CE1 4.39Å; I120-Y137 HydrophobicContact CD1-CD1 4.06Å; I120-Y137 HydrophobicContact CD1-CE1 3.68Å; I120-Y137 HydrophobicContact CG1-CD1 3.73Å; I120-Y137 HydrophobicContact CG1-CE1 3.76Å; I120-Y137 HydrophobicContact CG2-CD1 4.25Å; I120-Y137 HydrophobicContact CG2-CE1 3.78Å; I120-Y137 HydrophobicContact CG2-CE2 4.2Å
121M95.6Very high88.5Confident68 Ų6879.1 Ų79.134%0.33540%0.399SS..EExtended strand (participates in β ladder)trans-132.1138.5-177.2-64.9-173.968.700111.4V94 R135 L136 F138V94-M121 HydrophobicContact CG1-CB 4.05Å; V94-M121 HydrophobicContact CG1-CE 3.76Å; V94-M121 HydrophobicContact CG1-CG 4.31Å; V94-M121 HydrophobicContact CG1-SD 3.43Å; V94-M121 WeakPolarHBondContact CG1-SD 3.36Å; V94-M121 HydrophobicContact CG2-CB 3.82Å; M121-R135 CarbonylContact O-C 3.48Å; M121-R135 WeakPolarHBondContact O-CA 3.49Å; M121-L136 PolarHBondContact N-O 3.43Å; M121-L136 PolarHBondContact O-N 3.3Å; M121-F138 HydrophobicContact CB-CE1 4.28Å; M121-F138 HydrophobicContact CG-CE1 4.13Å; M121-F138 HydrophobicContact CG-CZ 4.39Å; M121-F138 HydrophobicContact SD-CE1 4.11Å; M121-F138 HydrophobicContact SD-CZ 3.82Å
122E94.5Very high88.9Confident63 Ų6376.8 Ų76.829%0.29439%0.386SS..EExtended strand (participates in β ladder)trans-71.9149.3171.4-64.9-173.6159.500110.5E124 R135 K324 Q404E122-E124 PolarHBondContact O-N 2.88Å; E122-R135 HydrophobicContact CG-CG 3.83Å; E122-R135 IonicContact OE1-CZ 2.75Å; E122-R135 IonicContact OE1-NE 2.62Å; E122-R135 PolarHBondContact OE1-NE 3.46Å; E122-R135 IonicContact OE1-NH2 3.49Å; E122-R135 PolarHBondContact OE1-NH2 3.45Å; E122-K324 IonicContact OE2-NZ 3.23Å; E122-K324 PolarHBondContact OE2-NZ 3.04Å; E122-Q404 VanDerWaalsContact CD-NE2 3.3Å; E122-Q404 PolarHBondContact OE1-NE2 3.07Å; E122-Q404 PolarHBondContact OE2-NE2 2.87Å
123M94.5Very high89.3Confident15 Ų1576.4 Ų76.47%0.07438%0.382CS..PPolyproline II helixtrans-66.5125.4177.7-75.1-52.89400112.4V83 V94 G132 F133 G134 L136V83-M123 HydrophobicContact CB-SD 4.26Å; V83-M123 HydrophobicContact CG2-SD 3.86Å; V94-M123 HydrophobicContact CG2-CE 3.46Å; V94-M123 VanDerWaalsContact CG2-CE 3.46Å; M123-G132 WeakPolarHBondContact O-CA 3.48Å; M123-F133 WeakPolarHBondContact CG-O 3.39Å; M123-G134 PolarHBondContact N-O 2.94Å; M123-L136 HydrophobicContact CE-CB 3.35Å; M123-L136 HydrophobicContact CE-CD2 4.45Å; M123-L136 HydrophobicContact CE-CG 4.47Å
124E93.5Very high89.7Confident85 Ų8575.4 Ų75.440%0.39738%0.38SS..BIsolated β-bridgetrans-82.8159.6167.7-56.1-176.1146.900111.4G92 Q93 V95 E122G92-E124 CarbonylContact C-O 3.58Å; G92-E124 VanDerWaalsContact CA-O 3.3Å; G92-E124 WeakPolarHBondContact CA-O 3.39Å; Q93-E124 HydrophobicContact CG-CB 4.15Å; Q93-E124 PolarHBondContact N-O 3.01Å; Q93-E124 WeakPolarHBondContact O-CB 3.43Å; Q93-E124 PolarHBondContact O-N 3.19Å; V95-E124 WeakPolarHBondContact CG2-OE2 3.33Å; E122-E124 PolarHBondContact O-N 2.88Å
125Q91.4Very high90.3Very high132 Ų13274.8 Ų74.862%0.61737%0.374SS*.PPolyproline II helixtrans-58.7154.4171.564.7177.7-7.600112.7Q93 T129 E130Q93-Q125 WeakPolarHBondContact CG-O 3.49Å; Q93-Q125 PolarHBondContact NE2-O 2.75Å; Q125-T129 WeakPolarHBondContact CA-O 3.35Å; Q125-E130 WeakPolarHBondContact CB-O 3.49Å
126T92.1Very high90.9Very high15 Ų1569 Ų699%0.09234%0.342CS..BIsolated β-bridgetrans-127168.3174.990.50000110.9L82 H90 G92 Q93 K128 T129L82-T126 HydrophobicContact CD1-CG2 3.89Å; H90-T126 HydrophobicContact CB-CG2 4.12Å; H90-T126 WeakPolarHBondContact CB-OG1 3.21Å; H90-T126 PolarHBondContact ND1-OG1 2.99Å; G92-T126 VanDerWaalsContact C-CG2 3.48Å; Q93-T126 HydrophobicContact CB-CG2 4.03Å; Q93-T126 HydrophobicContact CG-CG2 4.05Å; T126-K128 PolarHBondContact O-N 3.18Å; T126-K128 PolarHBondContact OG1-N 2.89Å; T126-K128 VanDerWaalsContact OG1-N 3.12Å; T126-T129 PolarHBondContact N-O 3.31Å; T126-T129 CarbonylContact O-C 3.49Å; T126-T129 PolarHBondContact O-N 2.8Å; T126-T129 VanDerWaalsContact O-O 3.07Å; T126-T129 PolarHBondContact OG1-N 2.91Å
127K89Confident91.5Very high219 Ų21965.6 Ų65.695%0.95232%0.315SS*.THydrogen-bonded Turntrans-59-10.7174-63.9-172.7179.9-176.90115.4
128K87.6Confident92Very high123 Ų12363.4 Ų63.454%0.53531%0.307SS..THydrogen-bonded Turntrans-110.7-10.3174.8-64.4-172.8-171.4153.40113.7D88 H90 T126D88-K128 PolarHBondContact O-NZ 2.87Å; H90-K128 HydrophobicContact CB-CB 4.27Å; H90-K128 PolarHBondContact CD2-NZ 2.82Å; H90-K128 WeakPolarHBondContact NE2-CE 3.47Å; H90-K128 PolarHBondContact NE2-NZ 3.29Å; T126-K128 PolarHBondContact O-N 3.18Å; T126-K128 PolarHBondContact OG1-N 2.89Å; T126-K128 VanDerWaalsContact OG1-N 3.12Å
129T84.7Confident92.1Very high12 Ų1262.3 Ų62.37%0.07430%0.3CS..BIsolated β-bridgetrans-149110.6-165.6-33.90000109.9A25 H90 Q125 T126 I131A25-T129 HydrophobicContact CB-CG2 3.55Å; H90-T129 WeakPolarHBondContact CB-OG1 3.41Å; H90-T129 PolarHBondContact O-OG1 3.48Å; Q125-T129 WeakPolarHBondContact CA-O 3.35Å; T126-T129 PolarHBondContact N-O 3.31Å; T126-T129 CarbonylContact O-C 3.49Å; T126-T129 PolarHBondContact O-N 2.8Å; T126-T129 VanDerWaalsContact O-O 3.07Å; T126-T129 PolarHBondContact OG1-N 2.91Å; T129-I131 VanDerWaalsContact C-N 3.25Å; T129-I131 VanDerWaalsContact CG2-O 3.31Å; T129-I131 WeakPolarHBondContact CG2-O 3.41Å; T129-I131 PolarHBondContact O-N 3.24Å
130E83.9Confident92.2Very high173 Ų17360.6 Ų60.681%0.80829%0.288SS*.SBendtrans-70.1-21.3-174.5-60.2178.7169.100113.3Q125Q125-E130 WeakPolarHBondContact CB-O 3.49Å
131I83Confident92.1Very high63 Ų6356.1 Ų56.132%0.32327%0.265SS..SBendtrans-125.5124.2177.4-57.6177.1000108.2T129 F133T129-I131 VanDerWaalsContact C-N 3.25Å; T129-I131 VanDerWaalsContact CG2-O 3.31Å; T129-I131 WeakPolarHBondContact CG2-O 3.41Å; T129-I131 PolarHBondContact O-N 3.24Å; I131-F133 HydrophobicContact CB-CD2 4.46Å; I131-F133 HydrophobicContact CB-CE2 3.76Å; I131-F133 HydrophobicContact CB-CZ 4.07Å; I131-F133 HydrophobicContact CG2-CD2 4.12Å; I131-F133 HydrophobicContact CG2-CE1 4.12Å; I131-F133 HydrophobicContact CG2-CE2 3.61Å; I131-F133 HydrophobicContact CG2-CZ 3.62Å; I131-F133 WeakPolarHBondContact O-CD2 3.36Å
132G87.9Confident92.1Very high15 Ų1553 Ų5316%0.15525%0.25CC..  trans-79.6135.2167.300000110.9V91 M123V91-G132 WeakPolarHBondContact O-CA 3.34Å; M123-G132 WeakPolarHBondContact O-CA 3.48Å
133F88.3Confident92.1Very high41 Ų4153.3 Ų53.318%0.1825%0.251CS..  trans-115.5128.6179.4-71.1-87.7000112.7R23 A25 V91 M123 I131R23-F133 HydrophobicContact CB-CB 4.03Å; R23-F133 HydrophobicContact CB-CD1 4.49Å; R23-F133 HydrophobicContact CB-CG 4.2Å; R23-F133 WeakPolarHBondContact O-CB 3.43Å; A25-F133 HydrophobicContact CB-CD2 4.49Å; A25-F133 HydrophobicContact CB-CE2 3.9Å; V91-F133 HydrophobicContact CG1-CB 4.35Å; V91-F133 VanDerWaalsContact CG1-O 3.24Å; V91-F133 WeakPolarHBondContact CG1-O 3.39Å; V91-F133 PolarHBondContact O-N 3.31Å; V91-F133 VanDerWaalsContact O-N 3.13Å; M123-F133 WeakPolarHBondContact CG-O 3.39Å; I131-F133 HydrophobicContact CB-CD2 4.46Å; I131-F133 HydrophobicContact CB-CE2 3.76Å; I131-F133 HydrophobicContact CB-CZ 4.07Å; I131-F133 HydrophobicContact CG2-CD2 4.12Å; I131-F133 HydrophobicContact CG2-CE1 4.12Å; I131-F133 HydrophobicContact CG2-CE2 3.61Å; I131-F133 HydrophobicContact CG2-CZ 3.62Å; I131-F133 WeakPolarHBondContact O-CD2 3.36Å
134G91.7Very high92Very high21 Ų2156.3 Ų56.322%0.21627%0.265CS..SBendtrans96.7-170.7175.600000114.8E20 N21 M123E20-G134 CarbonylContact O-C 3.57Å; E20-G134 WeakPolarHBondContact O-CA 3.42Å; N21-G134 WeakPolarHBondContact O-CA 3.19Å; N21-G134 PolarHBondContact O-N 2.84Å; M123-G134 PolarHBondContact N-O 2.94Å
135R95.7Very high91.9Very high88 Ų8855.5 Ų55.533%0.33226%0.259SS..EExtended strand (participates in β ladder)trans-128.8147.4180-74.3172.6-178.1159.33.2110.5A19 E20 M121 E122 Y137A19-R135 CarbonylContact C-O 3.57Å; A19-R135 WeakPolarHBondContact CA-O 3.01Å; A19-R135 VanDerWaalsContact CB-O 3.29Å; A19-R135 WeakPolarHBondContact CB-O 3.39Å; E20-R135 PolarHBondContact N-O 2.61Å; E20-R135 PolarHBondContact O-N 3.41Å; M121-R135 CarbonylContact O-C 3.48Å; M121-R135 WeakPolarHBondContact O-CA 3.49Å; E122-R135 HydrophobicContact CG-CG 3.83Å; E122-R135 IonicContact OE1-CZ 2.75Å; E122-R135 IonicContact OE1-NE 2.62Å; E122-R135 PolarHBondContact OE1-NE 3.46Å; E122-R135 IonicContact OE1-NH2 3.49Å; E122-R135 PolarHBondContact OE1-NH2 3.45Å; R135-Y137 HydrophobicContact CB-CE2 3.89Å
136L97.6Very high91.7Very high0 Ų051.5 Ų51.50%024%0.238CC..EExtended strand (participates in β ladder)trans-118.4135.8175-173.573.1000110.2V16 A19 W64 L81 V83 V94 M121 M123 F138V16-L136 HydrophobicContact CG1-CD1 3.93Å; A19-L136 HydrophobicContact CB-CD1 4.06Å; W64-L136 HydrophobicContact CH2-CD1 4.48Å; W64-L136 HydrophobicContact CZ3-CD1 3.76Å; L81-L136 HydrophobicContact CB-CD2 3.7Å; L81-L136 HydrophobicContact CD1-CD2 3.73Å; L81-L136 HydrophobicContact CG-CD2 4.37Å; V83-L136 HydrophobicContact CG2-CD1 4.24Å; V83-L136 HydrophobicContact CG2-CD2 4.44Å; V94-L136 HydrophobicContact CG2-CB 4.47Å; V94-L136 HydrophobicContact CG2-CD2 4.44Å; M121-L136 PolarHBondContact N-O 3.43Å; M121-L136 PolarHBondContact O-N 3.3Å; M123-L136 HydrophobicContact CE-CB 3.35Å; M123-L136 HydrophobicContact CE-CD2 4.45Å; M123-L136 HydrophobicContact CE-CG 4.47Å; L136-F138 HydrophobicContact CD2-CD1 4.12Å; L136-F138 HydrophobicContact CG-CD1 4.11Å
137Y97.9Very high91.2Very high27 Ų2755.3 Ų55.311%0.10627%0.265CS..EExtended strand (participates in β ladder)trans-111.9117.8-178.4-66-109.1000107.3Y17 K18 E20 L118 C119 I120 R135Y17-Y137 WeakPolarHBondContact CA-O 3.48Å; Y17-Y137 WeakPolarHBondContact CB-O 3.25Å; Y17-Y137 PolarHBondContact N-O 3.14Å; K18-Y137 HydrophobicContact CG-CD2 4Å; K18-Y137 HydrophobicContact CG-CG 3.93Å; K18-Y137 PolarHBondContact N-O 3.48Å; K18-Y137 WeakPolarHBondContact O-CB 3.29Å; K18-Y137 PolarHBondContact O-N 3.19Å; E20-Y137 HydrophobicContact CB-CE2 4.24Å; E20-Y137 HydrophobicContact CG-CD2 4.42Å; E20-Y137 HydrophobicContact CG-CE2 3.76Å; E20-Y137 PolarHBondContact OE2-OH 3.23Å; E20-Y137 VanDerWaalsContact OE2-OH 3.07Å; L118-Y137 HydrophobicContact CD2-CD1 4.19Å; C119-Y137 WeakPolarHBondContact O-CA 3.34Å; I120-Y137 HydrophobicContact CB-CE1 4.39Å; I120-Y137 HydrophobicContact CD1-CD1 4.06Å; I120-Y137 HydrophobicContact CD1-CE1 3.68Å; I120-Y137 HydrophobicContact CG1-CD1 3.73Å; I120-Y137 HydrophobicContact CG1-CE1 3.76Å; I120-Y137 HydrophobicContact CG2-CD1 4.25Å; I120-Y137 HydrophobicContact CG2-CE1 3.78Å; I120-Y137 HydrophobicContact CG2-CE2 4.2Å; R135-Y137 HydrophobicContact CB-CE2 3.89Å
138F97.6Very high90.1Very high1 Ų149.8 Ų49.80%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-154156.3-175.466.6-82.3000112.6R15 L81 V94 V96 C119 M121 L136 I140R15-F138 CarbonylContact O-C 3.53Å; R15-F138 WeakPolarHBondContact O-CA 3.5Å; R15-F138 WeakPolarHBondContact O-CB 3.2Å; L81-F138 HydrophobicContact CD1-CB 4.27Å; L81-F138 HydrophobicContact CD1-CD1 3.78Å; L81-F138 HydrophobicContact CD1-CD2 3.59Å; L81-F138 HydrophobicContact CD1-CE1 3.93Å; L81-F138 HydrophobicContact CD1-CE2 3.75Å; L81-F138 HydrophobicContact CD1-CG 3.6Å; L81-F138 HydrophobicContact CD1-CZ 3.91Å; V94-F138 HydrophobicContact CG1-CE1 4.01Å; V94-F138 HydrophobicContact CG1-CZ 3.94Å; V96-F138 HydrophobicContact CG2-CE2 3.99Å; V96-F138 HydrophobicContact CG2-CZ 3.89Å; C119-F138 WeakPolarHBondContact CA-O 3.2Å; C119-F138 HydrophobicContact CB-CD1 4.05Å; C119-F138 HydrophobicContact CB-CD2 3.98Å; C119-F138 HydrophobicContact CB-CE1 3.68Å; C119-F138 HydrophobicContact CB-CE2 3.61Å; C119-F138 HydrophobicContact CB-CG 4.19Å; C119-F138 HydrophobicContact CB-CZ 3.46Å; C119-F138 VanDerWaalsContact CB-CZ 3.46Å; C119-F138 VanDerWaalsContact CB-O 3.28Å; C119-F138 WeakPolarHBondContact CB-O 3.49Å; C119-F138 PolarHBondContact N-O 3.47Å; C119-F138 PolarHBondContact O-N 3.02Å; M121-F138 HydrophobicContact CB-CE1 4.28Å; M121-F138 HydrophobicContact CG-CE1 4.13Å; M121-F138 HydrophobicContact CG-CZ 4.39Å; M121-F138 HydrophobicContact SD-CE1 4.11Å; M121-F138 HydrophobicContact SD-CZ 3.82Å; L136-F138 HydrophobicContact CD2-CD1 4.12Å; L136-F138 HydrophobicContact CG-CD1 4.11Å; F138-I140 HydrophobicContact CD2-CB 4.24Å; F138-I140 HydrophobicContact CD2-CG2 4.33Å; F138-I140 HydrophobicContact CE2-CB 4.22Å; F138-I140 HydrophobicContact CE2-CG2 3.9Å
139W97Very high88.6Confident13 Ų1350.7 Ų50.75%0.04925%0.249CC..EExtended strand (participates in β ladder)trans-107.6147165.7-63.7-93.2000109.6V14 R15 Y17 T113 H114 R117 L118 W141V14-W139 WeakPolarHBondContact CA-O 3.45Å; R15-W139 HydrophobicContact CB-CB 4.36Å; R15-W139 HydrophobicContact CB-CE3 4.21Å; R15-W139 HydrophobicContact CG-CE3 4.14Å; R15-W139 PolarHBondContact N-O 3.08Å; R15-W139 PolarHBondContact O-N 3.01Å; Y17-W139 AromaticContact CD1-CH2 3.92Å; Y17-W139 HydrophobicContact CD1-CH2 3.92Å; Y17-W139 HydrophobicContact CD1-CZ3 4.05Å; Y17-W139 HydrophobicContact CE1-CH2 4.44Å; Y17-W139 HydrophobicContact CG-CH2 4.16Å; Y17-W139 AromaticContact CG-CZ3 3.84Å; Y17-W139 HydrophobicContact CG-CZ3 3.84Å; T113-W139 HydrophobicContact CG2-CD2 4.2Å; T113-W139 HydrophobicContact CG2-CE3 4.17Å; T113-W139 HydrophobicContact CG2-CZ3 4.44Å; T113-W139 VanDerWaalsContact O-CE2 3.28Å; T113-W139 WeakPolarHBondContact O-CZ2 3.47Å; T113-W139 PolarHBondContact O-NE1 3.24Å; H114-W139 PolarHBondContact O-NE1 3.48Å; R117-W139 VanDerWaalsContact O-CD1 3.24Å; L118-W139 HydrophobicContact CB-CZ2 4.18Å; L118-W139 HydrophobicContact CD1-CD2 3.89Å; L118-W139 HydrophobicContact CD1-CE3 4.13Å; L118-W139 HydrophobicContact CD1-CH2 4.08Å; L118-W139 HydrophobicContact CD1-CZ2 3.79Å; L118-W139 HydrophobicContact CD1-CZ3 4.25Å; L118-W139 HydrophobicContact CD2-CZ2 4.31Å; L118-W139 HydrophobicContact CG-CZ2 4.32Å; W139-W141 HydrophobicContact CB-CE3 4.19Å; W139-W141 HydrophobicContact CB-CZ3 3.76Å
140I96.5Very high86.4Confident4 Ų454.6 Ų54.62%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-145.1138.5175.7-168.5171000110.4V12 T13 V14 V79 V96 I101 P102 F138V12-I140 HydrophobicContact CG1-CD1 3.98Å; V12-I140 HydrophobicContact CG1-CG1 3.66Å; T13-I140 WeakPolarHBondContact O-CA 3.48Å; V14-I140 HydrophobicContact CG2-CD1 3.78Å; V14-I140 HydrophobicContact CG2-CG1 3.79Å; V79-I140 HydrophobicContact CB-CD1 4.07Å; V79-I140 HydrophobicContact CG1-CD1 4.01Å; V79-I140 HydrophobicContact CG2-CD1 4.21Å; V96-I140 HydrophobicContact CB-CD1 4.38Å; V96-I140 HydrophobicContact CG1-CD1 4.25Å; I101-I140 HydrophobicContact CD1-CD1 3.8Å; I101-I140 HydrophobicContact CD1-CG1 4.41Å; I101-I140 HydrophobicContact CG1-CD1 4.08Å; I101-I140 HydrophobicContact CG2-CD1 4.37Å; I101-I140 HydrophobicContact CG2-CG1 3.9Å; I101-I140 HydrophobicContact CG2-CG2 4.44Å; P102-I140 WeakPolarHBondContact CG-O 3.24Å; F138-I140 HydrophobicContact CD2-CB 4.24Å; F138-I140 HydrophobicContact CD2-CG2 4.33Å; F138-I140 HydrophobicContact CE2-CB 4.22Å; F138-I140 HydrophobicContact CE2-CG2 3.9Å
141W95.1Very high84.3Confident1 Ų156.8 Ų56.80%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-155155.2175.462.585000113.4V12 T13 P102 L112 W139 E143V12-W141 WeakPolarHBondContact CA-O 3.35Å; V12-W141 WeakPolarHBondContact CG1-O 3.19Å; T13-W141 HydrophobicContact CG2-CH2 3.87Å; T13-W141 HydrophobicContact CG2-CZ2 3.41Å; T13-W141 VanDerWaalsContact CG2-CZ2 3.41Å; T13-W141 PolarHBondContact N-O 3.3Å; T13-W141 PolarHBondContact O-N 2.7Å; P102-W141 CarbonylContact O-C 3.55Å; P102-W141 VanDerWaalsContact O-CA 3.25Å; P102-W141 WeakPolarHBondContact O-CA 3.2Å; L112-W141 HydrophobicContact CB-CH2 4.01Å; L112-W141 HydrophobicContact CB-CZ2 4.2Å; L112-W141 HydrophobicContact CB-CZ3 4.26Å; L112-W141 HydrophobicContact CD1-CH2 4.33Å; L112-W141 HydrophobicContact CD1-CZ2 3.76Å; L112-W141 HydrophobicContact CG-CZ2 4.5Å; W139-W141 HydrophobicContact CB-CE3 4.19Å; W139-W141 HydrophobicContact CB-CZ3 3.76Å; W141-E143 PolarHBondContact NE1-OE1 3.44Å
142V94.4Very high82Confident2 Ų257.5 Ų57.51%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-81.4124.6174.7-1710000110.2P9 V12 I101 P102 K104 E144 Y145P9-V142 HydrophobicContact CB-CG1 3.8Å; P9-V142 HydrophobicContact CB-CG2 3.92Å; V12-V142 HydrophobicContact CG2-CG2 4.38Å; I101-V142 HydrophobicContact CB-CG2 3.91Å; I101-V142 HydrophobicContact CG2-CG2 3.59Å; P102-V142 PolarHBondContact O-N 2.99Å; K104-V142 WeakPolarHBondContact CB-O 3.35Å; K104-V142 PolarHBondContact N-O 3.12Å; V142-E144 VanDerWaalsContact CG1-O 3.31Å; V142-E144 WeakPolarHBondContact CG1-O 3.48Å; V142-Y145 HydrophobicContact CB-CE1 4.09Å; V142-Y145 HydrophobicContact CB-CE2 3.92Å; V142-Y145 HydrophobicContact CG1-CD1 3.91Å; V142-Y145 HydrophobicContact CG1-CD2 3.89Å; V142-Y145 HydrophobicContact CG1-CE1 3.83Å; V142-Y145 HydrophobicContact CG1-CE2 3.8Å; V142-Y145 HydrophobicContact CG1-CG 3.95Å; V142-Y145 HydrophobicContact CG2-CE1 3.82Å; V142-Y145 HydrophobicContact CG2-CE2 4.45Å
143E93.9Very high79.5Confident69 Ų6968.8 Ų68.832%0.32233%0.332SS..EExtended strand (participates in β ladder)trans-84.4-48.6170.3-69.9-69.7163.200110.7E11 T13 T69 K104 W141E11-E143 HydrophobicContact CB-CB 4.31Å; E11-E143 HydrophobicContact CG-CB 4.13Å; E11-E143 PolarHBondContact O-N 2.88Å; T13-E143 WeakPolarHBondContact OG1-CG 3.48Å; T13-E143 PolarHBondContact OG1-OE1 3.28Å; T69-E143 HydrophobicContact CG2-CG 4.05Å; K104-E143 WeakPolarHBondContact CD-OE2 3.35Å; K104-E143 IonicContact NZ-OE1 2.65Å; K104-E143 PolarHBondContact NZ-OE1 2.84Å; K104-E143 IonicContact NZ-OE2 2.67Å; K104-E143 PolarHBondContact NZ-OE2 2.86Å; W141-E143 PolarHBondContact NE1-OE1 3.44Å
144E92.3Very high77Confident78 Ų7872.8 Ų72.836%0.36437%0.365SS..EExtended strand (participates in β ladder)trans-132.2129.7179.1-159.1-163.1156.300110.2K10 E11 V142K10-E144 WeakPolarHBondContact CA-O 3.45Å; K10-E144 HydrophobicContact CB-CB 4.43Å; K10-E144 WeakPolarHBondContact CB-O 3.39Å; K10-E144 HydrophobicContact CD-CG 4.46Å; K10-E144 WeakPolarHBondContact CD-OE1 3.43Å; K10-E144 WeakPolarHBondContact CD-OE2 3.39Å; K10-E144 WeakPolarHBondContact CE-OE2 3.45Å; K10-E144 PolarHBondContact N-O 2.84Å; K10-E144 IonicContact NZ-OE1 3.33Å; K10-E144 PolarHBondContact NZ-OE1 3.21Å; K10-E144 IonicContact NZ-OE2 2.65Å; K10-E144 PolarHBondContact NZ-OE2 2.72Å; E11-E144 HydrophobicContact CB-CB 3.97Å; E11-E144 PolarHBondContact N-O 2.94Å; E11-E144 PolarHBondContact O-N 2.61Å; V142-E144 VanDerWaalsContact CG1-O 3.31Å; V142-E144 WeakPolarHBondContact CG1-O 3.48Å
145Y91.7Very high74.4Confident69 Ų6976 Ų7627%0.27139%0.39SS..EExtended strand (participates in β ladder)trans-86148.6167-71.6-81.7000110.4R7 P103 V142R7-Y145 HydrophobicContact CB-CD1 3.47Å; R7-Y145 VanDerWaalsContact CB-CD1 3.47Å; R7-Y145 HydrophobicContact CB-CE1 3.92Å; R7-Y145 HydrophobicContact CB-CG 4.02Å; R7-Y145 WeakPolarHBondContact O-CD1 3.3Å; R7-Y145 WeakPolarHBondContact O-CE1 3.45Å; P103-Y145 HydrophobicContact CB-CE2 4.15Å; V142-Y145 HydrophobicContact CB-CE1 4.09Å; V142-Y145 HydrophobicContact CB-CE2 3.92Å; V142-Y145 HydrophobicContact CG1-CD1 3.91Å; V142-Y145 HydrophobicContact CG1-CD2 3.89Å; V142-Y145 HydrophobicContact CG1-CE1 3.83Å; V142-Y145 HydrophobicContact CG1-CE2 3.8Å; V142-Y145 HydrophobicContact CG1-CG 3.95Å; V142-Y145 HydrophobicContact CG2-CE1 3.82Å; V142-Y145 HydrophobicContact CG2-CE2 4.45Å
146R88Confident71.6Confident48 Ų4882 Ų8218%0.18142%0.418CS..PPolyproline II helixtrans-62.4139.6168.9-70.9-179.8159.3101.4-7.4109.3H8 P9 K10 I72 A73 T74 E148H8-R146 PolarHBondContact O-N 3.39Å; P9-R146 PolarHBondContact O-NH1 3.07Å; K10-R146 HydrophobicContact CB-CG 3.65Å; K10-R146 HydrophobicContact CG-CG 4.19Å; I72-R146 PolarHBondContact O-NH2 2.87Å; A73-R146 PolarHBondContact O-NH2 2.8Å; T74-R146 VanDerWaalsContact C-NH2 3.32Å; T74-R146 PolarHBondContact O-NH1 3.32Å; T74-R146 PolarHBondContact O-NH2 3.12Å; R146-E148 PolarHBondContact O-N 3.07Å
147S80.4Confident68.5Low94 Ų9485.6 Ų85.666%0.65746%0.455SS*.PPolyproline II helixtrans-55138.4166.844.30000110.5R75 E149R75-S147 PolarHBondContact NH2-O 3.33Å; S147-E149 PolarHBondContact O-N 3Å
148E67.7Low65.6Low104 Ų10489.9 Ų89.949%0.48649%0.489SS..PPolyproline II helixtrans-69.7120.3161.1-67.1179.2-153.800107.1N5 R7 R146 S150N5-E148 WeakPolarHBondContact CB-OE1 3.42Å; N5-E148 PolarHBondContact ND2-OE1 3.39Å; N5-E148 PolarHBondContact ND2-OE2 3.28Å; R7-E148 IonicContact NE-OE1 3.83Å; R146-E148 PolarHBondContact O-N 3.07Å; E148-S150 VanDerWaalsContact C-N 3.34Å; E148-S150 PolarHBondContact O-N 2.87Å
149E54.5Low62.7Low141 Ų14196.5 Ų96.566%0.65953%0.529SS*.  trans-7195.8170.4-79161105.600108.1R75 S147 K151R75-E149 IonicContact CZ-OE2 3.19Å; R75-E149 IonicContact NH1-OE2 2.8Å; R75-E149 PolarHBondContact NH1-OE2 2.86Å; R75-E149 IonicContact NH2-OE2 2.74Å; R75-E149 PolarHBondContact NH2-OE2 3.33Å; S147-E149 PolarHBondContact O-N 3Å; E149-K151 PolarHBondContact O-N 2.88Å
150S40.1Very low60Low94 Ų94102.4 Ų102.466%0.65756%0.561SS**  trans-54.3123.3166.247.50000108.7E148 S152E148-S150 VanDerWaalsContact C-N 3.34Å; E148-S150 PolarHBondContact O-N 2.87Å; S150-S152 PolarHBondContact O-N 2.91Å; S150-S152 PolarHBondContact O-OG 3.33Å; S150-S152 PolarHBondContact OG-OG 3.37Å
151K40.1Very low56.8Low220 Ų220107.5 Ų107.596%0.95760%0.597SS**SBendtrans-72.668.9178.7-69.6-178.8178.1176.80110.3E149E149-K151 PolarHBondContact O-N 2.88Å
152S33.8Very low54Low78 Ų78115.1 Ų115.155%0.54564%0.637SS.*  trans-146.2124.4-173.352.70000111.5S150S150-S152 PolarHBondContact O-N 2.91Å; S150-S152 PolarHBondContact O-OG 3.33Å; S150-S152 PolarHBondContact OG-OG 3.37Å
153R35.6Very low51.1Low251 Ų251120 Ų12095%0.94767%0.671SS**SBendtrans6957.1167.7-49.5-177.682.5153.94117
154S35.6Very low48.3Very low125 Ų125122 Ų12287%0.87469%0.693SS**  -125125.2127.4-172.30000108.7
155A36.7Very low45.7Very low89 Ų89125.7 Ų125.774%0.73671%0.714SS**  trans-127.5145.7-179.700000109
156K37.1Very low43Very low215 Ų215130.7 Ų130.794%0.93574%0.74SS**SBendtrans77.492-167.8-51173.4179.8-179.80113.7
157G33.5Very low40.7Very low75 Ų75135.8 Ų135.877%0.77377%0.77SS**  trans164.2116.5165.700000114.9
158S35.5Very low38.8Very low117 Ų117139 Ų13982%0.81877%0.774SS**  trans55.388.7160.5-137.30000118.8
159V37.4Very low37.2Very low139 Ų139142 Ų14284%0.84279%0.785SS**  trans-73.8115.7151.3-93.20000109.7
160L40Very low36.5Very low138 Ų138141.2 Ų141.272%0.72379%0.786SS**  trans-147.881.4156.7-81.3-171.3000111L162L160-L162 PolarHBondContact O-N 3.37Å
161S30.5Very low36.4Very low111 Ų111146.1 Ų146.178%0.77680%0.795SS**  trans-7694.5162.7-65.70000109.5S163S161-S163 PolarHBondContact O-N 2.74Å
162L36.1Very low36.1Very low160 Ų160139.4 Ų139.484%0.83879%0.788SS**  trans-78.772.4173.8-69.6-179.2000111.4L160L160-L162 PolarHBondContact O-N 3.37Å
163S32.9Very low36.2Very low104 Ų104141 Ų14173%0.72780%0.799SS**  trans-86.9110.7172.1-65.70000111.2S161S161-S163 PolarHBondContact O-N 2.74Å
164S34.6Very low36.4Very low111 Ų111135 Ų13578%0.77679%0.79SS**SBendtrans73.4174.3160-151.80000118.5
165L38Very low36.5Very low156 Ų156134.9 Ų134.982%0.81779%0.787SS**  trans6396.5167.6-68.5161.5000117.9
166H36Very low36.6Very low175 Ų175138.3 Ų138.381%0.8179%0.793SS**  trans-61.4142.8142.6-62.456.2000108.8
167L38.2Very low36.5Very low154 Ų154132.2 Ų132.281%0.80678%0.777SS**  -175.5173.5124.7-117.769.6000111.4
168H40.9Very low36.9Very low161 Ų161135.8 Ų135.875%0.74578%0.778SS**  trans-36.9132.5-179.5-57.7-85.1000115.1
169K34Very low36.9Very low167 Ų167136.6 Ų136.673%0.72677%0.773SS**  61.191.961.6-173.8-147.7169.7-168.90113.1
170D39.3Very low36.9Very low126 Ų126140.6 Ų140.667%0.67478%0.775SS**  -161.8-166.4117.8-114-47.4000112.2
171K38.4Very low36.7Very low197 Ų197139.2 Ų139.286%0.85778%0.777SS**  trans-108.2151.8-158.1-47.4152.9-169.8168.70113.3
172G34.7Very low37.1Very low78 Ų78137.1 Ų137.180%0.80477%0.773SS**  trans157.6137.1151.900000118.6
173S35.2Very low37.2Very low111 Ų111134.8 Ų134.878%0.77677%0.77SS**  trans59.1103151.1-1140000123.4
174T38.8Very low37.7Very low125 Ų125135.7 Ų135.777%0.76777%0.771SS**  48.6126.5119.357.10000122.1
175P38.3Very low37.9Very low123 Ų123138 Ų13880%0.79977%0.773SS**  trans-95.2165.517639.4-36.3000115.2
176N38.9Very low37.8Very low161 Ų161136.2 Ų136.286%0.86177%0.774SS**  trans-159.4155.4161.7-93.3-41.8000106.8
177S35.9Very low37.8Very low87 Ų87136 Ų13661%0.60878%0.778SS**  cis-174.7-176.4-26.1530000106.3
178L41.2Very low37.6Very low151 Ų151134.2 Ų134.279%0.79178%0.778SS**  trans72.7154.3177.4-47.2172.5000116.7
179N35.9Very low37.2Very low134 Ų134130.9 Ų130.972%0.71777%0.773SS**  cis-167.2173.6-49.3-110.8-13.7000110.2
180Y37.9Very low37.5Very low222 Ų222130.6 Ų130.687%0.87178%0.78SS**  trans71.4148.8177.7-73-102.7000118
181S35.3Very low37.3Very low110 Ų110131.3 Ų131.377%0.76978%0.783SS**  cis-168.5139.9-35.3-165.70000110.1
182G38.1Very low37.4Very low67 Ų67129.8 Ų129.869%0.69178%0.784SS**  trans79144.4172.200000115.8
183S38.8Very low37.7Very low111 Ų111131.6 Ų131.678%0.77677%0.772SS**  cis-152.9133.5-3.3-82.30000113.2
184V42.8Very low37.8Very low123 Ų123134.2 Ų134.275%0.74577%0.766SS**  trans55.1101.6140.4-171.90000119.5
185L38.3Very low37.8Very low159 Ų159135.8 Ų135.883%0.83276%0.762SS**  trans53.8144.8133.7-50.4178.5000119.9
186S36.8Very low37.9Very low119 Ų119139.1 Ų139.183%0.83276%0.764SS**  cis-146.3171.62848.70000113.5
187L35.3Very low38Very low171 Ų171140.6 Ų140.690%0.89576%0.763SS**  trans-116138.9-167-72.8157.9000113.1
188S34Very low38.2Very low116 Ų116145.8 Ų145.881%0.81178%0.775SS**  trans-171.3105.4142.9-168.30000107.3
189S33.9Very low38Very low91 Ų91149.1 Ų149.164%0.63678%0.777SS**  70.597.161.2-160.30000113.8
190N40.2Very low37.8Very low161 Ų161153.9 Ų153.986%0.86179%0.785SS**  -157.7137.594.4-88.1-10.7000110.7
191N34.2Very low37.6Very low140 Ų140154.6 Ų154.675%0.74979%0.788SS**  trans-112.8141.4174-179.145.4000107
192D40.9Very low37.9Very low165 Ų165156.1 Ų156.188%0.88279%0.792SS**  trans-161.4156.2147.1-117.1-30.5000113.1
193E40Very low37.7Very low117 Ų117162.4 Ų162.455%0.54780%0.801SS.*  trans-123.5-175.8-160.9-152-156.9146.500112.5
194Y39Very low37.8Very low166 Ų166163.8 Ų163.865%0.65180%0.804SS**  trans74.991.1168-62-80.4000121.2
195K38.7Very low37.6Very low157 Ų157162 Ų16268%0.68380%0.802SS**  35103.1110.8-58.6166.4-174.3138.20117.7
196K40.5Very low37.4Very low194 Ų194161.9 Ų161.984%0.84380%0.802SS**  169.3130.2114.1-91.1154.7-172.4169.70115.5
197K40.9Very low37.5Very low192 Ų192165.8 Ų165.884%0.83581%0.807SS**  trans40.3131.1135.3-65-174.5174.6-177.10121.7
198K39.6Very low37.4Very low196 Ų196161.7 Ų161.785%0.85280%0.798SS**  trans75.7113.8162-64.9179.3176.6-176.40113.9
199R36.1Very low37.6Very low220 Ų220164 Ų16483%0.8380%0.798SS**  80.6117.663.5-171.4-153.1-155.8-1609.3110.3
200W33.4Very low37.7Very low235 Ų235167.5 Ų167.589%0.8980%0.804SS**  trans-179.7153.3132.9-86.313000108.2
201Y33.4Very low37.4Very low237 Ų237165.6 Ų165.693%0.92980%0.798SS**  trans-109.1145.6176-98.6-85000109.1
202T40.3Very low37.8Very low141 Ų141164 Ų16487%0.86580%0.795SS**  trans-142.7151.4163-24.10000110
203K35Very low37.7Very low199 Ų199162.1 Ų162.187%0.86579%0.79SS**  trans-132.2120.5-163.8169.3-170.6174.9-1790110.9
204V40.9Very low37.7Very low141 Ų141161.1 Ų161.186%0.85580%0.796SS**  trans-156.3146.6171.9-170.20000107.5
205A37.7Very low37.6Very low84 Ų84159.6 Ų159.669%0.69480%0.797SS**  cis-166.2158.8-3900000106.5
206N34.1Very low37.6Very low157 Ų157159.6 Ų159.684%0.8480%0.8SS**  trans-79.4144179-62.8-13.8000111.8
207H40.3Very low37.5Very low201 Ų201158 Ų15893%0.93180%0.795SS**  trans-142.9148.9147.4-97.6-78.7000109.9
208A32.5Very low37.4Very low86 Ų86152.5 Ų152.571%0.71178%0.781SS**  trans-129.9-177.8-17400000111
209M37.3Very low37.3Very low164 Ų164154.2 Ų154.281%0.80878%0.782SS**  trans112.4140.8157.9-59.2-62-74.400118.3
210H37.3Very low37.2Very low164 Ų164149.2 Ų149.276%0.75978%0.781SS**  trans83.2146.6161.6-91-77000122.9
211V33.9Very low37.4Very low122 Ų122144.2 Ų144.274%0.73978%0.779SS**  trans-179.3156.7-140.8172.50000104.7
212P42.9Very low37.7Very low106 Ų106137.7 Ų137.769%0.68877%0.768SS**  cis-128-144.4-21.736.7-15.9000112.1
213T37.7Very low37.5Very low126 Ų126138.1 Ų138.177%0.77377%0.765SS**  trans94.4138.9162.769.20000117.7
214S39.6Very low37.4Very low95 Ų95133.1 Ų133.166%0.66476%0.755SS**  cis-168.8-175.4-14.552.30000112.5
215I38.5Very low37.2Very low134 Ų134132.2 Ų132.269%0.68775%0.75SS**  trans91104156.4-65.7160.2000119.1
216Q37.3Very low37.1Very low158 Ų158132.4 Ų132.474%0.73875%0.746SS**  trans58.4158.5130.3-60.3-172.716.700120.5
217Q39.5Very low37.1Very low159 Ų159132 Ų13274%0.74374%0.743SS**  cis-163.8169.1-9.8-114.7-167.394.700106.6
218S38.4Very low37.1Very low77 Ų77128 Ų12854%0.53873%0.733SS.*  cis-164171.6-7.560.10000109.5
219R37.6Very low37.1Very low233 Ų233133.6 Ų133.688%0.87974%0.742SS**  trans68.3146.6169.5-55.9173.9-176.5-158.6-2.2116.7
220S33.7Very low37Very low115 Ų115131.7 Ų131.780%0.80475%0.745SS**  cis161.9128.7-29.4-92.60000106.2
221P38.4Very low36.9Very low129 Ų129132 Ų13284%0.83875%0.748SS**  trans-102.1165.2-172.339-35.8000114.3
222S39Very low37Very low101 Ų101134 Ų13471%0.70676%0.755SS**  trans-162.3150.2156.459.50000113.7
223N36.3Very low36.6Very low149 Ų149136.1 Ų136.180%0.79776%0.76SS**  trans67.2153.3153.2-60-9.9000121.1
224S32.8Very low36.4Very low95 Ų95136 Ų13666%0.66477%0.765SS**  cis172.4174.9-48.949.20000110.5
225V36Very low36.2Very low122 Ų122141.3 Ų141.374%0.73977%0.772SS**  trans83.880.8159.4-171.20000119.7
226S35.6Very low36.3Very low87 Ų87139.7 Ų139.761%0.60877%0.765SS**  73162.912082.50000124.2
227N34.2Very low36.4Very low148 Ų148136.7 Ų136.779%0.79176%0.759SS**  trans77.2136.1154.6-69.2-21.4000118.3
228T39.9Very low36.5Very low118 Ų118137.3 Ų137.372%0.72476%0.759SS**  cis-140.5144.81.749.70000114.5
229K33.7Very low36.9Very low204 Ų204140 Ų14089%0.88777%0.768SS**  trans19.3125.4144.4-59.6-180179.6-178.90120.5
230S35.2Very low37Very low124 Ų124139.4 Ų139.487%0.86777%0.767SS**  -148.7151.5117.1-167.70000109.5
231M35.7Very low37.3Very low170 Ų170144.5 Ų144.584%0.83777%0.77SS**  trans-115.9139-177.3-84.2-178.6155.400111.5
232N34.8Very low37.3Very low164 Ų164147.9 Ų147.988%0.87778%0.775SS**  trans-160.3111131.5-110.5-13.8000109.7
233N34.7Very low37.2Very low150 Ų150151.2 Ų151.280%0.80278%0.779SS**  trans-78142.9168.1-79.9-6.5000109.3
234S33.6Very low37Very low125 Ų125150.6 Ų150.687%0.87478%0.776SS**  trans-138.6138.2143.6-164.50000108.1
235Y34.4Very low37Very low205 Ų205155.8 Ų155.880%0.80479%0.787SS**  trans-101.6122.2-158.2-159.9-98.5000110.1
236N42.2Very low36.9Very low100 Ų100157.4 Ų157.454%0.53579%0.792SS.*  trans-113.7103.8178.7-175.940.5000110.9F238 D239N236-F238 VanDerWaalsContact C-N 3.29Å; N236-F238 PolarHBondContact O-N 3.13Å; N236-D239 PolarHBondContact ND2-OD2 3Å
237P39.8Very low37Very low95 Ų95161.9 Ų161.962%0.61780%0.803SS**THydrogen-bonded Turntrans-86.326.4-169.835.1-37.1000114.9
238F41Very low37.3Very low172 Ų172164.1 Ų164.175%0.75481%0.809SS**THydrogen-bonded Turntrans-120-6.4-170.8-81.8-74.8000117N236 Y240N236-F238 VanDerWaalsContact C-N 3.29Å; N236-F238 PolarHBondContact O-N 3.13Å; F238-Y240 PolarHBondContact O-N 2.94Å
239D47.2Very low37.1Very low134 Ų134166.8 Ų166.872%0.71782%0.818SS**THydrogen-bonded Turntrans-78.615.5-170.6-69.7-53.2000115.7N236N236-D239 PolarHBondContact ND2-OD2 3Å
240Y39.2Very low37.2Very low221 Ų221160.4 Ų160.487%0.86781%0.81SS**THydrogen-bonded Turntrans-93.9-3.5-171.2-115.1-81.4000116.9F238F238-Y240 PolarHBondContact O-N 2.94Å
241Y40.2Very low37.3Very low221 Ų221161 Ų16187%0.86781%0.808SS**SBendtrans-131.758.3-176.5-79.7-77.9000114
242Q37.2Very low37.4Very low200 Ų200160.3 Ų160.394%0.93581%0.806SS**  trans-153.963.2164.6-140.6152.3110.600114.5
243Q36.7Very low37.6Very low171 Ų171161.1 Ų161.180%0.79981%0.805SS**  trans-120116.7170.6-161.5168.334.800111.7
244N31.9Very low38Very low136 Ų136160.8 Ų160.873%0.72780%0.799SS**  trans46.894.2157.1-57.5-12.1000119.2
245F33.2Very low38.3Very low205 Ų205163.1 Ų163.190%0.89979%0.793SS**  trans-134.2102.1140.3-85.4-75.1000110.6
246N33.7Very low38.5Very low156 Ų156161.2 Ų161.283%0.83480%0.797SS**  trans-102.7127.2157.7-78.4-32.7000106.8
247E38.9Very low38.3Very low181 Ų181159.8 Ų159.885%0.84681%0.805SS**  trans171.597.9161.3-99.2154.3-150.900104.1
248E40.7Very low38.2Very low195 Ų195161.2 Ų161.291%0.91182%0.818SS**  61.7132.982.8-69.3-138.4136.400114.7
249D35.8Very low38.2Very low173 Ų173158.7 Ų158.793%0.92582%0.816SS**  trans-69.2128.1-167.3-71.7-64.3000113.9
250G34.9Very low37.9Very low70 Ų70160.6 Ų160.672%0.72283%0.825SS**  trans-133.392.4172.100000112.3I252G250-I252 PolarHBondContact O-N 2.9Å
251V36.8Very low37.7Very low136 Ų136153.3 Ų153.382%0.82482%0.818SS**  trans-76.7118.9174.7177.40000110.1
252I38.6Very low37.6Very low156 Ų156146.6 Ų146.680%0.881%0.808SS**  trans-129.2108.4164.9-58.2179.5000108.1G250G250-I252 PolarHBondContact O-N 2.9Å
253E38Very low37.4Very low181 Ų181148.5 Ų148.585%0.84681%0.808SS**  trans-83.1119.8156-67.7-177.6126.700107.7
254E44Very low37.1Very low144 Ų144145.4 Ų145.467%0.67381%0.805SS**  trans-160.1112.7147.4-115.9-173.3166.500114.5
255K40.9Very low37.4Very low173 Ų173147.6 Ų147.675%0.75281%0.811SS**  trans63.5144.5141.9-68.2162.7-173.2157.90121.7
256D36.9Very low37.6Very low166 Ų166144.8 Ų144.889%0.88881%0.805SS**  trans-63.3145.7176.2-49.4-83.4000113.4
257G39.6Very low37.7Very low69 Ų69143.3 Ų143.371%0.71180%0.801SS**  trans-151.646.9-175.700000114.1V259G257-V259 PolarHBondContact O-N 2.67Å; G257-V259 VanDerWaalsContact O-N 3.09Å
258S36.8Very low37.5Very low126 Ų126138.2 Ų138.288%0.88179%0.791SS**  trans-72.397.9176.8-62.40000112.2
259V41.5Very low37.1Very low118 Ų118136.2 Ų136.272%0.71579%0.786SS**  trans-134.895.1173-175.60000111.5G257G257-V259 PolarHBondContact O-N 2.67Å; G257-V259 VanDerWaalsContact O-N 3.09Å
260L40.1Very low36.8Very low174 Ų174133 Ų13391%0.91178%0.777SS**  trans61.9161.5151-52.9175.8000117.8
261G36.3Very low36.8Very low69 Ų69136.9 Ų136.971%0.71178%0.781SS**  cis-135.4164.8-0.300000112.3
262A36.6Very low36.5Very low79 Ų79135.3 Ų135.365%0.65378%0.776SS**  trans-86.2151.7-177.600000112.6
263Y33.2Very low36Very low241 Ų241133.2 Ų133.295%0.94578%0.775SS**  -122.7127.7129.6-84.9-86.4000107.6
264S31.8Very low35.6Very low105 Ų105130.2 Ų130.273%0.73477%0.774SS**  trans-161.6118.9179.5-73.70000108
265E37.8Very low34.9Very low183 Ų183128.9 Ų128.986%0.85578%0.78SS**  trans166.7135.6177.7-101.5170.8-131.900103.7
266L37.7Very low34.4Very low146 Ų146124.9 Ų124.976%0.76478%0.78SS**  cis-137.116714.1-79.4171.7000114.4
267T35.2Very low34.2Very low124 Ų124127.4 Ų127.476%0.76178%0.783SS**  trans-34.7166.7155.550.30000118
268A33.7Very low34Very low75 Ų75128.6 Ų128.662%0.6279%0.786SS**  cis-178.9169-19.900000110.3
269N32Very low33.9Very low152 Ų152128.4 Ų128.481%0.81378%0.78SS**  trans57.7133.2149-68.8-1.7000122.8
270S31.2Very low33.6Very low106 Ų106131.1 Ų131.174%0.74179%0.79SS**  trans88.5153.2139.477.90000120.4
271L34.4Very low33.4Very low152 Ų152130.4 Ų130.480%0.79678%0.783SS**  trans66.6111.4179.3-47.5-178.4000113.7
272S29.6Very low33.4Very low103 Ų103135.2 Ų135.272%0.7279%0.791SS**  cis78.8136.143.7-53.40000114.5
273S28.3Very low33.5Very low111 Ų111140 Ų14078%0.77680%0.797SS**  trans69.4135.9160.756.80000120.7
274S29.6Very low33.8Very low118 Ų118140 Ų14083%0.82580%0.796SS**  trans86.6120.4146.8-59.70000120.6
275S30.1Very low34.1Very low116 Ų116145.1 Ų145.181%0.81180%0.799SS**  trans-73.6-176.4159.250.80000112.5
276A30Very low34.1Very low90 Ų90143.5 Ų143.574%0.74480%0.796SS**  trans80.983.9164.900000118.6
277F33.5Very low34Very low218 Ų218141.2 Ų141.296%0.95679%0.792SS**  trans-126.7142.3143.7-76-80.4000108.2
278A33.9Very low34.2Very low94 Ų94144.1 Ų144.178%0.77780%0.799SS**  cis-146.3145.4-1000000110.5
279T34.5Very low34.5Very low123 Ų123149.1 Ų149.176%0.75581%0.81SS**PPolyproline II helixtrans-86130.3174.247.40000111.6
280N36.4Very low35.1Very low174 Ų174147.1 Ų147.193%0.9381%0.805SS**PPolyproline II helixtrans-82.8126.1164.8-99.5-35.7000110.8
281Q35.2Very low35.3Very low160 Ų160146.5 Ų146.575%0.74880%0.801SS**PPolyproline II helixtrans-90.3135.1-173.5-79.2-95.36.300112.2
282L37Very low35.6Very low170 Ų170148.4 Ų148.489%0.8980%0.802SS**  trans-146.490.1156.9-146.274.7000115.3
283K37.5Very low36.1Very low179 Ų179155.3 Ų155.378%0.77881%0.813SS**  trans1.7122.7152-66.3167.7175.7167.10118
284R39.7Very low36.5Very low242 Ų242155.6 Ų155.691%0.91382%0.815SS**  168.9150.8126.5-88.8150.9-165.9-152.27.6110.9
285R38.1Very low36.8Very low211 Ų211153.2 Ų153.280%0.79681%0.808SS**  cis-171.1122.4-27.3-166.4172.1-177.7170.4-0109.5
286N37.5Very low37.2Very low149 Ų149155.7 Ų155.780%0.79781%0.812SS**  trans65.6166.8169.3-50.3-7.8000115.4
287S37.1Very low37.6Very low98 Ų98159.5 Ų159.569%0.68582%0.818SS**  cis-155.7146.6-0.7109.70000113.6
288M39.1Very low37.8Very low185 Ų185153 Ų15391%0.91180%0.804SS**  trans68.1159.9153.1-61.4-166.669.200120.7
289H38.8Very low38.2Very low181 Ų181154.1 Ų154.184%0.83881%0.806SS**  trans-141.8-169.4-157.1-139.1-3.8000110.3
290P44.9Very low38.4Very low109 Ų109155.3 Ų155.371%0.70881%0.808SS**  trans-114.2177.4-133.441.1-25.1000115.4
291S36.7Very low38.5Very low94 Ų94154.5 Ų154.566%0.65780%0.802SS**  trans-157.6101.2167.3174.70000117.1
292K39.9Very low38.6Very low191 Ų191154.3 Ų154.383%0.8381%0.806SS**  trans76.5149132.9-59.3171.6-169.7168.90122.4
293R40.3Very low38.7Very low248 Ų248151.3 Ų151.394%0.93680%0.799SS**  trans74.8150.2162.5-73.4-177159.3-176.7-6.2118.4
294S36.4Very low38.5Very low118 Ų118148 Ų14883%0.82580%0.799SS**  cis177.9130-27173.50000109.3
295G35.9Very low38.4Very low67 Ų67144 Ų14469%0.69179%0.794SS**  trans148.9108.2160.900000116.9
296L38.8Very low38.2Very low168 Ų168143.7 Ų143.788%0.8880%0.799SS**  trans7.4132.9137.4-50.1171.9000116.3
297I38.9Very low38.1Very low171 Ų171144 Ų14488%0.87780%0.8SS**  -142.9155.966.3-79.4153.6000111.2
298A36.4Very low37.9Very low80 Ų80144.7 Ų144.766%0.66181%0.805SS**  trans-107.4144.9-177.500000113.7
299S42.3Very low37.7Very low118 Ų118142.2 Ų142.283%0.82580%0.795SS**  trans-140.792.4160.558.10000109.5
300N38.6Very low37.6Very low149 Ų149143 Ų14380%0.79780%0.8SS**  trans-74159.7165.5-46.9-59.5000108.5
301I40.2Very low37.5Very low156 Ų156145 Ų14580%0.880%0.799SS**  cis-131.3130.611.2-60.6163.9000107.9
302D37Very low38Very low156 Ų156148 Ų14883%0.83481%0.807SS**  trans-103.3143.4167.5-165.96.2000110.3S304D302-S304 PolarHBondContact O-N 3.02Å
303S39.1Very low39.1Very low107 Ų107145.4 Ų145.475%0.74880%0.796SS**  trans-101.886.5-169.5-63.40000111
304S32.1Very low40.9Very low110 Ų110136.2 Ų136.277%0.76977%0.769SS**  trans-58.8171.4179.3-166.30000114.4D302D302-S304 PolarHBondContact O-N 3.02Å
305I37.6Very low43.4Very low158 Ų158136.9 Ų136.981%0.8176%0.757SS**  trans87.678.4174-46.6163.7000114.8
306K35.3Very low46.1Very low205 Ų205133.8 Ų133.889%0.89173%0.725SS**  -161.7109.2118.3-111-179.1179-172.60112.1
307D33.9Very low48.7Very low155 Ų155130.2 Ų130.283%0.82970%0.704SS**  trans-75.8177.6161.6-79.9-65.3000111.5
308S32.8Very low51.3Low113 Ų113122.2 Ų122.279%0.7966%0.663SS**  trans86.6142.817167.10000118.4
309D36.2Very low53.9Low132 Ų132121.5 Ų121.571%0.70665%0.648SS**  trans60.179.3178.1-60.8-13.5000118.5H311D309-H311 PolarHBondContact O-N 3Å
310E37.4Very low56.2Low198 Ų198118.4 Ų118.493%0.92562%0.618SS**  trans-61.980.7133.3-82.5-157.9146.600108.9L312E310-L312 PolarHBondContact O-N 2.96Å
311H42.6Very low58.9Low151 Ų151111.5 Ų111.570%0.69958%0.581SS**  trans-59.6109.1165.3-123.9-76.1000107.4D309 K313D309-H311 PolarHBondContact O-N 3Å; H311-K313 PolarHBondContact O-N 3.12Å
312L46.1Very low61.4Low158 Ų158105.5 Ų105.583%0.82756%0.555SS**  trans-52106.7173.9-73.4171.4000108.3E310 S314E310-L312 PolarHBondContact O-N 2.96Å; L312-S314 VanDerWaalsContact C-N 3.26Å; L312-S314 PolarHBondContact O-N 3.02Å
313K63.1Low64.1Low136 Ų136100.9 Ų100.959%0.59153%0.533SS*.  trans-6984.6-175.2-80.3-166.4174.9-171.20110.5H311 K315 E396 F397H311-K313 PolarHBondContact O-N 3.12Å; K313-K315 PolarHBondContact O-N 2.85Å; K313-E396 VanDerWaalsContact CD-OE1 3.25Å; K313-E396 WeakPolarHBondContact CD-OE1 3.39Å; K313-E396 WeakPolarHBondContact CE-OE1 3.33Å; K313-E396 IonicContact NZ-OE1 2.75Å; K313-E396 PolarHBondContact NZ-OE1 3.43Å; K313-E396 IonicContact NZ-OE2 2.69Å; K313-E396 PolarHBondContact NZ-OE2 3.47Å; K313-F397 HydrophobicContact CB-CZ 4.25Å; K313-F397 HydrophobicContact CD-CZ 4.5Å
314S79.2Confident66.6Low54 Ų54100.7 Ų100.738%0.37852%0.519SS..PPolyproline II helixtrans-50.6119.9170.746.40000110.1L312 F340L312-S314 VanDerWaalsContact C-N 3.26Å; L312-S314 PolarHBondContact O-N 3.02Å; S314-F340 WeakPolarHBondContact O-CB 3.33Å; S314-F340 WeakPolarHBondContact OG-CD1 3.27Å; S314-F340 WeakPolarHBondContact OG-CG 3.26Å
315K88.2Confident69.5Low132 Ų13298.2 Ų98.257%0.57450%0.501SS*.PPolyproline II helixtrans-54.7131.9-179.1-176.2179.5179.4178.20110.3K313 F397K313-K315 PolarHBondContact O-N 2.85Å; K315-F397 HydrophobicContact CB-CD1 4.39Å; K315-F397 HydrophobicContact CB-CE1 4.49Å; K315-F397 HydrophobicContact CG-CD1 4.08Å
316P92.8Very high72Confident2 Ų291 Ų911%0.01347%0.465CS..PPolyproline II helixtrans-66.6143.6176.827.8-35.8000111.8R339 L341 I345 F397 I400P316-R339 VanDerWaalsContact CA-O 3.25Å; P316-R339 WeakPolarHBondContact CA-O 3.4Å; P316-L341 HydrophobicContact CB-CB 4.1Å; P316-L341 HydrophobicContact CB-CD1 3.93Å; P316-L341 HydrophobicContact CG-CD1 4.46Å; P316-I345 HydrophobicContact CB-CD1 4.48Å; P316-I345 HydrophobicContact CG-CD1 4.29Å; P316-F397 VanDerWaalsContact CD-CG 3.46Å; P316-F397 HydrophobicContact CG-CB 4.21Å; P316-F397 HydrophobicContact CG-CD1 4.43Å; P316-F397 HydrophobicContact CG-CD2 3.7Å; P316-F397 HydrophobicContact CG-CE2 4.16Å; P316-F397 HydrophobicContact CG-CG 3.85Å; P316-I400 HydrophobicContact CB-CD1 4.26Å; P316-I400 HydrophobicContact CG-CD1 3.47Å; P316-I400 VanDerWaalsContact CG-CD1 3.47Å; P316-I400 HydrophobicContact CG-CG1 4.06Å; P316-I400 WeakPolarHBondContact O-CG2 3.11Å
317E92.9Very high74.6Confident94 Ų9483.6 Ų83.644%0.43944%0.439SS..EExtended strand (participates in β ladder)trans-128.6141.2-177.9-60.6-173.7139.500111.3L319 C338 R339E317-L319 HydrophobicContact CB-CD2 4.25Å; E317-C338 CarbonylContact O-C 3.54Å; E317-C338 VanDerWaalsContact O-CA 3.23Å; E317-C338 WeakPolarHBondContact O-CA 3.23Å; E317-R339 HydrophobicContact CB-CB 4.46Å; E317-R339 PolarHBondContact N-O 2.85Å; E317-R339 PolarHBondContact O-N 3.19Å
318L94.2Very high77.3Confident3 Ų377.1 Ų77.12%0.01641%0.405CS..EExtended strand (participates in β ladder)trans-107.4101176.5-55.3-179.5000109.1I336 C338 L341 I392 I400 C402L318-I336 HydrophobicContact CB-CG2 4.26Å; L318-I336 HydrophobicContact CD2-CG2 4.18Å; L318-C338 HydrophobicContact CD2-CB 4.17Å; L318-C338 WeakPolarHBondContact CD2-SG 3.27Å; L318-L341 HydrophobicContact CD2-CD2 4.17Å; L318-I392 HydrophobicContact CD1-CD1 4.04Å; L318-I392 HydrophobicContact CD1-CG1 4.03Å; L318-I392 HydrophobicContact CD2-CD1 3.76Å; L318-I392 HydrophobicContact CG-CD1 4.47Å; L318-I400 HydrophobicContact CD1-CG2 4.19Å; L318-I400 WeakPolarHBondContact CD1-O 3.3Å; L318-I400 HydrophobicContact CG-CG2 3.9Å; L318-C402 HydrophobicContact CB-CB 3.68Å; L318-C402 HydrophobicContact CD1-CB 4.02Å
319L90.6Very high80Confident64 Ų6475.2 Ų75.234%0.33539%0.392SS..EExtended strand (participates in β ladder)trans-78.1-49.5-165.2-58-176.4000113.6E317 Y337 R339E317-L319 HydrophobicContact CB-CD2 4.25Å; L319-Y337 WeakPolarHBondContact CB-O 3.36Å; L319-Y337 PolarHBondContact N-O 2.85Å; L319-R339 HydrophobicContact CD1-CG 3.85Å; L319-R339 HydrophobicContact CD2-CG 4.27Å; L319-R339 HydrophobicContact CG-CG 4.21Å
320R91.1Very high82.6Confident54 Ų5469.3 Ų69.320%0.20436%0.362CS..EExtended strand (participates in β ladder)trans-159.2159.9-173.464.3170.9-172.3122.11.5111.9I336 Y337R320-I336 WeakPolarHBondContact O-CA 3.35Å; R320-Y337 HydrophobicContact CG-CD2 3.88Å; R320-Y337 HydrophobicContact CG-CG 4.08Å; R320-Y337 VanDerWaalsContact NH2-CE2 3.31Å; R320-Y337 PolarHBondContact NH2-OH 2.84Å; R320-Y337 PolarHBondContact O-N 2.69Å
321I95.1Very high85Confident3 Ų363.2 Ų63.22%0.01535%0.353CS..EExtended strand (participates in β ladder)trans-118.2148.8173.673179.2000111.2K324 L334 T335 I336 I390 Q404 F406I321-K324 HydrophobicContact CG1-CG 4.17Å; I321-L334 HydrophobicContact CB-CD1 3.82Å; I321-L334 HydrophobicContact CB-CD2 4.33Å; I321-L334 HydrophobicContact CB-CG 4.36Å; I321-L334 HydrophobicContact CD1-CD1 4.38Å; I321-L334 HydrophobicContact CG1-CD1 4.29Å; I321-L334 HydrophobicContact CG2-CD2 4.42Å; I321-T335 CarbonylContact C-O 3.53Å; I321-T335 WeakPolarHBondContact CA-O 3.03Å; I321-I336 HydrophobicContact CG2-CG1 4.12Å; I321-I336 HydrophobicContact CG2-CG2 4.33Å; I321-I390 HydrophobicContact CD1-CD1 4.25Å; I321-I390 HydrophobicContact CG2-CD1 4.36Å; I321-Q404 HydrophobicContact CD1-CB 4.33Å; I321-Q404 HydrophobicContact CG1-CB 4.09Å; I321-F406 HydrophobicContact CD1-CB 3.88Å; I321-F406 HydrophobicContact CD1-CD2 4.25Å
322A93Very high87.3Confident31 Ų3157.1 Ų57.126%0.25633%0.326SS..EExtended strand (participates in β ladder)trans-146.2128.4170.300000110.8T335 Y337A322-T335 PolarHBondContact N-O 2.84Å; A322-T335 PolarHBondContact O-N 2.85Å; A322-Y337 HydrophobicContact CB-CE2 4.34Å
323P93.9Very high89.6Confident58 Ų5853.6 Ų53.638%0.37731%0.305SS..SBendcis-69.8163.9-5.731.7-36.6000112.8C325 T332 E333 L334P323-C325 VanDerWaalsContact C-N 3.31Å; P323-T332 HydrophobicContact CG-CG2 3.62Å; P323-E333 WeakPolarHBondContact CD-O 3.25Å; P323-L334 WeakPolarHBondContact O-CD1 3.29Å
324K91.1Very high91.1Very high104 Ų10447.1 Ų47.145%0.45228%0.277SS..SBendtrans-83.4-4.2176.8-64.9-173.1176.8-175.20113.9E122 I321 T407E122-K324 IonicContact OE2-NZ 3.23Å; E122-K324 PolarHBondContact OE2-NZ 3.04Å; I321-K324 HydrophobicContact CG1-CG 4.17Å; K324-T407 PolarHBondContact O-N 3.33Å
325C91.8Very high91.9Very high57 Ų5745.6 Ų45.639%0.38527%0.265SS..EExtended strand (participates in β ladder)trans-156.2163.7-179.458.80000112.6P323 F406 T407 L409P323-C325 VanDerWaalsContact C-N 3.31Å; C325-F406 VanDerWaalsContact C-CE2 3.48Å; C325-T407 WeakPolarHBondContact CA-O 3.3Å; C325-T407 WeakPolarHBondContact CB-O 3.28Å; C325-L409 HydrophobicContact CB-CD1 4.27Å; C325-L409 HydrophobicContact CB-CG 4.25Å
326G90Very high92.3Very high7 Ų739.3 Ų39.37%0.07224%0.238CC..EExtended strand (participates in β ladder)trans-167.2175.5176.500000111.2T407 Y408 L409G326-T407 PolarHBondContact N-O 3.36Å; G326-Y408 CarbonylContact O-C 3.46Å; G326-Y408 WeakPolarHBondContact O-CA 3.43Å; G326-L409 PolarHBondContact O-N 3.05Å
327P90.7Very high92.3Very high50 Ų5041.5 Ų41.533%0.32525%0.247SC..EExtended strand (participates in β ladder)trans-74.4149.5-178.931.3-36.6000113S329 G330 Y408P327-S329 WeakPolarHBondContact CB-OG 3.22Å; P327-S329 WeakPolarHBondContact CG-OG 3.4Å; P327-S329 PolarHBondContact O-N 2.65Å; P327-G330 PolarHBondContact O-N 3.13Å; P327-Y408 WeakPolarHBondContact O-CD1 3.25Å
328S91.2Very high92.4Very high18 Ų1837 Ų3713%0.12623%0.226CC..THydrogen-bonded Turntrans-56-17.1172.643.70000115.1G330 S382 L383 L409 S411S328-G330 PolarHBondContact O-N 2.94Å; S328-S382 CarbonylContact O-C 3.45Å; S328-S382 WeakPolarHBondContact O-CA 3.43Å; S328-L383 CarbonylContact C-O 3.41Å; S328-L383 VanDerWaalsContact CA-O 3.25Å; S328-L383 WeakPolarHBondContact CA-O 3.33Å; S328-L383 WeakPolarHBondContact CB-O 3.48Å; S328-L383 PolarHBondContact O-N 3.41Å; S328-L383 VanDerWaalsContact O-N 3.15Å; S328-L383 VanDerWaalsContact O-O 3.04Å; S328-L409 WeakPolarHBondContact CB-O 3.22Å; S328-L409 PolarHBondContact N-O 2.81Å; S328-L409 PolarHBondContact OG-O 3.2Å; S328-S411 WeakPolarHBondContact OG-CB 3.41Å; S328-S411 PolarHBondContact OG-N 3.44Å; S328-S411 PolarHBondContact OG-OG 3.04Å
329S89.8Confident92.3Very high74 Ų7440.7 Ų40.752%0.51724%0.239SC..THydrogen-bonded Turntrans-67.6-10.5170.557.50000114.3P327 S382P327-S329 WeakPolarHBondContact CB-OG 3.22Å; P327-S329 WeakPolarHBondContact CG-OG 3.4Å; P327-S329 PolarHBondContact O-N 2.65Å; S329-S382 WeakPolarHBondContact O-CB 3.48Å
330G90.4Very high92.3Very high8 Ų840.4 Ų40.48%0.08224%0.235CC..  trans71.8-156.2-173.300000112.5P327 S328 T332 M380 P381P327-G330 PolarHBondContact O-N 3.13Å; S328-G330 PolarHBondContact O-N 2.94Å; G330-T332 VanDerWaalsContact C-N 3.27Å; G330-T332 PolarHBondContact O-N 2.98Å; G330-M380 CarbonylContact C-O 3.58Å; G330-M380 WeakPolarHBondContact CA-O 3.49Å; G330-P381 WeakPolarHBondContact CA-O 3.42Å
331G87.6Confident92.3Very high70 Ų7038 Ų3872%0.72223%0.226SC*.  trans74.311.5178.200000114.8M380G331-M380 PolarHBondContact N-O 3.37Å
332T90.7Very high92.2Very high23 Ų2340.2 Ų40.214%0.14124%0.24CC..EExtended strand (participates in β ladder)trans-84.8122.9173.9-55.90000109.4P323 G330 L334 M380 F406P323-T332 HydrophobicContact CG-CG2 3.62Å; G330-T332 VanDerWaalsContact C-N 3.27Å; G330-T332 PolarHBondContact O-N 2.98Å; T332-L334 PolarHBondContact O-N 3.04Å; T332-M380 WeakPolarHBondContact O-CB 3.29Å; T332-M380 WeakPolarHBondContact O-CG 3.22Å; T332-M380 PolarHBondContact O-N 3.08Å; T332-F406 HydrophobicContact CG2-CE2 4.36Å; T332-F406 HydrophobicContact CG2-CZ 4.19Å
333E94.4Very high92Very high84 Ų8441.9 Ų41.939%0.39325%0.247SC..EExtended strand (participates in β ladder)trans-72114.5166.9-173-174.7173.200108.7P323 R377P323-E333 WeakPolarHBondContact CD-O 3.25Å; E333-R377 WeakPolarHBondContact OE1-CD 3.49Å; E333-R377 IonicContact OE1-CZ 3.87Å; E333-R377 IonicContact OE1-NE 2.94Å; E333-R377 IonicContact OE1-NH1 3.9Å; E333-R377 PolarHBondContact OE1-NH1 2.9Å
334L94.7Very high91.8Very high0 Ų045 Ų450%026%0.257CS..EExtended strand (participates in β ladder)trans-103.1123.4177-178.367.9000109.9I321 P323 T332 I336 R377 V378 M380 I390 F406I321-L334 HydrophobicContact CB-CD1 3.82Å; I321-L334 HydrophobicContact CB-CD2 4.33Å; I321-L334 HydrophobicContact CB-CG 4.36Å; I321-L334 HydrophobicContact CD1-CD1 4.38Å; I321-L334 HydrophobicContact CG1-CD1 4.29Å; I321-L334 HydrophobicContact CG2-CD2 4.42Å; P323-L334 WeakPolarHBondContact O-CD1 3.29Å; T332-L334 PolarHBondContact O-N 3.04Å; L334-I336 HydrophobicContact CD2-CD1 4.49Å; L334-I336 HydrophobicContact CD2-CG1 4.14Å; L334-I336 HydrophobicContact CG-CG1 4.3Å; L334-R377 CarbonylContact O-C 3.55Å; L334-R377 VanDerWaalsContact O-CA 3.31Å; L334-R377 WeakPolarHBondContact O-CA 3.13Å; L334-V378 HydrophobicContact CB-CB 4.46Å; L334-V378 WeakPolarHBondContact CB-O 3.42Å; L334-V378 PolarHBondContact N-O 3.32Å; L334-V378 PolarHBondContact O-N 2.75Å; L334-M380 HydrophobicContact CB-CG 3.71Å; L334-M380 HydrophobicContact CB-SD 3.81Å; L334-M380 HydrophobicContact CD2-CE 4.03Å; L334-M380 HydrophobicContact CD2-CG 4.37Å; L334-M380 HydrophobicContact CD2-SD 3.54Å; L334-M380 VanDerWaalsContact CD2-SD 3.54Å; L334-M380 HydrophobicContact CG-SD 4.3Å; L334-I390 HydrophobicContact CD2-CD1 3.31Å; L334-F406 HydrophobicContact CD1-CD2 3.89Å; L334-F406 HydrophobicContact CD1-CE2 4.07Å; L334-F406 HydrophobicContact CD2-CD2 4.25Å
335T95.8Very high91.8Very high21 Ų2140.9 Ų40.913%0.12924%0.24CC..EExtended strand (participates in β ladder)trans-97117.6170.6-53.50000110.1I321 A322 Y337 Q375I321-T335 CarbonylContact C-O 3.53Å; I321-T335 WeakPolarHBondContact CA-O 3.03Å; A322-T335 PolarHBondContact N-O 2.84Å; A322-T335 PolarHBondContact O-N 2.85Å; T335-Y337 HydrophobicContact CG2-CD2 4.09Å; T335-Y337 HydrophobicContact CG2-CE1 4.44Å; T335-Y337 HydrophobicContact CG2-CE2 3.51Å; T335-Q375 HydrophobicContact CG2-CB 4.08Å; T335-Q375 HydrophobicContact CG2-CG 4.19Å
336I95.9Very high91.8Very high0 Ų038.2 Ų38.20%022%0.222CC..EExtended strand (participates in β ladder)trans-99.1125.1172.6-49.3172.3000107.4L318 R320 I321 L334 C338 Q375 L376 V378 I390L318-I336 HydrophobicContact CB-CG2 4.26Å; L318-I336 HydrophobicContact CD2-CG2 4.18Å; R320-I336 WeakPolarHBondContact O-CA 3.35Å; I321-I336 HydrophobicContact CG2-CG1 4.12Å; I321-I336 HydrophobicContact CG2-CG2 4.33Å; L334-I336 HydrophobicContact CD2-CD1 4.49Å; L334-I336 HydrophobicContact CD2-CG1 4.14Å; L334-I336 HydrophobicContact CG-CG1 4.3Å; I336-C338 PolarHBondContact O-SG 2.74Å; I336-Q375 CarbonylContact O-C 3.59Å; I336-Q375 WeakPolarHBondContact O-CA 3.2Å; I336-L376 HydrophobicContact CB-CB 4.29Å; I336-L376 WeakPolarHBondContact CB-O 3.34Å; I336-L376 HydrophobicContact CD1-CD2 4.13Å; I336-L376 HydrophobicContact CD1-CG 4.34Å; I336-L376 PolarHBondContact N-O 3.08Å; I336-L376 PolarHBondContact O-N 3.45Å; I336-V378 HydrophobicContact CD1-CG2 3.67Å; I336-V378 HydrophobicContact CG1-CG2 4.36Å; I336-I390 HydrophobicContact CD1-CG2 3.69Å
337Y94.1Very high91.9Very high49 Ų4944 Ų4419%0.19225%0.245CC..EExtended strand (participates in β ladder)trans-94.8124179.4-67-102.5000109.1L319 R320 A322 T335 Q375L319-Y337 WeakPolarHBondContact CB-O 3.36Å; L319-Y337 PolarHBondContact N-O 2.85Å; R320-Y337 HydrophobicContact CG-CD2 3.88Å; R320-Y337 HydrophobicContact CG-CG 4.08Å; R320-Y337 VanDerWaalsContact NH2-CE2 3.31Å; R320-Y337 PolarHBondContact NH2-OH 2.84Å; R320-Y337 PolarHBondContact O-N 2.69Å; A322-Y337 HydrophobicContact CB-CE2 4.34Å; T335-Y337 HydrophobicContact CG2-CD2 4.09Å; T335-Y337 HydrophobicContact CG2-CE1 4.44Å; T335-Y337 HydrophobicContact CG2-CE2 3.51Å; Y337-Q375 HydrophobicContact CD1-CG 3.88Å; Y337-Q375 HydrophobicContact CE1-CG 3.92Å
338C93.7Very high91.8Very high0 Ų048.4 Ų48.40%026%0.261CS..EExtended strand (participates in β ladder)trans-122.1152.4-165.9-52.80000110.9E317 L318 I336 L341 S374E317-C338 CarbonylContact O-C 3.54Å; E317-C338 VanDerWaalsContact O-CA 3.23Å; E317-C338 WeakPolarHBondContact O-CA 3.23Å; L318-C338 HydrophobicContact CD2-CB 4.17Å; L318-C338 WeakPolarHBondContact CD2-SG 3.27Å; I336-C338 PolarHBondContact O-SG 2.74Å; C338-L341 HydrophobicContact CB-CB 3.76Å; C338-L341 HydrophobicContact CB-CD2 3.91Å; C338-S374 PolarHBondContact N-O 3.34Å; C338-S374 PolarHBondContact O-N 3.21Å
339R92.4Very high91.9Very high79 Ų7947.9 Ų47.930%0.29826%0.257SS..EExtended strand (participates in β ladder)trans-114.1143.9162.9-67.4-176.680.6-150.77.6111.4P316 E317 L319 L341 D372 L373P316-R339 VanDerWaalsContact CA-O 3.25Å; P316-R339 WeakPolarHBondContact CA-O 3.4Å; E317-R339 HydrophobicContact CB-CB 4.46Å; E317-R339 PolarHBondContact N-O 2.85Å; E317-R339 PolarHBondContact O-N 3.19Å; L319-R339 HydrophobicContact CD1-CG 3.85Å; L319-R339 HydrophobicContact CD2-CG 4.27Å; L319-R339 HydrophobicContact CG-CG 4.21Å; R339-L341 PolarHBondContact O-N 3.42Å; R339-D372 CarbonylContact C-O 3.56Å; R339-D372 WeakPolarHBondContact CA-O 3.27Å; R339-D372 WeakPolarHBondContact CB-O 3.46Å; R339-D372 IonicContact CZ-OD2 2.71Å; R339-D372 VanDerWaalsContact CZ-OD2 3.25Å; R339-D372 IonicContact NE-OD2 3.51Å; R339-D372 PolarHBondContact NE-OD2 3.13Å; R339-D372 IonicContact NH2-OD2 3.05Å; R339-D372 PolarHBondContact NH2-OD2 3.44Å; R339-L373 HydrophobicContact CG-CD2 3.83Å
340F90.9Very high92.2Very high59 Ų5947.3 Ų47.326%0.25925%0.251SS..SBendtrans53.39.9178.6-46.1-67.7000116S314 T342 I345 D372S314-F340 WeakPolarHBondContact O-CB 3.33Å; S314-F340 WeakPolarHBondContact OG-CD1 3.27Å; S314-F340 WeakPolarHBondContact OG-CG 3.26Å; F340-T342 PolarHBondContact O-N 3.46Å; F340-I345 WeakPolarHBondContact O-CD1 3.41Å; F340-D372 HydrophobicContact CD1-CB 4.03Å; F340-D372 HydrophobicContact CE1-CB 3.51Å; F340-D372 HydrophobicContact CZ-CB 4.08Å; F340-D372 PolarHBondContact N-O 3.24Å
341L92Very high92.5Very high2 Ų247 Ų471%0.0125%0.247CC..  trans-83.5113176.1-173.473.4000108.6P316 L318 C338 R339 I345 M346 L365 S374 L376 I392 I400P316-L341 HydrophobicContact CB-CB 4.1Å; P316-L341 HydrophobicContact CB-CD1 3.93Å; P316-L341 HydrophobicContact CG-CD1 4.46Å; L318-L341 HydrophobicContact CD2-CD2 4.17Å; C338-L341 HydrophobicContact CB-CB 3.76Å; C338-L341 HydrophobicContact CB-CD2 3.91Å; R339-L341 PolarHBondContact O-N 3.42Å; L341-I345 HydrophobicContact CD1-CB 4.47Å; L341-I345 HydrophobicContact CD1-CG2 4.01Å; L341-M346 HydrophobicContact CD1-CG 4.32Å; L341-M346 HydrophobicContact CD1-SD 3.74Å; L341-M346 HydrophobicContact CD2-CG 4.42Å; L341-M346 HydrophobicContact CD2-SD 3.94Å; L341-M346 HydrophobicContact CG-CG 4.2Å; L341-M346 HydrophobicContact CG-SD 4.02Å; L341-L365 HydrophobicContact CD2-CD1 3.84Å; L341-L365 HydrophobicContact CG-CD1 4.24Å; L341-S374 WeakPolarHBondContact O-CB 3.44Å; L341-S374 PolarHBondContact O-OG 2.82Å; L341-L376 HydrophobicContact CD2-CB 4.33Å; L341-L376 HydrophobicContact CD2-CD2 4.38Å; L341-I392 HydrophobicContact CD1-CD1 3.98Å; L341-I392 HydrophobicContact CD2-CD1 3.52Å; L341-I392 HydrophobicContact CG-CD1 4.42Å; L341-I400 HydrophobicContact CD1-CD1 4.42Å
342T91.1Very high93Very high51 Ų5145.3 Ų45.331%0.31322%0.22SC..  trans-113.4164.5-177.565.90000111.7F340 E344 I345 M346F340-T342 PolarHBondContact O-N 3.46Å; T342-E344 PolarHBondContact O-N 3.46Å; T342-I345 WeakPolarHBondContact O-CB 3.26Å; T342-I345 PolarHBondContact O-N 3.05Å; T342-I345 VanDerWaalsContact O-N 3.14Å; T342-M346 PolarHBondContact O-N 2.96Å
343T90.7Very high93.2Very high65 Ų6544.2 Ų44.240%0.39921%0.213SC..Hα-helixtrans-60.1-33.4178.1-59.60000111M346 K347 L365 E367T343-M346 CarbonylContact O-C 3.56Å; T343-M346 PolarHBondContact O-N 2.89Å; T343-K347 WeakPolarHBondContact O-CG 3.49Å; T343-K347 PolarHBondContact O-N 3.24Å; T343-L365 VanDerWaalsContact N-CD2 3.34Å; T343-E367 WeakPolarHBondContact CB-OE1 3.39Å; T343-E367 PolarHBondContact N-OE1 2.95Å; T343-E367 PolarHBondContact OG1-OE1 2.87Å
344E88.5Confident93.2Very high124 Ų12440.6 Ų40.658%0.57920%0.198SC*.Hα-helixtrans-61.6-45.9175.8-157.563.1-129.400111.8T342 M346 K347T342-E344 PolarHBondContact O-N 3.46Å; E344-M346 VanDerWaalsContact C-N 3.32Å; E344-M346 PolarHBondContact O-N 2.89Å; E344-K347 PolarHBondContact O-N 2.85Å; E344-K347 WeakPolarHBondContact OE1-CD 3.33Å; E344-K347 IonicContact OE1-NZ 3.32Å; E344-K347 PolarHBondContact OE1-NZ 3.24Å; E344-K347 WeakPolarHBondContact OE2-CE 3.34Å; E344-K347 IonicContact OE2-NZ 3.63Å; E344-K347 PolarHBondContact OE2-NZ 2.88Å
345I91Very high93.1Very high17 Ų1747.3 Ų47.39%0.08723%0.234CC..Hα-helixtrans-61.5-44.7173.9-59.6170.8000109.3P316 F340 L341 T342 K347 S349 S394 F397P316-I345 HydrophobicContact CB-CD1 4.48Å; P316-I345 HydrophobicContact CG-CD1 4.29Å; F340-I345 WeakPolarHBondContact O-CD1 3.41Å; L341-I345 HydrophobicContact CD1-CB 4.47Å; L341-I345 HydrophobicContact CD1-CG2 4.01Å; T342-I345 WeakPolarHBondContact O-CB 3.26Å; T342-I345 PolarHBondContact O-N 3.05Å; T342-I345 VanDerWaalsContact O-N 3.14Å; I345-K347 PolarHBondContact O-N 3.22Å; I345-S349 WeakPolarHBondContact O-CB 3.23Å; I345-S349 PolarHBondContact O-OG 2.86Å; I345-S394 WeakPolarHBondContact CG2-OG 3.44Å; I345-F397 HydrophobicContact CD1-CD2 4.18Å; I345-F397 HydrophobicContact CD1-CE2 3.57Å; I345-F397 HydrophobicContact CD1-CZ 4.44Å; I345-F397 HydrophobicContact CG1-CD2 4.46Å; I345-F397 HydrophobicContact CG1-CE2 3.94Å; I345-F397 HydrophobicContact CG2-CD2 4.18Å; I345-F397 HydrophobicContact CG2-CE2 4.49Å
346M93.1Very high93Very high2 Ų250.2 Ų50.21%0.0125%0.246CC..Hα-helixtrans-70.2-22.4-177.5-66.3-54.5-65.900114.8L341 T342 T343 E344 Q348 S349 V351 W363 L365 L376 I392L341-M346 HydrophobicContact CD1-CG 4.32Å; L341-M346 HydrophobicContact CD1-SD 3.74Å; L341-M346 HydrophobicContact CD2-CG 4.42Å; L341-M346 HydrophobicContact CD2-SD 3.94Å; L341-M346 HydrophobicContact CG-CG 4.2Å; L341-M346 HydrophobicContact CG-SD 4.02Å; T342-M346 PolarHBondContact O-N 2.96Å; T343-M346 CarbonylContact O-C 3.56Å; T343-M346 PolarHBondContact O-N 2.89Å; E344-M346 VanDerWaalsContact C-N 3.32Å; E344-M346 PolarHBondContact O-N 2.89Å; M346-Q348 PolarHBondContact O-N 3.07Å; M346-Q348 VanDerWaalsContact O-N 3.15Å; M346-S349 PolarHBondContact O-N 2.94Å; M346-V351 HydrophobicContact CE-CG2 3.75Å; M346-W363 HydrophobicContact CB-CH2 4.18Å; M346-W363 HydrophobicContact CB-CZ3 4.01Å; M346-W363 HydrophobicContact CE-CD2 4.39Å; M346-W363 HydrophobicContact CE-CE3 3.77Å; M346-W363 HydrophobicContact CE-CH2 3.51Å; M346-W363 HydrophobicContact CE-CZ2 4.13Å; M346-W363 HydrophobicContact CE-CZ3 3.31Å; M346-W363 HydrophobicContact CG-CZ3 4.46Å; M346-L365 HydrophobicContact CG-CB 4.46Å; M346-L365 HydrophobicContact CG-CD2 4.01Å; M346-L376 HydrophobicContact CE-CD1 4.08Å; M346-L376 HydrophobicContact CE-CD2 4.1Å; M346-I392 HydrophobicContact CE-CD1 4.26Å; M346-I392 HydrophobicContact CE-CG2 4.25Å; M346-I392 HydrophobicContact SD-CD1 3.91Å; M346-I392 HydrophobicContact SD-CG2 3.99Å
347K90.2Very high93Very high128 Ų12854.2 Ų54.256%0.55727%0.272SS*.THydrogen-bonded Turntrans-54.7-34178.9-81.5173.4-167.5171.60113.8T343 E344 I345T343-K347 WeakPolarHBondContact O-CG 3.49Å; T343-K347 PolarHBondContact O-N 3.24Å; E344-K347 PolarHBondContact O-N 2.85Å; E344-K347 WeakPolarHBondContact OE1-CD 3.33Å; E344-K347 IonicContact OE1-NZ 3.32Å; E344-K347 PolarHBondContact OE1-NZ 3.24Å; E344-K347 WeakPolarHBondContact OE2-CE 3.34Å; E344-K347 IonicContact OE2-NZ 3.63Å; E344-K347 PolarHBondContact OE2-NZ 2.88Å; I345-K347 PolarHBondContact O-N 3.22Å
348Q89.1Confident93Very high143 Ų14352.3 Ų52.367%0.66827%0.266SS*.THydrogen-bonded Turntrans-118.414.6-179.3-59.4-172.74.200112.7M346 V395M346-Q348 PolarHBondContact O-N 3.07Å; M346-Q348 VanDerWaalsContact O-N 3.15Å; Q348-V395 HydrophobicContact CB-CG2 3.92Å
349S94.3Very high93Very high7 Ų755 Ų555%0.04928%0.284CS..  trans-104.6151.8-179.9-58.20000112.2I345 M346 D393 S394I345-S349 WeakPolarHBondContact O-CB 3.23Å; I345-S349 PolarHBondContact O-OG 2.86Å; M346-S349 PolarHBondContact O-N 2.94Å; S349-D393 CarbonylContact C-O 3.56Å; S349-D393 WeakPolarHBondContact CA-O 3.49Å; S349-D393 WeakPolarHBondContact CB-O 3.32Å; S349-S394 WeakPolarHBondContact OG-CA 3.32Å; S349-S394 WeakPolarHBondContact OG-CB 3.17Å; S349-S394 PolarHBondContact OG-OG 3.32Å
350T95.6Very high93Very high62 Ų6257.4 Ų57.438%0.3829%0.293SS..EExtended strand (participates in β ladder)trans-117135.7176-56.80000110.5F352 P357 I392 D393T350-F352 HydrophobicContact CG2-CD2 4.15Å; T350-F352 HydrophobicContact CG2-CE2 3.6Å; T350-F352 HydrophobicContact CG2-CZ 3.88Å; T350-P357 HydrophobicContact CG2-CB 4.03Å; T350-I392 CarbonylContact O-C 3.4Å; T350-I392 WeakPolarHBondContact O-CA 3.35Å; T350-D393 PolarHBondContact N-O 3.48Å; T350-D393 PolarHBondContact O-N 3.03Å
351V96.9Very high93.1Very high0 Ų061.7 Ų61.70%032%0.319CS..EExtended strand (participates in β ladder)trans-91.5136176.9-176.50000109.5M346 V358 W363 L376 V378 I392M346-V351 HydrophobicContact CE-CG2 3.75Å; V351-V358 HydrophobicContact CB-CB 4.41Å; V351-V358 HydrophobicContact CG1-CG2 4.36Å; V351-V358 PolarHBondContact O-N 2.91Å; V351-W363 HydrophobicContact CB-CG 4.27Å; V351-W363 HydrophobicContact CG2-CD2 3.67Å; V351-W363 HydrophobicContact CG2-CE3 4.28Å; V351-W363 HydrophobicContact CG2-CG 3.76Å; V351-W363 HydrophobicContact CG2-CZ2 4.28Å; V351-L376 HydrophobicContact CG2-CD1 4.43Å; V351-L376 HydrophobicContact CG2-CD2 3.91Å; V351-V378 HydrophobicContact CG1-CG1 4.24Å; V351-V378 HydrophobicContact CG1-CG2 4.07Å; V351-I392 HydrophobicContact CG2-CG1 4.44Å
352F97.2Very high93.2Very high35 Ų3565 Ų6515%0.15434%0.337CS..EExtended strand (participates in β ladder)trans-127.1144.5-179.3-71-95.8000112.5T350 H356 P357 I390 Y391 D393T350-F352 HydrophobicContact CG2-CD2 4.15Å; T350-F352 HydrophobicContact CG2-CE2 3.6Å; T350-F352 HydrophobicContact CG2-CZ 3.88Å; F352-H356 WeakPolarHBondContact CA-O 3.5Å; F352-P357 HydrophobicContact CD1-CB 3.99Å; F352-P357 HydrophobicContact CE1-CB 3.71Å; F352-P357 HydrophobicContact CE1-CG 4.29Å; F352-P357 HydrophobicContact CZ-CB 4.24Å; F352-I390 WeakPolarHBondContact O-CA 3.44Å; F352-Y391 HydrophobicContact CB-CD1 4.16Å; F352-Y391 HydrophobicContact CB-CD2 3.84Å; F352-Y391 HydrophobicContact CB-CE1 3.8Å; F352-Y391 HydrophobicContact CB-CE2 3.47Å; F352-Y391 VanDerWaalsContact CB-CE2 3.47Å; F352-Y391 HydrophobicContact CB-CG 4.18Å; F352-Y391 VanDerWaalsContact CB-CZ 3.42Å; F352-Y391 HydrophobicContact CD1-CE2 4.17Å; F352-Y391 AromaticContact CD2-CD2 3.86Å; F352-Y391 HydrophobicContact CD2-CD2 3.86Å; F352-Y391 AromaticContact CD2-CE2 3.4Å; F352-Y391 HydrophobicContact CD2-CE2 3.4Å; F352-Y391 HydrophobicContact CE2-CE2 4.11Å; F352-Y391 HydrophobicContact CG-CD2 4.1Å; F352-Y391 AromaticContact CG-CE2 3.43Å; F352-Y391 HydrophobicContact CG-CE2 3.43Å; F352-Y391 VanDerWaalsContact CG-CE2 3.43Å; F352-Y391 AromaticContact CG-CZ 3.65Å; F352-Y391 PolarHBondContact N-O 2.92Å; F352-Y391 PolarHBondContact O-N 3.07Å; F352-D393 HydrophobicContact CD2-CB 4.28Å; F352-D393 HydrophobicContact CE2-CB 3.8Å
353V96.2Very high93.4Very high0 Ų062.9 Ų62.90%032%0.323CS..EExtended strand (participates in β ladder)trans-119.299.6170.3-178.60000107.6D355 H356 V358 M380 L383 Y388 I390 Y408V353-D355 PolarHBondContact O-N 2.89Å; V353-H356 PolarHBondContact N-O 2.93Å; V353-H356 WeakPolarHBondContact O-CB 3.36Å; V353-H356 PolarHBondContact O-N 3.43Å; V353-H356 VanDerWaalsContact O-N 3.14Å; V353-V358 HydrophobicContact CG2-CG2 3.75Å; V353-M380 HydrophobicContact CB-CE 4.38Å; V353-M380 HydrophobicContact CG1-CE 3.68Å; V353-M380 HydrophobicContact CG2-CE 3.7Å; V353-M380 HydrophobicContact CG2-SD 4.02Å; V353-L383 HydrophobicContact CB-CD1 4.22Å; V353-L383 HydrophobicContact CG1-CD1 3.72Å; V353-Y388 HydrophobicContact CG1-CD1 4.21Å; V353-Y388 HydrophobicContact CG1-CG 4.16Å; V353-I390 HydrophobicContact CG2-CG1 4.43Å; V353-Y408 HydrophobicContact CG1-CE2 3.91Å
354G93.4Very high93.6Very high8 Ų864 Ų648%0.08232%0.322CS..THydrogen-bonded Turntrans58.2-124.3-16200000110.8H356 S389 Y391G354-H356 VanDerWaalsContact C-N 3.34Å; G354-S389 PolarHBondContact N-O 3.03Å; G354-Y391 WeakPolarHBondContact O-CE1 3.47Å; G354-Y391 PolarHBondContact O-OH 3.27Å
355D92.3Very high93.9Very high141 Ų14159.3 Ų59.375%0.75430%0.301SS*.THydrogen-bonded Turntrans-90.85.3177.9-57.1-49000113.5V353V353-D355 PolarHBondContact O-N 2.89Å
356H93.7Very high93.9Very high83 Ų8361.6 Ų61.638%0.38431%0.314SS..EExtended strand (participates in β ladder)trans-98.5115.5-177.3-58.6-80.3000111.3F352 V353 G354 L383F352-H356 WeakPolarHBondContact CA-O 3.5Å; V353-H356 PolarHBondContact N-O 2.93Å; V353-H356 WeakPolarHBondContact O-CB 3.36Å; V353-H356 PolarHBondContact O-N 3.43Å; V353-H356 VanDerWaalsContact O-N 3.14Å; G354-H356 VanDerWaalsContact C-N 3.34Å; H356-L383 HydrophobicContact CB-CD1 4.35Å; H356-L383 HydrophobicContact CB-CD2 4.27Å; H356-L383 WeakPolarHBondContact CD2-CD2 3.4Å
357P95.8Very high93.6Very high84 Ų8466.1 Ų66.155%0.54534%0.335SS..EExtended strand (participates in β ladder)trans-69.6141.2170.729-33.2000110.4T350 F352T350-P357 HydrophobicContact CG2-CB 4.03Å; F352-P357 HydrophobicContact CD1-CB 3.99Å; F352-P357 HydrophobicContact CE1-CB 3.71Å; F352-P357 HydrophobicContact CE1-CG 4.29Å; F352-P357 HydrophobicContact CZ-CB 4.24Å
358V95.3Very high93Very high9 Ų962.5 Ų62.56%0.05533%0.326CS..PPolyproline II helixtrans-93.8138.9176.1-174.40000109.3V351 V353 D362 V378V351-V358 HydrophobicContact CB-CB 4.41Å; V351-V358 HydrophobicContact CG1-CG2 4.36Å; V351-V358 PolarHBondContact O-N 2.91Å; V353-V358 HydrophobicContact CG2-CG2 3.75Å; V358-D362 HydrophobicContact CG1-CB 3.48Å; V358-D362 VanDerWaalsContact CG1-CB 3.48Å; V358-V378 HydrophobicContact CB-CG1 4.41Å; V358-V378 HydrophobicContact CG1-CG1 3.93Å; V358-V378 HydrophobicContact CG2-CG1 4.05Å
359S93.7Very high92.2Very high55 Ų5562.1 Ų62.139%0.38534%0.339SS..PPolyproline II helixtrans-58.9152.2-178.8-167.40000111.5D361 D362 W363S359-D361 PolarHBondContact O-N 2.88Å; S359-D362 WeakPolarHBondContact CB-OD2 3.47Å; S359-D362 PolarHBondContact O-N 3.44Å; S359-D362 VanDerWaalsContact O-N 3.07Å; S359-W363 PolarHBondContact O-NE1 3.5Å
360R92.3Very high90.9Very high130 Ų13067 Ų6749%0.49136%0.361SS..G310 helixtrans-61.9-29.4177.5-176.560.6-16791.7-12.9112.1W363R360-W363 VanDerWaalsContact CZ-CH2 3.46Å; R360-W363 VanDerWaalsContact CZ-CZ3 3.42Å; R360-W363 PolarHBondContact NH1-O 3.05Å
361D93.4Very high89.6Confident150 Ų15070 Ų7080%0.80239%0.385SS*.G310 helixtrans-79.5-21.8178.3-47.8-63.2000112.8S359 W363S359-D361 PolarHBondContact O-N 2.88Å; D361-W363 VanDerWaalsContact C-N 3.31Å; D361-W363 PolarHBondContact O-N 2.71Å
362D94.5Very high88.9Confident71 Ų7171.7 Ų71.738%0.3839%0.394SS..G310 helixtrans-84.51-179.8-74.2-47.2000112.8V358 S359 V378 H379V358-D362 HydrophobicContact CG1-CB 3.48Å; V358-D362 VanDerWaalsContact CG1-CB 3.48Å; S359-D362 WeakPolarHBondContact CB-OD2 3.47Å; S359-D362 PolarHBondContact O-N 3.44Å; S359-D362 VanDerWaalsContact O-N 3.07Å; D362-V378 CarbonylContact O-C 3.55Å; D362-H379 HydrophobicContact CB-CB 4.14Å; D362-H379 PolarHBondContact O-N 3.44Å
363W94.7Very high88.5Confident7 Ų771.5 Ų71.53%0.02739%0.394CS..EExtended strand (participates in β ladder)trans-144.5147.9174.363.3-98.9000114.6M346 V351 S359 R360 D361 L376 R377 V378M346-W363 HydrophobicContact CB-CH2 4.18Å; M346-W363 HydrophobicContact CB-CZ3 4.01Å; M346-W363 HydrophobicContact CE-CD2 4.39Å; M346-W363 HydrophobicContact CE-CE3 3.77Å; M346-W363 HydrophobicContact CE-CH2 3.51Å; M346-W363 HydrophobicContact CE-CZ2 4.13Å; M346-W363 HydrophobicContact CE-CZ3 3.31Å; M346-W363 HydrophobicContact CG-CZ3 4.46Å; V351-W363 HydrophobicContact CB-CG 4.27Å; V351-W363 HydrophobicContact CG2-CD2 3.67Å; V351-W363 HydrophobicContact CG2-CE3 4.28Å; V351-W363 HydrophobicContact CG2-CG 3.76Å; V351-W363 HydrophobicContact CG2-CZ2 4.28Å; S359-W363 PolarHBondContact O-NE1 3.5Å; R360-W363 VanDerWaalsContact CZ-CH2 3.46Å; R360-W363 VanDerWaalsContact CZ-CZ3 3.42Å; R360-W363 PolarHBondContact NH1-O 3.05Å; D361-W363 VanDerWaalsContact C-N 3.31Å; D361-W363 PolarHBondContact O-N 2.71Å; W363-L376 HydrophobicContact CB-CD1 4.23Å; W363-L376 HydrophobicContact CD2-CD1 4.36Å; W363-L376 HydrophobicContact CE3-CD1 3.77Å; W363-R377 CarbonylContact C-O 3.59Å; W363-R377 WeakPolarHBondContact CA-O 3.45Å; W363-R377 WeakPolarHBondContact CB-O 3.46Å; W363-V378 HydrophobicContact CB-CG1 4.48Å; W363-V378 HydrophobicContact CB-CG2 4.21Å
364F94Very high88.3Confident87 Ų8771.9 Ų71.938%0.38240%0.396SS..EExtended strand (participates in β ladder)trans-145.2151.5174.669.4-89.7000112.2D366 L376 R377F364-D366 HydrophobicContact CE2-CB 4.4Å; F364-L376 WeakPolarHBondContact O-CD1 3.36Å; F364-R377 HydrophobicContact CD1-CB 4.09Å; F364-R377 HydrophobicContact CE1-CB 3.76Å; F364-R377 HydrophobicContact CE1-CG 4.21Å; F364-R377 HydrophobicContact CE2-CB 4.3Å; F364-R377 HydrophobicContact CE2-CG 3.99Å; F364-R377 HydrophobicContact CZ-CB 3.89Å; F364-R377 VanDerWaalsContact CZ-CD 3.45Å; F364-R377 HydrophobicContact CZ-CG 3.8Å; F364-R377 PolarHBondContact N-O 2.96Å; F364-R377 PolarHBondContact O-N 2.96Å
365L94.5Very high88.3Confident26 Ų2674.5 Ų74.514%0.13641%0.407CS..EExtended strand (participates in β ladder)trans-100.2133175.7-170.674.8000109.7L341 T343 M346 E367 L376L341-L365 HydrophobicContact CD2-CD1 3.84Å; L341-L365 HydrophobicContact CG-CD1 4.24Å; T343-L365 VanDerWaalsContact N-CD2 3.34Å; M346-L365 HydrophobicContact CG-CB 4.46Å; M346-L365 HydrophobicContact CG-CD2 4.01Å; L365-E367 HydrophobicContact CD2-CG 3.95Å; L365-E367 HydrophobicContact CG-CG 4.38Å; L365-L376 HydrophobicContact CD1-CB 3.98Å
366D91.3Very high88.5Confident65 Ų6567.8 Ų67.835%0.34837%0.371SS..EExtended strand (participates in β ladder)trans-114.2101.4175.6-169.96.7000107F364 S374 Q375 R377F364-D366 HydrophobicContact CE2-CB 4.4Å; D366-S374 CarbonylContact O-C 3.6Å; D366-S374 WeakPolarHBondContact O-CA 3.45Å; D366-Q375 HydrophobicContact CB-CB 4.28Å; D366-Q375 PolarHBondContact N-O 3.33Å; D366-Q375 PolarHBondContact O-N 2.98Å; D366-R377 IonicContact OD2-NH2 2.61Å; D366-R377 PolarHBondContact OD2-NH2 3.03Å
367E86.7Confident88.6Confident97 Ų9767.2 Ų67.245%0.45337%0.365SS..EExtended strand (participates in β ladder)trans-79.1130.9-178.9-75.3-179.3-15100110.8T343 L365T343-E367 WeakPolarHBondContact CB-OE1 3.39Å; T343-E367 PolarHBondContact N-OE1 2.95Å; T343-E367 PolarHBondContact OG1-OE1 2.87Å; L365-E367 HydrophobicContact CD2-CG 3.95Å; L365-E367 HydrophobicContact CG-CG 4.38Å
368S78.6Confident88.6Confident52 Ų5263.2 Ų63.236%0.36434%0.339SS..  trans-72.1155.5175.5-169.70000110.9Q370 L373S368-Q370 PolarHBondContact O-N 3.4Å; S368-Q370 VanDerWaalsContact O-N 3.17Å; S368-Q370 PolarHBondContact OG-N 3.36Å; S368-L373 WeakPolarHBondContact CB-O 3.5Å; S368-L373 PolarHBondContact N-O 2.79Å; S368-L373 VanDerWaalsContact N-O 3.07Å
369S71.6Confident88.6Confident135 Ų13566.4 Ų66.494%0.94435%0.354SS*.SBendtrans-65.5-8162.756.30000113.2
370Q67.8Low88.7Confident109 Ų10964 Ų6451%0.50934%0.336SS..SBendtrans-92116167-63.4-175.8-29.300109.7S368 D372 L373S368-Q370 PolarHBondContact O-N 3.4Å; S368-Q370 VanDerWaalsContact O-N 3.17Å; S368-Q370 PolarHBondContact OG-N 3.36Å; Q370-D372 PolarHBondContact O-N 2.87Å; Q370-L373 PolarHBondContact O-N 3.01Å; Q370-L373 VanDerWaalsContact O-N 3.1Å
371S67.4Low88.8Confident126 Ų12659.6 Ų59.688%0.88133%0.325SS*.THydrogen-bonded Turntrans-62.8-10.4-169.152.20000116.4
372D83.5Confident88.9Confident36 Ų3656.6 Ų56.619%0.19332%0.315CS..THydrogen-bonded Turntrans-101.4-2.6177.784.8-52.2000114.4R339 F340 Q370R339-D372 CarbonylContact C-O 3.56Å; R339-D372 WeakPolarHBondContact CA-O 3.27Å; R339-D372 WeakPolarHBondContact CB-O 3.46Å; R339-D372 IonicContact CZ-OD2 2.71Å; R339-D372 VanDerWaalsContact CZ-OD2 3.25Å; R339-D372 IonicContact NE-OD2 3.51Å; R339-D372 PolarHBondContact NE-OD2 3.13Å; R339-D372 IonicContact NH2-OD2 3.05Å; R339-D372 PolarHBondContact NH2-OD2 3.44Å; F340-D372 HydrophobicContact CD1-CB 4.03Å; F340-D372 HydrophobicContact CE1-CB 3.51Å; F340-D372 HydrophobicContact CZ-CB 4.08Å; F340-D372 PolarHBondContact N-O 3.24Å; Q370-D372 PolarHBondContact O-N 2.87Å
373L86.8Confident88.8Confident31 Ų3154.2 Ų54.216%0.16230%0.303CS..EExtended strand (participates in β ladder)trans-131.8139.4-168.4-78.5160.5000113.6R23 R339 S368 Q370R23-L373 VanDerWaalsContact NH1-CD1 3.3Å; R339-L373 HydrophobicContact CG-CD2 3.83Å; S368-L373 WeakPolarHBondContact CB-O 3.5Å; S368-L373 PolarHBondContact N-O 2.79Å; S368-L373 VanDerWaalsContact N-O 3.07Å; Q370-L373 PolarHBondContact O-N 3.01Å; Q370-L373 VanDerWaalsContact O-N 3.1Å
374S92.3Very high88.7Confident7 Ų760.8 Ų60.85%0.04933%0.334CS..EExtended strand (participates in β ladder)trans-149.4166.7174.956.40000111.8C338 L341 D366C338-S374 PolarHBondContact N-O 3.34Å; C338-S374 PolarHBondContact O-N 3.21Å; L341-S374 WeakPolarHBondContact O-CB 3.44Å; L341-S374 PolarHBondContact O-OG 2.82Å; D366-S374 CarbonylContact O-C 3.6Å; D366-S374 WeakPolarHBondContact O-CA 3.45Å
375Q94.1Very high88.7Confident63 Ų6358.6 Ų58.629%0.29433%0.328SS..EExtended strand (participates in β ladder)trans-124.8112.3178.2-69.7176.178.600109.4T335 I336 Y337 D366T335-Q375 HydrophobicContact CG2-CB 4.08Å; T335-Q375 HydrophobicContact CG2-CG 4.19Å; I336-Q375 CarbonylContact O-C 3.59Å; I336-Q375 WeakPolarHBondContact O-CA 3.2Å; Y337-Q375 HydrophobicContact CD1-CG 3.88Å; Y337-Q375 HydrophobicContact CE1-CG 3.92Å; D366-Q375 HydrophobicContact CB-CB 4.28Å; D366-Q375 PolarHBondContact N-O 3.33Å; D366-Q375 PolarHBondContact O-N 2.98Å
376L96.1Very high88.6Confident0 Ų058.7 Ų58.70%034%0.335CS..EExtended strand (participates in β ladder)trans-88.3114.7170.7171.960.8000108.3I336 L341 M346 V351 W363 F364 L365 V378 I392I336-L376 HydrophobicContact CB-CB 4.29Å; I336-L376 WeakPolarHBondContact CB-O 3.34Å; I336-L376 HydrophobicContact CD1-CD2 4.13Å; I336-L376 HydrophobicContact CD1-CG 4.34Å; I336-L376 PolarHBondContact N-O 3.08Å; I336-L376 PolarHBondContact O-N 3.45Å; L341-L376 HydrophobicContact CD2-CB 4.33Å; L341-L376 HydrophobicContact CD2-CD2 4.38Å; M346-L376 HydrophobicContact CE-CD1 4.08Å; M346-L376 HydrophobicContact CE-CD2 4.1Å; V351-L376 HydrophobicContact CG2-CD1 4.43Å; V351-L376 HydrophobicContact CG2-CD2 3.91Å; W363-L376 HydrophobicContact CB-CD1 4.23Å; W363-L376 HydrophobicContact CD2-CD1 4.36Å; W363-L376 HydrophobicContact CE3-CD1 3.77Å; F364-L376 WeakPolarHBondContact O-CD1 3.36Å; L365-L376 HydrophobicContact CD1-CB 3.98Å; L376-V378 HydrophobicContact CD1-CG2 4.4Å; L376-V378 HydrophobicContact CD2-CG2 4.38Å; L376-V378 HydrophobicContact CG-CG2 3.92Å; L376-I392 HydrophobicContact CD2-CD1 3.51Å; L376-I392 HydrophobicContact CD2-CG1 4Å
377R96Very high88.8Confident71 Ų7163.8 Ų63.827%0.26835%0.35SS..EExtended strand (participates in β ladder)trans-94.6138173.8-52.2-150.5-155.9172.26.1110.4E333 L334 W363 F364 D366E333-R377 WeakPolarHBondContact OE1-CD 3.49Å; E333-R377 IonicContact OE1-CZ 3.87Å; E333-R377 IonicContact OE1-NE 2.94Å; E333-R377 IonicContact OE1-NH1 3.9Å; E333-R377 PolarHBondContact OE1-NH1 2.9Å; L334-R377 CarbonylContact O-C 3.55Å; L334-R377 VanDerWaalsContact O-CA 3.31Å; L334-R377 WeakPolarHBondContact O-CA 3.13Å; W363-R377 CarbonylContact C-O 3.59Å; W363-R377 WeakPolarHBondContact CA-O 3.45Å; W363-R377 WeakPolarHBondContact CB-O 3.46Å; F364-R377 HydrophobicContact CD1-CB 4.09Å; F364-R377 HydrophobicContact CE1-CB 3.76Å; F364-R377 HydrophobicContact CE1-CG 4.21Å; F364-R377 HydrophobicContact CE2-CB 4.3Å; F364-R377 HydrophobicContact CE2-CG 3.99Å; F364-R377 HydrophobicContact CZ-CB 3.89Å; F364-R377 VanDerWaalsContact CZ-CD 3.45Å; F364-R377 HydrophobicContact CZ-CG 3.8Å; F364-R377 PolarHBondContact N-O 2.96Å; F364-R377 PolarHBondContact O-N 2.96Å; D366-R377 IonicContact OD2-NH2 2.61Å; D366-R377 PolarHBondContact OD2-NH2 3.03Å
378V96.5Very high89.2Confident1 Ų161.1 Ų61.11%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-137.9121.6-173.4-1710000109.2L334 I336 V351 V358 D362 W363 L376 M380L334-V378 HydrophobicContact CB-CB 4.46Å; L334-V378 WeakPolarHBondContact CB-O 3.42Å; L334-V378 PolarHBondContact N-O 3.32Å; L334-V378 PolarHBondContact O-N 2.75Å; I336-V378 HydrophobicContact CD1-CG2 3.67Å; I336-V378 HydrophobicContact CG1-CG2 4.36Å; V351-V378 HydrophobicContact CG1-CG1 4.24Å; V351-V378 HydrophobicContact CG1-CG2 4.07Å; V358-V378 HydrophobicContact CB-CG1 4.41Å; V358-V378 HydrophobicContact CG1-CG1 3.93Å; V358-V378 HydrophobicContact CG2-CG1 4.05Å; D362-V378 CarbonylContact O-C 3.55Å; W363-V378 HydrophobicContact CB-CG1 4.48Å; W363-V378 HydrophobicContact CB-CG2 4.21Å; L376-V378 HydrophobicContact CD1-CG2 4.4Å; L376-V378 HydrophobicContact CD2-CG2 4.38Å; L376-V378 HydrophobicContact CG-CG2 3.92Å; V378-M380 HydrophobicContact CB-SD 4.42Å; V378-M380 HydrophobicContact CG1-SD 4.09Å; V378-M380 PolarHBondContact O-N 3.4Å
379H95.7Very high90Very high76 Ų7660.8 Ų60.835%0.35233%0.333SS..EExtended strand (participates in β ladder)trans-79110.2170.7-72.7-109.9000108.2D362D362-H379 HydrophobicContact CB-CB 4.14Å; D362-H379 PolarHBondContact O-N 3.44Å
380M95.3Very high91.2Very high3 Ų354.4 Ų54.42%0.01529%0.288CS..EExtended strand (participates in β ladder)trans-71.3124.5-170.4-64.4-59.5-7700111G330 G331 T332 L334 V353 V378 I390 F406 Y408G330-M380 CarbonylContact C-O 3.58Å; G330-M380 WeakPolarHBondContact CA-O 3.49Å; G331-M380 PolarHBondContact N-O 3.37Å; T332-M380 WeakPolarHBondContact O-CB 3.29Å; T332-M380 WeakPolarHBondContact O-CG 3.22Å; T332-M380 PolarHBondContact O-N 3.08Å; L334-M380 HydrophobicContact CB-CG 3.71Å; L334-M380 HydrophobicContact CB-SD 3.81Å; L334-M380 HydrophobicContact CD2-CE 4.03Å; L334-M380 HydrophobicContact CD2-CG 4.37Å; L334-M380 HydrophobicContact CD2-SD 3.54Å; L334-M380 VanDerWaalsContact CD2-SD 3.54Å; L334-M380 HydrophobicContact CG-SD 4.3Å; V353-M380 HydrophobicContact CB-CE 4.38Å; V353-M380 HydrophobicContact CG1-CE 3.68Å; V353-M380 HydrophobicContact CG2-CE 3.7Å; V353-M380 HydrophobicContact CG2-SD 4.02Å; V378-M380 HydrophobicContact CB-SD 4.42Å; V378-M380 HydrophobicContact CG1-SD 4.09Å; V378-M380 PolarHBondContact O-N 3.4Å; M380-I390 HydrophobicContact CE-CD1 4.14Å; M380-F406 HydrophobicContact CE-CB 3.96Å; M380-F406 HydrophobicContact CE-CD1 3.55Å; M380-F406 HydrophobicContact CE-CD2 4.17Å; M380-F406 HydrophobicContact CE-CE1 3.96Å; M380-F406 HydrophobicContact CE-CG 3.65Å; M380-F406 HydrophobicContact CE-CZ 4.4Å; M380-F406 HydrophobicContact CG-CE1 4.39Å; M380-F406 HydrophobicContact CG-CE2 4.36Å; M380-F406 HydrophobicContact CG-CZ 4.11Å; M380-Y408 HydrophobicContact CE-CE2 4.22Å
381P94.8Very high92.6Very high39 Ų3949.7 Ų49.725%0.25327%0.266SS..  trans-67.7164.6-178.927.3-35000112.1G330 L383 Y408G330-P381 WeakPolarHBondContact CA-O 3.42Å; P381-L383 HydrophobicContact CG-CD1 4.08Å; P381-L383 HydrophobicContact CG-CG 4.15Å; P381-L383 PolarHBondContact O-N 3.13Å; P381-Y408 WeakPolarHBondContact CD-OH 3.44Å; P381-Y408 WeakPolarHBondContact O-CE1 3.44Å; P381-Y408 VanDerWaalsContact O-CZ 3.31Å; P381-Y408 PolarHBondContact O-OH 3.24Å
382S93.8Very high94Very high87 Ų8743.7 Ų43.761%0.60822%0.224SC*.  trans-72.1110.9172.959.10000110.7S328 S329S328-S382 CarbonylContact O-C 3.45Å; S328-S382 WeakPolarHBondContact O-CA 3.43Å; S329-S382 WeakPolarHBondContact O-CB 3.48Å
383L94Very high94.5Very high21 Ų2145.1 Ų45.111%0.1123%0.232CC..  trans-132.1163-177.8-65.8-178.3000111.5S328 V353 H356 P381 Y388 Y408S328-L383 CarbonylContact C-O 3.41Å; S328-L383 VanDerWaalsContact CA-O 3.25Å; S328-L383 WeakPolarHBondContact CA-O 3.33Å; S328-L383 WeakPolarHBondContact CB-O 3.48Å; S328-L383 PolarHBondContact O-N 3.41Å; S328-L383 VanDerWaalsContact O-N 3.15Å; S328-L383 VanDerWaalsContact O-O 3.04Å; V353-L383 HydrophobicContact CB-CD1 4.22Å; V353-L383 HydrophobicContact CG1-CD1 3.72Å; H356-L383 HydrophobicContact CB-CD1 4.35Å; H356-L383 HydrophobicContact CB-CD2 4.27Å; H356-L383 WeakPolarHBondContact CD2-CD2 3.4Å; P381-L383 HydrophobicContact CG-CD1 4.08Å; P381-L383 HydrophobicContact CG-CG 4.15Å; P381-L383 PolarHBondContact O-N 3.13Å; L383-Y388 HydrophobicContact CB-CE1 4.46Å; L383-Y388 HydrophobicContact CB-CE2 4.49Å; L383-Y388 HydrophobicContact CD1-CD1 3.94Å; L383-Y388 HydrophobicContact CD1-CE1 3.83Å; L383-Y408 HydrophobicContact CB-CD1 4.44Å; L383-Y408 HydrophobicContact CB-CD2 4.17Å; L383-Y408 HydrophobicContact CB-CE1 4.14Å; L383-Y408 HydrophobicContact CB-CE2 3.88Å; L383-Y408 HydrophobicContact CB-CG 4.41Å; L383-Y408 HydrophobicContact CD1-CE2 3.77Å; L383-Y408 HydrophobicContact CG-CE2 4.26Å
384Q92.7Very high94.9Very high145 Ų14544.1 Ų44.168%0.67823%0.227SC*.  trans-64.1149.4-179.6-67.6-63.1-22.900111.5G386 Y388Q384-G386 PolarHBondContact O-N 2.93Å; Q384-Y388 WeakPolarHBondContact O-CE2 3.26Å
385P92.4Very high94.7Very high41 Ų4149.1 Ų49.127%0.26626%0.257SS..SBendtrans-57.2123.9174.7-24.735000111.6Y408 H410P385-Y408 CarbonylContact C-O 3.5Å; P385-Y408 WeakPolarHBondContact CA-O 3.37Å; P385-H410 WeakPolarHBondContact CB-ND1 3.28Å; P385-H410 HydrophobicContact CG-CB 4.37Å; P385-H410 WeakPolarHBondContact CG-ND1 3.41Å
386G93Very high94.5Very high28 Ų2850.9 Ų50.929%0.28927%0.266SS..EExtended strand (participates in β ladder)trans168-178.3-170.300000113.1Q384 T407 Y408Q384-G386 PolarHBondContact O-N 2.93Å; G386-T407 CarbonylContact O-C 3.57Å; G386-T407 WeakPolarHBondContact O-CA 3.37Å; G386-Y408 PolarHBondContact N-O 3.41Å; G386-Y408 PolarHBondContact O-N 2.62Å
387R95Very high94.3Very high172 Ų17253 Ų5365%0.64928%0.275SS*.EExtended strand (participates in β ladder)trans-103133.4172.9-79.4172.1159.7-137.2-7.6109.7E405 T407R387-E405 WeakPolarHBondContact CD-OE2 3.4Å; R387-E405 IonicContact CZ-OE2 3.9Å; R387-E405 IonicContact NE-OE2 2.79Å; R387-E405 IonicContact NH1-OE2 2.74Å; R387-E405 PolarHBondContact NH1-OE2 2.85Å; R387-T407 HydrophobicContact CG-CG2 4.36Å
388Y96.1Very high94.1Very high41 Ų4151.1 Ų51.116%0.16128%0.278CS..EExtended strand (participates in β ladder)trans-128.2125.7-178.1-71.2-104.7000108.9V353 L383 Q384 E405 F406 Y408V353-Y388 HydrophobicContact CG1-CD1 4.21Å; V353-Y388 HydrophobicContact CG1-CG 4.16Å; L383-Y388 HydrophobicContact CB-CE1 4.46Å; L383-Y388 HydrophobicContact CB-CE2 4.49Å; L383-Y388 HydrophobicContact CD1-CD1 3.94Å; L383-Y388 HydrophobicContact CD1-CE1 3.83Å; Q384-Y388 WeakPolarHBondContact O-CE2 3.26Å; Y388-E405 CarbonylContact O-C 3.55Å; Y388-E405 WeakPolarHBondContact O-CA 3.49Å; Y388-F406 PolarHBondContact N-O 2.85Å; Y388-F406 PolarHBondContact O-N 2.87Å; Y388-Y408 AromaticContact CD2-CD2 3.51Å; Y388-Y408 HydrophobicContact CD2-CD2 3.51Å; Y388-Y408 HydrophobicContact CD2-CE2 4Å; Y388-Y408 AromaticContact CE2-CD2 3.85Å; Y388-Y408 HydrophobicContact CE2-CD2 3.85Å; Y388-Y408 HydrophobicContact CE2-CE2 4.46Å; Y388-Y408 HydrophobicContact CG-CD2 4.18Å; Y388-Y408 HydrophobicContact CG-CE2 4.22Å
389S95.8Very high94Very high45 Ų4558 Ų5832%0.31530%0.303SS..  trans-65.3154165.654.20000109.8G354G354-S389 PolarHBondContact N-O 3.03Å
390I96.3Very high93.9Very high0 Ų054.7 Ų54.70%029%0.288CS..EExtended strand (participates in β ladder)trans-124.9131.1175.6-64.4166.5000108I321 L334 I336 F352 V353 M380 C402 F406I321-I390 HydrophobicContact CD1-CD1 4.25Å; I321-I390 HydrophobicContact CG2-CD1 4.36Å; L334-I390 HydrophobicContact CD2-CD1 3.31Å; I336-I390 HydrophobicContact CD1-CG2 3.69Å; F352-I390 WeakPolarHBondContact O-CA 3.44Å; V353-I390 HydrophobicContact CG2-CG1 4.43Å; M380-I390 HydrophobicContact CE-CD1 4.14Å; I390-C402 HydrophobicContact CB-CB 4.4Å; I390-C402 VanDerWaalsContact O-CB 3.3Å; I390-C402 WeakPolarHBondContact O-CB 3.42Å; I390-C402 PolarHBondContact O-N 2.76Å; I390-F406 HydrophobicContact CD1-CB 3.8Å
391Y96.5Very high93.9Very high10 Ų1059 Ų594%0.03931%0.311CS..EExtended strand (participates in β ladder)trans-144.5160.3176.958.7-89.5000111.7F352 G354 R399 I400F352-Y391 HydrophobicContact CB-CD1 4.16Å; F352-Y391 HydrophobicContact CB-CD2 3.84Å; F352-Y391 HydrophobicContact CB-CE1 3.8Å; F352-Y391 HydrophobicContact CB-CE2 3.47Å; F352-Y391 VanDerWaalsContact CB-CE2 3.47Å; F352-Y391 HydrophobicContact CB-CG 4.18Å; F352-Y391 VanDerWaalsContact CB-CZ 3.42Å; F352-Y391 HydrophobicContact CD1-CE2 4.17Å; F352-Y391 AromaticContact CD2-CD2 3.86Å; F352-Y391 HydrophobicContact CD2-CD2 3.86Å; F352-Y391 AromaticContact CD2-CE2 3.4Å; F352-Y391 HydrophobicContact CD2-CE2 3.4Å; F352-Y391 HydrophobicContact CE2-CE2 4.11Å; F352-Y391 HydrophobicContact CG-CD2 4.1Å; F352-Y391 AromaticContact CG-CE2 3.43Å; F352-Y391 HydrophobicContact CG-CE2 3.43Å; F352-Y391 VanDerWaalsContact CG-CE2 3.43Å; F352-Y391 AromaticContact CG-CZ 3.65Å; F352-Y391 PolarHBondContact N-O 2.92Å; F352-Y391 PolarHBondContact O-N 3.07Å; G354-Y391 WeakPolarHBondContact O-CE1 3.47Å; G354-Y391 PolarHBondContact O-OH 3.27Å; Y391-R399 HydrophobicContact CD2-CG 3.62Å; Y391-R399 HydrophobicContact CE2-CG 4.31Å; Y391-R399 HydrophobicContact CG-CG 3.9Å; Y391-I400 CarbonylContact C-O 3.59Å; Y391-I400 WeakPolarHBondContact CA-O 3.43Å; Y391-I400 VanDerWaalsContact CB-O 3.26Å; Y391-I400 WeakPolarHBondContact CB-O 3.44Å
392I96.8Very high93.8Very high0 Ų057.4 Ų57.40%030%0.3CS..EExtended strand (participates in β ladder)trans-110.3128.8169.5-57.2171.1000106.2L318 L341 M346 T350 V351 L376 R399 I400L318-I392 HydrophobicContact CD1-CD1 4.04Å; L318-I392 HydrophobicContact CD1-CG1 4.03Å; L318-I392 HydrophobicContact CD2-CD1 3.76Å; L318-I392 HydrophobicContact CG-CD1 4.47Å; L341-I392 HydrophobicContact CD1-CD1 3.98Å; L341-I392 HydrophobicContact CD2-CD1 3.52Å; L341-I392 HydrophobicContact CG-CD1 4.42Å; M346-I392 HydrophobicContact CE-CD1 4.26Å; M346-I392 HydrophobicContact CE-CG2 4.25Å; M346-I392 HydrophobicContact SD-CD1 3.91Å; M346-I392 HydrophobicContact SD-CG2 3.99Å; T350-I392 CarbonylContact O-C 3.4Å; T350-I392 WeakPolarHBondContact O-CA 3.35Å; V351-I392 HydrophobicContact CG2-CG1 4.44Å; L376-I392 HydrophobicContact CD2-CD1 3.51Å; L376-I392 HydrophobicContact CD2-CG1 4Å; I392-R399 CarbonylContact O-C 3.41Å; I392-R399 WeakPolarHBondContact O-CA 3.42Å; I392-I400 HydrophobicContact CB-CB 4.4Å; I392-I400 HydrophobicContact CB-CD1 4.24Å; I392-I400 HydrophobicContact CG2-CD1 4.31Å; I392-I400 PolarHBondContact N-O 2.86Å; I392-I400 PolarHBondContact O-N 3.37Å
393D95.5Very high93.6Very high67 Ų6759.8 Ų59.836%0.35831%0.306SS..EExtended strand (participates in β ladder)trans-97.7120.9169.1-152.613.7000108.5S349 T350 F352S349-D393 CarbonylContact C-O 3.56Å; S349-D393 WeakPolarHBondContact CA-O 3.49Å; S349-D393 WeakPolarHBondContact CB-O 3.32Å; T350-D393 PolarHBondContact N-O 3.48Å; T350-D393 PolarHBondContact O-N 3.03Å; F352-D393 HydrophobicContact CD2-CB 4.28Å; F352-D393 HydrophobicContact CE2-CB 3.8Å
394S93.1Very high93.5Very high9 Ų959.5 Ų59.56%0.06331%0.305CS..EExtended strand (participates in β ladder)trans-127.4137-168.7-171.70000111.8I345 S349 E396 G398I345-S394 WeakPolarHBondContact CG2-OG 3.44Å; S349-S394 WeakPolarHBondContact OG-CA 3.32Å; S349-S394 WeakPolarHBondContact OG-CB 3.17Å; S349-S394 PolarHBondContact OG-OG 3.32Å; S394-E396 PolarHBondContact O-N 2.98Å; S394-G398 PolarHBondContact N-O 2.9Å; S394-G398 WeakPolarHBondContact O-CA 3.28Å; S394-G398 PolarHBondContact O-N 3.47Å
395V90.2Very high93.5Very high112 Ų11256.8 Ų56.868%0.67929%0.292SS*.THydrogen-bonded Turntrans-61.3-32.4179-179.10000112.4Q348Q348-V395 HydrophobicContact CB-CG2 3.92Å
396E89.1Confident93.7Very high101 Ų10154.9 Ų54.947%0.47228%0.279SS..THydrogen-bonded Turntrans-88.9-37.1-177.7-177.2160.7-133.300113.6K313 S394K313-E396 VanDerWaalsContact CD-OE1 3.25Å; K313-E396 WeakPolarHBondContact CD-OE1 3.39Å; K313-E396 WeakPolarHBondContact CE-OE1 3.33Å; K313-E396 IonicContact NZ-OE1 2.75Å; K313-E396 PolarHBondContact NZ-OE1 3.43Å; K313-E396 IonicContact NZ-OE2 2.69Å; K313-E396 PolarHBondContact NZ-OE2 3.47Å; S394-E396 PolarHBondContact O-N 2.98Å
397F90.8Very high93.8Very high45 Ų4555.4 Ų55.420%0.19728%0.277CS..THydrogen-bonded Turntrans-115.90.6-171.7-62.3-78.3000114.7K313 K315 P316 I345 I400K313-F397 HydrophobicContact CB-CZ 4.25Å; K313-F397 HydrophobicContact CD-CZ 4.5Å; K315-F397 HydrophobicContact CB-CD1 4.39Å; K315-F397 HydrophobicContact CB-CE1 4.49Å; K315-F397 HydrophobicContact CG-CD1 4.08Å; P316-F397 VanDerWaalsContact CD-CG 3.46Å; P316-F397 HydrophobicContact CG-CB 4.21Å; P316-F397 HydrophobicContact CG-CD1 4.43Å; P316-F397 HydrophobicContact CG-CD2 3.7Å; P316-F397 HydrophobicContact CG-CE2 4.16Å; P316-F397 HydrophobicContact CG-CG 3.85Å; I345-F397 HydrophobicContact CD1-CD2 4.18Å; I345-F397 HydrophobicContact CD1-CE2 3.57Å; I345-F397 HydrophobicContact CD1-CZ 4.44Å; I345-F397 HydrophobicContact CG1-CD2 4.46Å; I345-F397 HydrophobicContact CG1-CE2 3.94Å; I345-F397 HydrophobicContact CG2-CD2 4.18Å; I345-F397 HydrophobicContact CG2-CE2 4.49Å; F397-I400 HydrophobicContact CB-CD1 4.27Å; F397-I400 HydrophobicContact CB-CG1 4.17Å
398G92.4Very high93.8Very high31 Ų3147.4 Ų47.432%0.3225%0.247SC..EExtended strand (participates in β ladder)trans64-146-171.400000112.1S394 I400S394-G398 PolarHBondContact N-O 2.9Å; S394-G398 WeakPolarHBondContact O-CA 3.28Å; S394-G398 PolarHBondContact O-N 3.47Å; G398-I400 PolarHBondContact O-N 2.88Å
399R93.9Very high93.4Very high145 Ų14549.7 Ų49.755%0.54726%0.261SS..EExtended strand (participates in β ladder)trans-77111.6-179.7-173173.8-64.9-166.2-6.6112Y391 I392Y391-R399 HydrophobicContact CD2-CG 3.62Å; Y391-R399 HydrophobicContact CE2-CG 4.31Å; Y391-R399 HydrophobicContact CG-CG 3.9Å; I392-R399 CarbonylContact O-C 3.41Å; I392-R399 WeakPolarHBondContact O-CA 3.42Å
400I95Very high92.8Very high6 Ų654.7 Ų54.73%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-96.5104.5174.5-48.2153.2000108.1P316 L318 L341 Y391 I392 F397 G398P316-I400 HydrophobicContact CB-CD1 4.26Å; P316-I400 HydrophobicContact CG-CD1 3.47Å; P316-I400 VanDerWaalsContact CG-CD1 3.47Å; P316-I400 HydrophobicContact CG-CG1 4.06Å; P316-I400 WeakPolarHBondContact O-CG2 3.11Å; L318-I400 HydrophobicContact CD1-CG2 4.19Å; L318-I400 WeakPolarHBondContact CD1-O 3.3Å; L318-I400 HydrophobicContact CG-CG2 3.9Å; L341-I400 HydrophobicContact CD1-CD1 4.42Å; Y391-I400 CarbonylContact C-O 3.59Å; Y391-I400 WeakPolarHBondContact CA-O 3.43Å; Y391-I400 VanDerWaalsContact CB-O 3.26Å; Y391-I400 WeakPolarHBondContact CB-O 3.44Å; I392-I400 HydrophobicContact CB-CB 4.4Å; I392-I400 HydrophobicContact CB-CD1 4.24Å; I392-I400 HydrophobicContact CG2-CD1 4.31Å; I392-I400 PolarHBondContact N-O 2.86Å; I392-I400 PolarHBondContact O-N 3.37Å; F397-I400 HydrophobicContact CB-CD1 4.27Å; F397-I400 HydrophobicContact CB-CG1 4.17Å; G398-I400 PolarHBondContact O-N 2.88Å
401L94.7Very high91.4Very high93 Ų9356.8 Ų56.849%0.48729%0.294SS..EExtended strand (participates in β ladder)trans-88.4139.8-177.5-17864.9000112
402C93.1Very high89.1Confident6 Ų663.2 Ų63.24%0.04133%0.329CS..BIsolated β-bridgetrans-86132167.7-171.70000111.2L318 I390 Q404L318-C402 HydrophobicContact CB-CB 3.68Å; L318-C402 HydrophobicContact CD1-CB 4.02Å; I390-C402 HydrophobicContact CB-CB 4.4Å; I390-C402 VanDerWaalsContact O-CB 3.3Å; I390-C402 WeakPolarHBondContact O-CB 3.42Å; I390-C402 PolarHBondContact O-N 2.76Å; C402-Q404 PolarHBondContact O-N 2.89Å
403N89.1Confident86.6Confident137 Ų13768.8 Ų68.873%0.73336%0.363SS*.SBendtrans-72.48.9179.8-66.6-45.2000114.1
404Q91.6Very high83.8Confident16 Ų1672.1 Ų72.18%0.07538%0.381CS..SBendtrans-132.6128.6179.4-64.6-171.7-6.100109.8E122 I321 C402E122-Q404 VanDerWaalsContact CD-NE2 3.3Å; E122-Q404 PolarHBondContact OE1-NE2 3.07Å; E122-Q404 PolarHBondContact OE2-NE2 2.87Å; I321-Q404 HydrophobicContact CD1-CB 4.33Å; I321-Q404 HydrophobicContact CG1-CB 4.09Å; C402-Q404 PolarHBondContact O-N 2.89Å
405E93.9Very high80.9Confident88 Ų8877.5 Ų77.541%0.41141%0.408SS..  trans-84.5142.5174.6-56.8171.2121.600110.7R387 Y388R387-E405 WeakPolarHBondContact CD-OE2 3.4Å; R387-E405 IonicContact CZ-OE2 3.9Å; R387-E405 IonicContact NE-OE2 2.79Å; R387-E405 IonicContact NH1-OE2 2.74Å; R387-E405 PolarHBondContact NH1-OE2 2.85Å; Y388-E405 CarbonylContact O-C 3.55Å; Y388-E405 WeakPolarHBondContact O-CA 3.49Å
406F95.3Very high78.1Confident0 Ų080.6 Ų80.60%042%0.419CS..EExtended strand (participates in β ladder)trans-87.1137.2166.2-174.5-96000110.2I321 C325 T332 L334 M380 Y388 I390 Y408I321-F406 HydrophobicContact CD1-CB 3.88Å; I321-F406 HydrophobicContact CD1-CD2 4.25Å; C325-F406 VanDerWaalsContact C-CE2 3.48Å; T332-F406 HydrophobicContact CG2-CE2 4.36Å; T332-F406 HydrophobicContact CG2-CZ 4.19Å; L334-F406 HydrophobicContact CD1-CD2 3.89Å; L334-F406 HydrophobicContact CD1-CE2 4.07Å; L334-F406 HydrophobicContact CD2-CD2 4.25Å; M380-F406 HydrophobicContact CE-CB 3.96Å; M380-F406 HydrophobicContact CE-CD1 3.55Å; M380-F406 HydrophobicContact CE-CD2 4.17Å; M380-F406 HydrophobicContact CE-CE1 3.96Å; M380-F406 HydrophobicContact CE-CG 3.65Å; M380-F406 HydrophobicContact CE-CZ 4.4Å; M380-F406 HydrophobicContact CG-CE1 4.39Å; M380-F406 HydrophobicContact CG-CE2 4.36Å; M380-F406 HydrophobicContact CG-CZ 4.11Å; Y388-F406 PolarHBondContact N-O 2.85Å; Y388-F406 PolarHBondContact O-N 2.87Å; I390-F406 HydrophobicContact CD1-CB 3.8Å; F406-Y408 AromaticContact CD1-CD2 3.74Å; F406-Y408 HydrophobicContact CD1-CD2 3.74Å; F406-Y408 HydrophobicContact CD1-CE1 4.49Å; F406-Y408 AromaticContact CD1-CE2 3.66Å; F406-Y408 HydrophobicContact CD1-CE2 3.66Å; F406-Y408 HydrophobicContact CD1-CG 4.21Å; F406-Y408 AromaticContact CE1-CD1 3.94Å; F406-Y408 HydrophobicContact CE1-CD1 3.94Å; F406-Y408 AromaticContact CE1-CD2 3.98Å; F406-Y408 HydrophobicContact CE1-CD2 3.98Å; F406-Y408 AromaticContact CE1-CE1 3.91Å; F406-Y408 HydrophobicContact CE1-CE1 3.91Å; F406-Y408 AromaticContact CE1-CE2 3.92Å; F406-Y408 HydrophobicContact CE1-CE2 3.92Å; F406-Y408 HydrophobicContact CE1-CG 4.02Å; F406-Y408 AromaticContact CE1-CZ 3.93Å
407T95.2Very high75.4Confident39 Ų3983.3 Ų83.324%0.23943%0.432CS..EExtended strand (participates in β ladder)trans-106.2111.9177.8-53.30000111.3K324 C325 G326 G386 R387 L409K324-T407 PolarHBondContact O-N 3.33Å; C325-T407 WeakPolarHBondContact CA-O 3.3Å; C325-T407 WeakPolarHBondContact CB-O 3.28Å; G326-T407 PolarHBondContact N-O 3.36Å; G386-T407 CarbonylContact O-C 3.57Å; G386-T407 WeakPolarHBondContact O-CA 3.37Å; R387-T407 HydrophobicContact CG-CG2 4.36Å; T407-L409 HydrophobicContact CG2-CD2 4.12Å
408Y94.8Very high72.5Confident4 Ų484.8 Ų84.82%0.01645%0.448CS..EExtended strand (participates in β ladder)trans-75.4122.1166.5-73.8-87.6000109.9G326 P327 V353 M380 P381 L383 P385 G386 Y388 F406G326-Y408 CarbonylContact O-C 3.46Å; G326-Y408 WeakPolarHBondContact O-CA 3.43Å; P327-Y408 WeakPolarHBondContact O-CD1 3.25Å; V353-Y408 HydrophobicContact CG1-CE2 3.91Å; M380-Y408 HydrophobicContact CE-CE2 4.22Å; P381-Y408 WeakPolarHBondContact CD-OH 3.44Å; P381-Y408 WeakPolarHBondContact O-CE1 3.44Å; P381-Y408 VanDerWaalsContact O-CZ 3.31Å; P381-Y408 PolarHBondContact O-OH 3.24Å; L383-Y408 HydrophobicContact CB-CD1 4.44Å; L383-Y408 HydrophobicContact CB-CD2 4.17Å; L383-Y408 HydrophobicContact CB-CE1 4.14Å; L383-Y408 HydrophobicContact CB-CE2 3.88Å; L383-Y408 HydrophobicContact CB-CG 4.41Å; L383-Y408 HydrophobicContact CD1-CE2 3.77Å; L383-Y408 HydrophobicContact CG-CE2 4.26Å; P385-Y408 CarbonylContact C-O 3.5Å; P385-Y408 WeakPolarHBondContact CA-O 3.37Å; G386-Y408 PolarHBondContact N-O 3.41Å; G386-Y408 PolarHBondContact O-N 2.62Å; Y388-Y408 AromaticContact CD2-CD2 3.51Å; Y388-Y408 HydrophobicContact CD2-CD2 3.51Å; Y388-Y408 HydrophobicContact CD2-CE2 4Å; Y388-Y408 AromaticContact CE2-CD2 3.85Å; Y388-Y408 HydrophobicContact CE2-CD2 3.85Å; Y388-Y408 HydrophobicContact CE2-CE2 4.46Å; Y388-Y408 HydrophobicContact CG-CD2 4.18Å; Y388-Y408 HydrophobicContact CG-CE2 4.22Å; F406-Y408 AromaticContact CD1-CD2 3.74Å; F406-Y408 HydrophobicContact CD1-CD2 3.74Å; F406-Y408 HydrophobicContact CD1-CE1 4.49Å; F406-Y408 AromaticContact CD1-CE2 3.66Å; F406-Y408 HydrophobicContact CD1-CE2 3.66Å; F406-Y408 HydrophobicContact CD1-CG 4.21Å; F406-Y408 AromaticContact CE1-CD1 3.94Å; F406-Y408 HydrophobicContact CE1-CD1 3.94Å; F406-Y408 AromaticContact CE1-CD2 3.98Å; F406-Y408 HydrophobicContact CE1-CD2 3.98Å; F406-Y408 AromaticContact CE1-CE1 3.91Å; F406-Y408 HydrophobicContact CE1-CE1 3.91Å; F406-Y408 AromaticContact CE1-CE2 3.92Å; F406-Y408 HydrophobicContact CE1-CE2 3.92Å; F406-Y408 HydrophobicContact CE1-CG 4.02Å; F406-Y408 AromaticContact CE1-CZ 3.93Å
409L88.8Confident69.6Low89 Ų8989.5 Ų89.547%0.46647%0.473SS..EExtended strand (participates in β ladder)trans-90.8150.8176.4-56.8177.1000109.9C325 G326 S328 T407 S411C325-L409 HydrophobicContact CB-CD1 4.27Å; C325-L409 HydrophobicContact CB-CG 4.25Å; G326-L409 PolarHBondContact O-N 3.05Å; S328-L409 WeakPolarHBondContact CB-O 3.22Å; S328-L409 PolarHBondContact N-O 2.81Å; S328-L409 PolarHBondContact OG-O 3.2Å; T407-L409 HydrophobicContact CG2-CD2 4.12Å; L409-S411 PolarHBondContact O-N 2.88Å; L409-S411 VanDerWaalsContact O-N 3.14Å
410H83.8Confident67Low150 Ų15087.8 Ų87.869%0.69448%0.478SS*.PPolyproline II helixtrans-55.8119.7169.4-96.781.3000110P385 D412P385-H410 WeakPolarHBondContact CB-ND1 3.28Å; P385-H410 HydrophobicContact CG-CB 4.37Å; P385-H410 WeakPolarHBondContact CG-ND1 3.41Å; H410-D412 PolarHBondContact O-N 3.22Å
411S64.9Low63.9Low44 Ų4498 Ų9831%0.30852%0.517SS..  trans-74.3103.3168.256.30000109.3S328 L409 V413S328-S411 WeakPolarHBondContact OG-CB 3.41Å; S328-S411 PolarHBondContact OG-N 3.44Å; S328-S411 PolarHBondContact OG-OG 3.04Å; L409-S411 PolarHBondContact O-N 2.88Å; L409-S411 VanDerWaalsContact O-N 3.14Å; S411-V413 PolarHBondContact O-N 3.01Å
412D49.2Very low61.1Low146 Ų146101.4 Ų101.478%0.78154%0.535SS*.  trans-68.760175.2-83.5-38.8000112.3H410 N414H410-D412 PolarHBondContact O-N 3.22Å; D412-N414 PolarHBondContact O-N 3.09Å
413V43.5Very low58.4Low117 Ų117108.1 Ų108.171%0.70957%0.57SS**  trans-81.150.6171.6-164.60000109.6S411S411-V413 PolarHBondContact O-N 3.01Å
414N36.5Very low55.7Low137 Ų137106.2 Ų106.273%0.73357%0.573SS**  trans-80.5125.9163.2-94-60.4000108.3D412 I416D412-N414 PolarHBondContact O-N 3.09Å; N414-I416 PolarHBondContact O-N 3.35Å
415L33.6Very low53.1Low122 Ų122112.7 Ų112.764%0.63961%0.613SS**  trans-58.6126.3-165.6-7264.9000111.2Q417L415-Q417 HydrophobicContact CB-CB 4.32Å; L415-Q417 HydrophobicContact CB-CG 4.19Å; L415-Q417 HydrophobicContact CD2-CG 3.98Å; L415-Q417 PolarHBondContact O-N 2.72Å
416I31.4Very low50.2Low177 Ų177113.7 Ų113.791%0.90863%0.63SS**  trans-74.961153.3-49.1179.7000108N414 S418N414-I416 PolarHBondContact O-N 3.35Å; I416-S418 PolarHBondContact O-N 3.4Å
417Q32.5Very low47.4Very low157 Ų157118.2 Ų118.273%0.73466%0.662SS**  trans-70.8108.5154.3-89.5-179.4-11.600106.2L415L415-Q417 HydrophobicContact CB-CB 4.32Å; L415-Q417 HydrophobicContact CB-CG 4.19Å; L415-Q417 HydrophobicContact CD2-CG 3.98Å; L415-Q417 PolarHBondContact O-N 2.72Å
418S30Very low44.7Very low76 Ų76125.2 Ų125.253%0.53169%0.694SS.*  trans-50.3144.2170.350.50000110.5I416 T420I416-S418 PolarHBondContact O-N 3.4Å; S418-T420 PolarHBondContact O-N 3.01Å
419P30.6Very low42.1Very low131 Ų131131.3 Ų131.385%0.85173%0.727SS**  trans-71.475.9177.530.2-35.6000111R421P419-R421 PolarHBondContact O-N 2.88Å
420T38.8Very low39.8Very low108 Ų108135.4 Ų135.466%0.66374%0.744SS**  trans-67112.1172.843.30000109.2S418 N422S418-T420 PolarHBondContact O-N 3.01Å; T420-N422 PolarHBondContact O-N 3.48Å
421R31.2Very low37.9Very low221 Ų221132.4 Ų132.483%0.83474%0.738SS**  trans-53.898.9-176.7-59.9164.6177.8158.7-4.4112.3P419 L423P419-R421 PolarHBondContact O-N 2.88Å; R421-L423 PolarHBondContact O-N 3.26Å
422N35.3Very low36.8Very low164 Ų164135.3 Ų135.388%0.87775%0.753SS**  trans-82.773.3161.5-76-6.4000109.6T420T420-N422 PolarHBondContact O-N 3.48Å
423L36.8Very low36.4Very low148 Ų148134.9 Ų134.978%0.77575%0.751SS**  trans-92.4112.3168.4-88.3165000109.2R421R421-L423 PolarHBondContact O-N 3.26Å
424A32.5Very low36.3Very low96 Ų96137.3 Ų137.379%0.79375%0.752SS**  trans21.1113.5161.100000119.3
425V37.2Very low36.3Very low152 Ų152137.3 Ų137.392%0.92175%0.751SS**  trans-127.2127.4137.31790000108.2
426S33.2Very low36.7Very low110 Ų110138.4 Ų138.477%0.76976%0.756SS**  trans-101.7132.4176.852.90000111
427S35.5Very low36.8Very low95 Ų95135.8 Ų135.866%0.66474%0.744SS**  trans-168.9119.1143.8-169.40000111.1
428M39.5Very low36.9Very low186 Ų186134.9 Ų134.992%0.91674%0.743SS**  trans-149109.4159.6-89.7-63.2-71.700105.8
429N39.5Very low37.3Very low131 Ų131137.3 Ų137.370%0.70175%0.754SS**  trans-97118.7-174.2-70.71000111.1
430E41.2Very low37.7Very low176 Ų176136.3 Ų136.382%0.82275%0.748SS**  trans62.6159133.9-72.2-146.197.900121.9
431P44Very low37.6Very low87 Ų87140.2 Ų140.257%0.56576%0.756SS**  cis-144-177.9-35.238.8-21.2000116.3
432T40.3Very low37.9Very low104 Ų104134.8 Ų134.864%0.63875%0.747SS**  trans63.2100.815346.90000121.1
433N40.6Very low38Very low137 Ų137133.7 Ų133.773%0.73374%0.741SS**  -169.1119.895.1-89.3-43.1000108.8
434K41.3Very low38.2Very low169 Ų169132.3 Ų132.374%0.73574%0.739SS**  69.3129.477.3-74.2-171.2-178.4175.30113.9
435I38.1Very low38.5Very low137 Ų137132.8 Ų132.870%0.70374%0.736SS**  cis-170.5154.2-10.9-143172.7000111
436I41.5Very low38.8Very low145 Ų145130.9 Ų130.974%0.74473%0.725SS**  trans66.3152.4157.6-77.5169.7000119.8
437N33.1Very low39.2Very low121 Ų121133.7 Ų133.765%0.64773%0.726SS**  cis-176.2143.6-38.2-131.5-1.1000111.8
438I35.7Very low39.5Very low139 Ų139137 Ų13771%0.71373%0.731SS**  trans67.7162157.1-52.3157.7000113.5
439T37.7Very low39.5Very low126 Ų126132.6 Ų132.677%0.77372%0.715SS**  cis-146.6156.516.3-26.10000112.1
440P39.5Very low39.4Very low110 Ų110133.7 Ų133.771%0.71472%0.72SS**  trans-115.8175.3169.740.5-32.8000115.8
441K36.1Very low39.1Very low191 Ų191130.9 Ų130.983%0.8372%0.72SS**  trans101.2149.6177.7-65.3-178.6178.6179.50114.8
442T38.3Very low38.7Very low106 Ų106131.9 Ų131.965%0.6573%0.729SS**  cis-162.1149.72.76.60000112.5
443N37.5Very low38.4Very low142 Ų142133.1 Ų133.176%0.75974%0.736SS**  trans61.4161.8148-60.3-2.2000119.4
444T39.6Very low38.3Very low119 Ų119131.8 Ų131.873%0.7373%0.733SS**  cis-151.316213.7-28.40000112
445S39Very low37.8Very low105 Ų105132.9 Ų132.973%0.73474%0.738SS**  trans65.6152.815451.20000117.9
446V43.4Very low37.7Very low112 Ų112133.4 Ų133.468%0.67974%0.742SS**  cis-166168.6-22.5-870000104.8
447E42.6Very low37.6Very low169 Ų169137.9 Ų137.979%0.7975%0.75SS**  cis-171166.6-18-97.9156.5-175.500103.8
448E40.2Very low37.9Very low165 Ų165141.2 Ų141.277%0.77176%0.764SS**  cis-153165.13.9-100.6-130105.100105.3
449T41.2Very low37.9Very low94 Ų94138 Ų13858%0.57777%0.765SS**  cis-167.3158-20.1-94.40000108.7
450D35.9Very low38Very low153 Ų153137.2 Ų137.282%0.81877%0.765SS**  trans37.8101166.9-71.21.6000121.8
451S34.8Very low38.4Very low117 Ų117141 Ų14182%0.81877%0.773SS**  trans-116.4115.6142.654.30000109.6
452S36.6Very low38.6Very low109 Ų109142 Ų14276%0.76277%0.771SS**  trans-91.5110.1-17446.70000112.4V454S452-V454 PolarHBondContact O-N 2.96Å
453V35Very low38.9Very low129 Ų129142.2 Ų142.278%0.78278%0.777SS**  trans-76.8105.6179.9179.30000110.8
454V37.8Very low39.1Very low109 Ų109143.1 Ų143.166%0.66178%0.782SS**  trans-86.6119.4177.7179.40000111.3S452 N456S452-V454 PolarHBondContact O-N 2.96Å; V454-N456 PolarHBondContact O-N 2.72Å
455F30.5Very low39.2Very low192 Ų192144 Ų14484%0.84278%0.781SS**  trans-67.692.7174.6-87.9-96000112.5R457F455-R457 PolarHBondContact O-N 2.74Å
456N35Very low39.6Very low149 Ų149144.9 Ų144.980%0.79778%0.782SS**  trans-73.485.3169.6-78.1-32.5000111.5V454 M458V454-N456 PolarHBondContact O-N 2.72Å; N456-M458 PolarHBondContact O-N 2.79Å; N456-M458 VanDerWaalsContact O-N 3.14Å
457R40.9Very low39.7Very low239 Ų239147 Ų14790%0.90279%0.789SS**  trans-65.3108.2165.7-78.8-173.5172.7-170.7-1.5109.9F455 G459F455-R457 PolarHBondContact O-N 2.74Å; R457-G459 PolarHBondContact O-N 3.01Å
458M39.8Very low39.9Very low191 Ų191144 Ų14494%0.94178%0.782SS**  trans-65.3100.6169.5-74167.358.300110.2N456 S460N456-M458 PolarHBondContact O-N 2.79Å; N456-M458 VanDerWaalsContact O-N 3.14Å; M458-S460 PolarHBondContact O-N 2.88Å
459G34.4Very low40Very low71 Ų71142 Ų14273%0.73278%0.776SS**PPolyproline II helixtrans-72.8117.617500000111.1R457 Q461R457-G459 PolarHBondContact O-N 3.01Å; G459-Q461 PolarHBondContact O-N 2.93Å
460S41Very low40.2Very low110 Ų110148.2 Ų148.277%0.76979%0.789SS**PPolyproline II helixtrans-54127.2179.5176.30000112.3M458 R462M458-S460 PolarHBondContact O-N 2.88Å; S460-R462 PolarHBondContact O-N 2.94Å
461Q46.4Very low40.4Very low190 Ų190151.9 Ų151.989%0.88879%0.792SS**PPolyproline II helixtrans-69.6118.6170.5-69.8-173.2-4.100109G459 S463G459-Q461 PolarHBondContact O-N 2.93Å; Q461-S463 PolarHBondContact O-N 3.16Å
462R40.4Very low40.7Very low211 Ų211152 Ų15280%0.79679%0.792SS**PPolyproline II helixtrans-77.4116-180-60.3-17972.3-168.53.4109.5S460S460-R462 PolarHBondContact O-N 2.94Å
463S44.8Very low40.7Very low110 Ų110150.5 Ų150.577%0.76979%0.794SS**PPolyproline II helixtrans-61.1154.1167.949.30000111.4Q461 L465Q461-S463 PolarHBondContact O-N 3.16Å; S463-L465 PolarHBondContact O-N 2.9Å
464N43.1Very low41Very low161 Ų161156.1 Ų156.186%0.86180%0.801SS**PPolyproline II helixtrans-66.4117.7-176.1-72.3-44000111.2V466N464-V466 PolarHBondContact O-N 2.75Å
465L40.7Very low41.3Very low137 Ų137161.3 Ų161.372%0.71781%0.809SS**  trans-68.5100.6172.3-91.9162.4000110.2S463 L467S463-L465 PolarHBondContact O-N 2.9Å; L465-L467 PolarHBondContact O-N 2.87Å
466V47.1Very low41.9Very low124 Ų124159.5 Ų159.575%0.75280%0.803SS**  trans-66.898165.7-179.60000108.3N464 V468N464-V466 PolarHBondContact O-N 2.75Å; V466-V468 VanDerWaalsContact C-N 3.29Å; V466-V468 HydrophobicContact CG1-CG2 4.13Å; V466-V468 PolarHBondContact O-N 2.78Å
467L44.9Very low42.4Very low158 Ų158163.7 Ų163.783%0.82781%0.808SS**  trans-72.885.2172.4-73.8173.4000109.8L465 D469L465-L467 PolarHBondContact O-N 2.87Å; L467-D469 PolarHBondContact O-N 2.97Å; L467-D469 VanDerWaalsContact O-N 3.13Å
468V47.5Very low42.4Very low106 Ų106157.7 Ų157.764%0.64280%0.803SS**  trans-62.1109.9167.5179.20000108.5V466 R470V466-V468 VanDerWaalsContact C-N 3.29Å; V466-V468 HydrophobicContact CG1-CG2 4.13Å; V466-V468 PolarHBondContact O-N 2.78Å; V468-R470 HydrophobicContact CG1-CG 4.39Å; V468-R470 PolarHBondContact O-N 3.33Å
469D42.2Very low42.4Very low122 Ų122158.5 Ų158.565%0.65280%0.795SS**  trans-70.7104.4177.4-170.50.3000110.4L467 R471L467-D469 PolarHBondContact O-N 2.97Å; L467-D469 VanDerWaalsContact O-N 3.13Å; D469-R471 PolarHBondContact O-N 2.9Å; D469-R471 VanDerWaalsContact OD1-CB 3.23Å; D469-R471 WeakPolarHBondContact OD1-CB 3.3Å; D469-R471 WeakPolarHBondContact OD1-CD 3.27Å; D469-R471 WeakPolarHBondContact OD1-CG 3.46Å; D469-R471 PolarHBondContact OD1-N 2.82Å; D469-R471 VanDerWaalsContact OD1-N 3.07Å
470R45.5Very low42.7Very low225 Ų225159 Ų15985%0.84979%0.786SS**  trans-83.822.7178.9-71.5-176.5169173.4-3.3113.4V468 S472V468-R470 HydrophobicContact CG1-CG 4.39Å; V468-R470 PolarHBondContact O-N 3.33Å; R470-S472 PolarHBondContact O-N 2.89Å
471R41.1Very low42.6Very low229 Ų229161.3 Ų161.386%0.86478%0.784SS**  trans-80.447.3177-71.6172.2179.1-125.3-1.7114.1D469D469-R471 PolarHBondContact O-N 2.9Å; D469-R471 VanDerWaalsContact OD1-CB 3.23Å; D469-R471 WeakPolarHBondContact OD1-CB 3.3Å; D469-R471 WeakPolarHBondContact OD1-CD 3.27Å; D469-R471 WeakPolarHBondContact OD1-CG 3.46Å; D469-R471 PolarHBondContact OD1-N 2.82Å; D469-R471 VanDerWaalsContact OD1-N 3.07Å
472S39.8Very low42.3Very low119 Ų119157.2 Ų157.283%0.83278%0.783SS**  trans-128.2123.6161.9-173.90000109.3R470R470-S472 PolarHBondContact O-N 2.89Å
473G36.7Very low42.3Very low78 Ų78156 Ų15680%0.80479%0.791SS**  trans137.667.3177.400000116.1
474R41.1Very low41.9Very low247 Ų247154.5 Ų154.593%0.93279%0.793SS**  trans-154.260.2160.3-154.3-179.7-179.2177.30.8115.9
475R43.7Very low41.7Very low219 Ų219158.4 Ų158.483%0.82680%0.795SS**  trans-176.2143.6151.7-107.2173.5157.2152.4-4.7108.5
476E43.8Very low41.6Very low153 Ų153156.1 Ų156.172%0.71579%0.791SS**  cis-141.8174.2-3.3-152.3139.4-131.300109.9
477R45.1Very low41.1Very low237 Ų237157 Ų15789%0.89479%0.791SS**  trans-95.5141.5179.7-62.6170.9174176.9-5.3108.6
478S40.4Very low40.7Very low113 Ų113154.5 Ų154.579%0.7979%0.788SS**  -169.814066.238.20000109.1
479R41.2Very low40.2Very low209 Ų209156.8 Ų156.879%0.78980%0.795SS**  71.2141.979.9-121.3-134.6132.21224.4113.5E481R479-E481 IonicContact CZ-OE2 2.85Å; R479-E481 IonicContact NE-OE2 3.11Å; R479-E481 IonicContact NH2-OE2 2.84Å; R479-E481 PolarHBondContact NH2-OE2 2.95Å
480P40.5Very low39.9Very low82 Ų82155.7 Ų155.753%0.53280%0.797SS.*  -146.9-157.6-83.347-30.9000114.7
481E38.4Very low39.4Very low158 Ų158149.6 Ų149.674%0.73879%0.789SS**  trans66.5105.5148-70.5164133.900119.8R479R479-E481 IonicContact CZ-OE2 2.85Å; R479-E481 IonicContact NE-OE2 3.11Å; R479-E481 IonicContact NH2-OE2 2.84Å; R479-E481 PolarHBondContact NH2-OE2 2.95Å
482A39.8Very low39.1Very low104 Ų104143.1 Ų143.186%0.8678%0.779SS**  -157.7148.1128.400000110.3
483L41.2Very low39Very low186 Ų186145 Ų14597%0.97478%0.778SS**  trans-96.7149.4172.4-68.2103.7000111.1
484G37.1Very low39.2Very low77 Ų77148.9 Ų148.979%0.79478%0.779SS**  trans-169114.8169.600000113.1
485R37.8Very low38.8Very low243 Ų243140.6 Ų140.692%0.91777%0.771SS**  trans-83.3165.1152.4-53.6173.5169.3170.7-6.9107.1
486S38.9Very low38.5Very low90 Ų90133.7 Ų133.763%0.62977%0.768SS**  cis-153.9171.314.1-31.70000111.2
487D36.2Very low38.3Very low141 Ų141132.1 Ų132.175%0.75477%0.774SS**  trans49.8107.3138.4-49.3-27.2000121.7
488S36Very low38.1Very low107 Ų107126 Ų12675%0.74877%0.767SS**  92.9156.1121.482.10000121.7
489L38.2Very low38.2Very low154 Ų154128.5 Ų128.581%0.80676%0.764SS**  trans71.3108.4161.2-60.8-179.4000120.9
490S34.7Very low38.3Very low98 Ų98126.8 Ų126.869%0.68577%0.767SS**  73.1128125.168.60000122.2
491S35.3Very low38.2Very low97 Ų97125.7 Ų125.768%0.67877%0.77SS**  trans49.199137.862.50000118.2
492S35.6Very low38.3Very low94 Ų94124.3 Ų124.366%0.65777%0.773SS**  87.2160.284.673.50000114.2
493I38.3Very low38.8Very low159 Ų159127.1 Ų127.182%0.81577%0.772SS**  trans72.7144.9167.8-62.5165.7000114.3
494L39.6Very low38.7Very low159 Ų159123.7 Ų123.783%0.83276%0.755SS**  cis-170.6133.5-29.5-167.7148.5000109.6
495G33.9Very low39.3Very low73 Ų73129.2 Ų129.275%0.75376%0.759SS**  trans87.1170.5155.500000120.1
496G37.5Very low39.4Very low74 Ų74123.6 Ų123.676%0.76375%0.747SS**  trans97.8103.1-17600000112.6
497S38.9Very low39.8Very low120 Ų120129.4 Ų129.484%0.83976%0.761SS**  cis62.712644-153.80000112
498S40Very low40.1Very low108 Ų108127.8 Ų127.876%0.75576%0.756SS**  cis-149.9-155.19.9-153.40000108.9
499K44.2Very low40.4Very low165 Ų165130.5 Ų130.572%0.71776%0.762SS**  cis-163.4125.812.3-164.2169.8179.4178.30113.2
500M41.4Very low40.3Very low173 Ų173128.3 Ų128.385%0.85276%0.755SS**  trans62150.4161.3-65-176.5-42.800120
501G40.1Very low40.5Very low59 Ų59130.5 Ų130.561%0.60876%0.759SS**  cis172.6173.3-7.500000114.5
502T40.5Very low40.6Very low129 Ų129134.4 Ų134.479%0.79176%0.764SS**  trans43.1130.5157.854.60000119
503I49.2Very low40.7Very low164 Ų164138.3 Ų138.384%0.84177%0.772SS**  -140.4153.962.5-78.7154.8000112
504N39.8Very low40.7Very low114 Ų114136.5 Ų136.561%0.6176%0.764SS**  trans-82.5161.7-174.5-48.7-10000113
505H49.7Very low40.6Very low193 Ų193136.5 Ų136.589%0.89477%0.765SS**  trans-154.8118131.4-110.2-66.7000110.7
506D39Very low40.8Very low124 Ų124143.3 Ų143.366%0.66377%0.768SS**  trans-78.9149.3-176.6-57.5-87.1000113.4
507K48.7Very low40.5Very low213 Ų213145.6 Ų145.693%0.92677%0.767SS**  trans-149.3126.6133-116.9176.9-176.5-1750111
508V40.7Very low40.7Very low107 Ų107148.9 Ų148.965%0.64877%0.766SS**  trans-106.9142.4-179.3172.90000107.9
509D43.2Very low40.3Very low163 Ų163149.6 Ų149.687%0.87276%0.762SS**  trans-167.8164.1131.4-100-35.4000112.4
510T36.6Very low40.1Very low108 Ų108148.2 Ų148.266%0.66377%0.767SS**  trans-129.3151.5-160.557.20000113.6
511N38.8Very low39.8Very low144 Ų144147.7 Ų147.777%0.7776%0.762SS**  trans163.3122.1141.1-83.7-40.4000108.8
512K36.3Very low39.7Very low180 Ų180152.2 Ų152.278%0.78377%0.771SS**  59.4102.276.3-82-167.8171.6-174.40114.9
513H38.8Very low39.6Very low176 Ų176152.9 Ų152.982%0.81577%0.77SS**  -165.2174105.6-112.2-48.4000112.8
514D38.3Very low38.9Very low121 Ų121151 Ų15165%0.64777%0.766SS**  trans-108.2158.7-161.3-36-101.4000111.9
515N37.2Very low39Very low158 Ų158150.9 Ų150.985%0.84577%0.771SS**  171.9155.5113.1-97.5-70.6000116.8
516R37.2Very low38.2Very low217 Ų217147 Ų14782%0.81977%0.765SS**  trans85.5100.3148.4-121.3172.5-162.5155.47.9121.7
517T32.4Very low38.4Very low121 Ų121151.2 Ų151.274%0.74278%0.778SS**  trans-81.5156157.1-41.40000111.6N519T517-N519 HydrophobicContact CG2-CB 4.42Å
518F42.7Very low37.6Very low190 Ų190149.9 Ų149.983%0.83378%0.775SS**  trans-138.3142.4150.6-99.7-80.3000109.5
519N30.8Very low37.6Very low123 Ų123153.3 Ų153.366%0.65879%0.789SS**  trans-159.4120.1-169.4-174.321.4000112.3T517T517-N519 HydrophobicContact CG2-CB 4.42Å
520T40.1Very low37.1Very low135 Ų135150.9 Ų150.983%0.82878%0.784SS**  trans-157.5110.3172.944.40000106.8
521H35.4Very low37.3Very low163 Ų163151.6 Ų151.676%0.75579%0.794SS**  cis76.7146.742-109.1-81.8000115.5
522I39.3Very low37.2Very low153 Ų153153.8 Ų153.879%0.78580%0.8SS**  trans84.5131176.4-57.3169.8000113.4
523N37.8Very low37.3Very low144 Ų144150 Ų15077%0.7780%0.802SS**  cis-145.1176.99.1-140.5-4.4000116.4
524V35Very low37.3Very low125 Ų125147 Ų14776%0.75880%0.798SS**  trans-146.1-177.6177.1-109.90000109
525P40.2Very low37.2Very low111 Ų111150.5 Ų150.572%0.72181%0.807SS**  cis-139.7175.81644.9-26000119
526S34.4Very low37.3Very low110 Ų110152 Ų15277%0.76981%0.809SS**  trans11148.2145.3-46.10000124.3
527K42Very low37.1Very low213 Ų213148.4 Ų148.493%0.92681%0.806SS**  trans-146.9138.4137.5-116.1176.4-175177.70111.9
528E32.1Very low37.2Very low186 Ų186152.2 Ų152.287%0.86981%0.813SS**  trans-94161.9176.9-57.3170.2112.200111.6
529L40.5Very low36.8Very low179 Ų179150 Ų15094%0.93781%0.809SS**  trans-162.1149.2142-110.6160.3000109.7
530S33.1Very low37.2Very low111 Ų111150 Ų15078%0.77682%0.816SS**  trans-133.4155.7-172.877.80000113
531S40.5Very low36.9Very low124 Ų124150 Ų15087%0.86782%0.816SS**  trans-154.5155.8156.858.50000110.5
532Q38.2Very low37Very low190 Ų190145.3 Ų145.389%0.88881%0.812SS**  trans-111.6152.1-170.9-55.4157.7-3300110.6
533A37.8Very low37Very low100 Ų100146.8 Ų146.883%0.82682%0.815SS**  trans-171.6148.9135.900000111.4
534P37.9Very low37.1Very low114 Ų114145.2 Ų145.274%0.7482%0.816SS**  trans-125.6161.7-171.641.8-29.3000116.6
535K36Very low37.2Very low194 Ų194146.8 Ų146.884%0.84381%0.814SS**  trans49.8125.8147.5-66.5172.1-179.6179.90120.1
536Q39Very low37.1Very low190 Ų190148.1 Ų148.189%0.88882%0.815SS**  -157.1164.5116.5-111.4169.845.600112
537N33Very low37.4Very low140 Ų140149.3 Ų149.375%0.74982%0.817SS**  trans-98.4163.9-175.5-51.2-36.5000110.8
538F35.7Very low37Very low202 Ų202144.8 Ų144.889%0.88681%0.812SS**  -179.6138.1113.1-100.6-71.1000112.2
539L34.1Very low37.3Very low144 Ų144141.1 Ų141.175%0.75481%0.807SS**  trans-100.3164.9156.9-129.681000107.1
540P39.5Very low37.1Very low123 Ų123141.2 Ų141.280%0.79981%0.808SS**  -152.1-167.867.541.4-19.8000116.3
541T34.5Very low37.3Very low134 Ų134139.6 Ų139.682%0.82281%0.809SS**  trans-86.1167.2-175.927.70000116.1
542G37.1Very low37.6Very low65 Ų65140.3 Ų140.367%0.6781%0.808SS**  trans154.696.8168.200000108.6
543E38.3Very low38Very low183 Ų183136.8 Ų136.886%0.85580%0.801SS**  76.5149.169.7-69.9-164.8179.300114.7
544S40Very low38.5Very low112 Ų112137.6 Ų137.678%0.78380%0.798SS**  trans67.2149.5179.8-60.80000117.7
545E38.3Very low38.6Very low157 Ų157142.1 Ų142.173%0.73481%0.806SS**  cis-164.2164.7-39.1-131.9-170.8167.900108.8
546L37.9Very low39.2Very low140 Ų140140.4 Ų140.473%0.73381%0.805SS**  trans45121.8155.7-57.4170.3000120.4
547V39.9Very low39.4Very low134 Ų134140.3 Ų140.381%0.81280%0.802SS**  169.5127105.61580000109.5
548S33.2Very low39.9Very low118 Ų118141.2 Ų141.283%0.82580%0.801SS**  trans-96.7130.6170.555.80000111.5
549S39.8Very low40.1Very low110 Ų110137 Ų13777%0.76980%0.796SS**  trans-149.4155.1163.467.20000112.4
550L35.9Very low40.6Very low181 Ų181139.6 Ų139.695%0.94880%0.798SS**  trans-76139.9-172.4-7759.3000111.6
551G37.5Very low40.8Very low77 Ų77142.6 Ų142.679%0.79480%0.798SS**  trans-138.8120.5170.100000111.8
552T46.4Very low40.9Very low139 Ų139147.3 Ų147.385%0.85380%0.801SS**PPolyproline II helixtrans-79.8154.3178.427.50000112.6
553P46.7Very low41.2Very low115 Ų115151 Ų15175%0.74780%0.804SS**PPolyproline II helixtrans-72.4143.7-170.628.3-35.7000113.4
554P48.1Very low41.1Very low117 Ų117147.6 Ų147.676%0.7680%0.8SS**PPolyproline II helixtrans-76.9135.7-178.630.7-34.8000112.8I556P554-I556 PolarHBondContact O-N 2.9Å
555K40.1Very low41.1Very low209 Ų209151.3 Ų151.391%0.90981%0.805SS**  trans-76.6100.3172.7-69.1-179.1178.5178.40110.9K557K555-K557 PolarHBondContact O-N 3.45Å
556I47.2Very low41.1Very low158 Ų158148.8 Ų148.881%0.8181%0.805SS**PPolyproline II helixtrans-73.1118.7170.8-62178.8000109.5P554P554-I556 PolarHBondContact O-N 2.9Å
557K44.9Very low41.3Very low189 Ų189149.8 Ų149.882%0.82281%0.811SS**PPolyproline II helixtrans-81.5123.1172.7-69.2178.2177.5176.70110K555K555-K557 PolarHBondContact O-N 3.45Å
558Q41.9Very low41.5Very low159 Ų159150.4 Ų150.474%0.74381%0.809SS**PPolyproline II helixtrans-70.9133.4166.3-69.5-176.6-7.200110.4Y560Q558-Y560 HydrophobicContact CB-CD2 4.35Å; Q558-Y560 HydrophobicContact CB-CE2 4.43Å
559S40.9Very low42Very low112 Ų112150.8 Ų150.878%0.78381%0.808SS**  trans-129.272.3177.643.90000110.8K561S559-K561 PolarHBondContact O-N 2.81Å
560Y44.1Very low41.9Very low200 Ų200151.9 Ų151.978%0.78481%0.806SS**  trans-69.2101.8178.2-84.2-75.6000112.2Q558 R562Q558-Y560 HydrophobicContact CB-CD2 4.35Å; Q558-Y560 HydrophobicContact CB-CE2 4.43Å; Y560-R562 PolarHBondContact O-N 3.19Å
561K44Very low42.1Very low186 Ų186153.1 Ų153.181%0.80980%0.804SS**  trans-8589.6175.7-166.5177.6-174.3-179.30110.4S559S559-K561 PolarHBondContact O-N 2.81Å
562R37.4Very low42.2Very low232 Ų232154.7 Ų154.788%0.87580%0.8SS**  trans-65135.1169.2-68.9-174.6-176172.32.1109.9Y560Y560-R562 PolarHBondContact O-N 3.19Å
563I43.8Very low42.1Very low144 Ų144155.4 Ų155.474%0.73880%0.797SS**  trans-117.9121.2160.5-64.1177.6000106.5
564S35.7Very low41.8Very low111 Ų111157.4 Ų157.478%0.77680%0.801SS**  trans-118.9130.9169.4-58.10000107.8
565Q40.4Very low41.2Very low190 Ų190156.9 Ų156.989%0.88880%0.8SS**  trans-121.1137.4158.9-75.7-167.1-14.500109
566S38.5Very low41.4Very low103 Ų103151.5 Ų151.572%0.7280%0.795SS**  trans-88.3158.9-174.751.50000112
567N41.9Very low41Very low161 Ų161153.2 Ų153.286%0.86180%0.796SS**  -156.3141.4122.8-91-32.5000110.7
568L43.1Very low40.6Very low147 Ų147153.9 Ų153.977%0.7780%0.799SS**  trans-129.9159.3176.9-94.4164.8000107.9
569P43.8Very low40.4Very low126 Ų126151.3 Ų151.382%0.81879%0.791SS**  -147.2118.6107.632.6-14.2000116.2
570N38.5Very low40.4Very low133 Ų133152.9 Ų152.971%0.71179%0.786SS**  trans18.6132.5139.3-58.1-12.8000122.1
571K39.8Very low39.9Very low208 Ų208150 Ų15090%0.90478%0.784SS**  trans-151.3113.9135.1-115.8-178.9-178.4-179.50111.4
572P39.4Very low39.8Very low109 Ų109147.5 Ų147.571%0.70878%0.784SS**  trans-104.7-160.717440-32.9000112.1
573I43.8Very low39.6Very low155 Ų155143.6 Ų143.680%0.79578%0.78SS**  trans90.7126.3-177.9-58.8170.1000112
574N41.5Very low39.4Very low157 Ų157145 Ų14584%0.8479%0.788SS**  cis-147.3178.23.7-129.8-4.3000113.5
575S34.9Very low39.5Very low106 Ų106147.4 Ų147.474%0.74179%0.79SS**  trans-135.3141.4-172.564.80000116.8
576A43.3Very low39.7Very low96 Ų96144.2 Ų144.279%0.79379%0.785SS**  trans-156135.4151.900000108.1
577K39.8Very low39.5Very low193 Ų193145.2 Ų145.284%0.83979%0.787SS**  cis77.88630.9-72.1-166.6172.2-177.60116.6
578F37.2Very low39.4Very low203 Ų203149 Ų14989%0.8979%0.789SS**  178.9168.2127-120.7-111.1000110.8
579N37.5Very low39.1Very low106 Ų106153 Ų15357%0.56779%0.794SS**  -157.4150-65.5-161.214.8000110.9
580Q39.7Very low38.5Very low145 Ų145153.2 Ų153.268%0.67879%0.793SS**  trans51.4127.9157.4-80.4170.97.400124.2
581N34.7Very low38.3Very low140 Ų140152.6 Ų152.675%0.74980%0.799SS**  trans66.5158.6139.2-57.9-19.2000119.2
582V40.9Very low37.9Very low132 Ų132150.7 Ų150.780%0.880%0.798SS**  cis-137.8169.111.8-141.50000112
583N34.4Very low37.7Very low150 Ų150152.5 Ų152.580%0.80281%0.807SS**  trans-59.1149.8177.1-55.2-63.7000114.8
584L39.3Very low37.1Very low173 Ų173152.8 Ų152.891%0.90681%0.81SS**  trans-163.6129.4135.1-109.1157.4000112.3
585M36.7Very low36.9Very low163 Ų163149.6 Ų149.680%0.80380%0.801SS**  trans-102.8144.7174.5-103.5-81.9168.700110.3
586P44.4Very low37Very low122 Ų122153.5 Ų153.579%0.79281%0.807SS**  trans-120.2104.7162.433.9-21000112.8
587T34.8Very low36.5Very low125 Ų125156.2 Ų156.277%0.76781%0.808SS**  trans-90.6123.3172.1-380000111.3
588R39.4Very low36.5Very low240 Ų240151.7 Ų151.791%0.90680%0.799SS**  trans-163.5113.5160.8-101.1153.3-165.1-143.63.3108.2
589R36.7Very low36.5Very low231 Ų231151.2 Ų151.287%0.87280%0.796SS**  71.997.174.2-84.3-162.3175.5-1690.7115.2
590V31.4Very low36.4Very low130 Ų130152.8 Ų152.879%0.78881%0.805SS**  36.3122.7124.9-175.10000118.6
591S34.8Very low36.8Very low121 Ų121155.1 Ų155.185%0.84682%0.816SS**  trans-152.3143.4137-89.20000110.4
592L32Very low36.9Very low167 Ų167155.5 Ų155.587%0.87482%0.818SS**  trans-107.2135.3169.4-76160000108.5
593T35.6Very low37.1Very low148 Ų148155.8 Ų155.891%0.90882%0.82SS**  trans-140.9147.3160.641.90000110.2
594N31.1Very low37.3Very low160 Ų160156 Ų15686%0.85682%0.821SS**  trans-144.2118.2-170.517026.7000108.7
595S36Very low37.4Very low91 Ų91151.8 Ų151.864%0.63681%0.811SS**  trans-166.8115.217255.60000114.6
596Q37.4Very low37.6Very low187 Ų187149.8 Ų149.887%0.87481%0.809SS**  68.3110.3129.1-63.3171.7-71.600121.6
597N32.8Very low37.3Very low153 Ų153150.5 Ų150.582%0.81881%0.806SS**  trans-53.2172139.2-74.24.7000111.9
598P39.3Very low37.6Very low99 Ų99150.8 Ų150.864%0.64381%0.811SS**  cis-138.9-178.415.941.7-23000116
599F37.8Very low37.5Very low192 Ų192144.7 Ų144.784%0.84280%0.8SS**  -176.8166.7112.4-107.1-76.7000111.7
600N35.2Very low37.7Very low140 Ų140139 Ų13975%0.74980%0.796SS**  trans-87.6158.5-179.5-52.1-9.6000111.6
601E47.5Very low38Very low193 Ų193138.3 Ų138.390%0.90279%0.793SS**  -158.7143.9125.6-119.7169.2179.600111.3
602D38.4Very low38.2Very low149 Ų149141.1 Ų141.180%0.79780%0.797SS**  trans-86.7159171.3-54.4-80.7000110.5
603T44.2Very low38.4Very low138 Ų138138.7 Ų138.785%0.84779%0.794SS**  trans172.8146.4138.1-71.70000110.4
604D39.3Very low38.6Very low154 Ų154135.4 Ų135.482%0.82479%0.79SS**  trans-75.9171-175.3-60.5-79.9000116.9
605A40.7Very low39Very low84 Ų84136.4 Ų136.469%0.69479%0.789SS**  112.9130.9128.800000121.5
606T41.3Very low39.2Very low122 Ų122139 Ų13975%0.74880%0.801SS**  trans73.3103.7145.747.70000122.7
607D38.6Very low39.2Very low137 Ų137135.5 Ų135.573%0.73380%0.797SS**  54.8120.8116-61-25.9000123.7V609D607-V609 HydrophobicContact CB-CG2 4.46Å
608C39.6Very low39.4Very low131 Ų131137.4 Ų137.489%0.88580%0.802SS**  trans-163.285.1138.8-93.90000108.4
609V38.4Very low39.2Very low111 Ų111139.3 Ų139.367%0.67381%0.812SS**  58.710782.8-176.20000114.6D607 T611D607-V609 HydrophobicContact CB-CG2 4.46Å; V609-T611 HydrophobicContact CG1-CG2 4.24Å
610S39.5Very low39.3Very low113 Ų113138.1 Ų138.179%0.7981%0.81SS**  trans-169.975.4153.5-79.40000109.3
611T39Very low39.5Very low115 Ų115138.6 Ų138.671%0.70681%0.808SS**  59.5110.3100.262.90000116.1V609V609-T611 HydrophobicContact CG1-CG2 4.24Å
612L39.2Very low39.3Very low179 Ų179139.8 Ų139.894%0.93781%0.806SS**  -167136.8113.6-101.4165.7000110.2
613S35.7Very low39.2Very low117 Ų117138.6 Ų138.682%0.81880%0.8SS**  trans-111.8164.4-174.751.60000112.4
614G40.2Very low39.1Very low79 Ų79139.4 Ų139.481%0.81479%0.794SS**  trans-17687.7177.600000112.3
615E38.4Very low39.2Very low180 Ų180138.9 Ų138.984%0.84179%0.785SS**  trans-80.4146.6178.8-58160.2105.800112
616T40.1Very low39.3Very low146 Ų146143.1 Ų143.190%0.89680%0.796SS**  trans-160.9127.6134-11.40000111.3
617S37.5Very low39.5Very low113 Ų113144.8 Ų144.879%0.7979%0.792SS**  trans-93.2140.2175.7-56.40000111.3
618Q37.4Very low39.7Very low194 Ų194145.3 Ų145.391%0.90779%0.793SS**  trans-135.6109.4154.1-79.1-165.5-12.500110.1
619T35.3Very low39.9Very low139 Ų139146.1 Ų146.185%0.85378%0.784SS**  trans-79132.1163.145.50000109.2
620M40.5Very low40.1Very low166 Ų166149.3 Ų149.382%0.81879%0.791SS**  trans-121.3129.6157-102.8-160-6700110
621E38.6Very low40.2Very low150 Ų150147.7 Ų147.770%0.70179%0.793SS**  trans-83.9135.5176-179.3-177.5169.700109.3N623E621-N623 PolarHBondContact OE1-ND2 2.98Å
622Y42.7Very low40.5Very low219 Ų219147.8 Ų147.886%0.85980%0.798SS**  trans-127.793.6165.4-100.3-86.3000109.2
623N37.8Very low40.8Very low124 Ų124146.5 Ų146.566%0.66379%0.792SS**  trans-95169.8170.6-108.6-46.8000110.6E621E621-N623 PolarHBondContact OE1-ND2 2.98Å
624E41.6Very low41.4Very low155 Ų155152.1 Ų152.172%0.72480%0.795SS**  trans83152.2156.5-128.2177.5-177.800120.5
625F41.5Very low41.9Very low143 Ų143153.7 Ų153.763%0.62779%0.794SS**  trans55.689.1173.4-58.7-70.6000119.8
626N42.7Very low42.3Very low173 Ų173150.4 Ų150.493%0.92580%0.797SS**  -143.814695.1-110.5-41.6000112.9
627K45.5Very low42.8Very low157 Ų157147.9 Ų147.968%0.68379%0.792SS**  trans-156.4127.9-162.3178.4-176.1-172.7176.60108
628I43Very low43.1Very low147 Ų147148.8 Ų148.875%0.75480%0.798SS**  trans174.3106.3150-91.1148.9000111
629H43.3Very low43.5Very low149 Ų149142.4 Ų142.469%0.6979%0.785SS**  trans46.1160.2137.9-60.2-78.2000125.6
630H43.4Very low44.1Very low177 Ų177147.8 Ų147.882%0.81979%0.789SS**  trans74.8102.7168.9-45.5-69.7000115.3
631G40.3Very low44.4Very low80 Ų80145.8 Ų145.883%0.82579%0.792SS**  cis101.899.71.300000113.3
632S46.4Very low45.1Very low116 Ų116148 Ų14881%0.81180%0.799SS**  trans-162.5115.1167.3-174.60000109.8
633D44.4Very low45.4Very low153 Ų153143.4 Ų143.482%0.81880%0.799SS**  trans-72.4143.1173-58.8-81.7000111.7
634R49.8Very low46.3Very low234 Ų234144.9 Ų144.988%0.88381%0.805SS**  trans-163.9140146.8-109.9149-161.5-125.70.3114.7
635S49Very low46.7Very low112 Ų112144.8 Ų144.878%0.78381%0.806SS**  trans66.180.8154-54.20000118.2
636A46.8Very low47.4Very low111 Ų111140.1 Ų140.192%0.91780%0.799SS**  trans-71.8128.6152.700000110.6
637A51Low48.1Very low94 Ų94135.6 Ų135.678%0.77779%0.786SS**  trans-160.5149.6168.900000113.2
638S45.1Very low48.9Very low131 Ų131130.7 Ų130.792%0.91678%0.78SS**  trans76.5156.9166.3-148.10000119.1
639G45.7Very low49.9Very low61 Ų61130 Ų13063%0.62977%0.773SS**  trans-49.8144.2-157.200000117.2
640R47.1Very low51.1Low251 Ų251130 Ų13095%0.94777%0.773SS**  cis60.852.434.7-154.4-172.4172158.6-0.3114.8
641S46.7Very low52.6Low125 Ų125128.3 Ų128.387%0.87477%0.766SS**  trans-115.4105.8150.6-67.30000108.6
642K54.1Low54.4Low197 Ų197126.3 Ų126.386%0.85775%0.745SS**  trans-130.3137.7179.2-98.9-165.1174.3-170.40109.6
643S49.5Very low56Low122 Ų122125.6 Ų125.685%0.85373%0.731SS**  trans66.2132.9172.2-140.10000113.6
644I55.3Low57.9Low154 Ų154126 Ų12679%0.7973%0.726SS**SBend-151.9361.2-161.6161000115.5
645M50.9Low59.5Low153 Ų153121.1 Ų121.175%0.75472%0.717SS**SBendtrans-94.4-11.9-170.6-57.5-159.8-52.100116.4A647M645-A647 VanDerWaalsContact C-N 3.27Å; M645-A647 PolarHBondContact O-N 2.94Å
646G56.8Low61.2Low45 Ų45121.1 Ų121.146%0.46470%0.704SS.*THydrogen-bonded Turntrans-70.5-0.8-163.800000118.2
647A57.1Low63.2Low79 Ų79120 Ų12065%0.65368%0.683SS**Hα-helixtrans-76.3-34-176.200000113.8M645M645-A647 VanDerWaalsContact C-N 3.27Å; M645-A647 PolarHBondContact O-N 2.94Å
648G60.8Low65.1Low54 Ų54120.8 Ų120.856%0.55767%0.67SS**Hα-helixtrans-78.8-27.2-179.600000113.8G652G648-G652 PolarHBondContact O-N 2.96Å
649E63.9Low67.3Low132 Ų132117.5 Ų117.562%0.61765%0.651SS**Hα-helixtrans-71.9-35.6-179.5-64174.9159.700111.3G652 L653E649-G652 PolarHBondContact O-N 3Å; E649-L653 WeakPolarHBondContact O-CG 3.45Å; E649-L653 PolarHBondContact O-N 3.44Å
650E68.8Low69.6Low148 Ų148119.3 Ų119.369%0.69265%0.646SS**Hα-helixtrans-68.9-39.8178.2-168.2172.7-174.800112.5K654E650-K654 WeakPolarHBondContact O-CB 3.42Å; E650-K654 PolarHBondContact O-N 2.94Å
651E75.8Confident71.8Confident143 Ų143114.3 Ų114.367%0.66863%0.627SS**Hα-helixtrans-67.7-38.8173.1-68.9-161.8142.100112.3K654 L655E651-K654 PolarHBondContact O-N 3.01Å; E651-L655 WeakPolarHBondContact O-CG 3.46Å; E651-L655 PolarHBondContact O-N 3.14Å
652G77.7Confident74Confident37 Ų37111.4 Ų111.438%0.38161%0.607SS.*Hα-helixtrans-59-51.5174.700000112.3G648 E649 K654 L655 E656G648-G652 PolarHBondContact O-N 2.96Å; E649-G652 PolarHBondContact O-N 3Å; G652-K654 VanDerWaalsContact C-N 3.27Å; G652-K654 PolarHBondContact O-N 2.98Å; G652-L655 PolarHBondContact O-N 3.05Å; G652-E656 PolarHBondContact O-N 3.43Å
653L80.8Confident75.9Confident101 Ų101107.4 Ų107.453%0.52959%0.594SS.*Hα-helixtrans-61.8-33.4176.6-71.7169.2000112.5E649 N657E649-L653 WeakPolarHBondContact O-CG 3.45Å; E649-L653 PolarHBondContact O-N 3.44Å; L653-N657 WeakPolarHBondContact O-CB 3.23Å; L653-N657 PolarHBondContact O-N 3.44Å; L653-N657 PolarHBondContact O-ND2 2.98Å
654K83.6Confident78.1Confident162 Ų162106.5 Ų106.570%0.70458%0.579SS**Hα-helixtrans-69.7-41.9176.8-171.7178.6179.8-176.80112.2E650 E651 G652 N657 E658E650-K654 WeakPolarHBondContact O-CB 3.42Å; E650-K654 PolarHBondContact O-N 2.94Å; E651-K654 PolarHBondContact O-N 3.01Å; G652-K654 VanDerWaalsContact C-N 3.27Å; G652-K654 PolarHBondContact O-N 2.98Å; K654-N657 PolarHBondContact O-N 2.98Å; K654-E658 PolarHBondContact O-N 3.38Å; K654-E658 VanDerWaalsContact O-N 3.13Å
655L83.6Confident80Confident131 Ų131104.2 Ų104.269%0.68657%0.568SS**Hα-helixtrans-65.6-40.6174.2-71.6168.8000111.6E651 G652 E658 A659E651-L655 WeakPolarHBondContact O-CG 3.46Å; E651-L655 PolarHBondContact O-N 3.14Å; G652-L655 PolarHBondContact O-N 3.05Å; L655-E658 PolarHBondContact O-N 2.9Å; L655-A659 WeakPolarHBondContact O-CB 3.31Å; L655-A659 PolarHBondContact O-N 3.32Å
656E84.8Confident82.1Confident113 Ų113101.4 Ų101.453%0.52856%0.557SS.*Hα-helixtrans-62.1-45.6174.7-174.7176.4-167.200111.8G652 E658 A659 L660G652-E656 PolarHBondContact O-N 3.43Å; E656-E658 VanDerWaalsContact C-N 3.31Å; E656-E658 PolarHBondContact O-N 3.42Å; E656-A659 PolarHBondContact O-N 2.87Å; E656-L660 HydrophobicContact CG-CD1 4.18Å; E656-L660 WeakPolarHBondContact O-CB 3.45Å; E656-L660 VanDerWaalsContact O-CG 3.3Å; E656-L660 WeakPolarHBondContact O-CG 3.37Å; E656-L660 PolarHBondContact O-N 2.91Å
657N87.6Confident83.9Confident87 Ų87101.2 Ų101.247%0.46555%0.55SS.*Hα-helixtrans-61.2-37.2176.6-89.3-92.6000112.8L653 K654 R661L653-N657 WeakPolarHBondContact O-CB 3.23Å; L653-N657 PolarHBondContact O-N 3.44Å; L653-N657 PolarHBondContact O-ND2 2.98Å; K654-N657 PolarHBondContact O-N 2.98Å; N657-R661 WeakPolarHBondContact O-CD 3.46Å; N657-R661 VanDerWaalsContact O-CG 3.29Å; N657-R661 WeakPolarHBondContact O-CG 3.39Å; N657-R661 PolarHBondContact O-N 3.45Å
658E92.4Very high85.7Confident110 Ų110101.5 Ų101.551%0.51454%0.541SS..Hα-helixtrans-75-35.7178.4-157.560.9-160.200112K654 L655 E656 R661 S662K654-E658 PolarHBondContact O-N 3.38Å; K654-E658 VanDerWaalsContact O-N 3.13Å; L655-E658 PolarHBondContact O-N 2.9Å; E656-E658 VanDerWaalsContact C-N 3.31Å; E656-E658 PolarHBondContact O-N 3.42Å; E658-R661 WeakPolarHBondContact O-CB 3.46Å; E658-R661 PolarHBondContact O-N 3.46Å; E658-R661 WeakPolarHBondContact OE2-CD 3Å; E658-R661 IonicContact OE2-CZ 3.76Å; E658-R661 IonicContact OE2-NE 3.11Å; E658-R661 IonicContact OE2-NH1 2.66Å; E658-R661 PolarHBondContact OE2-NH1 3.03Å; E658-S662 PolarHBondContact O-N 3.4Å
659A90.8Very high87.3Confident62 Ų62105.2 Ų105.251%0.51254%0.544SS..Hα-helixtrans-62.3-42.2170.400000112.1L655 E656 R661 S662 L663L655-A659 WeakPolarHBondContact O-CB 3.31Å; L655-A659 PolarHBondContact O-N 3.32Å; E656-A659 PolarHBondContact O-N 2.87Å; A659-R661 VanDerWaalsContact C-N 3.32Å; A659-R661 PolarHBondContact O-N 3.02Å; A659-S662 PolarHBondContact O-N 3.32Å; A659-L663 WeakPolarHBondContact O-CB 3.38Å; A659-L663 PolarHBondContact O-N 3.24Å
660L93.5Very high88.8Confident99 Ų99104 Ų10452%0.51854%0.541SS..Hα-helixtrans-63.7-35.2174.6-71.9170.5000112.3E656 L664E656-L660 HydrophobicContact CG-CD1 4.18Å; E656-L660 WeakPolarHBondContact O-CB 3.45Å; E656-L660 VanDerWaalsContact O-CG 3.3Å; E656-L660 WeakPolarHBondContact O-CG 3.37Å; E656-L660 PolarHBondContact O-N 2.91Å; L660-L664 VanDerWaalsContact O-CB 3.31Å; L660-L664 WeakPolarHBondContact O-CB 3.46Å; L660-L664 PolarHBondContact O-N 2.82Å
661R93.5Very high90.1Very high146 Ų146100.8 Ų100.855%0.55153%0.527SS*.Hα-helixtrans-68.1-42.6173.4-76.2164.1170-172.7-4.2112.7N657 E658 A659 L664 N665N657-R661 WeakPolarHBondContact O-CD 3.46Å; N657-R661 VanDerWaalsContact O-CG 3.29Å; N657-R661 WeakPolarHBondContact O-CG 3.39Å; N657-R661 PolarHBondContact O-N 3.45Å; E658-R661 WeakPolarHBondContact O-CB 3.46Å; E658-R661 PolarHBondContact O-N 3.46Å; E658-R661 WeakPolarHBondContact OE2-CD 3Å; E658-R661 IonicContact OE2-CZ 3.76Å; E658-R661 IonicContact OE2-NE 3.11Å; E658-R661 IonicContact OE2-NH1 2.66Å; E658-R661 PolarHBondContact OE2-NH1 3.03Å; A659-R661 VanDerWaalsContact C-N 3.32Å; A659-R661 PolarHBondContact O-N 3.02Å; R661-L664 PolarHBondContact O-N 3.41Å; R661-N665 PolarHBondContact O-N 3.04Å; R661-N665 PolarHBondContact O-ND2 3.22Å
662S93.5Very high91Very high64 Ų6497.7 Ų97.745%0.44852%0.522SS..Hα-helixtrans-58.4-51.7173.4-166.20000110.5E658 A659 L664 N665 D666E658-S662 PolarHBondContact O-N 3.4Å; A659-S662 PolarHBondContact O-N 3.32Å; S662-L664 VanDerWaalsContact C-N 3.28Å; S662-L664 PolarHBondContact O-N 3.02Å; S662-N665 WeakPolarHBondContact O-CA 3.12Å; S662-N665 WeakPolarHBondContact O-CB 3.32Å; S662-N665 PolarHBondContact O-N 2.8Å; S662-D666 VanDerWaalsContact O-CG 3.27Å; S662-D666 PolarHBondContact O-N 2.89Å
663L94.2Very high91.8Very high114 Ų11499.3 Ų99.360%0.59753%0.525SS*.Hα-helixtrans-60.2-35.8179.6-175.263.1000112.8A659 A667A659-L663 WeakPolarHBondContact O-CB 3.38Å; A659-L663 PolarHBondContact O-N 3.24Å; L663-A667 VanDerWaalsContact O-CB 3.29Å; L663-A667 WeakPolarHBondContact O-CB 3.37Å; L663-A667 PolarHBondContact O-N 2.99Å
664L94.9Very high92.5Very high103 Ų10399 Ų9954%0.53952%0.522SS..Hα-helixtrans-68.2-38.6174.1-179.460.4000112.2L660 R661 S662 N668L660-L664 VanDerWaalsContact O-CB 3.31Å; L660-L664 WeakPolarHBondContact O-CB 3.46Å; L660-L664 PolarHBondContact O-N 2.82Å; R661-L664 PolarHBondContact O-N 3.41Å; S662-L664 VanDerWaalsContact C-N 3.28Å; S662-L664 PolarHBondContact O-N 3.02Å; L664-N668 WeakPolarHBondContact O-CB 3.49Å; L664-N668 VanDerWaalsContact O-CG 3.27Å; L664-N668 PolarHBondContact O-N 3.19Å; L664-N668 PolarHBondContact O-ND2 3.36Å
665N95.2Very high93.1Very high105 Ų10598 Ų9856%0.56152%0.518SS*.Hα-helixtrans-66.9-43.5174.7-71.6-21.9000111.4R661 S662 A667 N668 H669R661-N665 PolarHBondContact O-N 3.04Å; R661-N665 PolarHBondContact O-ND2 3.22Å; S662-N665 WeakPolarHBondContact O-CA 3.12Å; S662-N665 WeakPolarHBondContact O-CB 3.32Å; S662-N665 PolarHBondContact O-N 2.8Å; N665-A667 PolarHBondContact O-N 3Å; N665-N668 PolarHBondContact O-N 3.13Å; N665-H669 PolarHBondContact O-N 3.38Å
666D94.2Very high93.6Very high95 Ų9595.3 Ų95.351%0.50851%0.51SS..Hα-helixtrans-60.9-43.9175.6-63-36.4000111.2S662 H669 L670S662-D666 VanDerWaalsContact O-CG 3.27Å; S662-D666 PolarHBondContact O-N 2.89Å; D666-H669 PolarHBondContact O-N 2.9Å; D666-L670 WeakPolarHBondContact O-CB 3.34Å; D666-L670 PolarHBondContact O-N 2.86Å
667A95Very high94.1Very high40 Ų4095.6 Ų95.633%0.33151%0.511SS..Hα-helixtrans-63.1-42174.600000112.3L663 N665 L670 I671L663-A667 VanDerWaalsContact O-CB 3.29Å; L663-A667 WeakPolarHBondContact O-CB 3.37Å; L663-A667 PolarHBondContact O-N 2.99Å; N665-A667 PolarHBondContact O-N 3Å; A667-L670 PolarHBondContact O-N 3.15Å; A667-I671 WeakPolarHBondContact O-CB 3.29Å; A667-I671 WeakPolarHBondContact O-CD1 3.49Å; A667-I671 VanDerWaalsContact O-CG1 3.22Å; A667-I671 WeakPolarHBondContact O-CG1 3.43Å; A667-I671 PolarHBondContact O-N 2.94Å
668N95Very high94.5Very high85 Ų8594.4 Ų94.446%0.45551%0.507SS..Hα-helixtrans-65.2-39.8175.9-78.8-41.4000112.2L664 N665 I671 S672L664-N668 WeakPolarHBondContact O-CB 3.49Å; L664-N668 VanDerWaalsContact O-CG 3.27Å; L664-N668 PolarHBondContact O-N 3.19Å; L664-N668 PolarHBondContact O-ND2 3.36Å; N665-N668 PolarHBondContact O-N 3.13Å; N668-I671 PolarHBondContact O-N 2.84Å; N668-S672 PolarHBondContact O-N 3.48Å
669H95.3Very high94.6Very high133 Ų13394.3 Ų94.362%0.61651%0.51SS*.Hα-helixtrans-62.1-48.3173.4-172-61.3000110.7N665 D666 I671 S672 T673N665-H669 PolarHBondContact O-N 3.38Å; D666-H669 PolarHBondContact O-N 2.9Å; H669-I671 VanDerWaalsContact C-N 3.33Å; H669-I671 PolarHBondContact O-N 3.03Å; H669-S672 WeakPolarHBondContact O-CA 3.44Å; H669-S672 VanDerWaalsContact O-CB 3.3Å; H669-S672 WeakPolarHBondContact O-CB 3.49Å; H669-S672 PolarHBondContact O-N 2.83Å; H669-T673 PolarHBondContact ND1-OG1 2.78Å; H669-T673 PolarHBondContact O-N 3.02Å; H669-T673 PolarHBondContact O-OG1 2.92Å; H669-T673 VanDerWaalsContact O-OG1 3.1Å
670L95.6Very high94.7Very high105 Ų10594.4 Ų94.455%0.5550%0.504SS..Hα-helixtrans-59.7-42.1177.7-179.560.7000112.1D666 A667 S672 T673 I674D666-L670 WeakPolarHBondContact O-CB 3.34Å; D666-L670 PolarHBondContact O-N 2.86Å; A667-L670 PolarHBondContact O-N 3.15Å; L670-S672 VanDerWaalsContact C-N 3.3Å; L670-S672 PolarHBondContact O-N 3.33Å; L670-T673 PolarHBondContact O-N 3.25Å; L670-I674 HydrophobicContact CD1-CD1 4.02Å; L670-I674 HydrophobicContact CD1-CG1 4.3Å; L670-I674 HydrophobicContact CG-CD1 3.9Å; L670-I674 WeakPolarHBondContact O-CB 3.3Å; L670-I674 VanDerWaalsContact O-CG1 3.27Å; L670-I674 WeakPolarHBondContact O-CG1 3.48Å; L670-I674 PolarHBondContact O-N 2.93Å
671I95.2Very high94.8Very high81 Ų8193.7 Ų93.742%0.41550%0.5SS..Hα-helixtrans-61-39.1173.7-72.2163.3000111.1A667 N668 H669 K675A667-I671 WeakPolarHBondContact O-CB 3.29Å; A667-I671 WeakPolarHBondContact O-CD1 3.49Å; A667-I671 VanDerWaalsContact O-CG1 3.22Å; A667-I671 WeakPolarHBondContact O-CG1 3.43Å; A667-I671 PolarHBondContact O-N 2.94Å; N668-I671 PolarHBondContact O-N 2.84Å; H669-I671 VanDerWaalsContact C-N 3.33Å; H669-I671 PolarHBondContact O-N 3.03Å; I671-K675 HydrophobicContact CG2-CD 4.07Å; I671-K675 WeakPolarHBondContact O-CB 3.31Å; I671-K675 VanDerWaalsContact O-CG 3.28Å; I671-K675 WeakPolarHBondContact O-CG 3.29Å; I671-K675 PolarHBondContact O-N 2.76Å
672S93.9Very high94.9Very high79 Ų7992 Ų9255%0.55250%0.499SS*.Hα-helixtrans-65-47.3175.6-164.80000111.9N668 H669 L670 I674 K675 S676N668-S672 PolarHBondContact O-N 3.48Å; H669-S672 WeakPolarHBondContact O-CA 3.44Å; H669-S672 VanDerWaalsContact O-CB 3.3Å; H669-S672 WeakPolarHBondContact O-CB 3.49Å; H669-S672 PolarHBondContact O-N 2.83Å; L670-S672 VanDerWaalsContact C-N 3.3Å; L670-S672 PolarHBondContact O-N 3.33Å; S672-I674 PolarHBondContact O-N 3.36Å; S672-K675 PolarHBondContact O-N 3.19Å; S672-S676 PolarHBondContact O-N 2.98Å
673T94.6Very high94.9Very high71 Ų7192.9 Ų92.944%0.43650%0.501SS..Hα-helixtrans-59.4-44.9176-510000111.8H669 L670 S676 H677H669-T673 PolarHBondContact ND1-OG1 2.78Å; H669-T673 PolarHBondContact O-N 3.02Å; H669-T673 PolarHBondContact O-OG1 2.92Å; H669-T673 VanDerWaalsContact O-OG1 3.1Å; L670-T673 PolarHBondContact O-N 3.25Å; T673-S676 PolarHBondContact O-N 2.97Å; T673-H677 PolarHBondContact O-N 3.46Å
674I96.2Very high95Very high93 Ų9393 Ų9348%0.47750%0.499SS..Hα-helixtrans-63.4-46.9177.7-69.8167.9000110.8L670 S672 S676 H677 T678L670-I674 HydrophobicContact CD1-CD1 4.02Å; L670-I674 HydrophobicContact CD1-CG1 4.3Å; L670-I674 HydrophobicContact CG-CD1 3.9Å; L670-I674 WeakPolarHBondContact O-CB 3.3Å; L670-I674 VanDerWaalsContact O-CG1 3.27Å; L670-I674 WeakPolarHBondContact O-CG1 3.48Å; L670-I674 PolarHBondContact O-N 2.93Å; S672-I674 PolarHBondContact O-N 3.36Å; I674-S676 VanDerWaalsContact C-N 3.33Å; I674-S676 PolarHBondContact O-N 3.48Å; I674-H677 PolarHBondContact O-N 2.86Å; I674-T678 PolarHBondContact O-N 2.82Å; I674-T678 PolarHBondContact O-OG1 3.23Å
675K95.8Very high95Very high141 Ų14193.4 Ų93.461%0.61350%0.501SS*.Hα-helixtrans-58.5-43.2177.3-78173177.8177.90112.5I671 S672 T678 L679I671-K675 HydrophobicContact CG2-CD 4.07Å; I671-K675 WeakPolarHBondContact O-CB 3.31Å; I671-K675 VanDerWaalsContact O-CG 3.28Å; I671-K675 WeakPolarHBondContact O-CG 3.29Å; I671-K675 PolarHBondContact O-N 2.76Å; S672-K675 PolarHBondContact O-N 3.19Å; K675-T678 PolarHBondContact O-N 3.44Å; K675-L679 PolarHBondContact O-N 2.93Å
676S94.9Very high94.9Very high76 Ų7693 Ų9353%0.53150%0.499SS..Hα-helixtrans-59.9-49.6175.9-173.90000111.3S672 T673 I674 T678 L679 T680S672-S676 PolarHBondContact O-N 2.98Å; T673-S676 PolarHBondContact O-N 2.97Å; I674-S676 VanDerWaalsContact C-N 3.33Å; I674-S676 PolarHBondContact O-N 3.48Å; S676-T678 PolarHBondContact O-N 2.91Å; S676-L679 PolarHBondContact O-N 3.48Å; S676-T680 PolarHBondContact O-N 3.03Å; S676-T680 PolarHBondContact O-OG1 3.26Å
677H95.4Very high94.9Very high119 Ų11990.9 Ų90.955%0.55150%0.495SS*.Hα-helixtrans-64.3-38.5179-173.5-99.4000113.2T673 I674 T680 L681T673-H677 PolarHBondContact O-N 3.46Å; I674-H677 PolarHBondContact O-N 2.86Å; H677-T680 PolarHBondContact O-N 3.34Å; H677-L681 WeakPolarHBondContact O-CG 3.48Å; H677-L681 PolarHBondContact O-N 2.97Å
678T95.1Very high95Very high61 Ų6195 Ų9537%0.37451%0.505SS..Hα-helixtrans-60.3-46.7172.8-67.80000111.4I674 K675 S676 T680 L681 E682I674-T678 PolarHBondContact O-N 2.82Å; I674-T678 PolarHBondContact O-OG1 3.23Å; K675-T678 PolarHBondContact O-N 3.44Å; S676-T678 PolarHBondContact O-N 2.91Å; T678-T680 VanDerWaalsContact C-N 3.34Å; T678-T680 PolarHBondContact O-N 2.97Å; T678-L681 PolarHBondContact O-N 3.27Å; T678-E682 HydrophobicContact CG2-CG 4.44Å; T678-E682 WeakPolarHBondContact CG2-OE1 3.27Å; T678-E682 WeakPolarHBondContact O-CG 3.42Å; T678-E682 PolarHBondContact O-N 2.96Å
679L94.5Very high95Very high109 Ų10994.2 Ų94.257%0.57150%0.503SS*.Hα-helixtrans-63-39.8179-170.4152.7000111.7K675 S676 E682 T683K675-L679 PolarHBondContact O-N 2.93Å; S676-L679 PolarHBondContact O-N 3.48Å; L679-E682 PolarHBondContact O-N 2.92Å; L679-T683 HydrophobicContact CD2-CG2 4.43Å; L679-T683 PolarHBondContact O-N 3.1Å; L679-T683 PolarHBondContact O-OG1 3.36Å
680T93.7Very high94.9Very high64 Ų6493 Ų9339%0.39350%0.501SS..Hα-helixtrans-58.8-51.5172.2-56.80000111.2S676 H677 T678 E682 T683 E684S676-T680 PolarHBondContact O-N 3.03Å; S676-T680 PolarHBondContact O-OG1 3.26Å; H677-T680 PolarHBondContact O-N 3.34Å; T678-T680 VanDerWaalsContact C-N 3.34Å; T678-T680 PolarHBondContact O-N 2.97Å; T680-E682 VanDerWaalsContact C-N 3.3Å; T680-E682 PolarHBondContact O-N 2.88Å; T680-T683 PolarHBondContact O-N 2.9Å; T680-T683 VanDerWaalsContact O-N 3.09Å; T680-T683 PolarHBondContact O-OG1 2.71Å; T680-E684 PolarHBondContact O-N 2.85Å
681L95.5Very high94.9Very high84 Ų8490 Ų9044%0.4449%0.486SS..Hα-helixtrans-61.8-34.3178.5-71177.3000113.3H677 T678 E684 L685H677-L681 WeakPolarHBondContact O-CG 3.48Å; H677-L681 PolarHBondContact O-N 2.97Å; T678-L681 PolarHBondContact O-N 3.27Å; L681-E684 PolarHBondContact O-N 3.02Å; L681-L685 VanDerWaalsContact O-CB 3.26Å; L681-L685 WeakPolarHBondContact O-CB 3.16Å; L681-L685 PolarHBondContact O-N 3.33Å
682E94.8Very high95Very high111 Ų11190.7 Ų90.752%0.51949%0.493SS..Hα-helixtrans-65.6-39.3173.8-75.8174.3-178.500111.8T678 L679 T680 N686T678-E682 HydrophobicContact CG2-CG 4.44Å; T678-E682 WeakPolarHBondContact CG2-OE1 3.27Å; T678-E682 WeakPolarHBondContact O-CG 3.42Å; T678-E682 PolarHBondContact O-N 2.96Å; L679-E682 PolarHBondContact O-N 2.92Å; T680-E682 VanDerWaalsContact C-N 3.3Å; T680-E682 PolarHBondContact O-N 2.88Å; E682-N686 WeakPolarHBondContact O-CB 3.25Å; E682-N686 PolarHBondContact O-N 3.4Å; E682-N686 PolarHBondContact O-ND2 3.25Å
683T94.5Very high95Very high82 Ų8291.2 Ų91.250%0.50349%0.49SS..Hα-helixtrans-68.9-39.4174.957.10000112.7L679 T680 A687L679-T683 HydrophobicContact CD2-CG2 4.43Å; L679-T683 PolarHBondContact O-N 3.1Å; L679-T683 PolarHBondContact O-OG1 3.36Å; T680-T683 PolarHBondContact O-N 2.9Å; T680-T683 VanDerWaalsContact O-N 3.09Å; T680-T683 PolarHBondContact O-OG1 2.71Å; T683-A687 WeakPolarHBondContact O-CB 3.48Å; T683-A687 PolarHBondContact O-N 3.33Å
684E95.5Very high95.1Very high115 Ų11593.5 Ų93.554%0.53749%0.491SS..Hα-helixtrans-64-43.7172.7-71.6-172.2-179.600112.5T680 L681 A687 K688T680-E684 PolarHBondContact O-N 2.85Å; L681-E684 PolarHBondContact O-N 3.02Å; E684-A687 WeakPolarHBondContact O-CB 3.4Å; E684-A687 PolarHBondContact O-N 2.89Å; E684-K688 WeakPolarHBondContact O-CG 3.38Å; E684-K688 PolarHBondContact O-N 3.33Å
685L94.5Very high95.1Very high112 Ų11293.6 Ų93.659%0.58649%0.492SS*.Hα-helixtrans-63-44.9178.3-178.161.4000111.3L681 A687 K688 V689L681-L685 VanDerWaalsContact O-CB 3.26Å; L681-L685 WeakPolarHBondContact O-CB 3.16Å; L681-L685 PolarHBondContact O-N 3.33Å; L685-A687 VanDerWaalsContact C-N 3.33Å; L685-A687 PolarHBondContact O-N 3.18Å; L685-K688 PolarHBondContact O-N 3Å; L685-K688 VanDerWaalsContact O-N 3.08Å; L685-V689 WeakPolarHBondContact O-CG2 3.24Å; L685-V689 PolarHBondContact O-N 2.81Å
686N93.7Very high95Very high97 Ų9790 Ų9052%0.51949%0.485SS..Hα-helixtrans-61.9-39.7175-77.4-52.6000111.9E682 K688 V689 N690E682-N686 WeakPolarHBondContact O-CB 3.25Å; E682-N686 PolarHBondContact O-N 3.4Å; E682-N686 PolarHBondContact O-ND2 3.25Å; N686-K688 VanDerWaalsContact C-N 3.29Å; N686-K688 PolarHBondContact O-N 2.84Å; N686-V689 PolarHBondContact O-N 2.75Å; N686-N690 PolarHBondContact O-N 3.02Å; N686-N690 VanDerWaalsContact O-N 3.08Å; N686-N690 PolarHBondContact O-ND2 2.9Å
687A94.6Very high95.1Very high51 Ų5191.1 Ų91.142%0.42148%0.481SS..Hα-helixtrans-61.2-36.9172.400000112.3T683 E684 L685 D691T683-A687 WeakPolarHBondContact O-CB 3.48Å; T683-A687 PolarHBondContact O-N 3.33Å; E684-A687 WeakPolarHBondContact O-CB 3.4Å; E684-A687 PolarHBondContact O-N 2.89Å; L685-A687 VanDerWaalsContact C-N 3.33Å; L685-A687 PolarHBondContact O-N 3.18Å; A687-D691 PolarHBondContact O-N 2.96Å
688K95.9Very high95.1Very high126 Ų12689.9 Ų89.955%0.54848%0.476SS..Hα-helixtrans-74.4-32.7177-68.2-67.8146.5-148.70114E684 L685 N686 D691 V692E684-K688 WeakPolarHBondContact O-CG 3.38Å; E684-K688 PolarHBondContact O-N 3.33Å; L685-K688 PolarHBondContact O-N 3Å; L685-K688 VanDerWaalsContact O-N 3.08Å; N686-K688 VanDerWaalsContact C-N 3.29Å; N686-K688 PolarHBondContact O-N 2.84Å; K688-D691 IonicContact NZ-OD2 2.76Å; K688-D691 PolarHBondContact NZ-OD2 2.9Å; K688-D691 PolarHBondContact O-N 3.03Å; K688-V692 WeakPolarHBondContact O-CG2 3.31Å; K688-V692 PolarHBondContact O-N 2.94Å
689V95.9Very high95Very high68 Ų6892.7 Ų92.741%0.41249%0.488SS..Hα-helixtrans-62.2-48.2169.8173.30000110L685 N686 D691 V692 D693L685-V689 WeakPolarHBondContact O-CG2 3.24Å; L685-V689 PolarHBondContact O-N 2.81Å; N686-V689 PolarHBondContact O-N 2.75Å; V689-D691 VanDerWaalsContact C-N 3.31Å; V689-D691 PolarHBondContact O-N 3.22Å; V689-V692 WeakPolarHBondContact O-CB 3.42Å; V689-V692 PolarHBondContact O-N 2.75Å; V689-D693 PolarHBondContact O-N 2.94Å
690N93.9Very high94.9Very high107 Ų10790.7 Ų90.757%0.57248%0.482SS*.Hα-helixtrans-60.9-35.3176.5-68.9-43.6000113.4N686 R694N686-N690 PolarHBondContact O-N 3.02Å; N686-N690 VanDerWaalsContact O-N 3.08Å; N686-N690 PolarHBondContact O-ND2 2.9Å; N690-R694 WeakPolarHBondContact O-CB 3.45Å; N690-R694 PolarHBondContact O-N 3.1Å; N690-R694 VanDerWaalsContact O-N 3.13Å
691D95.2Very high94.8Very high44 Ų4494.7 Ų94.724%0.23549%0.49CS..Hα-helixtrans-63-43.5171.2-92.8-29.6000111.9A687 K688 V689 R694 L695A687-D691 PolarHBondContact O-N 2.96Å; K688-D691 IonicContact NZ-OD2 2.76Å; K688-D691 PolarHBondContact NZ-OD2 2.9Å; K688-D691 PolarHBondContact O-N 3.03Å; V689-D691 VanDerWaalsContact C-N 3.31Å; V689-D691 PolarHBondContact O-N 3.22Å; D691-R694 IonicContact OD1-CZ 3.75Å; D691-R694 VanDerWaalsContact OD1-CZ 3.23Å; D691-R694 IonicContact OD1-NH1 2.77Å; D691-R694 PolarHBondContact OD1-NH1 2.83Å; D691-R694 IonicContact OD1-NH2 3.53Å; D691-R694 PolarHBondContact OD1-NH2 2.92Å; D691-L695 WeakPolarHBondContact O-CB 3.49Å; D691-L695 VanDerWaalsContact O-CG 3.27Å; D691-L695 WeakPolarHBondContact O-CG 3.32Å; D691-L695 PolarHBondContact O-N 3.01Å
692V96.2Very high94.7Very high94 Ų9494 Ų9457%0.5749%0.487SS*.Hα-helixtrans-66.3-44.3179.2168.70000111.2K688 V689 R694 L695 S696K688-V692 WeakPolarHBondContact O-CG2 3.31Å; K688-V692 PolarHBondContact O-N 2.94Å; V689-V692 WeakPolarHBondContact O-CB 3.42Å; V689-V692 PolarHBondContact O-N 2.75Å; V692-R694 PolarHBondContact O-N 3.2Å; V692-L695 PolarHBondContact O-N 2.7Å; V692-S696 WeakPolarHBondContact O-CB 3.21Å; V692-S696 PolarHBondContact O-N 3.47Å
693D94.2Very high94.6Very high91 Ų9194.5 Ų94.549%0.48749%0.487SS..Hα-helixtrans-61.8-45178.1-71.8-25.6000111.1V689 L695 S696 E697V689-D693 PolarHBondContact O-N 2.94Å; D693-L695 PolarHBondContact O-N 2.72Å; D693-S696 PolarHBondContact O-N 3.02Å; D693-S696 PolarHBondContact O-OG 2.95Å; D693-E697 PolarHBondContact O-N 2.87Å
694R96.3Very high94.4Very high119 Ų11994.7 Ų94.745%0.44949%0.485SS..Hα-helixtrans-58.2-47.5174.3-173.3-17670.3-108.6-4.3111.9N690 D691 V692 S696 E697 E698N690-R694 WeakPolarHBondContact O-CB 3.45Å; N690-R694 PolarHBondContact O-N 3.1Å; N690-R694 VanDerWaalsContact O-N 3.13Å; D691-R694 IonicContact OD1-CZ 3.75Å; D691-R694 VanDerWaalsContact OD1-CZ 3.23Å; D691-R694 IonicContact OD1-NH1 2.77Å; D691-R694 PolarHBondContact OD1-NH1 2.83Å; D691-R694 IonicContact OD1-NH2 3.53Å; D691-R694 PolarHBondContact OD1-NH2 2.92Å; V692-R694 PolarHBondContact O-N 3.2Å; R694-S696 VanDerWaalsContact C-N 3.29Å; R694-S696 PolarHBondContact O-N 3Å; R694-E697 PolarHBondContact O-N 3.26Å; R694-E698 IonicContact NE-OE1 3.25Å; R694-E698 WeakPolarHBondContact O-CG 3.05Å; R694-E698 PolarHBondContact O-N 2.97Å
695L96.6Very high94.2Very high94 Ų9496.3 Ų96.349%0.49249%0.486SS..Hα-helixtrans-64.2-34.3178.3-73.1169.6000112.1D691 V692 D693 L699D691-L695 WeakPolarHBondContact O-CB 3.49Å; D691-L695 VanDerWaalsContact O-CG 3.27Å; D691-L695 WeakPolarHBondContact O-CG 3.32Å; D691-L695 PolarHBondContact O-N 3.01Å; V692-L695 PolarHBondContact O-N 2.7Å; D693-L695 PolarHBondContact O-N 2.72Å; L695-L699 VanDerWaalsContact O-CB 3.27Å; L695-L699 WeakPolarHBondContact O-CB 3.12Å; L695-L699 PolarHBondContact O-N 3.35Å
696S94.8Very high94Very high67 Ų6792.2 Ų92.247%0.46947%0.465SS..Hα-helixtrans-65.6-39.4175.385.50000111.9V692 D693 R694 C700V692-S696 WeakPolarHBondContact O-CB 3.21Å; V692-S696 PolarHBondContact O-N 3.47Å; D693-S696 PolarHBondContact O-N 3.02Å; D693-S696 PolarHBondContact O-OG 2.95Å; R694-S696 VanDerWaalsContact C-N 3.29Å; R694-S696 PolarHBondContact O-N 3Å; S696-C700 WeakPolarHBondContact O-CB 3.42Å; S696-C700 PolarHBondContact O-N 2.96Å
697E95.2Very high93.8Very high98 Ų9891.9 Ų91.946%0.45846%0.462SS..Hα-helixtrans-71.1-42.7177.5-150.3-148.2157.600111.4D693 R694 L699 C700 R701D693-E697 PolarHBondContact O-N 2.87Å; R694-E697 PolarHBondContact O-N 3.26Å; E697-L699 VanDerWaalsContact C-N 3.34Å; E697-L699 PolarHBondContact O-N 3.33Å; E697-C700 PolarHBondContact O-N 3.42Å; E697-R701 VanDerWaalsContact CD-CZ 3.4Å; E697-R701 VanDerWaalsContact CD-NE 3.27Å; E697-R701 WeakPolarHBondContact O-CB 3.41Å; E697-R701 VanDerWaalsContact O-CG 3.22Å; E697-R701 WeakPolarHBondContact O-CG 3.48Å; E697-R701 PolarHBondContact O-N 3.19Å; E697-R701 IonicContact OE1-CZ 3.93Å; E697-R701 IonicContact OE1-NE 2.86Å; E697-R701 PolarHBondContact OE1-NE 2.97Å; E697-R701 IonicContact OE1-NH2 2.71Å; E697-R701 PolarHBondContact OE1-NH2 3.28Å; E697-R701 IonicContact OE2-CZ 3.73Å; E697-R701 VanDerWaalsContact OE2-CZ 3.32Å; E697-R701 IonicContact OE2-NE 3.56Å; E697-R701 IonicContact OE2-NH2 3.79Å; E697-R701 PolarHBondContact OE2-NH2 3.05Å
698E95.6Very high93.6Very high94 Ų9496.7 Ų96.744%0.43948%0.48SS..Hα-helixtrans-59.3-43.1173.7-74.6177.3-173.500111.9R694 R701 L702R694-E698 IonicContact NE-OE1 3.25Å; R694-E698 WeakPolarHBondContact O-CG 3.05Å; R694-E698 PolarHBondContact O-N 2.97Å; E698-R701 PolarHBondContact O-N 2.99Å; E698-L702 WeakPolarHBondContact O-CB 2.77Å; E698-L702 PolarHBondContact O-N 3.04Å
699L93.3Very high93.4Very high119 Ų11995.3 Ų95.362%0.62348%0.479SS*.Hα-helixtrans-66.4-38.4175.8-173.164.6000112.1L695 E697 L702 K703L695-L699 VanDerWaalsContact O-CB 3.27Å; L695-L699 WeakPolarHBondContact O-CB 3.12Å; L695-L699 PolarHBondContact O-N 3.35Å; E697-L699 VanDerWaalsContact C-N 3.34Å; E697-L699 PolarHBondContact O-N 3.33Å; L699-L702 PolarHBondContact O-N 3.13Å; L699-K703 WeakPolarHBondContact O-CB 3.16Å; L699-K703 PolarHBondContact O-N 3.3Å
700C92.7Very high93Very high67 Ų6794.5 Ų94.545%0.45349%0.485SS..Hα-helixtrans-64.4-47.3174.5-169.80000111.6S696 E697 L702 K703 N704S696-C700 WeakPolarHBondContact O-CB 3.42Å; S696-C700 PolarHBondContact O-N 2.96Å; E697-C700 PolarHBondContact O-N 3.42Å; C700-L702 VanDerWaalsContact C-N 3.33Å; C700-L702 PolarHBondContact O-N 3.37Å; C700-K703 PolarHBondContact O-N 3.33Å; C700-N704 WeakPolarHBondContact O-CB 3.43Å; C700-N704 VanDerWaalsContact O-CG 3.27Å; C700-N704 PolarHBondContact O-N 2.76Å; C700-N704 PolarHBondContact O-ND2 2.65Å
701R93Very high92.5Very high148 Ų14892.7 Ų92.756%0.55847%0.474SS*.Hα-helixtrans-58.3-43.4174.3-69.9165.9177.9-171.32.2111.3E697 E698 N704 R705E697-R701 VanDerWaalsContact CD-CZ 3.4Å; E697-R701 VanDerWaalsContact CD-NE 3.27Å; E697-R701 WeakPolarHBondContact O-CB 3.41Å; E697-R701 VanDerWaalsContact O-CG 3.22Å; E697-R701 WeakPolarHBondContact O-CG 3.48Å; E697-R701 PolarHBondContact O-N 3.19Å; E697-R701 IonicContact OE1-CZ 3.93Å; E697-R701 IonicContact OE1-NE 2.86Å; E697-R701 PolarHBondContact OE1-NE 2.97Å; E697-R701 IonicContact OE1-NH2 2.71Å; E697-R701 PolarHBondContact OE1-NH2 3.28Å; E697-R701 IonicContact OE2-CZ 3.73Å; E697-R701 VanDerWaalsContact OE2-CZ 3.32Å; E697-R701 IonicContact OE2-NE 3.56Å; E697-R701 IonicContact OE2-NH2 3.79Å; E697-R701 PolarHBondContact OE2-NH2 3.05Å; E698-R701 PolarHBondContact O-N 2.99Å; R701-N704 PolarHBondContact O-N 3.26Å; R701-R705 PolarHBondContact O-N 2.76Å
702L92.6Very high91.8Very high71 Ų7194.3 Ų94.337%0.37249%0.486SS..Hα-helixtrans-64.1-46.3176.5179.159.8000112.2E698 L699 C700 N704 R705 L706E698-L702 WeakPolarHBondContact O-CB 2.77Å; E698-L702 PolarHBondContact O-N 3.04Å; L699-L702 PolarHBondContact O-N 3.13Å; C700-L702 VanDerWaalsContact C-N 3.33Å; C700-L702 PolarHBondContact O-N 3.37Å; L702-N704 VanDerWaalsContact C-N 3.34Å; L702-N704 PolarHBondContact O-N 3.29Å; L702-R705 PolarHBondContact O-N 2.65Å; L702-L706 HydrophobicContact CD1-CD1 4.28Å; L702-L706 HydrophobicContact CD1-CG 4.29Å; L702-L706 HydrophobicContact CG-CD1 4.12Å; L702-L706 WeakPolarHBondContact O-CG 3.39Å; L702-L706 PolarHBondContact O-N 3.18Å
703K91.8Very high91.1Very high121 Ų12196.1 Ų96.153%0.52649%0.488SS..Hα-helixtrans-57.6-45.9175.4179.4176.3-179.1175.80111.5L699 C700 R705 L706 L707 L715L699-K703 WeakPolarHBondContact O-CB 3.16Å; L699-K703 PolarHBondContact O-N 3.3Å; C700-K703 PolarHBondContact O-N 3.33Å; K703-R705 VanDerWaalsContact C-N 3.35Å; K703-R705 PolarHBondContact O-N 3.42Å; K703-L706 PolarHBondContact O-N 3.28Å; K703-L707 HydrophobicContact CG-CD1 4.23Å; K703-L707 WeakPolarHBondContact O-CG 3.4Å; K703-L707 PolarHBondContact O-N 2.67Å; K703-L715 HydrophobicContact CG-CD2 4.2Å
704N90.4Very high90.3Very high85 Ų8599.1 Ų99.146%0.45549%0.494SS..Hα-helixtrans-63.8-38.7178.2-69.3-22.6000112C700 R701 L702 L707 L708C700-N704 WeakPolarHBondContact O-CB 3.43Å; C700-N704 VanDerWaalsContact O-CG 3.27Å; C700-N704 PolarHBondContact O-N 2.76Å; C700-N704 PolarHBondContact O-ND2 2.65Å; R701-N704 PolarHBondContact O-N 3.26Å; L702-N704 VanDerWaalsContact C-N 3.34Å; L702-N704 PolarHBondContact O-N 3.29Å; N704-L707 PolarHBondContact O-N 3.46Å; N704-L708 WeakPolarHBondContact O-CG 3.45Å; N704-L708 PolarHBondContact O-N 3.04Å; N704-L708 VanDerWaalsContact O-N 3.08Å
705R91.6Very high89.3Confident149 Ų14996.3 Ų96.356%0.56249%0.487SS*.Hα-helixtrans-65.4-47173.5-170.8179.268-168.2-1.8112.1R701 L702 K703 L707 L708 D709R701-R705 PolarHBondContact O-N 2.76Å; L702-R705 PolarHBondContact O-N 2.65Å; K703-R705 VanDerWaalsContact C-N 3.35Å; K703-R705 PolarHBondContact O-N 3.42Å; R705-L707 PolarHBondContact O-N 2.74Å; R705-L708 PolarHBondContact O-N 2.85Å; R705-L708 VanDerWaalsContact O-N 3.07Å; R705-D709 WeakPolarHBondContact CG-OD2 3.43Å; R705-D709 WeakPolarHBondContact O-CB 3.37Å; R705-D709 VanDerWaalsContact O-CG 3.3Å; R705-D709 PolarHBondContact O-N 3.26Å
706L91Very high87.6Confident26 Ų2699.2 Ų99.214%0.13650%0.498CS..Hα-helixtrans-59.5-34.9177.5-71.3169.8000112.6L702 K703 G710 L711 Y714 L715L702-L706 HydrophobicContact CD1-CD1 4.28Å; L702-L706 HydrophobicContact CD1-CG 4.29Å; L702-L706 HydrophobicContact CG-CD1 4.12Å; L702-L706 WeakPolarHBondContact O-CG 3.39Å; L702-L706 PolarHBondContact O-N 3.18Å; K703-L706 PolarHBondContact O-N 3.28Å; L706-G710 PolarHBondContact O-N 3.46Å; L706-L711 HydrophobicContact CD2-CB 3.84Å; L706-L711 HydrophobicContact CD2-CD1 4.03Å; L706-L711 PolarHBondContact O-N 2.97Å; L706-Y714 HydrophobicContact CD2-CD2 4.18Å; L706-L715 HydrophobicContact CB-CD1 4.47Å; L706-L715 HydrophobicContact CB-CD2 4.14Å; L706-L715 HydrophobicContact CB-CG 4.44Å; L706-L715 HydrophobicContact CD1-CD2 3.86Å
707L89.1Confident85.8Confident90 Ų90105.9 Ų105.947%0.47152%0.519SS..Hα-helixtrans-68.5-41173.1-73.3168.9000112.7K703 N704 R705 G710 L715K703-L707 HydrophobicContact CG-CD1 4.23Å; K703-L707 WeakPolarHBondContact O-CG 3.4Å; K703-L707 PolarHBondContact O-N 2.67Å; N704-L707 PolarHBondContact O-N 3.46Å; R705-L707 PolarHBondContact O-N 2.74Å; L707-G710 PolarHBondContact O-N 2.81Å; L707-L715 HydrophobicContact CD2-CD1 3.49Å; L707-L715 VanDerWaalsContact CD2-CD1 3.49Å; L707-L715 HydrophobicContact CG-CD1 3.75Å
708L90.3Very high83.4Confident153 Ų153111.4 Ų111.480%0.80156%0.559SS**Hα-helixtrans-68.4-38.6177-72.7167.7000112.6N704 R705 G710N704-L708 WeakPolarHBondContact O-CG 3.45Å; N704-L708 PolarHBondContact O-N 3.04Å; N704-L708 VanDerWaalsContact O-N 3.08Å; R705-L708 PolarHBondContact O-N 2.85Å; R705-L708 VanDerWaalsContact O-N 3.07Å; L708-G710 PolarHBondContact O-N 3.42Å
709D91.8Very high82.8Confident96 Ų96112.3 Ų112.351%0.51357%0.565SS.*THydrogen-bonded Turntrans-75.9-4.7178.2-63.6-21.1000112.8R705 L711R705-D709 WeakPolarHBondContact CG-OD2 3.43Å; R705-D709 WeakPolarHBondContact O-CB 3.37Å; R705-D709 VanDerWaalsContact O-CG 3.3Å; R705-D709 PolarHBondContact O-N 3.26Å; D709-L711 HydrophobicContact CB-CB 4.47Å; D709-L711 HydrophobicContact CB-CD1 3.76Å; D709-L711 HydrophobicContact CB-CG 3.78Å; D709-L711 PolarHBondContact O-N 2.86Å
710G86.6Confident82.3Confident52 Ų52111.9 Ų111.954%0.53656%0.562SS.*THydrogen-bonded Turntrans71.913-176.800000114.5L706 L707 L708 T712L706-G710 PolarHBondContact O-N 3.46Å; L707-G710 PolarHBondContact O-N 2.81Å; L708-G710 PolarHBondContact O-N 3.42Å; G710-T712 PolarHBondContact O-N 2.62Å
711L85.2Confident81.7Confident68 Ų68114.4 Ų114.436%0.35657%0.568SS.*  trans-84.847.7-172.5-64.2177000112.6L706 D709 Q713 Y714L706-L711 HydrophobicContact CD2-CB 3.84Å; L706-L711 HydrophobicContact CD2-CD1 4.03Å; L706-L711 PolarHBondContact O-N 2.97Å; D709-L711 HydrophobicContact CB-CB 4.47Å; D709-L711 HydrophobicContact CB-CD1 3.76Å; D709-L711 HydrophobicContact CB-CG 3.78Å; D709-L711 PolarHBondContact O-N 2.86Å; L711-Q713 PolarHBondContact O-N 2.97Å; L711-Q713 VanDerWaalsContact O-N 3.13Å; L711-Y714 HydrophobicContact CB-CD2 4.01Å; L711-Y714 HydrophobicContact CB-CE2 4.35Å; L711-Y714 HydrophobicContact CD2-CE2 4.5Å; L711-Y714 PolarHBondContact O-N 3.22Å
712T80.2Confident81.1Confident78 Ų78112.5 Ų112.548%0.47957%0.569SS.*G310 helixtrans-59.6-25.1-175.654.30000114G710 Y714 L715G710-T712 PolarHBondContact O-N 2.62Å; T712-Y714 PolarHBondContact O-N 2.76Å; T712-L715 WeakPolarHBondContact O-CB 3.3Å; T712-L715 PolarHBondContact O-N 3.44Å
713Q80Confident80.3Confident132 Ų132115.1 Ų115.162%0.61758%0.581SS**G310 helixtrans-57.4-16.5176.871.1-177.418.500114.9L711L711-Q713 PolarHBondContact O-N 2.97Å; L711-Q713 VanDerWaalsContact O-N 3.13Å
714Y77.7Confident79.6Confident154 Ų154114.7 Ų114.760%0.60459%0.585SS**G310 helixtrans-98.70.1174.7-57.8-74.5000113.8L706 L711 T712L706-Y714 HydrophobicContact CD2-CD2 4.18Å; L711-Y714 HydrophobicContact CB-CD2 4.01Å; L711-Y714 HydrophobicContact CB-CE2 4.35Å; L711-Y714 HydrophobicContact CD2-CE2 4.5Å; L711-Y714 PolarHBondContact O-N 3.22Å; T712-Y714 PolarHBondContact O-N 2.76Å
715L75.4Confident78.8Confident60 Ų60116.8 Ų116.831%0.31459%0.594SS.*THydrogen-bonded Turntrans-101.6-18.4179.4-57.2177.6000112.4K703 L706 L707 T712 K717K703-L715 HydrophobicContact CG-CD2 4.2Å; L706-L715 HydrophobicContact CB-CD1 4.47Å; L706-L715 HydrophobicContact CB-CD2 4.14Å; L706-L715 HydrophobicContact CB-CG 4.44Å; L706-L715 HydrophobicContact CD1-CD2 3.86Å; L707-L715 HydrophobicContact CD2-CD1 3.49Å; L707-L715 VanDerWaalsContact CD2-CD1 3.49Å; L707-L715 HydrophobicContact CG-CD1 3.75Å; T712-L715 WeakPolarHBondContact O-CB 3.3Å; T712-L715 PolarHBondContact O-N 3.44Å; L715-K717 PolarHBondContact O-N 3.32Å
716E61.2Low77.8Confident155 Ų155114.3 Ų114.372%0.72460%0.596SS**THydrogen-bonded Turntrans-93.168.7-178.6-63.7-174.8140.900113
717K57.3Low76.7Confident208 Ų208121.7 Ų121.790%0.90464%0.635SS**THydrogen-bonded Turntrans-169.521.3163.5-115.6156-167.3170.10118.7L715L715-K717 PolarHBondContact O-N 3.32Å
718V45.6Very low75.6Confident214 Ų214124.5 Ų124.5100%1.29765%0.65SS**  trans-124.50177.3-172.40000109.9

Retrieved 718 of 718 residues in 522.7 ms (Link to these results)

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