A0A093HQ02_STRCA Loading...

Apoptotic protease-activating factor 1

Oligomeric Apaf-1 mediates the cytochrome c-dependent autocatalytic activation of pro-caspase-9 (Apaf-3), leading to the activation of caspase-3 and apoptosis. This activation requires ATP.

AlphaFold DB , UniProt , Accession A0A093HQ02, Species STRCA (Struthio camelus australis), Gene n/a, Length 1,249 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M70.2Confident81.1Confident47 Ų4777.2 Ų77.223%0.23238%0.379CS..  0160.8064.3-178.562.700110.6R6 L9 L60 K63 N65 Y68M1-R6 HydrophobicContact CG-CB 3.86Å; M1-R6 HydrophobicContact CG-CG 4.35Å; M1-R6 VanDerWaalsContact SD-CA 3.51Å; M1-R6 HydrophobicContact SD-CB 3.8Å; M1-R6 HydrophobicContact SD-CG 4.13Å; M1-L9 HydrophobicContact CE-CD1 3.91Å; M1-L9 HydrophobicContact SD-CD1 3.9Å; M1-L60 WeakPolarHBondContact CE-O 3.48Å; M1-K63 PolarHBondContact N-O 3.39Å; M1-N65 VanDerWaalsContact C-OD1 3.27Å; M1-N65 WeakPolarHBondContact CA-OD1 3.12Å; M1-N65 WeakPolarHBondContact CB-OD1 3.28Å; M1-Y68 HydrophobicContact SD-CD2 4.21Å
2D78.5Confident81.7Confident77 Ų7772.6 Ų72.641%0.41236%0.358SS..  trans-60.3148177-67.5-9.2000111.1K4 S5 R6 N65D2-K4 PolarHBondContact O-N 3.29Å; D2-S5 PolarHBondContact O-N 3.49Å; D2-S5 VanDerWaalsContact O-N 3.12Å; D2-R6 PolarHBondContact O-N 3.36Å; D2-N65 PolarHBondContact N-OD1 3Å; D2-N65 PolarHBondContact OD1-ND2 2.56Å; D2-N65 PolarHBondContact OD2-ND2 3.29Å
3V74.6Confident82.3Confident111 Ų11171.7 Ų71.767%0.67335%0.348SS*.Hα-helixtrans-55.6-37.6178.9178.10000111.1N7V3-N7 WeakPolarHBondContact O-CB 3.47Å; V3-N7 PolarHBondContact O-N 2.8Å; V3-N7 PolarHBondContact O-ND2 2.53Å; V3-N7 PolarHBondContact O-OD1 3.15Å
4K80.3Confident82.5Confident124 Ų12478.5 Ų78.554%0.53938%0.379SS..Hα-helixtrans-59.6-57175.7-167.9-176.6-177.2-159.80110.7D2 R6 N7 Y8 D89D2-K4 PolarHBondContact O-N 3.29Å; K4-R6 VanDerWaalsContact C-N 3.33Å; K4-R6 PolarHBondContact O-N 2.78Å; K4-N7 PolarHBondContact O-N 2.79Å; K4-Y8 HydrophobicContact CG-CD2 4.09Å; K4-Y8 HydrophobicContact CG-CE2 3.93Å; K4-Y8 VanDerWaalsContact O-CD2 3.28Å; K4-Y8 WeakPolarHBondContact O-CD2 3.29Å; K4-Y8 PolarHBondContact O-N 2.74Å; K4-Y8 VanDerWaalsContact O-N 3.07Å; K4-D89 WeakPolarHBondContact CE-O 3.35Å; K4-D89 PolarHBondContact NZ-O 2.9Å
5S78.9Confident82.7Confident2 Ų275.5 Ų75.51%0.01437%0.372CS..Hα-helixtrans-59-43.5-179.8-49.70000111.7D2 N7 Y8 L9 Y68 G90D2-S5 PolarHBondContact O-N 3.49Å; D2-S5 VanDerWaalsContact O-N 3.12Å; S5-N7 VanDerWaalsContact C-N 3.33Å; S5-N7 PolarHBondContact O-N 2.99Å; S5-Y8 PolarHBondContact O-N 3.29Å; S5-L9 PolarHBondContact O-N 3.11Å; S5-L9 VanDerWaalsContact O-N 3.1Å; S5-Y68 WeakPolarHBondContact O-CE2 3.49Å; S5-G90 WeakPolarHBondContact CA-O 3.46Å; S5-G90 VanDerWaalsContact CB-O 3.31Å; S5-G90 WeakPolarHBondContact CB-O 3.48Å; S5-G90 PolarHBondContact OG-O 3.36Å
6R82.6Confident83Confident113 Ų11370.8 Ų70.843%0.42635%0.349SS..Hα-helixtrans-59.5-44176.9-163.2176.2172.4130.3-9.6111.9M1 D2 K4 Y8 L9 L10 L61M1-R6 HydrophobicContact CG-CB 3.86Å; M1-R6 HydrophobicContact CG-CG 4.35Å; M1-R6 VanDerWaalsContact SD-CA 3.51Å; M1-R6 HydrophobicContact SD-CB 3.8Å; M1-R6 HydrophobicContact SD-CG 4.13Å; D2-R6 PolarHBondContact O-N 3.36Å; K4-R6 VanDerWaalsContact C-N 3.33Å; K4-R6 PolarHBondContact O-N 2.78Å; R6-Y8 PolarHBondContact O-N 3.4Å; R6-L9 PolarHBondContact O-N 3.17Å; R6-L10 HydrophobicContact CG-CD1 4.33Å; R6-L10 WeakPolarHBondContact O-CG 3.5Å; R6-L10 PolarHBondContact O-N 3.36Å; R6-L61 HydrophobicContact CG-CD2 3.62Å; R6-L61 PolarHBondContact NH1-O 2.9Å
7N83.1Confident83.5Confident86 Ų8668.2 Ų68.246%0.4634%0.336SS..Hα-helixtrans-65.2-38.1178.5-71.3-11000112V3 K4 S5 L10 L11V3-N7 WeakPolarHBondContact O-CB 3.47Å; V3-N7 PolarHBondContact O-N 2.8Å; V3-N7 PolarHBondContact O-ND2 2.53Å; V3-N7 PolarHBondContact O-OD1 3.15Å; K4-N7 PolarHBondContact O-N 2.79Å; S5-N7 VanDerWaalsContact C-N 3.33Å; S5-N7 PolarHBondContact O-N 2.99Å; N7-L10 PolarHBondContact O-N 3.48Å; N7-L11 WeakPolarHBondContact O-CB 3.48Å; N7-L11 PolarHBondContact O-N 2.93Å
8Y83.9Confident83.7Confident72 Ų7272.4 Ų72.428%0.28235%0.352SS..Hα-helixtrans-67.2-35.2176-85.9-84.6000113.3K4 S5 R6 N12 D89K4-Y8 HydrophobicContact CG-CD2 4.09Å; K4-Y8 HydrophobicContact CG-CE2 3.93Å; K4-Y8 VanDerWaalsContact O-CD2 3.28Å; K4-Y8 WeakPolarHBondContact O-CD2 3.29Å; K4-Y8 PolarHBondContact O-N 2.74Å; K4-Y8 VanDerWaalsContact O-N 3.07Å; S5-Y8 PolarHBondContact O-N 3.29Å; R6-Y8 PolarHBondContact O-N 3.4Å; Y8-N12 WeakPolarHBondContact O-CB 3.33Å; Y8-N12 PolarHBondContact O-N 3.32Å; Y8-N12 PolarHBondContact O-ND2 3.03Å; Y8-D89 HydrophobicContact CE1-CB 3.91Å
9L85.6Confident83.7Confident0 Ų073 Ų730%036%0.357CS..Hα-helixtrans-66.7-41.2171.4-89.7168.2000111.9M1 S5 R6 R13 L16 L61 Y68 F71 L87M1-L9 HydrophobicContact CE-CD1 3.91Å; M1-L9 HydrophobicContact SD-CD1 3.9Å; S5-L9 PolarHBondContact O-N 3.11Å; S5-L9 VanDerWaalsContact O-N 3.1Å; R6-L9 PolarHBondContact O-N 3.17Å; L9-R13 WeakPolarHBondContact O-CA 3.49Å; L9-R13 WeakPolarHBondContact O-CB 3.24Å; L9-R13 PolarHBondContact O-N 3.22Å; L9-L16 HydrophobicContact CD2-CD1 3.72Å; L9-L61 HydrophobicContact CB-CD2 3.99Å; L9-L61 HydrophobicContact CD1-CD2 4.37Å; L9-Y68 HydrophobicContact CB-CE2 4.48Å; L9-Y68 HydrophobicContact CD1-CD2 3.5Å; L9-Y68 HydrophobicContact CD1-CE2 3.71Å; L9-Y68 HydrophobicContact CD2-CE2 4.5Å; L9-Y68 HydrophobicContact CG-CD2 3.92Å; L9-Y68 HydrophobicContact CG-CE2 3.56Å; L9-F71 HydrophobicContact CD2-CD1 4.29Å; L9-F71 HydrophobicContact CD2-CE1 3.85Å; L9-L87 HydrophobicContact CD2-CD1 4.38Å; L9-L87 HydrophobicContact CD2-CD2 4.21Å; L9-L87 HydrophobicContact CG-CD2 4.42Å
10L85.9Confident84Confident77 Ų7769.4 Ų69.440%0.40334%0.339SS..Hα-helixtrans-68.8-42.1179.3-72.5172.2000112.3R6 N7 N12 R13 L61R6-L10 HydrophobicContact CG-CD1 4.33Å; R6-L10 WeakPolarHBondContact O-CG 3.5Å; R6-L10 PolarHBondContact O-N 3.36Å; N7-L10 PolarHBondContact O-N 3.48Å; L10-N12 VanDerWaalsContact C-N 3.34Å; L10-N12 PolarHBondContact O-N 3.42Å; L10-R13 VanDerWaalsContact O-CB 3.22Å; L10-R13 WeakPolarHBondContact O-CB 3.46Å; L10-R13 PolarHBondContact O-N 2.96Å; L10-L61 HydrophobicContact CD2-CD1 3.68Å; L10-L61 HydrophobicContact CD2-CD2 4.09Å; L10-L61 HydrophobicContact CG-CD1 4.46Å; L10-L61 HydrophobicContact CG-CD2 3.96Å
11L88.2Confident84.3Confident140 Ų14071.6 Ų71.673%0.73335%0.347SS*.Hα-helixtrans-66.8-37.1-178.1-160.5151000111.4N7N7-L11 WeakPolarHBondContact O-CB 3.48Å; N7-L11 PolarHBondContact O-N 2.93Å
12N88.6Confident85.1Confident22 Ų2269.7 Ų69.712%0.11834%0.338CS..THydrogen-bonded Turntrans-988.6179.8-60.8-62.8000113.8Y8 L10 Q14 A15 L16 L86Y8-N12 WeakPolarHBondContact O-CB 3.33Å; Y8-N12 PolarHBondContact O-N 3.32Å; Y8-N12 PolarHBondContact O-ND2 3.03Å; L10-N12 VanDerWaalsContact C-N 3.34Å; L10-N12 PolarHBondContact O-N 3.42Å; N12-Q14 VanDerWaalsContact C-N 3.31Å; N12-Q14 PolarHBondContact O-N 3.17Å; N12-A15 PolarHBondContact O-N 2.64Å; N12-A15 VanDerWaalsContact O-N 3.1Å; N12-L16 HydrophobicContact CB-CD1 4.37Å; N12-L16 WeakPolarHBondContact O-CG 3.21Å; N12-L16 PolarHBondContact O-N 3.17Å; N12-L16 VanDerWaalsContact O-N 3.14Å; N12-L86 HydrophobicContact CB-CB 4.3Å; N12-L86 HydrophobicContact CB-CD1 4.44Å; N12-L86 PolarHBondContact ND2-O 3.35Å; N12-L86 VanDerWaalsContact ND2-O 3.09Å
13R89.2Confident85.4Confident61 Ų6168.8 Ų68.823%0.2334%0.338CS..Hα-helixtrans-53.1-44.3-173.3-177.5172.2177.3139.113113.2L9 L10 A15 L16 E17 I57 N58L9-R13 WeakPolarHBondContact O-CA 3.49Å; L9-R13 WeakPolarHBondContact O-CB 3.24Å; L9-R13 PolarHBondContact O-N 3.22Å; L10-R13 VanDerWaalsContact O-CB 3.22Å; L10-R13 WeakPolarHBondContact O-CB 3.46Å; L10-R13 PolarHBondContact O-N 2.96Å; R13-A15 VanDerWaalsContact C-N 3.32Å; R13-A15 PolarHBondContact O-N 3.11Å; R13-L16 PolarHBondContact O-N 2.96Å; R13-E17 HydrophobicContact CG-CG 4.21Å; R13-E17 WeakPolarHBondContact CG-OE1 3.21Å; R13-E17 IonicContact CZ-OE1 3.04Å; R13-E17 IonicContact NE-OE1 2.65Å; R13-E17 PolarHBondContact NE-OE1 3.16Å; R13-E17 IonicContact NH2-OE1 3.52Å; R13-E17 PolarHBondContact NH2-OE1 2.93Å; R13-E17 WeakPolarHBondContact O-CB 3.21Å; R13-E17 VanDerWaalsContact O-CG 3.29Å; R13-E17 WeakPolarHBondContact O-CG 3.32Å; R13-E17 PolarHBondContact O-N 2.7Å; R13-I57 HydrophobicContact CG-CG2 4.41Å; R13-N58 VanDerWaalsContact CZ-OD1 3.27Å; R13-N58 PolarHBondContact NH1-OD1 3.13Å; R13-N58 PolarHBondContact NH2-OD1 2.75Å
14Q85.7Confident86Confident167 Ų16769.1 Ų69.178%0.7833%0.328SS*.Hα-helixtrans-64.8-34.9-177.7-67.9-176.3-5.400113.1N12 K18N12-Q14 VanDerWaalsContact C-N 3.31Å; N12-Q14 PolarHBondContact O-N 3.17Å; Q14-K18 WeakPolarHBondContact O-CB 3.41Å; Q14-K18 PolarHBondContact O-N 3.37Å
15A85.8Confident86.4Confident34 Ų3463.2 Ų63.228%0.28130%0.302SS..Hα-helixtrans-72.2-42.7176.800000110.9N12 R13 K18 D19 L83 L86N12-A15 PolarHBondContact O-N 2.64Å; N12-A15 VanDerWaalsContact O-N 3.1Å; R13-A15 VanDerWaalsContact C-N 3.32Å; R13-A15 PolarHBondContact O-N 3.11Å; A15-K18 PolarHBondContact O-N 3.26Å; A15-D19 PolarHBondContact O-N 2.82Å; A15-L83 HydrophobicContact CB-CD2 4.21Å; A15-L86 HydrophobicContact CB-CD1 4.1Å
16L87.6Confident86.9Confident0 Ų063.1 Ų63.10%030%0.302CS..Hα-helixtrans-64.3-44.7178.1-62.4168.3000111.9L9 N12 R13 K18 I20 I57 L75 L83 L87L9-L16 HydrophobicContact CD2-CD1 3.72Å; N12-L16 HydrophobicContact CB-CD1 4.37Å; N12-L16 WeakPolarHBondContact O-CG 3.21Å; N12-L16 PolarHBondContact O-N 3.17Å; N12-L16 VanDerWaalsContact O-N 3.14Å; R13-L16 PolarHBondContact O-N 2.96Å; L16-K18 VanDerWaalsContact C-N 3.26Å; L16-K18 PolarHBondContact O-N 2.56Å; L16-I20 HydrophobicContact CB-CD1 3.72Å; L16-I20 HydrophobicContact CD2-CD1 3.76Å; L16-I20 HydrophobicContact CG-CD1 4.32Å; L16-I20 WeakPolarHBondContact O-CB 3.3Å; L16-I20 WeakPolarHBondContact O-CD1 3.44Å; L16-I20 WeakPolarHBondContact O-CG1 3.39Å; L16-I20 PolarHBondContact O-N 2.86Å; L16-I20 VanDerWaalsContact O-N 3.17Å; L16-I57 HydrophobicContact CB-CD1 3.57Å; L16-I57 HydrophobicContact CD1-CD1 4.5Å; L16-L75 HydrophobicContact CD2-CD1 4.35Å; L16-L83 HydrophobicContact CD2-CB 4.11Å; L16-L83 HydrophobicContact CD2-CD1 4.49Å; L16-L83 HydrophobicContact CD2-CD2 4.36Å; L16-L87 HydrophobicContact CD1-CD1 4.24Å; L16-L87 HydrophobicContact CD1-CD2 4.23Å; L16-L87 HydrophobicContact CD2-CD1 3.88Å; L16-L87 HydrophobicContact CD2-CG 4.49Å
17E90.4Very high87Confident26 Ų2662.3 Ų62.312%0.12131%0.306CS..Hα-helixtrans-62.5-33.7178.4-74.6179.3179.100112.8R13 K50 A54 I57R13-E17 HydrophobicContact CG-CG 4.21Å; R13-E17 WeakPolarHBondContact CG-OE1 3.21Å; R13-E17 IonicContact CZ-OE1 3.04Å; R13-E17 IonicContact NE-OE1 2.65Å; R13-E17 PolarHBondContact NE-OE1 3.16Å; R13-E17 IonicContact NH2-OE1 3.52Å; R13-E17 PolarHBondContact NH2-OE1 2.93Å; R13-E17 WeakPolarHBondContact O-CB 3.21Å; R13-E17 VanDerWaalsContact O-CG 3.29Å; R13-E17 WeakPolarHBondContact O-CG 3.32Å; R13-E17 PolarHBondContact O-N 2.7Å; E17-K50 HydrophobicContact CB-CG 4.18Å; E17-K50 WeakPolarHBondContact O-CA 3.48Å; E17-K50 WeakPolarHBondContact O-CG 3.28Å; E17-A54 HydrophobicContact CG-CB 3.87Å; E17-A54 WeakPolarHBondContact OE1-CB 3.33Å; E17-I57 HydrophobicContact CG-CD1 3.71Å
18K86.9Confident87.1Confident144 Ų14460.7 Ų60.763%0.62630%0.295SS*.Hα-helixtrans-73.6-44.3-176.6-167-175.5176.9-173.10112Q14 A15 L16 Q49Q14-K18 WeakPolarHBondContact O-CB 3.41Å; Q14-K18 PolarHBondContact O-N 3.37Å; A15-K18 PolarHBondContact O-N 3.26Å; L16-K18 VanDerWaalsContact C-N 3.26Å; L16-K18 PolarHBondContact O-N 2.56Å; K18-Q49 PolarHBondContact O-NE2 2.9Å
19D84.9Confident87.2Confident84 Ų8457.3 Ų57.345%0.44928%0.282SS..Hα-helixtrans-108.6-14.4-162-63-23.6000113.9A15 Y80 L83A15-D19 PolarHBondContact O-N 2.82Å; D19-Y80 WeakPolarHBondContact O-CE1 3.36Å; D19-L83 HydrophobicContact CB-CD1 3.99Å
20I90Very high87.3Confident1 Ų159.4 Ų59.41%0.00529%0.293CS..  trans-78.8124.3-177.5-68.5177.5000112.6L16 T22 I25 Q49 A53 F71 L75 L83L16-I20 HydrophobicContact CB-CD1 3.72Å; L16-I20 HydrophobicContact CD2-CD1 3.76Å; L16-I20 HydrophobicContact CG-CD1 4.32Å; L16-I20 WeakPolarHBondContact O-CB 3.3Å; L16-I20 WeakPolarHBondContact O-CD1 3.44Å; L16-I20 WeakPolarHBondContact O-CG1 3.39Å; L16-I20 PolarHBondContact O-N 2.86Å; L16-I20 VanDerWaalsContact O-N 3.17Å; I20-T22 HydrophobicContact CG2-CG2 4.25Å; I20-I25 HydrophobicContact CG2-CG1 4.1Å; I20-Q49 PolarHBondContact O-NE2 2.73Å; I20-A53 HydrophobicContact CB-CB 4.24Å; I20-F71 HydrophobicContact CD1-CE1 4.47Å; I20-F71 HydrophobicContact CD1-CE2 4.13Å; I20-F71 HydrophobicContact CD1-CZ 3.51Å; I20-L75 HydrophobicContact CD1-CD2 3.9Å; I20-L75 HydrophobicContact CG1-CD2 3.95Å; I20-L83 HydrophobicContact CG1-CD1 3.74Å
21K89.3Confident87.3Confident115 Ų11559.4 Ų59.450%0.530%0.304SS..  trans-92.2105.3164.9-68.5-178.7-1771760109.3S23 Y24 Y80K21-S23 PolarHBondContact O-N 3.34Å; K21-Y24 HydrophobicContact CB-CD2 3.73Å; K21-Y24 HydrophobicContact CB-CE2 4.06Å; K21-Y24 HydrophobicContact CD-CD2 4.33Å; K21-Y24 HydrophobicContact CD-CE2 3.89Å; K21-Y24 PolarHBondContact O-N 3.24Å; K21-Y80 WeakPolarHBondContact CB-OH 3.28Å; K21-Y80 PolarHBondContact N-OH 2.91Å
22T87.4Confident87Confident8 Ų857 Ų575%0.04929%0.292CS..Hα-helixtrans-61.8-28.8-171.755.50000113.9I20 Y24 I25 M26 V43 R52 A53 L56I20-T22 HydrophobicContact CG2-CG2 4.25Å; T22-Y24 VanDerWaalsContact C-N 3.3Å; T22-Y24 PolarHBondContact O-N 2.71Å; T22-I25 PolarHBondContact O-N 2.69Å; T22-M26 WeakPolarHBondContact O-CB 3.35Å; T22-M26 WeakPolarHBondContact O-CG 3.18Å; T22-M26 PolarHBondContact O-N 2.93Å; T22-V43 HydrophobicContact CG2-CG1 4.28Å; T22-R52 HydrophobicContact CG2-CB 4.07Å; T22-A53 VanDerWaalsContact CG2-CA 3.45Å; T22-A53 HydrophobicContact CG2-CB 4.06Å; T22-L56 HydrophobicContact CG2-CB 3.97Å; T22-L56 HydrophobicContact CG2-CD2 3.68Å; T22-L56 HydrophobicContact CG2-CG 4.49Å
23S84.5Confident86.6Confident58 Ų5864.7 Ų64.741%0.40633%0.327SS..Hα-helixtrans-56.1-41.9179.554.40000113.2K21K21-S23 PolarHBondContact O-N 3.34Å
24Y86.6Confident86.3Confident117 Ų11762.8 Ų62.846%0.45932%0.322SS..Hα-helixtrans-78.7-27.2-177.8-57-68.7000112.5K21 T22 H28K21-Y24 HydrophobicContact CB-CD2 3.73Å; K21-Y24 HydrophobicContact CB-CE2 4.06Å; K21-Y24 HydrophobicContact CD-CD2 4.33Å; K21-Y24 HydrophobicContact CD-CE2 3.89Å; K21-Y24 PolarHBondContact O-N 3.24Å; T22-Y24 VanDerWaalsContact C-N 3.3Å; T22-Y24 PolarHBondContact O-N 2.71Å; Y24-H28 PolarHBondContact O-CD2 2.95Å; Y24-H28 VanDerWaalsContact O-CD2 3.25Å
25I89.8Confident86.3Confident0 Ų055.2 Ų55.20%029%0.287CS..Hα-helixtrans-85-39-177.1-57.8-60.2000111.3I20 T22 D27 H28 M29 L56 F71 A74 L75 E78 Y80I20-I25 HydrophobicContact CG2-CG1 4.1Å; T22-I25 PolarHBondContact O-N 2.69Å; I25-D27 VanDerWaalsContact C-N 3.33Å; I25-D27 PolarHBondContact O-N 3.27Å; I25-H28 PolarHBondContact O-N 2.83Å; I25-M29 HydrophobicContact CG2-CG 4.41Å; I25-M29 HydrophobicContact CG2-SD 3.9Å; I25-M29 WeakPolarHBondContact O-CG 3.33Å; I25-M29 PolarHBondContact O-N 3.39Å; I25-L56 HydrophobicContact CG2-CD2 4.41Å; I25-F71 HydrophobicContact CG2-CD2 3.54Å; I25-F71 HydrophobicContact CG2-CE2 3.73Å; I25-A74 HydrophobicContact CD1-CB 4.16Å; I25-A74 HydrophobicContact CG2-CB 3.91Å; I25-L75 HydrophobicContact CD1-CD2 3.88Å; I25-L75 HydrophobicContact CD1-CG 4.3Å; I25-L75 HydrophobicContact CG1-CD2 4.34Å; I25-E78 HydrophobicContact CD1-CB 4.09Å; I25-E78 HydrophobicContact CD1-CG 4.01Å; I25-Y80 HydrophobicContact CD1-CD2 4.13Å; I25-Y80 HydrophobicContact CD1-CE2 4.13Å
26M89.1Confident86.4Confident1 Ų156.7 Ų56.71%0.00529%0.293CS..Hα-helixtrans-64.7-36.6-178.4-69.7-174.8-52.800111.8T22 H28 M29 I30 L35 E40 V43 K44 L56T22-M26 WeakPolarHBondContact O-CB 3.35Å; T22-M26 WeakPolarHBondContact O-CG 3.18Å; T22-M26 PolarHBondContact O-N 2.93Å; M26-H28 VanDerWaalsContact C-N 3.34Å; M26-H28 PolarHBondContact O-N 2.84Å; M26-M29 PolarHBondContact O-N 3.39Å; M26-M29 VanDerWaalsContact O-N 3.14Å; M26-I30 HydrophobicContact CB-CD1 4.5Å; M26-I30 WeakPolarHBondContact O-CB 3.26Å; M26-I30 WeakPolarHBondContact O-CD1 3.09Å; M26-I30 WeakPolarHBondContact O-CG1 3.49Å; M26-I30 PolarHBondContact O-N 3.27Å; M26-L35 HydrophobicContact CB-CD2 3.73Å; M26-L35 HydrophobicContact CG-CD2 3.53Å; M26-L35 HydrophobicContact SD-CD2 4.03Å; M26-E40 HydrophobicContact CB-CG 4.4Å; M26-E40 HydrophobicContact CE-CG 3.79Å; M26-E40 HydrophobicContact SD-CG 3.93Å; M26-V43 HydrophobicContact CE-CB 4.46Å; M26-V43 HydrophobicContact CE-CG1 4.04Å; M26-V43 HydrophobicContact SD-CB 3.76Å; M26-V43 HydrophobicContact SD-CG1 3.6Å; M26-V43 VanDerWaalsContact SD-CG1 3.6Å; M26-V43 HydrophobicContact SD-CG2 4.13Å; M26-K44 HydrophobicContact CE-CG 4.47Å; M26-L56 HydrophobicContact CG-CD1 3.88Å; M26-L56 HydrophobicContact CG-CD2 3.94Å; M26-L56 HydrophobicContact SD-CD1 4.2Å
27D85.6Confident86.2Confident96 Ų9662 Ų6251%0.51332%0.321SS..Hα-helixtrans-58.1-44.6178.1-69.6-12000112.1I25 I30 A31I25-D27 VanDerWaalsContact C-N 3.33Å; I25-D27 PolarHBondContact O-N 3.27Å; D27-I30 PolarHBondContact O-N 2.86Å; D27-A31 WeakPolarHBondContact O-CB 3.47Å; D27-A31 PolarHBondContact O-N 2.74Å
28H84.9Confident85.8Confident51 Ų5167.9 Ų67.924%0.23635%0.348CS..Hα-helixtrans-66-41.1175.4-73.5-72.4000112.1Y24 I25 M26 I30 A31 D32 A74 H77 E78Y24-H28 PolarHBondContact O-CD2 2.95Å; Y24-H28 VanDerWaalsContact O-CD2 3.25Å; I25-H28 PolarHBondContact O-N 2.83Å; M26-H28 VanDerWaalsContact C-N 3.34Å; M26-H28 PolarHBondContact O-N 2.84Å; H28-I30 VanDerWaalsContact C-N 3.34Å; H28-I30 PolarHBondContact O-N 2.95Å; H28-A31 PolarHBondContact O-N 3.3Å; H28-D32 WeakPolarHBondContact O-CB 3.43Å; H28-D32 PolarHBondContact O-N 3.46Å; H28-A74 HydrophobicContact CB-CB 3.7Å; H28-H77 AromaticContact CE1-CE1 3.67Å; H28-H77 AromaticContact CE1-CG 3.89Å; H28-H77 AromaticContact CE1-ND1 3.33Å; H28-H77 PolarHBondContact CE1-ND1 2.91Å; H28-H77 VanDerWaalsContact CE1-ND1 3.33Å; H28-H77 AromaticContact NE2-ND1 3.39Å; H28-H77 PolarHBondContact NE2-ND1 3.14Å; H28-E78 IonicContact CD2-OE1 3.41Å; H28-E78 IonicContact CE1-OE1 2.81Å; H28-E78 IonicContact NE2-OE1 3Å; H28-E78 PolarHBondContact NE2-OE1 3.07Å
29M85.9Confident85.8Confident1 Ų162.8 Ų62.81%0.00533%0.326CS..Hα-helixtrans-70.5-30179.8-67179.867.300113.1I25 M26 Q33 V34 L35 L60 F71I25-M29 HydrophobicContact CG2-CG 4.41Å; I25-M29 HydrophobicContact CG2-SD 3.9Å; I25-M29 WeakPolarHBondContact O-CG 3.33Å; I25-M29 PolarHBondContact O-N 3.39Å; M26-M29 PolarHBondContact O-N 3.39Å; M26-M29 VanDerWaalsContact O-N 3.14Å; M29-Q33 PolarHBondContact O-N 3.05Å; M29-V34 HydrophobicContact CE-CG1 3.74Å; M29-V34 WeakPolarHBondContact O-CB 3.43Å; M29-V34 PolarHBondContact O-N 2.87Å; M29-L35 HydrophobicContact CB-CB 3.9Å; M29-L35 PolarHBondContact O-N 2.79Å; M29-L35 VanDerWaalsContact O-N 3.14Å; M29-L60 HydrophobicContact CE-CD1 4.19Å; M29-L60 HydrophobicContact CE-CD2 3.35Å; M29-L60 HydrophobicContact CE-CG 3.93Å; M29-F71 HydrophobicContact CE-CB 4.22Å; M29-F71 HydrophobicContact SD-CB 4.06Å; M29-F71 HydrophobicContact SD-CD2 3.71Å; M29-F71 HydrophobicContact SD-CG 4.37Å
30I87.8Confident86Confident44 Ų4459.6 Ų59.623%0.22631%0.309CS..Hα-helixtrans-72.1-41.8172.3-66.7163.3000109.5M26 D27 H28 D32 Q33 L35 L37 E40M26-I30 HydrophobicContact CB-CD1 4.5Å; M26-I30 WeakPolarHBondContact O-CB 3.26Å; M26-I30 WeakPolarHBondContact O-CD1 3.09Å; M26-I30 WeakPolarHBondContact O-CG1 3.49Å; M26-I30 PolarHBondContact O-N 3.27Å; D27-I30 PolarHBondContact O-N 2.86Å; H28-I30 VanDerWaalsContact C-N 3.34Å; H28-I30 PolarHBondContact O-N 2.95Å; I30-D32 VanDerWaalsContact C-N 3.28Å; I30-D32 PolarHBondContact O-N 2.79Å; I30-Q33 WeakPolarHBondContact O-CA 3.3Å; I30-Q33 PolarHBondContact O-N 2.87Å; I30-L35 HydrophobicContact CG1-CB 4.03Å; I30-L35 HydrophobicContact CG1-CD2 4.22Å; I30-L35 HydrophobicContact CG1-CG 4.44Å; I30-L35 WeakPolarHBondContact CG1-O 3.34Å; I30-L37 HydrophobicContact CD1-CD2 4.46Å; I30-E40 HydrophobicContact CD1-CB 4.13Å; I30-E40 VanDerWaalsContact CD1-CD 3.5Å; I30-E40 HydrophobicContact CD1-CG 3.95Å
31A84.9Confident85.8Confident77 Ų7765.1 Ų65.164%0.63633%0.334SS*.Hα-helixtrans-60.9-37.4175.500000112.3D27 H28 Q33D27-A31 WeakPolarHBondContact O-CB 3.47Å; D27-A31 PolarHBondContact O-N 2.74Å; H28-A31 PolarHBondContact O-N 3.3Å; A31-Q33 PolarHBondContact O-N 3.33Å
32D81.4Confident85.6Confident90 Ų9065 Ų6548%0.48133%0.334SS..THydrogen-bonded Turntrans-75.53.2173.2-72.7-15.6000113.6H28 I30 V34 S70H28-D32 WeakPolarHBondContact O-CB 3.43Å; H28-D32 PolarHBondContact O-N 3.46Å; I30-D32 VanDerWaalsContact C-N 3.28Å; I30-D32 PolarHBondContact O-N 2.79Å; D32-V34 HydrophobicContact CB-CG2 4.13Å; D32-V34 PolarHBondContact O-N 2.89Å; D32-S70 WeakPolarHBondContact CB-OG 3.42Å; D32-S70 VanDerWaalsContact OD2-CB 3.29Å; D32-S70 WeakPolarHBondContact OD2-CB 3.33Å; D32-S70 PolarHBondContact OD2-OG 2.81Å
33Q80.4Confident85.6Confident183 Ų18364.7 Ų64.786%0.85533%0.332SS*.THydrogen-bonded Turntrans58.923-177-56.4-177.3-6.700114.7M29 I30 A31M29-Q33 PolarHBondContact O-N 3.05Å; I30-Q33 WeakPolarHBondContact O-CA 3.3Å; I30-Q33 PolarHBondContact O-N 2.87Å; A31-Q33 PolarHBondContact O-N 3.33Å
34V83.5Confident85.7Confident22 Ų2267 Ų6713%0.13334%0.335CS..  trans-88.9-37.8-178161.90000112M29 D32 S67M29-V34 HydrophobicContact CE-CG1 3.74Å; M29-V34 WeakPolarHBondContact O-CB 3.43Å; M29-V34 PolarHBondContact O-N 2.87Å; D32-V34 HydrophobicContact CB-CG2 4.13Å; D32-V34 PolarHBondContact O-N 2.89Å; V34-S67 VanDerWaalsContact CG1-CB 3.47Å; V34-S67 WeakPolarHBondContact CG1-OG 3.44Å
35L86.6Confident85.8Confident7 Ų768 Ų684%0.03734%0.344CS..SBendtrans-110.6133.9-177.7-16775.1000110M26 M29 I30 E39 L56 I59M26-L35 HydrophobicContact CB-CD2 3.73Å; M26-L35 HydrophobicContact CG-CD2 3.53Å; M26-L35 HydrophobicContact SD-CD2 4.03Å; M29-L35 HydrophobicContact CB-CB 3.9Å; M29-L35 PolarHBondContact O-N 2.79Å; M29-L35 VanDerWaalsContact O-N 3.14Å; I30-L35 HydrophobicContact CG1-CB 4.03Å; I30-L35 HydrophobicContact CG1-CD2 4.22Å; I30-L35 HydrophobicContact CG1-CG 4.44Å; I30-L35 WeakPolarHBondContact CG1-O 3.34Å; L35-E39 HydrophobicContact CD1-CB 3.92Å; L35-E39 HydrophobicContact CG-CB 4.31Å; L35-L56 HydrophobicContact CD1-CD1 4.13Å; L35-L56 HydrophobicContact CD2-CD1 4.06Å; L35-I59 HydrophobicContact CD1-CG2 3.93Å
36T86.7Confident85.8Confident66 Ų6671.1 Ų71.141%0.40536%0.358SS..  trans-89157.2178.663.70000112Q38 E39 E40T36-Q38 VanDerWaalsContact C-N 3.28Å; T36-Q38 PolarHBondContact O-N 2.87Å; T36-E39 PolarHBondContact N-OE2 3.09Å; T36-E39 WeakPolarHBondContact O-CB 3.43Å; T36-E39 PolarHBondContact O-N 2.94Å; T36-E39 VanDerWaalsContact O-N 3.16Å; T36-E39 WeakPolarHBondContact OG1-CB 2.99Å; T36-E39 WeakPolarHBondContact OG1-CG 3.42Å; T36-E39 PolarHBondContact OG1-N 2.88Å; T36-E39 PolarHBondContact OG1-OE2 3.45Å; T36-E40 PolarHBondContact O-N 2.93Å
37L83.2Confident85.5Confident112 Ų11278 Ų7859%0.58640%0.395SS*.Hα-helixtrans-61.8-34177.9-67.4171.6000112.8I30 E40 E41I30-L37 HydrophobicContact CD1-CD2 4.46Å; L37-E40 WeakPolarHBondContact O-CB 3.5Å; L37-E40 PolarHBondContact O-N 3.31Å; L37-E41 WeakPolarHBondContact O-CG 3.43Å; L37-E41 PolarHBondContact O-N 3.36Å
38Q82.3Confident85.7Confident149 Ų14976.5 Ų76.570%0.69639%0.389SS*.Hα-helixtrans-67.6-37.6175.5-68-178.2-7.100112.3T36 E40 E41 K42T36-Q38 VanDerWaalsContact C-N 3.28Å; T36-Q38 PolarHBondContact O-N 2.87Å; Q38-E40 VanDerWaalsContact C-N 3.35Å; Q38-E41 PolarHBondContact O-N 3.18Å; Q38-K42 WeakPolarHBondContact O-CG 3.43Å; Q38-K42 PolarHBondContact O-N 2.8Å
39E87.1Confident85.8Confident37 Ų3777.7 Ų77.717%0.17340%0.395CS..Hα-helixtrans-68-38175-73.8165.8150.900111.2L35 T36 K42 V43 I59 K63L35-E39 HydrophobicContact CD1-CB 3.92Å; L35-E39 HydrophobicContact CG-CB 4.31Å; T36-E39 PolarHBondContact N-OE2 3.09Å; T36-E39 WeakPolarHBondContact O-CB 3.43Å; T36-E39 PolarHBondContact O-N 2.94Å; T36-E39 VanDerWaalsContact O-N 3.16Å; T36-E39 WeakPolarHBondContact OG1-CB 2.99Å; T36-E39 WeakPolarHBondContact OG1-CG 3.42Å; T36-E39 PolarHBondContact OG1-N 2.88Å; T36-E39 PolarHBondContact OG1-OE2 3.45Å; E39-K42 PolarHBondContact O-N 3.22Å; E39-V43 WeakPolarHBondContact O-CG2 3.21Å; E39-V43 PolarHBondContact O-N 3.15Å; E39-I59 HydrophobicContact CB-CD1 4.23Å; E39-I59 HydrophobicContact CB-CG2 4.49Å; E39-I59 HydrophobicContact CG-CG2 4.32Å; E39-K63 WeakPolarHBondContact OE1-CE 2.92Å; E39-K63 IonicContact OE1-NZ 2.74Å; E39-K63 PolarHBondContact OE1-NZ 3.27Å; E39-K63 IonicContact OE2-NZ 2.67Å; E39-K63 PolarHBondContact OE2-NZ 3.23Å
40E88.4Confident85.9Confident17 Ų1783 Ų838%0.07942%0.418CS..Hα-helixtrans-61.5-44172.8-165-160.4-179.200111.8M26 I30 T36 L37 Q38 V43 K44M26-E40 HydrophobicContact CB-CG 4.4Å; M26-E40 HydrophobicContact CE-CG 3.79Å; M26-E40 HydrophobicContact SD-CG 3.93Å; I30-E40 HydrophobicContact CD1-CB 4.13Å; I30-E40 VanDerWaalsContact CD1-CD 3.5Å; I30-E40 HydrophobicContact CD1-CG 3.95Å; T36-E40 PolarHBondContact O-N 2.93Å; L37-E40 WeakPolarHBondContact O-CB 3.5Å; L37-E40 PolarHBondContact O-N 3.31Å; Q38-E40 VanDerWaalsContact C-N 3.35Å; E40-V43 PolarHBondContact O-N 2.88Å; E40-K44 HydrophobicContact CG-CD 4.4Å; E40-K44 WeakPolarHBondContact O-CB 3.35Å; E40-K44 WeakPolarHBondContact O-CG 3.43Å; E40-K44 PolarHBondContact O-N 3.39Å; E40-K44 WeakPolarHBondContact OE1-CE 3.35Å; E40-K44 IonicContact OE1-NZ 3.97Å; E40-K44 PolarHBondContact OE1-NZ 2.76Å; E40-K44 IonicContact OE2-NZ 2.74Å; E40-K44 PolarHBondContact OE2-NZ 3.07Å
41E86.4Confident85.9Confident116 Ų11685.1 Ų85.154%0.54243%0.427SS..Hα-helixtrans-60.8-44.3174.9-76.2178.8175.600111.8L37 Q38 V43 K44 Q45L37-E41 WeakPolarHBondContact O-CG 3.43Å; L37-E41 PolarHBondContact O-N 3.36Å; Q38-E41 PolarHBondContact O-N 3.18Å; E41-V43 VanDerWaalsContact C-N 3.27Å; E41-V43 PolarHBondContact O-N 3.2Å; E41-K44 PolarHBondContact O-N 3Å; E41-K44 VanDerWaalsContact O-N 3.14Å; E41-Q45 VanDerWaalsContact O-CG 3.28Å; E41-Q45 WeakPolarHBondContact O-CG 3.24Å; E41-Q45 PolarHBondContact O-N 3.4Å
42K85.4Confident86.1Confident114 Ų11485.7 Ų85.750%0.49641%0.413SS..Hα-helixtrans-59.1-37.4174.6-77.5-179.3179.7178.10112.6Q38 E39 M55Q38-K42 WeakPolarHBondContact O-CG 3.43Å; Q38-K42 PolarHBondContact O-N 2.8Å; E39-K42 PolarHBondContact O-N 3.22Å; K42-M55 HydrophobicContact CB-CE 4.28Å
43V87.3Confident86.4Confident0 Ų081.4 Ų81.40%039%0.39CS..Hα-helixtrans-69.8-46.8173.9174.80000110.1T22 M26 E39 E40 E41 Q45 Q46 R52 M55 L56 I59T22-V43 HydrophobicContact CG2-CG1 4.28Å; M26-V43 HydrophobicContact CE-CB 4.46Å; M26-V43 HydrophobicContact CE-CG1 4.04Å; M26-V43 HydrophobicContact SD-CB 3.76Å; M26-V43 HydrophobicContact SD-CG1 3.6Å; M26-V43 VanDerWaalsContact SD-CG1 3.6Å; M26-V43 HydrophobicContact SD-CG2 4.13Å; E39-V43 WeakPolarHBondContact O-CG2 3.21Å; E39-V43 PolarHBondContact O-N 3.15Å; E40-V43 PolarHBondContact O-N 2.88Å; E41-V43 VanDerWaalsContact C-N 3.27Å; E41-V43 PolarHBondContact O-N 3.2Å; V43-Q45 VanDerWaalsContact C-N 3.29Å; V43-Q45 PolarHBondContact O-N 2.96Å; V43-Q46 WeakPolarHBondContact O-CB 3.25Å; V43-Q46 PolarHBondContact O-N 2.94Å; V43-Q46 VanDerWaalsContact O-N 3.15Å; V43-R52 HydrophobicContact CG1-CB 3.92Å; V43-R52 HydrophobicContact CG1-CG 4.41Å; V43-R52 WeakPolarHBondContact CG1-O 3.46Å; V43-R52 WeakPolarHBondContact O-CG 3.41Å; V43-M55 HydrophobicContact CG2-CB 4.29Å; V43-M55 HydrophobicContact CG2-CG 4.01Å; V43-L56 HydrophobicContact CG1-CB 4.44Å; V43-L56 HydrophobicContact CG2-CB 4.2Å; V43-L56 HydrophobicContact CG2-CD1 4.49Å; V43-I59 HydrophobicContact CG2-CD1 3.57Å
44K86.9Confident86.8Confident106 Ų10673.5 Ų73.546%0.46136%0.356SS..Hα-helixtrans-62.3-30.9-179.4-76.6177.3-179.9165.80113.8M26 E40 E41 Q46 R52M26-K44 HydrophobicContact CE-CG 4.47Å; E40-K44 HydrophobicContact CG-CD 4.4Å; E40-K44 WeakPolarHBondContact O-CB 3.35Å; E40-K44 WeakPolarHBondContact O-CG 3.43Å; E40-K44 PolarHBondContact O-N 3.39Å; E40-K44 WeakPolarHBondContact OE1-CE 3.35Å; E40-K44 IonicContact OE1-NZ 3.97Å; E40-K44 PolarHBondContact OE1-NZ 2.76Å; E40-K44 IonicContact OE2-NZ 2.74Å; E40-K44 PolarHBondContact OE2-NZ 3.07Å; E41-K44 PolarHBondContact O-N 3Å; E41-K44 VanDerWaalsContact O-N 3.14Å; K44-Q46 PolarHBondContact O-N 3.43Å; K44-R52 PolarHBondContact O-NH2 3.21Å
45Q88Confident87Confident139 Ų13975 Ų7565%0.6536%0.362SS*.THydrogen-bonded Turntrans-61.9-19.1175.8-77.7172.68.500113.7E41 V43E41-Q45 VanDerWaalsContact O-CG 3.28Å; E41-Q45 WeakPolarHBondContact O-CG 3.24Å; E41-Q45 PolarHBondContact O-N 3.4Å; V43-Q45 VanDerWaalsContact C-N 3.29Å; V43-Q45 PolarHBondContact O-N 2.96Å
46Q89.1Confident87.2Confident65 Ų6574.7 Ų74.730%0.30436%0.36SS..SBendtrans-73.4144.8176.5-55.1-56.2-43.700111.4V43 K44 E51 R52 M55V43-Q46 WeakPolarHBondContact O-CB 3.25Å; V43-Q46 PolarHBondContact O-N 2.94Å; V43-Q46 VanDerWaalsContact O-N 3.15Å; K44-Q46 PolarHBondContact O-N 3.43Å; Q46-E51 HydrophobicContact CB-CB 3.98Å; Q46-R52 HydrophobicContact CB-CG 3.78Å; Q46-R52 PolarHBondContact O-NE 3.21Å; Q46-R52 PolarHBondContact O-NH2 2.86Å; Q46-M55 HydrophobicContact CG-CB 4.13Å; Q46-M55 HydrophobicContact CG-CG 4.37Å
47N84.4Confident87.3Confident146 Ų14671.6 Ų71.678%0.78134%0.341SS*.SBendtrans-82.2-37.3-168.9-69.7-32.2000113
48T88.8Confident87.5Confident64 Ų6469.7 Ų69.739%0.39333%0.332SS..SBendtrans-107150.7-177.968.80000112.5K50 E51 R52T48-K50 PolarHBondContact O-N 3.18Å; T48-E51 PolarHBondContact N-OE2 2.95Å; T48-E51 VanDerWaalsContact N-OE2 3.11Å; T48-E51 PolarHBondContact O-N 3.17Å; T48-E51 WeakPolarHBondContact OG1-CB 3.42Å; T48-E51 WeakPolarHBondContact OG1-CG 3.49Å; T48-E51 PolarHBondContact OG1-N 3.27Å; T48-E51 PolarHBondContact OG1-OE2 2.94Å; T48-R52 VanDerWaalsContact O-CG 3.28Å; T48-R52 WeakPolarHBondContact O-CG 3.37Å; T48-R52 PolarHBondContact O-N 3.42Å
49Q87.9Confident87.6Confident76 Ų7663.3 Ų63.336%0.35530%0.302SS..Hα-helixtrans-60.5-33.4177.7164.5-87.8-15.900112.4K18 I20 R52 A53K18-Q49 PolarHBondContact O-NE2 2.9Å; I20-Q49 PolarHBondContact O-NE2 2.73Å; Q49-R52 WeakPolarHBondContact O-CB 3.39Å; Q49-R52 PolarHBondContact O-N 3.4Å; Q49-A53 WeakPolarHBondContact O-CB 3.43Å; Q49-A53 PolarHBondContact O-N 2.94Å
50K87.8Confident87.5Confident114 Ų11461.7 Ų61.750%0.49630%0.295SS..Hα-helixtrans-67-43.7175.7-172.4178.1-179.8-172.90112.4E17 T48 R52 A53 A54E17-K50 HydrophobicContact CB-CG 4.18Å; E17-K50 WeakPolarHBondContact O-CA 3.48Å; E17-K50 WeakPolarHBondContact O-CG 3.28Å; T48-K50 PolarHBondContact O-N 3.18Å; K50-R52 VanDerWaalsContact C-N 3.33Å; K50-A53 PolarHBondContact O-N 2.97Å; K50-A54 WeakPolarHBondContact O-CB 3.37Å; K50-A54 PolarHBondContact O-N 3.04Å
51E86.3Confident87.4Confident88 Ų8861.4 Ų61.441%0.41129%0.294SS..Hα-helixtrans-66.1-36.8175.2-72159.7169.400111.7Q46 T48 A54 M55Q46-E51 HydrophobicContact CB-CB 3.98Å; T48-E51 PolarHBondContact N-OE2 2.95Å; T48-E51 VanDerWaalsContact N-OE2 3.11Å; T48-E51 PolarHBondContact O-N 3.17Å; T48-E51 WeakPolarHBondContact OG1-CB 3.42Å; T48-E51 WeakPolarHBondContact OG1-CG 3.49Å; T48-E51 PolarHBondContact OG1-N 3.27Å; T48-E51 PolarHBondContact OG1-OE2 2.94Å; E51-A54 PolarHBondContact O-N 2.81Å; E51-M55 VanDerWaalsContact O-CB 3.29Å; E51-M55 WeakPolarHBondContact O-CB 3.34Å; E51-M55 PolarHBondContact O-N 3.36Å
52R89.4Confident87Confident89 Ų8961.1 Ų61.134%0.33630%0.3SS..Hα-helixtrans-59.5-48.8171.9-67.9179.3-178.5173.53.7111.1T22 V43 K44 Q46 T48 Q49 K50 M55 L56T22-R52 HydrophobicContact CG2-CB 4.07Å; V43-R52 HydrophobicContact CG1-CB 3.92Å; V43-R52 HydrophobicContact CG1-CG 4.41Å; V43-R52 WeakPolarHBondContact CG1-O 3.46Å; V43-R52 WeakPolarHBondContact O-CG 3.41Å; K44-R52 PolarHBondContact O-NH2 3.21Å; Q46-R52 HydrophobicContact CB-CG 3.78Å; Q46-R52 PolarHBondContact O-NE 3.21Å; Q46-R52 PolarHBondContact O-NH2 2.86Å; T48-R52 VanDerWaalsContact O-CG 3.28Å; T48-R52 WeakPolarHBondContact O-CG 3.37Å; T48-R52 PolarHBondContact O-N 3.42Å; Q49-R52 WeakPolarHBondContact O-CB 3.39Å; Q49-R52 PolarHBondContact O-N 3.4Å; K50-R52 VanDerWaalsContact C-N 3.33Å; R52-M55 PolarHBondContact O-N 2.95Å; R52-L56 WeakPolarHBondContact O-CB 3.14Å; R52-L56 PolarHBondContact O-N 2.79Å
53A88.5Confident87Confident0 Ų058 Ų580%029%0.287CS..Hα-helixtrans-63.5-42.5177.900000111.9I20 T22 Q49 K50 M55 L56 I57I20-A53 HydrophobicContact CB-CB 4.24Å; T22-A53 VanDerWaalsContact CG2-CA 3.45Å; T22-A53 HydrophobicContact CG2-CB 4.06Å; Q49-A53 WeakPolarHBondContact O-CB 3.43Å; Q49-A53 PolarHBondContact O-N 2.94Å; K50-A53 PolarHBondContact O-N 2.97Å; A53-M55 VanDerWaalsContact C-N 3.35Å; A53-M55 PolarHBondContact O-N 2.9Å; A53-L56 PolarHBondContact O-N 2.93Å; A53-I57 WeakPolarHBondContact O-CD1 3.23Å; A53-I57 WeakPolarHBondContact O-CG1 3.46Å; A53-I57 PolarHBondContact O-N 3.23Å
54A88.3Confident86.7Confident17 Ų1761.5 Ų61.514%0.1431%0.305CS..Hα-helixtrans-61.6-41.6175.400000112.3E17 K50 E51 I57 N58E17-A54 HydrophobicContact CG-CB 3.87Å; E17-A54 WeakPolarHBondContact OE1-CB 3.33Å; K50-A54 WeakPolarHBondContact O-CB 3.37Å; K50-A54 PolarHBondContact O-N 3.04Å; E51-A54 PolarHBondContact O-N 2.81Å; A54-I57 PolarHBondContact O-N 3.37Å; A54-N58 WeakPolarHBondContact O-CB 3.47Å; A54-N58 PolarHBondContact O-N 3.08Å; A54-N58 PolarHBondContact O-ND2 3.28Å
55M88Confident86.5Confident53 Ų5358.2 Ų58.226%0.26129%0.293SS..Hα-helixtrans-66.4-43.1176.8-170.860.6-179.700111.6K42 V43 Q46 E51 R52 A53 I57 N58 I59K42-M55 HydrophobicContact CB-CE 4.28Å; V43-M55 HydrophobicContact CG2-CB 4.29Å; V43-M55 HydrophobicContact CG2-CG 4.01Å; Q46-M55 HydrophobicContact CG-CB 4.13Å; Q46-M55 HydrophobicContact CG-CG 4.37Å; E51-M55 VanDerWaalsContact O-CB 3.29Å; E51-M55 WeakPolarHBondContact O-CB 3.34Å; E51-M55 PolarHBondContact O-N 3.36Å; R52-M55 PolarHBondContact O-N 2.95Å; A53-M55 VanDerWaalsContact C-N 3.35Å; A53-M55 PolarHBondContact O-N 2.9Å; M55-I57 VanDerWaalsContact C-N 3.34Å; M55-I57 PolarHBondContact O-N 2.96Å; M55-N58 WeakPolarHBondContact O-CB 3.38Å; M55-N58 PolarHBondContact O-N 3.37Å; M55-I59 HydrophobicContact CE-CD1 4.39Å; M55-I59 HydrophobicContact CG-CD1 4.27Å; M55-I59 WeakPolarHBondContact O-CG1 3.5Å; M55-I59 PolarHBondContact O-N 2.92Å
56L90.6Very high86.2Confident1 Ų155.7 Ų55.71%0.00528%0.284CS..Hα-helixtrans-61.5-41.8174.7-178.663.1000111.7T22 I25 M26 L35 V43 R52 A53 I59 L60 F71T22-L56 HydrophobicContact CG2-CB 3.97Å; T22-L56 HydrophobicContact CG2-CD2 3.68Å; T22-L56 HydrophobicContact CG2-CG 4.49Å; I25-L56 HydrophobicContact CG2-CD2 4.41Å; M26-L56 HydrophobicContact CG-CD1 3.88Å; M26-L56 HydrophobicContact CG-CD2 3.94Å; M26-L56 HydrophobicContact SD-CD1 4.2Å; L35-L56 HydrophobicContact CD1-CD1 4.13Å; L35-L56 HydrophobicContact CD2-CD1 4.06Å; V43-L56 HydrophobicContact CG1-CB 4.44Å; V43-L56 HydrophobicContact CG2-CB 4.2Å; V43-L56 HydrophobicContact CG2-CD1 4.49Å; R52-L56 WeakPolarHBondContact O-CB 3.14Å; R52-L56 PolarHBondContact O-N 2.79Å; A53-L56 PolarHBondContact O-N 2.93Å; L56-I59 PolarHBondContact O-N 3.1Å; L56-L60 HydrophobicContact CG-CD1 4.35Å; L56-L60 WeakPolarHBondContact O-CB 3.28Å; L56-L60 PolarHBondContact O-N 3.33Å; L56-F71 HydrophobicContact CD2-CE2 4.27Å
57I89.1Confident86Confident1 Ų152.8 Ų52.81%0.00527%0.271CS..Hα-helixtrans-66.8-38.7176.7-66.3160.6000111.1R13 L16 E17 A53 A54 M55 I59 L60 L61R13-I57 HydrophobicContact CG-CG2 4.41Å; L16-I57 HydrophobicContact CB-CD1 3.57Å; L16-I57 HydrophobicContact CD1-CD1 4.5Å; E17-I57 HydrophobicContact CG-CD1 3.71Å; A53-I57 WeakPolarHBondContact O-CD1 3.23Å; A53-I57 WeakPolarHBondContact O-CG1 3.46Å; A53-I57 PolarHBondContact O-N 3.23Å; A54-I57 PolarHBondContact O-N 3.37Å; M55-I57 VanDerWaalsContact C-N 3.34Å; M55-I57 PolarHBondContact O-N 2.96Å; I57-I59 VanDerWaalsContact C-N 3.34Å; I57-I59 PolarHBondContact O-N 3.34Å; I57-L60 WeakPolarHBondContact O-CB 3.45Å; I57-L60 PolarHBondContact O-N 3.05Å; I57-L61 HydrophobicContact CG2-CD1 4.28Å; I57-L61 HydrophobicContact CG2-CG 4.46Å; I57-L61 VanDerWaalsContact O-CG 3.3Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 2.6Å
58N86.4Confident86.1Confident71 Ų7145.9 Ų45.938%0.3823%0.234SC..Hα-helixtrans-60.9-43.1173.9-79.9-22.1000111.9R13 A54 M55 L60 L61R13-N58 VanDerWaalsContact CZ-OD1 3.27Å; R13-N58 PolarHBondContact NH1-OD1 3.13Å; R13-N58 PolarHBondContact NH2-OD1 2.75Å; A54-N58 WeakPolarHBondContact O-CB 3.47Å; A54-N58 PolarHBondContact O-N 3.08Å; A54-N58 PolarHBondContact O-ND2 3.28Å; M55-N58 WeakPolarHBondContact O-CB 3.38Å; M55-N58 PolarHBondContact O-N 3.37Å; N58-L60 VanDerWaalsContact C-N 3.35Å; N58-L61 PolarHBondContact O-N 3.46Å
59I86.3Confident85.9Confident16 Ų1648.4 Ų48.48%0.08224%0.236CC..Hα-helixtrans-64.5-42.5174.8-67161.2000110.1L35 E39 V43 M55 L56 I57 L61 T62 K63L35-I59 HydrophobicContact CD1-CG2 3.93Å; E39-I59 HydrophobicContact CB-CD1 4.23Å; E39-I59 HydrophobicContact CB-CG2 4.49Å; E39-I59 HydrophobicContact CG-CG2 4.32Å; V43-I59 HydrophobicContact CG2-CD1 3.57Å; M55-I59 HydrophobicContact CE-CD1 4.39Å; M55-I59 HydrophobicContact CG-CD1 4.27Å; M55-I59 WeakPolarHBondContact O-CG1 3.5Å; M55-I59 PolarHBondContact O-N 2.92Å; L56-I59 PolarHBondContact O-N 3.1Å; I57-I59 VanDerWaalsContact C-N 3.34Å; I57-I59 PolarHBondContact O-N 3.34Å; I59-L61 VanDerWaalsContact C-N 3.34Å; I59-L61 PolarHBondContact O-N 3.49Å; I59-T62 PolarHBondContact O-N 3.15Å; I59-T62 PolarHBondContact O-OG1 3.15Å; I59-K63 WeakPolarHBondContact O-CG 3.49Å
60L85.1Confident85.9Confident2 Ų245 Ų451%0.0122%0.22CC..Hα-helixtrans-60.2-42.6176.9-87.1166.5000112.6M1 M29 L56 I57 N58 T62 K63 F71M1-L60 WeakPolarHBondContact CE-O 3.48Å; M29-L60 HydrophobicContact CE-CD1 4.19Å; M29-L60 HydrophobicContact CE-CD2 3.35Å; M29-L60 HydrophobicContact CE-CG 3.93Å; L56-L60 HydrophobicContact CG-CD1 4.35Å; L56-L60 WeakPolarHBondContact O-CB 3.28Å; L56-L60 PolarHBondContact O-N 3.33Å; I57-L60 WeakPolarHBondContact O-CB 3.45Å; I57-L60 PolarHBondContact O-N 3.05Å; N58-L60 VanDerWaalsContact C-N 3.35Å; L60-T62 PolarHBondContact O-N 3.42Å; L60-T62 VanDerWaalsContact O-N 3.11Å; L60-K63 WeakPolarHBondContact O-CB 3.43Å; L60-K63 PolarHBondContact O-N 2.74Å; L60-F71 HydrophobicContact CD1-CB 3.96Å; L60-F71 HydrophobicContact CD1-CD1 3.77Å; L60-F71 HydrophobicContact CD1-CD2 3.35Å; L60-F71 HydrophobicContact CD1-CE1 3.98Å; L60-F71 HydrophobicContact CD1-CE2 3.57Å; L60-F71 HydrophobicContact CD1-CG 3.42Å; L60-F71 VanDerWaalsContact CD1-CG 3.42Å; L60-F71 HydrophobicContact CD1-CZ 3.85Å; L60-F71 HydrophobicContact CD2-CB 4.08Å; L60-F71 HydrophobicContact CD2-CG 4.46Å
61L84.6Confident86.1Confident11 Ų1139.6 Ų39.66%0.05820%0.197CC..Hα-helixtrans-60.1-23.1-178.8-74.7167.7000113.8R6 L9 L10 I57 N58 I59R6-L61 HydrophobicContact CG-CD2 3.62Å; R6-L61 PolarHBondContact NH1-O 2.9Å; L9-L61 HydrophobicContact CB-CD2 3.99Å; L9-L61 HydrophobicContact CD1-CD2 4.37Å; L10-L61 HydrophobicContact CD2-CD1 3.68Å; L10-L61 HydrophobicContact CD2-CD2 4.09Å; L10-L61 HydrophobicContact CG-CD1 4.46Å; L10-L61 HydrophobicContact CG-CD2 3.96Å; I57-L61 HydrophobicContact CG2-CD1 4.28Å; I57-L61 HydrophobicContact CG2-CG 4.46Å; I57-L61 VanDerWaalsContact O-CG 3.3Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 2.6Å; N58-L61 PolarHBondContact O-N 3.46Å; I59-L61 VanDerWaalsContact C-N 3.34Å; I59-L61 PolarHBondContact O-N 3.49Å
62T79Confident86.3Confident111 Ų11136.6 Ų36.668%0.68118%0.182SC*.THydrogen-bonded Turntrans-88.1-8.5175.7630000113.1I59 L60I59-T62 PolarHBondContact O-N 3.15Å; I59-T62 PolarHBondContact O-OG1 3.15Å; L60-T62 PolarHBondContact O-N 3.42Å; L60-T62 VanDerWaalsContact O-N 3.11Å
63K84.4Confident86.2Confident48 Ų4835.9 Ų35.921%0.20919%0.185CC..SBendtrans-97.3177.6-173-61.2-89.1-177.91710113.5M1 E39 I59 L60 S67M1-K63 PolarHBondContact N-O 3.39Å; E39-K63 WeakPolarHBondContact OE1-CE 2.92Å; E39-K63 IonicContact OE1-NZ 2.74Å; E39-K63 PolarHBondContact OE1-NZ 3.27Å; E39-K63 IonicContact OE2-NZ 2.67Å; E39-K63 PolarHBondContact OE2-NZ 3.23Å; I59-K63 WeakPolarHBondContact O-CG 3.49Å; L60-K63 WeakPolarHBondContact O-CB 3.43Å; L60-K63 PolarHBondContact O-N 2.74Å; K63-S67 VanDerWaalsContact CB-OG 3.32Å; K63-S67 WeakPolarHBondContact CB-OG 3.25Å
64D82.4Confident86.3Confident74 Ų7436 Ų3640%0.39619%0.186SC..  trans-83.8-176.8-170.978.9-14.9000113.9N66 S67 Y68D64-N66 VanDerWaalsContact C-N 3.34Å; D64-N66 PolarHBondContact OD1-N 3.49Å; D64-N66 PolarHBondContact OD2-ND2 2.85Å; D64-S67 WeakPolarHBondContact O-CB 3.46Å; D64-S67 PolarHBondContact O-N 3.44Å; D64-S67 WeakPolarHBondContact OD1-CB 3.3Å; D64-S67 PolarHBondContact OD1-N 3.48Å; D64-S67 PolarHBondContact OD1-OG 2.63Å; D64-Y68 PolarHBondContact O-N 3.28Å
65N82.5Confident86.4Confident37 Ų3735.2 Ų35.220%0.19818%0.179CC..Hα-helixtrans-69-31-179.9-76.5-13.5000113.1M1 D2 S67 Y68 R69 P92M1-N65 VanDerWaalsContact C-OD1 3.27Å; M1-N65 WeakPolarHBondContact CA-OD1 3.12Å; M1-N65 WeakPolarHBondContact CB-OD1 3.28Å; D2-N65 PolarHBondContact N-OD1 3Å; D2-N65 PolarHBondContact OD1-ND2 2.56Å; D2-N65 PolarHBondContact OD2-ND2 3.29Å; N65-S67 VanDerWaalsContact C-N 3.27Å; N65-S67 PolarHBondContact O-N 2.61Å; N65-Y68 PolarHBondContact O-N 3.38Å; N65-R69 PolarHBondContact O-N 2.95Å; N65-P92 HydrophobicContact CB-CB 3.9Å; N65-P92 HydrophobicContact CB-CG 3.61Å
66N81.6Confident86.4Confident86 Ų8636.9 Ų36.946%0.4619%0.189SC..Hα-helixtrans-66-36.3175.3-68.7-29.3000110.7D64 Y68 R69 S70 I94D64-N66 VanDerWaalsContact C-N 3.34Å; D64-N66 PolarHBondContact OD1-N 3.49Å; D64-N66 PolarHBondContact OD2-ND2 2.85Å; N66-Y68 PolarHBondContact O-N 3.23Å; N66-R69 PolarHBondContact O-N 3.29Å; N66-R69 VanDerWaalsContact O-N 3.16Å; N66-S70 WeakPolarHBondContact O-CB 3.46Å; N66-S70 PolarHBondContact O-N 3.19Å; N66-I94 WeakPolarHBondContact OD1-CD1 3.41Å
67S84.2Confident86.2Confident4 Ų443.4 Ų43.43%0.02822%0.219CC..Hα-helixtrans-63.1-42.7178.2-53.20000112.7V34 K63 D64 N65 R69 S70 F71V34-S67 VanDerWaalsContact CG1-CB 3.47Å; V34-S67 WeakPolarHBondContact CG1-OG 3.44Å; K63-S67 VanDerWaalsContact CB-OG 3.32Å; K63-S67 WeakPolarHBondContact CB-OG 3.25Å; D64-S67 WeakPolarHBondContact O-CB 3.46Å; D64-S67 PolarHBondContact O-N 3.44Å; D64-S67 WeakPolarHBondContact OD1-CB 3.3Å; D64-S67 PolarHBondContact OD1-N 3.48Å; D64-S67 PolarHBondContact OD1-OG 2.63Å; N65-S67 VanDerWaalsContact C-N 3.27Å; N65-S67 PolarHBondContact O-N 2.61Å; S67-R69 VanDerWaalsContact C-N 3.31Å; S67-R69 PolarHBondContact O-N 2.84Å; S67-S70 PolarHBondContact O-N 2.78Å; S67-F71 VanDerWaalsContact O-CB 3.32Å; S67-F71 WeakPolarHBondContact O-CB 3.37Å; S67-F71 PolarHBondContact O-N 3.18Å
68Y86.9Confident86.1Confident1 Ų146.7 Ų46.70%0.00423%0.234CC..Hα-helixtrans-60.6-41.8173.8-172.2-80.7000111.6M1 S5 L9 D64 N65 N66 Y72 L87 G90 I91M1-Y68 HydrophobicContact SD-CD2 4.21Å; S5-Y68 WeakPolarHBondContact O-CE2 3.49Å; L9-Y68 HydrophobicContact CB-CE2 4.48Å; L9-Y68 HydrophobicContact CD1-CD2 3.5Å; L9-Y68 HydrophobicContact CD1-CE2 3.71Å; L9-Y68 HydrophobicContact CD2-CE2 4.5Å; L9-Y68 HydrophobicContact CG-CD2 3.92Å; L9-Y68 HydrophobicContact CG-CE2 3.56Å; D64-Y68 PolarHBondContact O-N 3.28Å; N65-Y68 PolarHBondContact O-N 3.38Å; N66-Y68 PolarHBondContact O-N 3.23Å; Y68-Y72 WeakPolarHBondContact O-CB 3.41Å; Y68-Y72 PolarHBondContact O-N 2.85Å; Y68-L87 WeakPolarHBondContact OH-CD2 3.22Å; Y68-L87 PolarHBondContact OH-O 2.87Å; Y68-L87 VanDerWaalsContact OH-O 3.12Å; Y68-G90 WeakPolarHBondContact CE1-O 3.29Å; Y68-I91 HydrophobicContact CE1-CG1 4.41Å
69R84.3Confident86Confident117 Ų11745.6 Ų45.644%0.44224%0.24SC..Hα-helixtrans-70.9-42.2-179.8-171.7177-179.5174-1.3112.3N65 N66 S67 F71 Y72 N73N65-R69 PolarHBondContact O-N 2.95Å; N66-R69 PolarHBondContact O-N 3.29Å; N66-R69 VanDerWaalsContact O-N 3.16Å; S67-R69 VanDerWaalsContact C-N 3.31Å; S67-R69 PolarHBondContact O-N 2.84Å; R69-F71 VanDerWaalsContact C-N 3.34Å; R69-Y72 PolarHBondContact O-N 3.39Å; R69-N73 WeakPolarHBondContact O-CB 3.3Å; R69-N73 PolarHBondContact O-N 3.25Å; R69-N73 PolarHBondContact O-ND2 3.39Å
70S88.5Confident86.2Confident4 Ų447.1 Ų47.13%0.02825%0.245CC..Hα-helixtrans-60-46173.9175.40000110.4D32 N66 S67 Y72 N73 A74D32-S70 WeakPolarHBondContact CB-OG 3.42Å; D32-S70 VanDerWaalsContact OD2-CB 3.29Å; D32-S70 WeakPolarHBondContact OD2-CB 3.33Å; D32-S70 PolarHBondContact OD2-OG 2.81Å; N66-S70 WeakPolarHBondContact O-CB 3.46Å; N66-S70 PolarHBondContact O-N 3.19Å; S67-S70 PolarHBondContact O-N 2.78Å; S70-Y72 PolarHBondContact O-N 3.33Å; S70-N73 PolarHBondContact O-N 3.39Å; S70-A74 VanDerWaalsContact O-CB 3.3Å; S70-A74 WeakPolarHBondContact O-CB 3.42Å; S70-A74 PolarHBondContact O-N 3.44Å
71F91.7Very high86.2Confident0 Ų056.2 Ų56.20%028%0.279CS..Hα-helixtrans-61.1-44.9174.6-179.6-114000113.1L9 I20 I25 M29 L56 L60 S67 R69 A74 L75 L87L9-F71 HydrophobicContact CD2-CD1 4.29Å; L9-F71 HydrophobicContact CD2-CE1 3.85Å; I20-F71 HydrophobicContact CD1-CE1 4.47Å; I20-F71 HydrophobicContact CD1-CE2 4.13Å; I20-F71 HydrophobicContact CD1-CZ 3.51Å; I25-F71 HydrophobicContact CG2-CD2 3.54Å; I25-F71 HydrophobicContact CG2-CE2 3.73Å; M29-F71 HydrophobicContact CE-CB 4.22Å; M29-F71 HydrophobicContact SD-CB 4.06Å; M29-F71 HydrophobicContact SD-CD2 3.71Å; M29-F71 HydrophobicContact SD-CG 4.37Å; L56-F71 HydrophobicContact CD2-CE2 4.27Å; L60-F71 HydrophobicContact CD1-CB 3.96Å; L60-F71 HydrophobicContact CD1-CD1 3.77Å; L60-F71 HydrophobicContact CD1-CD2 3.35Å; L60-F71 HydrophobicContact CD1-CE1 3.98Å; L60-F71 HydrophobicContact CD1-CE2 3.57Å; L60-F71 HydrophobicContact CD1-CG 3.42Å; L60-F71 VanDerWaalsContact CD1-CG 3.42Å; L60-F71 HydrophobicContact CD1-CZ 3.85Å; L60-F71 HydrophobicContact CD2-CB 4.08Å; L60-F71 HydrophobicContact CD2-CG 4.46Å; S67-F71 VanDerWaalsContact O-CB 3.32Å; S67-F71 WeakPolarHBondContact O-CB 3.37Å; S67-F71 PolarHBondContact O-N 3.18Å; R69-F71 VanDerWaalsContact C-N 3.34Å; F71-A74 PolarHBondContact O-N 2.88Å; F71-L75 HydrophobicContact CD1-CD1 3.96Å; F71-L75 HydrophobicContact CE1-CD1 3.63Å; F71-L75 HydrophobicContact CE2-CD1 4.45Å; F71-L75 HydrophobicContact CZ-CD1 3.93Å; F71-L75 HydrophobicContact CZ-CG 4.45Å; F71-L75 WeakPolarHBondContact O-CG 3.36Å; F71-L75 PolarHBondContact O-N 3.19Å; F71-L87 HydrophobicContact CD1-CD1 4.22Å; F71-L87 HydrophobicContact CE1-CD1 3.92Å
72Y90.2Very high86.1Confident25 Ų2562.3 Ų62.310%0.09831%0.312CS..Hα-helixtrans-60-45.6174.9173.8-89.8000112Y68 R69 S70 L75 L76 A84 L87 Q88 I91Y68-Y72 WeakPolarHBondContact O-CB 3.41Å; Y68-Y72 PolarHBondContact O-N 2.85Å; R69-Y72 PolarHBondContact O-N 3.39Å; S70-Y72 PolarHBondContact O-N 3.33Å; Y72-L75 PolarHBondContact O-N 3.2Å; Y72-L76 HydrophobicContact CE1-CD1 4.04Å; Y72-L76 PolarHBondContact O-N 3.04Å; Y72-A84 HydrophobicContact CD2-CB 4.4Å; Y72-A84 HydrophobicContact CE2-CB 4.01Å; Y72-A84 WeakPolarHBondContact CE2-O 3.47Å; Y72-L87 HydrophobicContact CD2-CB 3.97Å; Y72-Q88 HydrophobicContact CE2-CB 4.15Å; Y72-I91 HydrophobicContact CD1-CD1 3.94Å; Y72-I91 HydrophobicContact CD1-CG1 4.44Å; Y72-I91 HydrophobicContact CD2-CD1 4.16Å; Y72-I91 HydrophobicContact CD2-CG1 4.22Å; Y72-I91 HydrophobicContact CE1-CD1 3.62Å; Y72-I91 HydrophobicContact CE2-CD1 3.83Å; Y72-I91 HydrophobicContact CE2-CG1 4.3Å; Y72-I91 HydrophobicContact CG-CD1 4.22Å; Y72-I91 HydrophobicContact CG-CG1 4.3Å
73N87.7Confident86.5Confident74 Ų7457.5 Ų57.540%0.39628%0.282SS..Hα-helixtrans-65.2-41.3178.7-71.5-16.9000111.4R69 S70 L76 H77R69-N73 WeakPolarHBondContact O-CB 3.3Å; R69-N73 PolarHBondContact O-N 3.25Å; R69-N73 PolarHBondContact O-ND2 3.39Å; S70-N73 PolarHBondContact O-N 3.39Å; N73-L76 PolarHBondContact O-N 3.34Å; N73-H77 WeakPolarHBondContact O-CB 3.38Å; N73-H77 PolarHBondContact O-N 2.97Å
74A90.3Very high86.5Confident3 Ų355.3 Ų55.33%0.02527%0.273CS..Hα-helixtrans-61.9-42.8175.900000111.3I25 H28 S70 F71 L76 H77 E78I25-A74 HydrophobicContact CD1-CB 4.16Å; I25-A74 HydrophobicContact CG2-CB 3.91Å; H28-A74 HydrophobicContact CB-CB 3.7Å; S70-A74 VanDerWaalsContact O-CB 3.3Å; S70-A74 WeakPolarHBondContact O-CB 3.42Å; S70-A74 PolarHBondContact O-N 3.44Å; F71-A74 PolarHBondContact O-N 2.88Å; A74-L76 VanDerWaalsContact C-N 3.31Å; A74-L76 PolarHBondContact O-N 3.43Å; A74-H77 PolarHBondContact O-N 2.83Å; A74-E78 WeakPolarHBondContact O-CB 3.42Å; A74-E78 WeakPolarHBondContact O-CG 3.19Å; A74-E78 PolarHBondContact O-N 3.34Å
75L90Very high86.8Confident0 Ų054.3 Ų54.30%028%0.275CS..Hα-helixtrans-60.1-41.5173.1-73.4170.6000111.8L16 I20 I25 F71 Y72 G79 Y80 A84 L87L16-L75 HydrophobicContact CD2-CD1 4.35Å; I20-L75 HydrophobicContact CD1-CD2 3.9Å; I20-L75 HydrophobicContact CG1-CD2 3.95Å; I25-L75 HydrophobicContact CD1-CD2 3.88Å; I25-L75 HydrophobicContact CD1-CG 4.3Å; I25-L75 HydrophobicContact CG1-CD2 4.34Å; F71-L75 HydrophobicContact CD1-CD1 3.96Å; F71-L75 HydrophobicContact CE1-CD1 3.63Å; F71-L75 HydrophobicContact CE2-CD1 4.45Å; F71-L75 HydrophobicContact CZ-CD1 3.93Å; F71-L75 HydrophobicContact CZ-CG 4.45Å; F71-L75 WeakPolarHBondContact O-CG 3.36Å; F71-L75 PolarHBondContact O-N 3.19Å; Y72-L75 PolarHBondContact O-N 3.2Å; L75-G79 PolarHBondContact O-N 3.37Å; L75-Y80 HydrophobicContact CD2-CD2 3.94Å; L75-Y80 HydrophobicContact CD2-CG 4.04Å; L75-Y80 WeakPolarHBondContact O-CA 3.25Å; L75-Y80 WeakPolarHBondContact O-CB 3.36Å; L75-Y80 PolarHBondContact O-N 3.05Å; L75-A84 HydrophobicContact CB-CB 4.38Å; L75-L87 HydrophobicContact CD1-CD1 3.74Å
76L88.4Confident87Confident88 Ų8855.9 Ų55.946%0.46128%0.283SS..Hα-helixtrans-69-39.1179.7-149.9112.8000112.2Y72 N73 A74 G79 A84Y72-L76 HydrophobicContact CE1-CD1 4.04Å; Y72-L76 PolarHBondContact O-N 3.04Å; N73-L76 PolarHBondContact O-N 3.34Å; A74-L76 VanDerWaalsContact C-N 3.31Å; A74-L76 PolarHBondContact O-N 3.43Å; L76-G79 PolarHBondContact O-N 2.85Å; L76-A84 HydrophobicContact CD1-CB 3.87Å
77H86.3Confident87.1Confident139 Ų13951.8 Ų51.864%0.64426%0.261SS*.Hα-helixtrans-68.6-41.6179.8-168.7-84.4000112H28 N73 A74 G79H28-H77 AromaticContact CE1-CE1 3.67Å; H28-H77 AromaticContact CE1-CG 3.89Å; H28-H77 AromaticContact CE1-ND1 3.33Å; H28-H77 PolarHBondContact CE1-ND1 2.91Å; H28-H77 VanDerWaalsContact CE1-ND1 3.33Å; H28-H77 AromaticContact NE2-ND1 3.39Å; H28-H77 PolarHBondContact NE2-ND1 3.14Å; N73-H77 WeakPolarHBondContact O-CB 3.38Å; N73-H77 PolarHBondContact O-N 2.97Å; A74-H77 PolarHBondContact O-N 2.83Å; H77-G79 PolarHBondContact O-N 3.21Å
78E88.3Confident87.1Confident69 Ų6956.8 Ų56.832%0.32228%0.284SS..THydrogen-bonded Turntrans-816.9177.9-64.3-55.6128.400113.5I25 H28 A74 Y80I25-E78 HydrophobicContact CD1-CB 4.09Å; I25-E78 HydrophobicContact CD1-CG 4.01Å; H28-E78 IonicContact CD2-OE1 3.41Å; H28-E78 IonicContact CE1-OE1 2.81Å; H28-E78 IonicContact NE2-OE1 3Å; H28-E78 PolarHBondContact NE2-OE1 3.07Å; A74-E78 WeakPolarHBondContact O-CB 3.42Å; A74-E78 WeakPolarHBondContact O-CG 3.19Å; A74-E78 PolarHBondContact O-N 3.34Å; E78-Y80 HydrophobicContact CB-CD2 3.9Å; E78-Y80 HydrophobicContact CB-CE2 3.97Å
79G84Confident86.9Confident49 Ų4961.8 Ų61.851%0.50531%0.311SS..THydrogen-bonded Turntrans84.49.9171.200000115.7L75 L76 H77 R81L75-G79 PolarHBondContact O-N 3.37Å; L76-G79 PolarHBondContact O-N 2.85Å; H77-G79 PolarHBondContact O-N 3.21Å; G79-R81 PolarHBondContact O-N 2.85Å
80Y89.4Confident86.5Confident47 Ų4756.2 Ų56.218%0.18429%0.29CS..  trans-77.358.3175.1-65.5-78.8000112.3D19 K21 I25 L75 E78 D82 L83 A84D19-Y80 WeakPolarHBondContact O-CE1 3.36Å; K21-Y80 WeakPolarHBondContact CB-OH 3.28Å; K21-Y80 PolarHBondContact N-OH 2.91Å; I25-Y80 HydrophobicContact CD1-CD2 4.13Å; I25-Y80 HydrophobicContact CD1-CE2 4.13Å; L75-Y80 HydrophobicContact CD2-CD2 3.94Å; L75-Y80 HydrophobicContact CD2-CG 4.04Å; L75-Y80 WeakPolarHBondContact O-CA 3.25Å; L75-Y80 WeakPolarHBondContact O-CB 3.36Å; L75-Y80 PolarHBondContact O-N 3.05Å; E78-Y80 HydrophobicContact CB-CD2 3.9Å; E78-Y80 HydrophobicContact CB-CE2 3.97Å; Y80-D82 VanDerWaalsContact C-N 3.34Å; Y80-D82 PolarHBondContact O-N 3.09Å; Y80-L83 HydrophobicContact CD1-CD1 3.76Å; Y80-L83 HydrophobicContact CE1-CD1 4.46Å; Y80-L83 HydrophobicContact CG-CD1 4.23Å; Y80-L83 PolarHBondContact O-N 2.78Å; Y80-A84 WeakPolarHBondContact O-CB 3.17Å; Y80-A84 PolarHBondContact O-N 2.85Å
81R84.8Confident86Confident193 Ų19358.6 Ų58.673%0.72830%0.301SS*.Hα-helixtrans-62.2-37.7-173.6-65.6-175.8-177.6176.21.7113.5G79 A84 A85G79-R81 PolarHBondContact O-N 2.85Å; R81-A84 PolarHBondContact O-N 3.35Å; R81-A85 WeakPolarHBondContact O-CB 3.19Å; R81-A85 PolarHBondContact O-N 2.98Å
82D84.2Confident84.9Confident139 Ų13959 Ų5974%0.74330%0.304SS*.Hα-helixtrans-68.8-40.1179.5-60.2-28.9000111.5Y80 A85 L86Y80-D82 VanDerWaalsContact C-N 3.34Å; Y80-D82 PolarHBondContact O-N 3.09Å; D82-A85 PolarHBondContact O-N 3.17Å; D82-L86 WeakPolarHBondContact O-CG 3.43Å; D82-L86 PolarHBondContact O-N 3.02Å
83L86.4Confident83.6Confident11 Ų1164.6 Ų64.66%0.05834%0.34CS..Hα-helixtrans-72.3-38176.2-61.3179.5000112A15 L16 D19 I20 Y80 A85 L86A15-L83 HydrophobicContact CB-CD2 4.21Å; L16-L83 HydrophobicContact CD2-CB 4.11Å; L16-L83 HydrophobicContact CD2-CD1 4.49Å; L16-L83 HydrophobicContact CD2-CD2 4.36Å; D19-L83 HydrophobicContact CB-CD1 3.99Å; I20-L83 HydrophobicContact CG1-CD1 3.74Å; Y80-L83 HydrophobicContact CD1-CD1 3.76Å; Y80-L83 HydrophobicContact CE1-CD1 4.46Å; Y80-L83 HydrophobicContact CG-CD1 4.23Å; Y80-L83 PolarHBondContact O-N 2.78Å; L83-A85 VanDerWaalsContact C-N 3.34Å; L83-L86 HydrophobicContact CD2-CD1 4.41Å; L83-L86 WeakPolarHBondContact O-CB 3.33Å; L83-L86 PolarHBondContact O-N 3.42Å
84A85.3Confident81.8Confident1 Ų164.4 Ų64.41%0.00834%0.339CS..Hα-helixtrans-64.3-40.117400000110.8Y72 L75 L76 Y80 R81 L86 L87 Q88Y72-A84 HydrophobicContact CD2-CB 4.4Å; Y72-A84 HydrophobicContact CE2-CB 4.01Å; Y72-A84 WeakPolarHBondContact CE2-O 3.47Å; L75-A84 HydrophobicContact CB-CB 4.38Å; L76-A84 HydrophobicContact CD1-CB 3.87Å; Y80-A84 WeakPolarHBondContact O-CB 3.17Å; Y80-A84 PolarHBondContact O-N 2.85Å; R81-A84 PolarHBondContact O-N 3.35Å; A84-L86 VanDerWaalsContact C-N 3.25Å; A84-L86 PolarHBondContact O-N 2.96Å; A84-L87 CarbonylContact O-C 3.56Å; A84-L87 PolarHBondContact O-N 3.31Å; A84-Q88 PolarHBondContact O-N 3.43Å
85A87.1Confident79.5Confident53 Ų5369.4 Ų69.444%0.43837%0.374SS..Hα-helixtrans-57.1-38.3175.800000112.4R81 D82 L83 L87 Q88R81-A85 WeakPolarHBondContact O-CB 3.19Å; R81-A85 PolarHBondContact O-N 2.98Å; D82-A85 PolarHBondContact O-N 3.17Å; L83-A85 VanDerWaalsContact C-N 3.34Å; A85-L87 PolarHBondContact O-N 3.02Å; A85-Q88 PolarHBondContact O-N 3.36Å
86L86.4Confident77Confident70 Ų7074.4 Ų74.437%0.36641%0.409SS..Hα-helixtrans-64.5-23.4175.8-64175.3000113.8N12 A15 D82 L83 A84N12-L86 HydrophobicContact CB-CB 4.3Å; N12-L86 HydrophobicContact CB-CD1 4.44Å; N12-L86 PolarHBondContact ND2-O 3.35Å; N12-L86 VanDerWaalsContact ND2-O 3.09Å; A15-L86 HydrophobicContact CB-CD1 4.1Å; D82-L86 WeakPolarHBondContact O-CG 3.43Å; D82-L86 PolarHBondContact O-N 3.02Å; L83-L86 HydrophobicContact CD2-CD1 4.41Å; L83-L86 WeakPolarHBondContact O-CB 3.33Å; L83-L86 PolarHBondContact O-N 3.42Å; A84-L86 VanDerWaalsContact C-N 3.25Å; A84-L86 PolarHBondContact O-N 2.96Å
87L85.3Confident74.6Confident0 Ų074 Ų740%043%0.426CS..Hα-helixtrans-103.9-5.4-177.6-63.9178.2000113.3L9 L16 Y68 F71 Y72 L75 A84 A85 D89 G90L9-L87 HydrophobicContact CD2-CD1 4.38Å; L9-L87 HydrophobicContact CD2-CD2 4.21Å; L9-L87 HydrophobicContact CG-CD2 4.42Å; L16-L87 HydrophobicContact CD1-CD1 4.24Å; L16-L87 HydrophobicContact CD1-CD2 4.23Å; L16-L87 HydrophobicContact CD2-CD1 3.88Å; L16-L87 HydrophobicContact CD2-CG 4.49Å; Y68-L87 WeakPolarHBondContact OH-CD2 3.22Å; Y68-L87 PolarHBondContact OH-O 2.87Å; Y68-L87 VanDerWaalsContact OH-O 3.12Å; F71-L87 HydrophobicContact CD1-CD1 4.22Å; F71-L87 HydrophobicContact CE1-CD1 3.92Å; Y72-L87 HydrophobicContact CD2-CB 3.97Å; L75-L87 HydrophobicContact CD1-CD1 3.74Å; A84-L87 CarbonylContact O-C 3.56Å; A84-L87 PolarHBondContact O-N 3.31Å; A85-L87 PolarHBondContact O-N 3.02Å; L87-D89 PolarHBondContact O-N 2.89Å; L87-G90 PolarHBondContact O-N 3.29Å; L87-G90 VanDerWaalsContact O-N 3.15Å
88Q84.4Confident71.9Confident110 Ų11074.5 Ų74.551%0.51443%0.433SS..Hα-helixtrans-63-42.8-174.5-176174.4-5.700112.9Y72 A84 A85 G90 I91Y72-Q88 HydrophobicContact CE2-CB 4.15Å; A84-Q88 PolarHBondContact O-N 3.43Å; A85-Q88 PolarHBondContact O-N 3.36Å; Q88-G90 PolarHBondContact O-N 2.87Å; Q88-I91 HydrophobicContact CG-CD1 4.44Å; Q88-I91 WeakPolarHBondContact O-CD1 3.38Å; Q88-I91 VanDerWaalsContact O-CG1 3.31Å; Q88-I91 WeakPolarHBondContact O-CG1 3.41Å; Q88-I91 PolarHBondContact O-N 3.5Å
89D81Confident69.4Low106 Ų10675 Ų7557%0.56746%0.457SS*.THydrogen-bonded Turntrans-72.6-12.7-179.9-67.8-28.2000113.1K4 Y8 L87K4-D89 WeakPolarHBondContact CE-O 3.35Å; K4-D89 PolarHBondContact NZ-O 2.9Å; Y8-D89 HydrophobicContact CE1-CB 3.91Å; L87-D89 PolarHBondContact O-N 2.89Å
90G75.9Confident66.9Low0 Ų082.2 Ų82.20%047%0.474CS..THydrogen-bonded Turntrans-93.3-1.4178.100000114.9S5 Y68 L87 Q88 P92S5-G90 WeakPolarHBondContact CA-O 3.46Å; S5-G90 VanDerWaalsContact CB-O 3.31Å; S5-G90 WeakPolarHBondContact CB-O 3.48Å; S5-G90 PolarHBondContact OG-O 3.36Å; Y68-G90 WeakPolarHBondContact CE1-O 3.29Å; L87-G90 PolarHBondContact O-N 3.29Å; L87-G90 VanDerWaalsContact O-N 3.15Å; Q88-G90 PolarHBondContact O-N 2.87Å; G90-P92 WeakPolarHBondContact O-CD 3.46Å
91I78.9Confident64.4Low53 Ų5385.5 Ų85.527%0.27250%0.504SS..  trans-65.5124.7-178.1-60.6168.2000110.1Y68 Y72 Q88Y68-I91 HydrophobicContact CE1-CG1 4.41Å; Y72-I91 HydrophobicContact CD1-CD1 3.94Å; Y72-I91 HydrophobicContact CD1-CG1 4.44Å; Y72-I91 HydrophobicContact CD2-CD1 4.16Å; Y72-I91 HydrophobicContact CD2-CG1 4.22Å; Y72-I91 HydrophobicContact CE1-CD1 3.62Å; Y72-I91 HydrophobicContact CE2-CD1 3.83Å; Y72-I91 HydrophobicContact CE2-CG1 4.3Å; Y72-I91 HydrophobicContact CG-CD1 4.22Å; Y72-I91 HydrophobicContact CG-CG1 4.3Å; Q88-I91 HydrophobicContact CG-CD1 4.44Å; Q88-I91 WeakPolarHBondContact O-CD1 3.38Å; Q88-I91 VanDerWaalsContact O-CG1 3.31Å; Q88-I91 WeakPolarHBondContact O-CG1 3.41Å; Q88-I91 PolarHBondContact O-N 3.5Å
92P68.4Low61.9Low8 Ų880.1 Ų80.15%0.05250%0.496CS..  trans-71.7138.2179.426.8-30.9000111.5N65 G90 I94N65-P92 HydrophobicContact CB-CB 3.9Å; N65-P92 HydrophobicContact CB-CG 3.61Å; G90-P92 WeakPolarHBondContact O-CD 3.46Å; P92-I94 PolarHBondContact O-N 2.86Å
93V62.4Low59.8Low143 Ų14383.3 Ų83.387%0.86751%0.509SS*.  trans-79.6101175.9-177.40000108.6
94I51.4Low57.9Low71 Ų7186.6 Ų86.636%0.36453%0.527SS..  trans-83.7117.5171.6-60.5164.1000107.5N66 P92 S96N66-I94 WeakPolarHBondContact OD1-CD1 3.41Å; P92-I94 PolarHBondContact O-N 2.86Å; I94-S96 PolarHBondContact O-N 3.39Å
95S41.3Very low56.5Low108 Ų10888.9 Ų88.976%0.75555%0.55SS**  trans-61.7107.8163.445.10000108.1G97S95-G97 PolarHBondContact O-N 2.92Å
96S37.9Very low55.2Low105 Ų10589.2 Ų89.273%0.73454%0.544SS*.  trans-58.4107.1164.353.90000107.3I94 N98I94-S96 PolarHBondContact O-N 3.39Å; S96-N98 PolarHBondContact O-N 3.33Å
97G37.1Very low54.7Low79 Ų7988.2 Ų88.281%0.81454%0.54SS*.  trans-65.279.6176.800000111S95S95-G97 PolarHBondContact O-N 2.92Å
98N30.2Very low54.1Low150 Ų15093.4 Ų93.480%0.80258%0.576SS**  trans-81.8116.3154.4-101.5-7.1000107S96 K100S96-N98 PolarHBondContact O-N 3.33Å; N98-K100 PolarHBondContact O-N 3.46Å
99G36.1Very low53.6Low80 Ų8091.4 Ų91.483%0.82557%0.565SS**  trans-48.7101.5177.900000112.1
100K31.2Very low53.5Low199 Ų19986.4 Ų86.487%0.86554%0.538SS*.  trans-100.1100.6143.5-76.9-174.1178.1179.10105.6N98 S102N98-K100 PolarHBondContact O-N 3.46Å; K100-S102 PolarHBondContact O-N 3.31Å
101S37.7Very low53.6Low116 Ų11693.1 Ų93.181%0.81157%0.567SS**  trans-41.698.916252.40000109.8
102S31.8Very low53.7Low81 Ų8195.8 Ų95.857%0.56658%0.58SS**  trans-71.4136.8151.153.20000105.8K100 D104K100-S102 PolarHBondContact O-N 3.31Å; S102-D104 PolarHBondContact O-N 2.92Å
103M39.2Very low54.2Low205 Ų20596.2 Ų96.2100%1.0158%0.581SS**THydrogen-bonded Turntrans-6221.7-179-82.7-158.915500114.8
104D46.8Very low55.2Low81 Ų8189.8 Ų89.843%0.43354%0.542SS..THydrogen-bonded Turntrans-127.89.9-159.2-146.77.3000115.1S102 M106 R122S102-D104 PolarHBondContact O-N 2.92Å; D104-M106 PolarHBondContact O-N 2.91Å; D104-R122 VanDerWaalsContact CG-NH1 3.27Å; D104-R122 IonicContact OD1-CZ 3.69Å; D104-R122 IonicContact OD1-NH1 3.57Å; D104-R122 PolarHBondContact OD1-NH1 3.2Å; D104-R122 IonicContact OD1-NH2 3.1Å; D104-R122 PolarHBondContact OD1-NH2 3.34Å; D104-R122 IonicContact OD2-NH1 3.85Å; D104-R122 PolarHBondContact OD2-NH1 2.85Å
105G55.9Low56.5Low48 Ų4890.1 Ų90.150%0.49555%0.55SS.*  trans63.5-5.5171.200000117.2T107G105-T107 PolarHBondContact O-N 3.3Å
106M60.2Low58.2Low61 Ų6191.7 Ų91.730%0.355%0.545SS..  trans-81.9104.9-173.8-87.5-69.7-174.200112.9D104 V110 L114 R169D104-M106 PolarHBondContact O-N 2.91Å; M106-V110 HydrophobicContact CE-CG1 4.33Å; M106-V110 HydrophobicContact SD-CB 4.32Å; M106-V110 HydrophobicContact SD-CG1 3.7Å; M106-L114 HydrophobicContact CE-CD1 4.14Å; M106-R169 HydrophobicContact CE-CB 4.09Å; M106-R169 HydrophobicContact CE-CG 3.63Å
107T75.4Confident60.1Low49 Ų4986.8 Ų86.830%0.30151%0.511SS..  trans-93.2161.7169650000111.1G105 Y109 V110 K111 H171G105-T107 PolarHBondContact O-N 3.3Å; T107-Y109 PolarHBondContact O-N 2.8Å; T107-V110 PolarHBondContact O-N 2.91Å; T107-V110 VanDerWaalsContact OG1-CG2 3.29Å; T107-V110 WeakPolarHBondContact OG1-CG2 3.37Å; T107-V110 PolarHBondContact OG1-N 3.03Å; T107-K111 PolarHBondContact O-N 3.43Å; T107-H171 HydrophobicContact CG2-CB 4.29Å
108S72.8Confident62.1Low108 Ų10883.8 Ų83.876%0.75548%0.48SS*.Hα-helixtrans-58-35173.549.10000112.2K111 M112S108-K111 PolarHBondContact O-N 2.95Å; S108-M112 PolarHBondContact O-N 3.14Å
109Y74.9Confident64.7Low69 Ų6977 Ų7727%0.27144%0.444SS..Hα-helixtrans-61-51.9173.8175.2-100.1000112.3T107 K111 M112 I113 H171 L174 E175T107-Y109 PolarHBondContact O-N 2.8Å; Y109-K111 VanDerWaalsContact C-N 3.27Å; Y109-K111 PolarHBondContact O-N 2.52Å; Y109-M112 PolarHBondContact O-N 3.33Å; Y109-I113 HydrophobicContact CD1-CD1 4.12Å; Y109-I113 HydrophobicContact CD2-CD1 4.12Å; Y109-I113 HydrophobicContact CE1-CD1 3.48Å; Y109-I113 VanDerWaalsContact CE1-CD1 3.48Å; Y109-I113 HydrophobicContact CE2-CD1 3.47Å; Y109-I113 VanDerWaalsContact CE2-CD1 3.47Å; Y109-I113 HydrophobicContact CE2-CG1 4.37Å; Y109-I113 HydrophobicContact CG-CD1 4.42Å; Y109-I113 PolarHBondContact O-N 3.38Å; Y109-I113 VanDerWaalsContact OH-CD1 3.22Å; Y109-I113 WeakPolarHBondContact OH-CD1 3.21Å; Y109-H171 AromaticContact CD1-CE1 3.71Å; Y109-H171 AromaticContact CD1-ND1 3.49Å; Y109-H171 WeakPolarHBondContact CD1-ND1 3.36Å; Y109-L174 HydrophobicContact CE1-CB 4.34Å; Y109-E175 HydrophobicContact CE1-CB 4.2Å
110V78.1Confident66.8Low0 Ų073.9 Ų73.90%041%0.409CS..Hα-helixtrans-58.6-42.7177.5173.10000110.5M106 T107 M112 L114 H171 L174M106-V110 HydrophobicContact CE-CG1 4.33Å; M106-V110 HydrophobicContact SD-CB 4.32Å; M106-V110 HydrophobicContact SD-CG1 3.7Å; T107-V110 PolarHBondContact O-N 2.91Å; T107-V110 VanDerWaalsContact OG1-CG2 3.29Å; T107-V110 WeakPolarHBondContact OG1-CG2 3.37Å; T107-V110 PolarHBondContact OG1-N 3.03Å; V110-M112 PolarHBondContact O-N 3.26Å; V110-L114 HydrophobicContact CG1-CD1 3.49Å; V110-L114 VanDerWaalsContact CG1-CD1 3.49Å; V110-L114 HydrophobicContact CG1-CG 4.08Å; V110-L114 WeakPolarHBondContact O-CB 3.41Å; V110-L114 WeakPolarHBondContact O-CG 3.28Å; V110-L114 PolarHBondContact O-N 3.46Å; V110-H171 HydrophobicContact CG2-CB 3.72Å; V110-L174 HydrophobicContact CG1-CD1 4.25Å; V110-L174 HydrophobicContact CG2-CD1 4.27Å
111K77.9Confident69Low142 Ų14269.1 Ų69.162%0.61739%0.39SS*.Hα-helixtrans-63.7-40178.9-168.3176.7-179.7-178.90112.6T107 S108 Y109 C115T107-K111 PolarHBondContact O-N 3.43Å; S108-K111 PolarHBondContact O-N 2.95Å; Y109-K111 VanDerWaalsContact C-N 3.27Å; Y109-K111 PolarHBondContact O-N 2.52Å; K111-C115 VanDerWaalsContact O-CB 3.27Å; K111-C115 WeakPolarHBondContact O-CB 3.04Å; K111-C115 PolarHBondContact O-N 2.88Å; K111-C115 VanDerWaalsContact O-N 3.16Å; K111-C115 PolarHBondContact O-SG 3.3Å
112M80.1Confident71Confident109 Ų10966.8 Ų66.854%0.53736%0.364SS..Hα-helixtrans-62.9-55.8177-175.7-153.7-67.400110.8S108 Y109 V110 L114 C115 E116S108-M112 PolarHBondContact O-N 3.14Å; Y109-M112 PolarHBondContact O-N 3.33Å; V110-M112 PolarHBondContact O-N 3.26Å; M112-L114 PolarHBondContact O-N 3.39Å; M112-C115 PolarHBondContact O-N 3.26Å; M112-C115 VanDerWaalsContact O-N 3.17Å; M112-E116 PolarHBondContact O-N 3.29Å
113I80.8Confident73Confident16 Ų1665.5 Ų65.58%0.08235%0.353CS..Hα-helixtrans-61-43.4-176.3-70.5-178.9000111.9Y109 C115 E116 G117 L174 V182Y109-I113 HydrophobicContact CD1-CD1 4.12Å; Y109-I113 HydrophobicContact CD2-CD1 4.12Å; Y109-I113 HydrophobicContact CE1-CD1 3.48Å; Y109-I113 VanDerWaalsContact CE1-CD1 3.48Å; Y109-I113 HydrophobicContact CE2-CD1 3.47Å; Y109-I113 VanDerWaalsContact CE2-CD1 3.47Å; Y109-I113 HydrophobicContact CE2-CG1 4.37Å; Y109-I113 HydrophobicContact CG-CD1 4.42Å; Y109-I113 PolarHBondContact O-N 3.38Å; Y109-I113 VanDerWaalsContact OH-CD1 3.22Å; Y109-I113 WeakPolarHBondContact OH-CD1 3.21Å; I113-C115 VanDerWaalsContact C-N 3.32Å; I113-C115 PolarHBondContact O-N 3.3Å; I113-E116 PolarHBondContact O-N 2.82Å; I113-G117 PolarHBondContact O-N 2.74Å; I113-L174 HydrophobicContact CG2-CD1 4.31Å; I113-V182 HydrophobicContact CG2-CG2 4.47Å
114L81.8Confident74.5Confident8 Ų859.4 Ų59.44%0.04233%0.327CS..Hα-helixtrans-68.5-33.4-179.6-65.9179.1000112.2M106 V110 M112 G118 V119 L168 R169 L174M106-L114 HydrophobicContact CE-CD1 4.14Å; V110-L114 HydrophobicContact CG1-CD1 3.49Å; V110-L114 VanDerWaalsContact CG1-CD1 3.49Å; V110-L114 HydrophobicContact CG1-CG 4.08Å; V110-L114 WeakPolarHBondContact O-CB 3.41Å; V110-L114 WeakPolarHBondContact O-CG 3.28Å; V110-L114 PolarHBondContact O-N 3.46Å; M112-L114 PolarHBondContact O-N 3.39Å; L114-G118 PolarHBondContact O-N 3.15Å; L114-V119 HydrophobicContact CB-CB 4.18Å; L114-V119 HydrophobicContact CB-CG2 4.43Å; L114-V119 HydrophobicContact CD2-CB 4Å; L114-V119 HydrophobicContact CD2-CG1 4.14Å; L114-V119 HydrophobicContact CD2-CG2 3.7Å; L114-V119 PolarHBondContact O-N 3.16Å; L114-L168 HydrophobicContact CD2-CB 4.2Å; L114-R169 HydrophobicContact CD1-CB 4.37Å; L114-R169 HydrophobicContact CD1-CG 3.57Å; L114-L174 HydrophobicContact CD2-CD1 4.31Å; L114-L174 HydrophobicContact CG-CD1 4.48Å
115C79.9Confident75.8Confident79 Ų7956.7 Ų56.753%0.53431%0.314SS..Hα-helixtrans-71.4-44.5175.4-76.60000112K111 M112 I113 G117 G118K111-C115 VanDerWaalsContact O-CB 3.27Å; K111-C115 WeakPolarHBondContact O-CB 3.04Å; K111-C115 PolarHBondContact O-N 2.88Å; K111-C115 VanDerWaalsContact O-N 3.16Å; K111-C115 PolarHBondContact O-SG 3.3Å; M112-C115 PolarHBondContact O-N 3.26Å; M112-C115 VanDerWaalsContact O-N 3.17Å; I113-C115 VanDerWaalsContact C-N 3.32Å; I113-C115 PolarHBondContact O-N 3.3Å; C115-G117 VanDerWaalsContact C-N 3.26Å; C115-G117 PolarHBondContact O-N 3.22Å; C115-G118 PolarHBondContact O-N 2.7Å
116E76.4Confident76.9Confident141 Ų14156.6 Ų56.666%0.65930%0.3SS*.Hα-helixtrans-64.5-34.2174.6-71-174.7172.400111.8M112 I113 G118M112-E116 PolarHBondContact O-N 3.29Å; I113-E116 PolarHBondContact O-N 2.82Å; E116-G118 VanDerWaalsContact C-N 3.27Å; E116-G118 PolarHBondContact O-N 3.1Å
117G77.7Confident77.9Confident1 Ų154.4 Ų54.41%0.0129%0.29CS..THydrogen-bonded Turntrans-72.6-12.3176.600000115.9I113 C115 V119 V182 W184I113-G117 PolarHBondContact O-N 2.74Å; C115-G117 VanDerWaalsContact C-N 3.26Å; C115-G117 PolarHBondContact O-N 3.22Å; G117-V119 VanDerWaalsContact C-N 3.31Å; G117-V182 WeakPolarHBondContact CA-O 3.46Å; G117-W184 WeakPolarHBondContact O-CB 3.39Å; G117-W184 PolarHBondContact O-N 2.95Å
118G78.5Confident78.1Confident16 Ų1655.7 Ų55.717%0.16530%0.298CS..THydrogen-bonded Turntrans67.728.6-174.900000113.8L114 C115 E116 W184L114-G118 PolarHBondContact O-N 3.15Å; C115-G118 PolarHBondContact O-N 2.7Å; E116-G118 VanDerWaalsContact C-N 3.27Å; E116-G118 PolarHBondContact O-N 3.1Å; G118-W184 WeakPolarHBondContact O-CB 3.5Å
119V85.4Confident78.6Confident9 Ų952.3 Ų52.36%0.05527%0.268CS..PPolyproline II helixtrans-72.6128.8179.4-1800000109.4L114 G117 A165 V182 W184L114-V119 HydrophobicContact CB-CB 4.18Å; L114-V119 HydrophobicContact CB-CG2 4.43Å; L114-V119 HydrophobicContact CD2-CB 4Å; L114-V119 HydrophobicContact CD2-CG1 4.14Å; L114-V119 HydrophobicContact CD2-CG2 3.7Å; L114-V119 PolarHBondContact O-N 3.16Å; G117-V119 VanDerWaalsContact C-N 3.31Å; V119-A165 HydrophobicContact CG1-CB 3.87Å; V119-V182 HydrophobicContact CG2-CG1 4.12Å; V119-W184 HydrophobicContact CG1-CE3 4.11Å; V119-W184 HydrophobicContact CG1-CZ3 4.44Å; V119-W184 HydrophobicContact CG2-CB 4.24Å; V119-W184 HydrophobicContact CG2-CE3 4.27Å
120P80.9Confident79.1Confident14 Ų1452.5 Ų52.59%0.09128%0.278CS..PPolyproline II helixtrans-61.5145.6-175.122.8-33000112.4T161 A165 R169 W184P120-T161 HydrophobicContact CG-CG2 4.26Å; P120-A165 HydrophobicContact CG-CB 4.12Å; P120-R169 PolarHBondContact O-NH2 3.31Å; P120-W184 HydrophobicContact CG-CD2 4.36Å; P120-W184 HydrophobicContact CG-CH2 4.26Å; P120-W184 HydrophobicContact CG-CZ2 3.95Å
121Q76.4Confident79.5Confident98 Ų9861.2 Ų61.246%0.45832%0.316SS..PPolyproline II helixtrans-70.5159.7177.7-64.4-168.50.300112.1
122R79.6Confident80Confident68 Ų6856.1 Ų56.126%0.25730%0.295SS..PPolyproline II helixtrans-61.5142.2174.7-74.7-179.6178.8163.6-4109.1D104 E166D104-R122 VanDerWaalsContact CG-NH1 3.27Å; D104-R122 IonicContact OD1-CZ 3.69Å; D104-R122 IonicContact OD1-NH1 3.57Å; D104-R122 PolarHBondContact OD1-NH1 3.2Å; D104-R122 IonicContact OD1-NH2 3.1Å; D104-R122 PolarHBondContact OD1-NH2 3.34Å; D104-R122 IonicContact OD2-NH1 3.85Å; D104-R122 PolarHBondContact OD2-NH1 2.85Å; R122-E166 IonicContact CZ-OE1 2.76Å; R122-E166 IonicContact CZ-OE2 2.64Å; R122-E166 IonicContact NE-OE1 3.79Å; R122-E166 IonicContact NE-OE2 3.76Å; R122-E166 PolarHBondContact NE-OE2 2.97Å; R122-E166 IonicContact NH2-OE1 3.26Å; R122-E166 PolarHBondContact NH2-OE1 2.94Å; R122-E166 IonicContact NH2-OE2 3.96Å; R122-E166 PolarHBondContact NH2-OE2 3.23Å
123P74Confident80.4Confident54 Ų5451.6 Ų51.635%0.35127%0.273SS..PPolyproline II helixtrans-57.5160.1171.1-2232.2000112V125 V162P123-V125 PolarHBondContact O-N 3.23Å; P123-V125 VanDerWaalsContact O-N 3.15Å; P123-V162 HydrophobicContact CG-CG1 3.98Å; P123-V162 HydrophobicContact CG-CG2 3.89Å
124V70.3Confident80.9Confident76 Ų7654.4 Ų54.446%0.46129%0.289SS..SBendtrans-51-41.3-179.4-179.50000112.1
125V74.3Confident81.3Confident24 Ų2455.5 Ų55.515%0.14530%0.299CS..SBendtrans-123.3123.7171.2175.10000108.1P123 V294 L297 F298P123-V125 PolarHBondContact O-N 3.23Å; P123-V125 VanDerWaalsContact O-N 3.15Å; V125-V294 HydrophobicContact CG1-CG1 4.35Å; V125-L297 HydrophobicContact CG1-CB 3.49Å; V125-L297 VanDerWaalsContact CG1-CB 3.49Å; V125-L297 HydrophobicContact CG1-CD1 3.84Å; V125-L297 HydrophobicContact CG1-CG 4.33Å; V125-F298 HydrophobicContact CB-CD2 3.9Å; V125-F298 HydrophobicContact CB-CE1 4.15Å; V125-F298 HydrophobicContact CB-CE2 3.48Å; V125-F298 VanDerWaalsContact CB-CE2 3.48Å; V125-F298 HydrophobicContact CB-CG 4.4Å; V125-F298 HydrophobicContact CB-CZ 3.62Å; V125-F298 HydrophobicContact CG1-CD2 3.99Å; V125-F298 HydrophobicContact CG1-CE2 3.93Å; V125-F298 HydrophobicContact CG2-CD1 3.65Å; V125-F298 HydrophobicContact CG2-CD2 3.8Å; V125-F298 HydrophobicContact CG2-CE1 3.53Å; V125-F298 HydrophobicContact CG2-CE2 3.69Å; V125-F298 HydrophobicContact CG2-CG 3.78Å; V125-F298 HydrophobicContact CG2-CZ 3.56Å
126F80Confident81.9Confident47 Ų4751.8 Ų51.821%0.20627%0.274CS..  trans-127.1137.8-177174.7-106.7000110.6T128 V162 E166F126-T128 HydrophobicContact CD1-CG2 4.47Å; F126-T128 HydrophobicContact CE1-CG2 3.79Å; F126-V162 HydrophobicContact CD2-CG1 3.82Å; F126-V162 HydrophobicContact CE2-CG1 3.67Å; F126-E166 HydrophobicContact CE1-CG 4.36Å; F126-E166 HydrophobicContact CZ-CB 4.27Å; F126-E166 HydrophobicContact CZ-CG 3.83Å
127V81.6Confident82.6Confident14 Ų1447 Ų479%0.08525%0.251CS..  trans-122.5129.5177.4174.60000109.3K290 E293 V294 L297V127-K290 HydrophobicContact CG1-CB 4.33Å; V127-K290 HydrophobicContact CG1-CD 3.65Å; V127-K290 HydrophobicContact CG1-CG 4.45Å; V127-E293 HydrophobicContact CG1-CB 4.49Å; V127-E293 HydrophobicContact CG1-CG 4.31Å; V127-E293 WeakPolarHBondContact CG1-OE2 3.31Å; V127-E293 HydrophobicContact CG2-CB 4.33Å; V127-E293 HydrophobicContact CG2-CG 4.09Å; V127-V294 HydrophobicContact CB-CG2 4.19Å; V127-V294 HydrophobicContact CG2-CB 4.4Å; V127-V294 HydrophobicContact CG2-CG2 3.5Å; V127-V294 VanDerWaalsContact CG2-CG2 3.5Å; V127-L297 HydrophobicContact CG2-CD1 3.79Å
128T78.1Confident83.2Confident77 Ų7753.4 Ų53.447%0.47228%0.28SS..  trans-72.8136.8-175.655.40000112F126F126-T128 HydrophobicContact CD1-CG2 4.47Å; F126-T128 HydrophobicContact CE1-CG2 3.79Å
129R84.7Confident83.9Confident37 Ų3756.5 Ų56.514%0.1429%0.289CS..  trans-123.368.9176-67.5176.869.9179.57.8109.9K131 L132 V133 C158 L163R129-K131 VanDerWaalsContact C-N 3.33Å; R129-K131 PolarHBondContact O-N 3.17Å; R129-L132 PolarHBondContact O-N 3.5Å; R129-V133 WeakPolarHBondContact O-CG2 3.38Å; R129-V133 PolarHBondContact O-N 2.94Å; R129-C158 PolarHBondContact NH1-O 2.8Å; R129-L163 HydrophobicContact CB-CD2 3.84Å; R129-L163 HydrophobicContact CG-CD2 4.44Å
130P84.3Confident84.1Confident72 Ų7256.1 Ų56.147%0.46829%0.287SS..Hα-helixtrans-58.3-41.2-166.622-33.2000112.9L132 V133 D134P130-L132 VanDerWaalsContact C-N 3.3Å; P130-L132 PolarHBondContact O-N 3.43Å; P130-V133 PolarHBondContact O-N 3.29Å; P130-V133 VanDerWaalsContact O-N 3.16Å; P130-D134 WeakPolarHBondContact O-CB 3.44Å; P130-D134 PolarHBondContact O-N 3.03Å
131K87.6Confident84.4Confident184 Ų18457.3 Ų57.380%0.830%0.295SS*.Hα-helixtrans-53.1-42.5179.5-65-178.2179.7178.30114R129 A135R129-K131 VanDerWaalsContact C-N 3.33Å; R129-K131 PolarHBondContact O-N 3.17Å; K131-A135 WeakPolarHBondContact O-CB 3.22Å; K131-A135 PolarHBondContact O-N 3.24Å
132L87.9Confident85Confident35 Ų3556 Ų5618%0.18330%0.296CS..Hα-helixtrans-81-37.8-179.8-69.6177.4000111.7R129 P130 D134 A135 I136 L163 V282R129-L132 PolarHBondContact O-N 3.5Å; P130-L132 VanDerWaalsContact C-N 3.3Å; P130-L132 PolarHBondContact O-N 3.43Å; L132-D134 VanDerWaalsContact C-N 3.35Å; L132-A135 WeakPolarHBondContact O-CB 3.21Å; L132-A135 PolarHBondContact O-N 3.24Å; L132-I136 WeakPolarHBondContact O-CG1 3.46Å; L132-I136 PolarHBondContact O-N 3.38Å; L132-L163 HydrophobicContact CB-CD1 4.49Å; L132-L163 HydrophobicContact CB-CD2 4.37Å; L132-L163 HydrophobicContact CD1-CD1 3.89Å; L132-V282 HydrophobicContact CD1-CG1 4.28Å
133V89.1Confident85.2Confident13 Ų1352.9 Ų52.98%0.07928%0.284CS..Hα-helixtrans-61.4-45.9176.4174.60000110.3R129 P130 A135 I136 K137 L163 E166 A167R129-V133 WeakPolarHBondContact O-CG2 3.38Å; R129-V133 PolarHBondContact O-N 2.94Å; P130-V133 PolarHBondContact O-N 3.29Å; P130-V133 VanDerWaalsContact O-N 3.16Å; V133-A135 VanDerWaalsContact C-N 3.32Å; V133-A135 PolarHBondContact O-N 2.7Å; V133-I136 PolarHBondContact O-N 3.19Å; V133-K137 HydrophobicContact CG1-CD 4.32Å; V133-K137 WeakPolarHBondContact O-CG 3.3Å; V133-K137 PolarHBondContact O-N 3.44Å; V133-L163 HydrophobicContact CG2-CD2 4.09Å; V133-E166 HydrophobicContact CG2-CB 4.4Å; V133-E166 HydrophobicContact CG2-CG 4.13Å; V133-A167 HydrophobicContact CG1-CB 4.3Å
134D89.8Confident85.5Confident76 Ų7651.6 Ų51.641%0.40628%0.281SS..Hα-helixtrans-65.7-35.7177.7-65-25.9000111.7P130 L132 K137 Q138P130-D134 WeakPolarHBondContact O-CB 3.44Å; P130-D134 PolarHBondContact O-N 3.03Å; L132-D134 VanDerWaalsContact C-N 3.35Å; D134-K137 PolarHBondContact O-N 3.27Å; D134-Q138 WeakPolarHBondContact O-CB 3.13Å; D134-Q138 VanDerWaalsContact O-CG 3.27Å; D134-Q138 WeakPolarHBondContact O-CG 3.47Å; D134-Q138 PolarHBondContact O-N 3.43Å
135A91.3Very high85.9Confident31 Ų3153.5 Ų53.526%0.25629%0.289SS..Hα-helixtrans-63.4-42.9173.200000112K131 L132 V133 Q138 K139K131-A135 WeakPolarHBondContact O-CB 3.22Å; K131-A135 PolarHBondContact O-N 3.24Å; L132-A135 WeakPolarHBondContact O-CB 3.21Å; L132-A135 PolarHBondContact O-N 3.24Å; V133-A135 VanDerWaalsContact C-N 3.32Å; V133-A135 PolarHBondContact O-N 2.7Å; A135-Q138 PolarHBondContact O-N 3.39Å; A135-K139 WeakPolarHBondContact O-CG 3.38Å; A135-K139 PolarHBondContact O-N 3.29Å; A135-K139 VanDerWaalsContact O-N 3.1Å
136I92.1Very high86.3Confident0 Ų057.2 Ų57.20%031%0.308CS..Hα-helixtrans-61.9-48.4175.1-64.1164.6000110.2L132 V133 Q138 K139 L140 V152 L163 A167 I280L132-I136 WeakPolarHBondContact O-CG1 3.46Å; L132-I136 PolarHBondContact O-N 3.38Å; V133-I136 PolarHBondContact O-N 3.19Å; I136-Q138 PolarHBondContact O-N 2.99Å; I136-K139 PolarHBondContact O-N 3.47Å; I136-L140 HydrophobicContact CG2-CD1 3.84Å; I136-L140 HydrophobicContact CG2-CG 4.35Å; I136-L140 WeakPolarHBondContact O-CG 3.29Å; I136-L140 PolarHBondContact O-N 3.49Å; I136-V152 HydrophobicContact CD1-CG2 4.11Å; I136-V152 HydrophobicContact CG1-CG2 4.08Å; I136-L163 HydrophobicContact CD1-CB 4.17Å; I136-A167 HydrophobicContact CB-CB 3.89Å; I136-A167 HydrophobicContact CD1-CB 4.49Å; I136-A167 HydrophobicContact CG2-CB 3.52Å; I136-I280 VanDerWaalsContact CA-CD1 3.48Å; I136-I280 HydrophobicContact CB-CD1 4.05Å; I136-I280 HydrophobicContact CG1-CD1 3.58Å; I136-I280 HydrophobicContact CG1-CG2 4.38Å
137K90.8Very high86.6Confident42 Ų4258 Ų5818%0.18332%0.317CS..Hα-helixtrans-57.5-47177.7-70.1176.9178.4-173.40112.1V133 D134 K139 L140 C141 A167 D170 L173V133-K137 HydrophobicContact CG1-CD 4.32Å; V133-K137 WeakPolarHBondContact O-CG 3.3Å; V133-K137 PolarHBondContact O-N 3.44Å; D134-K137 PolarHBondContact O-N 3.27Å; K137-K139 PolarHBondContact O-N 3.33Å; K137-L140 PolarHBondContact O-N 2.98Å; K137-C141 PolarHBondContact O-N 3.08Å; K137-C141 PolarHBondContact O-SG 3.5Å; K137-A167 HydrophobicContact CG-CB 4.31Å; K137-D170 WeakPolarHBondContact CE-OD2 3.29Å; K137-D170 IonicContact NZ-OD2 2.69Å; K137-D170 PolarHBondContact NZ-OD2 3.34Å; K137-L173 HydrophobicContact CG-CD2 4.37Å
138Q91.4Very high86.9Confident134 Ų13457.3 Ų57.363%0.62631%0.314SS*.Hα-helixtrans-60.1-44.7178.8-76.2176.82.400112D134 A135 I136 C141 C142D134-Q138 WeakPolarHBondContact O-CB 3.13Å; D134-Q138 VanDerWaalsContact O-CG 3.27Å; D134-Q138 WeakPolarHBondContact O-CG 3.47Å; D134-Q138 PolarHBondContact O-N 3.43Å; A135-Q138 PolarHBondContact O-N 3.39Å; I136-Q138 PolarHBondContact O-N 2.99Å; Q138-C141 PolarHBondContact O-N 3.1Å; Q138-C142 PolarHBondContact O-N 2.88Å; Q138-C142 PolarHBondContact O-SG 3.43Å
139K91.8Very high87.6Confident81 Ų8154 Ų5435%0.35229%0.293SS..Hα-helixtrans-68.1-34.4178.1-65.3-55.2-174178.90112.9A135 I136 K137 C142 V150 Y278 I280A135-K139 WeakPolarHBondContact O-CG 3.38Å; A135-K139 PolarHBondContact O-N 3.29Å; A135-K139 VanDerWaalsContact O-N 3.1Å; I136-K139 PolarHBondContact O-N 3.47Å; K137-K139 PolarHBondContact O-N 3.33Å; K139-C142 WeakPolarHBondContact O-CB 3.4Å; K139-C142 PolarHBondContact O-N 3.39Å; K139-V150 HydrophobicContact CB-CG1 4.2Å; K139-V150 HydrophobicContact CB-CG2 4.35Å; K139-Y278 HydrophobicContact CB-CG 4.48Å; K139-Y278 HydrophobicContact CD-CD1 3.98Å; K139-Y278 HydrophobicContact CD-CG 4.15Å; K139-I280 HydrophobicContact CB-CD1 4.11Å; K139-I280 HydrophobicContact CG-CD1 3.94Å; K139-I280 HydrophobicContact CG-CG1 4.17Å
140L90.3Very high88Confident1 Ų152.3 Ų52.31%0.00529%0.286CS..Hα-helixtrans-64.3-43.6171.6-73.1170.2000111.4I136 K137 C142 L143 V150 L168 L173 F178 L239 L261I136-L140 HydrophobicContact CG2-CD1 3.84Å; I136-L140 HydrophobicContact CG2-CG 4.35Å; I136-L140 WeakPolarHBondContact O-CG 3.29Å; I136-L140 PolarHBondContact O-N 3.49Å; K137-L140 PolarHBondContact O-N 2.98Å; L140-C142 VanDerWaalsContact C-N 3.25Å; L140-C142 PolarHBondContact O-N 2.85Å; L140-L143 HydrophobicContact CD2-CD1 4.17Å; L140-L143 WeakPolarHBondContact O-CB 3.37Å; L140-L143 PolarHBondContact O-N 2.97Å; L140-L143 VanDerWaalsContact O-N 3.13Å; L140-V150 HydrophobicContact CD2-CB 4.26Å; L140-V150 HydrophobicContact CD2-CG2 4.04Å; L140-L168 HydrophobicContact CD1-CD2 4.3Å; L140-L173 HydrophobicContact CB-CD1 4.37Å; L140-L173 HydrophobicContact CD1-CD2 4.05Å; L140-F178 HydrophobicContact CB-CE2 4.3Å; L140-F178 HydrophobicContact CB-CZ 4.29Å; L140-F178 HydrophobicContact CD2-CZ 4.22Å; L140-L239 HydrophobicContact CD2-CD1 4.22Å; L140-L239 HydrophobicContact CD2-CD2 4.3Å; L140-L261 HydrophobicContact CD1-CD2 4.11Å; L140-L261 HydrophobicContact CD2-CB 4.36Å; L140-L261 HydrophobicContact CD2-CD1 4.3Å; L140-L261 HydrophobicContact CD2-CD2 4.2Å
141C88.3Confident88.4Confident40 Ų4048.9 Ų48.927%0.2726%0.264SS..Hα-helixtrans-62.2-32.3175-64.50000112.5K137 Q138 L143 G144 Y177K137-C141 PolarHBondContact O-N 3.08Å; K137-C141 PolarHBondContact O-SG 3.5Å; Q138-C141 PolarHBondContact O-N 3.1Å; C141-L143 PolarHBondContact O-N 2.77Å; C141-G144 PolarHBondContact O-N 3.03Å; C141-Y177 HydrophobicContact CB-CE1 4.05Å; C141-Y177 HydrophobicContact CB-CE2 4.37Å
142C87.8Confident88.5Confident69 Ų6940.1 Ų40.147%0.46623%0.226SC..THydrogen-bonded Turntrans-67.4-12.7176.6-67.30000114.4Q138 K139 L140 G144 Y278Q138-C142 PolarHBondContact O-N 2.88Å; Q138-C142 PolarHBondContact O-SG 3.43Å; K139-C142 WeakPolarHBondContact O-CB 3.4Å; K139-C142 PolarHBondContact O-N 3.39Å; L140-C142 VanDerWaalsContact C-N 3.25Å; L140-C142 PolarHBondContact O-N 2.85Å; C142-G144 VanDerWaalsContact C-N 3.32Å; C142-Y278 HydrophobicContact CB-CE1 4.32Å; C142-Y278 HydrophobicContact CB-CE2 4.03Å; C142-Y278 PolarHBondContact O-OH 2.58Å
143L83.4Confident88.5Confident3 Ų340.9 Ų40.92%0.01623%0.227CC..THydrogen-bonded Turntrans-72.6-27173.4-66.9171.1000112L140 C141 N145 D146 V150 Q259 Y278L140-L143 HydrophobicContact CD2-CD1 4.17Å; L140-L143 WeakPolarHBondContact O-CB 3.37Å; L140-L143 PolarHBondContact O-N 2.97Å; L140-L143 VanDerWaalsContact O-N 3.13Å; C141-L143 PolarHBondContact O-N 2.77Å; L143-N145 PolarHBondContact O-N 2.81Å; L143-D146 PolarHBondContact O-N 3.14Å; L143-D146 VanDerWaalsContact O-N 3.13Å; L143-V150 HydrophobicContact CD1-CG2 3.77Å; L143-V150 HydrophobicContact CD2-CG2 4.3Å; L143-V150 HydrophobicContact CG-CG2 4.06Å; L143-Q259 HydrophobicContact CD1-CB 4.48Å; L143-Y278 HydrophobicContact CD2-CD2 4.03Å; L143-Y278 HydrophobicContact CD2-CE2 3.9Å; L143-Y278 HydrophobicContact CG-CE2 4.43Å
144G80.5Confident87.9Confident28 Ų2840.5 Ų40.529%0.28923%0.226SC..THydrogen-bonded Turntrans58.3-124.8-17600000111.8C141 C142 Q259C141-G144 PolarHBondContact O-N 3.03Å; C142-G144 VanDerWaalsContact C-N 3.32Å; G144-Q259 PolarHBondContact O-NE2 3.48Å
145N79.1Confident87Confident115 Ų11540.8 Ų40.862%0.61523%0.225SC*.THydrogen-bonded Turntrans-104.1-3.2174-70.2-26.1000112.9L143L143-N145 PolarHBondContact O-N 2.81Å
146D82.1Confident85.9Confident103 Ų10339.9 Ų39.955%0.55122%0.218SC*.SBendtrans-82.3150.4-175.5-66.5-32.3000110.5L143 Q259L143-D146 PolarHBondContact O-N 3.14Å; L143-D146 VanDerWaalsContact O-N 3.13Å; D146-Q259 VanDerWaalsContact O-CG 3.31Å; D146-Q259 WeakPolarHBondContact O-CG 3.18Å; D146-Q259 PolarHBondContact O-NE2 2.94Å
147P86.6Confident84.8Confident62 Ų6240.5 Ų40.540%0.40323%0.225SC..  trans-59.6142.2168.2-2132.9000111.1Q257P147-Q257 HydrophobicContact CB-CB 4.5Å; P147-Q257 HydrophobicContact CG-CB 4.11Å; P147-Q257 WeakPolarHBondContact CG-O 3.32Å
148G89.3Confident84.1Confident1 Ų138.5 Ų38.51%0.0122%0.216CC..EExtended strand (participates in β ladder)trans177174.7178.400000113.5C258 V260 N276G148-C258 PolarHBondContact N-O 3Å; G148-V260 PolarHBondContact O-N 3.16Å; G148-N276 WeakPolarHBondContact CA-O 3.49Å
149W91.1Very high83.5Confident8 Ų833.2 Ų33.23%0.0320%0.197CC..EExtended strand (participates in β ladder)trans-123126.2-165.7-53.292.5000110.4L251 D255 V260 I262 V273 S274 N276 K277 Y278W149-L251 HydrophobicContact CE3-CD1 4.16Å; W149-L251 HydrophobicContact CE3-CD2 4.37Å; W149-L251 HydrophobicContact CE3-CG 4.45Å; W149-L251 HydrophobicContact CH2-CD1 4.11Å; W149-L251 HydrophobicContact CH2-CG 4.17Å; W149-L251 HydrophobicContact CZ3-CD1 3.43Å; W149-L251 VanDerWaalsContact CZ3-CD1 3.43Å; W149-L251 HydrophobicContact CZ3-CD2 4.25Å; W149-L251 HydrophobicContact CZ3-CG 3.84Å; W149-D255 HydrophobicContact CH2-CB 4.39Å; W149-D255 HydrophobicContact CZ2-CB 4.22Å; W149-V260 WeakPolarHBondContact CA-O 3.49Å; W149-V260 HydrophobicContact CD2-CB 4.41Å; W149-V260 HydrophobicContact CE3-CB 3.52Å; W149-V260 HydrophobicContact CE3-CG1 3.9Å; W149-V260 HydrophobicContact CE3-CG2 4.01Å; W149-V260 HydrophobicContact CH2-CB 4.35Å; W149-V260 HydrophobicContact CH2-CG2 3.95Å; W149-V260 HydrophobicContact CZ3-CB 3.5Å; W149-V260 HydrophobicContact CZ3-CG1 3.65Å; W149-V260 HydrophobicContact CZ3-CG2 3.58Å; W149-I262 HydrophobicContact CE3-CD1 3.71Å; W149-I262 HydrophobicContact CE3-CG1 4.4Å; W149-I262 HydrophobicContact CZ3-CD1 4.22Å; W149-V273 HydrophobicContact CH2-CG1 4.03Å; W149-V273 HydrophobicContact CZ2-CB 4.24Å; W149-V273 HydrophobicContact CZ2-CG1 3.25Å; W149-S274 PolarHBondContact NE1-O 3.35Å; W149-N276 PolarHBondContact N-O 3.49Å; W149-K277 HydrophobicContact CB-CG 4.47Å; W149-K277 CarbonylContact O-C 3.58Å; W149-K277 WeakPolarHBondContact O-CA 3.46Å; W149-Y278 PolarHBondContact O-N 3.34Å
150V93.8Very high83.2Confident0 Ų029.8 Ų29.80%018%0.182CC..EExtended strand (participates in β ladder)trans-115120.6168.4177.20000108.1K139 L140 L143 V260 L261 I262 Y278 I280K139-V150 HydrophobicContact CB-CG1 4.2Å; K139-V150 HydrophobicContact CB-CG2 4.35Å; L140-V150 HydrophobicContact CD2-CB 4.26Å; L140-V150 HydrophobicContact CD2-CG2 4.04Å; L143-V150 HydrophobicContact CD1-CG2 3.77Å; L143-V150 HydrophobicContact CD2-CG2 4.3Å; L143-V150 HydrophobicContact CG-CG2 4.06Å; V150-V260 PolarHBondContact N-O 2.85Å; V150-L261 HydrophobicContact CB-CD1 3.8Å; V150-L261 HydrophobicContact CG1-CD1 3.61Å; V150-L261 CarbonylContact O-C 3.59Å; V150-L261 WeakPolarHBondContact O-CA 3.39Å; V150-L261 WeakPolarHBondContact O-CD1 3.36Å; V150-I262 PolarHBondContact O-N 3.39Å; V150-Y278 CarbonylContact C-O 3.56Å; V150-Y278 WeakPolarHBondContact CA-O 3.33Å; V150-Y278 HydrophobicContact CG2-CD2 4.13Å; V150-I280 HydrophobicContact CG1-CD1 4.08Å
151T91.7Very high83Confident0 Ų031.6 Ų31.60%019%0.194CC..EExtended strand (participates in β ladder)trans-112.5118.1-174.1-51.80000110.5T264 T270 Y278 E279 I280T151-T264 HydrophobicContact CG2-CG2 3.64Å; T151-T270 HydrophobicContact CG2-CG2 4.12Å; T151-T270 WeakPolarHBondContact OG1-CG2 3.37Å; T151-Y278 PolarHBondContact N-O 3.27Å; T151-E279 CarbonylContact O-C 3.56Å; T151-I280 PolarHBondContact O-N 2.71Å
152V91.4Very high82.9Confident0 Ų032 Ų320%019%0.194CC..EExtended strand (participates in β ladder)trans-101.6107.5172.3-1770000108.3I136 K160 L261 I262 T263 T264 I280 V282I136-V152 HydrophobicContact CD1-CG2 4.11Å; I136-V152 HydrophobicContact CG1-CG2 4.08Å; V152-K160 HydrophobicContact CG1-CB 4.27Å; V152-L261 HydrophobicContact CG2-CD1 4.13Å; V152-I262 PolarHBondContact N-O 2.71Å; V152-T263 WeakPolarHBondContact O-CA 3.29Å; V152-T264 PolarHBondContact O-N 2.79Å; V152-I280 WeakPolarHBondContact CA-O 3.47Å; V152-I280 HydrophobicContact CG2-CD1 4.5Å; V152-V282 HydrophobicContact CG1-CG2 3.52Å
153Y86.3Confident83Confident51 Ų5129 Ų2920%0.217%0.174CC..EExtended strand (participates in β ladder)trans-121.5151.9-175.579.5-81.8000113.6T264 R267 E279 I280 H281 V282Y153-T264 VanDerWaalsContact CA-O 3.24Å; Y153-T264 WeakPolarHBondContact CA-O 3.44Å; Y153-R267 HydrophobicContact CD1-CB 4.45Å; Y153-R267 HydrophobicContact CD2-CB 4.15Å; Y153-R267 HydrophobicContact CE2-CB 4.27Å; Y153-R267 HydrophobicContact CG-CB 4.24Å; Y153-E279 HydrophobicContact CE1-CB 4.26Å; Y153-I280 WeakPolarHBondContact CD1-O 3.31Å; Y153-I280 PolarHBondContact N-O 3.29Å; Y153-H281 HydrophobicContact CE1-CB 3.95Å; Y153-H281 HydrophobicContact CE2-CB 4.44Å; Y153-H281 AromaticContact CE2-CD2 3.53Å; Y153-H281 AromaticContact CZ-CD2 3.74Å; Y153-V282 PolarHBondContact O-N 3.25Å
154G77.1Confident83.3Confident6 Ų628.9 Ų28.96%0.06217%0.173CC..EExtended strand (participates in β ladder)trans163.3175.5-176.300000113.8K160 T264G154-K160 PolarHBondContact O-NZ 2.83Å; G154-T264 PolarHBondContact N-O 2.95Å
155M72.1Confident83.7Confident81 Ų8127.7 Ų27.740%0.39916%0.161SC..SBendtrans-57.8153.8-173.9-171.3172.3152.300113.8G157 C158 K160M155-G157 PolarHBondContact O-N 2.86Å; M155-C158 HydrophobicContact CB-CB 4.46Å; M155-C158 WeakPolarHBondContact O-CB 3.38Å; M155-C158 PolarHBondContact O-N 3.39Å; M155-C158 PolarHBondContact O-SG 2.89Å; M155-K160 PolarHBondContact O-NZ 3.33Å
156A67.6Low84.1Confident12 Ų1223.6 Ų23.610%0.09914%0.138CC..THydrogen-bonded Turntrans-58.4136.3174.400000111C158 L440A156-C158 VanDerWaalsContact C-N 3.28Å; A156-C158 PolarHBondContact O-N 3.44Å; A156-L440 HydrophobicContact CB-CD1 4.08Å
157G68.2Low84.4Confident14 Ų1418.7 Ų18.714%0.14411%0.112CC..THydrogen-bonded Turntrans73.33.6-179.500000116.5M155 G159 P321M155-G157 PolarHBondContact O-N 2.86Å; G157-G159 PolarHBondContact O-N 2.79Å; G157-P321 WeakPolarHBondContact O-CD 3.33Å
158C77.1Confident84.5Confident0 Ų015.8 Ų15.80%09%0.093CC..SBendtrans-76.7-0.7-17975.80000115.4R129 M155 A156 K160 E283 S284R129-C158 PolarHBondContact NH1-O 2.8Å; M155-C158 HydrophobicContact CB-CB 4.46Å; M155-C158 WeakPolarHBondContact O-CB 3.38Å; M155-C158 PolarHBondContact O-N 3.39Å; M155-C158 PolarHBondContact O-SG 2.89Å; A156-C158 VanDerWaalsContact C-N 3.28Å; A156-C158 PolarHBondContact O-N 3.44Å; C158-K160 VanDerWaalsContact SG-CG 3.51Å; C158-E283 WeakPolarHBondContact CB-O 3.5Å; C158-S284 WeakPolarHBondContact CB-O 2.82Å
159G78.6Confident84.3Confident22 Ų2217.3 Ų17.323%0.22710%0.098CC..SBendtrans94.619.8174.500000116.2G157 T161 V162 L163G157-G159 PolarHBondContact O-N 2.79Å; G159-T161 PolarHBondContact O-N 3.38Å; G159-V162 PolarHBondContact O-N 3.43Å; G159-L163 WeakPolarHBondContact O-CG 3.45Å; G159-L163 PolarHBondContact O-N 3.27Å
160K85.4Confident84Confident10 Ų1018.9 Ų18.94%0.04311%0.107CC..Hα-helixtrans-54.3-52.2-179.9-55.9-178.3-68.2-82.60113.3V152 G154 M155 C158 V162 L163 T164 T264 V282V152-K160 HydrophobicContact CG1-CB 4.27Å; G154-K160 PolarHBondContact O-NZ 2.83Å; M155-K160 PolarHBondContact O-NZ 3.33Å; C158-K160 VanDerWaalsContact SG-CG 3.51Å; K160-V162 VanDerWaalsContact C-N 3.3Å; K160-V162 PolarHBondContact O-N 2.83Å; K160-L163 PolarHBondContact O-N 3.38Å; K160-T164 WeakPolarHBondContact O-CB 3.34Å; K160-T164 PolarHBondContact O-N 2.83Å; K160-T164 PolarHBondContact O-OG1 3.33Å; K160-T264 WeakPolarHBondContact CD-O 3.31Å; K160-T264 WeakPolarHBondContact CE-O 3.4Å; K160-V282 HydrophobicContact CG-CB 4.44Å; K160-V282 HydrophobicContact CG-CG2 4.45Å
161T86.3Confident83.6Confident39 Ų3921.5 Ų21.524%0.23912%0.119CC..Hα-helixtrans-55.5-45.9178.5-55.10000111.4P120 G159 T164 A165 W184 D243P120-T161 HydrophobicContact CG-CG2 4.26Å; G159-T161 PolarHBondContact O-N 3.38Å; T161-T164 PolarHBondContact O-N 3.46Å; T161-A165 WeakPolarHBondContact O-CB 3.5Å; T161-A165 PolarHBondContact O-N 2.94Å; T161-W184 HydrophobicContact CG2-CH2 4.1Å; T161-W184 HydrophobicContact CG2-CZ2 3.68Å; T161-D243 WeakPolarHBondContact CG2-OD2 3.39Å; T161-D243 PolarHBondContact OG1-OD1 2.79Å
162V86.6Confident83.2Confident48 Ų4829 Ų2929%0.29115%0.154SC..Hα-helixtrans-67.3-42.6179.8-175.80000111.7P123 F126 G159 K160 T164 A165 E166P123-V162 HydrophobicContact CG-CG1 3.98Å; P123-V162 HydrophobicContact CG-CG2 3.89Å; F126-V162 HydrophobicContact CD2-CG1 3.82Å; F126-V162 HydrophobicContact CE2-CG1 3.67Å; G159-V162 PolarHBondContact O-N 3.43Å; K160-V162 VanDerWaalsContact C-N 3.3Å; K160-V162 PolarHBondContact O-N 2.83Å; V162-T164 VanDerWaalsContact C-N 3.32Å; V162-T164 PolarHBondContact O-N 2.89Å; V162-A165 PolarHBondContact O-N 2.7Å; V162-E166 WeakPolarHBondContact O-CB 3.46Å; V162-E166 PolarHBondContact O-N 2.9Å
163L88.5Confident83Confident6 Ų629.3 Ų29.33%0.03116%0.156CC..Hα-helixtrans-61.9-41.5176.5-76.1171.8000112.3R129 L132 V133 I136 G159 K160 E166 A167 V282R129-L163 HydrophobicContact CB-CD2 3.84Å; R129-L163 HydrophobicContact CG-CD2 4.44Å; L132-L163 HydrophobicContact CB-CD1 4.49Å; L132-L163 HydrophobicContact CB-CD2 4.37Å; L132-L163 HydrophobicContact CD1-CD1 3.89Å; V133-L163 HydrophobicContact CG2-CD2 4.09Å; I136-L163 HydrophobicContact CD1-CB 4.17Å; G159-L163 WeakPolarHBondContact O-CG 3.45Å; G159-L163 PolarHBondContact O-N 3.27Å; K160-L163 PolarHBondContact O-N 3.38Å; L163-E166 PolarHBondContact O-N 2.96Å; L163-A167 PolarHBondContact O-N 2.84Å; L163-V282 HydrophobicContact CD1-CG1 3.72Å; L163-V282 HydrophobicContact CD1-CG2 3.99Å
164T89.8Confident83Confident0 Ų026.9 Ų26.90%015%0.146CC..Hα-helixtrans-66.7-46.9179.7-54.30000110.4K160 T161 V162 E166 A167 L168 W184 V241 L261 T263K160-T164 WeakPolarHBondContact O-CB 3.34Å; K160-T164 PolarHBondContact O-N 2.83Å; K160-T164 PolarHBondContact O-OG1 3.33Å; T161-T164 PolarHBondContact O-N 3.46Å; V162-T164 VanDerWaalsContact C-N 3.32Å; V162-T164 PolarHBondContact O-N 2.89Å; T164-E166 VanDerWaalsContact C-N 3.29Å; T164-E166 PolarHBondContact O-N 2.91Å; T164-A167 PolarHBondContact O-N 2.82Å; T164-L168 WeakPolarHBondContact O-CG 3.45Å; T164-L168 PolarHBondContact O-N 3.14Å; T164-W184 HydrophobicContact CG2-CH2 4.14Å; T164-W184 HydrophobicContact CG2-CZ3 4.08Å; T164-V241 HydrophobicContact CG2-CG1 4.07Å; T164-L261 HydrophobicContact CG2-CD1 4.21Å; T164-L261 HydrophobicContact CG2-CD2 3.31Å; T164-L261 HydrophobicContact CG2-CG 3.61Å; T164-T263 HydrophobicContact CG2-CG2 3.97Å; T164-T263 VanDerWaalsContact OG1-CG2 3.26Å; T164-T263 WeakPolarHBondContact OG1-CG2 3.01Å
165A88.2Confident83.4Confident4 Ų432 Ų323%0.03317%0.169CC..Hα-helixtrans-62.3-34.2174.300000112.6V119 P120 T161 V162 R169 W184V119-A165 HydrophobicContact CG1-CB 3.87Å; P120-A165 HydrophobicContact CG-CB 4.12Å; T161-A165 WeakPolarHBondContact O-CB 3.5Å; T161-A165 PolarHBondContact O-N 2.94Å; V162-A165 PolarHBondContact O-N 2.7Å; A165-R169 WeakPolarHBondContact O-CG 3.28Å; A165-W184 HydrophobicContact CB-CH2 4.34Å; A165-W184 HydrophobicContact CB-CZ3 4.14Å
166E87.9Confident83.9Confident29 Ų2930.4 Ų30.414%0.13617%0.173CC..Hα-helixtrans-71.1-37.8176.4-173.565.3-163.200112.7R122 F126 V133 V162 L163 T164 L168 R169R122-E166 IonicContact CZ-OE1 2.76Å; R122-E166 IonicContact CZ-OE2 2.64Å; R122-E166 IonicContact NE-OE1 3.79Å; R122-E166 IonicContact NE-OE2 3.76Å; R122-E166 PolarHBondContact NE-OE2 2.97Å; R122-E166 IonicContact NH2-OE1 3.26Å; R122-E166 PolarHBondContact NH2-OE1 2.94Å; R122-E166 IonicContact NH2-OE2 3.96Å; R122-E166 PolarHBondContact NH2-OE2 3.23Å; F126-E166 HydrophobicContact CE1-CG 4.36Å; F126-E166 HydrophobicContact CZ-CB 4.27Å; F126-E166 HydrophobicContact CZ-CG 3.83Å; V133-E166 HydrophobicContact CG2-CB 4.4Å; V133-E166 HydrophobicContact CG2-CG 4.13Å; V162-E166 WeakPolarHBondContact O-CB 3.46Å; V162-E166 PolarHBondContact O-N 2.9Å; L163-E166 PolarHBondContact O-N 2.96Å; T164-E166 VanDerWaalsContact C-N 3.29Å; T164-E166 PolarHBondContact O-N 2.91Å; E166-L168 PolarHBondContact O-N 3.34Å; E166-R169 WeakPolarHBondContact O-CB 3.48Å; E166-R169 PolarHBondContact O-N 2.82Å; E166-R169 VanDerWaalsContact O-N 3.1Å; E166-R169 VanDerWaalsContact OE2-CD 3.26Å; E166-R169 WeakPolarHBondContact OE2-CD 3.44Å; E166-R169 IonicContact OE2-NE 3.53Å
167A88.9Confident84.7Confident0 Ų034.2 Ų34.20%019%0.186CC..Hα-helixtrans-59.4-32.9176.400000112.6V133 I136 K137 L163 T164 R169 L173V133-A167 HydrophobicContact CG1-CB 4.3Å; I136-A167 HydrophobicContact CB-CB 3.89Å; I136-A167 HydrophobicContact CD1-CB 4.49Å; I136-A167 HydrophobicContact CG2-CB 3.52Å; K137-A167 HydrophobicContact CG-CB 4.31Å; L163-A167 PolarHBondContact O-N 2.84Å; T164-A167 PolarHBondContact O-N 2.82Å; A167-R169 VanDerWaalsContact C-N 3.33Å; A167-L173 WeakPolarHBondContact O-CD2 3.23Å
168L88.1Confident85.7Confident0 Ų033.6 Ų33.60%018%0.179CC..THydrogen-bonded Turntrans-80.6-8.4179.7-61168000113.8L114 L140 T164 E166 D170 L174 V182 W184 L239 V241 L261L114-L168 HydrophobicContact CD2-CB 4.2Å; L140-L168 HydrophobicContact CD1-CD2 4.3Å; T164-L168 WeakPolarHBondContact O-CG 3.45Å; T164-L168 PolarHBondContact O-N 3.14Å; E166-L168 PolarHBondContact O-N 3.34Å; L168-D170 PolarHBondContact O-N 3.26Å; L168-L174 VanDerWaalsContact O-CD1 3.3Å; L168-L174 WeakPolarHBondContact O-CD1 3.46Å; L168-L174 WeakPolarHBondContact O-CG 3.4Å; L168-V182 HydrophobicContact CD1-CG1 4.08Å; L168-W184 HydrophobicContact CD1-CE3 4.44Å; L168-W184 HydrophobicContact CD1-CZ3 4.26Å; L168-L239 HydrophobicContact CD2-CD2 3.39Å; L168-V241 HydrophobicContact CD1-CG2 3.82Å; L168-L261 HydrophobicContact CD1-CD2 4.28Å; L168-L261 HydrophobicContact CD2-CD2 4.33Å; L168-L261 HydrophobicContact CG-CD2 4.47Å
169R85.9Confident86Confident33 Ų3335.9 Ų35.913%0.12519%0.194CC..THydrogen-bonded Turntrans-80.73.9178.8-71.5169.2-173-97.1-10.2113.9M106 L114 P120 A165 E166 A167M106-R169 HydrophobicContact CE-CB 4.09Å; M106-R169 HydrophobicContact CE-CG 3.63Å; L114-R169 HydrophobicContact CD1-CB 4.37Å; L114-R169 HydrophobicContact CD1-CG 3.57Å; P120-R169 PolarHBondContact O-NH2 3.31Å; A165-R169 WeakPolarHBondContact O-CG 3.28Å; E166-R169 WeakPolarHBondContact O-CB 3.48Å; E166-R169 PolarHBondContact O-N 2.82Å; E166-R169 VanDerWaalsContact O-N 3.1Å; E166-R169 VanDerWaalsContact OE2-CD 3.26Å; E166-R169 WeakPolarHBondContact OE2-CD 3.44Å; E166-R169 IonicContact OE2-NE 3.53Å; A167-R169 VanDerWaalsContact C-N 3.33Å
170D84.8Confident86.2Confident42 Ų4235.9 Ų35.923%0.22519%0.194CC..  trans-86.1121.7177.5-166.7-8.8000111.8K137 L168 Q172 L173 L174K137-D170 WeakPolarHBondContact CE-OD2 3.29Å; K137-D170 IonicContact NZ-OD2 2.69Å; K137-D170 PolarHBondContact NZ-OD2 3.34Å; L168-D170 PolarHBondContact O-N 3.26Å; D170-Q172 VanDerWaalsContact C-N 3.33Å; D170-Q172 PolarHBondContact O-N 2.9Å; D170-Q172 PolarHBondContact OD1-N 3.26Å; D170-L173 HydrophobicContact CB-CB 4.09Å; D170-L173 PolarHBondContact O-N 3.24Å; D170-L174 PolarHBondContact O-N 3.49Å
171H84.7Confident86.3Confident55 Ų5535.9 Ų35.926%0.25520%0.197SC..Hα-helixtrans-60.4-41.3179.8-178.946.2000112.7T107 Y109 V110 L173 L174 E175T107-H171 HydrophobicContact CG2-CB 4.29Å; Y109-H171 AromaticContact CD1-CE1 3.71Å; Y109-H171 AromaticContact CD1-ND1 3.49Å; Y109-H171 WeakPolarHBondContact CD1-ND1 3.36Å; V110-H171 HydrophobicContact CG2-CB 3.72Å; H171-L173 VanDerWaalsContact C-N 3.31Å; H171-L173 PolarHBondContact O-N 3.41Å; H171-L174 PolarHBondContact O-N 2.97Å; H171-E175 IonicContact CE1-OE2 2.69Å; H171-E175 PolarHBondContact CE1-OE2 2.87Å; H171-E175 IonicContact NE2-OE2 2.96Å; H171-E175 PolarHBondContact NE2-OE2 3.46Å; H171-E175 WeakPolarHBondContact O-CB 3.5Å; H171-E175 PolarHBondContact O-N 3.46Å
172Q84.9Confident86.5Confident156 Ų15634.1 Ų34.173%0.72919%0.186SC*.Hα-helixtrans-67-35.4-176.5-66.7-176.7-5.100112D170 G176D170-Q172 VanDerWaalsContact C-N 3.33Å; D170-Q172 PolarHBondContact O-N 2.9Å; D170-Q172 PolarHBondContact OD1-N 3.26Å; Q172-G176 PolarHBondContact O-N 2.92Å; Q172-G176 VanDerWaalsContact O-N 3.15Å
173L86.8Confident86.7Confident7 Ų732.7 Ų32.74%0.03718%0.176CC..Hα-helixtrans-67.5-49.1177.4-176.372.6000111K137 L140 A167 D170 H171 Y177 F178K137-L173 HydrophobicContact CG-CD2 4.37Å; L140-L173 HydrophobicContact CB-CD1 4.37Å; L140-L173 HydrophobicContact CD1-CD2 4.05Å; A167-L173 WeakPolarHBondContact O-CD2 3.23Å; D170-L173 HydrophobicContact CB-CB 4.09Å; D170-L173 PolarHBondContact O-N 3.24Å; H171-L173 VanDerWaalsContact C-N 3.31Å; H171-L173 PolarHBondContact O-N 3.41Å; L173-Y177 HydrophobicContact CD1-CD2 4.3Å; L173-Y177 WeakPolarHBondContact O-CB 3.49Å; L173-Y177 PolarHBondContact O-N 2.89Å; L173-F178 HydrophobicContact CD1-CE2 4.14Å; L173-F178 HydrophobicContact CD2-CE2 4.44Å; L173-F178 HydrophobicContact CG-CD2 4.23Å; L173-F178 HydrophobicContact CG-CE2 4.09Å
174L86.3Confident86.9Confident0 Ų032.6 Ų32.60%018%0.175CC..Hα-helixtrans-67.1-45.8-176.8-68.6-176.3000112.5Y109 V110 I113 L114 L168 D170 H171 F178 V182Y109-L174 HydrophobicContact CE1-CB 4.34Å; V110-L174 HydrophobicContact CG1-CD1 4.25Å; V110-L174 HydrophobicContact CG2-CD1 4.27Å; I113-L174 HydrophobicContact CG2-CD1 4.31Å; L114-L174 HydrophobicContact CD2-CD1 4.31Å; L114-L174 HydrophobicContact CG-CD1 4.48Å; L168-L174 VanDerWaalsContact O-CD1 3.3Å; L168-L174 WeakPolarHBondContact O-CD1 3.46Å; L168-L174 WeakPolarHBondContact O-CG 3.4Å; D170-L174 PolarHBondContact O-N 3.49Å; H171-L174 PolarHBondContact O-N 2.97Å; L174-F178 CarbonylContact O-C 3.59Å; L174-F178 WeakPolarHBondContact O-CA 3.3Å; L174-F178 PolarHBondContact O-N 3.07Å; L174-F178 VanDerWaalsContact O-O 3.07Å; L174-V182 HydrophobicContact CD2-CG2 3.44Å; L174-V182 VanDerWaalsContact CD2-CG2 3.44Å
175E84.9Confident86.8Confident113 Ų11333 Ų3353%0.52818%0.177SC..Hα-helixtrans-70.2-39.9-179.3-171.7179.3-166.700112Y109 H171Y109-E175 HydrophobicContact CE1-CB 4.2Å; H171-E175 IonicContact CE1-OE2 2.69Å; H171-E175 PolarHBondContact CE1-OE2 2.87Å; H171-E175 IonicContact NE2-OE2 2.96Å; H171-E175 PolarHBondContact NE2-OE2 3.46Å; H171-E175 WeakPolarHBondContact O-CB 3.5Å; H171-E175 PolarHBondContact O-N 3.46Å
176G82.5Confident86.7Confident48 Ų4833.9 Ų33.950%0.49518%0.184SC..Hα-helixtrans-76-48.5-176.300000114Q172Q172-G176 PolarHBondContact O-N 2.92Å; Q172-G176 VanDerWaalsContact O-N 3.15Å
177Y84.7Confident86.6Confident93 Ų9332.5 Ų32.537%0.36518%0.177SC..THydrogen-bonded Turntrans-106.1-32.7-168.8-67.8-95.5000113.2C141 L173 P179C141-Y177 HydrophobicContact CB-CE1 4.05Å; C141-Y177 HydrophobicContact CB-CE2 4.37Å; L173-Y177 HydrophobicContact CD1-CD2 4.3Å; L173-Y177 WeakPolarHBondContact O-CB 3.49Å; L173-Y177 PolarHBondContact O-N 2.89Å; Y177-P179 WeakPolarHBondContact O-CD 3.2Å
178F89.2Confident86.3Confident0 Ų032.6 Ų32.60%018%0.178CC..  trans-125.454.9-175.6-50.5-68.4000113.7L140 L173 L174 G180 G181 R237 L239 Q259L140-F178 HydrophobicContact CB-CE2 4.3Å; L140-F178 HydrophobicContact CB-CZ 4.29Å; L140-F178 HydrophobicContact CD2-CZ 4.22Å; L173-F178 HydrophobicContact CD1-CE2 4.14Å; L173-F178 HydrophobicContact CD2-CE2 4.44Å; L173-F178 HydrophobicContact CG-CD2 4.23Å; L173-F178 HydrophobicContact CG-CE2 4.09Å; L174-F178 CarbonylContact O-C 3.59Å; L174-F178 WeakPolarHBondContact O-CA 3.3Å; L174-F178 PolarHBondContact O-N 3.07Å; L174-F178 VanDerWaalsContact O-O 3.07Å; F178-G180 PolarHBondContact O-N 2.94Å; F178-G181 PolarHBondContact O-N 3Å; F178-R237 CarbonylContact C-O 3.59Å; F178-R237 WeakPolarHBondContact CA-O 3.43Å; F178-L239 HydrophobicContact CD1-CB 3.72Å; F178-L239 HydrophobicContact CE1-CB 3.98Å; F178-L239 HydrophobicContact CE1-CD1 3.9Å; F178-L239 HydrophobicContact CE1-CG 4.37Å; F178-L239 HydrophobicContact CE2-CD2 4.3Å; F178-L239 HydrophobicContact CG-CB 4.01Å; F178-L239 HydrophobicContact CZ-CD1 4.09Å; F178-L239 HydrophobicContact CZ-CD2 4.32Å; F178-Q259 HydrophobicContact CE1-CB 4.42Å
179P83.9Confident85.8Confident48 Ų4837.5 Ų37.531%0.31220%0.199SC..THydrogen-bonded Turntrans-68.5-16.8-178.229.1-34.5000112.8Y177 G181 R237Y177-P179 WeakPolarHBondContact O-CD 3.2Å; P179-G181 PolarHBondContact O-N 3.2Å; P179-R237 VanDerWaalsContact CG-CZ 3.49Å; P179-R237 VanDerWaalsContact CG-NH2 3.25Å
180G80.9Confident85.4Confident23 Ų2337.2 Ų37.224%0.23720%0.2CC..THydrogen-bonded Turntrans-73.1-4.8172.600000113.9F178 P236 R237F178-G180 PolarHBondContact O-N 2.94Å; G180-P236 WeakPolarHBondContact CA-O 3.42Å; G180-R237 PolarHBondContact N-O 2.96Å
181G87.6Confident84.9Confident10 Ų1038.6 Ų38.610%0.10321%0.207CC..  trans96.3-176.3-179.600000113.6F178 P179 S238 L239F178-G181 PolarHBondContact O-N 3Å; P179-G181 PolarHBondContact O-N 3.2Å; G181-S238 VanDerWaalsContact O-CA 3.25Å; G181-S238 WeakPolarHBondContact O-CA 3.48Å; G181-S238 WeakPolarHBondContact O-CB 3.44Å; G181-L239 PolarHBondContact O-N 3.1Å
182V91.1Very high84.4Confident2 Ų239.3 Ų39.31%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-127.9138.2-179.2179.90000108.2I113 G117 V119 L168 L174 L239 V241I113-V182 HydrophobicContact CG2-CG2 4.47Å; G117-V182 WeakPolarHBondContact CA-O 3.46Å; V119-V182 HydrophobicContact CG2-CG1 4.12Å; L168-V182 HydrophobicContact CD1-CG1 4.08Å; L174-V182 HydrophobicContact CD2-CG2 3.44Å; L174-V182 VanDerWaalsContact CD2-CG2 3.44Å; V182-L239 CarbonylContact C-O 3.6Å; V182-L239 WeakPolarHBondContact CA-O 3.33Å; V182-L239 HydrophobicContact CG2-CB 4.33Å; V182-V241 HydrophobicContact CG1-CG2 3.72Å
183H91.7Very high83.8Confident18 Ų1832.4 Ų32.48%0.08318%0.179CC..EExtended strand (participates in β ladder)trans-123.5119.8177.1-59-65.6000110.4L206 Y235 L239 L240 V241H183-L206 WeakPolarHBondContact CE1-CD2 3.36Å; H183-Y235 AromaticContact NE2-CD1 3.8Å; H183-Y235 AromaticContact NE2-CG 3.77Å; H183-L239 PolarHBondContact N-O 3.1Å; H183-L240 HydrophobicContact CB-CD1 4.11Å; H183-V241 PolarHBondContact O-N 3.34Å
184W91.3Very high83.4Confident3 Ų332.6 Ų32.61%0.01118%0.183CC..EExtended strand (participates in β ladder)trans-104.3133.3-176.6-171.7-72.8000112.3G117 G118 V119 P120 T161 T164 A165 L168 R205 V241 D243G117-W184 WeakPolarHBondContact O-CB 3.39Å; G117-W184 PolarHBondContact O-N 2.95Å; G118-W184 WeakPolarHBondContact O-CB 3.5Å; V119-W184 HydrophobicContact CG1-CE3 4.11Å; V119-W184 HydrophobicContact CG1-CZ3 4.44Å; V119-W184 HydrophobicContact CG2-CB 4.24Å; V119-W184 HydrophobicContact CG2-CE3 4.27Å; P120-W184 HydrophobicContact CG-CD2 4.36Å; P120-W184 HydrophobicContact CG-CH2 4.26Å; P120-W184 HydrophobicContact CG-CZ2 3.95Å; T161-W184 HydrophobicContact CG2-CH2 4.1Å; T161-W184 HydrophobicContact CG2-CZ2 3.68Å; T164-W184 HydrophobicContact CG2-CH2 4.14Å; T164-W184 HydrophobicContact CG2-CZ3 4.08Å; A165-W184 HydrophobicContact CB-CH2 4.34Å; A165-W184 HydrophobicContact CB-CZ3 4.14Å; L168-W184 HydrophobicContact CD1-CE3 4.44Å; L168-W184 HydrophobicContact CD1-CZ3 4.26Å; W184-R205 PolarHBondContact O-NH1 2.85Å; W184-V241 HydrophobicContact CD2-CB 4.15Å; W184-V241 HydrophobicContact CD2-CG1 3.97Å; W184-V241 HydrophobicContact CE3-CB 3.73Å; W184-V241 HydrophobicContact CE3-CG1 3.44Å; W184-V241 VanDerWaalsContact CE3-CG1 3.44Å; W184-V241 HydrophobicContact CE3-CG2 4.14Å; W184-V241 HydrophobicContact CH2-CG1 3.92Å; W184-V241 HydrophobicContact CZ2-CG1 4.38Å; W184-V241 HydrophobicContact CZ3-CB 4.22Å; W184-V241 HydrophobicContact CZ3-CG1 3.43Å; W184-V241 VanDerWaalsContact CZ3-CG1 3.43Å; W184-D243 HydrophobicContact CZ2-CB 3.7Å
185I89.6Confident83.3Confident8 Ų832.6 Ų32.64%0.04118%0.183CC..EExtended strand (participates in β ladder)trans-133.2124.9179-54.5174000110.4V187 L202 L240 V241 L242 D243 F254I185-V187 HydrophobicContact CB-CG2 4.48Å; I185-V187 HydrophobicContact CG2-CG2 3.84Å; I185-V187 PolarHBondContact O-N 3.09Å; I185-L202 HydrophobicContact CD1-CB 4.06Å; I185-L202 HydrophobicContact CD1-CD1 3.44Å; I185-L202 VanDerWaalsContact CD1-CD1 3.44Å; I185-L202 HydrophobicContact CD1-CD2 3.26Å; I185-L202 HydrophobicContact CD1-CG 3.72Å; I185-L202 HydrophobicContact CG1-CD1 3.86Å; I185-L240 HydrophobicContact CD1-CD1 3.8Å; I185-L240 HydrophobicContact CG1-CD1 4.41Å; I185-V241 PolarHBondContact N-O 3.22Å; I185-L242 HydrophobicContact CB-CD2 4.28Å; I185-L242 HydrophobicContact CD1-CD2 4.13Å; I185-D243 PolarHBondContact O-N 3.03Å; I185-F254 HydrophobicContact CD1-CE1 4.01Å; I185-F254 HydrophobicContact CD1-CZ 4.47Å
186S85.6Confident83.2Confident24 Ų2427.6 Ų27.617%0.16816%0.16CC..EExtended strand (participates in β ladder)trans-86.3105167.8-57.10000109.5K198S186-K198 PolarHBondContact O-NZ 3.09Å; S186-K198 VanDerWaalsContact O-NZ 3.07Å
187V85.4Confident83.3Confident0 Ų026.1 Ų26.10%014%0.14CC..  trans-90.5-62.6-176.8-176.90000109.7I185 Q190 L242 D243 V250 F254I185-V187 HydrophobicContact CB-CG2 4.48Å; I185-V187 HydrophobicContact CG2-CG2 3.84Å; I185-V187 PolarHBondContact O-N 3.09Å; V187-Q190 HydrophobicContact CG1-CG 4.1Å; V187-Q190 WeakPolarHBondContact O-CG 3.28Å; V187-Q190 PolarHBondContact O-NE2 3.02Å; V187-L242 HydrophobicContact CG2-CD2 4.23Å; V187-D243 PolarHBondContact N-O 3.49Å; V187-D243 VanDerWaalsContact N-O 3.09Å; V187-V250 HydrophobicContact CG1-CG1 3.68Å; V187-F254 HydrophobicContact CG2-CE2 4.34Å
188G82.6Confident83.4Confident2 Ų223.2 Ų23.22%0.02113%0.13CC..  trans69.7-161.7-177.900000113.7Q190 D243 D244 W246 D392G188-Q190 PolarHBondContact O-N 3.29Å; G188-D243 PolarHBondContact N-O 2.84Å; G188-D244 CarbonylContact C-O 3.58Å; G188-D244 WeakPolarHBondContact CA-O 3.23Å; G188-D244 PolarHBondContact N-O 2.88Å; G188-W246 VanDerWaalsContact C-CD1 3.44Å; G188-D392 VanDerWaalsContact CA-OD2 3.27Å; G188-D392 WeakPolarHBondContact CA-OD2 3.23Å
189K76.7Confident83.3Confident102 Ų10223.2 Ų23.244%0.44313%0.13SC..SBendtrans-83.6106.8178.3-177.559.5175.1173.60109.7W246 D247 D392K189-W246 HydrophobicContact CB-CD2 3.97Å; K189-W246 HydrophobicContact CB-CG 3.91Å; K189-W246 HydrophobicContact CD-CB 3.64Å; K189-W246 HydrophobicContact CD-CD2 4.06Å; K189-W246 HydrophobicContact CD-CE3 4.21Å; K189-W246 HydrophobicContact CD-CG 3.84Å; K189-W246 HydrophobicContact CG-CD2 4.4Å; K189-W246 HydrophobicContact CG-CG 4.42Å; K189-D247 IonicContact NZ-OD1 3.23Å; K189-D247 PolarHBondContact NZ-OD1 3.05Å; K189-D247 IonicContact NZ-OD2 3.33Å; K189-D247 PolarHBondContact NZ-OD2 2.99Å; K189-D392 PolarHBondContact N-OD2 3.35Å
190Q79.1Confident83.4Confident27 Ų2721.3 Ų21.313%0.12612%0.117CC..  trans-116.3153.3-175.2-61-58.9-3900112.6V187 G188 L195V187-Q190 HydrophobicContact CG1-CG 4.1Å; V187-Q190 WeakPolarHBondContact O-CG 3.28Å; V187-Q190 PolarHBondContact O-NE2 3.02Å; G188-Q190 PolarHBondContact O-N 3.29Å; Q190-L195 HydrophobicContact CB-CB 4.38Å
191D73.6Confident83.6Confident71 Ų7123.1 Ų23.138%0.3812%0.121SC..  trans-95.5-179.5158.360.63.7000110.1A193 G194 L195 H524D191-A193 PolarHBondContact O-N 3.04Å; D191-G194 PolarHBondContact O-N 3.27Å; D191-G194 WeakPolarHBondContact OD1-CA 3.48Å; D191-G194 PolarHBondContact OD1-N 2.74Å; D191-L195 WeakPolarHBondContact O-CB 3.45Å; D191-L195 PolarHBondContact O-N 2.97Å; D191-H524 IonicContact OD2-CE1 2.74Å; D191-H524 PolarHBondContact OD2-CE1 3.08Å; D191-H524 IonicContact OD2-NE2 2.78Å
192K73.9Confident83.6Confident70 Ų7022.7 Ų22.730%0.30412%0.116SC..Hα-helixtrans-61.1-43.4-177.6-75.7-166.7177-179.30112.5L195 L196 I220 W249 D614K192-L195 PolarHBondContact O-N 2.95Å; K192-L196 PolarHBondContact O-N 3.32Å; K192-I220 HydrophobicContact CB-CD1 3.96Å; K192-I220 HydrophobicContact CD-CD1 4.44Å; K192-I220 HydrophobicContact CG-CD1 4.13Å; K192-W249 HydrophobicContact CB-CH2 4.46Å; K192-W249 HydrophobicContact CG-CH2 3.91Å; K192-W249 HydrophobicContact CG-CZ3 3.83Å; K192-D614 WeakPolarHBondContact CD-OD2 3.48Å; K192-D614 WeakPolarHBondContact CE-OD2 3.21Å; K192-D614 IonicContact NZ-OD1 2.82Å; K192-D614 PolarHBondContact NZ-OD1 3.09Å; K192-D614 IonicContact NZ-OD2 3.13Å; K192-D614 PolarHBondContact NZ-OD2 3.49Å
193A73.1Confident83.4Confident11 Ų1122.9 Ų22.99%0.09112%0.117CC..Hα-helixtrans-68.3-42.7-178.800000111.8D191 L196 I197 H524D191-A193 PolarHBondContact O-N 3.04Å; A193-L196 WeakPolarHBondContact O-CB 3.48Å; A193-L196 PolarHBondContact O-N 2.85Å; A193-I197 WeakPolarHBondContact O-CG1 3.48Å; A193-I197 PolarHBondContact O-N 2.87Å; A193-I197 VanDerWaalsContact O-N 3.12Å; A193-H524 HydrophobicContact CB-CB 4.14Å
194G77.3Confident83Confident12 Ų1226 Ų2612%0.12414%0.141CC..Hα-helixtrans-61.6-42.4173.300000112.4D191 L196 I197 K198D191-G194 PolarHBondContact O-N 3.27Å; D191-G194 WeakPolarHBondContact OD1-CA 3.48Å; D191-G194 PolarHBondContact OD1-N 2.74Å; G194-L196 PolarHBondContact O-N 3.28Å; G194-I197 PolarHBondContact O-N 2.92Å; G194-K198 WeakPolarHBondContact O-CG 3.5Å; G194-K198 PolarHBondContact O-N 2.84Å; G194-K198 VanDerWaalsContact O-N 3.13Å
195L84.9Confident82.5Confident0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-62.1-42.7174.8-179.259.4000112.1Q190 D191 K192 I197 K198 L199 W249 V250 A253 F254Q190-L195 HydrophobicContact CB-CB 4.38Å; D191-L195 WeakPolarHBondContact O-CB 3.45Å; D191-L195 PolarHBondContact O-N 2.97Å; K192-L195 PolarHBondContact O-N 2.95Å; L195-I197 VanDerWaalsContact C-N 3.32Å; L195-I197 PolarHBondContact O-N 3.24Å; L195-K198 WeakPolarHBondContact O-CB 3.07Å; L195-K198 PolarHBondContact O-N 2.93Å; L195-K198 VanDerWaalsContact O-N 3.13Å; L195-L199 HydrophobicContact CD1-CD1 4.44Å; L195-L199 HydrophobicContact CD1-CG 4.36Å; L195-L199 HydrophobicContact CG-CD1 4.06Å; L195-L199 HydrophobicContact CG-CG 4.44Å; L195-L199 WeakPolarHBondContact O-CG 3.18Å; L195-L199 PolarHBondContact O-N 2.94Å; L195-W249 HydrophobicContact CB-CH2 4.22Å; L195-W249 HydrophobicContact CB-CZ3 4.48Å; L195-W249 HydrophobicContact CD2-CE3 4.23Å; L195-W249 HydrophobicContact CD2-CH2 3.89Å; L195-W249 HydrophobicContact CD2-CZ3 3.44Å; L195-W249 VanDerWaalsContact CD2-CZ3 3.44Å; L195-V250 HydrophobicContact CD1-CG1 3.76Å; L195-V250 HydrophobicContact CD2-CB 4.36Å; L195-V250 HydrophobicContact CD2-CG1 4.07Å; L195-V250 HydrophobicContact CD2-CG2 4.33Å; L195-A253 HydrophobicContact CD2-CB 3.89Å; L195-F254 HydrophobicContact CD1-CE2 3.81Å; L195-F254 HydrophobicContact CD1-CZ 4.16Å
196L83.2Confident82.3Confident7 Ų729 Ų294%0.03715%0.152CC..Hα-helixtrans-57.6-45.5176.5177.860.8000111.2K192 A193 G194 K198 L199 Q200 L218 N219 I220 A223 A520K192-L196 PolarHBondContact O-N 3.32Å; A193-L196 WeakPolarHBondContact O-CB 3.48Å; A193-L196 PolarHBondContact O-N 2.85Å; G194-L196 PolarHBondContact O-N 3.28Å; L196-K198 VanDerWaalsContact C-N 3.3Å; L196-K198 PolarHBondContact O-N 3.48Å; L196-L199 PolarHBondContact O-N 2.95Å; L196-L199 VanDerWaalsContact O-N 3.13Å; L196-Q200 HydrophobicContact CD1-CG 4.15Å; L196-Q200 HydrophobicContact CG-CG 4.3Å; L196-Q200 WeakPolarHBondContact O-CB 3.37Å; L196-Q200 VanDerWaalsContact O-CG 3.3Å; L196-Q200 WeakPolarHBondContact O-CG 3.39Å; L196-Q200 PolarHBondContact O-N 2.82Å; L196-L218 WeakPolarHBondContact CD2-O 3.48Å; L196-N219 VanDerWaalsContact CD1-C 3.48Å; L196-N219 WeakPolarHBondContact CD1-O 3.31Å; L196-I220 HydrophobicContact CB-CG1 4.18Å; L196-I220 HydrophobicContact CD1-CG1 4.4Å; L196-A223 HydrophobicContact CD1-CB 4.46Å; L196-A520 HydrophobicContact CD2-CB 3.94Å
197I83.1Confident82Confident17 Ų1728.4 Ų28.49%0.08715%0.147CC..Hα-helixtrans-59.4-41.9176.4-66.9165.4000111A193 G194 L195 L199 Q200 N201 N485A193-I197 WeakPolarHBondContact O-CG1 3.48Å; A193-I197 PolarHBondContact O-N 2.87Å; A193-I197 VanDerWaalsContact O-N 3.12Å; G194-I197 PolarHBondContact O-N 2.92Å; L195-I197 VanDerWaalsContact C-N 3.32Å; L195-I197 PolarHBondContact O-N 3.24Å; I197-L199 VanDerWaalsContact C-N 3.34Å; I197-L199 PolarHBondContact O-N 3.48Å; I197-Q200 PolarHBondContact O-N 2.93Å; I197-N201 WeakPolarHBondContact O-CB 3.33Å; I197-N201 PolarHBondContact O-N 2.94Å; I197-N201 PolarHBondContact O-ND2 3.36Å; I197-N201 VanDerWaalsContact O-ND2 3.15Å; I197-N485 HydrophobicContact CD1-CB 4.39Å
198K87.1Confident81.2Confident33 Ų3335 Ų3514%0.14318%0.177CC..Hα-helixtrans-63.2-40.9176.6-62-66.9-176.8163.40111.7S186 G194 L195 L196 L202 D392S186-K198 PolarHBondContact O-NZ 3.09Å; S186-K198 VanDerWaalsContact O-NZ 3.07Å; G194-K198 WeakPolarHBondContact O-CG 3.5Å; G194-K198 PolarHBondContact O-N 2.84Å; G194-K198 VanDerWaalsContact O-N 3.13Å; L195-K198 WeakPolarHBondContact O-CB 3.07Å; L195-K198 PolarHBondContact O-N 2.93Å; L195-K198 VanDerWaalsContact O-N 3.13Å; L196-K198 VanDerWaalsContact C-N 3.3Å; L196-K198 PolarHBondContact O-N 3.48Å; K198-L202 WeakPolarHBondContact O-CB 3.3Å; K198-L202 PolarHBondContact O-N 3.44Å; K198-D392 PolarHBondContact NZ-O 2.83Å
199L88.3Confident80.4Confident0 Ų040.7 Ų40.70%021%0.208CC..Hα-helixtrans-69.1-40.7177.4-71.5170000112.3L195 L196 I197 L202 C203 I220 A223 L227 A253 F254L195-L199 HydrophobicContact CD1-CD1 4.44Å; L195-L199 HydrophobicContact CD1-CG 4.36Å; L195-L199 HydrophobicContact CG-CD1 4.06Å; L195-L199 HydrophobicContact CG-CG 4.44Å; L195-L199 WeakPolarHBondContact O-CG 3.18Å; L195-L199 PolarHBondContact O-N 2.94Å; L196-L199 PolarHBondContact O-N 2.95Å; L196-L199 VanDerWaalsContact O-N 3.13Å; I197-L199 VanDerWaalsContact C-N 3.34Å; I197-L199 PolarHBondContact O-N 3.48Å; L199-L202 WeakPolarHBondContact O-CB 3.34Å; L199-L202 PolarHBondContact O-N 2.49Å; L199-C203 WeakPolarHBondContact O-CB 3.35Å; L199-C203 PolarHBondContact O-N 3.36Å; L199-C203 PolarHBondContact O-SG 2.72Å; L199-I220 HydrophobicContact CD1-CG2 3.9Å; L199-A223 HydrophobicContact CB-CB 3.84Å; L199-A223 HydrophobicContact CD1-CB 4.11Å; L199-L227 HydrophobicContact CD2-CD2 4.23Å; L199-A253 HydrophobicContact CD1-CB 4.32Å; L199-F254 HydrophobicContact CD2-CD1 4Å; L199-F254 HydrophobicContact CD2-CE1 3.3Å; L199-F254 HydrophobicContact CD2-CE2 4.38Å; L199-F254 HydrophobicContact CD2-CZ 3.52Å; L199-F254 HydrophobicContact CG-CE1 4.46Å; L199-F254 HydrophobicContact CG-CZ 4.27Å
200Q85.7Confident79.5Confident8 Ų838.9 Ų38.94%0.03721%0.207CC..Hα-helixtrans-59.9-48.1173.9-73.4173.2-20.900110.9L196 I197 L202 C203 S204 P216 P217 V517L196-Q200 HydrophobicContact CD1-CG 4.15Å; L196-Q200 HydrophobicContact CG-CG 4.3Å; L196-Q200 WeakPolarHBondContact O-CB 3.37Å; L196-Q200 VanDerWaalsContact O-CG 3.3Å; L196-Q200 WeakPolarHBondContact O-CG 3.39Å; L196-Q200 PolarHBondContact O-N 2.82Å; I197-Q200 PolarHBondContact O-N 2.93Å; Q200-L202 VanDerWaalsContact C-N 3.28Å; Q200-L202 PolarHBondContact O-N 3.4Å; Q200-C203 PolarHBondContact O-N 3.08Å; Q200-S204 WeakPolarHBondContact O-CB 3.46Å; Q200-S204 PolarHBondContact O-N 2.62Å; Q200-P216 HydrophobicContact CB-CB 4.33Å; Q200-P216 HydrophobicContact CG-CB 4.14Å; Q200-P217 HydrophobicContact CG-CG 3.89Å; Q200-P217 WeakPolarHBondContact CG-O 3.36Å; Q200-P217 PolarHBondContact NE2-O 2.86Å; Q200-V517 PolarHBondContact NE2-O 3.26Å
201N84.8Confident78.5Confident61 Ų6141 Ų4133%0.32623%0.23SC..Hα-helixtrans-61.1-37.5176.3-72.7-27.6000112.2I197 R205I197-N201 WeakPolarHBondContact O-CB 3.33Å; I197-N201 PolarHBondContact O-N 2.94Å; I197-N201 PolarHBondContact O-ND2 3.36Å; I197-N201 VanDerWaalsContact O-ND2 3.15Å; N201-R205 WeakPolarHBondContact O-CB 3.01Å; N201-R205 PolarHBondContact O-N 3.14Å
202L87.6Confident77.8Confident1 Ų141.2 Ų41.21%0.00523%0.23CC..Hα-helixtrans-67.2-48.6174.7178.565.7000111.7I185 K198 L199 Q200 S204 R205 L206 L227 F254I185-L202 HydrophobicContact CD1-CB 4.06Å; I185-L202 HydrophobicContact CD1-CD1 3.44Å; I185-L202 VanDerWaalsContact CD1-CD1 3.44Å; I185-L202 HydrophobicContact CD1-CD2 3.26Å; I185-L202 HydrophobicContact CD1-CG 3.72Å; I185-L202 HydrophobicContact CG1-CD1 3.86Å; K198-L202 WeakPolarHBondContact O-CB 3.3Å; K198-L202 PolarHBondContact O-N 3.44Å; L199-L202 WeakPolarHBondContact O-CB 3.34Å; L199-L202 PolarHBondContact O-N 2.49Å; Q200-L202 VanDerWaalsContact C-N 3.28Å; Q200-L202 PolarHBondContact O-N 3.4Å; L202-S204 VanDerWaalsContact C-N 3.31Å; L202-S204 PolarHBondContact O-N 3.22Å; L202-R205 CarbonylContact O-C 3.55Å; L202-R205 WeakPolarHBondContact O-CB 3.32Å; L202-R205 PolarHBondContact O-N 2.76Å; L202-R205 VanDerWaalsContact O-N 3.09Å; L202-L206 HydrophobicContact CD1-CD1 4.05Å; L202-L206 HydrophobicContact CD1-CG 4.16Å; L202-L206 HydrophobicContact CD2-CD1 4.48Å; L202-L206 HydrophobicContact CG-CD1 3.96Å; L202-L206 HydrophobicContact CG-CG 4.41Å; L202-L206 WeakPolarHBondContact O-CG 3.29Å; L202-L206 PolarHBondContact O-N 2.95Å; L202-L227 HydrophobicContact CD2-CD1 3.46Å; L202-L227 VanDerWaalsContact CD2-CD1 3.46Å; L202-L227 HydrophobicContact CD2-CD2 3.56Å; L202-L227 HydrophobicContact CD2-CG 4.17Å; L202-L227 HydrophobicContact CG-CD1 4.09Å; L202-F254 HydrophobicContact CD2-CE1 4.13Å
203C87Confident77.2Confident5 Ų538.3 Ų38.33%0.03422%0.219CC..Hα-helixtrans-59.7-44.4179.7-67.90000110.7L199 Q200 R205 L206 D207 P217L199-C203 WeakPolarHBondContact O-CB 3.35Å; L199-C203 PolarHBondContact O-N 3.36Å; L199-C203 PolarHBondContact O-SG 2.72Å; Q200-C203 PolarHBondContact O-N 3.08Å; C203-R205 VanDerWaalsContact C-N 3.31Å; C203-R205 PolarHBondContact O-N 2.72Å; C203-L206 PolarHBondContact O-N 2.99Å; C203-L206 VanDerWaalsContact O-N 3.11Å; C203-D207 PolarHBondContact O-N 2.81Å; C203-P217 HydrophobicContact CB-CG 4.45Å
204S82.4Confident76.8Confident83 Ų8345.5 Ų45.558%0.5825%0.25SS*.Hα-helixtrans-60-40.3174.3-179.60000111.9Q200 L202 L206Q200-S204 WeakPolarHBondContact O-CB 3.46Å; Q200-S204 PolarHBondContact O-N 2.62Å; L202-S204 VanDerWaalsContact C-N 3.31Å; L202-S204 PolarHBondContact O-N 3.22Å; S204-L206 VanDerWaalsContact C-N 3.33Å; S204-L206 PolarHBondContact O-N 2.78Å
205R82.6Confident76.6Confident73 Ų7346.6 Ų46.628%0.27525%0.251SS..Hα-helixtrans-70.1-24.7175.1-163.3-169.1-54.9157.55.7113.5W184 N201 L202 C203 H208W184-R205 PolarHBondContact O-NH1 2.85Å; N201-R205 WeakPolarHBondContact O-CB 3.01Å; N201-R205 PolarHBondContact O-N 3.14Å; L202-R205 CarbonylContact O-C 3.55Å; L202-R205 WeakPolarHBondContact O-CB 3.32Å; L202-R205 PolarHBondContact O-N 2.76Å; L202-R205 VanDerWaalsContact O-N 3.09Å; C203-R205 VanDerWaalsContact C-N 3.31Å; C203-R205 PolarHBondContact O-N 2.72Å; R205-H208 VanDerWaalsContact C-CE1 3.45Å; R205-H208 VanDerWaalsContact CA-CE1 3.48Å; R205-H208 WeakPolarHBondContact CA-CE1 3.4Å; R205-H208 PolarHBondContact O-CE1 2.89Å; R205-H208 PolarHBondContact O-ND1 3.38Å
206L83.6Confident76.1Confident1 Ų148.4 Ų48.41%0.00526%0.263CS..Hα-helixtrans-87.5-32177.6-68.4176000111.4H183 L202 C203 S204 L227 L230 M231 K234 Y235H183-L206 WeakPolarHBondContact CE1-CD2 3.36Å; L202-L206 HydrophobicContact CD1-CD1 4.05Å; L202-L206 HydrophobicContact CD1-CG 4.16Å; L202-L206 HydrophobicContact CD2-CD1 4.48Å; L202-L206 HydrophobicContact CG-CD1 3.96Å; L202-L206 HydrophobicContact CG-CG 4.41Å; L202-L206 WeakPolarHBondContact O-CG 3.29Å; L202-L206 PolarHBondContact O-N 2.95Å; C203-L206 PolarHBondContact O-N 2.99Å; C203-L206 VanDerWaalsContact O-N 3.11Å; S204-L206 VanDerWaalsContact C-N 3.33Å; S204-L206 PolarHBondContact O-N 2.78Å; L206-L227 HydrophobicContact CD1-CD1 3.37Å; L206-L230 HydrophobicContact CB-CD1 3.97Å; L206-M231 HydrophobicContact CD1-SD 4.02Å; L206-K234 PolarHBondContact O-NZ 3.35Å; L206-Y235 HydrophobicContact CB-CE2 3.93Å; L206-Y235 HydrophobicContact CD2-CD2 3.94Å; L206-Y235 HydrophobicContact CD2-CE2 3.74Å; L206-Y235 HydrophobicContact CG-CE2 4.4Å; L206-Y235 WeakPolarHBondContact O-CE2 3.21Å; L206-Y235 PolarHBondContact O-OH 3.45Å
207D79.6Confident75.9Confident13 Ų1348.1 Ų48.17%0.0726%0.261CS..  trans-103.650.9-176.1-157.115.9000114.3C203 D209 C210 A211 L212 L230 K234C203-D207 PolarHBondContact O-N 2.81Å; D207-D209 PolarHBondContact O-N 2.99Å; D207-D209 VanDerWaalsContact O-N 3.15Å; D207-C210 PolarHBondContact O-N 2.79Å; D207-C210 VanDerWaalsContact O-N 3.12Å; D207-C210 PolarHBondContact OD1-N 2.63Å; D207-A211 PolarHBondContact OD1-N 3.05Å; D207-A211 PolarHBondContact OD2-N 3Å; D207-L212 PolarHBondContact OD2-N 3.1Å; D207-L230 HydrophobicContact CB-CD1 4.36Å; D207-L230 HydrophobicContact CB-CD2 4.14Å; D207-K234 IonicContact OD1-NZ 3.85Å
208H69.9Low75.3Confident137 Ų13748.6 Ų48.663%0.63426%0.264SS*.THydrogen-bonded Turntrans-60.4-22.2177.6-75.775.8000114.4R205R205-H208 VanDerWaalsContact C-CE1 3.45Å; R205-H208 VanDerWaalsContact CA-CE1 3.48Å; R205-H208 WeakPolarHBondContact CA-CE1 3.4Å; R205-H208 PolarHBondContact O-CE1 2.89Å; R205-H208 PolarHBondContact O-ND1 3.38Å
209D63.9Low74.7Confident123 Ų12350.5 Ų50.566%0.65828%0.275SS*.THydrogen-bonded Turntrans-940-178.9-50.5-58.5000112.7D207 A211 K234D207-D209 PolarHBondContact O-N 2.99Å; D207-D209 VanDerWaalsContact O-N 3.15Å; D209-A211 VanDerWaalsContact C-N 3.25Å; D209-A211 PolarHBondContact O-N 3.28Å; D209-K234 IonicContact OD2-NZ 3.29Å; D209-K234 PolarHBondContact OD2-NZ 3.25Å
210C59Low74.2Confident63 Ų6351.7 Ų51.743%0.42628%0.282SS..  trans47.746.5-171.6-62.50000112.4D207 L212 Q214D207-C210 PolarHBondContact O-N 2.79Å; D207-C210 VanDerWaalsContact O-N 3.12Å; D207-C210 PolarHBondContact OD1-N 2.63Å; C210-L212 VanDerWaalsContact C-N 3.35Å; C210-Q214 HydrophobicContact CB-CG 3.93Å
211A57.2Low73.9Confident73 Ų7357 Ų5760%0.60331%0.307SS*.SBendtrans-76-23.8-17400000112.9D207 D209D207-A211 PolarHBondContact OD1-N 3.05Å; D207-A211 PolarHBondContact OD2-N 3Å; D209-A211 VanDerWaalsContact C-N 3.25Å; D209-A211 PolarHBondContact O-N 3.28Å
212L59.9Low73.7Confident75 Ų7555.9 Ų55.939%0.39330%0.299SS..SBendtrans-109.3-47.9-180-75.1165.1000112.7D207 C210 L229 L230D207-L212 PolarHBondContact OD2-N 3.1Å; C210-L212 VanDerWaalsContact C-N 3.35Å; L212-L229 HydrophobicContact CD1-CB 4.42Å; L212-L230 HydrophobicContact CD1-CD2 3.59Å; L212-L230 HydrophobicContact CD1-CG 3.82Å
213S62.1Low73.6Confident9 Ų955.9 Ų55.96%0.06330%0.299CS..  trans-162.5148.9174.2-179.50000111.8R215 D1172S213-R215 VanDerWaalsContact C-N 3.33Å; S213-R215 PolarHBondContact OG-N 3.23Å; S213-D1172 VanDerWaalsContact CA-OD2 3.24Å; S213-D1172 WeakPolarHBondContact CA-OD2 3.17Å; S213-D1172 WeakPolarHBondContact CB-OD2 3.47Å; S213-D1172 PolarHBondContact OG-OD2 2.92Å
214Q63.9Low73.7Confident162 Ų16258.4 Ų58.476%0.75731%0.31SS*.SBendtrans-77.3-15.3176.1-67.9-172.5-2.700113.8C210 D1172C210-Q214 HydrophobicContact CB-CG 3.93Å; Q214-D1172 PolarHBondContact N-OD2 3.16Å; Q214-D1172 VanDerWaalsContact N-OD2 3.11Å
215R72.5Confident73.7Confident34 Ų3458.9 Ų58.913%0.12831%0.305CS..SBendtrans-93.4146.1-175.776.9-175.8176.287.71.9112.9S213 E222 R226 E1173S213-R215 VanDerWaalsContact C-N 3.33Å; S213-R215 PolarHBondContact OG-N 3.23Å; R215-E222 IonicContact CZ-OE1 3.12Å; R215-E222 IonicContact CZ-OE2 2.74Å; R215-E222 IonicContact NH1-OE1 3.63Å; R215-E222 PolarHBondContact NH1-OE1 3.45Å; R215-E222 IonicContact NH1-OE2 3.79Å; R215-E222 PolarHBondContact NH1-OE2 3.16Å; R215-E222 IonicContact NH2-OE1 2.71Å; R215-E222 PolarHBondContact NH2-OE1 3.46Å; R215-E222 IonicContact NH2-OE2 3.6Å; R215-R226 PolarHBondContact O-NH1 3.11Å; R215-E1173 IonicContact CZ-OE1 3.66Å; R215-E1173 IonicContact NE-OE1 3.6Å; R215-E1173 IonicContact NH2-OE1 3.57Å; R215-E1173 PolarHBondContact NH2-OE1 3.21Å; R215-E1173 IonicContact NH2-OE2 3.24Å
216P73.9Confident73.9Confident39 Ų3956.6 Ų56.625%0.25330%0.297SS..PPolyproline II helixtrans-68.7151.7166.525.9-27.1000110.9Q200 L516Q200-P216 HydrophobicContact CB-CB 4.33Å; Q200-P216 HydrophobicContact CG-CB 4.14Å; P216-L516 WeakPolarHBondContact CG-O 3.23Å
217P80.1Confident74.1Confident0 Ų056.6 Ų56.60%030%0.297CS..PPolyproline II helixtrans-66141.317727.5-34.7000111.2Q200 C203 E222 A223Q200-P217 HydrophobicContact CG-CG 3.89Å; Q200-P217 WeakPolarHBondContact CG-O 3.36Å; Q200-P217 PolarHBondContact NE2-O 2.86Å; C203-P217 HydrophobicContact CB-CG 4.45Å; P217-E222 HydrophobicContact CB-CB 4.31Å; P217-E222 HydrophobicContact CB-CG 4.08Å; P217-A223 HydrophobicContact CB-CB 3.63Å; P217-A223 HydrophobicContact CG-CB 3.48Å; P217-A223 VanDerWaalsContact CG-CB 3.48Å
218L70.8Confident74.5Confident28 Ų2860.7 Ų60.715%0.14731%0.311CS..SBendtrans-91.4-21.5-172.4-61.9172.2000113.6L196 E222L196-L218 WeakPolarHBondContact CD2-O 3.48Å; L218-E222 PolarHBondContact N-OE2 3.25Å
219N72.9Confident75.3Confident72 Ų7258.5 Ų58.539%0.38530%0.304SS..SBendtrans-137.7170.417861.531.8000110.9L196 E221 E222 A223L196-N219 VanDerWaalsContact CD1-C 3.48Å; L196-N219 WeakPolarHBondContact CD1-O 3.31Å; N219-E221 VanDerWaalsContact C-N 3.33Å; N219-E222 WeakPolarHBondContact OD1-CA 3.49Å; N219-E222 WeakPolarHBondContact OD1-CB 3.19Å; N219-E222 PolarHBondContact OD1-N 3.38Å; N219-A223 WeakPolarHBondContact O-CB 3.32Å; N219-A223 PolarHBondContact O-N 3.48Å; N219-A223 VanDerWaalsContact O-N 3.08Å
220I79.6Confident76.4Confident26 Ų2652.8 Ų52.813%0.13327%0.273CS..Hα-helixtrans-70.1-35.5-173.2-63.2172.5000110.2K192 L196 L199 A223 K224 A253K192-I220 HydrophobicContact CB-CD1 3.96Å; K192-I220 HydrophobicContact CD-CD1 4.44Å; K192-I220 HydrophobicContact CG-CD1 4.13Å; L196-I220 HydrophobicContact CB-CG1 4.18Å; L196-I220 HydrophobicContact CD1-CG1 4.4Å; L199-I220 HydrophobicContact CD1-CG2 3.9Å; I220-A223 PolarHBondContact O-N 3.45Å; I220-K224 VanDerWaalsContact O-CB 3.26Å; I220-K224 WeakPolarHBondContact O-CB 3.3Å; I220-K224 PolarHBondContact O-N 3.45Å; I220-A253 HydrophobicContact CG2-CB 3.85Å
221E78.7Confident77.8Confident120 Ų12050.1 Ų50.156%0.56125%0.254SS*.Hα-helixtrans-67.1-48.5-179.3-62.272.2-155.600111.4N219 A223 K224 D225N219-E221 VanDerWaalsContact C-N 3.33Å; E221-A223 VanDerWaalsContact C-N 3.31Å; E221-A223 PolarHBondContact O-N 2.96Å; E221-K224 WeakPolarHBondContact O-CB 3.47Å; E221-K224 PolarHBondContact O-N 2.71Å; E221-D225 PolarHBondContact O-N 3.47Å
222E80.1Confident79.1Confident37 Ų3750.6 Ų50.617%0.17325%0.246CC..Hα-helixtrans-60.3-43.4173.6-175.5-168.2169.700110.4R215 P217 L218 N219 K224 D225 R226R215-E222 IonicContact CZ-OE1 3.12Å; R215-E222 IonicContact CZ-OE2 2.74Å; R215-E222 IonicContact NH1-OE1 3.63Å; R215-E222 PolarHBondContact NH1-OE1 3.45Å; R215-E222 IonicContact NH1-OE2 3.79Å; R215-E222 PolarHBondContact NH1-OE2 3.16Å; R215-E222 IonicContact NH2-OE1 2.71Å; R215-E222 PolarHBondContact NH2-OE1 3.46Å; R215-E222 IonicContact NH2-OE2 3.6Å; P217-E222 HydrophobicContact CB-CB 4.31Å; P217-E222 HydrophobicContact CB-CG 4.08Å; L218-E222 PolarHBondContact N-OE2 3.25Å; N219-E222 WeakPolarHBondContact OD1-CA 3.49Å; N219-E222 WeakPolarHBondContact OD1-CB 3.19Å; N219-E222 PolarHBondContact OD1-N 3.38Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.47Å; E222-D225 PolarHBondContact O-N 2.81Å; E222-R226 VanDerWaalsContact O-CB 3.32Å; E222-R226 WeakPolarHBondContact O-CB 3.46Å; E222-R226 PolarHBondContact O-N 2.86Å; E222-R226 IonicContact OE1-CZ 3.9Å; E222-R226 IonicContact OE1-NH1 2.95Å; E222-R226 IonicContact OE1-NH2 3.46Å; E222-R226 PolarHBondContact OE1-NH2 2.82Å
223A86.2Confident80.2Confident0 Ų057.3 Ų57.30%027%0.267CS..Hα-helixtrans-62.4-41177.500000111.7L196 L199 P217 N219 I220 E221 L227L196-A223 HydrophobicContact CD1-CB 4.46Å; L199-A223 HydrophobicContact CB-CB 3.84Å; L199-A223 HydrophobicContact CD1-CB 4.11Å; P217-A223 HydrophobicContact CB-CB 3.63Å; P217-A223 HydrophobicContact CG-CB 3.48Å; P217-A223 VanDerWaalsContact CG-CB 3.48Å; N219-A223 WeakPolarHBondContact O-CB 3.32Å; N219-A223 PolarHBondContact O-N 3.48Å; N219-A223 VanDerWaalsContact O-N 3.08Å; I220-A223 PolarHBondContact O-N 3.45Å; E221-A223 VanDerWaalsContact C-N 3.31Å; E221-A223 PolarHBondContact O-N 2.96Å; A223-L227 WeakPolarHBondContact O-CB 3.47Å; A223-L227 PolarHBondContact O-N 3.27Å
224K88.1Confident81.3Confident59 Ų5959.9 Ų59.926%0.25728%0.277SS..Hα-helixtrans-61.8-49.7176178.5178.8176.8165.20111.1I220 E221 E222 L227 R228 K252 A253 D255 N256I220-K224 VanDerWaalsContact O-CB 3.26Å; I220-K224 WeakPolarHBondContact O-CB 3.3Å; I220-K224 PolarHBondContact O-N 3.45Å; E221-K224 WeakPolarHBondContact O-CB 3.47Å; E221-K224 PolarHBondContact O-N 2.71Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.47Å; K224-L227 PolarHBondContact O-N 3.4Å; K224-R228 WeakPolarHBondContact O-CB 3.49Å; K224-R228 PolarHBondContact O-N 3.29Å; K224-K252 PolarHBondContact NZ-O 3.29Å; K224-A253 WeakPolarHBondContact CG-O 3.4Å; K224-D255 WeakPolarHBondContact CE-O 3.38Å; K224-D255 PolarHBondContact NZ-O 3.3Å; K224-N256 VanDerWaalsContact CE-OD1 3.22Å; K224-N256 WeakPolarHBondContact CE-OD1 3.46Å; K224-N256 WeakPolarHBondContact CG-OD1 3.29Å; K224-N256 PolarHBondContact O-OD1 3.18Å
225D83.1Confident82.4Confident92 Ų9254.7 Ų54.749%0.49225%0.25SS..Hα-helixtrans-65.7-42.1-179-76.6-20.4000112E221 E222 R228 L229E221-D225 PolarHBondContact O-N 3.47Å; E222-D225 PolarHBondContact O-N 2.81Å; D225-R228 WeakPolarHBondContact O-CB 3.44Å; D225-R228 PolarHBondContact O-N 3.28Å; D225-L229 WeakPolarHBondContact O-CG 3.39Å; D225-L229 PolarHBondContact O-N 3.45Å
226R86Confident83Confident26 Ų2656.4 Ų56.410%0.09827%0.266CS..Hα-helixtrans-63.9-42.7174.9-171.7170.6-67.2158.49.1111.5R215 E222 R228 L229 L230 E1173R215-R226 PolarHBondContact O-NH1 3.11Å; E222-R226 VanDerWaalsContact O-CB 3.32Å; E222-R226 WeakPolarHBondContact O-CB 3.46Å; E222-R226 PolarHBondContact O-N 2.86Å; E222-R226 IonicContact OE1-CZ 3.9Å; E222-R226 IonicContact OE1-NH1 2.95Å; E222-R226 IonicContact OE1-NH2 3.46Å; E222-R226 PolarHBondContact OE1-NH2 2.82Å; R226-R228 VanDerWaalsContact C-N 3.33Å; R226-R228 PolarHBondContact O-N 2.89Å; R226-L229 PolarHBondContact O-N 3.03Å; R226-L230 HydrophobicContact CG-CD1 4.15Å; R226-L230 WeakPolarHBondContact O-CG 3.34Å; R226-L230 PolarHBondContact O-N 3.47Å; R226-E1173 IonicContact NH2-OE1 3.26Å
227L89Confident83.6Confident0 Ų060.6 Ų60.60%028%0.277CS..Hα-helixtrans-61.4-42.6175.5-178.460.1000111.4L199 L202 L206 A223 K224 L229 L230 M231 F254 N256L199-L227 HydrophobicContact CD2-CD2 4.23Å; L202-L227 HydrophobicContact CD2-CD1 3.46Å; L202-L227 VanDerWaalsContact CD2-CD1 3.46Å; L202-L227 HydrophobicContact CD2-CD2 3.56Å; L202-L227 HydrophobicContact CD2-CG 4.17Å; L202-L227 HydrophobicContact CG-CD1 4.09Å; L206-L227 HydrophobicContact CD1-CD1 3.37Å; A223-L227 WeakPolarHBondContact O-CB 3.47Å; A223-L227 PolarHBondContact O-N 3.27Å; K224-L227 PolarHBondContact O-N 3.4Å; L227-L229 VanDerWaalsContact C-N 3.34Å; L227-L229 PolarHBondContact O-N 3.25Å; L227-L230 PolarHBondContact O-N 3.41Å; L227-M231 HydrophobicContact CD1-CG 3.88Å; L227-M231 HydrophobicContact CD1-SD 4.47Å; L227-M231 HydrophobicContact CG-CG 4.26Å; L227-M231 WeakPolarHBondContact O-CB 3.41Å; L227-M231 VanDerWaalsContact O-CG 3.25Å; L227-M231 WeakPolarHBondContact O-CG 3.48Å; L227-M231 PolarHBondContact O-N 3.2Å; L227-F254 HydrophobicContact CD2-CD1 3.92Å; L227-F254 HydrophobicContact CD2-CE1 4.21Å; L227-N256 WeakPolarHBondContact CD2-ND2 3.4Å
228R87.9Confident84.1Confident99 Ų9960.9 Ų60.937%0.37428%0.279SS..Hα-helixtrans-58.1-45.3174.7-177.4-179.8-179.9-172.91111.6K224 D225 R226 L232 N256K224-R228 WeakPolarHBondContact O-CB 3.49Å; K224-R228 PolarHBondContact O-N 3.29Å; D225-R228 WeakPolarHBondContact O-CB 3.44Å; D225-R228 PolarHBondContact O-N 3.28Å; R226-R228 VanDerWaalsContact C-N 3.33Å; R226-R228 PolarHBondContact O-N 2.89Å; R228-L232 HydrophobicContact CG-CD1 3.73Å; R228-L232 VanDerWaalsContact O-CB 3.31Å; R228-L232 WeakPolarHBondContact O-CB 3.35Å; R228-L232 VanDerWaalsContact O-CG 3.25Å; R228-L232 WeakPolarHBondContact O-CG 3.29Å; R228-L232 PolarHBondContact O-N 2.99Å; R228-N256 HydrophobicContact CB-CB 3.98Å; R228-N256 HydrophobicContact CG-CB 4.33Å
229L86.1Confident85.1Confident92 Ų9259.6 Ų59.648%0.48227%0.272SS..Hα-helixtrans-63.4-46.1177-70.6170.9000112.1L212 D225 R226 L227 L232 R233L212-L229 HydrophobicContact CD1-CB 4.42Å; D225-L229 WeakPolarHBondContact O-CG 3.39Å; D225-L229 PolarHBondContact O-N 3.45Å; R226-L229 PolarHBondContact O-N 3.03Å; L227-L229 VanDerWaalsContact C-N 3.34Å; L227-L229 PolarHBondContact O-N 3.25Å; L229-L232 PolarHBondContact O-N 3.13Å; L229-R233 VanDerWaalsContact O-CB 3.26Å; L229-R233 WeakPolarHBondContact O-CB 3.42Å; L229-R233 PolarHBondContact O-N 3.35Å
230L87.4Confident86.1Confident2 Ų256.2 Ų56.21%0.0125%0.254CS..Hα-helixtrans-61.5-47.6179.2-75.3167.7000112L206 D207 L212 R226 L227 K234 Y235L206-L230 HydrophobicContact CB-CD1 3.97Å; D207-L230 HydrophobicContact CB-CD1 4.36Å; D207-L230 HydrophobicContact CB-CD2 4.14Å; L212-L230 HydrophobicContact CD1-CD2 3.59Å; L212-L230 HydrophobicContact CD1-CG 3.82Å; R226-L230 HydrophobicContact CG-CD1 4.15Å; R226-L230 WeakPolarHBondContact O-CG 3.34Å; R226-L230 PolarHBondContact O-N 3.47Å; L227-L230 PolarHBondContact O-N 3.41Å; L230-K234 HydrophobicContact CD2-CB 4.49Å; L230-K234 HydrophobicContact CD2-CD 4.18Å; L230-K234 WeakPolarHBondContact O-CA 3.39Å; L230-K234 VanDerWaalsContact O-CB 3.3Å; L230-K234 WeakPolarHBondContact O-CB 3.38Å; L230-K234 PolarHBondContact O-N 2.78Å; L230-Y235 PolarHBondContact O-N 2.68Å
231M87.6Confident86.8Confident7 Ų755 Ų553%0.03425%0.247CC..Hα-helixtrans-68.1-37.8-179-65.9-65.7-72.200112.1L206 L227 Y235 S238 L240 C258L206-M231 HydrophobicContact CD1-SD 4.02Å; L227-M231 HydrophobicContact CD1-CG 3.88Å; L227-M231 HydrophobicContact CD1-SD 4.47Å; L227-M231 HydrophobicContact CG-CG 4.26Å; L227-M231 WeakPolarHBondContact O-CB 3.41Å; L227-M231 VanDerWaalsContact O-CG 3.25Å; L227-M231 WeakPolarHBondContact O-CG 3.48Å; L227-M231 PolarHBondContact O-N 3.2Å; M231-Y235 CarbonylContact O-C 3.5Å; M231-S238 WeakPolarHBondContact CE-OG 3.29Å; M231-L240 HydrophobicContact CE-CB 4.2Å; M231-C258 WeakPolarHBondContact CB-SG 3.4Å; M231-C258 HydrophobicContact CE-CB 4.48Å
232L85.3Confident87.5Confident83 Ų8349.2 Ų49.244%0.43522%0.221SC..Hα-helixtrans-77.7-36.6-179.9-69.9173.1000113.3R228 L229R228-L232 HydrophobicContact CG-CD1 3.73Å; R228-L232 VanDerWaalsContact O-CB 3.31Å; R228-L232 WeakPolarHBondContact O-CB 3.35Å; R228-L232 VanDerWaalsContact O-CG 3.25Å; R228-L232 WeakPolarHBondContact O-CG 3.29Å; R228-L232 PolarHBondContact O-N 2.99Å; L229-L232 PolarHBondContact O-N 3.13Å
233R84Confident87.9Confident216 Ų21648.3 Ų48.382%0.81522%0.217SC*.Hα-helixtrans-98.4-45.6-173.6-64.7-70.3-170.8144.81.3113.5L229L229-R233 VanDerWaalsContact O-CB 3.26Å; L229-R233 WeakPolarHBondContact O-CB 3.42Å; L229-R233 PolarHBondContact O-N 3.35Å
234K83.7Confident87.8Confident63 Ų6349.2 Ų49.227%0.27422%0.222SC..THydrogen-bonded Turntrans-90.5-41.8-172.9-167.8173.3-176.9177.60112.1L206 D207 D209 L230 P236L206-K234 PolarHBondContact O-NZ 3.35Å; D207-K234 IonicContact OD1-NZ 3.85Å; D209-K234 IonicContact OD2-NZ 3.29Å; D209-K234 PolarHBondContact OD2-NZ 3.25Å; L230-K234 HydrophobicContact CD2-CB 4.49Å; L230-K234 HydrophobicContact CD2-CD 4.18Å; L230-K234 WeakPolarHBondContact O-CA 3.39Å; L230-K234 VanDerWaalsContact O-CB 3.3Å; L230-K234 WeakPolarHBondContact O-CB 3.38Å; L230-K234 PolarHBondContact O-N 2.78Å; K234-P236 VanDerWaalsContact O-CD 3.26Å; K234-P236 WeakPolarHBondContact O-CD 3.22Å
235Y86.6Confident87.6Confident53 Ų5346.4 Ų46.421%0.20821%0.21CC..SBendtrans-119.559.8-178-58.1-80.4000113H183 L206 L230 M231 S238H183-Y235 AromaticContact NE2-CD1 3.8Å; H183-Y235 AromaticContact NE2-CG 3.77Å; L206-Y235 HydrophobicContact CB-CE2 3.93Å; L206-Y235 HydrophobicContact CD2-CD2 3.94Å; L206-Y235 HydrophobicContact CD2-CE2 3.74Å; L206-Y235 HydrophobicContact CG-CE2 4.4Å; L206-Y235 WeakPolarHBondContact O-CE2 3.21Å; L206-Y235 PolarHBondContact O-OH 3.45Å; L230-Y235 PolarHBondContact O-N 2.68Å; M231-Y235 CarbonylContact O-C 3.5Å; Y235-S238 VanDerWaalsContact O-CB 3.31Å; Y235-S238 WeakPolarHBondContact O-CB 3.47Å; Y235-S238 PolarHBondContact O-N 3.15Å; Y235-S238 PolarHBondContact O-OG 2.89Å
236P85.8Confident87.4Confident70 Ų7046.5 Ų46.546%0.45520%0.203SC..THydrogen-bonded Turntrans-64.2140.9-179.529.4-35.5000111.1G180 K234 S238G180-P236 WeakPolarHBondContact CA-O 3.42Å; K234-P236 VanDerWaalsContact O-CD 3.26Å; K234-P236 WeakPolarHBondContact O-CD 3.22Å; P236-S238 VanDerWaalsContact C-N 3.3Å; P236-S238 PolarHBondContact O-N 3.12Å
237R86.8Confident86.9Confident128 Ų12846.9 Ų46.948%0.48321%0.207SC..THydrogen-bonded Turntrans54.943.7-176.3-55.2-171.8-64.2154.5-1.9112.9F178 P179 G180F178-R237 CarbonylContact C-O 3.59Å; F178-R237 WeakPolarHBondContact CA-O 3.43Å; P179-R237 VanDerWaalsContact CG-CZ 3.49Å; P179-R237 VanDerWaalsContact CG-NH2 3.25Å; G180-R237 PolarHBondContact N-O 2.96Å
238S91Very high86.4Confident6 Ų648.7 Ų48.74%0.04222%0.22CC..PPolyproline II helixtrans-99.6153.1168.358.30000110.7G181 M231 Y235 P236G181-S238 VanDerWaalsContact O-CA 3.25Å; G181-S238 WeakPolarHBondContact O-CA 3.48Å; G181-S238 WeakPolarHBondContact O-CB 3.44Å; M231-S238 WeakPolarHBondContact CE-OG 3.29Å; Y235-S238 VanDerWaalsContact O-CB 3.31Å; Y235-S238 WeakPolarHBondContact O-CB 3.47Å; Y235-S238 PolarHBondContact O-N 3.15Å; Y235-S238 PolarHBondContact O-OG 2.89Å; P236-S238 VanDerWaalsContact C-N 3.3Å; P236-S238 PolarHBondContact O-N 3.12Å
239L92.3Very high86.1Confident0 Ų046.2 Ų46.20%021%0.21CC..EExtended strand (participates in β ladder)trans-100.5126.2176.6-178.169.8000110.6L140 L168 F178 G181 V182 H183 V241 Q259 L261L140-L239 HydrophobicContact CD2-CD1 4.22Å; L140-L239 HydrophobicContact CD2-CD2 4.3Å; L168-L239 HydrophobicContact CD2-CD2 3.39Å; F178-L239 HydrophobicContact CD1-CB 3.72Å; F178-L239 HydrophobicContact CE1-CB 3.98Å; F178-L239 HydrophobicContact CE1-CD1 3.9Å; F178-L239 HydrophobicContact CE1-CG 4.37Å; F178-L239 HydrophobicContact CE2-CD2 4.3Å; F178-L239 HydrophobicContact CG-CB 4.01Å; F178-L239 HydrophobicContact CZ-CD1 4.09Å; F178-L239 HydrophobicContact CZ-CD2 4.32Å; G181-L239 PolarHBondContact O-N 3.1Å; V182-L239 CarbonylContact C-O 3.6Å; V182-L239 WeakPolarHBondContact CA-O 3.33Å; V182-L239 HydrophobicContact CG2-CB 4.33Å; H183-L239 PolarHBondContact N-O 3.1Å; L239-V241 HydrophobicContact CD2-CG2 4.07Å; L239-V241 HydrophobicContact CG-CG2 4.19Å; L239-Q259 HydrophobicContact CD1-CB 4.14Å; L239-L261 HydrophobicContact CD1-CB 4.17Å; L239-L261 HydrophobicContact CD2-CB 4.3Å; L239-L261 HydrophobicContact CD2-CD2 4.17Å; L239-L261 HydrophobicContact CG-CB 4.46Å
240L93.4Very high86Confident1 Ų141.9 Ų41.91%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-93.9125.6170.9-172.964.5000110.1H183 I185 M231 L242 F254 Q259 V260 L261H183-L240 HydrophobicContact CB-CD1 4.11Å; I185-L240 HydrophobicContact CD1-CD1 3.8Å; I185-L240 HydrophobicContact CG1-CD1 4.41Å; M231-L240 HydrophobicContact CE-CB 4.2Å; L240-L242 HydrophobicContact CD2-CD2 4.13Å; L240-L242 HydrophobicContact CG-CD2 4.07Å; L240-L242 HydrophobicContact CG-CG 4.44Å; L240-F254 HydrophobicContact CD2-CD1 3.91Å; L240-Q259 PolarHBondContact N-O 2.57Å; L240-V260 HydrophobicContact CB-CG2 4.35Å; L240-V260 CarbonylContact O-C 3.59Å; L240-V260 VanDerWaalsContact O-CA 3.27Å; L240-V260 WeakPolarHBondContact O-CA 3.25Å; L240-L261 PolarHBondContact O-N 3.22Å
241V94Very high86Confident0 Ų041.8 Ų41.80%019%0.187CC..EExtended strand (participates in β ladder)trans-111.8120178.7-168.70000110T164 L168 V182 H183 W184 I185 L239 L261T164-V241 HydrophobicContact CG2-CG1 4.07Å; L168-V241 HydrophobicContact CD1-CG2 3.82Å; V182-V241 HydrophobicContact CG1-CG2 3.72Å; H183-V241 PolarHBondContact O-N 3.34Å; W184-V241 HydrophobicContact CD2-CB 4.15Å; W184-V241 HydrophobicContact CD2-CG1 3.97Å; W184-V241 HydrophobicContact CE3-CB 3.73Å; W184-V241 HydrophobicContact CE3-CG1 3.44Å; W184-V241 VanDerWaalsContact CE3-CG1 3.44Å; W184-V241 HydrophobicContact CE3-CG2 4.14Å; W184-V241 HydrophobicContact CH2-CG1 3.92Å; W184-V241 HydrophobicContact CZ2-CG1 4.38Å; W184-V241 HydrophobicContact CZ3-CB 4.22Å; W184-V241 HydrophobicContact CZ3-CG1 3.43Å; W184-V241 VanDerWaalsContact CZ3-CG1 3.43Å; I185-V241 PolarHBondContact N-O 3.22Å; L239-V241 HydrophobicContact CD2-CG2 4.07Å; L239-V241 HydrophobicContact CG-CG2 4.19Å; V241-L261 CarbonylContact C-O 3.52Å; V241-L261 VanDerWaalsContact CA-O 3.29Å; V241-L261 WeakPolarHBondContact CA-O 3.47Å; V241-L261 HydrophobicContact CG1-CB 4.39Å; V241-L261 HydrophobicContact CG1-CD2 4.44Å; V241-L261 HydrophobicContact CG1-CG 4.32Å; V241-L261 HydrophobicContact CG2-CB 4.32Å; V241-L261 HydrophobicContact CG2-CD2 4.37Å
242L92.3Very high85.8Confident0 Ų045.7 Ų45.70%020%0.204CC..EExtended strand (participates in β ladder)trans-110.7115.4-179-58.1-179.8000109.9I185 V187 L240 I245 L251 F254 V260 L261 I262 T263I185-L242 HydrophobicContact CB-CD2 4.28Å; I185-L242 HydrophobicContact CD1-CD2 4.13Å; V187-L242 HydrophobicContact CG2-CD2 4.23Å; L240-L242 HydrophobicContact CD2-CD2 4.13Å; L240-L242 HydrophobicContact CG-CD2 4.07Å; L240-L242 HydrophobicContact CG-CG 4.44Å; L242-I245 HydrophobicContact CB-CD1 3.57Å; L242-I245 HydrophobicContact CB-CG1 4.03Å; L242-I245 HydrophobicContact CD1-CD1 3.71Å; L242-I245 HydrophobicContact CG-CD1 4.3Å; L242-L251 HydrophobicContact CD1-CD1 3.68Å; L242-F254 HydrophobicContact CD1-CB 3.84Å; L242-F254 HydrophobicContact CD1-CD1 4.49Å; L242-F254 HydrophobicContact CD1-CD2 3.79Å; L242-F254 HydrophobicContact CD1-CE2 4.47Å; L242-F254 HydrophobicContact CD1-CG 3.79Å; L242-F254 HydrophobicContact CD2-CD1 3.99Å; L242-F254 HydrophobicContact CD2-CD2 4.14Å; L242-F254 HydrophobicContact CD2-CE1 3.98Å; L242-F254 HydrophobicContact CD2-CE2 4.14Å; L242-F254 HydrophobicContact CD2-CG 4.06Å; L242-F254 HydrophobicContact CD2-CZ 4.06Å; L242-V260 HydrophobicContact CD1-CG1 3.68Å; L242-V260 HydrophobicContact CG-CG1 3.84Å; L242-L261 PolarHBondContact N-O 2.93Å; L242-I262 WeakPolarHBondContact O-CA 3.24Å; L242-T263 PolarHBondContact O-N 3.41Å
243D89.4Confident85.8Confident17 Ų1742.1 Ų42.19%0.09119%0.186CC..EExtended strand (participates in β ladder)trans-101.8132.9-173.3-167.242.4000112.5T161 W184 I185 V187 G188 T263T161-D243 WeakPolarHBondContact CG2-OD2 3.39Å; T161-D243 PolarHBondContact OG1-OD1 2.79Å; W184-D243 HydrophobicContact CZ2-CB 3.7Å; I185-D243 PolarHBondContact O-N 3.03Å; V187-D243 PolarHBondContact N-O 3.49Å; V187-D243 VanDerWaalsContact N-O 3.09Å; G188-D243 PolarHBondContact N-O 2.84Å; D243-T263 WeakPolarHBondContact CA-OG1 3.24Å; D243-T263 PolarHBondContact OD1-OG1 2.78Å
244D83.7Confident86Confident19 Ų1931.9 Ų31.910%0.10215%0.148CC..EExtended strand (participates in β ladder)trans51.863.6-178.4-154.244.6000113.9G188 W246 T263 R265G188-D244 CarbonylContact C-O 3.58Å; G188-D244 WeakPolarHBondContact CA-O 3.23Å; G188-D244 PolarHBondContact N-O 2.88Å; D244-W246 PolarHBondContact OD2-NE1 3.09Å; D244-T263 WeakPolarHBondContact CA-O 3.28Å; D244-T263 PolarHBondContact N-O 2.79Å; D244-T263 VanDerWaalsContact N-O 3.13Å; D244-T263 PolarHBondContact N-OG1 3.24Å; D244-R265 IonicContact OD1-CZ 3.87Å; D244-R265 IonicContact OD1-NE 3.69Å; D244-R265 PolarHBondContact OD1-NE 3.27Å; D244-R265 VanDerWaalsContact OD1-NE 3.1Å; D244-R265 IonicContact OD1-NH2 2.81Å; D244-R265 IonicContact OD2-CZ 3.44Å; D244-R265 IonicContact OD2-NE 3.44Å; D244-R265 IonicContact OD2-NH2 3.17Å; D244-R265 PolarHBondContact OD2-NH2 2.99Å
245I83.9Confident86.1Confident1 Ų131.3 Ų31.31%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-78.6132.8174.8-55.7-172.5000110.8L242 L251 I262 T263 T264 V269L242-I245 HydrophobicContact CB-CD1 3.57Å; L242-I245 HydrophobicContact CB-CG1 4.03Å; L242-I245 HydrophobicContact CD1-CD1 3.71Å; L242-I245 HydrophobicContact CG-CD1 4.3Å; I245-L251 HydrophobicContact CD1-CD1 3.6Å; I245-I262 HydrophobicContact CB-CG2 4.14Å; I245-I262 HydrophobicContact CD1-CB 4.33Å; I245-I262 HydrophobicContact CD1-CD1 4.31Å; I245-I262 HydrophobicContact CD1-CG1 4.02Å; I245-I262 HydrophobicContact CD1-CG2 3.47Å; I245-I262 VanDerWaalsContact CD1-CG2 3.47Å; I245-I262 HydrophobicContact CG1-CG2 3.82Å; I245-T263 PolarHBondContact N-O 3.33Å; I245-T264 WeakPolarHBondContact O-CB 3.22Å; I245-T264 PolarHBondContact O-OG1 3.12Å; I245-V269 HydrophobicContact CG2-CB 4.36Å; I245-V269 HydrophobicContact CG2-CG1 4.46Å; I245-V269 HydrophobicContact CG2-CG2 4.48Å
246W78.4Confident85.9Confident94 Ų9428.9 Ų28.936%0.35614%0.138SC..  trans-106.4-37.3179.9-72.170.3000114.4G188 K189 D244 R265 V269G188-W246 VanDerWaalsContact C-CD1 3.44Å; K189-W246 HydrophobicContact CB-CD2 3.97Å; K189-W246 HydrophobicContact CB-CG 3.91Å; K189-W246 HydrophobicContact CD-CB 3.64Å; K189-W246 HydrophobicContact CD-CD2 4.06Å; K189-W246 HydrophobicContact CD-CE3 4.21Å; K189-W246 HydrophobicContact CD-CG 3.84Å; K189-W246 HydrophobicContact CG-CD2 4.4Å; K189-W246 HydrophobicContact CG-CG 4.42Å; D244-W246 PolarHBondContact OD2-NE1 3.09Å; W246-R265 VanDerWaalsContact CZ2-CZ 3.4Å; W246-V269 WeakPolarHBondContact O-CG1 3.41Å
247D76.4Confident85.7Confident34 Ų3430.5 Ų30.518%0.18214%0.14CC..  trans-123.5145-171.8-57.3-28.3000111.9K189 W249 V250K189-D247 IonicContact NZ-OD1 3.23Å; K189-D247 PolarHBondContact NZ-OD1 3.05Å; K189-D247 IonicContact NZ-OD2 3.33Å; K189-D247 PolarHBondContact NZ-OD2 2.99Å; D247-W249 VanDerWaalsContact C-N 3.35Å; D247-W249 HydrophobicContact CB-CG 4.37Å; D247-W249 VanDerWaalsContact CB-NE1 3.28Å; D247-W249 PolarHBondContact O-N 2.9Å; D247-W249 PolarHBondContact OD2-NE1 2.62Å; D247-V250 HydrophobicContact CB-CG2 4.21Å; D247-V250 PolarHBondContact O-N 3.37Å
248S78.6Confident85.6Confident37 Ų3725.1 Ų25.126%0.25912%0.121SC..Hα-helixtrans-69.2-29.3-177.9-30.50000113.6V250 L251 K252 V269S248-V250 VanDerWaalsContact C-N 3.33Å; S248-V250 PolarHBondContact O-N 3.07Å; S248-L251 WeakPolarHBondContact O-CB 3.28Å; S248-L251 PolarHBondContact O-N 3.29Å; S248-K252 PolarHBondContact O-N 2.95Å; S248-V269 WeakPolarHBondContact CB-O 3.39Å
249W80.5Confident85.6Confident47 Ų4725.2 Ų25.218%0.17812%0.121CC..Hα-helixtrans-68.2-32.2178.471.9-89.3000112.5K192 L195 D247 L251 K252K192-W249 HydrophobicContact CB-CH2 4.46Å; K192-W249 HydrophobicContact CG-CH2 3.91Å; K192-W249 HydrophobicContact CG-CZ3 3.83Å; L195-W249 HydrophobicContact CB-CH2 4.22Å; L195-W249 HydrophobicContact CB-CZ3 4.48Å; L195-W249 HydrophobicContact CD2-CE3 4.23Å; L195-W249 HydrophobicContact CD2-CH2 3.89Å; L195-W249 HydrophobicContact CD2-CZ3 3.44Å; L195-W249 VanDerWaalsContact CD2-CZ3 3.44Å; D247-W249 VanDerWaalsContact C-N 3.35Å; D247-W249 HydrophobicContact CB-CG 4.37Å; D247-W249 VanDerWaalsContact CB-NE1 3.28Å; D247-W249 PolarHBondContact O-N 2.9Å; D247-W249 PolarHBondContact OD2-NE1 2.62Å; W249-L251 PolarHBondContact O-N 3.18Å; W249-K252 WeakPolarHBondContact O-CB 3.42Å; W249-K252 PolarHBondContact O-N 3.44Å
250V85.4Confident85.6Confident2 Ų225.2 Ų25.21%0.01212%0.121CC..Hα-helixtrans-61.2-38.91741760000110V187 L195 D247 S248 K252 A253 F254V187-V250 HydrophobicContact CG1-CG1 3.68Å; L195-V250 HydrophobicContact CD1-CG1 3.76Å; L195-V250 HydrophobicContact CD2-CB 4.36Å; L195-V250 HydrophobicContact CD2-CG1 4.07Å; L195-V250 HydrophobicContact CD2-CG2 4.33Å; D247-V250 HydrophobicContact CB-CG2 4.21Å; D247-V250 PolarHBondContact O-N 3.37Å; S248-V250 VanDerWaalsContact C-N 3.33Å; S248-V250 PolarHBondContact O-N 3.07Å; V250-K252 VanDerWaalsContact C-N 3.33Å; V250-K252 PolarHBondContact O-N 2.9Å; V250-A253 WeakPolarHBondContact O-CB 3.38Å; V250-A253 PolarHBondContact O-N 2.87Å; V250-F254 HydrophobicContact CG1-CE2 4.2Å; V250-F254 WeakPolarHBondContact O-CD2 3.44Å
251L86.2Confident85.6Confident0 Ų025.2 Ų25.20%012%0.121CC..Hα-helixtrans-68.3-32.4178.9-162.360.2000112.6W149 L242 I245 S248 W249 A253 F254 D255 I262 T270 V273W149-L251 HydrophobicContact CE3-CD1 4.16Å; W149-L251 HydrophobicContact CE3-CD2 4.37Å; W149-L251 HydrophobicContact CE3-CG 4.45Å; W149-L251 HydrophobicContact CH2-CD1 4.11Å; W149-L251 HydrophobicContact CH2-CG 4.17Å; W149-L251 HydrophobicContact CZ3-CD1 3.43Å; W149-L251 VanDerWaalsContact CZ3-CD1 3.43Å; W149-L251 HydrophobicContact CZ3-CD2 4.25Å; W149-L251 HydrophobicContact CZ3-CG 3.84Å; L242-L251 HydrophobicContact CD1-CD1 3.68Å; I245-L251 HydrophobicContact CD1-CD1 3.6Å; S248-L251 WeakPolarHBondContact O-CB 3.28Å; S248-L251 PolarHBondContact O-N 3.29Å; W249-L251 PolarHBondContact O-N 3.18Å; L251-A253 PolarHBondContact O-N 3.11Å; L251-F254 CarbonylContact O-C 3.56Å; L251-F254 PolarHBondContact O-N 2.87Å; L251-D255 PolarHBondContact O-N 3.4Å; L251-I262 HydrophobicContact CD1-CD1 3.62Å; L251-I262 HydrophobicContact CD1-CG1 4.22Å; L251-I262 HydrophobicContact CD2-CD1 3.61Å; L251-I262 HydrophobicContact CG-CD1 4.27Å; L251-T270 HydrophobicContact CD2-CG2 3.97Å; L251-V273 HydrophobicContact CB-CG2 4.06Å; L251-V273 HydrophobicContact CD2-CG2 3.41Å; L251-V273 VanDerWaalsContact CD2-CG2 3.41Å; L251-V273 HydrophobicContact CG-CG2 3.6Å
252K84.3Confident85.6Confident89 Ų8925.2 Ų25.239%0.38712%0.121SC..Hα-helixtrans-59.9-30.1174-65.3-179-179.6174.30112.6K224 S248 W249 V250 F254 D255K224-K252 PolarHBondContact NZ-O 3.29Å; S248-K252 PolarHBondContact O-N 2.95Å; W249-K252 WeakPolarHBondContact O-CB 3.42Å; W249-K252 PolarHBondContact O-N 3.44Å; V250-K252 VanDerWaalsContact C-N 3.33Å; V250-K252 PolarHBondContact O-N 2.9Å; K252-F254 VanDerWaalsContact C-N 3.28Å; K252-F254 PolarHBondContact O-N 3.42Å; K252-D255 PolarHBondContact O-N 3.19Å
253A86Confident85.5Confident7 Ų725.2 Ų25.26%0.05812%0.121CC..Hα-helixtrans-70.6-24.4175.900000112.9L195 L199 I220 K224 V250 L251L195-A253 HydrophobicContact CD2-CB 3.89Å; L199-A253 HydrophobicContact CD1-CB 4.32Å; I220-A253 HydrophobicContact CG2-CB 3.85Å; K224-A253 WeakPolarHBondContact CG-O 3.4Å; V250-A253 WeakPolarHBondContact O-CB 3.38Å; V250-A253 PolarHBondContact O-N 2.87Å; L251-A253 PolarHBondContact O-N 3.11Å
254F88.3Confident85.2Confident1 Ų124.4 Ų24.40%0.00412%0.117CC..THydrogen-bonded Turntrans-98.60.7177-66.8-75.1000113.6I185 V187 L195 L199 L202 L227 L240 L242 V250 L251 K252 N256I185-F254 HydrophobicContact CD1-CE1 4.01Å; I185-F254 HydrophobicContact CD1-CZ 4.47Å; V187-F254 HydrophobicContact CG2-CE2 4.34Å; L195-F254 HydrophobicContact CD1-CE2 3.81Å; L195-F254 HydrophobicContact CD1-CZ 4.16Å; L199-F254 HydrophobicContact CD2-CD1 4Å; L199-F254 HydrophobicContact CD2-CE1 3.3Å; L199-F254 HydrophobicContact CD2-CE2 4.38Å; L199-F254 HydrophobicContact CD2-CZ 3.52Å; L199-F254 HydrophobicContact CG-CE1 4.46Å; L199-F254 HydrophobicContact CG-CZ 4.27Å; L202-F254 HydrophobicContact CD2-CE1 4.13Å; L227-F254 HydrophobicContact CD2-CD1 3.92Å; L227-F254 HydrophobicContact CD2-CE1 4.21Å; L240-F254 HydrophobicContact CD2-CD1 3.91Å; L242-F254 HydrophobicContact CD1-CB 3.84Å; L242-F254 HydrophobicContact CD1-CD1 4.49Å; L242-F254 HydrophobicContact CD1-CD2 3.79Å; L242-F254 HydrophobicContact CD1-CE2 4.47Å; L242-F254 HydrophobicContact CD1-CG 3.79Å; L242-F254 HydrophobicContact CD2-CD1 3.99Å; L242-F254 HydrophobicContact CD2-CD2 4.14Å; L242-F254 HydrophobicContact CD2-CE1 3.98Å; L242-F254 HydrophobicContact CD2-CE2 4.14Å; L242-F254 HydrophobicContact CD2-CG 4.06Å; L242-F254 HydrophobicContact CD2-CZ 4.06Å; V250-F254 HydrophobicContact CG1-CE2 4.2Å; V250-F254 WeakPolarHBondContact O-CD2 3.44Å; L251-F254 CarbonylContact O-C 3.56Å; L251-F254 PolarHBondContact O-N 2.87Å; K252-F254 VanDerWaalsContact C-N 3.28Å; K252-F254 PolarHBondContact O-N 3.42Å; F254-N256 PolarHBondContact O-N 3.21Å
255D85.8Confident85.1Confident52 Ų5226.5 Ų26.528%0.27812%0.123SC..  trans-73.879.2175.7-173.315.8000111.2W149 K224 L251 K252 V273W149-D255 HydrophobicContact CH2-CB 4.39Å; W149-D255 HydrophobicContact CZ2-CB 4.22Å; K224-D255 WeakPolarHBondContact CE-O 3.38Å; K224-D255 PolarHBondContact NZ-O 3.3Å; L251-D255 PolarHBondContact O-N 3.4Å; K252-D255 PolarHBondContact O-N 3.19Å; D255-V273 HydrophobicContact CB-CG1 3.93Å
256N80.7Confident84.4Confident2 Ų229.9 Ų29.91%0.01114%0.142CC..SBendtrans-119.327.3-171.7-68.6-30.5000112.7K224 L227 R228 F254 C258K224-N256 VanDerWaalsContact CE-OD1 3.22Å; K224-N256 WeakPolarHBondContact CE-OD1 3.46Å; K224-N256 WeakPolarHBondContact CG-OD1 3.29Å; K224-N256 PolarHBondContact O-OD1 3.18Å; L227-N256 WeakPolarHBondContact CD2-ND2 3.4Å; R228-N256 HydrophobicContact CB-CB 3.98Å; R228-N256 HydrophobicContact CG-CB 4.33Å; F254-N256 PolarHBondContact O-N 3.21Å; N256-C258 PolarHBondContact O-N 3.24Å; N256-C258 PolarHBondContact O-SG 3.45Å; N256-C258 VanDerWaalsContact O-SG 3.35Å
257Q82.3Confident84.4Confident104 Ų10432.7 Ų32.749%0.48615%0.152SC..SBendtrans55.836.7-175.4-55.8177.7-37.800112.4P147P147-Q257 HydrophobicContact CB-CB 4.5Å; P147-Q257 HydrophobicContact CG-CB 4.11Å; P147-Q257 WeakPolarHBondContact CG-O 3.32Å
258C84.4Confident84.3Confident14 Ų1433.1 Ų33.110%0.09516%0.158CC..  trans-103.9165.3179-650000111G148 M231 N256 V260G148-C258 PolarHBondContact N-O 3Å; M231-C258 WeakPolarHBondContact CB-SG 3.4Å; M231-C258 HydrophobicContact CE-CB 4.48Å; N256-C258 PolarHBondContact O-N 3.24Å; N256-C258 PolarHBondContact O-SG 3.45Å; N256-C258 VanDerWaalsContact O-SG 3.35Å; C258-V260 HydrophobicContact CB-CG2 4.17Å
259Q90.5Very high84.3Confident9 Ų931.3 Ų31.34%0.04215%0.145CC..EExtended strand (participates in β ladder)trans-84.3122.1166.2-68.7176.6-30.100108.3L143 G144 D146 F178 L239 L240L143-Q259 HydrophobicContact CD1-CB 4.48Å; G144-Q259 PolarHBondContact O-NE2 3.48Å; D146-Q259 VanDerWaalsContact O-CG 3.31Å; D146-Q259 WeakPolarHBondContact O-CG 3.18Å; D146-Q259 PolarHBondContact O-NE2 2.94Å; F178-Q259 HydrophobicContact CE1-CB 4.42Å; L239-Q259 HydrophobicContact CD1-CB 4.14Å; L240-Q259 PolarHBondContact N-O 2.57Å
260V92.4Very high84.3Confident0 Ų029.1 Ų29.10%014%0.137CC..EExtended strand (participates in β ladder)trans-128.4130.9-172.1-169.20000111.7G148 W149 V150 L240 L242 C258 I262G148-V260 PolarHBondContact O-N 3.16Å; W149-V260 WeakPolarHBondContact CA-O 3.49Å; W149-V260 HydrophobicContact CD2-CB 4.41Å; W149-V260 HydrophobicContact CE3-CB 3.52Å; W149-V260 HydrophobicContact CE3-CG1 3.9Å; W149-V260 HydrophobicContact CE3-CG2 4.01Å; W149-V260 HydrophobicContact CH2-CB 4.35Å; W149-V260 HydrophobicContact CH2-CG2 3.95Å; W149-V260 HydrophobicContact CZ3-CB 3.5Å; W149-V260 HydrophobicContact CZ3-CG1 3.65Å; W149-V260 HydrophobicContact CZ3-CG2 3.58Å; V150-V260 PolarHBondContact N-O 2.85Å; L240-V260 HydrophobicContact CB-CG2 4.35Å; L240-V260 CarbonylContact O-C 3.59Å; L240-V260 VanDerWaalsContact O-CA 3.27Å; L240-V260 WeakPolarHBondContact O-CA 3.25Å; L242-V260 HydrophobicContact CD1-CG1 3.68Å; L242-V260 HydrophobicContact CG-CG1 3.84Å; C258-V260 HydrophobicContact CB-CG2 4.17Å; V260-I262 HydrophobicContact CG1-CG1 4.03Å
261L94.1Very high83.9Confident0 Ų034.6 Ų34.60%017%0.166CC..EExtended strand (participates in β ladder)trans-110.6121.6173.3176.659000109.1L140 V150 V152 T164 L168 L239 L240 V241 L242L140-L261 HydrophobicContact CD1-CD2 4.11Å; L140-L261 HydrophobicContact CD2-CB 4.36Å; L140-L261 HydrophobicContact CD2-CD1 4.3Å; L140-L261 HydrophobicContact CD2-CD2 4.2Å; V150-L261 HydrophobicContact CB-CD1 3.8Å; V150-L261 HydrophobicContact CG1-CD1 3.61Å; V150-L261 CarbonylContact O-C 3.59Å; V150-L261 WeakPolarHBondContact O-CA 3.39Å; V150-L261 WeakPolarHBondContact O-CD1 3.36Å; V152-L261 HydrophobicContact CG2-CD1 4.13Å; T164-L261 HydrophobicContact CG2-CD1 4.21Å; T164-L261 HydrophobicContact CG2-CD2 3.31Å; T164-L261 HydrophobicContact CG2-CG 3.61Å; L168-L261 HydrophobicContact CD1-CD2 4.28Å; L168-L261 HydrophobicContact CD2-CD2 4.33Å; L168-L261 HydrophobicContact CG-CD2 4.47Å; L239-L261 HydrophobicContact CD1-CB 4.17Å; L239-L261 HydrophobicContact CD2-CB 4.3Å; L239-L261 HydrophobicContact CD2-CD2 4.17Å; L239-L261 HydrophobicContact CG-CB 4.46Å; L240-L261 PolarHBondContact O-N 3.22Å; V241-L261 CarbonylContact C-O 3.52Å; V241-L261 VanDerWaalsContact CA-O 3.29Å; V241-L261 WeakPolarHBondContact CA-O 3.47Å; V241-L261 HydrophobicContact CG1-CB 4.39Å; V241-L261 HydrophobicContact CG1-CD2 4.44Å; V241-L261 HydrophobicContact CG1-CG 4.32Å; V241-L261 HydrophobicContact CG2-CB 4.32Å; V241-L261 HydrophobicContact CG2-CD2 4.37Å; L242-L261 PolarHBondContact N-O 2.93Å
262I93.4Very high83.2Confident0 Ų036.6 Ų36.60%018%0.183CC..EExtended strand (participates in β ladder)trans-113.2137.8-173.6-58166.3000109.8W149 V150 V152 L242 I245 L251 V260 T264 T270W149-I262 HydrophobicContact CE3-CD1 3.71Å; W149-I262 HydrophobicContact CE3-CG1 4.4Å; W149-I262 HydrophobicContact CZ3-CD1 4.22Å; V150-I262 PolarHBondContact O-N 3.39Å; V152-I262 PolarHBondContact N-O 2.71Å; L242-I262 WeakPolarHBondContact O-CA 3.24Å; I245-I262 HydrophobicContact CB-CG2 4.14Å; I245-I262 HydrophobicContact CD1-CB 4.33Å; I245-I262 HydrophobicContact CD1-CD1 4.31Å; I245-I262 HydrophobicContact CD1-CG1 4.02Å; I245-I262 HydrophobicContact CD1-CG2 3.47Å; I245-I262 VanDerWaalsContact CD1-CG2 3.47Å; I245-I262 HydrophobicContact CG1-CG2 3.82Å; L251-I262 HydrophobicContact CD1-CD1 3.62Å; L251-I262 HydrophobicContact CD1-CG1 4.22Å; L251-I262 HydrophobicContact CD2-CD1 3.61Å; L251-I262 HydrophobicContact CG-CD1 4.27Å; V260-I262 HydrophobicContact CG1-CG1 4.03Å; I262-T264 HydrophobicContact CG2-CG2 4.35Å; I262-T270 HydrophobicContact CD1-CG2 3.75Å
263T90.3Very high83Confident0 Ų032.7 Ų32.70%017%0.167CC..EExtended strand (participates in β ladder)trans-107.1134.915978.40000109.9V152 T164 L242 D243 D244 I245V152-T263 WeakPolarHBondContact O-CA 3.29Å; T164-T263 HydrophobicContact CG2-CG2 3.97Å; T164-T263 VanDerWaalsContact OG1-CG2 3.26Å; T164-T263 WeakPolarHBondContact OG1-CG2 3.01Å; L242-T263 PolarHBondContact O-N 3.41Å; D243-T263 WeakPolarHBondContact CA-OG1 3.24Å; D243-T263 PolarHBondContact OD1-OG1 2.78Å; D244-T263 WeakPolarHBondContact CA-O 3.28Å; D244-T263 PolarHBondContact N-O 2.79Å; D244-T263 VanDerWaalsContact N-O 3.13Å; D244-T263 PolarHBondContact N-OG1 3.24Å; I245-T263 PolarHBondContact N-O 3.33Å
264T84.4Confident82.6Confident0 Ų036.6 Ų36.60%019%0.193CC..EExtended strand (participates in β ladder)trans-152.2162.8-178.7-179.30000112.1T151 V152 Y153 G154 K160 I245 I262 D266 V269T151-T264 HydrophobicContact CG2-CG2 3.64Å; V152-T264 PolarHBondContact O-N 2.79Å; Y153-T264 VanDerWaalsContact CA-O 3.24Å; Y153-T264 WeakPolarHBondContact CA-O 3.44Å; G154-T264 PolarHBondContact N-O 2.95Å; K160-T264 WeakPolarHBondContact CD-O 3.31Å; K160-T264 WeakPolarHBondContact CE-O 3.4Å; I245-T264 WeakPolarHBondContact O-CB 3.22Å; I245-T264 PolarHBondContact O-OG1 3.12Å; I262-T264 HydrophobicContact CG2-CG2 4.35Å; T264-D266 WeakPolarHBondContact CG2-O 3.17Å; T264-D266 PolarHBondContact OG1-N 3.22Å; T264-D266 PolarHBondContact OG1-O 3.41Å; T264-V269 HydrophobicContact CG2-CG2 3.97Å
265R80.2Confident82.3Confident63 Ų6339.1 Ų39.124%0.23822%0.22CC..SBendtrans-89.9-24.2169.9-56.9177.2-161.8-171.59.3111.5D244 W246 D439D244-R265 IonicContact OD1-CZ 3.87Å; D244-R265 IonicContact OD1-NE 3.69Å; D244-R265 PolarHBondContact OD1-NE 3.27Å; D244-R265 VanDerWaalsContact OD1-NE 3.1Å; D244-R265 IonicContact OD1-NH2 2.81Å; D244-R265 IonicContact OD2-CZ 3.44Å; D244-R265 IonicContact OD2-NE 3.44Å; D244-R265 IonicContact OD2-NH2 3.17Å; D244-R265 PolarHBondContact OD2-NH2 2.99Å; W246-R265 VanDerWaalsContact CZ2-CZ 3.4Å; R265-D439 IonicContact CZ-OD2 2.89Å; R265-D439 IonicContact NH2-OD2 3.21Å; R265-D439 PolarHBondContact NH2-OD2 3.34Å
266D70.6Confident82.2Confident73 Ų7340.5 Ų40.539%0.3923%0.227SC..  trans-119.1127.1-175.7-173.73.8000110.7T264 S268 V269T264-D266 WeakPolarHBondContact CG2-O 3.17Å; T264-D266 PolarHBondContact OG1-N 3.22Å; T264-D266 PolarHBondContact OG1-O 3.41Å; D266-S268 VanDerWaalsContact C-N 3.27Å; D266-S268 PolarHBondContact O-N 3.28Å; D266-S268 WeakPolarHBondContact OD1-CB 3.28Å; D266-S268 PolarHBondContact OD1-N 2.92Å; D266-S268 PolarHBondContact OD1-OG 3.32Å; D266-S268 PolarHBondContact OD2-OG 3.07Å; D266-V269 HydrophobicContact CB-CG1 4.33Å; D266-V269 WeakPolarHBondContact O-CG2 3.02Å
267R77.2Confident82.6Confident152 Ų15244 Ų4457%0.57424%0.242SC*.G310 helixtrans-67.4-29176.867.2178.6-173147.84.6112.8Y153 V269 T270Y153-R267 HydrophobicContact CD1-CB 4.45Å; Y153-R267 HydrophobicContact CD2-CB 4.15Å; Y153-R267 HydrophobicContact CE2-CB 4.27Å; Y153-R267 HydrophobicContact CG-CB 4.24Å; R267-V269 PolarHBondContact O-N 3.31Å; R267-V269 VanDerWaalsContact O-N 3.15Å; R267-T270 PolarHBondContact O-N 3.01Å; R267-T270 PolarHBondContact O-OG1 3.44Å
268S75Confident83Confident43 Ų4341.9 Ų41.930%0.30123%0.23SC..G310 helixtrans-67.2-17.8-169.979.80000113.6D266 T270 D271D266-S268 VanDerWaalsContact C-N 3.27Å; D266-S268 PolarHBondContact O-N 3.28Å; D266-S268 WeakPolarHBondContact OD1-CB 3.28Å; D266-S268 PolarHBondContact OD1-N 2.92Å; D266-S268 PolarHBondContact OD1-OG 3.32Å; D266-S268 PolarHBondContact OD2-OG 3.07Å; S268-T270 PolarHBondContact O-N 3.45Å; S268-T270 VanDerWaalsContact O-N 3.08Å; S268-D271 VanDerWaalsContact O-CB 3.3Å; S268-D271 WeakPolarHBondContact O-CB 3.14Å; S268-D271 PolarHBondContact O-N 3.31Å
269V78.7Confident83.1Confident0 Ų045.4 Ų45.40%025%0.245CC..G310 helixtrans-58.1-28.5-178.8-58.80000113I245 W246 S248 T264 D266 R267I245-V269 HydrophobicContact CG2-CB 4.36Å; I245-V269 HydrophobicContact CG2-CG1 4.46Å; I245-V269 HydrophobicContact CG2-CG2 4.48Å; W246-V269 WeakPolarHBondContact O-CG1 3.41Å; S248-V269 WeakPolarHBondContact CB-O 3.39Å; T264-V269 HydrophobicContact CG2-CG2 3.97Å; D266-V269 HydrophobicContact CB-CG1 4.33Å; D266-V269 WeakPolarHBondContact O-CG2 3.02Å; R267-V269 PolarHBondContact O-N 3.31Å; R267-V269 VanDerWaalsContact O-N 3.15Å
270T81.1Confident83.1Confident1 Ų145.6 Ų45.61%0.00625%0.246CC..G310 helixtrans-85-6179.861.50000114.5T151 L251 I262 R267 S268 A272 V273 K277T151-T270 HydrophobicContact CG2-CG2 4.12Å; T151-T270 WeakPolarHBondContact OG1-CG2 3.37Å; L251-T270 HydrophobicContact CD2-CG2 3.97Å; I262-T270 HydrophobicContact CD1-CG2 3.75Å; R267-T270 PolarHBondContact O-N 3.01Å; R267-T270 PolarHBondContact O-OG1 3.44Å; S268-T270 PolarHBondContact O-N 3.45Å; S268-T270 VanDerWaalsContact O-N 3.08Å; T270-A272 PolarHBondContact O-N 2.81Å; T270-V273 PolarHBondContact O-N 2.84Å; T270-K277 WeakPolarHBondContact O-CE 3.47Å; T270-K277 PolarHBondContact O-NZ 3.35Å
271D75.7Confident82.9Confident116 Ų11650.6 Ų50.662%0.6227%0.27SS*.G310 helixtrans-66-29.9177.7-68.3-24.7000111.8S268 V273S268-D271 VanDerWaalsContact O-CB 3.3Å; S268-D271 WeakPolarHBondContact O-CB 3.14Å; S268-D271 PolarHBondContact O-N 3.31Å; D271-V273 PolarHBondContact O-N 2.64Å
272A71.9Confident82.5Confident43 Ų4350.7 Ų50.736%0.35527%0.27SS..G310 helixtrans-74.8-7.2-178.200000115T270T270-A272 PolarHBondContact O-N 2.81Å
273V80.3Confident81.8Confident7 Ų756.5 Ų56.54%0.04230%0.297CS..SBendtrans-116.3150.7-173.7-154.70000110.9W149 L251 D255 T270 D271 K277W149-V273 HydrophobicContact CH2-CG1 4.03Å; W149-V273 HydrophobicContact CZ2-CB 4.24Å; W149-V273 HydrophobicContact CZ2-CG1 3.25Å; L251-V273 HydrophobicContact CB-CG2 4.06Å; L251-V273 HydrophobicContact CD2-CG2 3.41Å; L251-V273 VanDerWaalsContact CD2-CG2 3.41Å; L251-V273 HydrophobicContact CG-CG2 3.6Å; D255-V273 HydrophobicContact CB-CG1 3.93Å; T270-V273 PolarHBondContact O-N 2.84Å; D271-V273 PolarHBondContact O-N 2.64Å; V273-K277 WeakPolarHBondContact O-CE 3.23Å; V273-K277 PolarHBondContact O-NZ 2.87Å
274S77.9Confident80.7Confident88 Ų8859.9 Ų59.962%0.61532%0.321SS*.  trans-98.3163.9179.468.60000111.7W149W149-S274 PolarHBondContact NE1-O 3.35Å
275G81.8Confident80.1Confident54 Ų5460.4 Ų60.456%0.55733%0.326SS*.SBendtrans106.6-173.6178.300000114.8K277G275-K277 PolarHBondContact O-N 2.81Å
276N84.4Confident80.1Confident81 Ų8158.4 Ų58.443%0.43332%0.32SS..EExtended strand (participates in β ladder)trans-69.6126.5-178.3-69.5-24.1000110.5G148 W149G148-N276 WeakPolarHBondContact CA-O 3.49Å; W149-N276 PolarHBondContact N-O 3.49Å
277K87.3Confident80.7Confident77 Ų7757.8 Ų57.834%0.33533%0.325SS..EExtended strand (participates in β ladder)trans-123.2133.6-178.1-53.5179-162.2-176.40110.8W149 T270 V273 G275W149-K277 HydrophobicContact CB-CG 4.47Å; W149-K277 CarbonylContact O-C 3.58Å; W149-K277 WeakPolarHBondContact O-CA 3.46Å; T270-K277 WeakPolarHBondContact O-CE 3.47Å; T270-K277 PolarHBondContact O-NZ 3.35Å; V273-K277 WeakPolarHBondContact O-CE 3.23Å; V273-K277 PolarHBondContact O-NZ 2.87Å; G275-K277 PolarHBondContact O-N 2.81Å
278Y90.8Very high80.9Confident59 Ų5953.8 Ų53.823%0.23131%0.313CS..EExtended strand (participates in β ladder)trans-127.7131.6174.1-60.1-70.3000109.9K139 C142 L143 W149 V150 T151K139-Y278 HydrophobicContact CB-CG 4.48Å; K139-Y278 HydrophobicContact CD-CD1 3.98Å; K139-Y278 HydrophobicContact CD-CG 4.15Å; C142-Y278 HydrophobicContact CB-CE1 4.32Å; C142-Y278 HydrophobicContact CB-CE2 4.03Å; C142-Y278 PolarHBondContact O-OH 2.58Å; L143-Y278 HydrophobicContact CD2-CD2 4.03Å; L143-Y278 HydrophobicContact CD2-CE2 3.9Å; L143-Y278 HydrophobicContact CG-CE2 4.43Å; W149-Y278 PolarHBondContact O-N 3.34Å; V150-Y278 CarbonylContact C-O 3.56Å; V150-Y278 WeakPolarHBondContact CA-O 3.33Å; V150-Y278 HydrophobicContact CG2-CD2 4.13Å; T151-Y278 PolarHBondContact N-O 3.27Å
279E88.2Confident81.4Confident88 Ų8859.1 Ų59.141%0.41133%0.333SS..EExtended strand (participates in β ladder)trans-114.7141.5-177.2-66.2176.5-163.300111.8T151 Y153T151-E279 CarbonylContact O-C 3.56Å; Y153-E279 HydrophobicContact CE1-CB 4.26Å
280I90.4Very high81.7Confident13 Ų1362 Ų627%0.06735%0.345CS..EExtended strand (participates in β ladder)trans-134.4114.9178.9-56.7171.2000108.4I136 K139 V150 T151 V152 Y153I136-I280 VanDerWaalsContact CA-CD1 3.48Å; I136-I280 HydrophobicContact CB-CD1 4.05Å; I136-I280 HydrophobicContact CG1-CD1 3.58Å; I136-I280 HydrophobicContact CG1-CG2 4.38Å; K139-I280 HydrophobicContact CB-CD1 4.11Å; K139-I280 HydrophobicContact CG-CD1 3.94Å; K139-I280 HydrophobicContact CG-CG1 4.17Å; V150-I280 HydrophobicContact CG1-CD1 4.08Å; T151-I280 PolarHBondContact O-N 2.71Å; V152-I280 WeakPolarHBondContact CA-O 3.47Å; V152-I280 HydrophobicContact CG2-CD1 4.5Å; Y153-I280 WeakPolarHBondContact CD1-O 3.31Å; Y153-I280 PolarHBondContact N-O 3.29Å
281H86.6Confident81.7Confident105 Ų10561.9 Ų61.949%0.48635%0.345SS..EExtended strand (participates in β ladder)trans-85.1128.5176.9178.5-112.1000111.2Y153Y153-H281 HydrophobicContact CE1-CB 3.95Å; Y153-H281 HydrophobicContact CE2-CB 4.44Å; Y153-H281 AromaticContact CE2-CD2 3.53Å; Y153-H281 AromaticContact CZ-CD2 3.74Å
282V85.8Confident82.2Confident1 Ų157.1 Ų57.11%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-106.5119.2173.1-176.20000109.5L132 V152 Y153 K160 L163L132-V282 HydrophobicContact CD1-CG1 4.28Å; V152-V282 HydrophobicContact CG1-CG2 3.52Å; Y153-V282 PolarHBondContact O-N 3.25Å; K160-V282 HydrophobicContact CG-CB 4.44Å; K160-V282 HydrophobicContact CG-CG2 4.45Å; L163-V282 HydrophobicContact CD1-CG1 3.72Å; L163-V282 HydrophobicContact CD1-CG2 3.99Å
283E78.6Confident82.8Confident123 Ų12358 Ų5858%0.57532%0.316SS*.  trans-53.7146.8175.7-64.9172.7-177.600112.3C158 G285C158-E283 WeakPolarHBondContact CB-O 3.5Å; E283-G285 VanDerWaalsContact C-N 3.26Å; E283-G285 PolarHBondContact O-N 3.44Å
284S67.9Low82.9Confident71 Ų7158 Ų5850%0.49732%0.316SS..SBendtrans-63-27-17447.50000114.5C158C158-S284 WeakPolarHBondContact CB-O 2.82Å
285G71.4Confident83.2Confident11 Ų1153.8 Ų53.811%0.11329%0.287CS..SBendtrans-137161.6179.100000112.8E283 G319E283-G285 VanDerWaalsContact C-N 3.26Å; E283-G285 PolarHBondContact O-N 3.44Å; G285-G319 CarbonylContact C-O 3.5Å; G285-G319 WeakPolarHBondContact CA-O 3.15Å
286L79.8Confident83.4Confident20 Ų2051.7 Ų51.711%0.10526%0.263CS..  trans-66.5147.5167.6-63.4172.7000110.1K290 V294 G319 P321L286-K290 HydrophobicContact CB-CB 4.32Å; L286-V294 HydrophobicContact CD1-CG2 4.04Å; L286-G319 PolarHBondContact N-O 2.94Å; L286-P321 HydrophobicContact CD1-CB 4.04Å; L286-P321 HydrophobicContact CD1-CG 4.05Å; L286-P321 HydrophobicContact CD2-CG 4.24Å; L286-P321 HydrophobicContact CG-CB 4.4Å; L286-P321 HydrophobicContact CG-CG 3.85Å
287A83.3Confident83.3Confident61 Ų6151.4 Ų51.450%0.50426%0.262SS..  trans-55.9144.7165.200000110.1E289 K290 G291A287-E289 VanDerWaalsContact C-N 3.25Å; A287-E289 PolarHBondContact O-N 2.86Å; A287-E289 VanDerWaalsContact O-N 3.15Å; A287-K290 HydrophobicContact CB-CG 4.49Å; A287-K290 WeakPolarHBondContact O-CA 3.4Å; A287-K290 WeakPolarHBondContact O-CB 3.38Å; A287-K290 PolarHBondContact O-N 2.99Å; A287-G291 PolarHBondContact O-N 3.22Å
288H82.7Confident82.9Confident67 Ų6747.9 Ų47.931%0.3125%0.246SC..Hα-helixtrans-50.7-43.9-174.6-171.173.4000113K290 G291 L292 N311H288-K290 PolarHBondContact O-N 2.97Å; H288-G291 PolarHBondContact O-N 2.73Å; H288-L292 PolarHBondContact O-N 2.71Å; H288-N311 PolarHBondContact CE1-O 3.21Å; H288-N311 PolarHBondContact NE2-OD1 2.86Å
289E85.1Confident82.6Confident155 Ų15546 Ų4672%0.72424%0.241SC*.Hα-helixtrans-60.2-42.6176.6-64.6178.1176.400112.9A287 L292 E293A287-E289 VanDerWaalsContact C-N 3.25Å; A287-E289 PolarHBondContact O-N 2.86Å; A287-E289 VanDerWaalsContact O-N 3.15Å; E289-L292 PolarHBondContact O-N 2.98Å; E289-E293 PolarHBondContact O-N 3.48Å
290K83.8Confident82.3Confident60 Ų6048.6 Ų48.626%0.26126%0.258SS..Hα-helixtrans-70.9-33178.4-66.1-54-163.6165.90111.8V127 L286 A287 H288 E293 V294V127-K290 HydrophobicContact CG1-CB 4.33Å; V127-K290 HydrophobicContact CG1-CD 3.65Å; V127-K290 HydrophobicContact CG1-CG 4.45Å; L286-K290 HydrophobicContact CB-CB 4.32Å; A287-K290 HydrophobicContact CB-CG 4.49Å; A287-K290 WeakPolarHBondContact O-CA 3.4Å; A287-K290 WeakPolarHBondContact O-CB 3.38Å; A287-K290 PolarHBondContact O-N 2.99Å; H288-K290 PolarHBondContact O-N 2.97Å; K290-E293 WeakPolarHBondContact CD-OE2 3.47Å; K290-E293 WeakPolarHBondContact CE-OE2 3.27Å; K290-E293 IonicContact NZ-OE1 3.81Å; K290-E293 IonicContact NZ-OE2 3.51Å; K290-E293 PolarHBondContact NZ-OE2 3.22Å; K290-E293 WeakPolarHBondContact O-CB 3.36Å; K290-E293 PolarHBondContact O-N 2.94Å; K290-V294 WeakPolarHBondContact O-CG2 3.43Å; K290-V294 PolarHBondContact O-N 2.92Å; K290-V294 VanDerWaalsContact O-N 3.08Å
291G82.8Confident82Confident0 Ų052.3 Ų52.30%027%0.273CS..Hα-helixtrans-63.3-41.9171.400000112.6A287 H288 V294 L295A287-G291 PolarHBondContact O-N 3.22Å; H288-G291 PolarHBondContact O-N 2.73Å; G291-V294 PolarHBondContact O-N 3.24Å; G291-L295 PolarHBondContact O-N 2.82Å
292L85.3Confident81.9Confident16 Ų1654.1 Ų54.18%0.08428%0.28CS..Hα-helixtrans-66.3-37.4173.3-68.2169.9000112.1H288 E289 V294 L295 S296 V303 L306 A310 N311 V314H288-L292 PolarHBondContact O-N 2.71Å; E289-L292 PolarHBondContact O-N 2.98Å; L292-V294 VanDerWaalsContact C-N 3.33Å; L292-V294 PolarHBondContact O-N 3.06Å; L292-L295 PolarHBondContact O-N 3Å; L292-S296 VanDerWaalsContact O-CB 3.32Å; L292-S296 WeakPolarHBondContact O-CB 3.38Å; L292-S296 PolarHBondContact O-N 2.8Å; L292-V303 HydrophobicContact CB-CG1 4.12Å; L292-V303 HydrophobicContact CD1-CG1 4.38Å; L292-L306 HydrophobicContact CB-CD1 4.37Å; L292-L306 HydrophobicContact CD2-CD1 4.27Å; L292-A310 HydrophobicContact CD2-CB 4.03Å; L292-N311 WeakPolarHBondContact CD1-OD1 3.04Å; L292-V314 HydrophobicContact CD2-CG2 3.97Å; L292-V314 HydrophobicContact CG-CG2 4.34Å
293E85.3Confident81.7Confident61 Ų6157.3 Ų57.329%0.28530%0.299SS..Hα-helixtrans-59.6-43.1175.3-168178.6173.300111.3V127 E289 K290 S296 L297V127-E293 HydrophobicContact CG1-CB 4.49Å; V127-E293 HydrophobicContact CG1-CG 4.31Å; V127-E293 WeakPolarHBondContact CG1-OE2 3.31Å; V127-E293 HydrophobicContact CG2-CB 4.33Å; V127-E293 HydrophobicContact CG2-CG 4.09Å; E289-E293 PolarHBondContact O-N 3.48Å; K290-E293 WeakPolarHBondContact CD-OE2 3.47Å; K290-E293 WeakPolarHBondContact CE-OE2 3.27Å; K290-E293 IonicContact NZ-OE1 3.81Å; K290-E293 IonicContact NZ-OE2 3.51Å; K290-E293 PolarHBondContact NZ-OE2 3.22Å; K290-E293 WeakPolarHBondContact O-CB 3.36Å; K290-E293 PolarHBondContact O-N 2.94Å; E293-S296 WeakPolarHBondContact CA-OG 3.48Å; E293-S296 WeakPolarHBondContact O-CB 3.47Å; E293-S296 PolarHBondContact O-N 2.91Å; E293-S296 PolarHBondContact O-OG 2.82Å; E293-L297 HydrophobicContact CG-CD1 4.46Å; E293-L297 WeakPolarHBondContact O-CG 3.39Å; E293-L297 PolarHBondContact O-N 2.83Å
294V82.4Confident81.9Confident7 Ų757.5 Ų57.54%0.04231%0.309CS..Hα-helixtrans-58-50.8173.8175.40000111V125 V127 L286 K290 G291 L292 S296 L297 F298 I324V125-V294 HydrophobicContact CG1-CG1 4.35Å; V127-V294 HydrophobicContact CB-CG2 4.19Å; V127-V294 HydrophobicContact CG2-CB 4.4Å; V127-V294 HydrophobicContact CG2-CG2 3.5Å; V127-V294 VanDerWaalsContact CG2-CG2 3.5Å; L286-V294 HydrophobicContact CD1-CG2 4.04Å; K290-V294 WeakPolarHBondContact O-CG2 3.43Å; K290-V294 PolarHBondContact O-N 2.92Å; K290-V294 VanDerWaalsContact O-N 3.08Å; G291-V294 PolarHBondContact O-N 3.24Å; L292-V294 VanDerWaalsContact C-N 3.33Å; L292-V294 PolarHBondContact O-N 3.06Å; V294-S296 VanDerWaalsContact C-N 3.29Å; V294-S296 PolarHBondContact O-N 2.82Å; V294-L297 PolarHBondContact O-N 2.81Å; V294-F298 HydrophobicContact CG1-CD2 3.75Å; V294-F298 HydrophobicContact CG1-CE2 3.71Å; V294-F298 WeakPolarHBondContact O-CD2 3.16Å; V294-F298 PolarHBondContact O-N 2.79Å; V294-I324 HydrophobicContact CB-CG2 3.92Å; V294-I324 HydrophobicContact CG1-CG2 3.75Å
295L83.1Confident82.7Confident0 Ų059.3 Ų59.30%031%0.309CS..Hα-helixtrans-61.2-38.7177.3-68.2179000111.9G291 L292 L297 F298 V299 A310 V314 I324 L331 W338G291-L295 PolarHBondContact O-N 2.82Å; L292-L295 PolarHBondContact O-N 3Å; L295-L297 VanDerWaalsContact C-N 3.32Å; L295-L297 PolarHBondContact O-N 3Å; L295-F298 PolarHBondContact O-N 3.33Å; L295-V299 VanDerWaalsContact O-CG2 3.24Å; L295-V299 WeakPolarHBondContact O-CG2 3.19Å; L295-V299 PolarHBondContact O-N 3.12Å; L295-A310 HydrophobicContact CD1-CB 4.43Å; L295-V314 HydrophobicContact CD1-CG2 3.59Å; L295-V314 HydrophobicContact CG-CG2 4.45Å; L295-I324 HydrophobicContact CD2-CG2 3.94Å; L295-I324 HydrophobicContact CG-CG2 3.92Å; L295-L331 HydrophobicContact CD2-CD1 4.38Å; L295-W338 HydrophobicContact CD1-CZ3 4.36Å
296S85.9Confident83.4Confident9 Ų960 Ų606%0.06331%0.31CS..Hα-helixtrans-61-41.8178.984.40000111.9L292 E293 V294 N300 K301L292-S296 VanDerWaalsContact O-CB 3.32Å; L292-S296 WeakPolarHBondContact O-CB 3.38Å; L292-S296 PolarHBondContact O-N 2.8Å; E293-S296 WeakPolarHBondContact CA-OG 3.48Å; E293-S296 WeakPolarHBondContact O-CB 3.47Å; E293-S296 PolarHBondContact O-N 2.91Å; E293-S296 PolarHBondContact O-OG 2.82Å; V294-S296 VanDerWaalsContact C-N 3.29Å; V294-S296 PolarHBondContact O-N 2.82Å; S296-N300 WeakPolarHBondContact O-CA 3.4Å; S296-N300 PolarHBondContact O-N 3.19Å; S296-K301 CarbonylContact C-O 3.34Å; S296-K301 WeakPolarHBondContact CA-O 3.45Å; S296-K301 WeakPolarHBondContact CB-O 3.5Å; S296-K301 PolarHBondContact O-N 3.39Å; S296-K301 VanDerWaalsContact O-O 3.09Å
297L83.1Confident83.7Confident75 Ų7560.8 Ų60.839%0.39332%0.317SS..Hα-helixtrans-71.1-38.5178.5-70.3170.6000112.1V125 V127 E293 V294 L295 N300V125-L297 HydrophobicContact CG1-CB 3.49Å; V125-L297 VanDerWaalsContact CG1-CB 3.49Å; V125-L297 HydrophobicContact CG1-CD1 3.84Å; V125-L297 HydrophobicContact CG1-CG 4.33Å; V127-L297 HydrophobicContact CG2-CD1 3.79Å; E293-L297 HydrophobicContact CG-CD1 4.46Å; E293-L297 WeakPolarHBondContact O-CG 3.39Å; E293-L297 PolarHBondContact O-N 2.83Å; V294-L297 PolarHBondContact O-N 2.81Å; L295-L297 VanDerWaalsContact C-N 3.32Å; L295-L297 PolarHBondContact O-N 3Å; L297-N300 PolarHBondContact O-OD1 2.91Å
298F79Confident83.7Confident3 Ų364.8 Ų64.81%0.01333%0.325CS..Hα-helixtrans-65.6-41.2175.6-89.8-71.5000112.8V125 V294 L295 N300 A329 R332V125-F298 HydrophobicContact CB-CD2 3.9Å; V125-F298 HydrophobicContact CB-CE1 4.15Å; V125-F298 HydrophobicContact CB-CE2 3.48Å; V125-F298 VanDerWaalsContact CB-CE2 3.48Å; V125-F298 HydrophobicContact CB-CG 4.4Å; V125-F298 HydrophobicContact CB-CZ 3.62Å; V125-F298 HydrophobicContact CG1-CD2 3.99Å; V125-F298 HydrophobicContact CG1-CE2 3.93Å; V125-F298 HydrophobicContact CG2-CD1 3.65Å; V125-F298 HydrophobicContact CG2-CD2 3.8Å; V125-F298 HydrophobicContact CG2-CE1 3.53Å; V125-F298 HydrophobicContact CG2-CE2 3.69Å; V125-F298 HydrophobicContact CG2-CG 3.78Å; V125-F298 HydrophobicContact CG2-CZ 3.56Å; V294-F298 HydrophobicContact CG1-CD2 3.75Å; V294-F298 HydrophobicContact CG1-CE2 3.71Å; V294-F298 WeakPolarHBondContact O-CD2 3.16Å; V294-F298 PolarHBondContact O-N 2.79Å; L295-F298 PolarHBondContact O-N 3.33Å; F298-N300 VanDerWaalsContact C-N 3.32Å; F298-A329 HydrophobicContact CD1-CB 4.47Å; F298-A329 HydrophobicContact CE1-CB 4.2Å; F298-R332 WeakPolarHBondContact O-CB 3.39Å; F298-R332 VanDerWaalsContact O-CG 3.26Å; F298-R332 WeakPolarHBondContact O-CG 3.46Å
299V84Confident83.8Confident19 Ų1964.2 Ų64.212%0.11532%0.323CS..THydrogen-bonded Turntrans-91.12-176.1-162.90000111.7L295 K301 L331 W338L295-V299 VanDerWaalsContact O-CG2 3.24Å; L295-V299 WeakPolarHBondContact O-CG2 3.19Å; L295-V299 PolarHBondContact O-N 3.12Å; V299-K301 VanDerWaalsContact C-N 3.29Å; V299-K301 HydrophobicContact CG1-CD 4.47Å; V299-K301 PolarHBondContact O-N 2.93Å; V299-L331 HydrophobicContact CG2-CB 3.91Å; V299-W338 HydrophobicContact CG1-CZ2 4.31Å; V299-W338 HydrophobicContact CG2-CH2 4.26Å; V299-W338 HydrophobicContact CG2-CZ2 3.99Å
300N82.3Confident83.8Confident143 Ų14356.9 Ų56.977%0.76529%0.289SS*.THydrogen-bonded Turntrans5143.2-177-71.9-37000113.5S296 L297 F298S296-N300 WeakPolarHBondContact O-CA 3.4Å; S296-N300 PolarHBondContact O-N 3.19Å; L297-N300 PolarHBondContact O-OD1 2.91Å; F298-N300 VanDerWaalsContact C-N 3.32Å
301K84.3Confident83.8Confident91 Ų9156.3 Ų56.340%0.39629%0.288SS..  trans-123.2156.8176.2-72.4-173177.1-174.60110.6S296 V299 E305 L306S296-K301 CarbonylContact C-O 3.34Å; S296-K301 WeakPolarHBondContact CA-O 3.45Å; S296-K301 WeakPolarHBondContact CB-O 3.5Å; S296-K301 PolarHBondContact O-N 3.39Å; S296-K301 VanDerWaalsContact O-O 3.09Å; V299-K301 VanDerWaalsContact C-N 3.29Å; V299-K301 HydrophobicContact CG1-CD 4.47Å; V299-K301 PolarHBondContact O-N 2.93Å; K301-E305 HydrophobicContact CB-CB 4.4Å; K301-L306 HydrophobicContact CB-CD2 4.42Å
302K83.4Confident83.9Confident143 Ų14358.7 Ų58.762%0.62230%0.304SS*.  trans-72.9152.5170.1-67178.6-179.1174.20110T304 E305K302-T304 PolarHBondContact O-N 2.9Å; K302-T304 VanDerWaalsContact O-N 3.12Å; K302-E305 HydrophobicContact CB-CG 4.27Å; K302-E305 PolarHBondContact N-OE2 2.81Å; K302-E305 WeakPolarHBondContact O-CB 3.3Å; K302-E305 PolarHBondContact O-N 2.83Å
303V81.5Confident83.7Confident68 Ų6858 Ų5841%0.41230%0.3SS..G310 helixtrans-55.3-33.3179178.50000112.2L292 E305 L306L292-V303 HydrophobicContact CB-CG1 4.12Å; L292-V303 HydrophobicContact CD1-CG1 4.38Å; V303-E305 PolarHBondContact O-N 2.93Å; V303-L306 PolarHBondContact O-N 2.86Å
304T83.6Confident83.7Confident128 Ų12855.2 Ų55.279%0.78529%0.288SS*.G310 helixtrans-70.5-15.417752.60000114.5K302K302-T304 PolarHBondContact O-N 2.9Å; K302-T304 VanDerWaalsContact O-N 3.12Å
305E84.7Confident83.7Confident108 Ų10863 Ų6351%0.50532%0.316SS..G310 helixtrans-103.73.4-176.9-62.9167-175.200112.1K301 K302 V303K301-E305 HydrophobicContact CB-CB 4.4Å; K302-E305 HydrophobicContact CB-CG 4.27Å; K302-E305 PolarHBondContact N-OE2 2.81Å; K302-E305 WeakPolarHBondContact O-CB 3.3Å; K302-E305 PolarHBondContact O-N 2.83Å; V303-E305 PolarHBondContact O-N 2.93Å
306L85.6Confident83.5Confident26 Ų2666.2 Ų66.214%0.13633%0.331CS..SBendtrans-76.6143.2176.9-68.8177.4000110.9L292 K301 V303 A310 W338L292-L306 HydrophobicContact CB-CD1 4.37Å; L292-L306 HydrophobicContact CD2-CD1 4.27Å; K301-L306 HydrophobicContact CB-CD2 4.42Å; V303-L306 PolarHBondContact O-N 2.86Å; L306-A310 HydrophobicContact CB-CB 3.99Å; L306-A310 HydrophobicContact CD1-CB 4.38Å; L306-W338 HydrophobicContact CD2-CH2 3.98Å; L306-W338 HydrophobicContact CD2-CZ2 4.32Å
307P87.1Confident82.9Confident37 Ų3765.9 Ų65.924%0.2433%0.329CS..  trans-70.9157.2177.531.2-35.1000111.4Q309 A310 W338P307-Q309 PolarHBondContact O-N 2.89Å; P307-Q309 VanDerWaalsContact O-N 3.11Å; P307-A310 WeakPolarHBondContact O-CB 3.28Å; P307-A310 PolarHBondContact O-N 3.44Å; P307-W338 HydrophobicContact CG-CB 4.46Å; P307-W338 HydrophobicContact CG-CD2 3.4Å; P307-W338 VanDerWaalsContact CG-CD2 3.4Å; P307-W338 HydrophobicContact CG-CE3 3.72Å; P307-W338 HydrophobicContact CG-CG 3.74Å; P307-W338 HydrophobicContact CG-CH2 4.31Å; P307-W338 HydrophobicContact CG-CZ2 4.03Å; P307-W338 HydrophobicContact CG-CZ3 4.18Å
308E83.7Confident82.3Confident145 Ų14568.5 Ų68.568%0.67834%0.338SS*.Hα-helixtrans-57.1-30.4-180-70.8-65.2170.300113.1A310 N311E308-A310 PolarHBondContact O-N 3.25Å; E308-N311 WeakPolarHBondContact O-CB 3.15Å; E308-N311 PolarHBondContact O-N 3.05Å; E308-N311 VanDerWaalsContact O-N 3.12Å; E308-N311 PolarHBondContact OE2-ND2 3.34Å
309Q84.7Confident81.9Confident55 Ų5568.7 Ų68.726%0.25734%0.34SS..Hα-helixtrans-57.2-28.2172.9-68.585.5-800112.9P307 N311 C312 I313 W338 E339 L342P307-Q309 PolarHBondContact O-N 2.89Å; P307-Q309 VanDerWaalsContact O-N 3.11Å; Q309-N311 VanDerWaalsContact C-N 3.31Å; Q309-N311 PolarHBondContact O-N 2.79Å; Q309-C312 PolarHBondContact O-N 2.81Å; Q309-I313 VanDerWaalsContact O-CG1 3.31Å; Q309-I313 WeakPolarHBondContact O-CG1 3.33Å; Q309-I313 PolarHBondContact O-N 2.83Å; Q309-W338 HydrophobicContact CB-CB 3.95Å; Q309-W338 HydrophobicContact CG-CB 4.34Å; Q309-E339 VanDerWaalsContact CG-OE2 3.28Å; Q309-E339 WeakPolarHBondContact CG-OE2 3.14Å; Q309-E339 PolarHBondContact NE2-OE2 2.94Å; Q309-L342 HydrophobicContact CB-CD2 4.28Å; Q309-L342 HydrophobicContact CG-CD2 4.13Å
310A83.6Confident81.7Confident1 Ų168.9 Ų68.91%0.00834%0.342CS..Hα-helixtrans-61.5-39.3177.200000111.9L292 L295 L306 P307 E308 C312 I313 V314 W338L292-A310 HydrophobicContact CD2-CB 4.03Å; L295-A310 HydrophobicContact CD1-CB 4.43Å; L306-A310 HydrophobicContact CB-CB 3.99Å; L306-A310 HydrophobicContact CD1-CB 4.38Å; P307-A310 WeakPolarHBondContact O-CB 3.28Å; P307-A310 PolarHBondContact O-N 3.44Å; E308-A310 PolarHBondContact O-N 3.25Å; A310-C312 VanDerWaalsContact C-N 3.35Å; A310-I313 PolarHBondContact O-N 2.95Å; A310-V314 WeakPolarHBondContact O-CG2 3.4Å; A310-V314 PolarHBondContact O-N 2.9Å; A310-V314 VanDerWaalsContact O-N 3.08Å; A310-W338 HydrophobicContact CB-CE3 4.13Å; A310-W338 HydrophobicContact CB-CH2 4.08Å; A310-W338 HydrophobicContact CB-CZ3 3.45Å; A310-W338 VanDerWaalsContact CB-CZ3 3.45Å
311N85.1Confident81.5Confident48 Ų4863.2 Ų63.226%0.25731%0.313SS..Hα-helixtrans-63.4-42.2174.8-77.4-49.8000111.5H288 L292 E308 Q309 R315H288-N311 PolarHBondContact CE1-O 3.21Å; H288-N311 PolarHBondContact NE2-OD1 2.86Å; L292-N311 WeakPolarHBondContact CD1-OD1 3.04Å; E308-N311 WeakPolarHBondContact O-CB 3.15Å; E308-N311 PolarHBondContact O-N 3.05Å; E308-N311 VanDerWaalsContact O-N 3.12Å; E308-N311 PolarHBondContact OE2-ND2 3.34Å; Q309-N311 VanDerWaalsContact C-N 3.31Å; Q309-N311 PolarHBondContact O-N 2.79Å; N311-R315 WeakPolarHBondContact O-CG 3.38Å; N311-R315 PolarHBondContact O-N 3.32Å
312C83.5Confident81.2Confident49 Ų4959.7 Ų59.733%0.33130%0.299SS..Hα-helixtrans-67.5-43178.5-63.30000111.5Q309 A310 V314 R315 E316 L342Q309-C312 PolarHBondContact O-N 2.81Å; A310-C312 VanDerWaalsContact C-N 3.35Å; C312-V314 PolarHBondContact O-N 3.39Å; C312-R315 WeakPolarHBondContact O-CB 3.37Å; C312-R315 PolarHBondContact O-N 3.17Å; C312-E316 WeakPolarHBondContact O-CG 3.49Å; C312-E316 PolarHBondContact O-N 3.21Å; C312-L342 HydrophobicContact CB-CD1 3.63Å; C312-L342 HydrophobicContact CB-CD2 3.65Å; C312-L342 HydrophobicContact CB-CG 4.32Å
313I82.7Confident80.9Confident1 Ų153.1 Ų53.11%0.00527%0.27CS..Hα-helixtrans-59.7-48.5177.5-71172.7000110.9Q309 A310 R315 E316 C317 I327 L331 W338 L342 L345Q309-I313 VanDerWaalsContact O-CG1 3.31Å; Q309-I313 WeakPolarHBondContact O-CG1 3.33Å; Q309-I313 PolarHBondContact O-N 2.83Å; A310-I313 PolarHBondContact O-N 2.95Å; I313-R315 PolarHBondContact O-N 2.85Å; I313-E316 PolarHBondContact O-N 3.28Å; I313-C317 WeakPolarHBondContact O-CB 3.47Å; I313-C317 PolarHBondContact O-N 3.24Å; I313-C317 PolarHBondContact O-SG 3.13Å; I313-I327 HydrophobicContact CG2-CG2 3.8Å; I313-L331 HydrophobicContact CD1-CD1 4.41Å; I313-W338 HydrophobicContact CD1-CE3 3.8Å; I313-W338 HydrophobicContact CD1-CZ3 4.3Å; I313-L342 HydrophobicContact CD1-CB 4.47Å; I313-L342 HydrophobicContact CG1-CB 4.02Å; I313-L342 HydrophobicContact CG1-CD1 3.98Å; I313-L345 HydrophobicContact CG2-CD1 4.29Å
314V83.5Confident80.9Confident3 Ų350 Ų502%0.01825%0.251CS..Hα-helixtrans-60.5-35.5179.4173.90000111.8L292 L295 A310 C312 K318 G319 I324L292-V314 HydrophobicContact CD2-CG2 3.97Å; L292-V314 HydrophobicContact CG-CG2 4.34Å; L295-V314 HydrophobicContact CD1-CG2 3.59Å; L295-V314 HydrophobicContact CG-CG2 4.45Å; A310-V314 WeakPolarHBondContact O-CG2 3.4Å; A310-V314 PolarHBondContact O-N 2.9Å; A310-V314 VanDerWaalsContact O-N 3.08Å; C312-V314 PolarHBondContact O-N 3.39Å; V314-K318 PolarHBondContact O-N 2.81Å; V314-G319 PolarHBondContact O-N 2.9Å; V314-I324 HydrophobicContact CG1-CD1 4.33Å
315R82.9Confident80.8Confident170 Ų17044.9 Ų44.964%0.64222%0.221SC*.Hα-helixtrans-67.8-45.7175.2-72.5175.6-176.1175.83.3112.3N311 C312 I313 C317 K318N311-R315 WeakPolarHBondContact O-CG 3.38Å; N311-R315 PolarHBondContact O-N 3.32Å; C312-R315 WeakPolarHBondContact O-CB 3.37Å; C312-R315 PolarHBondContact O-N 3.17Å; I313-R315 PolarHBondContact O-N 2.85Å; R315-C317 VanDerWaalsContact C-N 3.3Å; R315-C317 PolarHBondContact O-N 3.49Å; R315-K318 PolarHBondContact O-N 3.47Å
316E79Confident80.5Confident68 Ų6839.8 Ų39.832%0.31820%0.197SC..Hα-helixtrans-64.9-34.8176.9-66-63.116600111.7C312 I313 K318 L342 Q346C312-E316 WeakPolarHBondContact O-CG 3.49Å; C312-E316 PolarHBondContact O-N 3.21Å; I313-E316 PolarHBondContact O-N 3.28Å; E316-K318 PolarHBondContact O-N 3.29Å; E316-L342 HydrophobicContact CG-CD1 4.03Å; E316-Q346 HydrophobicContact CG-CG 4.15Å; E316-Q346 PolarHBondContact OE1-NE2 3.01Å; E316-Q346 VanDerWaalsContact OE1-NE2 3.11Å
317C72.8Confident80.3Confident3 Ų338.5 Ų38.52%0.0219%0.19CC..THydrogen-bonded Turntrans-73.3-3.9173.4-61.80000113.7I313 R315 G319 S320 V323 I324I313-C317 WeakPolarHBondContact O-CB 3.47Å; I313-C317 PolarHBondContact O-N 3.24Å; I313-C317 PolarHBondContact O-SG 3.13Å; R315-C317 VanDerWaalsContact C-N 3.3Å; R315-C317 PolarHBondContact O-N 3.49Å; C317-G319 PolarHBondContact O-N 3.3Å; C317-S320 PolarHBondContact O-N 2.8Å; C317-V323 HydrophobicContact CB-CB 4.33Å; C317-V323 HydrophobicContact CB-CG1 3.98Å; C317-I324 HydrophobicContact CB-CG1 3.8Å
318K70.4Confident80Confident130 Ų13036.8 Ų36.857%0.56518%0.179SC*.THydrogen-bonded Turntrans49.630.9-179.3-59.8-177.7179.5-176.20113.8V314 R315 E316 S320 D360V314-K318 PolarHBondContact O-N 2.81Å; R315-K318 PolarHBondContact O-N 3.47Å; E316-K318 PolarHBondContact O-N 3.29Å; K318-S320 VanDerWaalsContact C-N 3.3Å; K318-S320 PolarHBondContact O-N 2.78Å; K318-D360 IonicContact NZ-OD2 2.86Å; K318-D360 PolarHBondContact NZ-OD2 2.9Å
319G72.6Confident79.7Confident6 Ų630 Ų306%0.06215%0.148CC..THydrogen-bonded Turntrans74.54.4-179.700000115.9G285 L286 V314 C317 P321G285-G319 CarbonylContact C-O 3.5Å; G285-G319 WeakPolarHBondContact CA-O 3.15Å; L286-G319 PolarHBondContact N-O 2.94Å; V314-G319 PolarHBondContact O-N 2.9Å; C317-G319 PolarHBondContact O-N 3.3Å; G319-P321 VanDerWaalsContact O-CD 3.28Å; G319-P321 WeakPolarHBondContact O-CD 3.18Å
320S78.4Confident79.4Confident23 Ų2327.7 Ų27.716%0.16114%0.137CC..  trans-62.9119-179.1176.70000111.7C317 K318 L322 V323 I324C317-S320 PolarHBondContact O-N 2.8Å; K318-S320 VanDerWaalsContact C-N 3.3Å; K318-S320 PolarHBondContact O-N 2.78Å; S320-L322 PolarHBondContact O-N 3.47Å; S320-V323 PolarHBondContact O-N 3.04Å; S320-I324 WeakPolarHBondContact O-CB 3.42Å; S320-I324 VanDerWaalsContact O-CG1 3.26Å; S320-I324 WeakPolarHBondContact O-CG1 3.44Å; S320-I324 PolarHBondContact O-N 3.3Å
321P79.4Confident79.3Confident24 Ų2427.7 Ų27.716%0.15614%0.137CC..Hα-helixtrans-55.9-38.2179.7-17.721.4000113.4G157 L286 G319 S325G157-P321 WeakPolarHBondContact O-CD 3.33Å; L286-P321 HydrophobicContact CD1-CB 4.04Å; L286-P321 HydrophobicContact CD1-CG 4.05Å; L286-P321 HydrophobicContact CD2-CG 4.24Å; L286-P321 HydrophobicContact CG-CB 4.4Å; L286-P321 HydrophobicContact CG-CG 3.85Å; G319-P321 VanDerWaalsContact O-CD 3.28Å; G319-P321 WeakPolarHBondContact O-CD 3.18Å; P321-S325 WeakPolarHBondContact O-CB 3.5Å; P321-S325 PolarHBondContact O-N 2.89Å; P321-S325 PolarHBondContact O-OG 3.47Å
322L77.7Confident79Confident18 Ų1829 Ų299%0.09414%0.138CC..Hα-helixtrans-66.7-48.3-178.6-176.863.5000111.5S320 S325 L326 L364 F425S320-L322 PolarHBondContact O-N 3.47Å; L322-S325 PolarHBondContact O-N 2.72Å; L322-L326 WeakPolarHBondContact O-CG 3.37Å; L322-L326 PolarHBondContact O-N 3.05Å; L322-L364 HydrophobicContact CD2-CD1 3.97Å; L322-L364 HydrophobicContact CD2-CD2 4.36Å; L322-L364 HydrophobicContact CG-CD1 4.16Å; L322-F425 HydrophobicContact CD1-CZ 4.11Å
323V76.8Confident78.6Confident5 Ų529.4 Ų29.43%0.0314%0.137CC..Hα-helixtrans-65.8-42.8-179.6-174.80000110.8C317 S320 S325 L326 I327 L364 A367C317-V323 HydrophobicContact CB-CB 4.33Å; C317-V323 HydrophobicContact CB-CG1 3.98Å; S320-V323 PolarHBondContact O-N 3.04Å; V323-S325 VanDerWaalsContact C-N 3.29Å; V323-S325 PolarHBondContact O-N 3.11Å; V323-L326 PolarHBondContact O-N 3.4Å; V323-I327 WeakPolarHBondContact O-CG1 3.46Å; V323-I327 PolarHBondContact O-N 3.12Å; V323-L364 HydrophobicContact CG2-CB 3.85Å; V323-L364 HydrophobicContact CG2-CD1 3.76Å; V323-L364 HydrophobicContact CG2-CG 4.39Å; V323-A367 HydrophobicContact CG1-CB 3.82Å
324I81.3Confident78.4Confident2 Ų232.2 Ų32.21%0.0115%0.149CC..Hα-helixtrans-63.7-37.5177.8-65169.7000110.7V294 L295 V314 C317 S320 G328V294-I324 HydrophobicContact CB-CG2 3.92Å; V294-I324 HydrophobicContact CG1-CG2 3.75Å; L295-I324 HydrophobicContact CD2-CG2 3.94Å; L295-I324 HydrophobicContact CG-CG2 3.92Å; V314-I324 HydrophobicContact CG1-CD1 4.33Å; C317-I324 HydrophobicContact CB-CG1 3.8Å; S320-I324 WeakPolarHBondContact O-CB 3.42Å; S320-I324 VanDerWaalsContact O-CG1 3.26Å; S320-I324 WeakPolarHBondContact O-CG1 3.44Å; S320-I324 PolarHBondContact O-N 3.3Å; I324-G328 PolarHBondContact O-N 3.15Å
325S81Confident78.2Confident21 Ų2135.5 Ų35.515%0.14717%0.171CC..Hα-helixtrans-68-39.7177.7-58.60000112.5P321 L322 V323 G328 A329P321-S325 WeakPolarHBondContact O-CB 3.5Å; P321-S325 PolarHBondContact O-N 2.89Å; P321-S325 PolarHBondContact O-OG 3.47Å; L322-S325 PolarHBondContact O-N 2.72Å; V323-S325 VanDerWaalsContact C-N 3.29Å; V323-S325 PolarHBondContact O-N 3.11Å; S325-G328 PolarHBondContact O-N 3.4Å; S325-A329 WeakPolarHBondContact O-CB 3.22Å; S325-A329 PolarHBondContact O-N 3.03Å
326L78.8Confident77.9Confident0 Ų032.7 Ų32.70%018%0.178CC..Hα-helixtrans-62.3-49.7175-71.5166.4000111.8L322 V323 G328 A329 L330 L364 A367 M368 L423L322-L326 WeakPolarHBondContact O-CG 3.37Å; L322-L326 PolarHBondContact O-N 3.05Å; V323-L326 PolarHBondContact O-N 3.4Å; L326-G328 VanDerWaalsContact C-N 3.34Å; L326-G328 PolarHBondContact O-N 3.1Å; L326-A329 PolarHBondContact O-N 3.12Å; L326-L330 PolarHBondContact O-N 2.83Å; L326-L330 VanDerWaalsContact O-N 3.09Å; L326-L364 HydrophobicContact CD1-CD1 3.77Å; L326-A367 HydrophobicContact CB-CB 4.37Å; L326-A367 HydrophobicContact CD1-CB 4.4Å; L326-M368 HydrophobicContact CD1-CG 3.98Å; L326-M368 HydrophobicContact CD1-SD 3.49Å; L326-M368 WeakPolarHBondContact CD1-SD 3.43Å; L326-M368 HydrophobicContact CD2-SD 3.89Å; L326-M368 HydrophobicContact CG-SD 4.36Å; L326-L423 HydrophobicContact CD2-CD2 3.83Å; L326-L423 HydrophobicContact CD2-CG 4.49Å
327I81.3Confident78.2Confident0 Ų033.8 Ų33.80%018%0.179CC..Hα-helixtrans-66.3-37.9177.6-61.7-63.3000111.2I313 V323 L330 L331 L345 A367I313-I327 HydrophobicContact CG2-CG2 3.8Å; V323-I327 WeakPolarHBondContact O-CG1 3.46Å; V323-I327 PolarHBondContact O-N 3.12Å; I327-L330 HydrophobicContact CD1-CD1 4.18Å; I327-L330 WeakPolarHBondContact O-CB 3.41Å; I327-L330 PolarHBondContact O-N 3.37Å; I327-L331 HydrophobicContact CG2-CD1 3.76Å; I327-L331 HydrophobicContact CG2-CG 4.3Å; I327-L331 WeakPolarHBondContact O-CB 3.13Å; I327-L331 VanDerWaalsContact O-CG 3.3Å; I327-L331 WeakPolarHBondContact O-CG 3.35Å; I327-L331 PolarHBondContact O-N 2.89Å; I327-L345 HydrophobicContact CD1-CD1 4.05Å; I327-L345 HydrophobicContact CG1-CD1 4.23Å; I327-A367 HydrophobicContact CD1-CB 3.8Å; I327-A367 HydrophobicContact CG1-CB 4.05Å
328G81Confident78.7Confident0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-59.7-44.617400000112.4I324 S325 L326 L330 L331 R332I324-G328 PolarHBondContact O-N 3.15Å; S325-G328 PolarHBondContact O-N 3.4Å; L326-G328 VanDerWaalsContact C-N 3.34Å; L326-G328 PolarHBondContact O-N 3.1Å; G328-L330 PolarHBondContact O-N 3.05Å; G328-L331 PolarHBondContact O-N 2.96Å; G328-R332 PolarHBondContact O-N 3.06Å
329A77.6Confident79.4Confident2 Ų232.2 Ų32.22%0.01717%0.172CC..Hα-helixtrans-61.9-41.1175.100000112.2F298 S325 L326 L331 R332 D333F298-A329 HydrophobicContact CD1-CB 4.47Å; F298-A329 HydrophobicContact CE1-CB 4.2Å; S325-A329 WeakPolarHBondContact O-CB 3.22Å; S325-A329 PolarHBondContact O-N 3.03Å; L326-A329 PolarHBondContact O-N 3.12Å; A329-L331 PolarHBondContact O-N 3.37Å; A329-R332 WeakPolarHBondContact O-CB 3.04Å; A329-R332 PolarHBondContact O-N 2.84Å; A329-D333 PolarHBondContact O-N 3.11Å
330L78.4Confident79.8Confident8 Ų837 Ų374%0.04219%0.19CC..Hα-helixtrans-63.5-40.5174.9-74.2169.5000112.9L326 I327 G328 R332 D333 F334 Y341 I370 S371 Q374L326-L330 PolarHBondContact O-N 2.83Å; L326-L330 VanDerWaalsContact O-N 3.09Å; I327-L330 HydrophobicContact CD1-CD1 4.18Å; I327-L330 WeakPolarHBondContact O-CB 3.41Å; I327-L330 PolarHBondContact O-N 3.37Å; G328-L330 PolarHBondContact O-N 3.05Å; L330-R332 VanDerWaalsContact C-N 3.34Å; L330-D333 PolarHBondContact O-N 2.78Å; L330-F334 PolarHBondContact O-N 3.43Å; L330-Y341 HydrophobicContact CB-CE2 4.11Å; L330-Y341 HydrophobicContact CD1-CE1 4.49Å; L330-I370 HydrophobicContact CD1-CB 4.11Å; L330-I370 HydrophobicContact CD1-CG2 3.5Å; L330-I370 VanDerWaalsContact CD1-CG2 3.5Å; L330-S371 VanDerWaalsContact CD1-OG 3.27Å; L330-S371 WeakPolarHBondContact CD1-OG 3.4Å; L330-Q374 HydrophobicContact CD2-CB 3.98Å; L330-Q374 HydrophobicContact CD2-CG 4Å
331L80.1Confident79.8Confident0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-73.6-25.7179.5-71.8168.3000112.8L295 V299 I313 I327 G328 A329 D333 F334 P335 W338 Y341L295-L331 HydrophobicContact CD2-CD1 4.38Å; V299-L331 HydrophobicContact CG2-CB 3.91Å; I313-L331 HydrophobicContact CD1-CD1 4.41Å; I327-L331 HydrophobicContact CG2-CD1 3.76Å; I327-L331 HydrophobicContact CG2-CG 4.3Å; I327-L331 WeakPolarHBondContact O-CB 3.13Å; I327-L331 VanDerWaalsContact O-CG 3.3Å; I327-L331 WeakPolarHBondContact O-CG 3.35Å; I327-L331 PolarHBondContact O-N 2.89Å; G328-L331 PolarHBondContact O-N 2.96Å; A329-L331 PolarHBondContact O-N 3.37Å; L331-D333 VanDerWaalsContact C-N 3.34Å; L331-F334 CarbonylContact O-C 3.58Å; L331-P335 VanDerWaalsContact O-CA 3.29Å; L331-P335 WeakPolarHBondContact O-CA 3.17Å; L331-W338 HydrophobicContact CB-CZ2 4.47Å; L331-W338 HydrophobicContact CD1-CD2 4.07Å; L331-W338 HydrophobicContact CD1-CE3 3.72Å; L331-W338 HydrophobicContact CD1-CH2 3.64Å; L331-W338 HydrophobicContact CD1-CZ2 4Å; L331-W338 HydrophobicContact CD1-CZ3 3.48Å; L331-W338 VanDerWaalsContact CD1-CZ3 3.48Å; L331-W338 HydrophobicContact CD2-CD2 3.73Å; L331-W338 HydrophobicContact CD2-CE3 4.17Å; L331-W338 HydrophobicContact CD2-CG 3.94Å; L331-W338 HydrophobicContact CD2-CZ2 4.37Å; L331-Y341 HydrophobicContact CD2-CD2 3.73Å; L331-Y341 HydrophobicContact CD2-CE2 4.1Å; L331-Y341 HydrophobicContact CG-CD2 4.25Å
332R80.6Confident79.9Confident75 Ų7535.4 Ų35.428%0.28318%0.178SC..Hα-helixtrans-62.5-44.2169-177-17667.7-159.4-6.3110.8F298 G328 A329 L330 N420F298-R332 WeakPolarHBondContact O-CB 3.39Å; F298-R332 VanDerWaalsContact O-CG 3.26Å; F298-R332 WeakPolarHBondContact O-CG 3.46Å; G328-R332 PolarHBondContact O-N 3.06Å; A329-R332 WeakPolarHBondContact O-CB 3.04Å; A329-R332 PolarHBondContact O-N 2.84Å; L330-R332 VanDerWaalsContact C-N 3.34Å; R332-N420 PolarHBondContact NH1-O 3.3Å; R332-N420 PolarHBondContact NH2-O 2.89Å
333D74.8Confident79.9Confident59 Ų5939.7 Ų39.732%0.31620%0.195SC..Hα-helixtrans-79.4-34.6-177.6-61.6-5.3000111.6A329 L330 L331 K421A329-D333 PolarHBondContact O-N 3.11Å; L330-D333 PolarHBondContact O-N 2.78Å; L331-D333 VanDerWaalsContact C-N 3.34Å; D333-K421 IonicContact OD2-NZ 2.78Å; D333-K421 PolarHBondContact OD2-NZ 3.44Å
334F78.7Confident79.7Confident59 Ų5940.2 Ų40.226%0.25920%0.198SC..  trans-126.379.7179-54.8-73.8000112.9L330 L331 S336 R337 Q374L330-F334 PolarHBondContact O-N 3.43Å; L331-F334 CarbonylContact O-C 3.58Å; F334-S336 PolarHBondContact O-N 2.92Å; F334-R337 HydrophobicContact CB-CB 4.43Å; F334-R337 HydrophobicContact CB-CG 4.18Å; F334-R337 PolarHBondContact O-N 3.21Å; F334-Q374 HydrophobicContact CE2-CB 3.94Å; F334-Q374 HydrophobicContact CE2-CG 4.16Å
335P78.6Confident79.3Confident72 Ų7240.4 Ų40.447%0.46820%0.199SC..THydrogen-bonded Turntrans-65.8-14.4-170.7-23.133.8000116.1L331 W338L331-P335 VanDerWaalsContact O-CA 3.29Å; L331-P335 WeakPolarHBondContact O-CA 3.17Å; P335-W338 PolarHBondContact O-NE1 3.22Å
336S77.5Confident79Confident112 Ų11243.7 Ų43.778%0.78321%0.212SC*.THydrogen-bonded Turntrans-97-5.7-175.357.50000114.6F334F334-S336 PolarHBondContact O-N 2.92Å
337R84.3Confident78.5Confident90 Ų9048.5 Ų48.534%0.3424%0.238SC..  trans-98.123.1-168.1-66.1-173.1-178.9170.60.1115.6F334 E339 Y340 Y341F334-R337 HydrophobicContact CB-CB 4.43Å; F334-R337 HydrophobicContact CB-CG 4.18Å; F334-R337 PolarHBondContact O-N 3.21Å; R337-E339 PolarHBondContact O-N 2.95Å; R337-Y340 WeakPolarHBondContact O-CB 3.46Å; R337-Y340 PolarHBondContact O-N 3.4Å; R337-Y341 HydrophobicContact CB-CD2 4.03Å; R337-Y341 HydrophobicContact CB-CE2 3.63Å; R337-Y341 VanDerWaalsContact O-CD2 3.32Å; R337-Y341 WeakPolarHBondContact O-CD2 3.32Å; R337-Y341 PolarHBondContact O-N 3.48Å; R337-Y341 VanDerWaalsContact O-N 3.11Å
338W83.9Confident77.8Confident15 Ų1553 Ų536%0.05726%0.257CS..Hα-helixtrans-53.6-50.7-178.8-68.886000114.1L295 V299 L306 P307 Q309 A310 I313 L331 P335 Y340 L342L295-W338 HydrophobicContact CD1-CZ3 4.36Å; V299-W338 HydrophobicContact CG1-CZ2 4.31Å; V299-W338 HydrophobicContact CG2-CH2 4.26Å; V299-W338 HydrophobicContact CG2-CZ2 3.99Å; L306-W338 HydrophobicContact CD2-CH2 3.98Å; L306-W338 HydrophobicContact CD2-CZ2 4.32Å; P307-W338 HydrophobicContact CG-CB 4.46Å; P307-W338 HydrophobicContact CG-CD2 3.4Å; P307-W338 VanDerWaalsContact CG-CD2 3.4Å; P307-W338 HydrophobicContact CG-CE3 3.72Å; P307-W338 HydrophobicContact CG-CG 3.74Å; P307-W338 HydrophobicContact CG-CH2 4.31Å; P307-W338 HydrophobicContact CG-CZ2 4.03Å; P307-W338 HydrophobicContact CG-CZ3 4.18Å; Q309-W338 HydrophobicContact CB-CB 3.95Å; Q309-W338 HydrophobicContact CG-CB 4.34Å; A310-W338 HydrophobicContact CB-CE3 4.13Å; A310-W338 HydrophobicContact CB-CH2 4.08Å; A310-W338 HydrophobicContact CB-CZ3 3.45Å; A310-W338 VanDerWaalsContact CB-CZ3 3.45Å; I313-W338 HydrophobicContact CD1-CE3 3.8Å; I313-W338 HydrophobicContact CD1-CZ3 4.3Å; L331-W338 HydrophobicContact CB-CZ2 4.47Å; L331-W338 HydrophobicContact CD1-CD2 4.07Å; L331-W338 HydrophobicContact CD1-CE3 3.72Å; L331-W338 HydrophobicContact CD1-CH2 3.64Å; L331-W338 HydrophobicContact CD1-CZ2 4Å; L331-W338 HydrophobicContact CD1-CZ3 3.48Å; L331-W338 VanDerWaalsContact CD1-CZ3 3.48Å; L331-W338 HydrophobicContact CD2-CD2 3.73Å; L331-W338 HydrophobicContact CD2-CE3 4.17Å; L331-W338 HydrophobicContact CD2-CG 3.94Å; L331-W338 HydrophobicContact CD2-CZ2 4.37Å; P335-W338 PolarHBondContact O-NE1 3.22Å; W338-Y340 VanDerWaalsContact C-N 3.29Å; W338-Y340 PolarHBondContact O-N 2.84Å; W338-L342 WeakPolarHBondContact O-CB 3.42Å; W338-L342 PolarHBondContact O-N 2.87Å; W338-L342 VanDerWaalsContact O-N 3.1Å
339E84.8Confident76.6Confident85 Ų8559.2 Ų59.240%0.39729%0.286SS..Hα-helixtrans-65.3-33.7-179-172.566.1-158.900112.4Q309 R337 K343Q309-E339 VanDerWaalsContact CG-OE2 3.28Å; Q309-E339 WeakPolarHBondContact CG-OE2 3.14Å; Q309-E339 PolarHBondContact NE2-OE2 2.94Å; R337-E339 PolarHBondContact O-N 2.95Å; E339-K343 WeakPolarHBondContact O-CG 3.42Å; E339-K343 PolarHBondContact O-N 2.8Å; E339-K343 VanDerWaalsContact OE1-CE 3.26Å; E339-K343 WeakPolarHBondContact OE1-CE 3.47Å; E339-K343 IonicContact OE1-NZ 2.65Å
340Y80Confident75.4Confident108 Ų10861.3 Ų61.342%0.42430%0.295SS..Hα-helixtrans-68.6-50.2179.6172.6-100000111.1R337 W338 L342 K343 Q344R337-Y340 WeakPolarHBondContact O-CB 3.46Å; R337-Y340 PolarHBondContact O-N 3.4Å; W338-Y340 VanDerWaalsContact C-N 3.29Å; W338-Y340 PolarHBondContact O-N 2.84Å; Y340-L342 VanDerWaalsContact C-N 3.33Å; Y340-L342 PolarHBondContact O-N 3.04Å; Y340-K343 PolarHBondContact O-N 3.44Å; Y340-Q344 PolarHBondContact O-N 2.99Å; Y340-Q344 PolarHBondContact OH-OE1 3.47Å; Y340-Q344 VanDerWaalsContact OH-OE1 3.08Å
341Y78.4Confident74.5Confident0 Ų069 Ų690%033%0.328CS..Hα-helixtrans-66.7-34.3179.1-63.3-44.8000112.9L330 L331 R337 Q344 L345 I370L330-Y341 HydrophobicContact CB-CE2 4.11Å; L330-Y341 HydrophobicContact CD1-CE1 4.49Å; L331-Y341 HydrophobicContact CD2-CD2 3.73Å; L331-Y341 HydrophobicContact CD2-CE2 4.1Å; L331-Y341 HydrophobicContact CG-CD2 4.25Å; R337-Y341 HydrophobicContact CB-CD2 4.03Å; R337-Y341 HydrophobicContact CB-CE2 3.63Å; R337-Y341 VanDerWaalsContact O-CD2 3.32Å; R337-Y341 WeakPolarHBondContact O-CD2 3.32Å; R337-Y341 PolarHBondContact O-N 3.48Å; R337-Y341 VanDerWaalsContact O-N 3.11Å; Y341-Q344 PolarHBondContact O-N 2.78Å; Y341-L345 WeakPolarHBondContact O-CB 3.35Å; Y341-L345 WeakPolarHBondContact O-CG 3.08Å; Y341-L345 PolarHBondContact O-N 3.01Å; Y341-I370 HydrophobicContact CD1-CD1 4.46Å; Y341-I370 HydrophobicContact CD1-CG2 3.41Å; Y341-I370 VanDerWaalsContact CD1-CG2 3.41Å; Y341-I370 HydrophobicContact CE1-CG2 3.21Å
342L81.5Confident73.3Confident12 Ų1271.9 Ų71.96%0.06334%0.339CS..Hα-helixtrans-60.8-47.5173.1178.160.3000111.8Q309 C312 I313 E316 W338 Y340 Q344 L345 Q346Q309-L342 HydrophobicContact CB-CD2 4.28Å; Q309-L342 HydrophobicContact CG-CD2 4.13Å; C312-L342 HydrophobicContact CB-CD1 3.63Å; C312-L342 HydrophobicContact CB-CD2 3.65Å; C312-L342 HydrophobicContact CB-CG 4.32Å; I313-L342 HydrophobicContact CD1-CB 4.47Å; I313-L342 HydrophobicContact CG1-CB 4.02Å; I313-L342 HydrophobicContact CG1-CD1 3.98Å; E316-L342 HydrophobicContact CG-CD1 4.03Å; W338-L342 WeakPolarHBondContact O-CB 3.42Å; W338-L342 PolarHBondContact O-N 2.87Å; W338-L342 VanDerWaalsContact O-N 3.1Å; Y340-L342 VanDerWaalsContact C-N 3.33Å; Y340-L342 PolarHBondContact O-N 3.04Å; L342-Q344 VanDerWaalsContact C-N 3.3Å; L342-Q344 PolarHBondContact O-N 2.6Å; L342-L345 PolarHBondContact O-N 3.04Å; L342-Q346 WeakPolarHBondContact O-CG 3.47Å; L342-Q346 PolarHBondContact O-N 3.19Å; L342-Q346 VanDerWaalsContact O-N 3.12Å
343K79.6Confident71.7Confident108 Ų10875 Ų7547%0.4736%0.36SS..Hα-helixtrans-63.4-36.2177.3-76.1178.2-178.3172.60112.4E339 Y340 Q346 N347E339-K343 WeakPolarHBondContact O-CG 3.42Å; E339-K343 PolarHBondContact O-N 2.8Å; E339-K343 VanDerWaalsContact OE1-CE 3.26Å; E339-K343 WeakPolarHBondContact OE1-CE 3.47Å; E339-K343 IonicContact OE1-NZ 2.65Å; Y340-K343 PolarHBondContact O-N 3.44Å; K343-Q346 PolarHBondContact O-N 3.03Å; K343-N347 WeakPolarHBondContact O-CB 2.97Å; K343-N347 PolarHBondContact O-N 3.26Å; K343-N347 PolarHBondContact O-ND2 2.86Å; K343-N347 VanDerWaalsContact O-ND2 3.14Å
344Q71.3Confident70.4Confident17 Ų1781.4 Ų81.48%0.07938%0.38CS..Hα-helixtrans-71.3-41.5-179.3-159.3151.6-16.300112.1Y340 Y341 L342 Q346 N347 I370Y340-Q344 PolarHBondContact O-N 2.99Å; Y340-Q344 PolarHBondContact OH-OE1 3.47Å; Y340-Q344 VanDerWaalsContact OH-OE1 3.08Å; Y341-Q344 PolarHBondContact O-N 2.78Å; L342-Q344 VanDerWaalsContact C-N 3.3Å; L342-Q344 PolarHBondContact O-N 2.6Å; Q344-Q346 PolarHBondContact O-N 3.27Å; Q344-N347 PolarHBondContact O-N 3.38Å; Q344-I370 HydrophobicContact CB-CD1 3.9Å; Q344-I370 HydrophobicContact CB-CG1 4.46Å; Q344-I370 HydrophobicContact CG-CD1 3.83Å; Q344-I370 HydrophobicContact CG-CG1 3.92Å
345L72.8Confident68.7Low5 Ų587.3 Ų87.33%0.02641%0.405CS..Hα-helixtrans-57.9-36.3170.1-80.3159000112.5I313 I327 Y341 L342 E366I313-L345 HydrophobicContact CG2-CD1 4.29Å; I327-L345 HydrophobicContact CD1-CD1 4.05Å; I327-L345 HydrophobicContact CG1-CD1 4.23Å; Y341-L345 WeakPolarHBondContact O-CB 3.35Å; Y341-L345 WeakPolarHBondContact O-CG 3.08Å; Y341-L345 PolarHBondContact O-N 3.01Å; L342-L345 PolarHBondContact O-N 3.04Å; L345-E366 HydrophobicContact CD2-CB 4.36Å
346Q76Confident66.5Low90 Ų9089 Ų8942%0.42142%0.419SS..Hα-helixtrans-76.3-31.7178.3-72.9178.7-21.900113.8E316 L342 K343 Q344 K348E316-Q346 HydrophobicContact CG-CG 4.15Å; E316-Q346 PolarHBondContact OE1-NE2 3.01Å; E316-Q346 VanDerWaalsContact OE1-NE2 3.11Å; L342-Q346 WeakPolarHBondContact O-CG 3.47Å; L342-Q346 PolarHBondContact O-N 3.19Å; L342-Q346 VanDerWaalsContact O-N 3.12Å; K343-Q346 PolarHBondContact O-N 3.03Å; Q344-Q346 PolarHBondContact O-N 3.27Å; Q346-K348 PolarHBondContact O-N 2.88Å
347N68.2Low64.6Low102 Ų10287 Ų8755%0.54540%0.404SS..Hα-helixtrans-77.2-16.7-173.4-75.3-22.3000114.4K343 Q344 Q349K343-N347 WeakPolarHBondContact O-CB 2.97Å; K343-N347 PolarHBondContact O-N 3.26Å; K343-N347 PolarHBondContact O-ND2 2.86Å; K343-N347 VanDerWaalsContact O-ND2 3.14Å; Q344-N347 PolarHBondContact O-N 3.38Å; N347-Q349 HydrophobicContact CB-CG 4.12Å; N347-Q349 PolarHBondContact O-N 2.79Å
348K65.2Low62.3Low93 Ų9388.3 Ų88.340%0.40443%0.428SS..  trans43.456.6172.8-60.1179.3174.7-165.30113.5Q346 E362 E366Q346-K348 PolarHBondContact O-N 2.88Å; K348-E362 VanDerWaalsContact CD-OE2 3.28Å; K348-E362 WeakPolarHBondContact CD-OE2 3.27Å; K348-E362 VanDerWaalsContact CE-OE2 3.27Å; K348-E362 WeakPolarHBondContact CE-OE2 3.38Å; K348-E362 IonicContact NZ-OE2 2.97Å; K348-E362 PolarHBondContact NZ-OE2 2.91Å; K348-E366 VanDerWaalsContact CA-OE1 3.29Å; K348-E366 WeakPolarHBondContact CA-OE1 3.23Å
349Q57.6Low60.6Low132 Ų13294 Ų9462%0.61745%0.45SS*.  trans-75.6-32.3-176-63-175.8-14.600112.9N347 K351 E366N347-Q349 HydrophobicContact CB-CG 4.12Å; N347-Q349 PolarHBondContact O-N 2.79Å; Q349-K351 PolarHBondContact O-N 2.95Å; Q349-E366 WeakPolarHBondContact CA-OE1 3.21Å; Q349-E366 PolarHBondContact N-OE1 3.08Å
350F51.7Low59Low46 Ų4694.7 Ų94.720%0.20246%0.456CS..  trans-79.9114.3177-165.2-92.6000110.4R352 D365 E366 F444F350-R352 HydrophobicContact CD1-CG 4.49Å; F350-R352 HydrophobicContact CE1-CG 4.04Å; F350-D365 HydrophobicContact CB-CB 4.49Å; F350-D365 HydrophobicContact CD1-CB 3.52Å; F350-D365 HydrophobicContact CE1-CB 4.02Å; F350-D365 HydrophobicContact CG-CB 4.22Å; F350-E366 PolarHBondContact N-OE1 2.9Å; F350-F444 HydrophobicContact CD1-CE2 4.47Å; F350-F444 HydrophobicContact CD2-CE2 4.25Å; F350-F444 HydrophobicContact CE1-CD2 4.09Å; F350-F444 HydrophobicContact CE1-CE2 4.14Å; F350-F444 AromaticContact CE2-CE2 3.93Å; F350-F444 HydrophobicContact CE2-CE2 3.93Å; F350-F444 HydrophobicContact CZ-CD2 4.02Å; F350-F444 AromaticContact CZ-CE2 3.86Å; F350-F444 HydrophobicContact CZ-CE2 3.86Å
351K58.3Low58.1Low170 Ų17092 Ų9274%0.73945%0.446SS*.  trans-118.2113.5175.9-69.2-177.2-179.2174.70109.3Q349Q349-K351 PolarHBondContact O-N 2.95Å
352R55.1Low57.5Low60 Ų6094.9 Ų94.923%0.22646%0.459CS..  trans-57.1138170.5-63.2-165.2-179-159-3.2110.6F350 R354 D365 E447F350-R352 HydrophobicContact CD1-CG 4.49Å; F350-R352 HydrophobicContact CE1-CG 4.04Å; R352-R354 VanDerWaalsContact C-N 3.29Å; R352-R354 PolarHBondContact O-N 3.29Å; R352-D365 IonicContact CZ-OD1 3.68Å; R352-D365 IonicContact CZ-OD2 2.78Å; R352-D365 IonicContact NE-OD1 3.08Å; R352-D365 IonicContact NE-OD2 3.43Å; R352-D365 PolarHBondContact NE-OD2 3.46Å; R352-D365 IonicContact NH2-OD1 3.83Å; R352-D365 PolarHBondContact NH2-OD1 3.36Å; R352-D365 IonicContact NH2-OD2 2.71Å; R352-D365 PolarHBondContact NH2-OD2 2.86Å; R352-E447 WeakPolarHBondContact CA-OE1 3.46Å; R352-E447 VanDerWaalsContact CB-OE1 3.27Å; R352-E447 WeakPolarHBondContact CB-OE1 3.48Å; R352-E447 WeakPolarHBondContact CD-OE2 3.33Å; R352-E447 WeakPolarHBondContact CG-OE2 3.29Å; R352-E447 IonicContact NE-OE2 3.71Å
353I48.4Very low56.7Low141 Ų14195.4 Ų95.472%0.72347%0.465SS*.SBendtrans-71.1-29.5-178.1-64.5171.4000110.4E447I353-E447 PolarHBondContact N-OE1 3.4Å
354R47.4Very low56.3Low193 Ų19390.8 Ų90.873%0.72845%0.446SS*.  trans-100.3102.2172.4-74.7-175.8175.8174-0.8110.7R352 S356R352-R354 VanDerWaalsContact C-N 3.29Å; R352-R354 PolarHBondContact O-N 3.29Å; R354-S356 PolarHBondContact O-N 2.82Å
355K41.9Very low56.4Low183 Ų18390.1 Ų90.180%0.79644%0.443SS*.  trans-96.769.2174.9-149.5175.1-165.6179.70110
356S33.3Very low56.3Low108 Ų10890 Ų9076%0.75544%0.442SS*.  trans-122.810.7-171.4580000115.5R354R354-S356 PolarHBondContact O-N 2.82Å
357S37.3Very low55.9Low69 Ų6985.8 Ų85.848%0.48342%0.422SS..SBendtrans-127147172.591.40000111.8Y359S357-Y359 PolarHBondContact O-N 2.73Å; S357-Y359 VanDerWaalsContact O-N 3.1Å
358S34.8Very low56.3Low118 Ų11880.9 Ų80.983%0.82540%0.396SS*.SBendtrans-7114.4176.444.40000114.6
359Y48.8Very low57Low134 Ų13477.1 Ų77.153%0.52538%0.382SS..  trans-105.7133.9-176.1-69.8-79000112.4S357 Y361S357-Y359 PolarHBondContact O-N 2.73Å; S357-Y359 VanDerWaalsContact O-N 3.1Å; Y359-Y361 VanDerWaalsContact CB-CE2 3.42Å; Y359-Y361 HydrophobicContact CG-CE2 4.24Å; Y359-Y361 PolarHBondContact O-N 3.35Å; Y359-Y361 VanDerWaalsContact O-N 3.08Å
360D50.9Low57.8Low99 Ų9970.9 Ų70.953%0.52935%0.353SS..  trans-83.973-179.1-67.9-22.2000111.8K318 E362K318-D360 IonicContact NZ-OD2 2.86Å; K318-D360 PolarHBondContact NZ-OD2 2.9Å; D360-E362 PolarHBondContact O-N 2.9Å
361Y61.7Low58.9Low51 Ų5169 Ų6920%0.235%0.345CS..THydrogen-bonded Turntrans-74.3-3.3173.7-66.5-68.4000114.1Y359 A363 L364 D365 L440Y359-Y361 VanDerWaalsContact CB-CE2 3.42Å; Y359-Y361 HydrophobicContact CG-CE2 4.24Å; Y359-Y361 PolarHBondContact O-N 3.35Å; Y359-Y361 VanDerWaalsContact O-N 3.08Å; Y361-A363 VanDerWaalsContact C-N 3.34Å; Y361-A363 PolarHBondContact O-N 2.74Å; Y361-L364 PolarHBondContact O-N 3.33Å; Y361-L364 VanDerWaalsContact O-N 3.08Å; Y361-D365 PolarHBondContact O-N 2.7Å; Y361-D365 VanDerWaalsContact O-N 3.1Å; Y361-L440 HydrophobicContact CD1-CD1 4.41Å; Y361-L440 HydrophobicContact CD1-CD2 3.91Å; Y361-L440 HydrophobicContact CE1-CD1 4.02Å; Y361-L440 HydrophobicContact CE1-CD2 3.34Å; Y361-L440 HydrophobicContact CE1-CG 4.32Å
362E66.1Low60Low61 Ų6161.5 Ų61.529%0.28531%0.313SS..Hα-helixtrans-57-41.9-172.4-60.7-178.6157.900112.9K348 D360 L364 E366K348-E362 VanDerWaalsContact CD-OE2 3.28Å; K348-E362 WeakPolarHBondContact CD-OE2 3.27Å; K348-E362 VanDerWaalsContact CE-OE2 3.27Å; K348-E362 WeakPolarHBondContact CE-OE2 3.38Å; K348-E362 IonicContact NZ-OE2 2.97Å; K348-E362 PolarHBondContact NZ-OE2 2.91Å; D360-E362 PolarHBondContact O-N 2.9Å; E362-L364 VanDerWaalsContact C-N 3.33Å; E362-L364 PolarHBondContact O-N 2.77Å; E362-E366 VanDerWaalsContact O-CG 3.28Å; E362-E366 WeakPolarHBondContact O-CG 3.37Å; E362-E366 PolarHBondContact O-N 3.16Å
363A64.1Low61.2Low23 Ų2362.9 Ų62.919%0.1932%0.322CS..Hα-helixtrans-70.1-28.7-179.500000113.4Y361 A367Y361-A363 VanDerWaalsContact C-N 3.34Å; Y361-A363 PolarHBondContact O-N 2.74Å; A363-A367 WeakPolarHBondContact O-CB 3.37Å; A363-A367 PolarHBondContact O-N 3.05Å
364L72.4Confident62.6Low11 Ų1158.3 Ų58.36%0.05830%0.298CS..Hα-helixtrans-77.8-45.6178.8177.365.8000111.2L322 V323 L326 Y361 E362 E366 A367 M368 L440L322-L364 HydrophobicContact CD2-CD1 3.97Å; L322-L364 HydrophobicContact CD2-CD2 4.36Å; L322-L364 HydrophobicContact CG-CD1 4.16Å; V323-L364 HydrophobicContact CG2-CB 3.85Å; V323-L364 HydrophobicContact CG2-CD1 3.76Å; V323-L364 HydrophobicContact CG2-CG 4.39Å; L326-L364 HydrophobicContact CD1-CD1 3.77Å; Y361-L364 PolarHBondContact O-N 3.33Å; Y361-L364 VanDerWaalsContact O-N 3.08Å; E362-L364 VanDerWaalsContact C-N 3.33Å; E362-L364 PolarHBondContact O-N 2.77Å; L364-E366 VanDerWaalsContact C-N 3.26Å; L364-E366 PolarHBondContact O-N 2.78Å; L364-A367 PolarHBondContact O-N 2.87Å; L364-M368 HydrophobicContact CD1-CG 4.2Å; L364-M368 HydrophobicContact CG-CG 4.41Å; L364-M368 WeakPolarHBondContact O-CB 3.49Å; L364-M368 WeakPolarHBondContact O-CG 2.97Å; L364-M368 PolarHBondContact O-N 2.94Å; L364-L440 HydrophobicContact CD2-CB 3.49Å; L364-L440 VanDerWaalsContact CD2-CB 3.49Å; L364-L440 HydrophobicContact CD2-CD1 3.58Å; L364-L440 HydrophobicContact CD2-CG 4.12Å
365D71.9Confident64Low3 Ų349.4 Ų49.42%0.01627%0.265CS..Hα-helixtrans-61.1-39179.3-68.4-19.4000111.2F350 R352 Y361 M368 S369 F444F350-D365 HydrophobicContact CB-CB 4.49Å; F350-D365 HydrophobicContact CD1-CB 3.52Å; F350-D365 HydrophobicContact CE1-CB 4.02Å; F350-D365 HydrophobicContact CG-CB 4.22Å; R352-D365 IonicContact CZ-OD1 3.68Å; R352-D365 IonicContact CZ-OD2 2.78Å; R352-D365 IonicContact NE-OD1 3.08Å; R352-D365 IonicContact NE-OD2 3.43Å; R352-D365 PolarHBondContact NE-OD2 3.46Å; R352-D365 IonicContact NH2-OD1 3.83Å; R352-D365 PolarHBondContact NH2-OD1 3.36Å; R352-D365 IonicContact NH2-OD2 2.71Å; R352-D365 PolarHBondContact NH2-OD2 2.86Å; Y361-D365 PolarHBondContact O-N 2.7Å; Y361-D365 VanDerWaalsContact O-N 3.1Å; D365-M368 PolarHBondContact O-N 3.2Å; D365-S369 WeakPolarHBondContact O-CB 3.35Å; D365-S369 PolarHBondContact O-N 2.92Å; D365-F444 HydrophobicContact CB-CD2 4.03Å; D365-F444 HydrophobicContact CB-CE2 4.28Å; D365-F444 VanDerWaalsContact O-CE2 3.3Å; D365-F444 WeakPolarHBondContact O-CE2 3.39Å
366E71.9Confident65.7Low4 Ų445.4 Ų45.42%0.01925%0.252CS..Hα-helixtrans-63.7-50.6173-71.4-60.7160.400112.1L345 K348 Q349 F350 E362 L364 M368 S369 I370L345-E366 HydrophobicContact CD2-CB 4.36Å; K348-E366 VanDerWaalsContact CA-OE1 3.29Å; K348-E366 WeakPolarHBondContact CA-OE1 3.23Å; Q349-E366 WeakPolarHBondContact CA-OE1 3.21Å; Q349-E366 PolarHBondContact N-OE1 3.08Å; F350-E366 PolarHBondContact N-OE1 2.9Å; E362-E366 VanDerWaalsContact O-CG 3.28Å; E362-E366 WeakPolarHBondContact O-CG 3.37Å; E362-E366 PolarHBondContact O-N 3.16Å; L364-E366 VanDerWaalsContact C-N 3.26Å; L364-E366 PolarHBondContact O-N 2.78Å; E366-M368 PolarHBondContact O-N 2.9Å; E366-S369 PolarHBondContact O-N 3.38Å; E366-S369 VanDerWaalsContact O-N 3.16Å; E366-I370 WeakPolarHBondContact O-CD1 3.45Å; E366-I370 WeakPolarHBondContact O-CG1 3.31Å; E366-I370 PolarHBondContact O-N 2.9Å
367A67.1Low67.9Low0 Ų046.4 Ų46.40%025%0.245CC..Hα-helixtrans-59-37.8178.400000112.2V323 L326 I327 A363 L364 S371V323-A367 HydrophobicContact CG1-CB 3.82Å; L326-A367 HydrophobicContact CB-CB 4.37Å; L326-A367 HydrophobicContact CD1-CB 4.4Å; I327-A367 HydrophobicContact CD1-CB 3.8Å; I327-A367 HydrophobicContact CG1-CB 4.05Å; A363-A367 WeakPolarHBondContact O-CB 3.37Å; A363-A367 PolarHBondContact O-N 3.05Å; L364-A367 PolarHBondContact O-N 2.87Å; A367-S371 VanDerWaalsContact O-CB 3.3Å; A367-S371 WeakPolarHBondContact O-CB 3.42Å; A367-S371 PolarHBondContact O-N 2.97Å; A367-S371 PolarHBondContact O-OG 2.93Å
368M76.4Confident69.9Low0 Ų048.8 Ų48.80%025%0.252CS..Hα-helixtrans-68.2-45.4174.5-73.7-65.2-66.300112L326 L364 D365 E366 I370 S371 V372 Y383 L423 Q441 F444L326-M368 HydrophobicContact CD1-CG 3.98Å; L326-M368 HydrophobicContact CD1-SD 3.49Å; L326-M368 WeakPolarHBondContact CD1-SD 3.43Å; L326-M368 HydrophobicContact CD2-SD 3.89Å; L326-M368 HydrophobicContact CG-SD 4.36Å; L364-M368 HydrophobicContact CD1-CG 4.2Å; L364-M368 HydrophobicContact CG-CG 4.41Å; L364-M368 WeakPolarHBondContact O-CB 3.49Å; L364-M368 WeakPolarHBondContact O-CG 2.97Å; L364-M368 PolarHBondContact O-N 2.94Å; D365-M368 PolarHBondContact O-N 3.2Å; E366-M368 PolarHBondContact O-N 2.9Å; M368-I370 VanDerWaalsContact C-N 3.33Å; M368-I370 PolarHBondContact O-N 3.31Å; M368-S371 PolarHBondContact O-N 3.35Å; M368-V372 WeakPolarHBondContact O-CB 3.37Å; M368-V372 VanDerWaalsContact O-CG2 3.27Å; M368-V372 WeakPolarHBondContact O-CG2 3.25Å; M368-V372 PolarHBondContact O-N 3.05Å; M368-Y383 WeakPolarHBondContact CE-OH 3.47Å; M368-L423 HydrophobicContact CE-CD2 3.84Å; M368-L423 HydrophobicContact SD-CD2 3.86Å; M368-Q441 HydrophobicContact CE-CB 3.78Å; M368-Q441 HydrophobicContact CE-CG 3.74Å; M368-Q441 HydrophobicContact SD-CG 3.91Å; M368-F444 HydrophobicContact CB-CD1 3.77Å; M368-F444 HydrophobicContact CB-CD2 4.14Å; M368-F444 HydrophobicContact CB-CE1 3.7Å; M368-F444 HydrophobicContact CB-CE2 4.08Å; M368-F444 HydrophobicContact CB-CG 4Å; M368-F444 HydrophobicContact CB-CZ 3.86Å; M368-F444 HydrophobicContact CE-CD1 4.13Å; M368-F444 HydrophobicContact CG-CD1 4.43Å
369S79.1Confident72.2Confident14 Ų1445 Ų4510%0.09822%0.221CC..Hα-helixtrans-59.1-46.3177.9-163.50000111.4D365 E366 S371 V372 E373D365-S369 WeakPolarHBondContact O-CB 3.35Å; D365-S369 PolarHBondContact O-N 2.92Å; E366-S369 PolarHBondContact O-N 3.38Å; E366-S369 VanDerWaalsContact O-N 3.16Å; S369-S371 PolarHBondContact O-N 2.9Å; S369-V372 PolarHBondContact O-N 2.82Å; S369-E373 WeakPolarHBondContact O-CB 3.3Å; S369-E373 WeakPolarHBondContact O-CG 3.26Å; S369-E373 PolarHBondContact O-N 3.24Å
370I75.1Confident73.8Confident1 Ų141 Ų411%0.00521%0.206CC..Hα-helixtrans-61-46.4176.5-62163.1000110.4L330 Y341 Q344 E366 M368 V372 E373 Q374L330-I370 HydrophobicContact CD1-CB 4.11Å; L330-I370 HydrophobicContact CD1-CG2 3.5Å; L330-I370 VanDerWaalsContact CD1-CG2 3.5Å; Y341-I370 HydrophobicContact CD1-CD1 4.46Å; Y341-I370 HydrophobicContact CD1-CG2 3.41Å; Y341-I370 VanDerWaalsContact CD1-CG2 3.41Å; Y341-I370 HydrophobicContact CE1-CG2 3.21Å; Q344-I370 HydrophobicContact CB-CD1 3.9Å; Q344-I370 HydrophobicContact CB-CG1 4.46Å; Q344-I370 HydrophobicContact CG-CD1 3.83Å; Q344-I370 HydrophobicContact CG-CG1 3.92Å; E366-I370 WeakPolarHBondContact O-CD1 3.45Å; E366-I370 WeakPolarHBondContact O-CG1 3.31Å; E366-I370 PolarHBondContact O-N 2.9Å; M368-I370 VanDerWaalsContact C-N 3.33Å; M368-I370 PolarHBondContact O-N 3.31Å; I370-V372 VanDerWaalsContact C-N 3.32Å; I370-V372 PolarHBondContact O-N 2.89Å; I370-E373 PolarHBondContact O-N 2.75Å; I370-Q374 WeakPolarHBondContact O-CG 3.46Å; I370-Q374 PolarHBondContact O-N 2.97Å
371S75.9Confident75.6Confident7 Ų740.8 Ų40.85%0.04921%0.205CC..Hα-helixtrans-63.3-39.6-177.6-60.20000112.3L330 A367 M368 S369L330-S371 VanDerWaalsContact CD1-OG 3.27Å; L330-S371 WeakPolarHBondContact CD1-OG 3.4Å; A367-S371 VanDerWaalsContact O-CB 3.3Å; A367-S371 WeakPolarHBondContact O-CB 3.42Å; A367-S371 PolarHBondContact O-N 2.97Å; A367-S371 PolarHBondContact O-OG 2.93Å; M368-S371 PolarHBondContact O-N 3.35Å; S369-S371 PolarHBondContact O-N 2.9Å
372V79.6Confident76.9Confident11 Ų1141.3 Ų41.37%0.06721%0.207CC..Hα-helixtrans-73.3-37.3179174.90000111.9M368 S369 I370 Q374 L375 K380 Y383 F444M368-V372 WeakPolarHBondContact O-CB 3.37Å; M368-V372 VanDerWaalsContact O-CG2 3.27Å; M368-V372 WeakPolarHBondContact O-CG2 3.25Å; M368-V372 PolarHBondContact O-N 3.05Å; S369-V372 PolarHBondContact O-N 2.82Å; I370-V372 VanDerWaalsContact C-N 3.32Å; I370-V372 PolarHBondContact O-N 2.89Å; V372-Q374 PolarHBondContact O-N 2.98Å; V372-L375 WeakPolarHBondContact O-CB 3.29Å; V372-L375 PolarHBondContact O-N 3.26Å; V372-K380 WeakPolarHBondContact O-CE 3.41Å; V372-Y383 HydrophobicContact CG1-CD1 4.29Å; V372-Y383 HydrophobicContact CG2-CD1 3.77Å; V372-Y383 HydrophobicContact CG2-CE1 3.47Å; V372-Y383 VanDerWaalsContact CG2-CE1 3.47Å; V372-F444 HydrophobicContact CG2-CE1 4.47Å
373E80.6Confident77.9Confident90 Ų9038.4 Ų38.442%0.42119%0.194SC..Hα-helixtrans-64.1-26.2177.4-80.1177.8-170.500113.5S369 I370 K380S369-E373 WeakPolarHBondContact O-CB 3.3Å; S369-E373 WeakPolarHBondContact O-CG 3.26Å; S369-E373 PolarHBondContact O-N 3.24Å; I370-E373 PolarHBondContact O-N 2.75Å; E373-K380 WeakPolarHBondContact O-CE 3.46Å; E373-K380 PolarHBondContact O-NZ 3.01Å
374Q77.8Confident79.1Confident44 Ų4439.8 Ų39.821%0.20620%0.195CC..THydrogen-bonded Turntrans-88.2-0.9179.6-63.4-59.7-44.500114.3L330 F334 I370 V372L330-Q374 HydrophobicContact CD2-CB 3.98Å; L330-Q374 HydrophobicContact CD2-CG 4Å; F334-Q374 HydrophobicContact CE2-CB 3.94Å; F334-Q374 HydrophobicContact CE2-CG 4.16Å; I370-Q374 WeakPolarHBondContact O-CG 3.46Å; I370-Q374 PolarHBondContact O-N 2.97Å; V372-Q374 PolarHBondContact O-N 2.98Å
375L77.4Confident79.9Confident6 Ų640.2 Ų40.23%0.03120%0.198CC..SBendtrans-69.4155.1171.9-67.2173.8000110.9V372 F379 K380 Y383 F418 K421 L423V372-L375 WeakPolarHBondContact O-CB 3.29Å; V372-L375 PolarHBondContact O-N 3.26Å; L375-F379 HydrophobicContact CB-CB 4.39Å; L375-K380 HydrophobicContact CB-CG 3.74Å; L375-K380 WeakPolarHBondContact O-CE 3.28Å; L375-Y383 HydrophobicContact CD1-CD1 4.24Å; L375-Y383 HydrophobicContact CD1-CG 4.07Å; L375-F418 HydrophobicContact CD1-CE1 4.1Å; L375-F418 HydrophobicContact CD2-CD1 4.4Å; L375-F418 HydrophobicContact CD2-CE1 4.24Å; L375-K421 HydrophobicContact CD2-CD 3.51Å; L375-L423 HydrophobicContact CD1-CD1 4.03Å; L375-L423 HydrophobicContact CD2-CD1 4.17Å; L375-L423 HydrophobicContact CG-CD1 4.39Å
376N78.3Confident80.7Confident99 Ų9940.1 Ų40.153%0.52920%0.197SC..  trans-61.4148.7169.9-65-24.4000109.8N378 F379 K380N376-N378 VanDerWaalsContact C-N 3.27Å; N376-N378 PolarHBondContact O-N 3.29Å; N376-F379 HydrophobicContact CB-CB 4.4Å; N376-F379 HydrophobicContact CB-CD2 3.85Å; N376-F379 HydrophobicContact CB-CE2 4.45Å; N376-F379 HydrophobicContact CB-CG 4.27Å; N376-F379 CarbonylContact O-C 3.55Å; N376-F379 WeakPolarHBondContact O-CA 3.35Å; N376-F379 PolarHBondContact O-N 2.83Å; N376-K380 PolarHBondContact O-N 2.88Å
377E78.3Confident81.5Confident130 Ų13040.1 Ų40.161%0.60720%0.197SC*.Hα-helixtrans-54.6-41.2-176.1-65.6-58.5132.600112.7F379 K380 D381E377-F379 PolarHBondContact O-N 3.1Å; E377-K380 WeakPolarHBondContact O-CB 3.49Å; E377-K380 PolarHBondContact O-N 3.46Å; E377-K380 IonicContact OE1-NZ 3.79Å; E377-K380 PolarHBondContact OE1-NZ 3.32Å; E377-D381 PolarHBondContact O-N 2.99Å
378N79.9Confident82.6Confident119 Ų11940.2 Ų40.264%0.63620%0.198SC*.Hα-helixtrans-65-38175.4-61.5-2.6000112.9N376 D381 Y382N376-N378 VanDerWaalsContact C-N 3.27Å; N376-N378 PolarHBondContact O-N 3.29Å; N378-D381 PolarHBondContact O-N 3.4Å; N378-Y382 WeakPolarHBondContact O-CD2 3.17Å; N378-Y382 PolarHBondContact O-N 3.12Å
379F82.1Confident83.1Confident38 Ų3840.6 Ų40.617%0.16720%0.2CC..Hα-helixtrans-76.3-24179.2-64.6-23000112.9L375 N376 E377 D381 Y382 Y383 I414 E417 F418L375-F379 HydrophobicContact CB-CB 4.39Å; N376-F379 HydrophobicContact CB-CB 4.4Å; N376-F379 HydrophobicContact CB-CD2 3.85Å; N376-F379 HydrophobicContact CB-CE2 4.45Å; N376-F379 HydrophobicContact CB-CG 4.27Å; N376-F379 CarbonylContact O-C 3.55Å; N376-F379 WeakPolarHBondContact O-CA 3.35Å; N376-F379 PolarHBondContact O-N 2.83Å; E377-F379 PolarHBondContact O-N 3.1Å; F379-D381 VanDerWaalsContact C-N 3.32Å; F379-Y382 AromaticContact CD1-CD2 3.99Å; F379-Y382 HydrophobicContact CD1-CD2 3.99Å; F379-Y382 HydrophobicContact CD1-CE2 4.41Å; F379-Y383 VanDerWaalsContact O-CB 3.24Å; F379-Y383 WeakPolarHBondContact O-CB 3.43Å; F379-Y383 PolarHBondContact O-N 3.42Å; F379-I414 HydrophobicContact CD1-CG2 4.27Å; F379-I414 HydrophobicContact CE1-CG1 4.03Å; F379-I414 HydrophobicContact CE1-CG2 4.28Å; F379-E417 WeakPolarHBondContact CE2-OE1 3.33Å; F379-E417 WeakPolarHBondContact CE2-OE2 3.01Å; F379-E417 WeakPolarHBondContact CZ-OE2 3.33Å; F379-F418 HydrophobicContact CB-CE1 4.04Å; F379-F418 HydrophobicContact CB-CZ 4.2Å; F379-F418 WeakPolarHBondContact O-CZ 3.26Å
380K84.1Confident83.2Confident49 Ų4940.7 Ų40.721%0.21320%0.2CC..Hα-helixtrans-62.7-42.3171.3-74.1176.9177.1162.80111.1V372 E373 L375 N376 E377 Y383 K384V372-K380 WeakPolarHBondContact O-CE 3.41Å; E373-K380 WeakPolarHBondContact O-CE 3.46Å; E373-K380 PolarHBondContact O-NZ 3.01Å; L375-K380 HydrophobicContact CB-CG 3.74Å; L375-K380 WeakPolarHBondContact O-CE 3.28Å; N376-K380 PolarHBondContact O-N 2.88Å; E377-K380 WeakPolarHBondContact O-CB 3.49Å; E377-K380 PolarHBondContact O-N 3.46Å; E377-K380 IonicContact OE1-NZ 3.79Å; E377-K380 PolarHBondContact OE1-NZ 3.32Å; K380-Y383 PolarHBondContact O-N 3.34Å; K380-K384 VanDerWaalsContact O-CB 3.26Å; K380-K384 WeakPolarHBondContact O-CB 3.26Å; K380-K384 PolarHBondContact O-N 2.75Å
381D86.9Confident83.4Confident96 Ų9645.3 Ų45.351%0.51322%0.22SC..Hα-helixtrans-66.6-46.9178.1-73-24.2000111.1E377 N378 F379 Y383 K384 D385E377-D381 PolarHBondContact O-N 2.99Å; N378-D381 PolarHBondContact O-N 3.4Å; F379-D381 VanDerWaalsContact C-N 3.32Å; D381-Y383 PolarHBondContact O-N 3.25Å; D381-K384 WeakPolarHBondContact O-CB 3.49Å; D381-K384 PolarHBondContact O-N 3.48Å; D381-K384 VanDerWaalsContact O-N 3.16Å; D381-D385 PolarHBondContact O-N 3.33Å
382Y89.4Confident83.3Confident62 Ų6246.5 Ų46.524%0.24323%0.226CC..Hα-helixtrans-61.9-40.6175.1-62.4-35.5000113.2N378 F379 K384 D385 L386 W404 I414N378-Y382 WeakPolarHBondContact O-CD2 3.17Å; N378-Y382 PolarHBondContact O-N 3.12Å; F379-Y382 AromaticContact CD1-CD2 3.99Å; F379-Y382 HydrophobicContact CD1-CD2 3.99Å; F379-Y382 HydrophobicContact CD1-CE2 4.41Å; Y382-K384 VanDerWaalsContact C-N 3.3Å; Y382-K384 PolarHBondContact O-N 3.27Å; Y382-D385 WeakPolarHBondContact O-CB 3.41Å; Y382-D385 PolarHBondContact O-N 3.31Å; Y382-L386 PolarHBondContact O-N 3.4Å; Y382-W404 AromaticContact CD1-CD1 3.6Å; Y382-W404 HydrophobicContact CD1-CD2 4.04Å; Y382-W404 AromaticContact CD1-CE2 3.79Å; Y382-W404 AromaticContact CD1-CG 3.97Å; Y382-W404 HydrophobicContact CD1-CG 3.97Å; Y382-W404 HydrophobicContact CD1-CZ2 4.46Å; Y382-W404 AromaticContact CD1-NE1 3.48Å; Y382-W404 AromaticContact CE1-CD1 3.94Å; Y382-W404 HydrophobicContact CE1-CG 4.1Å; Y382-W404 HydrophobicContact CG-CD2 4.38Å; Y382-W404 HydrophobicContact CG-CZ2 4.27Å; Y382-W404 WeakPolarHBondContact O-CZ2 3.44Å; Y382-I414 HydrophobicContact CD2-CD1 4.14Å; Y382-I414 HydrophobicContact CD2-CG2 4.19Å; Y382-I414 HydrophobicContact CE2-CD1 3.94Å
383Y87.8Confident83.3Confident0 Ų047 Ų470%023%0.23CC..Hα-helixtrans-68.3-32.1177.2-167.7-107.8000112.2M368 V372 L375 F379 K380 D381 D385 L386 F418 L423 L445M368-Y383 WeakPolarHBondContact CE-OH 3.47Å; V372-Y383 HydrophobicContact CG1-CD1 4.29Å; V372-Y383 HydrophobicContact CG2-CD1 3.77Å; V372-Y383 HydrophobicContact CG2-CE1 3.47Å; V372-Y383 VanDerWaalsContact CG2-CE1 3.47Å; L375-Y383 HydrophobicContact CD1-CD1 4.24Å; L375-Y383 HydrophobicContact CD1-CG 4.07Å; F379-Y383 VanDerWaalsContact O-CB 3.24Å; F379-Y383 WeakPolarHBondContact O-CB 3.43Å; F379-Y383 PolarHBondContact O-N 3.42Å; K380-Y383 PolarHBondContact O-N 3.34Å; D381-Y383 PolarHBondContact O-N 3.25Å; Y383-D385 VanDerWaalsContact C-N 3.35Å; Y383-L386 HydrophobicContact CD2-CD1 3.87Å; Y383-L386 HydrophobicContact CE2-CD1 4.2Å; Y383-L386 PolarHBondContact O-N 3.38Å; Y383-F418 HydrophobicContact CD2-CD1 4.04Å; Y383-F418 HydrophobicContact CD2-CD2 4.12Å; Y383-F418 HydrophobicContact CD2-CE1 4.11Å; Y383-F418 HydrophobicContact CD2-CE2 4.19Å; Y383-F418 HydrophobicContact CD2-CG 4.07Å; Y383-F418 HydrophobicContact CD2-CZ 4.19Å; Y383-F418 HydrophobicContact CG-CE1 4.41Å; Y383-F418 HydrophobicContact CG-CZ 4.47Å; Y383-L423 HydrophobicContact CE2-CB 3.67Å; Y383-L423 HydrophobicContact CE2-CD1 4.36Å; Y383-L423 HydrophobicContact CE2-CG 4.49Å; Y383-L423 PolarHBondContact OH-O 3.17Å; Y383-L445 HydrophobicContact CD1-CD2 4.03Å; Y383-L445 HydrophobicContact CE1-CD1 3.99Å; Y383-L445 HydrophobicContact CE1-CD2 3.69Å; Y383-L445 HydrophobicContact CE1-CG 4.29Å
384K89Confident83.5Confident51 Ų5145.4 Ų45.422%0.22222%0.221CC..Hα-helixtrans-64.8-39.1172.3165-176.2163.7-170.70111.4K380 D381 Y382 L386 S387 Q452 L456K380-K384 VanDerWaalsContact O-CB 3.26Å; K380-K384 WeakPolarHBondContact O-CB 3.26Å; K380-K384 PolarHBondContact O-N 2.75Å; D381-K384 WeakPolarHBondContact O-CB 3.49Å; D381-K384 PolarHBondContact O-N 3.48Å; D381-K384 VanDerWaalsContact O-N 3.16Å; Y382-K384 VanDerWaalsContact C-N 3.3Å; Y382-K384 PolarHBondContact O-N 3.27Å; K384-L386 PolarHBondContact O-N 3.15Å; K384-S387 VanDerWaalsContact O-CB 3.28Å; K384-S387 WeakPolarHBondContact O-CB 3.37Å; K384-S387 PolarHBondContact O-N 2.77Å; K384-S387 VanDerWaalsContact O-N 3.09Å; K384-S387 PolarHBondContact O-OG 3.25Å; K384-Q452 VanDerWaalsContact NZ-CD 3.34Å; K384-L456 HydrophobicContact CG-CD1 4.15Å
385D89.3Confident84Confident21 Ų2143.3 Ų43.311%0.11221%0.211CC..Hα-helixtrans-60.1-30.7178-66.9-24.5000112.5D381 Y382 Y383 S387 I388 L403 W404 L456D381-D385 PolarHBondContact O-N 3.33Å; Y382-D385 WeakPolarHBondContact O-CB 3.41Å; Y382-D385 PolarHBondContact O-N 3.31Å; Y383-D385 VanDerWaalsContact C-N 3.35Å; D385-S387 PolarHBondContact O-N 3.39Å; D385-I388 VanDerWaalsContact O-CG1 3.3Å; D385-I388 WeakPolarHBondContact O-CG1 3.24Å; D385-I388 PolarHBondContact O-N 2.79Å; D385-L403 HydrophobicContact CB-CD2 4Å; D385-W404 PolarHBondContact OD2-NE1 2.96Å; D385-W404 VanDerWaalsContact OD2-NE1 3.08Å; D385-L456 VanDerWaalsContact OD1-CD2 3.26Å; D385-L456 WeakPolarHBondContact OD1-CD2 3.38Å
386L89.6Confident84.6Confident1 Ų143.3 Ų43.31%0.00521%0.212CC..G310 helixtrans-65-6.4176.6-57.4178.1000114.2Y382 Y383 K384 I388 L389 L400 W404 F418 L424 L437Y382-L386 PolarHBondContact O-N 3.4Å; Y383-L386 HydrophobicContact CD2-CD1 3.87Å; Y383-L386 HydrophobicContact CE2-CD1 4.2Å; Y383-L386 PolarHBondContact O-N 3.38Å; K384-L386 PolarHBondContact O-N 3.15Å; L386-I388 PolarHBondContact O-N 3.46Å; L386-L389 HydrophobicContact CB-CD1 4.29Å; L386-L389 HydrophobicContact CD2-CD1 4.15Å; L386-L389 WeakPolarHBondContact O-CB 3.27Å; L386-L389 WeakPolarHBondContact O-CG 3.04Å; L386-L389 PolarHBondContact O-N 2.96Å; L386-L400 HydrophobicContact CD2-CD1 4.44Å; L386-L400 HydrophobicContact CD2-CD2 3.78Å; L386-W404 HydrophobicContact CD2-CH2 4.33Å; L386-W404 HydrophobicContact CD2-CZ2 4.13Å; L386-F418 HydrophobicContact CD1-CD2 4.22Å; L386-F418 HydrophobicContact CD1-CE2 4.33Å; L386-L424 HydrophobicContact CD1-CD1 4.36Å; L386-L437 HydrophobicContact CB-CD1 4.17Å
387S88.9Confident85.1Confident3 Ų338.8 Ų38.82%0.02119%0.187CC..G310 helixtrans-67.8-15175.161.70000114.4K384 D385 L389 L456K384-S387 VanDerWaalsContact O-CB 3.28Å; K384-S387 WeakPolarHBondContact O-CB 3.37Å; K384-S387 PolarHBondContact O-N 2.77Å; K384-S387 VanDerWaalsContact O-N 3.09Å; K384-S387 PolarHBondContact O-OG 3.25Å; D385-S387 PolarHBondContact O-N 3.39Å; S387-L389 VanDerWaalsContact C-N 3.31Å; S387-L456 WeakPolarHBondContact OG-CD1 3.5Å
388I89.5Confident85.6Confident2 Ų237.1 Ų37.11%0.0118%0.178CC..G310 helixtrans-82.9-6.6177.570.5-169.2000113.6D385 L386 L403 L456 I460 H490D385-I388 VanDerWaalsContact O-CG1 3.3Å; D385-I388 WeakPolarHBondContact O-CG1 3.24Å; D385-I388 PolarHBondContact O-N 2.79Å; L386-I388 PolarHBondContact O-N 3.46Å; I388-L403 HydrophobicContact CD1-CD1 4.16Å; I388-L403 HydrophobicContact CD1-CD2 4.04Å; I388-L456 HydrophobicContact CG2-CB 3.43Å; I388-L456 VanDerWaalsContact CG2-CB 3.43Å; I388-L456 HydrophobicContact CG2-CD1 4.4Å; I388-I460 HydrophobicContact CD1-CB 3.94Å; I388-I460 HydrophobicContact CD1-CD1 3.74Å; I388-I460 HydrophobicContact CD1-CG1 4.42Å; I388-I460 HydrophobicContact CD1-CG2 4Å; I388-H490 PolarHBondContact O-CE1 3.21Å
389L86.6Confident86.1Confident9 Ų931.5 Ų31.55%0.04715%0.148CC..SBendtrans-68.5136.4-177-64.8-175.3000110.6L386 S387 V395 L437 L442L386-L389 HydrophobicContact CB-CD1 4.29Å; L386-L389 HydrophobicContact CD2-CD1 4.15Å; L386-L389 WeakPolarHBondContact O-CB 3.27Å; L386-L389 WeakPolarHBondContact O-CG 3.04Å; L386-L389 PolarHBondContact O-N 2.96Å; S387-L389 VanDerWaalsContact C-N 3.31Å; L389-V395 HydrophobicContact CD1-CG2 4.15Å; L389-V395 HydrophobicContact CD2-CB 4.45Å; L389-V395 HydrophobicContact CD2-CG1 4.3Å; L389-V395 HydrophobicContact CD2-CG2 3.59Å; L389-V395 HydrophobicContact CG-CG2 4.34Å; L389-L437 HydrophobicContact CD1-CD1 4.31Å; L389-L442 VanDerWaalsContact O-CD2 3.26Å; L389-L442 WeakPolarHBondContact O-CD2 3.49Å
390P81.1Confident86.5Confident16 Ų1629.8 Ų29.810%0.10414%0.141CC..PPolyproline II helixtrans-68.5150.7173.9-2.915.6000111.1V393 F486 Y489P390-V393 HydrophobicContact CB-CB 4.18Å; P390-V393 HydrophobicContact CB-CG2 3.72Å; P390-V393 HydrophobicContact CG-CB 4.18Å; P390-V393 HydrophobicContact CG-CG1 4.45Å; P390-V393 HydrophobicContact CG-CG2 4.02Å; P390-F486 HydrophobicContact CB-CD1 4.43Å; P390-F486 HydrophobicContact CB-CE1 4.22Å; P390-F486 HydrophobicContact CG-CD1 3.83Å; P390-F486 HydrophobicContact CG-CD2 4.47Å; P390-F486 HydrophobicContact CG-CE1 3.99Å; P390-F486 HydrophobicContact CG-CG 4.09Å; P390-F486 HydrophobicContact CG-CZ 4.4Å; P390-Y489 HydrophobicContact CG-CE1 4.35Å
391K78.4Confident86.9Confident97 Ų9727.9 Ų27.942%0.42213%0.133SC..THydrogen-bonded Turntrans-63.3143.8175.5-68.2-177.1175.9-165.20110.9V393 L442 D443K391-V393 PolarHBondContact O-N 3.1Å; K391-V393 VanDerWaalsContact O-N 3.09Å; K391-L442 HydrophobicContact CB-CD2 4.29Å; K391-L442 HydrophobicContact CG-CD2 3.6Å; K391-D443 WeakPolarHBondContact CE-OD1 3.4Å; K391-D443 IonicContact NZ-OD1 3.29Å; K391-D443 PolarHBondContact NZ-OD1 3.48Å; K391-D443 IonicContact NZ-OD2 2.83Å
392D74.6Confident87Confident32 Ų3223.7 Ų23.717%0.17111%0.111CC..THydrogen-bonded Turntrans57.421.4177.4-59.5-53.3000115.4G188 K189 K198G188-D392 VanDerWaalsContact CA-OD2 3.27Å; G188-D392 WeakPolarHBondContact CA-OD2 3.23Å; K189-D392 PolarHBondContact N-OD2 3.35Å; K198-D392 PolarHBondContact NZ-O 2.83Å
393V80.6Confident87.1Confident23 Ų2321 Ų2114%0.13910%0.101CC..  trans-106.8127.2177.4177.80000110.4P390 K391 V395 Y482 F486P390-V393 HydrophobicContact CB-CB 4.18Å; P390-V393 HydrophobicContact CB-CG2 3.72Å; P390-V393 HydrophobicContact CG-CB 4.18Å; P390-V393 HydrophobicContact CG-CG1 4.45Å; P390-V393 HydrophobicContact CG-CG2 4.02Å; K391-V393 PolarHBondContact O-N 3.1Å; K391-V393 VanDerWaalsContact O-N 3.09Å; V393-V395 HydrophobicContact CG1-CG2 4.37Å; V393-Y482 HydrophobicContact CG1-CD2 4.38Å; V393-Y482 HydrophobicContact CG1-CE2 4.23Å; V393-F486 HydrophobicContact CG1-CE2 3.87Å; V393-F486 HydrophobicContact CG1-CZ 4.25Å; V393-F486 HydrophobicContact CG2-CE1 4.24Å; V393-F486 HydrophobicContact CG2-CE2 4.06Å; V393-F486 HydrophobicContact CG2-CZ 3.57Å
394K83.9Confident87.3Confident56 Ų5622.1 Ų22.124%0.24311%0.105CC..PPolyproline II helixtrans-86.7121.7170.6-66.7-174.1-178.8-179.20108.4D427 H434 Y436K394-D427 IonicContact NZ-OD2 2.67Å; K394-D427 PolarHBondContact NZ-OD2 3.11Å; K394-H434 HydrophobicContact CB-CB 4.17Å; K394-Y436 HydrophobicContact CG-CD1 4.21Å; K394-Y436 HydrophobicContact CG-CG 4.42Å
395V88.1Confident87.3Confident0 Ų024.1 Ų24.10%012%0.118CC..EExtended strand (participates in β ladder)trans-103.8127.3-171.8-177.80000109.2L389 V393 V399 L400 H434 Y435 Y482L389-V395 HydrophobicContact CD1-CG2 4.15Å; L389-V395 HydrophobicContact CD2-CB 4.45Å; L389-V395 HydrophobicContact CD2-CG1 4.3Å; L389-V395 HydrophobicContact CD2-CG2 3.59Å; L389-V395 HydrophobicContact CG-CG2 4.34Å; V393-V395 HydrophobicContact CG1-CG2 4.37Å; V395-V399 HydrophobicContact CG1-CB 3.92Å; V395-V399 HydrophobicContact CG1-CG1 4.06Å; V395-V399 HydrophobicContact CG1-CG2 4.48Å; V395-L400 HydrophobicContact CG1-CG 4.37Å; V395-H434 CarbonylContact O-C 3.57Å; V395-H434 WeakPolarHBondContact O-CA 3.34Å; V395-Y435 PolarHBondContact N-O 3.2Å; V395-Y435 PolarHBondContact O-N 3.42Å; V395-Y482 HydrophobicContact CG1-CE2 4.34Å; V395-Y482 HydrophobicContact CG2-CE2 4.08Å
396P89.3Confident87.5Confident6 Ų625.3 Ų25.34%0.03912%0.124CC..EExtended strand (participates in β ladder)trans-71.7147.9176.728.5-32000110.9K398 V399 D479P396-K398 PolarHBondContact O-N 2.77Å; P396-V399 HydrophobicContact CG-CG2 3.84Å; P396-V399 PolarHBondContact O-N 2.83Å; P396-V399 VanDerWaalsContact O-N 3.17Å; P396-D479 HydrophobicContact CG-CB 4.41Å
397T89.8Confident87.4Confident3 Ų331.8 Ų31.82%0.01815%0.154CC..Hα-helixtrans-51-37.1-179.5-48.70000112.5V399 L400 C401 T408 V411 E412 F433T397-V399 VanDerWaalsContact C-N 3.28Å; T397-V399 PolarHBondContact O-N 2.94Å; T397-L400 WeakPolarHBondContact O-CB 3.38Å; T397-L400 PolarHBondContact O-N 2.92Å; T397-C401 PolarHBondContact O-N 3.46Å; T397-C401 PolarHBondContact O-SG 2.93Å; T397-C401 VanDerWaalsContact O-SG 3.37Å; T397-T408 HydrophobicContact CG2-CG2 3.88Å; T397-V411 HydrophobicContact CG2-CB 4.35Å; T397-V411 HydrophobicContact CG2-CG1 3.88Å; T397-E412 HydrophobicContact CG2-CG 3.66Å; T397-F433 PolarHBondContact N-O 2.84Å; T397-F433 PolarHBondContact OG1-O 3.26Å; T397-F433 VanDerWaalsContact OG1-O 3.13Å
398K88.8Confident87.3Confident96 Ų9633.8 Ų33.842%0.41717%0.166SC..Hα-helixtrans-59.5-33.9-175.4-166.768-177.8175.20114.1P396 L400 C401 I402 D479P396-K398 PolarHBondContact O-N 2.77Å; K398-L400 VanDerWaalsContact C-N 3.3Å; K398-L400 PolarHBondContact O-N 2.67Å; K398-C401 WeakPolarHBondContact O-CB 3.46Å; K398-C401 PolarHBondContact O-N 2.95Å; K398-I402 WeakPolarHBondContact O-CG1 3.3Å; K398-I402 PolarHBondContact O-N 3.16Å; K398-I402 VanDerWaalsContact O-N 3.11Å; K398-D479 HydrophobicContact CB-CB 4.17Å; K398-D479 HydrophobicContact CG-CB 4.31Å
399V90.7Very high87.2Confident1 Ų139.5 Ų39.51%0.00619%0.193CC..Hα-helixtrans-65-38176.51730000110.8V395 P396 T397 I402 L403 I460 D479 Y482 W483V395-V399 HydrophobicContact CG1-CB 3.92Å; V395-V399 HydrophobicContact CG1-CG1 4.06Å; V395-V399 HydrophobicContact CG1-CG2 4.48Å; P396-V399 HydrophobicContact CG-CG2 3.84Å; P396-V399 PolarHBondContact O-N 2.83Å; P396-V399 VanDerWaalsContact O-N 3.17Å; T397-V399 VanDerWaalsContact C-N 3.28Å; T397-V399 PolarHBondContact O-N 2.94Å; V399-I402 WeakPolarHBondContact O-CB 3.4Å; V399-I402 PolarHBondContact O-N 3.38Å; V399-L403 PolarHBondContact O-N 2.86Å; V399-I460 HydrophobicContact CG1-CD1 4.42Å; V399-D479 HydrophobicContact CG2-CB 3.73Å; V399-Y482 HydrophobicContact CB-CD1 4.4Å; V399-Y482 HydrophobicContact CG1-CD1 3.88Å; V399-Y482 HydrophobicContact CG1-CE1 3.64Å; V399-Y482 HydrophobicContact CG2-CD1 3.58Å; V399-Y482 HydrophobicContact CG2-CE1 4.22Å; V399-Y482 HydrophobicContact CG2-CG 3.79Å; V399-W483 HydrophobicContact CG1-CH2 4.23Å; V399-W483 HydrophobicContact CG1-CZ2 4.05Å; V399-W483 HydrophobicContact CG2-CZ2 4.32Å
400L91.1Very high87.3Confident2 Ų243.6 Ų43.61%0.0121%0.211CC..Hα-helixtrans-75-31.9178.2-61.3172.8000111.6L386 V395 T397 K398 I402 L403 W404 V411 L415L386-L400 HydrophobicContact CD2-CD1 4.44Å; L386-L400 HydrophobicContact CD2-CD2 3.78Å; V395-L400 HydrophobicContact CG1-CG 4.37Å; T397-L400 WeakPolarHBondContact O-CB 3.38Å; T397-L400 PolarHBondContact O-N 2.92Å; K398-L400 VanDerWaalsContact C-N 3.3Å; K398-L400 PolarHBondContact O-N 2.67Å; L400-I402 VanDerWaalsContact C-N 3.28Å; L400-I402 PolarHBondContact O-N 3.1Å; L400-L403 HydrophobicContact CD2-CD2 4.09Å; L400-L403 PolarHBondContact O-N 2.85Å; L400-W404 HydrophobicContact CB-CZ3 4.44Å; L400-W404 PolarHBondContact O-N 3.35Å; L400-V411 HydrophobicContact CB-CG1 3.88Å; L400-L415 HydrophobicContact CD1-CD1 3.51Å; L400-L415 HydrophobicContact CD1-CD2 3.87Å; L400-L415 HydrophobicContact CD1-CG 4.34Å
401C90.8Very high87.7Confident8 Ų842.8 Ų42.85%0.05421%0.206CC..Hα-helixtrans-58-41.3167.6-58.30000111.9T397 K398 D405 M406 V411T397-C401 PolarHBondContact O-N 3.46Å; T397-C401 PolarHBondContact O-SG 2.93Å; T397-C401 VanDerWaalsContact O-SG 3.37Å; K398-C401 WeakPolarHBondContact O-CB 3.46Å; K398-C401 PolarHBondContact O-N 2.95Å; C401-D405 WeakPolarHBondContact O-CA 3.44Å; C401-D405 PolarHBondContact O-N 3.45Å; C401-M406 WeakPolarHBondContact CB-O 3.31Å; C401-M406 PolarHBondContact O-N 3.03Å; C401-V411 HydrophobicContact CB-CG2 4.46Å
402I89.8Confident88Confident9 Ų940.3 Ų40.35%0.04620%0.196CC..Hα-helixtrans-66.9-42.4175.9-67.3162000110.5K398 V399 L400 W404 Q463 C467 Y468 D479 W483K398-I402 WeakPolarHBondContact O-CG1 3.3Å; K398-I402 PolarHBondContact O-N 3.16Å; K398-I402 VanDerWaalsContact O-N 3.11Å; V399-I402 WeakPolarHBondContact O-CB 3.4Å; V399-I402 PolarHBondContact O-N 3.38Å; L400-I402 VanDerWaalsContact C-N 3.28Å; L400-I402 PolarHBondContact O-N 3.1Å; I402-W404 PolarHBondContact O-N 3.21Å; I402-Q463 HydrophobicContact CG2-CB 4.11Å; I402-Q463 VanDerWaalsContact O-CB 3.3Å; I402-Q463 WeakPolarHBondContact O-CB 3.42Å; I402-C467 HydrophobicContact CG2-CB 4.48Å; I402-Y468 HydrophobicContact CD1-CE2 3.79Å; I402-D479 VanDerWaalsContact CD1-OD2 3.25Å; I402-D479 WeakPolarHBondContact CD1-OD2 3.22Å; I402-W483 HydrophobicContact CB-CZ2 4.34Å; I402-W483 HydrophobicContact CD1-CZ2 3.72Å; I402-W483 HydrophobicContact CG2-CH2 4.49Å; I402-W483 HydrophobicContact CG2-CZ2 4.12Å
403L91.6Very high88.6Confident6 Ų644.6 Ų44.63%0.03122%0.219CC..Hα-helixtrans-61.6-42.4-179.1-176.158.6000112.7D385 I388 V399 L400 I460D385-L403 HydrophobicContact CB-CD2 4Å; I388-L403 HydrophobicContact CD1-CD1 4.16Å; I388-L403 HydrophobicContact CD1-CD2 4.04Å; V399-L403 PolarHBondContact O-N 2.86Å; L400-L403 HydrophobicContact CD2-CD2 4.09Å; L400-L403 PolarHBondContact O-N 2.85Å; L403-I460 HydrophobicContact CD1-CB 3.77Å; L403-I460 HydrophobicContact CD1-CD1 4.35Å; L403-I460 HydrophobicContact CD1-CG1 4.06Å
404W92.1Very high88.8Confident23 Ų2344.2 Ų44.29%0.08722%0.216CC..Hα-helixtrans-98.4-7.7-175.3-61.4-31.9000114.6Y382 D385 L386 L400 I402 M406 V411 I414 L415 F418Y382-W404 AromaticContact CD1-CD1 3.6Å; Y382-W404 HydrophobicContact CD1-CD2 4.04Å; Y382-W404 AromaticContact CD1-CE2 3.79Å; Y382-W404 AromaticContact CD1-CG 3.97Å; Y382-W404 HydrophobicContact CD1-CG 3.97Å; Y382-W404 HydrophobicContact CD1-CZ2 4.46Å; Y382-W404 AromaticContact CD1-NE1 3.48Å; Y382-W404 AromaticContact CE1-CD1 3.94Å; Y382-W404 HydrophobicContact CE1-CG 4.1Å; Y382-W404 HydrophobicContact CG-CD2 4.38Å; Y382-W404 HydrophobicContact CG-CZ2 4.27Å; Y382-W404 WeakPolarHBondContact O-CZ2 3.44Å; D385-W404 PolarHBondContact OD2-NE1 2.96Å; D385-W404 VanDerWaalsContact OD2-NE1 3.08Å; L386-W404 HydrophobicContact CD2-CH2 4.33Å; L386-W404 HydrophobicContact CD2-CZ2 4.13Å; L400-W404 HydrophobicContact CB-CZ3 4.44Å; L400-W404 PolarHBondContact O-N 3.35Å; I402-W404 PolarHBondContact O-N 3.21Å; W404-M406 HydrophobicContact CB-CG 4.1Å; W404-M406 HydrophobicContact CB-SD 4Å; W404-M406 WeakPolarHBondContact O-CG 3.27Å; W404-V411 HydrophobicContact CE3-CG1 4Å; W404-V411 HydrophobicContact CE3-CG2 4.1Å; W404-V411 HydrophobicContact CZ3-CG1 3.89Å; W404-I414 HydrophobicContact CH2-CG2 4.49Å; W404-I414 HydrophobicContact CZ3-CG2 4.27Å; W404-L415 HydrophobicContact CH2-CD2 3.66Å; W404-L415 HydrophobicContact CH2-CG 4.38Å; W404-L415 HydrophobicContact CZ3-CD2 3.93Å; W404-L415 HydrophobicContact CZ3-CG 4.16Å; W404-F418 HydrophobicContact CH2-CE2 4.46Å
405D89.9Confident88.9Confident92 Ų9241.6 Ų41.649%0.49221%0.205SC..THydrogen-bonded Turntrans5848.6-176.9-156.816000111.9C401 K466C401-D405 WeakPolarHBondContact O-CA 3.44Å; C401-D405 PolarHBondContact O-N 3.45Å; D405-K466 IonicContact OD2-NZ 2.71Å; D405-K466 PolarHBondContact OD2-NZ 3.25Å
406M91.8Very high88.5Confident47 Ų4745.2 Ų45.223%0.23222%0.222CC..  trans-131.2160.6-173.8-65.7-179.872.100112.5C401 W404 E410 V411 I414C401-M406 WeakPolarHBondContact CB-O 3.31Å; C401-M406 PolarHBondContact O-N 3.03Å; W404-M406 HydrophobicContact CB-CG 4.1Å; W404-M406 HydrophobicContact CB-SD 4Å; W404-M406 WeakPolarHBondContact O-CG 3.27Å; M406-E410 HydrophobicContact CE-CB 3.7Å; M406-E410 VanDerWaalsContact CE-OE2 3.29Å; M406-E410 WeakPolarHBondContact CE-OE2 3.39Å; M406-V411 HydrophobicContact CB-CG2 3.72Å; M406-I414 HydrophobicContact CE-CD1 3.81Å; M406-I414 HydrophobicContact SD-CD1 4.06Å
407E89.2Confident88.1Confident136 Ų13647.6 Ų47.664%0.63623%0.232SC*.  trans-71.2159.4175-68.4-170.817200111.9E409 E410 V411E407-E409 PolarHBondContact O-N 3.24Å; E407-E410 HydrophobicContact CB-CG 4.41Å; E407-E410 PolarHBondContact O-N 3.35Å; E407-V411 VanDerWaalsContact O-CG2 3.31Å; E407-V411 WeakPolarHBondContact O-CG2 3.32Å; E407-V411 PolarHBondContact O-N 3.34Å
408T86Confident87.7Confident45 Ų4547.4 Ų47.428%0.27623%0.231SC..Hα-helixtrans-64-41.9-171.9-60.20000112.1T397 V411 E412T397-T408 HydrophobicContact CG2-CG2 3.88Å; T408-V411 PolarHBondContact O-N 3.06Å; T408-E412 WeakPolarHBondContact O-CG 3.41Å; T408-E412 PolarHBondContact O-N 3.23Å
409E87.6Confident87.2Confident123 Ų12343.8 Ų43.858%0.57522%0.217SC*.Hα-helixtrans-63.6-43.3180-63.782.8173.500111.8E407 V411 E412 D413E407-E409 PolarHBondContact O-N 3.24Å; E409-V411 VanDerWaalsContact C-N 3.33Å; E409-V411 PolarHBondContact O-N 3.37Å; E409-E412 PolarHBondContact O-N 3.21Å; E409-D413 PolarHBondContact O-N 2.67Å
410E87.6Confident86.5Confident94 Ų9446.6 Ų46.644%0.43923%0.232SC..Hα-helixtrans-65.1-39.4179.4-57.5-176.8152.600111.7M406 E407 D413 I414M406-E410 HydrophobicContact CE-CB 3.7Å; M406-E410 VanDerWaalsContact CE-OE2 3.29Å; M406-E410 WeakPolarHBondContact CE-OE2 3.39Å; E407-E410 HydrophobicContact CB-CG 4.41Å; E407-E410 PolarHBondContact O-N 3.35Å; E410-D413 PolarHBondContact O-N 3.4Å; E410-I414 WeakPolarHBondContact O-CG1 3.29Å; E410-I414 PolarHBondContact O-N 3.05Å
411V89.4Confident85.6Confident0 Ų047.9 Ų47.90%024%0.238CC..Hα-helixtrans-66.2-43.9176.2172.70000110.6T397 L400 C401 W404 M406 E407 T408 E409 D413 I414 L415T397-V411 HydrophobicContact CG2-CB 4.35Å; T397-V411 HydrophobicContact CG2-CG1 3.88Å; L400-V411 HydrophobicContact CB-CG1 3.88Å; C401-V411 HydrophobicContact CB-CG2 4.46Å; W404-V411 HydrophobicContact CE3-CG1 4Å; W404-V411 HydrophobicContact CE3-CG2 4.1Å; W404-V411 HydrophobicContact CZ3-CG1 3.89Å; M406-V411 HydrophobicContact CB-CG2 3.72Å; E407-V411 VanDerWaalsContact O-CG2 3.31Å; E407-V411 WeakPolarHBondContact O-CG2 3.32Å; E407-V411 PolarHBondContact O-N 3.34Å; T408-V411 PolarHBondContact O-N 3.06Å; E409-V411 VanDerWaalsContact C-N 3.33Å; E409-V411 PolarHBondContact O-N 3.37Å; V411-D413 VanDerWaalsContact C-N 3.31Å; V411-D413 PolarHBondContact O-N 3.06Å; V411-I414 PolarHBondContact O-N 2.92Å; V411-L415 HydrophobicContact CG1-CD1 3.61Å; V411-L415 HydrophobicContact CG1-CG 4.2Å; V411-L415 WeakPolarHBondContact O-CB 3.18Å; V411-L415 WeakPolarHBondContact O-CG 3.48Å; V411-L415 PolarHBondContact O-N 3.24Å
412E86.6Confident84.7Confident45 Ų4548.1 Ų48.121%0.2124%0.239CC..Hα-helixtrans-61.6-38.8177.2-73-179.6-178.600112.1T397 T408 E409 L415 Q416 F433T397-E412 HydrophobicContact CG2-CG 3.66Å; T408-E412 WeakPolarHBondContact O-CG 3.41Å; T408-E412 PolarHBondContact O-N 3.23Å; E409-E412 PolarHBondContact O-N 3.21Å; E412-L415 PolarHBondContact O-N 3.44Å; E412-Q416 WeakPolarHBondContact O-CB 3.44Å; E412-Q416 PolarHBondContact O-N 3.01Å; E412-F433 VanDerWaalsContact CD-CD2 3.49Å; E412-F433 HydrophobicContact CG-CD2 4.25Å; E412-F433 WeakPolarHBondContact OE1-CD2 3.48Å; E412-F433 WeakPolarHBondContact OE2-CE2 3.48Å
413D86.1Confident84.2Confident121 Ų12147.7 Ų47.765%0.64724%0.237SC*.Hα-helixtrans-62.3-45.3175.6-77.6-20000112E409 E410 V411 Q416 E417E409-D413 PolarHBondContact O-N 2.67Å; E410-D413 PolarHBondContact O-N 3.4Å; V411-D413 VanDerWaalsContact C-N 3.31Å; V411-D413 PolarHBondContact O-N 3.06Å; D413-Q416 PolarHBondContact O-N 3.45Å; D413-E417 PolarHBondContact O-N 3.48Å
414I85.5Confident83.7Confident16 Ų1647.5 Ų47.58%0.08224%0.236CC..Hα-helixtrans-62.6-47.7176.2-65.6167.9000110.5F379 Y382 W404 M406 E410 V411 Q416 E417 F418F379-I414 HydrophobicContact CD1-CG2 4.27Å; F379-I414 HydrophobicContact CE1-CG1 4.03Å; F379-I414 HydrophobicContact CE1-CG2 4.28Å; Y382-I414 HydrophobicContact CD2-CD1 4.14Å; Y382-I414 HydrophobicContact CD2-CG2 4.19Å; Y382-I414 HydrophobicContact CE2-CD1 3.94Å; W404-I414 HydrophobicContact CH2-CG2 4.49Å; W404-I414 HydrophobicContact CZ3-CG2 4.27Å; M406-I414 HydrophobicContact CE-CD1 3.81Å; M406-I414 HydrophobicContact SD-CD1 4.06Å; E410-I414 WeakPolarHBondContact O-CG1 3.29Å; E410-I414 PolarHBondContact O-N 3.05Å; V411-I414 PolarHBondContact O-N 2.92Å; I414-Q416 VanDerWaalsContact C-N 3.29Å; I414-Q416 PolarHBondContact O-N 3.21Å; I414-E417 WeakPolarHBondContact O-CB 3.42Å; I414-E417 PolarHBondContact O-N 3.26Å; I414-E417 VanDerWaalsContact O-N 3.14Å; I414-F418 HydrophobicContact CG2-CE2 3.85Å; I414-F418 HydrophobicContact CG2-CZ 4.08Å; I414-F418 PolarHBondContact O-N 3.25Å
415L84.4Confident83.2Confident0 Ų049.1 Ų49.10%024%0.244CC..Hα-helixtrans-66.2-34.8-178.6-64.9171.6000111.5L400 W404 V411 E412 E417 F418 V419 L424 Y435L400-L415 HydrophobicContact CD1-CD1 3.51Å; L400-L415 HydrophobicContact CD1-CD2 3.87Å; L400-L415 HydrophobicContact CD1-CG 4.34Å; W404-L415 HydrophobicContact CH2-CD2 3.66Å; W404-L415 HydrophobicContact CH2-CG 4.38Å; W404-L415 HydrophobicContact CZ3-CD2 3.93Å; W404-L415 HydrophobicContact CZ3-CG 4.16Å; V411-L415 HydrophobicContact CG1-CD1 3.61Å; V411-L415 HydrophobicContact CG1-CG 4.2Å; V411-L415 WeakPolarHBondContact O-CB 3.18Å; V411-L415 WeakPolarHBondContact O-CG 3.48Å; V411-L415 PolarHBondContact O-N 3.24Å; E412-L415 PolarHBondContact O-N 3.44Å; L415-E417 VanDerWaalsContact C-N 3.27Å; L415-E417 PolarHBondContact O-N 3.06Å; L415-F418 HydrophobicContact CD2-CD2 4.19Å; L415-F418 PolarHBondContact O-N 3.31Å; L415-F418 VanDerWaalsContact O-N 3.16Å; L415-V419 WeakPolarHBondContact O-CG2 3.26Å; L415-V419 PolarHBondContact O-N 3.07Å; L415-L424 HydrophobicContact CB-CD2 4.12Å; L415-L424 HydrophobicContact CD2-CD2 3.58Å; L415-L424 HydrophobicContact CG-CD2 4.41Å; L415-Y435 HydrophobicContact CB-CD1 4.01Å; L415-Y435 HydrophobicContact CB-CE1 3.51Å; L415-Y435 HydrophobicContact CB-CE2 4.25Å; L415-Y435 HydrophobicContact CD1-CD1 4.29Å; L415-Y435 HydrophobicContact CD1-CD2 3.57Å; L415-Y435 HydrophobicContact CD1-CE1 4.14Å; L415-Y435 HydrophobicContact CD1-CE2 3.38Å; L415-Y435 HydrophobicContact CD1-CG 4.01Å; L415-Y435 HydrophobicContact CG-CE1 4.4Å; L415-Y435 HydrophobicContact CG-CE2 4.44Å
416Q81.1Confident82.8Confident76 Ų7646.2 Ų46.236%0.35523%0.231SC..Hα-helixtrans-64.1-32.9175.1-172.158.451.500111.6E412 D413 I414 V419 N420E412-Q416 WeakPolarHBondContact O-CB 3.44Å; E412-Q416 PolarHBondContact O-N 3.01Å; D413-Q416 PolarHBondContact O-N 3.45Å; I414-Q416 VanDerWaalsContact C-N 3.29Å; I414-Q416 PolarHBondContact O-N 3.21Å; Q416-V419 PolarHBondContact O-N 3.32Å; Q416-N420 PolarHBondContact NE2-OD1 2.89Å; Q416-N420 WeakPolarHBondContact O-CB 3.46Å; Q416-N420 PolarHBondContact O-N 2.9Å; Q416-N420 PolarHBondContact O-ND2 3.38Å; Q416-N420 PolarHBondContact O-OD1 3.45Å
417E79.6Confident82Confident56 Ų5644.6 Ų44.626%0.26222%0.223SC..Hα-helixtrans-64.3-41.8172.2-170.2173.4156.300112.1F379 D413 I414 L415 V419 N420 K421F379-E417 WeakPolarHBondContact CE2-OE1 3.33Å; F379-E417 WeakPolarHBondContact CE2-OE2 3.01Å; F379-E417 WeakPolarHBondContact CZ-OE2 3.33Å; D413-E417 PolarHBondContact O-N 3.48Å; I414-E417 WeakPolarHBondContact O-CB 3.42Å; I414-E417 PolarHBondContact O-N 3.26Å; I414-E417 VanDerWaalsContact O-N 3.14Å; L415-E417 VanDerWaalsContact C-N 3.27Å; L415-E417 PolarHBondContact O-N 3.06Å; E417-V419 VanDerWaalsContact C-N 3.35Å; E417-N420 PolarHBondContact O-N 3.47Å; E417-K421 WeakPolarHBondContact O-CG 3.27Å; E417-K421 PolarHBondContact O-N 3.03Å; E417-K421 VanDerWaalsContact O-N 3.09Å; E417-K421 WeakPolarHBondContact OE1-CE 3.36Å
418F81.3Confident81.1Confident0 Ų044.9 Ų44.90%022%0.218CC..Hα-helixtrans-64.4-38.9173.8-60.7-35.2000112.4L375 F379 Y383 L386 W404 I414 L415 K421 S422 L423 L424L375-F418 HydrophobicContact CD1-CE1 4.1Å; L375-F418 HydrophobicContact CD2-CD1 4.4Å; L375-F418 HydrophobicContact CD2-CE1 4.24Å; F379-F418 HydrophobicContact CB-CE1 4.04Å; F379-F418 HydrophobicContact CB-CZ 4.2Å; F379-F418 WeakPolarHBondContact O-CZ 3.26Å; Y383-F418 HydrophobicContact CD2-CD1 4.04Å; Y383-F418 HydrophobicContact CD2-CD2 4.12Å; Y383-F418 HydrophobicContact CD2-CE1 4.11Å; Y383-F418 HydrophobicContact CD2-CE2 4.19Å; Y383-F418 HydrophobicContact CD2-CG 4.07Å; Y383-F418 HydrophobicContact CD2-CZ 4.19Å; Y383-F418 HydrophobicContact CG-CE1 4.41Å; Y383-F418 HydrophobicContact CG-CZ 4.47Å; L386-F418 HydrophobicContact CD1-CD2 4.22Å; L386-F418 HydrophobicContact CD1-CE2 4.33Å; W404-F418 HydrophobicContact CH2-CE2 4.46Å; I414-F418 HydrophobicContact CG2-CE2 3.85Å; I414-F418 HydrophobicContact CG2-CZ 4.08Å; I414-F418 PolarHBondContact O-N 3.25Å; L415-F418 HydrophobicContact CD2-CD2 4.19Å; L415-F418 PolarHBondContact O-N 3.31Å; L415-F418 VanDerWaalsContact O-N 3.16Å; F418-K421 CarbonylContact O-C 3.42Å; F418-K421 PolarHBondContact O-N 3.16Å; F418-S422 PolarHBondContact O-N 2.94Å; F418-L423 HydrophobicContact CB-CB 4.46Å; F418-L423 PolarHBondContact O-N 3.33Å; F418-L424 HydrophobicContact CB-CB 3.72Å; F418-L424 HydrophobicContact CB-CD2 4.24Å; F418-L424 HydrophobicContact CD2-CD2 4.47Å; F418-L424 PolarHBondContact O-N 3.17Å
419V79.3Confident79.9Confident19 Ų1947 Ų4712%0.11523%0.228CC..Hα-helixtrans-62.4-43.9173.5173.70000110.9L415 Q416 E417 K421 S422 L424 C426 Y435L415-V419 WeakPolarHBondContact O-CG2 3.26Å; L415-V419 PolarHBondContact O-N 3.07Å; Q416-V419 PolarHBondContact O-N 3.32Å; E417-V419 VanDerWaalsContact C-N 3.35Å; V419-K421 PolarHBondContact O-N 2.94Å; V419-S422 PolarHBondContact O-N 3.32Å; V419-L424 WeakPolarHBondContact CA-O 3.39Å; V419-L424 HydrophobicContact CG2-CB 4.26Å; V419-L424 HydrophobicContact CG2-CG 4.45Å; V419-C426 HydrophobicContact CG2-CB 3.89Å; V419-Y435 HydrophobicContact CG2-CD1 4.33Å; V419-Y435 HydrophobicContact CG2-CE1 4.18Å
420N75.3Confident78.9Confident61 Ų6144.7 Ų44.733%0.32624%0.237SC..Hα-helixtrans-62-30177.8-69.1-19.8000112.3R332 Q416 E417 S422R332-N420 PolarHBondContact NH1-O 3.3Å; R332-N420 PolarHBondContact NH2-O 2.89Å; Q416-N420 PolarHBondContact NE2-OD1 2.89Å; Q416-N420 WeakPolarHBondContact O-CB 3.46Å; Q416-N420 PolarHBondContact O-N 2.9Å; Q416-N420 PolarHBondContact O-ND2 3.38Å; Q416-N420 PolarHBondContact O-OD1 3.45Å; E417-N420 PolarHBondContact O-N 3.47Å; N420-S422 VanDerWaalsContact C-N 3.32Å
421K72.3Confident77.8Confident29 Ų2950.4 Ų50.413%0.12626%0.26CS..THydrogen-bonded Turntrans-87.23.4175.4-68.2175.3-173.6-79.30113.5D333 L375 E417 F418 V419 L423D333-K421 IonicContact OD2-NZ 2.78Å; D333-K421 PolarHBondContact OD2-NZ 3.44Å; L375-K421 HydrophobicContact CD2-CD 3.51Å; E417-K421 WeakPolarHBondContact O-CG 3.27Å; E417-K421 PolarHBondContact O-N 3.03Å; E417-K421 VanDerWaalsContact O-N 3.09Å; E417-K421 WeakPolarHBondContact OE1-CE 3.36Å; F418-K421 CarbonylContact O-C 3.42Å; F418-K421 PolarHBondContact O-N 3.16Å; V419-K421 PolarHBondContact O-N 2.94Å; K421-L423 HydrophobicContact CB-CD1 4.16Å; K421-L423 HydrophobicContact CB-CG 4.17Å; K421-L423 PolarHBondContact O-N 3.23Å
422S73.2Confident76.8Confident13 Ų1351.2 Ų51.29%0.09127%0.266CS..THydrogen-bonded Turntrans58.721.4-175.7-52.30000114.2F418 V419 N420 Q441F418-S422 PolarHBondContact O-N 2.94Å; V419-S422 PolarHBondContact O-N 3.32Å; N420-S422 VanDerWaalsContact C-N 3.32Å; S422-Q441 PolarHBondContact O-NE2 3.49Å
423L78.1Confident76.5Confident0 Ų051.3 Ų51.30%027%0.266CS..SBendtrans-86.6-20.6176.8-72.1176.3000112.1L326 M368 L375 Y383 F418 K421 L437L326-L423 HydrophobicContact CD2-CD2 3.83Å; L326-L423 HydrophobicContact CD2-CG 4.49Å; M368-L423 HydrophobicContact CE-CD2 3.84Å; M368-L423 HydrophobicContact SD-CD2 3.86Å; L375-L423 HydrophobicContact CD1-CD1 4.03Å; L375-L423 HydrophobicContact CD2-CD1 4.17Å; L375-L423 HydrophobicContact CG-CD1 4.39Å; Y383-L423 HydrophobicContact CE2-CB 3.67Å; Y383-L423 HydrophobicContact CE2-CD1 4.36Å; Y383-L423 HydrophobicContact CE2-CG 4.49Å; Y383-L423 PolarHBondContact OH-O 3.17Å; F418-L423 HydrophobicContact CB-CB 4.46Å; F418-L423 PolarHBondContact O-N 3.33Å; K421-L423 HydrophobicContact CB-CD1 4.16Å; K421-L423 HydrophobicContact CB-CG 4.17Å; K421-L423 PolarHBondContact O-N 3.23Å; L423-L437 WeakPolarHBondContact O-CD2 3.25Å
424L82.1Confident76.3Confident2 Ų246.9 Ų46.91%0.0124%0.241CC..SBendtrans-138.3150-179.6-172.267.1000109.8L386 L415 F418 V419 Y435 Y436 L437L386-L424 HydrophobicContact CD1-CD1 4.36Å; L415-L424 HydrophobicContact CB-CD2 4.12Å; L415-L424 HydrophobicContact CD2-CD2 3.58Å; L415-L424 HydrophobicContact CG-CD2 4.41Å; F418-L424 HydrophobicContact CB-CB 3.72Å; F418-L424 HydrophobicContact CB-CD2 4.24Å; F418-L424 HydrophobicContact CD2-CD2 4.47Å; F418-L424 PolarHBondContact O-N 3.17Å; V419-L424 WeakPolarHBondContact CA-O 3.39Å; V419-L424 HydrophobicContact CG2-CB 4.26Å; V419-L424 HydrophobicContact CG2-CG 4.45Å; L424-Y435 HydrophobicContact CD2-CD1 3.59Å; L424-Y435 HydrophobicContact CD2-CE1 4.4Å; L424-Y435 HydrophobicContact CD2-CG 4.1Å; L424-Y435 HydrophobicContact CG-CD1 4.16Å; L424-Y436 WeakPolarHBondContact CD1-O 3.49Å; L424-L437 HydrophobicContact CD1-CD2 3.78Å; L424-L437 HydrophobicContact CD1-CG 3.9Å
425F81.3Confident76.3Confident56 Ų5646.3 Ų46.325%0.24624%0.238CC..EExtended strand (participates in β ladder)trans-111.2150.3173.5-60.4-78.4000110.6L322 Y435 Y436 H438L322-F425 HydrophobicContact CD1-CZ 4.11Å; F425-Y435 VanDerWaalsContact O-CA 3.32Å; F425-Y435 WeakPolarHBondContact O-CA 3.37Å; F425-Y436 HydrophobicContact CB-CD1 4.05Å; F425-Y436 HydrophobicContact CB-CD2 4.14Å; F425-Y436 HydrophobicContact CB-CE1 3.61Å; F425-Y436 HydrophobicContact CB-CE2 3.72Å; F425-Y436 HydrophobicContact CB-CG 4.29Å; F425-Y436 VanDerWaalsContact CB-CZ 3.43Å; F425-Y436 HydrophobicContact CD2-CE2 4.23Å; F425-Y436 HydrophobicContact CG-CE2 4.17Å; F425-Y436 PolarHBondContact N-O 3.37Å; F425-Y436 PolarHBondContact O-N 2.75Å; F425-H438 HydrophobicContact CD2-CB 4.4Å; F425-H438 HydrophobicContact CE2-CB 3.79Å
426C80.6Confident76.4Confident32 Ų3249 Ų4922%0.21625%0.249CC..EExtended strand (participates in β ladder)trans-131.5135.4-177.6-179.20000109.9V419 F433 H434 Y435V419-C426 HydrophobicContact CG2-CB 3.89Å; C426-F433 WeakPolarHBondContact SG-CD1 3.4Å; C426-H434 WeakPolarHBondContact CA-O 2.99Å; C426-Y435 HydrophobicContact CB-CD1 3.82Å; C426-Y435 HydrophobicContact CB-CE1 3.75Å
427D75Confident76.4Confident13 Ų1346 Ų467%0.0724%0.235CC..EExtended strand (participates in β ladder)trans-122.3153.9173-164.811.3000110.3K394 H434 Y436K394-D427 IonicContact NZ-OD2 2.67Å; K394-D427 PolarHBondContact NZ-OD2 3.11Å; D427-H434 PolarHBondContact N-O 3.37Å; D427-H434 PolarHBondContact O-N 2.82Å; D427-Y436 HydrophobicContact CB-CE1 4.42Å
428R70.3Confident76.4Confident141 Ų14145.6 Ų45.653%0.53223%0.233SC..EExtended strand (participates in β ladder)trans-107.6111.1-179.9-64.3-169.1-172.7-160.6-10.6109.7F433R428-F433 HydrophobicContact CG-CD1 3.88Å; R428-F433 HydrophobicContact CG-CE1 3.73Å
429N61.5Low76.1Confident90 Ų9046.2 Ų46.248%0.48124%0.237SC..EExtended strand (participates in β ladder)trans-111.394.5173.8-171.323.5000109.1K431 S432N429-K431 PolarHBondContact O-N 3.42Å; N429-S432 PolarHBondContact N-O 2.9Å; N429-S432 PolarHBondContact O-N 3.45Å
430G66.1Low75.9Confident75 Ų7545.8 Ų45.877%0.77323%0.233SC*.THydrogen-bonded Turntrans65.6-121.9-17500000112.6
431K64.3Low76.1Confident213 Ų21342.9 Ų42.993%0.92622%0.218SC*.THydrogen-bonded Turntrans-86.2-21.7-179.9-79.1-174.6178179.30114N429N429-K431 PolarHBondContact O-N 3.42Å
432S68.6Low76.6Confident18 Ų1841.7 Ų41.713%0.12621%0.213CC..EExtended strand (participates in β ladder)trans-107.1145.3-173.956.10000113.5N429 H434 E478N429-S432 PolarHBondContact N-O 2.9Å; N429-S432 PolarHBondContact O-N 3.45Å; S432-H434 PolarHBondContact O-ND1 3.09Å; S432-E478 WeakPolarHBondContact CB-OE2 3.31Å; S432-E478 PolarHBondContact OG-OE2 3.37Å
433F81Confident76.8Confident46 Ų4643.2 Ų43.220%0.20222%0.22CC..EExtended strand (participates in β ladder)trans-81.8140.2176.3-64.5-74.5000110.7T397 E412 C426 R428 Y435T397-F433 PolarHBondContact N-O 2.84Å; T397-F433 PolarHBondContact OG1-O 3.26Å; T397-F433 VanDerWaalsContact OG1-O 3.13Å; E412-F433 VanDerWaalsContact CD-CD2 3.49Å; E412-F433 HydrophobicContact CG-CD2 4.25Å; E412-F433 WeakPolarHBondContact OE1-CD2 3.48Å; E412-F433 WeakPolarHBondContact OE2-CE2 3.48Å; C426-F433 WeakPolarHBondContact SG-CD1 3.4Å; R428-F433 HydrophobicContact CG-CD1 3.88Å; R428-F433 HydrophobicContact CG-CE1 3.73Å; F433-Y435 HydrophobicContact CB-CD2 4.38Å; F433-Y435 HydrophobicContact CB-CE2 3.59Å
434H81.3Confident76.9Confident28 Ų2843.2 Ų43.213%0.1322%0.22CC..EExtended strand (participates in β ladder)trans-118.9124.3174.7-72.858.6000108.9K394 V395 C426 D427 S432K394-H434 HydrophobicContact CB-CB 4.17Å; V395-H434 CarbonylContact O-C 3.57Å; V395-H434 WeakPolarHBondContact O-CA 3.34Å; C426-H434 WeakPolarHBondContact CA-O 2.99Å; D427-H434 PolarHBondContact N-O 3.37Å; D427-H434 PolarHBondContact O-N 2.82Å; S432-H434 PolarHBondContact O-ND1 3.09Å
435Y86.3Confident77Confident4 Ų443.2 Ų43.22%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-106.6145.7-175.8-62.4-88.8000110.8V395 L415 V419 L424 F425 C426 F433V395-Y435 PolarHBondContact N-O 3.2Å; V395-Y435 PolarHBondContact O-N 3.42Å; L415-Y435 HydrophobicContact CB-CD1 4.01Å; L415-Y435 HydrophobicContact CB-CE1 3.51Å; L415-Y435 HydrophobicContact CB-CE2 4.25Å; L415-Y435 HydrophobicContact CD1-CD1 4.29Å; L415-Y435 HydrophobicContact CD1-CD2 3.57Å; L415-Y435 HydrophobicContact CD1-CE1 4.14Å; L415-Y435 HydrophobicContact CD1-CE2 3.38Å; L415-Y435 HydrophobicContact CD1-CG 4.01Å; L415-Y435 HydrophobicContact CG-CE1 4.4Å; L415-Y435 HydrophobicContact CG-CE2 4.44Å; V419-Y435 HydrophobicContact CG2-CD1 4.33Å; V419-Y435 HydrophobicContact CG2-CE1 4.18Å; L424-Y435 HydrophobicContact CD2-CD1 3.59Å; L424-Y435 HydrophobicContact CD2-CE1 4.4Å; L424-Y435 HydrophobicContact CD2-CG 4.1Å; L424-Y435 HydrophobicContact CG-CD1 4.16Å; F425-Y435 VanDerWaalsContact O-CA 3.32Å; F425-Y435 WeakPolarHBondContact O-CA 3.37Å; C426-Y435 HydrophobicContact CB-CD1 3.82Å; C426-Y435 HydrophobicContact CB-CE1 3.75Å; F433-Y435 HydrophobicContact CB-CD2 4.38Å; F433-Y435 HydrophobicContact CB-CE2 3.59Å
436Y85.1Confident77Confident57 Ų5743.2 Ų43.222%0.22422%0.222CC..EExtended strand (participates in β ladder)trans-152.6155177.267.4-81.4000111.4K394 L424 F425 D427K394-Y436 HydrophobicContact CG-CD1 4.21Å; K394-Y436 HydrophobicContact CG-CG 4.42Å; L424-Y436 WeakPolarHBondContact CD1-O 3.49Å; F425-Y436 HydrophobicContact CB-CD1 4.05Å; F425-Y436 HydrophobicContact CB-CD2 4.14Å; F425-Y436 HydrophobicContact CB-CE1 3.61Å; F425-Y436 HydrophobicContact CB-CE2 3.72Å; F425-Y436 HydrophobicContact CB-CG 4.29Å; F425-Y436 VanDerWaalsContact CB-CZ 3.43Å; F425-Y436 HydrophobicContact CD2-CE2 4.23Å; F425-Y436 HydrophobicContact CG-CE2 4.17Å; F425-Y436 PolarHBondContact N-O 3.37Å; F425-Y436 PolarHBondContact O-N 2.75Å; D427-Y436 HydrophobicContact CB-CE1 4.42Å
437L83Confident77.1Confident14 Ų1444.1 Ų44.17%0.07322%0.223CC..  trans-101.9149.6174.7-72.9166.8000109.9L386 L389 L423 L424 Q441 L442 L445L386-L437 HydrophobicContact CB-CD1 4.17Å; L389-L437 HydrophobicContact CD1-CD1 4.31Å; L423-L437 WeakPolarHBondContact O-CD2 3.25Å; L424-L437 HydrophobicContact CD1-CD2 3.78Å; L424-L437 HydrophobicContact CD1-CG 3.9Å; L437-Q441 HydrophobicContact CD2-CB 4.41Å; L437-L442 HydrophobicContact CB-CB 4.31Å; L437-L442 HydrophobicContact CD1-CD1 4.14Å; L437-L445 HydrophobicContact CD1-CD1 3.93Å
438H79.1Confident77.5Confident46 Ų4647.4 Ų47.421%0.21324%0.237CC..  trans-73.3142.3167.7-175.3-73.9000109.4F425 L440 Q441 L442F425-H438 HydrophobicContact CD2-CB 4.4Å; F425-H438 HydrophobicContact CE2-CB 3.79Å; H438-L440 PolarHBondContact ND1-N 2.78Å; H438-L440 PolarHBondContact O-N 2.89Å; H438-Q441 HydrophobicContact CB-CG 4.23Å; H438-Q441 VanDerWaalsContact N-OE1 3.13Å; H438-Q441 WeakPolarHBondContact O-CA 3.49Å; H438-Q441 WeakPolarHBondContact O-CB 3.34Å; H438-Q441 PolarHBondContact O-N 3.21Å; H438-L442 PolarHBondContact O-N 2.95Å; H438-L442 VanDerWaalsContact O-N 3.1Å
439D73.7Confident78.1Confident14 Ų1441.4 Ų41.48%0.07522%0.216CC..Hα-helixtrans-45.8-46.5-176.5-64.9-17.1000113.9R265 Q441 L442 D443R265-D439 IonicContact CZ-OD2 2.89Å; R265-D439 IonicContact NH2-OD2 3.21Å; R265-D439 PolarHBondContact NH2-OD2 3.34Å; D439-Q441 VanDerWaalsContact C-N 3.3Å; D439-Q441 PolarHBondContact O-N 3.11Å; D439-L442 PolarHBondContact O-N 3.03Å; D439-D443 WeakPolarHBondContact O-CB 3.46Å; D439-D443 PolarHBondContact O-N 3.11Å
440L76.4Confident79.1Confident9 Ų944.4 Ų44.45%0.04722%0.22CC..Hα-helixtrans-63.5-33.9-179.3-58.8176.4000113.1A156 Y361 L364 H438 F444A156-L440 HydrophobicContact CB-CD1 4.08Å; Y361-L440 HydrophobicContact CD1-CD1 4.41Å; Y361-L440 HydrophobicContact CD1-CD2 3.91Å; Y361-L440 HydrophobicContact CE1-CD1 4.02Å; Y361-L440 HydrophobicContact CE1-CD2 3.34Å; Y361-L440 HydrophobicContact CE1-CG 4.32Å; L364-L440 HydrophobicContact CD2-CB 3.49Å; L364-L440 VanDerWaalsContact CD2-CB 3.49Å; L364-L440 HydrophobicContact CD2-CD1 3.58Å; L364-L440 HydrophobicContact CD2-CG 4.12Å; H438-L440 PolarHBondContact ND1-N 2.78Å; H438-L440 PolarHBondContact O-N 2.89Å; L440-F444 WeakPolarHBondContact O-CB 3.49Å; L440-F444 PolarHBondContact O-N 2.86Å; L440-F444 VanDerWaalsContact O-N 3.16Å
441Q79.8Confident80Confident0 Ų048.2 Ų48.20%022%0.223CC..Hα-helixtrans-71.9-40.8175.7-62.3174.6-5000110.6M368 S422 L437 H438 D439 F444 L445M368-Q441 HydrophobicContact CE-CB 3.78Å; M368-Q441 HydrophobicContact CE-CG 3.74Å; M368-Q441 HydrophobicContact SD-CG 3.91Å; S422-Q441 PolarHBondContact O-NE2 3.49Å; L437-Q441 HydrophobicContact CD2-CB 4.41Å; H438-Q441 HydrophobicContact CB-CG 4.23Å; H438-Q441 VanDerWaalsContact N-OE1 3.13Å; H438-Q441 WeakPolarHBondContact O-CA 3.49Å; H438-Q441 WeakPolarHBondContact O-CB 3.34Å; H438-Q441 PolarHBondContact O-N 3.21Å; D439-Q441 VanDerWaalsContact C-N 3.3Å; D439-Q441 PolarHBondContact O-N 3.11Å; Q441-F444 WeakPolarHBondContact O-CB 3.23Å; Q441-F444 PolarHBondContact O-N 3.35Å; Q441-L445 WeakPolarHBondContact O-CG 3.5Å; Q441-L445 PolarHBondContact O-N 3.48Å
442L81.6Confident81.1Confident4 Ų441.7 Ų41.72%0.02120%0.196CC..Hα-helixtrans-68.4-42177.9-176.857.7000111.6L389 K391 L437 H438 D439 F444 L445 I446L389-L442 VanDerWaalsContact O-CD2 3.26Å; L389-L442 WeakPolarHBondContact O-CD2 3.49Å; K391-L442 HydrophobicContact CB-CD2 4.29Å; K391-L442 HydrophobicContact CG-CD2 3.6Å; L437-L442 HydrophobicContact CB-CB 4.31Å; L437-L442 HydrophobicContact CD1-CD1 4.14Å; H438-L442 PolarHBondContact O-N 2.95Å; H438-L442 VanDerWaalsContact O-N 3.1Å; D439-L442 PolarHBondContact O-N 3.03Å; L442-F444 VanDerWaalsContact C-N 3.31Å; L442-F444 PolarHBondContact O-N 2.9Å; L442-L445 PolarHBondContact O-N 3.37Å; L442-L445 VanDerWaalsContact O-N 3.15Å; L442-I446 HydrophobicContact CD1-CD1 4.11Å; L442-I446 HydrophobicContact CD1-CG1 4.23Å; L442-I446 HydrophobicContact CG-CD1 3.89Å; L442-I446 HydrophobicContact CG-CG1 4.44Å; L442-I446 WeakPolarHBondContact O-CB 3.35Å; L442-I446 VanDerWaalsContact O-CG1 3.3Å; L442-I446 WeakPolarHBondContact O-CG1 3.38Å; L442-I446 PolarHBondContact O-N 2.84Å
443D77.3Confident82Confident46 Ų4642.3 Ų42.325%0.24620%0.197CC..Hα-helixtrans-57.8-43.7172.9-81.2-27.1000111.8K391 D439 E447K391-D443 WeakPolarHBondContact CE-OD1 3.4Å; K391-D443 IonicContact NZ-OD1 3.29Å; K391-D443 PolarHBondContact NZ-OD1 3.48Å; K391-D443 IonicContact NZ-OD2 2.83Å; D439-D443 WeakPolarHBondContact O-CB 3.46Å; D439-D443 PolarHBondContact O-N 3.11Å; D443-E447 WeakPolarHBondContact O-CB 3.44Å; D443-E447 PolarHBondContact O-N 3.06Å
444F81.8Confident82.4Confident0 Ų045.1 Ų45.10%021%0.211CC..Hα-helixtrans-59.8-45.6174.5169.5-94.3000111.7F350 D365 M368 V372 L440 Q441 L442 E447 K448F350-F444 HydrophobicContact CD1-CE2 4.47Å; F350-F444 HydrophobicContact CD2-CE2 4.25Å; F350-F444 HydrophobicContact CE1-CD2 4.09Å; F350-F444 HydrophobicContact CE1-CE2 4.14Å; F350-F444 AromaticContact CE2-CE2 3.93Å; F350-F444 HydrophobicContact CE2-CE2 3.93Å; F350-F444 HydrophobicContact CZ-CD2 4.02Å; F350-F444 AromaticContact CZ-CE2 3.86Å; F350-F444 HydrophobicContact CZ-CE2 3.86Å; D365-F444 HydrophobicContact CB-CD2 4.03Å; D365-F444 HydrophobicContact CB-CE2 4.28Å; D365-F444 VanDerWaalsContact O-CE2 3.3Å; D365-F444 WeakPolarHBondContact O-CE2 3.39Å; M368-F444 HydrophobicContact CB-CD1 3.77Å; M368-F444 HydrophobicContact CB-CD2 4.14Å; M368-F444 HydrophobicContact CB-CE1 3.7Å; M368-F444 HydrophobicContact CB-CE2 4.08Å; M368-F444 HydrophobicContact CB-CG 4Å; M368-F444 HydrophobicContact CB-CZ 3.86Å; M368-F444 HydrophobicContact CE-CD1 4.13Å; M368-F444 HydrophobicContact CG-CD1 4.43Å; V372-F444 HydrophobicContact CG2-CE1 4.47Å; L440-F444 WeakPolarHBondContact O-CB 3.49Å; L440-F444 PolarHBondContact O-N 2.86Å; L440-F444 VanDerWaalsContact O-N 3.16Å; Q441-F444 WeakPolarHBondContact O-CB 3.23Å; Q441-F444 PolarHBondContact O-N 3.35Å; L442-F444 VanDerWaalsContact C-N 3.31Å; L442-F444 PolarHBondContact O-N 2.9Å; F444-E447 PolarHBondContact O-N 3.3Å; F444-K448 HydrophobicContact CE1-CD 4.13Å; F444-K448 HydrophobicContact CZ-CD 4.1Å; F444-K448 VanDerWaalsContact O-CB 3.32Å; F444-K448 WeakPolarHBondContact O-CB 3.4Å; F444-K448 PolarHBondContact O-N 3.12Å
445L83.6Confident82.9Confident2 Ų250.3 Ų50.31%0.0124%0.235CC..Hα-helixtrans-66.6-43179.6-74.6170.3000112.8Y383 L437 Q441 L442 E447 K448 N449Y383-L445 HydrophobicContact CD1-CD2 4.03Å; Y383-L445 HydrophobicContact CE1-CD1 3.99Å; Y383-L445 HydrophobicContact CE1-CD2 3.69Å; Y383-L445 HydrophobicContact CE1-CG 4.29Å; L437-L445 HydrophobicContact CD1-CD1 3.93Å; Q441-L445 WeakPolarHBondContact O-CG 3.5Å; Q441-L445 PolarHBondContact O-N 3.48Å; L442-L445 PolarHBondContact O-N 3.37Å; L442-L445 VanDerWaalsContact O-N 3.15Å; L445-E447 VanDerWaalsContact C-N 3.32Å; L445-E447 PolarHBondContact O-N 3.06Å; L445-K448 PolarHBondContact O-N 3.49Å; L445-N449 WeakPolarHBondContact O-CB 3.26Å; L445-N449 PolarHBondContact O-N 2.95Å
446I81Confident83.1Confident56 Ų5650.8 Ų50.829%0.28724%0.238SC..Hα-helixtrans-61.5-42.8176.9-71.3170.2000110.3L442 R450 L453L442-I446 HydrophobicContact CD1-CD1 4.11Å; L442-I446 HydrophobicContact CD1-CG1 4.23Å; L442-I446 HydrophobicContact CG-CD1 3.89Å; L442-I446 HydrophobicContact CG-CG1 4.44Å; L442-I446 WeakPolarHBondContact O-CB 3.35Å; L442-I446 VanDerWaalsContact O-CG1 3.3Å; L442-I446 WeakPolarHBondContact O-CG1 3.38Å; L442-I446 PolarHBondContact O-N 2.84Å; I446-R450 WeakPolarHBondContact O-CA 3.24Å; I446-R450 WeakPolarHBondContact O-CB 3.06Å; I446-R450 PolarHBondContact O-N 2.93Å; I446-R450 VanDerWaalsContact O-N 3.1Å; I446-L453 HydrophobicContact CG2-CD1 3.98Å
447E81.6Confident83.5Confident51 Ų5148.6 Ų48.624%0.23823%0.23CC..Hα-helixtrans-69.4-41178.7-169.9162-164.600112R352 I353 D443 F444 L445R352-E447 WeakPolarHBondContact CA-OE1 3.46Å; R352-E447 VanDerWaalsContact CB-OE1 3.27Å; R352-E447 WeakPolarHBondContact CB-OE1 3.48Å; R352-E447 WeakPolarHBondContact CD-OE2 3.33Å; R352-E447 WeakPolarHBondContact CG-OE2 3.29Å; R352-E447 IonicContact NE-OE2 3.71Å; I353-E447 PolarHBondContact N-OE1 3.4Å; D443-E447 WeakPolarHBondContact O-CB 3.44Å; D443-E447 PolarHBondContact O-N 3.06Å; F444-E447 PolarHBondContact O-N 3.3Å; L445-E447 VanDerWaalsContact C-N 3.32Å; L445-E447 PolarHBondContact O-N 3.06Å
448K83.7Confident83.9Confident81 Ų8153 Ų5335%0.35225%0.249SC..Hα-helixtrans-64.1-42.4176.9-173.1177.4-178.5174.40112.5F444 L445F444-K448 HydrophobicContact CE1-CD 4.13Å; F444-K448 HydrophobicContact CZ-CD 4.1Å; F444-K448 VanDerWaalsContact O-CB 3.32Å; F444-K448 WeakPolarHBondContact O-CB 3.4Å; F444-K448 PolarHBondContact O-N 3.12Å; L445-K448 PolarHBondContact O-N 3.49Å
449N84Confident84.6Confident16 Ų1653.6 Ų53.69%0.08625%0.253CS..THydrogen-bonded Turntrans-102.714.5-171.2-62-31.2000113.8L445 N451 Q452 L453L445-N449 WeakPolarHBondContact O-CB 3.26Å; L445-N449 PolarHBondContact O-N 2.95Å; N449-N451 PolarHBondContact O-N 2.86Å; N449-Q452 PolarHBondContact O-N 2.85Å; N449-L453 PolarHBondContact O-N 2.74Å
450R82.1Confident85.4Confident152 Ų15253 Ų5357%0.57425%0.25SC*.THydrogen-bonded Turntrans-49.3-38.5-170.8-169.4175.1178.7-176.7-3115.3I446 Q452I446-R450 WeakPolarHBondContact O-CA 3.24Å; I446-R450 WeakPolarHBondContact O-CB 3.06Å; I446-R450 PolarHBondContact O-N 2.93Å; I446-R450 VanDerWaalsContact O-N 3.1Å; R450-Q452 VanDerWaalsContact C-N 3.29Å; R450-Q452 PolarHBondContact O-N 2.85Å
451N85.5Confident86.1Confident156 Ų15652.6 Ų52.683%0.83425%0.248SC*.THydrogen-bonded Turntrans-73.9-19.9-178.8-63.6-14.5000113.3N449N449-N451 PolarHBondContact O-N 2.86Å
452Q86.9Confident86.7Confident76 Ų7656 Ų5636%0.35527%0.266SS..THydrogen-bonded Turntrans-106.9-9.1-174.8-68.8169.8-1200112.6K384 N449 R450 Q454 E455 L456K384-Q452 VanDerWaalsContact NZ-CD 3.34Å; N449-Q452 PolarHBondContact O-N 2.85Å; R450-Q452 VanDerWaalsContact C-N 3.29Å; R450-Q452 PolarHBondContact O-N 2.85Å; Q452-Q454 VanDerWaalsContact C-N 3.26Å; Q452-Q454 PolarHBondContact O-N 3.45Å; Q452-E455 WeakPolarHBondContact O-CB 3.47Å; Q452-E455 PolarHBondContact O-N 2.96Å; Q452-L456 WeakPolarHBondContact O-CG 3.14Å; Q452-L456 PolarHBondContact O-N 3.27Å
453L86.8Confident87.1Confident30 Ų3057.5 Ų57.516%0.15727%0.273CS..Hα-helixtrans-52.9-43.2-178.7-71.2173.3000112.5I446 N449 E455 L456 H457I446-L453 HydrophobicContact CG2-CD1 3.98Å; N449-L453 PolarHBondContact O-N 2.74Å; L453-E455 VanDerWaalsContact C-N 3.3Å; L453-E455 PolarHBondContact O-N 3.25Å; L453-L456 PolarHBondContact O-N 3.28Å; L453-H457 PolarHBondContact O-CD2 3.31Å; L453-H457 PolarHBondContact O-N 3.24Å
454Q90.4Very high87.7Confident105 Ų10556 Ų5649%0.49126%0.264SS..Hα-helixtrans-61.8-38.3179.6-167-176.5-9.400112.2Q452 K458 A494Q452-Q454 VanDerWaalsContact C-N 3.26Å; Q452-Q454 PolarHBondContact O-N 3.45Å; Q454-K458 WeakPolarHBondContact O-CB 3.43Å; Q454-K458 PolarHBondContact O-N 2.65Å; Q454-K458 VanDerWaalsContact O-N 3.08Å; Q454-A494 WeakPolarHBondContact CG-O 3.46Å; Q454-A494 PolarHBondContact NE2-O 3.19Å
455E90.9Very high88Confident138 Ų13858.7 Ų58.765%0.64528%0.275SS*.Hα-helixtrans-70.7-38.8177.2-65.5-177.4161.100111.8Q452 L453 K458 N459Q452-E455 WeakPolarHBondContact O-CB 3.47Å; Q452-E455 PolarHBondContact O-N 2.96Å; L453-E455 VanDerWaalsContact C-N 3.3Å; L453-E455 PolarHBondContact O-N 3.25Å; E455-K458 WeakPolarHBondContact O-CB 3.41Å; E455-K458 PolarHBondContact O-N 3.31Å; E455-N459 PolarHBondContact O-N 3.04Å
456L91Very high88.1Confident13 Ų1364.2 Ų64.27%0.06830%0.3CS..Hα-helixtrans-65.5-43.7176.8-63.9177.5000111.7K384 D385 S387 I388 Q452 L453 K458 N459 I460K384-L456 HydrophobicContact CG-CD1 4.15Å; D385-L456 VanDerWaalsContact OD1-CD2 3.26Å; D385-L456 WeakPolarHBondContact OD1-CD2 3.38Å; S387-L456 WeakPolarHBondContact OG-CD1 3.5Å; I388-L456 HydrophobicContact CG2-CB 3.43Å; I388-L456 VanDerWaalsContact CG2-CB 3.43Å; I388-L456 HydrophobicContact CG2-CD1 4.4Å; Q452-L456 WeakPolarHBondContact O-CG 3.14Å; Q452-L456 PolarHBondContact O-N 3.27Å; L453-L456 PolarHBondContact O-N 3.28Å; L456-K458 VanDerWaalsContact C-N 3.27Å; L456-K458 PolarHBondContact O-N 2.95Å; L456-N459 WeakPolarHBondContact O-CB 3.26Å; L456-N459 PolarHBondContact O-N 3.42Å; L456-N459 VanDerWaalsContact O-N 3.14Å; L456-I460 PolarHBondContact O-N 3.2Å
457H93Very high88.2Confident11 Ų1164.5 Ų64.55%0.05131%0.306CS..Hα-helixtrans-60.1-38.1172.1-81.6-71.2000112.1L453 N459 I460 V461 Y489 H490 A494L453-H457 PolarHBondContact O-CD2 3.31Å; L453-H457 PolarHBondContact O-N 3.24Å; H457-N459 VanDerWaalsContact C-N 3.34Å; H457-I460 WeakPolarHBondContact O-CG2 3.44Å; H457-V461 WeakPolarHBondContact O-CG2 3.49Å; H457-V461 PolarHBondContact O-N 2.88Å; H457-Y489 AromaticContact CE1-CE1 3.71Å; H457-H490 AromaticContact CE1-ND1 3.54Å; H457-H490 AromaticContact ND1-CG 3.97Å; H457-H490 AromaticContact ND1-ND1 3.23Å; H457-H490 PolarHBondContact ND1-ND1 2.92Å; H457-A494 HydrophobicContact CB-CB 3.79Å
458K92.8Very high88.1Confident108 Ų10863.5 Ų63.547%0.4730%0.3SS..Hα-helixtrans-66.4-36.4175.3-170.2173.7-175.41790112.1Q454 E455 L456 N462 A494 M496Q454-K458 WeakPolarHBondContact O-CB 3.43Å; Q454-K458 PolarHBondContact O-N 2.65Å; Q454-K458 VanDerWaalsContact O-N 3.08Å; E455-K458 WeakPolarHBondContact O-CB 3.41Å; E455-K458 PolarHBondContact O-N 3.31Å; L456-K458 VanDerWaalsContact C-N 3.27Å; L456-K458 PolarHBondContact O-N 2.95Å; K458-N462 PolarHBondContact O-N 2.52Å; K458-N462 VanDerWaalsContact O-N 3.09Å; K458-N462 PolarHBondContact O-ND2 2.88Å; K458-A494 HydrophobicContact CB-CB 4.14Å; K458-M496 HydrophobicContact CB-SD 4.36Å; K458-M496 HydrophobicContact CG-CE 4.35Å; K458-M496 HydrophobicContact CG-SD 3.84Å
459N92Very high87.4Confident57 Ų5767.6 Ų67.631%0.30532%0.318SS..Hα-helixtrans-62.6-51.8178.2-171.521.6000111.7E455 L456 H457 V461 N462 Q463E455-N459 PolarHBondContact O-N 3.04Å; L456-N459 WeakPolarHBondContact O-CB 3.26Å; L456-N459 PolarHBondContact O-N 3.42Å; L456-N459 VanDerWaalsContact O-N 3.14Å; H457-N459 VanDerWaalsContact C-N 3.34Å; N459-V461 VanDerWaalsContact C-N 3.3Å; N459-V461 PolarHBondContact O-N 3.45Å; N459-N462 PolarHBondContact O-N 3.5Å; N459-N462 VanDerWaalsContact O-N 3.11Å; N459-Q463 WeakPolarHBondContact O-CG 3.44Å; N459-Q463 PolarHBondContact O-N 3.31Å
460I91.9Very high86.2Confident2 Ų274.5 Ų74.51%0.0135%0.354CS..Hα-helixtrans-60.3-39.7-179.6-170.7165.1000112.2I388 V399 L403 L456 H457 N462 Q463 Y464 W483 H490I388-I460 HydrophobicContact CD1-CB 3.94Å; I388-I460 HydrophobicContact CD1-CD1 3.74Å; I388-I460 HydrophobicContact CD1-CG1 4.42Å; I388-I460 HydrophobicContact CD1-CG2 4Å; V399-I460 HydrophobicContact CG1-CD1 4.42Å; L403-I460 HydrophobicContact CD1-CB 3.77Å; L403-I460 HydrophobicContact CD1-CD1 4.35Å; L403-I460 HydrophobicContact CD1-CG1 4.06Å; L456-I460 PolarHBondContact O-N 3.2Å; H457-I460 WeakPolarHBondContact O-CG2 3.44Å; I460-N462 VanDerWaalsContact C-N 3.35Å; I460-N462 PolarHBondContact O-N 3.15Å; I460-Q463 PolarHBondContact O-N 3.33Å; I460-Y464 WeakPolarHBondContact O-CB 3.33Å; I460-Y464 PolarHBondContact O-N 3.5Å; I460-W483 HydrophobicContact CD1-CH2 3.94Å; I460-W483 HydrophobicContact CD1-CZ3 4.3Å; I460-W483 HydrophobicContact CG1-CH2 3.8Å; I460-W483 HydrophobicContact CG1-CZ3 4.2Å; I460-H490 HydrophobicContact CG2-CB 4.03Å
461V91.2Very high85.2Confident1 Ų172.6 Ų72.61%0.00636%0.355CS..Hα-helixtrans-65.2-39.3177.4173.80000111.3H457 N459 K465 H490 M491 M496H457-V461 WeakPolarHBondContact O-CG2 3.49Å; H457-V461 PolarHBondContact O-N 2.88Å; N459-V461 VanDerWaalsContact C-N 3.3Å; N459-V461 PolarHBondContact O-N 3.45Å; V461-K465 WeakPolarHBondContact O-CG 3.46Å; V461-K465 PolarHBondContact O-N 2.94Å; V461-H490 HydrophobicContact CG2-CB 3.93Å; V461-M491 HydrophobicContact CG1-CE 4.1Å; V461-M491 HydrophobicContact CG1-CG 4.02Å; V461-M491 HydrophobicContact CG2-CG 3.88Å; V461-M496 HydrophobicContact CB-SD 4.08Å; V461-M496 HydrophobicContact CG1-CE 4.23Å; V461-M496 HydrophobicContact CG1-SD 3.87Å
462N91.4Very high84.6Confident70 Ų7068.1 Ų68.137%0.37433%0.33SS..Hα-helixtrans-68.1-40.3177.1-71.3-24.8000112.1K458 N459 I460 K465 K466K458-N462 PolarHBondContact O-N 2.52Å; K458-N462 VanDerWaalsContact O-N 3.09Å; K458-N462 PolarHBondContact O-ND2 2.88Å; N459-N462 PolarHBondContact O-N 3.5Å; N459-N462 VanDerWaalsContact O-N 3.11Å; I460-N462 VanDerWaalsContact C-N 3.35Å; I460-N462 PolarHBondContact O-N 3.15Å; N462-K465 PolarHBondContact O-N 3.49Å; N462-K466 PolarHBondContact O-N 2.88Å
463Q90.1Very high84Confident37 Ų3764.6 Ų64.617%0.17331%0.314CS..Hα-helixtrans-66.2-41.2175.8-67.9-61.3-4.600112.2I402 N459 I460 K465 K466 C467I402-Q463 HydrophobicContact CG2-CB 4.11Å; I402-Q463 VanDerWaalsContact O-CB 3.3Å; I402-Q463 WeakPolarHBondContact O-CB 3.42Å; N459-Q463 WeakPolarHBondContact O-CG 3.44Å; N459-Q463 PolarHBondContact O-N 3.31Å; I460-Q463 PolarHBondContact O-N 3.33Å; Q463-K465 VanDerWaalsContact C-N 3.35Å; Q463-K465 PolarHBondContact O-N 3.2Å; Q463-K466 WeakPolarHBondContact O-CB 3.43Å; Q463-K466 PolarHBondContact O-N 3.34Å; Q463-K466 VanDerWaalsContact O-N 3.16Å; Q463-C467 PolarHBondContact O-N 3.37Å; Q463-C467 PolarHBondContact O-SG 3.37Å; Q463-C467 VanDerWaalsContact O-SG 3.34Å
464Y89.6Confident83.6Confident15 Ų1566.9 Ų66.96%0.05933%0.328CS..Hα-helixtrans-55.3-49.9172.2175-93.6000111.3I460 K466 C467 Y468 P473 W483 L487I460-Y464 WeakPolarHBondContact O-CB 3.33Å; I460-Y464 PolarHBondContact O-N 3.5Å; Y464-K466 VanDerWaalsContact C-N 3.3Å; Y464-K466 PolarHBondContact O-N 3.17Å; Y464-C467 PolarHBondContact O-N 3.18Å; Y464-Y468 AromaticContact CD2-CD2 3.47Å; Y464-Y468 HydrophobicContact CD2-CD2 3.47Å; Y464-Y468 VanDerWaalsContact CD2-CD2 3.47Å; Y464-Y468 AromaticContact CD2-CE2 3.74Å; Y464-Y468 HydrophobicContact CD2-CE2 3.74Å; Y464-Y468 HydrophobicContact CD2-CG 4.45Å; Y464-Y468 AromaticContact CE2-CD2 3.32Å; Y464-Y468 HydrophobicContact CE2-CD2 3.32Å; Y464-Y468 AromaticContact CE2-CE2 3.58Å; Y464-Y468 HydrophobicContact CE2-CE2 3.58Å; Y464-Y468 AromaticContact CE2-CG 3.97Å; Y464-Y468 HydrophobicContact CE2-CG 3.97Å; Y464-Y468 HydrophobicContact CG-CD2 4.19Å; Y464-Y468 AromaticContact CZ-CD2 3.93Å; Y464-Y468 PolarHBondContact O-N 3.04Å; Y464-P473 HydrophobicContact CE2-CG 4.37Å; Y464-P473 WeakPolarHBondContact OH-CD 3.24Å; Y464-P473 WeakPolarHBondContact OH-CG 3.25Å; Y464-W483 AromaticContact CD2-CD2 3.49Å; Y464-W483 HydrophobicContact CD2-CD2 3.49Å; Y464-W483 VanDerWaalsContact CD2-CD2 3.49Å; Y464-W483 AromaticContact CD2-CE2 3.61Å; Y464-W483 AromaticContact CD2-CE3 3.58Å; Y464-W483 HydrophobicContact CD2-CE3 3.58Å; Y464-W483 HydrophobicContact CD2-CG 4.1Å; Y464-W483 AromaticContact CD2-CH2 3.91Å; Y464-W483 HydrophobicContact CD2-CH2 3.91Å; Y464-W483 AromaticContact CD2-CZ2 3.83Å; Y464-W483 HydrophobicContact CD2-CZ2 3.83Å; Y464-W483 AromaticContact CD2-CZ3 3.79Å; Y464-W483 HydrophobicContact CD2-CZ3 3.79Å; Y464-W483 HydrophobicContact CE2-CB 4.16Å; Y464-W483 AromaticContact CE2-CD2 3.59Å; Y464-W483 HydrophobicContact CE2-CD2 3.59Å; Y464-W483 AromaticContact CE2-CE2 3.98Å; Y464-W483 AromaticContact CE2-CE3 3.93Å; Y464-W483 HydrophobicContact CE2-CE3 3.93Å; Y464-W483 AromaticContact CE2-CG 3.68Å; Y464-W483 HydrophobicContact CE2-CG 3.68Å; Y464-W483 HydrophobicContact CG-CE3 4.31Å; Y464-W483 HydrophobicContact CG-CH2 4.43Å; Y464-W483 HydrophobicContact CG-CZ3 4.22Å; Y464-L487 HydrophobicContact CD1-CD1 3.85Å; Y464-L487 HydrophobicContact CD1-CD2 4.36Å; Y464-L487 HydrophobicContact CD2-CD1 4.5Å; Y464-L487 HydrophobicContact CE1-CD1 4.04Å; Y464-L487 HydrophobicContact CE1-CD2 3.7Å; Y464-L487 HydrophobicContact CG-CD1 4.1Å
465K87.7Confident82.7Confident55 Ų5565.8 Ų65.824%0.23933%0.33CS..Hα-helixtrans-60.3-37.6177.2-73.6175-176.1171.30112.8V461 N462 Q463 K469 E499V461-K465 WeakPolarHBondContact O-CG 3.46Å; V461-K465 PolarHBondContact O-N 2.94Å; N462-K465 PolarHBondContact O-N 3.49Å; Q463-K465 VanDerWaalsContact C-N 3.35Å; Q463-K465 PolarHBondContact O-N 3.2Å; K465-K469 VanDerWaalsContact O-CA 3.3Å; K465-K469 WeakPolarHBondContact O-CA 3.32Å; K465-K469 PolarHBondContact O-N 3.48Å; K465-E499 IonicContact NZ-OE1 2.79Å; K465-E499 PolarHBondContact NZ-OE1 3.47Å; K465-E499 VanDerWaalsContact NZ-OE1 3.09Å
466K87.4Confident81.9Confident119 Ų11964.3 Ų64.352%0.51734%0.336SS..Hα-helixtrans-64.9-43.5177.7-173.4-172.1175.1-165.90111.5D405 N462 Q463 Y464D405-K466 IonicContact OD2-NZ 2.71Å; D405-K466 PolarHBondContact OD2-NZ 3.25Å; N462-K466 PolarHBondContact O-N 2.88Å; Q463-K466 WeakPolarHBondContact O-CB 3.43Å; Q463-K466 PolarHBondContact O-N 3.34Å; Q463-K466 VanDerWaalsContact O-N 3.16Å; Y464-K466 VanDerWaalsContact C-N 3.3Å; Y464-K466 PolarHBondContact O-N 3.17Å
467C83.1Confident81.3Confident61 Ų6167.6 Ų67.641%0.41235%0.35SS..Hα-helixtrans-72.9-47.7-178.2-66.60000112.3I402 Q463 Y464I402-C467 HydrophobicContact CG2-CB 4.48Å; Q463-C467 PolarHBondContact O-N 3.37Å; Q463-C467 PolarHBondContact O-SG 3.37Å; Q463-C467 VanDerWaalsContact O-SG 3.34Å; Y464-C467 PolarHBondContact O-N 3.18Å
468Y79.8Confident80.6Confident31 Ų3172.4 Ų72.412%0.12237%0.373CS..Hα-helixtrans-90.3-10.7-174.3-73-85.1000114.1I402 Y464 L470 N471 P473 Q477 D479 W483I402-Y468 HydrophobicContact CD1-CE2 3.79Å; Y464-Y468 AromaticContact CD2-CD2 3.47Å; Y464-Y468 HydrophobicContact CD2-CD2 3.47Å; Y464-Y468 VanDerWaalsContact CD2-CD2 3.47Å; Y464-Y468 AromaticContact CD2-CE2 3.74Å; Y464-Y468 HydrophobicContact CD2-CE2 3.74Å; Y464-Y468 HydrophobicContact CD2-CG 4.45Å; Y464-Y468 AromaticContact CE2-CD2 3.32Å; Y464-Y468 HydrophobicContact CE2-CD2 3.32Å; Y464-Y468 AromaticContact CE2-CE2 3.58Å; Y464-Y468 HydrophobicContact CE2-CE2 3.58Å; Y464-Y468 AromaticContact CE2-CG 3.97Å; Y464-Y468 HydrophobicContact CE2-CG 3.97Å; Y464-Y468 HydrophobicContact CG-CD2 4.19Å; Y464-Y468 AromaticContact CZ-CD2 3.93Å; Y464-Y468 PolarHBondContact O-N 3.04Å; Y468-L470 VanDerWaalsContact C-N 3.27Å; Y468-L470 PolarHBondContact O-N 3.38Å; Y468-N471 WeakPolarHBondContact CB-O 3.26Å; Y468-N471 WeakPolarHBondContact O-CA 3.29Å; Y468-N471 VanDerWaalsContact O-CB 3.24Å; Y468-N471 WeakPolarHBondContact O-CB 3.44Å; Y468-N471 PolarHBondContact O-N 2.89Å; Y468-P473 HydrophobicContact CE1-CB 4.39Å; Y468-Q477 PolarHBondContact OH-OE1 2.93Å; Y468-D479 PolarHBondContact OH-OD1 2.84Å; Y468-D479 PolarHBondContact OH-OD2 3.2Å; Y468-W483 AromaticContact CE2-NE1 3.98Å
469K67.3Low80.2Confident166 Ų16667.4 Ų67.472%0.72235%0.351SS*.THydrogen-bonded Turntrans49.242.7177.2-60.6-178.8-179.6174.90113.8K465 N471K465-K469 VanDerWaalsContact O-CA 3.3Å; K465-K469 WeakPolarHBondContact O-CA 3.32Å; K465-K469 PolarHBondContact O-N 3.48Å; K469-N471 PolarHBondContact O-N 2.97Å
470L59Low79.8Confident161 Ų16164.9 Ų64.984%0.84334%0.338SS*.THydrogen-bonded Turntrans71.20.5-174.3-61.5148.6000115.7Y468Y468-L470 VanDerWaalsContact C-N 3.27Å; Y468-L470 PolarHBondContact O-N 3.38Å
471N61.6Low79.3Confident113 Ų11368 Ų6860%0.60435%0.353SS*.PPolyproline II helixtrans-80.3155.2174.2-62.9-17.2000111.5Y468 K469Y468-N471 WeakPolarHBondContact CB-O 3.26Å; Y468-N471 WeakPolarHBondContact O-CA 3.29Å; Y468-N471 VanDerWaalsContact O-CB 3.24Å; Y468-N471 WeakPolarHBondContact O-CB 3.44Å; Y468-N471 PolarHBondContact O-N 2.89Å; K469-N471 PolarHBondContact O-N 2.97Å
472M72.8Confident79.1Confident62 Ų6268.4 Ų68.431%0.30536%0.355SS..PPolyproline II helixtrans-78.6148.9-179.1-60.4-69.9-106.700111.4V474 W509 A512M472-V474 PolarHBondContact O-N 2.96Å; M472-W509 HydrophobicContact CE-CB 3.84Å; M472-W509 HydrophobicContact CE-CD2 4.02Å; M472-W509 HydrophobicContact CE-CE3 3.24Å; M472-W509 HydrophobicContact CE-CG 4.32Å; M472-W509 HydrophobicContact CE-CZ3 4.04Å; M472-W509 HydrophobicContact SD-CE3 3.62Å; M472-W509 HydrophobicContact SD-CZ3 4.06Å; M472-A512 HydrophobicContact CE-CB 3.91Å
473P75.3Confident79Confident2 Ų265.1 Ų65.11%0.01334%0.337CS..PPolyproline II helixtrans-62.3135.3172.9-16.129.8000110.3Y464 Y468 W483 Y484Y464-P473 HydrophobicContact CE2-CG 4.37Å; Y464-P473 WeakPolarHBondContact OH-CD 3.24Å; Y464-P473 WeakPolarHBondContact OH-CG 3.25Å; Y468-P473 HydrophobicContact CE1-CB 4.39Å; P473-W483 HydrophobicContact CG-CB 3.83Å; P473-W483 HydrophobicContact CG-CG 4.44Å; P473-Y484 HydrophobicContact CB-CE2 4.22Å; P473-Y484 HydrophobicContact CG-CE2 4.44Å; P473-Y484 PolarHBondContact O-OH 3.38Å
474V77.2Confident78.8Confident77 Ų7763.7 Ų63.747%0.46733%0.33SS..PPolyproline II helixtrans-80.8131.7176.6-175.40000108.7M472 S476 Q477 S480M472-V474 PolarHBondContact O-N 2.96Å; V474-S476 WeakPolarHBondContact CG1-OG 3.4Å; V474-S476 PolarHBondContact O-N 3.29Å; V474-Q477 HydrophobicContact CB-CG 4.32Å; V474-Q477 WeakPolarHBondContact O-CB 3.45Å; V474-Q477 PolarHBondContact O-N 3.18Å; V474-S480 WeakPolarHBondContact O-CB 3.47Å
475P72.4Confident78.5Confident82 Ų8263.3 Ų63.353%0.53233%0.33SS..THydrogen-bonded Turntrans-56.7-23-176.4-28.235.2000115.3Q477 S480 L516P475-Q477 VanDerWaalsContact C-N 3.26Å; P475-Q477 PolarHBondContact O-N 3.5Å; P475-S480 PolarHBondContact O-OG 3.09Å; P475-L516 HydrophobicContact CB-CD1 4.38Å
476S72.4Confident78.5Confident108 Ų10862.6 Ų62.676%0.75533%0.326SS*.THydrogen-bonded Turntrans-75.1-10.1177.565.90000114.2V474V474-S476 WeakPolarHBondContact CG1-OG 3.4Å; V474-S476 PolarHBondContact O-N 3.29Å
477Q80.4Confident78.7Confident81 Ų8157 Ų5738%0.37930%0.302SS..SBendtrans-84.6145.3179-65.4-178.3-27.600111.3Y468 V474 P475 D479 S480Y468-Q477 PolarHBondContact OH-OE1 2.93Å; V474-Q477 HydrophobicContact CB-CG 4.32Å; V474-Q477 WeakPolarHBondContact O-CB 3.45Å; V474-Q477 PolarHBondContact O-N 3.18Å; P475-Q477 VanDerWaalsContact C-N 3.26Å; P475-Q477 PolarHBondContact O-N 3.5Å; Q477-D479 VanDerWaalsContact C-N 3.26Å; Q477-D479 WeakPolarHBondContact CB-OD1 3.49Å; Q477-D479 PolarHBondContact O-N 2.71Å; Q477-S480 WeakPolarHBondContact O-CB 3.25Å; Q477-S480 PolarHBondContact O-N 2.95Å; Q477-S480 PolarHBondContact O-OG 3.3Å
478E77.4Confident78.9Confident113 Ų11354 Ų5453%0.52828%0.282SS..THydrogen-bonded Turntrans-65.5-25.7-175.4-60.8-174.4-17700114S432S432-E478 WeakPolarHBondContact CB-OE2 3.31Å; S432-E478 PolarHBondContact OG-OE2 3.37Å
479D84.1Confident79.4Confident2 Ų256 Ų561%0.01129%0.29CS..THydrogen-bonded Turntrans-94.8-5.8-179.857.9-15.2000114.2P396 K398 V399 I402 Y468 Q477 M481 Y482 W483P396-D479 HydrophobicContact CG-CB 4.41Å; K398-D479 HydrophobicContact CB-CB 4.17Å; K398-D479 HydrophobicContact CG-CB 4.31Å; V399-D479 HydrophobicContact CG2-CB 3.73Å; I402-D479 VanDerWaalsContact CD1-OD2 3.25Å; I402-D479 WeakPolarHBondContact CD1-OD2 3.22Å; Y468-D479 PolarHBondContact OH-OD1 2.84Å; Y468-D479 PolarHBondContact OH-OD2 3.2Å; Q477-D479 VanDerWaalsContact C-N 3.26Å; Q477-D479 WeakPolarHBondContact CB-OD1 3.49Å; Q477-D479 PolarHBondContact O-N 2.71Å; D479-M481 PolarHBondContact O-N 3.42Å; D479-Y482 WeakPolarHBondContact O-CB 3.31Å; D479-Y482 PolarHBondContact O-N 3.38Å; D479-W483 PolarHBondContact O-N 2.85Å; D479-W483 VanDerWaalsContact O-N 3.09Å; D479-W483 PolarHBondContact OD2-NE1 3.03Å; D479-W483 VanDerWaalsContact OD2-NE1 3.14Å
480S83.3Confident80.6Confident4 Ų448 Ų483%0.02826%0.255CS..Hα-helixtrans-53.8-50.2-177.861.50000112.4V474 P475 Q477 Y482 W483 Y484V474-S480 WeakPolarHBondContact O-CB 3.47Å; P475-S480 PolarHBondContact O-OG 3.09Å; Q477-S480 WeakPolarHBondContact O-CB 3.25Å; Q477-S480 PolarHBondContact O-N 2.95Å; Q477-S480 PolarHBondContact O-OG 3.3Å; S480-Y482 VanDerWaalsContact C-N 3.27Å; S480-Y482 PolarHBondContact O-N 3.15Å; S480-W483 PolarHBondContact O-N 2.91Å; S480-W483 VanDerWaalsContact O-N 3.17Å; S480-Y484 VanDerWaalsContact O-CD2 3.22Å; S480-Y484 WeakPolarHBondContact O-CD2 3.44Å; S480-Y484 PolarHBondContact O-N 3.15Å
481M82Confident82.1Confident67 Ų6740.7 Ų40.733%0.3322%0.217SC..Hα-helixtrans-60.6-34.9178.8-74.8-63.4-138.900113D479 N485 L516D479-M481 PolarHBondContact O-N 3.42Å; M481-N485 WeakPolarHBondContact O-CB 3.5Å; M481-N485 VanDerWaalsContact O-CG 3.29Å; M481-N485 PolarHBondContact O-N 3.22Å; M481-N485 PolarHBondContact O-ND2 3.35Å; M481-N485 VanDerWaalsContact O-ND2 3.08Å; M481-L516 HydrophobicContact SD-CD2 3.85Å; M481-L516 HydrophobicContact SD-CG 4.19Å
482Y86.6Confident83.4Confident11 Ų1136.1 Ų36.14%0.04320%0.195CC..Hα-helixtrans-66.7-47.4176.4-178.3-89000110.5V393 V395 V399 D479 S480 N485 F486 H490V393-Y482 HydrophobicContact CG1-CD2 4.38Å; V393-Y482 HydrophobicContact CG1-CE2 4.23Å; V395-Y482 HydrophobicContact CG1-CE2 4.34Å; V395-Y482 HydrophobicContact CG2-CE2 4.08Å; V399-Y482 HydrophobicContact CB-CD1 4.4Å; V399-Y482 HydrophobicContact CG1-CD1 3.88Å; V399-Y482 HydrophobicContact CG1-CE1 3.64Å; V399-Y482 HydrophobicContact CG2-CD1 3.58Å; V399-Y482 HydrophobicContact CG2-CE1 4.22Å; V399-Y482 HydrophobicContact CG2-CG 3.79Å; D479-Y482 WeakPolarHBondContact O-CB 3.31Å; D479-Y482 PolarHBondContact O-N 3.38Å; S480-Y482 VanDerWaalsContact C-N 3.27Å; S480-Y482 PolarHBondContact O-N 3.15Å; Y482-N485 PolarHBondContact O-N 3.4Å; Y482-F486 AromaticContact CD2-CD2 3.76Å; Y482-F486 HydrophobicContact CD2-CD2 3.76Å; Y482-F486 HydrophobicContact CD2-CE2 4.34Å; Y482-F486 HydrophobicContact CE1-CB 4.35Å; Y482-F486 AromaticContact CE2-CD2 3.84Å; Y482-F486 HydrophobicContact CE2-CD2 3.84Å; Y482-F486 HydrophobicContact CE2-CG 4.44Å; Y482-F486 HydrophobicContact CG-CD2 4.26Å; Y482-F486 WeakPolarHBondContact O-CD2 3.33Å; Y482-F486 PolarHBondContact O-N 3.46Å; Y482-H490 AromaticContact CE1-NE2 3.6Å; Y482-H490 AromaticContact CZ-NE2 3.54Å; Y482-H490 PolarHBondContact OH-CE1 3.21Å; Y482-H490 PolarHBondContact OH-NE2 2.99Å
483W89.4Confident84.1Confident1 Ų134.8 Ų34.80%0.00420%0.196CC..Hα-helixtrans-67-42.5-179.1-65121.5000112.7V399 I402 I460 Y464 Y468 P473 D479 S480 N485 L487V399-W483 HydrophobicContact CG1-CH2 4.23Å; V399-W483 HydrophobicContact CG1-CZ2 4.05Å; V399-W483 HydrophobicContact CG2-CZ2 4.32Å; I402-W483 HydrophobicContact CB-CZ2 4.34Å; I402-W483 HydrophobicContact CD1-CZ2 3.72Å; I402-W483 HydrophobicContact CG2-CH2 4.49Å; I402-W483 HydrophobicContact CG2-CZ2 4.12Å; I460-W483 HydrophobicContact CD1-CH2 3.94Å; I460-W483 HydrophobicContact CD1-CZ3 4.3Å; I460-W483 HydrophobicContact CG1-CH2 3.8Å; I460-W483 HydrophobicContact CG1-CZ3 4.2Å; Y464-W483 AromaticContact CD2-CD2 3.49Å; Y464-W483 HydrophobicContact CD2-CD2 3.49Å; Y464-W483 VanDerWaalsContact CD2-CD2 3.49Å; Y464-W483 AromaticContact CD2-CE2 3.61Å; Y464-W483 AromaticContact CD2-CE3 3.58Å; Y464-W483 HydrophobicContact CD2-CE3 3.58Å; Y464-W483 HydrophobicContact CD2-CG 4.1Å; Y464-W483 AromaticContact CD2-CH2 3.91Å; Y464-W483 HydrophobicContact CD2-CH2 3.91Å; Y464-W483 AromaticContact CD2-CZ2 3.83Å; Y464-W483 HydrophobicContact CD2-CZ2 3.83Å; Y464-W483 AromaticContact CD2-CZ3 3.79Å; Y464-W483 HydrophobicContact CD2-CZ3 3.79Å; Y464-W483 HydrophobicContact CE2-CB 4.16Å; Y464-W483 AromaticContact CE2-CD2 3.59Å; Y464-W483 HydrophobicContact CE2-CD2 3.59Å; Y464-W483 AromaticContact CE2-CE2 3.98Å; Y464-W483 AromaticContact CE2-CE3 3.93Å; Y464-W483 HydrophobicContact CE2-CE3 3.93Å; Y464-W483 AromaticContact CE2-CG 3.68Å; Y464-W483 HydrophobicContact CE2-CG 3.68Å; Y464-W483 HydrophobicContact CG-CE3 4.31Å; Y464-W483 HydrophobicContact CG-CH2 4.43Å; Y464-W483 HydrophobicContact CG-CZ3 4.22Å; Y468-W483 AromaticContact CE2-NE1 3.98Å; P473-W483 HydrophobicContact CG-CB 3.83Å; P473-W483 HydrophobicContact CG-CG 4.44Å; D479-W483 PolarHBondContact O-N 2.85Å; D479-W483 VanDerWaalsContact O-N 3.09Å; D479-W483 PolarHBondContact OD2-NE1 3.03Å; D479-W483 VanDerWaalsContact OD2-NE1 3.14Å; S480-W483 PolarHBondContact O-N 2.91Å; S480-W483 VanDerWaalsContact O-N 3.17Å; W483-N485 PolarHBondContact O-N 3.25Å; W483-L487 HydrophobicContact CE3-CB 4.5Å; W483-L487 HydrophobicContact CE3-CD1 4.11Å; W483-L487 HydrophobicContact CZ3-CD1 4.37Å; W483-L487 WeakPolarHBondContact O-CB 3.3Å; W483-L487 PolarHBondContact O-N 3.13Å
484Y85.7Confident84.7Confident6 Ų634.8 Ų34.82%0.02420%0.197CC..Hα-helixtrans-60-35.4176.5-82.2-68.5000113P473 S480 W509 A512 K513 L516P473-Y484 HydrophobicContact CB-CE2 4.22Å; P473-Y484 HydrophobicContact CG-CE2 4.44Å; P473-Y484 PolarHBondContact O-OH 3.38Å; S480-Y484 VanDerWaalsContact O-CD2 3.22Å; S480-Y484 WeakPolarHBondContact O-CD2 3.44Å; S480-Y484 PolarHBondContact O-N 3.15Å; Y484-W509 AromaticContact CD1-CH2 3.66Å; Y484-W509 HydrophobicContact CD1-CH2 3.66Å; Y484-W509 HydrophobicContact CD1-CZ2 4.2Å; Y484-W509 AromaticContact CD1-CZ3 3.94Å; Y484-W509 HydrophobicContact CD1-CZ3 3.94Å; Y484-W509 HydrophobicContact CE1-CE3 4.44Å; Y484-W509 HydrophobicContact CE1-CH2 4.13Å; Y484-W509 AromaticContact CE1-CZ3 3.91Å; Y484-W509 HydrophobicContact CE1-CZ3 3.91Å; Y484-W509 HydrophobicContact CG-CH2 4.44Å; Y484-A512 HydrophobicContact CE1-CB 4.06Å; Y484-K513 HydrophobicContact CD1-CB 3.99Å; Y484-K513 HydrophobicContact CD1-CG 4.2Å; Y484-K513 HydrophobicContact CE1-CB 4.3Å; Y484-K513 WeakPolarHBondContact O-CE 3.27Å; Y484-K513 PolarHBondContact O-NZ 3.41Å; Y484-L516 HydrophobicContact CD2-CD2 3.39Å; Y484-L516 HydrophobicContact CE2-CD2 3.74Å; Y484-L516 HydrophobicContact CG-CD2 3.99Å
485N83.6Confident85.3Confident8 Ų834.9 Ų34.94%0.04320%0.195CC..Hα-helixtrans-87.2-36.3-177.7-66.5-23.6000113.5I197 M481 Y482 W483 H521I197-N485 HydrophobicContact CD1-CB 4.39Å; M481-N485 WeakPolarHBondContact O-CB 3.5Å; M481-N485 VanDerWaalsContact O-CG 3.29Å; M481-N485 PolarHBondContact O-N 3.22Å; M481-N485 PolarHBondContact O-ND2 3.35Å; M481-N485 VanDerWaalsContact O-ND2 3.08Å; Y482-N485 PolarHBondContact O-N 3.4Å; W483-N485 PolarHBondContact O-N 3.25Å; N485-H521 PolarHBondContact O-CE1 3.01Å
486F88.1Confident86.1Confident39 Ų3931.6 Ų31.617%0.17117%0.172CC..Hα-helixtrans-119.70.1-167.6-57.8-68.3000115.3P390 V393 Y482 Y489 H490P390-F486 HydrophobicContact CB-CD1 4.43Å; P390-F486 HydrophobicContact CB-CE1 4.22Å; P390-F486 HydrophobicContact CG-CD1 3.83Å; P390-F486 HydrophobicContact CG-CD2 4.47Å; P390-F486 HydrophobicContact CG-CE1 3.99Å; P390-F486 HydrophobicContact CG-CG 4.09Å; P390-F486 HydrophobicContact CG-CZ 4.4Å; V393-F486 HydrophobicContact CG1-CE2 3.87Å; V393-F486 HydrophobicContact CG1-CZ 4.25Å; V393-F486 HydrophobicContact CG2-CE1 4.24Å; V393-F486 HydrophobicContact CG2-CE2 4.06Å; V393-F486 HydrophobicContact CG2-CZ 3.57Å; Y482-F486 AromaticContact CD2-CD2 3.76Å; Y482-F486 HydrophobicContact CD2-CD2 3.76Å; Y482-F486 HydrophobicContact CD2-CE2 4.34Å; Y482-F486 HydrophobicContact CE1-CB 4.35Å; Y482-F486 AromaticContact CE2-CD2 3.84Å; Y482-F486 HydrophobicContact CE2-CD2 3.84Å; Y482-F486 HydrophobicContact CE2-CG 4.44Å; Y482-F486 HydrophobicContact CG-CD2 4.26Å; Y482-F486 WeakPolarHBondContact O-CD2 3.33Å; Y482-F486 PolarHBondContact O-N 3.46Å; F486-Y489 WeakPolarHBondContact O-CB 3.29Å; F486-Y489 PolarHBondContact O-N 3.26Å; F486-H490 PolarHBondContact O-CD2 2.88Å; F486-H490 PolarHBondContact O-N 3.29Å
487L90.7Very high86.7Confident1 Ų128.3 Ų28.31%0.00515%0.145CC..Hα-helixtrans-63.4-44.8176.4-177.862.5000111.9Y464 W483 Y489 H490 M491 L503 W509Y464-L487 HydrophobicContact CD1-CD1 3.85Å; Y464-L487 HydrophobicContact CD1-CD2 4.36Å; Y464-L487 HydrophobicContact CD2-CD1 4.5Å; Y464-L487 HydrophobicContact CE1-CD1 4.04Å; Y464-L487 HydrophobicContact CE1-CD2 3.7Å; Y464-L487 HydrophobicContact CG-CD1 4.1Å; W483-L487 HydrophobicContact CE3-CB 4.5Å; W483-L487 HydrophobicContact CE3-CD1 4.11Å; W483-L487 HydrophobicContact CZ3-CD1 4.37Å; W483-L487 WeakPolarHBondContact O-CB 3.3Å; W483-L487 PolarHBondContact O-N 3.13Å; L487-Y489 VanDerWaalsContact C-N 3.32Å; L487-Y489 PolarHBondContact O-N 3.35Å; L487-H490 PolarHBondContact O-N 3.45Å; L487-M491 HydrophobicContact CD1-CE 3.93Å; L487-M491 HydrophobicContact CD2-CE 4.2Å; L487-M491 HydrophobicContact CG-CE 3.92Å; L487-M491 WeakPolarHBondContact O-CG 3.4Å; L487-M491 PolarHBondContact O-N 3.49Å; L487-L503 HydrophobicContact CD2-CD1 4.26Å; L487-L503 HydrophobicContact CD2-CD2 3.73Å; L487-L503 HydrophobicContact CG-CD2 3.93Å; L487-W509 HydrophobicContact CD2-CH2 4.17Å; L487-W509 HydrophobicContact CD2-CZ3 4.29Å
488A88.8Confident87Confident0 Ų030.6 Ų30.60%015%0.154CC..Hα-helixtrans-61.7-41.4175.800000111.4H490 M491 A492 L500 Y529A488-H490 PolarHBondContact O-N 3.01Å; A488-M491 PolarHBondContact O-N 2.64Å; A488-A492 WeakPolarHBondContact O-CB 3.25Å; A488-A492 PolarHBondContact O-N 3.31Å; A488-L500 HydrophobicContact CB-CD1 4.13Å; A488-Y529 HydrophobicContact CB-CD2 4.32Å; A488-Y529 HydrophobicContact CB-CE2 3.86Å
489Y89.3Confident87.5Confident71 Ų7127.9 Ų27.928%0.27814%0.141SC..Hα-helixtrans-55.8-48.9173.2167.5-103.5000112.4P390 H457 F486 L487 M491 A492 G493 Y529P390-Y489 HydrophobicContact CG-CE1 4.35Å; H457-Y489 AromaticContact CE1-CE1 3.71Å; F486-Y489 WeakPolarHBondContact O-CB 3.29Å; F486-Y489 PolarHBondContact O-N 3.26Å; L487-Y489 VanDerWaalsContact C-N 3.32Å; L487-Y489 PolarHBondContact O-N 3.35Å; Y489-M491 PolarHBondContact O-N 2.89Å; Y489-A492 PolarHBondContact O-N 3.35Å; Y489-G493 PolarHBondContact O-N 2.78Å; Y489-Y529 WeakPolarHBondContact CA-OH 3.5Å; Y489-Y529 WeakPolarHBondContact CB-OH 3.46Å
490H91.9Very high87.8Confident0 Ų027.8 Ų27.80%014%0.141CC..Hα-helixtrans-67.3-36.8179.3-65.8-57.6000112.7I388 H457 I460 V461 Y482 F486 L487 A488 A494I388-H490 PolarHBondContact O-CE1 3.21Å; H457-H490 AromaticContact CE1-ND1 3.54Å; H457-H490 AromaticContact ND1-CG 3.97Å; H457-H490 AromaticContact ND1-ND1 3.23Å; H457-H490 PolarHBondContact ND1-ND1 2.92Å; I460-H490 HydrophobicContact CG2-CB 4.03Å; V461-H490 HydrophobicContact CG2-CB 3.93Å; Y482-H490 AromaticContact CE1-NE2 3.6Å; Y482-H490 AromaticContact CZ-NE2 3.54Å; Y482-H490 PolarHBondContact OH-CE1 3.21Å; Y482-H490 PolarHBondContact OH-NE2 2.99Å; F486-H490 PolarHBondContact O-CD2 2.88Å; F486-H490 PolarHBondContact O-N 3.29Å; L487-H490 PolarHBondContact O-N 3.45Å; A488-H490 PolarHBondContact O-N 3.01Å; H490-A494 WeakPolarHBondContact O-CB 3.4Å; H490-A494 PolarHBondContact O-N 2.85Å
491M91.3Very high88Confident7 Ų728.2 Ų28.23%0.03414%0.144CC..Hα-helixtrans-66.8-41.4175.3-71-175.7-179.200112.5V461 L487 A488 Y489 A494 N495 M496 L500 L503V461-M491 HydrophobicContact CG1-CE 4.1Å; V461-M491 HydrophobicContact CG1-CG 4.02Å; V461-M491 HydrophobicContact CG2-CG 3.88Å; L487-M491 HydrophobicContact CD1-CE 3.93Å; L487-M491 HydrophobicContact CD2-CE 4.2Å; L487-M491 HydrophobicContact CG-CE 3.92Å; L487-M491 WeakPolarHBondContact O-CG 3.4Å; L487-M491 PolarHBondContact O-N 3.49Å; A488-M491 PolarHBondContact O-N 2.64Å; Y489-M491 PolarHBondContact O-N 2.89Å; M491-A494 PolarHBondContact O-N 2.83Å; M491-N495 PolarHBondContact O-N 2.76Å; M491-M496 PolarHBondContact O-N 3.44Å; M491-L500 HydrophobicContact CB-CB 4.19Å; M491-L500 HydrophobicContact CB-CD1 3.91Å; M491-L500 HydrophobicContact SD-CD1 4.49Å; M491-L503 HydrophobicContact CE-CD2 3.97Å; M491-L503 HydrophobicContact SD-CB 4.28Å; M491-L503 HydrophobicContact SD-CD2 3.8Å
492A88.9Confident88.3Confident17 Ų1729.9 Ų29.914%0.1415%0.154CC..Hα-helixtrans-65.5-44.5175.300000111.4A488 Y489 A494 N495 L500 Y529A488-A492 WeakPolarHBondContact O-CB 3.25Å; A488-A492 PolarHBondContact O-N 3.31Å; Y489-A492 PolarHBondContact O-N 3.35Å; A492-A494 VanDerWaalsContact C-N 3.26Å; A492-A494 PolarHBondContact O-N 3.15Å; A492-N495 WeakPolarHBondContact O-CA 3.32Å; A492-N495 PolarHBondContact O-N 2.76Å; A492-L500 HydrophobicContact CB-CD2 4.25Å; A492-Y529 HydrophobicContact CB-CD1 3.65Å; A492-Y529 HydrophobicContact CB-CD2 4.3Å; A492-Y529 HydrophobicContact CB-CE1 3.9Å; A492-Y529 HydrophobicContact CB-CE2 4.47Å; A492-Y529 HydrophobicContact CB-CG 3.9Å
493G86.9Confident88.5Confident33 Ų3330.5 Ų30.534%0.3416%0.158SC..Hα-helixtrans-62.1-30175.100000113.9Y489 N495Y489-G493 PolarHBondContact O-N 2.78Å; G493-N495 VanDerWaalsContact C-N 3.3Å
494A89.3Confident88.5Confident3 Ų330.5 Ų30.53%0.02516%0.158CC..THydrogen-bonded Turntrans-79.1-10.5172.700000113.7Q454 H457 K458 H490 M491 A492 M496Q454-A494 WeakPolarHBondContact CG-O 3.46Å; Q454-A494 PolarHBondContact NE2-O 3.19Å; H457-A494 HydrophobicContact CB-CB 3.79Å; K458-A494 HydrophobicContact CB-CB 4.14Å; H490-A494 WeakPolarHBondContact O-CB 3.4Å; H490-A494 PolarHBondContact O-N 2.85Å; M491-A494 PolarHBondContact O-N 2.83Å; A492-A494 VanDerWaalsContact C-N 3.26Å; A492-A494 PolarHBondContact O-N 3.15Å; A494-M496 HydrophobicContact CB-CB 4.33Å; A494-M496 HydrophobicContact CB-CG 3.61Å; A494-M496 HydrophobicContact CB-SD 3.82Å; A494-M496 PolarHBondContact O-N 3.04Å
495N88.6Confident88.7Confident78 Ų7831.1 Ų31.142%0.41716%0.161SC..THydrogen-bonded Turntrans54.736.8-168-161.224.6000112.8M491 A492 G493 Q497M491-N495 PolarHBondContact O-N 2.76Å; A492-N495 WeakPolarHBondContact O-CA 3.32Å; A492-N495 PolarHBondContact O-N 2.76Å; G493-N495 VanDerWaalsContact C-N 3.3Å; N495-Q497 PolarHBondContact O-N 2.73Å; N495-Q497 VanDerWaalsContact O-N 3.17Å
496M88.8Confident89.1Confident13 Ų1332.3 Ų32.36%0.06417%0.169CC..  trans-8773.3179.1-71179.285.100110.8K458 V461 M491 A494 K498 E499 L500K458-M496 HydrophobicContact CB-SD 4.36Å; K458-M496 HydrophobicContact CG-CE 4.35Å; K458-M496 HydrophobicContact CG-SD 3.84Å; V461-M496 HydrophobicContact CB-SD 4.08Å; V461-M496 HydrophobicContact CG1-CE 4.23Å; V461-M496 HydrophobicContact CG1-SD 3.87Å; M491-M496 PolarHBondContact O-N 3.44Å; A494-M496 HydrophobicContact CB-CB 4.33Å; A494-M496 HydrophobicContact CB-CG 3.61Å; A494-M496 HydrophobicContact CB-SD 3.82Å; A494-M496 PolarHBondContact O-N 3.04Å; M496-K498 PolarHBondContact O-N 3.19Å; M496-E499 WeakPolarHBondContact CE-OE1 3.27Å; M496-E499 PolarHBondContact O-N 2.86Å; M496-L500 WeakPolarHBondContact O-CB 3.39Å; M496-L500 PolarHBondContact O-N 2.97Å
497Q85.8Confident89.2Confident40 Ų4030.5 Ų30.519%0.18716%0.161CC..Hα-helixtrans-60.2-42.7-170.8-67.5176-14.200114N495 E499 C501 V532 Q535N495-Q497 PolarHBondContact O-N 2.73Å; N495-Q497 VanDerWaalsContact O-N 3.17Å; Q497-E499 VanDerWaalsContact C-N 3.31Å; Q497-E499 PolarHBondContact O-N 3.47Å; Q497-C501 WeakPolarHBondContact O-CB 3.5Å; Q497-C501 PolarHBondContact O-N 3.27Å; Q497-C501 PolarHBondContact O-SG 2.81Å; Q497-V532 HydrophobicContact CG-CG1 3.86Å; Q497-Q535 VanDerWaalsContact NE2-CD 3.34Å
498K86.7Confident89.1Confident129 Ų12934.7 Ų34.756%0.56118%0.184SC*.Hα-helixtrans-61.5-46.6-176.5-173-179.8176.1-177.90110M496 C501 D502M496-K498 PolarHBondContact O-N 3.19Å; K498-C501 PolarHBondContact O-N 2.86Å; K498-D502 WeakPolarHBondContact O-CB 3.49Å; K498-D502 PolarHBondContact O-N 3.25Å
499E88.3Confident89.1Confident56 Ų5634.8 Ų34.826%0.26218%0.184SC..Hα-helixtrans-79.5-28.3-173.5-56.4108.3126.100112.7K465 M496 Q497 L503K465-E499 IonicContact NZ-OE1 2.79Å; K465-E499 PolarHBondContact NZ-OE1 3.47Å; K465-E499 VanDerWaalsContact NZ-OE1 3.09Å; M496-E499 WeakPolarHBondContact CE-OE1 3.27Å; M496-E499 PolarHBondContact O-N 2.86Å; Q497-E499 VanDerWaalsContact C-N 3.31Å; Q497-E499 PolarHBondContact O-N 3.47Å; E499-L503 WeakPolarHBondContact O-CB 2.95Å; E499-L503 PolarHBondContact O-N 3.44Å
500L89.6Confident89.1Confident0 Ų031.4 Ų31.40%017%0.171CC..Hα-helixtrans-64.1-45.9168-174.966.7000111.1A488 M491 A492 M496 L503 M504 V532 L533A488-L500 HydrophobicContact CB-CD1 4.13Å; M491-L500 HydrophobicContact CB-CB 4.19Å; M491-L500 HydrophobicContact CB-CD1 3.91Å; M491-L500 HydrophobicContact SD-CD1 4.49Å; A492-L500 HydrophobicContact CB-CD2 4.25Å; M496-L500 WeakPolarHBondContact O-CB 3.39Å; M496-L500 PolarHBondContact O-N 2.97Å; L500-L503 PolarHBondContact O-N 3.25Å; L500-M504 HydrophobicContact CD1-CG 4Å; L500-M504 HydrophobicContact CD1-SD 3.6Å; L500-M504 HydrophobicContact CD2-SD 4.45Å; L500-M504 HydrophobicContact CG-CG 4.38Å; L500-M504 HydrophobicContact CG-SD 3.87Å; L500-M504 WeakPolarHBondContact O-CB 3.28Å; L500-M504 WeakPolarHBondContact O-CG 3.45Å; L500-M504 PolarHBondContact O-N 3.38Å; L500-V532 HydrophobicContact CD2-CB 4.47Å; L500-V532 HydrophobicContact CD2-CG1 4.02Å; L500-L533 HydrophobicContact CD2-CD2 3.88Å; L500-L533 HydrophobicContact CD2-CG 4.27Å; L500-L533 HydrophobicContact CG-CD2 3.94Å
501C88.5Confident89Confident13 Ų1335.3 Ų35.39%0.08819%0.188CC..Hα-helixtrans-61.7-46.2174.5-69.30000111.4Q497 K498 L503 M504 F505Q497-C501 WeakPolarHBondContact O-CB 3.5Å; Q497-C501 PolarHBondContact O-N 3.27Å; Q497-C501 PolarHBondContact O-SG 2.81Å; K498-C501 PolarHBondContact O-N 2.86Å; C501-L503 VanDerWaalsContact C-N 3.26Å; C501-L503 PolarHBondContact O-N 3.41Å; C501-M504 PolarHBondContact O-N 3.19Å; C501-F505 HydrophobicContact CB-CD2 3.8Å; C501-F505 HydrophobicContact CB-CE2 3.79Å; C501-F505 WeakPolarHBondContact O-CA 3.39Å; C501-F505 WeakPolarHBondContact O-CB 3.35Å; C501-F505 WeakPolarHBondContact O-CD2 3.44Å; C501-F505 WeakPolarHBondContact O-CG 3.1Å; C501-F505 PolarHBondContact O-N 3.29Å
502D88.4Confident88.7Confident101 Ų10136 Ų3654%0.5420%0.195SC..Hα-helixtrans-61.1-35.7179.8-65.3-18.9000111.8K498K498-D502 WeakPolarHBondContact O-CB 3.49Å; K498-D502 PolarHBondContact O-N 3.25Å
503L90.2Very high88.5Confident25 Ų2535.2 Ų35.213%0.13119%0.188CC..Hα-helixtrans-75.2-53.6176.5-176.471.7000112L487 M491 E499 L500 C501 S506 W509L487-L503 HydrophobicContact CD2-CD1 4.26Å; L487-L503 HydrophobicContact CD2-CD2 3.73Å; L487-L503 HydrophobicContact CG-CD2 3.93Å; M491-L503 HydrophobicContact CE-CD2 3.97Å; M491-L503 HydrophobicContact SD-CB 4.28Å; M491-L503 HydrophobicContact SD-CD2 3.8Å; E499-L503 WeakPolarHBondContact O-CB 2.95Å; E499-L503 PolarHBondContact O-N 3.44Å; L500-L503 PolarHBondContact O-N 3.25Å; C501-L503 VanDerWaalsContact C-N 3.26Å; C501-L503 PolarHBondContact O-N 3.41Å; L503-S506 WeakPolarHBondContact O-CB 3.45Å; L503-S506 PolarHBondContact O-N 3.08Å; L503-W509 HydrophobicContact CD1-CD2 3.64Å; L503-W509 HydrophobicContact CD1-CE3 3.45Å; L503-W509 VanDerWaalsContact CD1-CE3 3.45Å; L503-W509 HydrophobicContact CD1-CG 4.06Å; L503-W509 HydrophobicContact CD1-CZ3 4Å; L503-W509 HydrophobicContact CD2-CD2 4.5Å; L503-W509 HydrophobicContact CD2-CZ2 4.32Å; L503-W509 HydrophobicContact CG-CD2 3.94Å; L503-W509 HydrophobicContact CG-CE3 4.22Å; L503-W509 HydrophobicContact CG-CG 4.16Å; L503-W509 VanDerWaalsContact O-CB 3.31Å; L503-W509 WeakPolarHBondContact O-CB 3.31Å
504M88.8Confident88.2Confident0 Ų033.6 Ų33.60%017%0.172CC..Hα-helixtrans-72.7-32.6-173.5-67.5-173.173.800112L500 C501 S506 E525 Y526 L533L500-M504 HydrophobicContact CD1-CG 4Å; L500-M504 HydrophobicContact CD1-SD 3.6Å; L500-M504 HydrophobicContact CD2-SD 4.45Å; L500-M504 HydrophobicContact CG-CG 4.38Å; L500-M504 HydrophobicContact CG-SD 3.87Å; L500-M504 WeakPolarHBondContact O-CB 3.28Å; L500-M504 WeakPolarHBondContact O-CG 3.45Å; L500-M504 PolarHBondContact O-N 3.38Å; C501-M504 PolarHBondContact O-N 3.19Å; M504-S506 PolarHBondContact O-N 2.97Å; M504-E525 HydrophobicContact CE-CB 4.01Å; M504-Y526 HydrophobicContact CB-CE1 4.35Å; M504-Y526 HydrophobicContact CE-CD1 3.82Å; M504-Y526 HydrophobicContact CE-CD2 3.84Å; M504-Y526 HydrophobicContact CE-CE1 3.97Å; M504-Y526 HydrophobicContact CE-CE2 3.95Å; M504-Y526 HydrophobicContact CE-CG 3.77Å; M504-Y526 PolarHBondContact O-OH 3.27Å; M504-L533 HydrophobicContact CE-CD1 3.96Å; M504-L533 HydrophobicContact SD-CD1 3.83Å; M504-L533 HydrophobicContact SD-CD2 4.02Å; M504-L533 HydrophobicContact SD-CG 4.43Å
505F91.1Very high87.9Confident20 Ų2037.2 Ų37.29%0.08819%0.188CC..THydrogen-bonded Turntrans-89.223.4177.7-53.9-29.1000112.6C501 Y526 L533 V540 R541 F544 Q579C501-F505 HydrophobicContact CB-CD2 3.8Å; C501-F505 HydrophobicContact CB-CE2 3.79Å; C501-F505 WeakPolarHBondContact O-CA 3.39Å; C501-F505 WeakPolarHBondContact O-CB 3.35Å; C501-F505 WeakPolarHBondContact O-CD2 3.44Å; C501-F505 WeakPolarHBondContact O-CG 3.1Å; C501-F505 PolarHBondContact O-N 3.29Å; F505-Y526 HydrophobicContact CD1-CE1 4.21Å; F505-Y526 HydrophobicContact CE1-CE1 4.01Å; F505-L533 HydrophobicContact CZ-CD2 4.29Å; F505-V540 HydrophobicContact CB-CG1 4.41Å; F505-V540 HydrophobicContact CD1-CG1 3.95Å; F505-V540 HydrophobicContact CD2-CG1 3.6Å; F505-V540 HydrophobicContact CE1-CG1 4.05Å; F505-V540 HydrophobicContact CE2-CB 4.14Å; F505-V540 HydrophobicContact CE2-CG1 3.68Å; F505-V540 HydrophobicContact CG-CG1 3.74Å; F505-V540 HydrophobicContact CZ-CB 4.26Å; F505-V540 HydrophobicContact CZ-CG1 3.92Å; F505-R541 HydrophobicContact CE1-CB 4.26Å; F505-R541 HydrophobicContact CZ-CB 4.23Å; F505-F544 HydrophobicContact CB-CD2 4.22Å; F505-F544 HydrophobicContact CB-CE2 3.68Å; F505-F544 HydrophobicContact CB-CZ 4.07Å; F505-F544 AromaticContact CD1-CD2 3.7Å; F505-F544 HydrophobicContact CD1-CD2 3.7Å; F505-F544 HydrophobicContact CD1-CE2 4.06Å; F505-F544 HydrophobicContact CD1-CG 4.32Å; F505-F544 HydrophobicContact CE1-CD2 4.43Å; F505-F544 HydrophobicContact CG-CD2 4.2Å; F505-F544 HydrophobicContact CG-CE2 4.1Å; F505-F544 WeakPolarHBondContact O-CZ 3.39Å; F505-Q579 VanDerWaalsContact O-CD 3.27Å; F505-Q579 PolarHBondContact O-NE2 3.04Å; F505-Q579 PolarHBondContact O-OE1 3.26Å
506S90.8Very high87.3Confident32 Ų3235.3 Ų35.322%0.22418%0.178CC..  trans-102.4125.5173.3172.20000110.9L503 M504 D508 W509 I510L503-S506 WeakPolarHBondContact O-CB 3.45Å; L503-S506 PolarHBondContact O-N 3.08Å; M504-S506 PolarHBondContact O-N 2.97Å; S506-D508 VanDerWaalsContact C-N 3.25Å; S506-D508 PolarHBondContact O-N 3.22Å; S506-D508 PolarHBondContact OG-N 3Å; S506-W509 PolarHBondContact O-N 2.97Å; S506-I510 WeakPolarHBondContact O-CG1 3.38Å; S506-I510 PolarHBondContact O-N 3.44Å; S506-I510 VanDerWaalsContact O-N 3.17Å
507L90.7Very high86.5Confident1 Ų134.9 Ų34.91%0.00518%0.176CC..Hα-helixtrans-63.4-30.7175.2-69.5173.7000113I510 K511 F544 F547 I563 V576 Q579 A580 L583L507-I510 HydrophobicContact CD2-CD1 4.49Å; L507-I510 PolarHBondContact O-N 2.8Å; L507-K511 WeakPolarHBondContact O-CB 3.26Å; L507-K511 PolarHBondContact O-N 3.48Å; L507-F544 HydrophobicContact CD2-CE1 3.89Å; L507-F544 HydrophobicContact CG-CE1 4.42Å; L507-F547 HydrophobicContact CD2-CE1 4.33Å; L507-I563 HydrophobicContact CD2-CG1 4.32Å; L507-V576 HydrophobicContact CD2-CG1 4.18Å; L507-Q579 HydrophobicContact CD1-CB 3.88Å; L507-Q579 HydrophobicContact CG-CB 4.46Å; L507-A580 HydrophobicContact CD1-CB 3.91Å; L507-L583 HydrophobicContact CB-CD1 4.27Å; L507-L583 HydrophobicContact CD1-CD1 4.14Å
508D88.8Confident85.8Confident90 Ų9033 Ų3348%0.48117%0.168SC..Hα-helixtrans-67.4-37.7176.7-62.8-37.3000111.7S506 K511 A512S506-D508 VanDerWaalsContact C-N 3.25Å; S506-D508 PolarHBondContact O-N 3.22Å; S506-D508 PolarHBondContact OG-N 3Å; D508-K511 PolarHBondContact O-N 3.15Å; D508-A512 WeakPolarHBondContact O-CB 2.85Å; D508-A512 PolarHBondContact O-N 3.36Å
509W89.6Confident85.1Confident1 Ų127.3 Ų27.30%0.00414%0.144CC..Hα-helixtrans-65.3-43.8173.1178.3-101.5000112.2M472 Y484 L487 L503 S506 K511 A512 K513M472-W509 HydrophobicContact CE-CB 3.84Å; M472-W509 HydrophobicContact CE-CD2 4.02Å; M472-W509 HydrophobicContact CE-CE3 3.24Å; M472-W509 HydrophobicContact CE-CG 4.32Å; M472-W509 HydrophobicContact CE-CZ3 4.04Å; M472-W509 HydrophobicContact SD-CE3 3.62Å; M472-W509 HydrophobicContact SD-CZ3 4.06Å; Y484-W509 AromaticContact CD1-CH2 3.66Å; Y484-W509 HydrophobicContact CD1-CH2 3.66Å; Y484-W509 HydrophobicContact CD1-CZ2 4.2Å; Y484-W509 AromaticContact CD1-CZ3 3.94Å; Y484-W509 HydrophobicContact CD1-CZ3 3.94Å; Y484-W509 HydrophobicContact CE1-CE3 4.44Å; Y484-W509 HydrophobicContact CE1-CH2 4.13Å; Y484-W509 AromaticContact CE1-CZ3 3.91Å; Y484-W509 HydrophobicContact CE1-CZ3 3.91Å; Y484-W509 HydrophobicContact CG-CH2 4.44Å; L487-W509 HydrophobicContact CD2-CH2 4.17Å; L487-W509 HydrophobicContact CD2-CZ3 4.29Å; L503-W509 HydrophobicContact CD1-CD2 3.64Å; L503-W509 HydrophobicContact CD1-CE3 3.45Å; L503-W509 VanDerWaalsContact CD1-CE3 3.45Å; L503-W509 HydrophobicContact CD1-CG 4.06Å; L503-W509 HydrophobicContact CD1-CZ3 4Å; L503-W509 HydrophobicContact CD2-CD2 4.5Å; L503-W509 HydrophobicContact CD2-CZ2 4.32Å; L503-W509 HydrophobicContact CG-CD2 3.94Å; L503-W509 HydrophobicContact CG-CE3 4.22Å; L503-W509 HydrophobicContact CG-CG 4.16Å; L503-W509 VanDerWaalsContact O-CB 3.31Å; L503-W509 WeakPolarHBondContact O-CB 3.31Å; S506-W509 PolarHBondContact O-N 2.97Å; W509-K511 VanDerWaalsContact C-N 3.35Å; W509-K511 PolarHBondContact O-N 3.13Å; W509-A512 PolarHBondContact O-N 2.78Å; W509-K513 HydrophobicContact CZ2-CD 3.79Å; W509-K513 WeakPolarHBondContact O-CB 3.28Å; W509-K513 PolarHBondContact O-N 2.95Å
510I88.8Confident84.1Confident0 Ų026.6 Ų26.60%015%0.147CC..Hα-helixtrans-60.1-48.4175.8-64179.8000110.1S506 L507 T514 L522 F544 F547 L548 I563S506-I510 WeakPolarHBondContact O-CG1 3.38Å; S506-I510 PolarHBondContact O-N 3.44Å; S506-I510 VanDerWaalsContact O-N 3.17Å; L507-I510 HydrophobicContact CD2-CD1 4.49Å; L507-I510 PolarHBondContact O-N 2.8Å; I510-T514 HydrophobicContact CG2-CG2 4.09Å; I510-T514 VanDerWaalsContact O-CB 3.27Å; I510-T514 WeakPolarHBondContact O-CB 3.42Å; I510-T514 WeakPolarHBondContact O-CG2 3.44Å; I510-T514 PolarHBondContact O-N 2.97Å; I510-T514 PolarHBondContact O-OG1 3.35Å; I510-L522 HydrophobicContact CB-CD2 4.4Å; I510-L522 HydrophobicContact CG1-CD2 4.01Å; I510-L522 HydrophobicContact CG2-CD2 4.23Å; I510-F544 HydrophobicContact CD1-CD1 3.34Å; I510-F544 HydrophobicContact CD1-CE1 3.61Å; I510-F544 HydrophobicContact CD1-CG 4.49Å; I510-F547 HydrophobicContact CG2-CE1 4.47Å; I510-L548 HydrophobicContact CD1-CD2 4.48Å; I510-L548 HydrophobicContact CG2-CD2 3.57Å; I510-I563 HydrophobicContact CG2-CD1 4.13Å
511K88.5Confident83.3Confident83 Ų8327.3 Ų27.336%0.36115%0.151SC..Hα-helixtrans-55.9-58.8177179.4176.2-179.3179.20111.5L507 D508 W509 K513 T514 E515 F560 I563L507-K511 WeakPolarHBondContact O-CB 3.26Å; L507-K511 PolarHBondContact O-N 3.48Å; D508-K511 PolarHBondContact O-N 3.15Å; W509-K511 VanDerWaalsContact C-N 3.35Å; W509-K511 PolarHBondContact O-N 3.13Å; K511-K513 VanDerWaalsContact C-N 3.3Å; K511-K513 PolarHBondContact O-N 2.8Å; K511-T514 PolarHBondContact O-N 3.41Å; K511-T514 PolarHBondContact O-OG1 2.89Å; K511-E515 WeakPolarHBondContact CE-OE1 3.21Å; K511-E515 VanDerWaalsContact CG-OE1 3.29Å; K511-E515 WeakPolarHBondContact CG-OE1 3.22Å; K511-E515 WeakPolarHBondContact O-CB 2.97Å; K511-E515 WeakPolarHBondContact O-CG 3.34Å; K511-E515 PolarHBondContact O-N 3.21Å; K511-F560 HydrophobicContact CG-CE1 3.86Å; K511-F560 HydrophobicContact CG-CZ 4.43Å; K511-I563 HydrophobicContact CB-CG2 4.19Å; K511-I563 HydrophobicContact CD-CG2 4.21Å
512A86.4Confident82.8Confident21 Ų2126.7 Ų26.717%0.17415%0.146CC..Hα-helixtrans-61.5-38.2-174.900000112.8M472 Y484 D508 W509 L516M472-A512 HydrophobicContact CE-CB 3.91Å; Y484-A512 HydrophobicContact CE1-CB 4.06Å; D508-A512 WeakPolarHBondContact O-CB 2.85Å; D508-A512 PolarHBondContact O-N 3.36Å; W509-A512 PolarHBondContact O-N 2.78Å; A512-L516 PolarHBondContact O-N 3.37Å
513K84.8Confident82Confident0 Ų023.3 Ų23.30%013%0.128CC..Hα-helixtrans-75.6-41179.7-174165.2177.6164.40112.6Y484 W509 K511 L516 V517 H521 L522 E525Y484-K513 HydrophobicContact CD1-CB 3.99Å; Y484-K513 HydrophobicContact CD1-CG 4.2Å; Y484-K513 HydrophobicContact CE1-CB 4.3Å; Y484-K513 WeakPolarHBondContact O-CE 3.27Å; Y484-K513 PolarHBondContact O-NZ 3.41Å; W509-K513 HydrophobicContact CZ2-CD 3.79Å; W509-K513 WeakPolarHBondContact O-CB 3.28Å; W509-K513 PolarHBondContact O-N 2.95Å; K511-K513 VanDerWaalsContact C-N 3.3Å; K511-K513 PolarHBondContact O-N 2.8Å; K513-L516 PolarHBondContact O-N 2.9Å; K513-V517 PolarHBondContact O-N 3.15Å; K513-H521 WeakPolarHBondContact CE-ND1 3.14Å; K513-H521 PolarHBondContact NZ-ND1 2.9Å; K513-L522 HydrophobicContact CD-CD1 4.25Å; K513-E525 IonicContact NZ-OE1 2.98Å; K513-E525 PolarHBondContact NZ-OE1 2.93Å; K513-E525 IonicContact NZ-OE2 2.76Å; K513-E525 PolarHBondContact NZ-OE2 2.74Å
514T80.7Confident81.2Confident0 Ų023.3 Ų23.30%013%0.127CC..Hα-helixtrans-72.3-30.8179.855.70000112.6I510 K511 L516 G518 P519 L522 L548 L555 F560I510-T514 HydrophobicContact CG2-CG2 4.09Å; I510-T514 VanDerWaalsContact O-CB 3.27Å; I510-T514 WeakPolarHBondContact O-CB 3.42Å; I510-T514 WeakPolarHBondContact O-CG2 3.44Å; I510-T514 PolarHBondContact O-N 2.97Å; I510-T514 PolarHBondContact O-OG1 3.35Å; K511-T514 PolarHBondContact O-N 3.41Å; K511-T514 PolarHBondContact O-OG1 2.89Å; T514-L516 VanDerWaalsContact C-N 3.32Å; T514-G518 VanDerWaalsContact O-CA 3.28Å; T514-G518 WeakPolarHBondContact O-CA 3.27Å; T514-G518 PolarHBondContact O-N 2.87Å; T514-G518 VanDerWaalsContact O-N 3.12Å; T514-P519 HydrophobicContact CG2-CB 4.1Å; T514-L522 HydrophobicContact CG2-CD2 4.29Å; T514-L548 HydrophobicContact CG2-CD2 4.47Å; T514-L555 HydrophobicContact CG2-CB 4.39Å; T514-F560 WeakPolarHBondContact OG1-CE2 3.39Å; T514-F560 VanDerWaalsContact OG1-CZ 3.26Å; T514-F560 WeakPolarHBondContact OG1-CZ 3.26Å
515E81.3Confident80.8Confident79 Ų7923.3 Ų23.337%0.36913%0.127SC..Hα-helixtrans-61.9-38.6170-78.5176.2-171.900112.1K511 F560K511-E515 WeakPolarHBondContact CE-OE1 3.21Å; K511-E515 VanDerWaalsContact CG-OE1 3.29Å; K511-E515 WeakPolarHBondContact CG-OE1 3.22Å; K511-E515 WeakPolarHBondContact O-CB 2.97Å; K511-E515 WeakPolarHBondContact O-CG 3.34Å; K511-E515 PolarHBondContact O-N 3.21Å; E515-F560 HydrophobicContact CB-CD2 4.31Å; E515-F560 HydrophobicContact CB-CE2 4.3Å; E515-F560 HydrophobicContact CG-CB 4.24Å; E515-F560 HydrophobicContact CG-CD1 3.68Å; E515-F560 HydrophobicContact CG-CD2 3.35Å; E515-F560 HydrophobicContact CG-CE1 3.8Å; E515-F560 HydrophobicContact CG-CE2 3.46Å; E515-F560 VanDerWaalsContact CG-CE2 3.46Å; E515-F560 HydrophobicContact CG-CG 3.46Å; E515-F560 VanDerWaalsContact CG-CG 3.46Å; E515-F560 HydrophobicContact CG-CZ 3.7Å; E515-F560 VanDerWaalsContact OE1-CD1 3.24Å; E515-F560 WeakPolarHBondContact OE1-CD1 3.16Å
516L77.9Confident80.2Confident38 Ų3822.4 Ų22.420%0.19912%0.123CC..Hα-helixtrans-88.4-47.4-174.8-174.867000114P216 P475 M481 Y484 A512 K513 T514P216-L516 WeakPolarHBondContact CG-O 3.23Å; P475-L516 HydrophobicContact CB-CD1 4.38Å; M481-L516 HydrophobicContact SD-CD2 3.85Å; M481-L516 HydrophobicContact SD-CG 4.19Å; Y484-L516 HydrophobicContact CD2-CD2 3.39Å; Y484-L516 HydrophobicContact CE2-CD2 3.74Å; Y484-L516 HydrophobicContact CG-CD2 3.99Å; A512-L516 PolarHBondContact O-N 3.37Å; K513-L516 PolarHBondContact O-N 2.9Å; T514-L516 VanDerWaalsContact C-N 3.32Å
517V71.6Confident79.4Confident4 Ų422.1 Ų22.12%0.02412%0.12CC..THydrogen-bonded Turntrans-114-19.6-169.2-173.10000112Q200 K513 H521Q200-V517 PolarHBondContact NE2-O 3.26Å; K513-V517 PolarHBondContact O-N 3.15Å; V517-H521 HydrophobicContact CG1-CB 4.22Å
518G69.7Low78.7Confident1 Ų125.7 Ų25.71%0.0114%0.137CC..  trans87.4173.1-169.800000113.7T514T514-G518 VanDerWaalsContact O-CA 3.28Å; T514-G518 WeakPolarHBondContact O-CA 3.27Å; T514-G518 PolarHBondContact O-N 2.87Å; T514-G518 VanDerWaalsContact O-N 3.12Å
519P73.8Confident78.4Confident9 Ų922.3 Ų22.36%0.05812%0.117CC..Hα-helixtrans-80.3-21.1-173.630.3-34.8000114.1T514 H521 L522 I523 G552 L555T514-P519 HydrophobicContact CG2-CB 4.1Å; P519-H521 PolarHBondContact O-N 3.05Å; P519-L522 PolarHBondContact O-N 3.45Å; P519-L522 VanDerWaalsContact O-N 3.15Å; P519-I523 HydrophobicContact CB-CD1 4.26Å; P519-I523 WeakPolarHBondContact O-CG1 3.17Å; P519-I523 PolarHBondContact O-N 2.83Å; P519-G552 WeakPolarHBondContact CG-O 3.5Å; P519-L555 HydrophobicContact CB-CB 4.21Å; P519-L555 WeakPolarHBondContact CD-O 3.3Å; P519-L555 HydrophobicContact CG-CB 4.09Å; P519-L555 WeakPolarHBondContact CG-O 3.32Å
520A65.7Low77.7Confident40 Ų4023.9 Ų23.933%0.33113%0.128SC..Hα-helixtrans-57.6-48-172.400000113.2L196 L522 I523 H524L196-A520 HydrophobicContact CD2-CB 3.94Å; A520-L522 PolarHBondContact O-N 3.05Å; A520-I523 PolarHBondContact O-N 3.47Å; A520-H524 PolarHBondContact O-N 3.3Å
521H72.8Confident77.2Confident16 Ų1627.8 Ų27.87%0.07416%0.155CC..Hα-helixtrans-64.5-40.5178.3-177.7-106.6000111.9N485 K513 V517 P519 H524 E525N485-H521 PolarHBondContact O-CE1 3.01Å; K513-H521 WeakPolarHBondContact CE-ND1 3.14Å; K513-H521 PolarHBondContact NZ-ND1 2.9Å; V517-H521 HydrophobicContact CG1-CB 4.22Å; P519-H521 PolarHBondContact O-N 3.05Å; H521-H524 WeakPolarHBondContact O-CB 2.82Å; H521-H524 PolarHBondContact O-N 3.07Å; H521-E525 IonicContact CE1-OE1 3.93Å; H521-E525 PolarHBondContact CE1-OE1 3.17Å; H521-E525 IonicContact ND1-OE1 3.37Å; H521-E525 PolarHBondContact O-N 3.11Å; H521-E525 VanDerWaalsContact O-N 3.1Å
522L79.1Confident76.9Confident0 Ų024.9 Ų24.90%015%0.145CC..Hα-helixtrans-66-42.5179.2-17861.9000111.6I510 K513 T514 P519 A520 H524 E525 Y526 L548I510-L522 HydrophobicContact CB-CD2 4.4Å; I510-L522 HydrophobicContact CG1-CD2 4.01Å; I510-L522 HydrophobicContact CG2-CD2 4.23Å; K513-L522 HydrophobicContact CD-CD1 4.25Å; T514-L522 HydrophobicContact CG2-CD2 4.29Å; P519-L522 PolarHBondContact O-N 3.45Å; P519-L522 VanDerWaalsContact O-N 3.15Å; A520-L522 PolarHBondContact O-N 3.05Å; L522-H524 PolarHBondContact O-N 3.3Å; L522-E525 WeakPolarHBondContact CD1-OE2 3.44Å; L522-E525 WeakPolarHBondContact O-CB 3.35Å; L522-E525 PolarHBondContact O-N 3.44Å; L522-E525 VanDerWaalsContact O-N 3.1Å; L522-Y526 HydrophobicContact CD1-CD2 4.19Å; L522-Y526 HydrophobicContact CD1-CE2 3.71Å; L522-Y526 HydrophobicContact CD2-CE2 4.27Å; L522-Y526 HydrophobicContact CG-CD2 4.12Å; L522-Y526 HydrophobicContact CG-CE2 3.73Å; L522-Y526 VanDerWaalsContact O-CD2 3.23Å; L522-Y526 WeakPolarHBondContact O-CD2 3.14Å; L522-Y526 PolarHBondContact O-N 3.13Å; L522-Y526 VanDerWaalsContact O-N 3.16Å; L522-L548 HydrophobicContact CD2-CD1 3.63Å; L522-L548 HydrophobicContact CD2-CD2 3.89Å; L522-L548 HydrophobicContact CD2-CG 4.44Å; L522-L548 HydrophobicContact CG-CD1 3.77Å
523I71.6Confident76.6Confident29 Ų2923.9 Ų23.915%0.14914%0.137CC..Hα-helixtrans-57-42.1174.7-67.9164.4000110.5P519 A520 Y526 V527 L548P519-I523 HydrophobicContact CB-CD1 4.26Å; P519-I523 WeakPolarHBondContact O-CG1 3.17Å; P519-I523 PolarHBondContact O-N 2.83Å; A520-I523 PolarHBondContact O-N 3.47Å; I523-Y526 PolarHBondContact O-N 3.32Å; I523-V527 WeakPolarHBondContact O-CG2 3.35Å; I523-V527 PolarHBondContact O-N 2.94Å; I523-L548 HydrophobicContact CD1-CB 4.46Å; I523-L548 HydrophobicContact CG1-CB 3.95Å
524H72.8Confident76Confident25 Ų2526.6 Ų26.612%0.11615%0.151CC..Hα-helixtrans-60.6-44.1175.2178.6-96.7000112.3D191 A193 A520 H521 L522 Y526 V527 E528D191-H524 IonicContact OD2-CE1 2.74Å; D191-H524 PolarHBondContact OD2-CE1 3.08Å; D191-H524 IonicContact OD2-NE2 2.78Å; A193-H524 HydrophobicContact CB-CB 4.14Å; A520-H524 PolarHBondContact O-N 3.3Å; H521-H524 WeakPolarHBondContact O-CB 2.82Å; H521-H524 PolarHBondContact O-N 3.07Å; L522-H524 PolarHBondContact O-N 3.3Å; H524-Y526 PolarHBondContact O-N 2.91Å; H524-V527 WeakPolarHBondContact O-CB 3.42Å; H524-V527 PolarHBondContact O-N 3.34Å; H524-E528 IonicContact CE1-OE2 3.97Å; H524-E528 PolarHBondContact CE1-OE2 3.31Å; H524-E528 VanDerWaalsContact CE1-OE2 3.24Å; H524-E528 IonicContact ND1-OE2 3.61Å; H524-E528 WeakPolarHBondContact O-CB 3.31Å; H524-E528 PolarHBondContact O-N 2.96Å
525E80.3Confident75.5Confident1 Ų132.9 Ų32.91%0.00518%0.18CC..Hα-helixtrans-60.4-40.7178.3-69.6175.9159.200113M504 K513 H521 L522 V527 E528 Y529M504-E525 HydrophobicContact CE-CB 4.01Å; K513-E525 IonicContact NZ-OE1 2.98Å; K513-E525 PolarHBondContact NZ-OE1 2.93Å; K513-E525 IonicContact NZ-OE2 2.76Å; K513-E525 PolarHBondContact NZ-OE2 2.74Å; H521-E525 IonicContact CE1-OE1 3.93Å; H521-E525 PolarHBondContact CE1-OE1 3.17Å; H521-E525 IonicContact ND1-OE1 3.37Å; H521-E525 PolarHBondContact O-N 3.11Å; H521-E525 VanDerWaalsContact O-N 3.1Å; L522-E525 WeakPolarHBondContact CD1-OE2 3.44Å; L522-E525 WeakPolarHBondContact O-CB 3.35Å; L522-E525 PolarHBondContact O-N 3.44Å; L522-E525 VanDerWaalsContact O-N 3.1Å; E525-V527 PolarHBondContact O-N 3.36Å; E525-E528 PolarHBondContact O-N 3.3Å; E525-Y529 HydrophobicContact CB-CD2 4.1Å; E525-Y529 HydrophobicContact CB-CE2 4.04Å; E525-Y529 HydrophobicContact CG-CE2 4.04Å; E525-Y529 WeakPolarHBondContact O-CB 3.33Å; E525-Y529 WeakPolarHBondContact O-CD2 3.37Å; E525-Y529 PolarHBondContact O-N 3.29Å
526Y78.9Confident74.5Confident0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-62.8-30.4175.4-81-84.6000112.7M504 F505 L522 I523 H524 S530 L533 R541 F544 L548M504-Y526 HydrophobicContact CB-CE1 4.35Å; M504-Y526 HydrophobicContact CE-CD1 3.82Å; M504-Y526 HydrophobicContact CE-CD2 3.84Å; M504-Y526 HydrophobicContact CE-CE1 3.97Å; M504-Y526 HydrophobicContact CE-CE2 3.95Å; M504-Y526 HydrophobicContact CE-CG 3.77Å; M504-Y526 PolarHBondContact O-OH 3.27Å; F505-Y526 HydrophobicContact CD1-CE1 4.21Å; F505-Y526 HydrophobicContact CE1-CE1 4.01Å; L522-Y526 HydrophobicContact CD1-CD2 4.19Å; L522-Y526 HydrophobicContact CD1-CE2 3.71Å; L522-Y526 HydrophobicContact CD2-CE2 4.27Å; L522-Y526 HydrophobicContact CG-CD2 4.12Å; L522-Y526 HydrophobicContact CG-CE2 3.73Å; L522-Y526 VanDerWaalsContact O-CD2 3.23Å; L522-Y526 WeakPolarHBondContact O-CD2 3.14Å; L522-Y526 PolarHBondContact O-N 3.13Å; L522-Y526 VanDerWaalsContact O-N 3.16Å; I523-Y526 PolarHBondContact O-N 3.32Å; H524-Y526 PolarHBondContact O-N 2.91Å; Y526-S530 PolarHBondContact O-N 3.38Å; Y526-L533 HydrophobicContact CD1-CD1 4.27Å; Y526-R541 HydrophobicContact CD1-CG 3.87Å; Y526-F544 HydrophobicContact CE1-CB 3.84Å; Y526-L548 HydrophobicContact CD2-CD1 3.71Å; Y526-L548 HydrophobicContact CE2-CD1 3.32Å
527V72.9Confident74.1Confident26 Ų2636.5 Ų36.516%0.15820%0.197CC..Hα-helixtrans-79.9-47.5177.1177.30000110.4I523 H524 E525 Y529 S530 R613I523-V527 WeakPolarHBondContact O-CG2 3.35Å; I523-V527 PolarHBondContact O-N 2.94Å; H524-V527 WeakPolarHBondContact O-CB 3.42Å; H524-V527 PolarHBondContact O-N 3.34Å; E525-V527 PolarHBondContact O-N 3.36Å; V527-Y529 PolarHBondContact O-N 2.81Å; V527-S530 VanDerWaalsContact O-CB 3.3Å; V527-S530 WeakPolarHBondContact O-CB 3.44Å; V527-S530 PolarHBondContact O-N 3.41Å; V527-S530 PolarHBondContact O-OG 3.14Å; V527-R613 HydrophobicContact CG1-CG 3.95Å
528E76.6Confident74.2Confident76 Ų7638.5 Ų38.536%0.35521%0.212SC..Hα-helixtrans-63.6-43.6-178.3-168.2-175.6175.100111.9H524 E525 S530H524-E528 IonicContact CE1-OE2 3.97Å; H524-E528 PolarHBondContact CE1-OE2 3.31Å; H524-E528 VanDerWaalsContact CE1-OE2 3.24Å; H524-E528 IonicContact ND1-OE2 3.61Å; H524-E528 WeakPolarHBondContact O-CB 3.31Å; H524-E528 PolarHBondContact O-N 2.96Å; E525-E528 PolarHBondContact O-N 3.3Å; E528-S530 VanDerWaalsContact C-N 3.33Å
529Y82.2Confident74.7Confident20 Ų2044 Ų448%0.07824%0.239CC..THydrogen-bonded Turntrans-93.511.7-177.4-51.2-37.7000113.6A488 Y489 A492 E525 V527 S531 V532 L533A488-Y529 HydrophobicContact CB-CD2 4.32Å; A488-Y529 HydrophobicContact CB-CE2 3.86Å; Y489-Y529 WeakPolarHBondContact CA-OH 3.5Å; Y489-Y529 WeakPolarHBondContact CB-OH 3.46Å; A492-Y529 HydrophobicContact CB-CD1 3.65Å; A492-Y529 HydrophobicContact CB-CD2 4.3Å; A492-Y529 HydrophobicContact CB-CE1 3.9Å; A492-Y529 HydrophobicContact CB-CE2 4.47Å; A492-Y529 HydrophobicContact CB-CG 3.9Å; E525-Y529 HydrophobicContact CB-CD2 4.1Å; E525-Y529 HydrophobicContact CB-CE2 4.04Å; E525-Y529 HydrophobicContact CG-CE2 4.04Å; E525-Y529 WeakPolarHBondContact O-CB 3.33Å; E525-Y529 WeakPolarHBondContact O-CD2 3.37Å; E525-Y529 PolarHBondContact O-N 3.29Å; V527-Y529 PolarHBondContact O-N 2.81Å; Y529-S531 VanDerWaalsContact C-N 3.29Å; Y529-S531 PolarHBondContact O-N 3.06Å; Y529-V532 PolarHBondContact O-N 3.37Å; Y529-L533 WeakPolarHBondContact O-CG 3.43Å; Y529-L533 PolarHBondContact O-N 3.03Å
530S74.9Confident75.2Confident34 Ų3444.5 Ų44.524%0.23824%0.242CC..Hα-helixtrans-49.4-47.1177.152.90000112.3Y526 V527 E528 V532 L533 D534Y526-S530 PolarHBondContact O-N 3.38Å; V527-S530 VanDerWaalsContact O-CB 3.3Å; V527-S530 WeakPolarHBondContact O-CB 3.44Å; V527-S530 PolarHBondContact O-N 3.41Å; V527-S530 PolarHBondContact O-OG 3.14Å; E528-S530 VanDerWaalsContact C-N 3.33Å; S530-V532 PolarHBondContact O-N 2.99Å; S530-V532 VanDerWaalsContact O-N 3.08Å; S530-L533 PolarHBondContact O-N 3.22Å; S530-L533 VanDerWaalsContact O-N 3.17Å; S530-D534 WeakPolarHBondContact O-CB 3.49Å; S530-D534 PolarHBondContact O-N 3.17Å; S530-D534 VanDerWaalsContact O-OD2 3.12Å
531S78.8Confident76.1Confident81 Ų8143.7 Ų43.757%0.56623%0.231SC*.Hα-helixtrans-60.7-24.1179.461.50000115.2Y529 Q535Y529-S531 VanDerWaalsContact C-N 3.29Å; Y529-S531 PolarHBondContact O-N 3.06Å; S531-Q535 PolarHBondContact O-NE2 3.09Å
532V82.3Confident76.2Confident22 Ų2247.7 Ų47.713%0.13325%0.25CC..Hα-helixtrans-91.5-39.1178.3-177.90000110.4Q497 L500 Y529 S530Q497-V532 HydrophobicContact CG-CG1 3.86Å; L500-V532 HydrophobicContact CD2-CB 4.47Å; L500-V532 HydrophobicContact CD2-CG1 4.02Å; Y529-V532 PolarHBondContact O-N 3.37Å; S530-V532 PolarHBondContact O-N 2.99Å; S530-V532 VanDerWaalsContact O-N 3.08Å
533L79.9Confident76.4Confident1 Ų148.8 Ų48.81%0.00526%0.256CS..Hα-helixtrans-72.3-38.2179.7-67.2169.2000112.7L500 M504 F505 Y526 Y529 S530 Q535 R541L500-L533 HydrophobicContact CD2-CD2 3.88Å; L500-L533 HydrophobicContact CD2-CG 4.27Å; L500-L533 HydrophobicContact CG-CD2 3.94Å; M504-L533 HydrophobicContact CE-CD1 3.96Å; M504-L533 HydrophobicContact SD-CD1 3.83Å; M504-L533 HydrophobicContact SD-CD2 4.02Å; M504-L533 HydrophobicContact SD-CG 4.43Å; F505-L533 HydrophobicContact CZ-CD2 4.29Å; Y526-L533 HydrophobicContact CD1-CD1 4.27Å; Y529-L533 WeakPolarHBondContact O-CG 3.43Å; Y529-L533 PolarHBondContact O-N 3.03Å; S530-L533 PolarHBondContact O-N 3.22Å; S530-L533 VanDerWaalsContact O-N 3.17Å; L533-Q535 PolarHBondContact O-N 2.84Å; L533-R541 HydrophobicContact CB-CG 4.33Å; L533-R541 HydrophobicContact CD1-CG 4.14Å
534D73.2Confident77Confident57 Ų5747.4 Ų47.431%0.30525%0.249SC..Hα-helixtrans-70.1-14.6-174.5-73-28.3000113.9S530 K536 S538 R541S530-D534 WeakPolarHBondContact O-CB 3.49Å; S530-D534 PolarHBondContact O-N 3.17Å; S530-D534 VanDerWaalsContact O-OD2 3.12Å; D534-K536 PolarHBondContact O-N 3.02Å; D534-S538 WeakPolarHBondContact OD1-CA 2.92Å; D534-S538 WeakPolarHBondContact OD1-CB 2.92Å; D534-R541 WeakPolarHBondContact OD1-CD 3.3Å; D534-R541 IonicContact OD1-CZ 3.69Å; D534-R541 IonicContact OD1-NE 3.96Å; D534-R541 PolarHBondContact OD1-NE 3.37Å; D534-R541 IonicContact OD1-NH2 2.77Å; D534-R541 IonicContact OD2-NE 3.81Å
535Q68.4Low77Confident131 Ų13146.6 Ų46.661%0.61225%0.245SC*.Hα-helixtrans-70.4-20.2-178.4-67.2-177.724.600113.6Q497 S531 L533Q497-Q535 VanDerWaalsContact NE2-CD 3.34Å; S531-Q535 PolarHBondContact O-NE2 3.09Å; L533-Q535 PolarHBondContact O-N 2.84Å
536K61Low76.7Confident103 Ų10348.9 Ų48.945%0.44826%0.256SS..Hα-helixtrans-106.1-57.8175.5-73.2-174.8177.2179.10111.9D534D534-K536 PolarHBondContact O-N 3.02Å
537D69.2Low76.8Confident90 Ų9048.9 Ų48.948%0.48126%0.256SS..Hα-helixtrans-146.383-171.1-67.2-56.2000112.3I539 V540 R541D537-I539 PolarHBondContact O-N 2.62Å; D537-V540 HydrophobicContact CB-CB 4.03Å; D537-V540 HydrophobicContact CB-CG2 3.82Å; D537-V540 PolarHBondContact O-N 3.36Å; D537-R541 PolarHBondContact O-N 2.88Å
538S75.2Confident76.9Confident46 Ų4647.7 Ų47.732%0.32225%0.248SC..Hα-helixtrans-61.1-31.9178.599.40000112.6D534 R541 E542D534-S538 WeakPolarHBondContact OD1-CA 2.92Å; D534-S538 WeakPolarHBondContact OD1-CB 2.92Å; S538-R541 PolarHBondContact O-N 3.45Å; S538-E542 WeakPolarHBondContact O-CG 3.35Å; S538-E542 PolarHBondContact O-N 3.2Å
539I79.3Confident76.5Confident116 Ų11644.8 Ų44.860%0.59524%0.236SC*.Hα-helixtrans-65.9-41.1-179.8-60172.1000111.1D537 E542 N543D537-I539 PolarHBondContact O-N 2.62Å; I539-E542 PolarHBondContact O-N 3.34Å; I539-N543 WeakPolarHBondContact O-CB 3.32Å; I539-N543 PolarHBondContact O-N 3.43Å; I539-N543 PolarHBondContact O-ND2 3.11Å
540V84.2Confident75.8Confident20 Ų2045.4 Ų45.412%0.12124%0.241CC..Hα-helixtrans-66.5-43.2179.5176.90000110.2F505 D537 E542 N543 F544 E575F505-V540 HydrophobicContact CB-CG1 4.41Å; F505-V540 HydrophobicContact CD1-CG1 3.95Å; F505-V540 HydrophobicContact CD2-CG1 3.6Å; F505-V540 HydrophobicContact CE1-CG1 4.05Å; F505-V540 HydrophobicContact CE2-CB 4.14Å; F505-V540 HydrophobicContact CE2-CG1 3.68Å; F505-V540 HydrophobicContact CG-CG1 3.74Å; F505-V540 HydrophobicContact CZ-CB 4.26Å; F505-V540 HydrophobicContact CZ-CG1 3.92Å; D537-V540 HydrophobicContact CB-CB 4.03Å; D537-V540 HydrophobicContact CB-CG2 3.82Å; D537-V540 PolarHBondContact O-N 3.36Å; V540-E542 VanDerWaalsContact C-N 3.33Å; V540-E542 PolarHBondContact O-N 3.11Å; V540-N543 WeakPolarHBondContact O-CB 3.49Å; V540-N543 PolarHBondContact O-N 3.31Å; V540-F544 HydrophobicContact CG1-CD2 3.84Å; V540-F544 HydrophobicContact CG1-CE2 3.87Å; V540-F544 WeakPolarHBondContact O-CD2 3.46Å; V540-F544 PolarHBondContact O-N 3.42Å; V540-F544 VanDerWaalsContact O-N 3.09Å; V540-E575 HydrophobicContact CG1-CB 3.92Å; V540-E575 HydrophobicContact CG1-CG 3.84Å; V540-E575 HydrophobicContact CG2-CB 4.14Å; V540-E575 HydrophobicContact CG2-CG 4.32Å
541R84.3Confident75.6Confident24 Ų2444.6 Ų44.69%0.09123%0.234CC..Hα-helixtrans-57.4-47.1174-171.6-1656173.610.1111.5F505 Y526 L533 D534 D537 S538 F544 Q545F505-R541 HydrophobicContact CE1-CB 4.26Å; F505-R541 HydrophobicContact CZ-CB 4.23Å; Y526-R541 HydrophobicContact CD1-CG 3.87Å; L533-R541 HydrophobicContact CB-CG 4.33Å; L533-R541 HydrophobicContact CD1-CG 4.14Å; D534-R541 WeakPolarHBondContact OD1-CD 3.3Å; D534-R541 IonicContact OD1-CZ 3.69Å; D534-R541 IonicContact OD1-NE 3.96Å; D534-R541 PolarHBondContact OD1-NE 3.37Å; D534-R541 IonicContact OD1-NH2 2.77Å; D534-R541 IonicContact OD2-NE 3.81Å; D537-R541 PolarHBondContact O-N 2.88Å; S538-R541 PolarHBondContact O-N 3.45Å; R541-F544 PolarHBondContact O-N 3.46Å; R541-Q545 VanDerWaalsContact O-CB 3.31Å; R541-Q545 WeakPolarHBondContact O-CB 3.47Å; R541-Q545 PolarHBondContact O-N 3.4Å
542E75.9Confident74.9Confident99 Ų9941.7 Ų41.746%0.46322%0.216SC..Hα-helixtrans-60.1-44.7177.6-76175.3-171.400111.9S538 I539 V540 F544 Q545 E546S538-E542 WeakPolarHBondContact O-CG 3.35Å; S538-E542 PolarHBondContact O-N 3.2Å; I539-E542 PolarHBondContact O-N 3.34Å; V540-E542 VanDerWaalsContact C-N 3.33Å; V540-E542 PolarHBondContact O-N 3.11Å; E542-F544 PolarHBondContact O-N 3.4Å; E542-Q545 PolarHBondContact O-N 3.39Å; E542-E546 WeakPolarHBondContact O-CB 3.49Å; E542-E546 PolarHBondContact O-N 3.02Å
543N82.6Confident74Confident24 Ų2445.7 Ų45.713%0.12823%0.233CC..Hα-helixtrans-56.2-49.2176.4-72.8-28.7000112.3I539 V540 F547 S574 E575 V576I539-N543 WeakPolarHBondContact O-CB 3.32Å; I539-N543 PolarHBondContact O-N 3.43Å; I539-N543 PolarHBondContact O-ND2 3.11Å; V540-N543 WeakPolarHBondContact O-CB 3.49Å; V540-N543 PolarHBondContact O-N 3.31Å; N543-F547 VanDerWaalsContact O-CB 3.3Å; N543-F547 WeakPolarHBondContact O-CB 3.39Å; N543-F547 PolarHBondContact O-N 3.32Å; N543-S574 WeakPolarHBondContact CB-OG 3.27Å; N543-E575 PolarHBondContact ND2-N 3.3Å; N543-V576 HydrophobicContact CB-CG2 4.4Å
544F83.5Confident73.4Confident0 Ų046.6 Ų46.60%024%0.238CC..Hα-helixtrans-69.1-38.8179.3-85.1-80.5000112.5F505 L507 I510 Y526 V540 R541 E542 F547 L548 E575 V576F505-F544 HydrophobicContact CB-CD2 4.22Å; F505-F544 HydrophobicContact CB-CE2 3.68Å; F505-F544 HydrophobicContact CB-CZ 4.07Å; F505-F544 AromaticContact CD1-CD2 3.7Å; F505-F544 HydrophobicContact CD1-CD2 3.7Å; F505-F544 HydrophobicContact CD1-CE2 4.06Å; F505-F544 HydrophobicContact CD1-CG 4.32Å; F505-F544 HydrophobicContact CE1-CD2 4.43Å; F505-F544 HydrophobicContact CG-CD2 4.2Å; F505-F544 HydrophobicContact CG-CE2 4.1Å; F505-F544 WeakPolarHBondContact O-CZ 3.39Å; L507-F544 HydrophobicContact CD2-CE1 3.89Å; L507-F544 HydrophobicContact CG-CE1 4.42Å; I510-F544 HydrophobicContact CD1-CD1 3.34Å; I510-F544 HydrophobicContact CD1-CE1 3.61Å; I510-F544 HydrophobicContact CD1-CG 4.49Å; Y526-F544 HydrophobicContact CE1-CB 3.84Å; V540-F544 HydrophobicContact CG1-CD2 3.84Å; V540-F544 HydrophobicContact CG1-CE2 3.87Å; V540-F544 WeakPolarHBondContact O-CD2 3.46Å; V540-F544 PolarHBondContact O-N 3.42Å; V540-F544 VanDerWaalsContact O-N 3.09Å; R541-F544 PolarHBondContact O-N 3.46Å; E542-F544 PolarHBondContact O-N 3.4Å; F544-F547 WeakPolarHBondContact O-CB 3.42Å; F544-F547 PolarHBondContact O-N 2.83Å; F544-L548 VanDerWaalsContact O-CG 3.31Å; F544-L548 WeakPolarHBondContact O-CG 3.25Å; F544-L548 PolarHBondContact O-N 2.83Å; F544-E575 HydrophobicContact CE2-CB 4.3Å; F544-E575 HydrophobicContact CE2-CG 4.09Å; F544-V576 HydrophobicContact CB-CG2 4.45Å; F544-V576 HydrophobicContact CD1-CG2 3.62Å; F544-V576 HydrophobicContact CD2-CG2 3.98Å; F544-V576 HydrophobicContact CE1-CG2 3.76Å; F544-V576 HydrophobicContact CE2-CG2 4.07Å; F544-V576 HydrophobicContact CG-CG2 3.76Å; F544-V576 HydrophobicContact CZ-CG2 3.97Å
545Q74.2Confident73.2Confident8 Ų843.9 Ų43.94%0.03722%0.224CC..Hα-helixtrans-69-38.6178-161.2-168.4-4.800111.5R541 E542 S549 R610R541-Q545 VanDerWaalsContact O-CB 3.31Å; R541-Q545 WeakPolarHBondContact O-CB 3.47Å; R541-Q545 PolarHBondContact O-N 3.4Å; E542-Q545 PolarHBondContact O-N 3.39Å; Q545-S549 WeakPolarHBondContact O-CB 3.11Å; Q545-S549 PolarHBondContact O-N 3.28Å; Q545-S549 PolarHBondContact O-OG 3.23Å; Q545-S549 VanDerWaalsContact O-OG 3.12Å; Q545-R610 VanDerWaalsContact C-NH1 3.28Å; Q545-R610 PolarHBondContact O-NH1 2.77Å
546E74.3Confident72.8Confident49 Ų4938 Ų3823%0.22920%0.198CC..Hα-helixtrans-62.2-49.5171.6-172170.6-163.800109.7E542 L548 S549 L550E542-E546 WeakPolarHBondContact O-CB 3.49Å; E542-E546 PolarHBondContact O-N 3.02Å; E546-L548 PolarHBondContact O-N 3.32Å; E546-S549 WeakPolarHBondContact CA-OG 3.46Å; E546-S549 PolarHBondContact O-N 2.9Å; E546-S549 VanDerWaalsContact O-N 3.11Å; E546-S549 PolarHBondContact O-OG 2.98Å; E546-L550 HydrophobicContact CG-CD1 3.87Å; E546-L550 HydrophobicContact CG-CG 4.03Å; E546-L550 WeakPolarHBondContact O-CB 3.43Å; E546-L550 VanDerWaalsContact O-CG 3.26Å; E546-L550 WeakPolarHBondContact O-CG 3.22Å; E546-L550 PolarHBondContact O-N 3.33Å
547F81.1Confident72.8Confident0 Ų038.6 Ų38.60%020%0.198CC..Hα-helixtrans-52.7-48.8175.7171.5-105.6000113.6L507 I510 N543 F544 S549 L550 N551 I563 L566 Q570 V576L507-F547 HydrophobicContact CD2-CE1 4.33Å; I510-F547 HydrophobicContact CG2-CE1 4.47Å; N543-F547 VanDerWaalsContact O-CB 3.3Å; N543-F547 WeakPolarHBondContact O-CB 3.39Å; N543-F547 PolarHBondContact O-N 3.32Å; F544-F547 WeakPolarHBondContact O-CB 3.42Å; F544-F547 PolarHBondContact O-N 2.83Å; F547-S549 VanDerWaalsContact C-N 3.33Å; F547-S549 PolarHBondContact O-N 3.34Å; F547-L550 PolarHBondContact O-N 3.16Å; F547-N551 WeakPolarHBondContact CD2-ND2 3.44Å; F547-N551 WeakPolarHBondContact CE2-ND2 3.43Å; F547-N551 WeakPolarHBondContact O-CB 3.01Å; F547-N551 PolarHBondContact O-N 3Å; F547-N551 PolarHBondContact O-ND2 2.9Å; F547-I563 HydrophobicContact CE1-CD1 3.69Å; F547-I563 HydrophobicContact CE1-CG1 4.25Å; F547-I563 HydrophobicContact CZ-CD1 3.51Å; F547-I563 HydrophobicContact CZ-CG1 4Å; F547-L566 HydrophobicContact CE2-CB 3.85Å; F547-L566 HydrophobicContact CZ-CB 4.14Å; F547-Q570 HydrophobicContact CD2-CG 3.79Å; F547-Q570 HydrophobicContact CE2-CG 4.44Å; F547-V576 HydrophobicContact CB-CG1 4.32Å; F547-V576 HydrophobicContact CB-CG2 4.07Å; F547-V576 HydrophobicContact CD1-CG1 4.23Å; F547-V576 HydrophobicContact CD2-CG1 3.75Å; F547-V576 HydrophobicContact CE1-CG1 4.48Å; F547-V576 HydrophobicContact CE2-CG1 4.03Å; F547-V576 HydrophobicContact CG-CG1 3.84Å; F547-V576 HydrophobicContact CG-CG2 4.34Å; F547-V576 HydrophobicContact CZ-CG1 4.38Å
548L74.6Confident72.5Confident0 Ų039.4 Ų39.40%020%0.198CC..Hα-helixtrans-65.4-36.3178.8-72.8172.9000112.7I510 T514 L522 I523 Y526 F544 E546 G552 L555I510-L548 HydrophobicContact CD1-CD2 4.48Å; I510-L548 HydrophobicContact CG2-CD2 3.57Å; T514-L548 HydrophobicContact CG2-CD2 4.47Å; L522-L548 HydrophobicContact CD2-CD1 3.63Å; L522-L548 HydrophobicContact CD2-CD2 3.89Å; L522-L548 HydrophobicContact CD2-CG 4.44Å; L522-L548 HydrophobicContact CG-CD1 3.77Å; I523-L548 HydrophobicContact CD1-CB 4.46Å; I523-L548 HydrophobicContact CG1-CB 3.95Å; Y526-L548 HydrophobicContact CD2-CD1 3.71Å; Y526-L548 HydrophobicContact CE2-CD1 3.32Å; F544-L548 VanDerWaalsContact O-CG 3.31Å; F544-L548 WeakPolarHBondContact O-CG 3.25Å; F544-L548 PolarHBondContact O-N 2.83Å; E546-L548 PolarHBondContact O-N 3.32Å; L548-G552 WeakPolarHBondContact O-CA 3.48Å; L548-G552 PolarHBondContact O-N 3.41Å; L548-L555 HydrophobicContact CD2-CD1 3.8Å
549S66.8Low72.2Confident16 Ų1640.4 Ų40.411%0.11220%0.204CC..Hα-helixtrans-73.4-3917865.80000113Q545 E546 F547 N551 R610Q545-S549 WeakPolarHBondContact O-CB 3.11Å; Q545-S549 PolarHBondContact O-N 3.28Å; Q545-S549 PolarHBondContact O-OG 3.23Å; Q545-S549 VanDerWaalsContact O-OG 3.12Å; E546-S549 WeakPolarHBondContact CA-OG 3.46Å; E546-S549 PolarHBondContact O-N 2.9Å; E546-S549 VanDerWaalsContact O-N 3.11Å; E546-S549 PolarHBondContact O-OG 2.98Å; F547-S549 VanDerWaalsContact C-N 3.33Å; F547-S549 PolarHBondContact O-N 3.34Å; S549-N551 VanDerWaalsContact C-N 3.35Å; S549-R610 PolarHBondContact OG-NH1 2.93Å; S549-R610 PolarHBondContact OG-NH2 3.13Å
550L67.9Low71.9Confident33 Ų3336.5 Ų36.517%0.17318%0.183CC..Hα-helixtrans-64.3-45.7178.2-70.4179000109.8E546 F547 H553 M880E546-L550 HydrophobicContact CG-CD1 3.87Å; E546-L550 HydrophobicContact CG-CG 4.03Å; E546-L550 WeakPolarHBondContact O-CB 3.43Å; E546-L550 VanDerWaalsContact O-CG 3.26Å; E546-L550 WeakPolarHBondContact O-CG 3.22Å; E546-L550 PolarHBondContact O-N 3.33Å; F547-L550 PolarHBondContact O-N 3.16Å; L550-H553 PolarHBondContact O-CE1 3.36Å; L550-H553 PolarHBondContact O-ND1 3.05Å; L550-M880 HydrophobicContact CB-SD 4.29Å; L550-M880 HydrophobicContact CD2-CE 3.14Å; L550-M880 HydrophobicContact CD2-CG 3.91Å; L550-M880 HydrophobicContact CD2-SD 3.51Å; L550-M880 VanDerWaalsContact CD2-SD 3.51Å; L550-M880 HydrophobicContact CG-SD 4.48Å
551N71.1Confident71.7Confident17 Ų1735.7 Ų35.79%0.09118%0.177CC..SBendtrans-95.94.9-175.6-59.3-56.3000113.2F547 S549 H553 L554 L555 L566F547-N551 WeakPolarHBondContact CD2-ND2 3.44Å; F547-N551 WeakPolarHBondContact CE2-ND2 3.43Å; F547-N551 WeakPolarHBondContact O-CB 3.01Å; F547-N551 PolarHBondContact O-N 3Å; F547-N551 PolarHBondContact O-ND2 2.9Å; S549-N551 VanDerWaalsContact C-N 3.35Å; N551-H553 PolarHBondContact O-N 3.43Å; N551-H553 VanDerWaalsContact O-N 3.11Å; N551-L554 WeakPolarHBondContact O-CA 3.09Å; N551-L554 WeakPolarHBondContact O-CB 3.16Å; N551-L554 PolarHBondContact O-N 2.65Å; N551-L555 HydrophobicContact CB-CD1 3.85Å; N551-L555 HydrophobicContact CB-CG 3.99Å; N551-L555 VanDerWaalsContact O-CG 3.27Å; N551-L555 WeakPolarHBondContact O-CG 2.86Å; N551-L555 PolarHBondContact O-N 2.91Å; N551-L566 HydrophobicContact CB-CD1 4.22Å
552G63.3Low71.9Confident19 Ų1936.2 Ų36.220%0.19618%0.182CC..THydrogen-bonded Turntrans-60-27.9-173.400000114P519 L548 L554P519-G552 WeakPolarHBondContact CG-O 3.5Å; L548-G552 WeakPolarHBondContact O-CA 3.48Å; L548-G552 PolarHBondContact O-N 3.41Å; G552-L554 VanDerWaalsContact C-N 3.34Å
553H63.5Low72.6Confident106 Ų10631.7 Ų31.749%0.49116%0.161SC..THydrogen-bonded Turntrans-74.3-22.617465.8-82.1000113.5L550 N551 R557L550-H553 PolarHBondContact O-CE1 3.36Å; L550-H553 PolarHBondContact O-ND1 3.05Å; N551-H553 PolarHBondContact O-N 3.43Å; N551-H553 VanDerWaalsContact O-N 3.11Å; H553-R557 WeakPolarHBondContact O-CD 3.39Å
554L67.4Low73Confident21 Ų2131 Ų3111%0.1116%0.158CC..THydrogen-bonded Turntrans-91.3-40.7176.1-56.3176.4000111.2N551 G552 G556 R557 P561 L566 Y1216N551-L554 WeakPolarHBondContact O-CA 3.09Å; N551-L554 WeakPolarHBondContact O-CB 3.16Å; N551-L554 PolarHBondContact O-N 2.65Å; G552-L554 VanDerWaalsContact C-N 3.34Å; L554-G556 PolarHBondContact O-N 3.13Å; L554-R557 PolarHBondContact O-N 2.74Å; L554-P561 HydrophobicContact CB-CG 4.12Å; L554-P561 WeakPolarHBondContact O-CD 3.44Å; L554-L566 HydrophobicContact CD1-CD2 3.87Å; L554-Y1216 HydrophobicContact CD1-CD1 4.31Å; L554-Y1216 HydrophobicContact CD1-CD2 4.15Å; L554-Y1216 HydrophobicContact CD1-CG 3.85Å; L554-Y1216 HydrophobicContact CD2-CD1 3.81Å; L554-Y1216 HydrophobicContact CD2-CE1 4.04Å; L554-Y1216 HydrophobicContact CD2-CG 4.21Å
555L69.1Low73.4Confident0 Ų031.2 Ų31.20%016%0.158CC..THydrogen-bonded Turntrans-69.3115.3-178.1-63.6171.5000109.4T514 P519 L548 N551 F560 P561 I563 L566T514-L555 HydrophobicContact CG2-CB 4.39Å; P519-L555 HydrophobicContact CB-CB 4.21Å; P519-L555 WeakPolarHBondContact CD-O 3.3Å; P519-L555 HydrophobicContact CG-CB 4.09Å; P519-L555 WeakPolarHBondContact CG-O 3.32Å; L548-L555 HydrophobicContact CD2-CD1 3.8Å; N551-L555 HydrophobicContact CB-CD1 3.85Å; N551-L555 HydrophobicContact CB-CG 3.99Å; N551-L555 VanDerWaalsContact O-CG 3.27Å; N551-L555 WeakPolarHBondContact O-CG 2.86Å; N551-L555 PolarHBondContact O-N 2.91Å; L555-F560 HydrophobicContact CD2-CE2 4.49Å; L555-F560 HydrophobicContact CD2-CZ 4.06Å; L555-P561 HydrophobicContact CD2-CG 4.34Å; L555-I563 HydrophobicContact CD2-CD1 3.48Å; L555-I563 VanDerWaalsContact CD2-CD1 3.48Å; L555-L566 HydrophobicContact CD2-CD1 4.19Å
556G59.8Low74.1Confident7 Ų731.3 Ų31.37%0.07216%0.159CC..THydrogen-bonded Turntrans103-9.3-178.300000114.8L554L554-G556 PolarHBondContact O-N 3.13Å
557R62.4Low74.7Confident116 Ų11629 Ų2944%0.43815%0.148SC..SBendtrans-80.1145.4167.2-78.8-175.3166.2-165.6-14.8110.4H553 L554 P559 F560 E1175H553-R557 WeakPolarHBondContact O-CD 3.39Å; L554-R557 PolarHBondContact O-N 2.74Å; R557-P559 CarbonylContact O-C 3.52Å; R557-F560 VanDerWaalsContact O-CA 3.3Å; R557-F560 WeakPolarHBondContact O-CA 3.42Å; R557-F560 PolarHBondContact O-N 3.25Å; R557-E1175 IonicContact NH2-OE2 3.69Å
558Q61.9Low75.2Confident107 Ų10729 Ų2950%0.515%0.148SC..SBendtrans-103.3132.3172.5-72.5-69.5-17.500108.9
559P69.1Low75.7Confident66 Ų6630.3 Ų30.343%0.42916%0.157SC..SBendcis-69.1137.32.429.3-34.6000112.4R557R557-P559 CarbonylContact O-C 3.52Å
560F72.7Confident76.6Confident35 Ų3530.2 Ų30.215%0.15416%0.155CC..PPolyproline II helixtrans-64.3129.8-177.5-169.9-94.9000111K511 T514 E515 L555 R557K511-F560 HydrophobicContact CG-CE1 3.86Å; K511-F560 HydrophobicContact CG-CZ 4.43Å; T514-F560 WeakPolarHBondContact OG1-CE2 3.39Å; T514-F560 VanDerWaalsContact OG1-CZ 3.26Å; T514-F560 WeakPolarHBondContact OG1-CZ 3.26Å; E515-F560 HydrophobicContact CB-CD2 4.31Å; E515-F560 HydrophobicContact CB-CE2 4.3Å; E515-F560 HydrophobicContact CG-CB 4.24Å; E515-F560 HydrophobicContact CG-CD1 3.68Å; E515-F560 HydrophobicContact CG-CD2 3.35Å; E515-F560 HydrophobicContact CG-CE1 3.8Å; E515-F560 HydrophobicContact CG-CE2 3.46Å; E515-F560 VanDerWaalsContact CG-CE2 3.46Å; E515-F560 HydrophobicContact CG-CG 3.46Å; E515-F560 VanDerWaalsContact CG-CG 3.46Å; E515-F560 HydrophobicContact CG-CZ 3.7Å; E515-F560 VanDerWaalsContact OE1-CD1 3.24Å; E515-F560 WeakPolarHBondContact OE1-CD1 3.16Å; L555-F560 HydrophobicContact CD2-CE2 4.49Å; L555-F560 HydrophobicContact CD2-CZ 4.06Å; R557-F560 VanDerWaalsContact O-CA 3.3Å; R557-F560 WeakPolarHBondContact O-CA 3.42Å; R557-F560 PolarHBondContact O-N 3.25Å
561P80.9Confident77.3Confident2 Ų231.7 Ų31.71%0.01317%0.166CC..PPolyproline II helixtrans-70.7149.4-178.531.5-37.9000111.4L554 L555 I563 L566 Y1216L554-P561 HydrophobicContact CB-CG 4.12Å; L554-P561 WeakPolarHBondContact O-CD 3.44Å; L555-P561 HydrophobicContact CD2-CG 4.34Å; P561-I563 PolarHBondContact O-N 3.02Å; P561-I563 VanDerWaalsContact O-N 3.12Å; P561-L566 HydrophobicContact CB-CD1 3.91Å; P561-L566 HydrophobicContact CG-CD1 3.92Å; P561-Y1216 HydrophobicContact CB-CD2 4.29Å; P561-Y1216 HydrophobicContact CB-CE2 3.59Å
562D88.1Confident77.9Confident36 Ų3634.4 Ų34.419%0.19318%0.178CC..  trans-68.8111.1173.8-174.2-7.1000111.1I564 Q565 L566 Y592 Q1213D562-I564 PolarHBondContact O-N 3.24Å; D562-I564 PolarHBondContact OD1-N 3.37Å; D562-Q565 HydrophobicContact CB-CB 4.12Å; D562-Q565 PolarHBondContact O-N 3.46Å; D562-L566 PolarHBondContact O-N 3.04Å; D562-L566 VanDerWaalsContact O-N 3.1Å; D562-Y592 WeakPolarHBondContact OD2-CE1 3.45Å; D562-Q1213 PolarHBondContact OD2-NE2 2.79Å
563I89.9Confident78.9Confident3 Ų339.1 Ų39.12%0.01520%0.204CC..Hα-helixtrans-62.1-32.5-177-159.571.1000112.2L507 I510 K511 F547 L555 P561 L566 G567L507-I563 HydrophobicContact CD2-CG1 4.32Å; I510-I563 HydrophobicContact CG2-CD1 4.13Å; K511-I563 HydrophobicContact CB-CG2 4.19Å; K511-I563 HydrophobicContact CD-CG2 4.21Å; F547-I563 HydrophobicContact CE1-CD1 3.69Å; F547-I563 HydrophobicContact CE1-CG1 4.25Å; F547-I563 HydrophobicContact CZ-CD1 3.51Å; F547-I563 HydrophobicContact CZ-CG1 4Å; L555-I563 HydrophobicContact CD2-CD1 3.48Å; L555-I563 VanDerWaalsContact CD2-CD1 3.48Å; P561-I563 PolarHBondContact O-N 3.02Å; P561-I563 VanDerWaalsContact O-N 3.12Å; I563-L566 PolarHBondContact O-N 3.42Å; I563-G567 PolarHBondContact O-N 2.83Å
564I91.3Very high79.9Confident11 Ų1134.1 Ų34.16%0.05618%0.181CC..Hα-helixtrans-69.7-45.5-178.7-66.4170.3000108.4D562 L566 G567 L568 A580 L583 A584 Y592D562-I564 PolarHBondContact O-N 3.24Å; D562-I564 PolarHBondContact OD1-N 3.37Å; I564-L566 VanDerWaalsContact C-N 3.35Å; I564-L566 PolarHBondContact O-N 2.99Å; I564-G567 WeakPolarHBondContact O-CA 3.37Å; I564-G567 PolarHBondContact O-N 3.22Å; I564-G567 VanDerWaalsContact O-N 3.1Å; I564-L568 WeakPolarHBondContact O-CG 3.4Å; I564-L568 PolarHBondContact O-N 3.25Å; I564-A580 HydrophobicContact CG2-CB 4.34Å; I564-A580 WeakPolarHBondContact CG2-O 3.36Å; I564-L583 HydrophobicContact CD1-CB 3.92Å; I564-L583 HydrophobicContact CD1-CD1 4.48Å; I564-L583 HydrophobicContact CG1-CB 4.32Å; I564-L583 HydrophobicContact CG1-CD1 4.43Å; I564-A584 HydrophobicContact CG2-CB 3.82Å; I564-Y592 HydrophobicContact CB-CE1 3.72Å; I564-Y592 VanDerWaalsContact CD1-OH 3.29Å; I564-Y592 WeakPolarHBondContact CD1-OH 3.33Å; I564-Y592 HydrophobicContact CG2-CD1 4.04Å; I564-Y592 HydrophobicContact CG2-CE1 3.47Å; I564-Y592 VanDerWaalsContact CG2-CE1 3.47Å; I564-Y592 HydrophobicContact CG2-CE2 4.31Å
565Q91.8Very high81Confident4 Ų436 Ų362%0.01919%0.189CC..Hα-helixtrans-62.9-38.9176.7-17456.973.500112.6D562 G567 L568 C569 Y592 L593 Q1213 F1215D562-Q565 HydrophobicContact CB-CB 4.12Å; D562-Q565 PolarHBondContact O-N 3.46Å; Q565-G567 VanDerWaalsContact C-N 3.32Å; Q565-L568 PolarHBondContact O-N 3.13Å; Q565-C569 PolarHBondContact O-SG 3.2Å; Q565-C569 VanDerWaalsContact O-SG 3.4Å; Q565-Y592 HydrophobicContact CB-CD1 4.45Å; Q565-L593 PolarHBondContact NE2-O 3.23Å; Q565-Q1213 HydrophobicContact CG-CG 4.45Å; Q565-F1215 HydrophobicContact CG-CD2 4.23Å
566L88.4Confident82Confident9 Ų936 Ų365%0.04719%0.189CC..Hα-helixtrans-64.9-36.9173.1-68177.1000112.1F547 N551 L554 L555 P561 D562 I563 I564 C569 Y1216F547-L566 HydrophobicContact CE2-CB 3.85Å; F547-L566 HydrophobicContact CZ-CB 4.14Å; N551-L566 HydrophobicContact CB-CD1 4.22Å; L554-L566 HydrophobicContact CD1-CD2 3.87Å; L555-L566 HydrophobicContact CD2-CD1 4.19Å; P561-L566 HydrophobicContact CB-CD1 3.91Å; P561-L566 HydrophobicContact CG-CD1 3.92Å; D562-L566 PolarHBondContact O-N 3.04Å; D562-L566 VanDerWaalsContact O-N 3.1Å; I563-L566 PolarHBondContact O-N 3.42Å; I564-L566 VanDerWaalsContact C-N 3.35Å; I564-L566 PolarHBondContact O-N 2.99Å; L566-C569 WeakPolarHBondContact O-CB 3.33Å; L566-C569 PolarHBondContact O-N 2.86Å; L566-Y1216 HydrophobicContact CD2-CD2 4.2Å
567G88.1Confident83.5Confident0 Ų036 Ų360%019%0.187CC..Hα-helixtrans-65.9-36.9175.600000113I563 I564 Q565 C569 Q570 Y577I563-G567 PolarHBondContact O-N 2.83Å; I564-G567 WeakPolarHBondContact O-CA 3.37Å; I564-G567 PolarHBondContact O-N 3.22Å; I564-G567 VanDerWaalsContact O-N 3.1Å; Q565-G567 VanDerWaalsContact C-N 3.32Å; G567-C569 PolarHBondContact O-N 2.96Å; G567-Q570 VanDerWaalsContact O-CB 3.31Å; G567-Q570 WeakPolarHBondContact O-CB 3.44Å; G567-Q570 PolarHBondContact O-N 2.75Å; G567-Y577 WeakPolarHBondContact O-CA 3.47Å
568L90.4Very high84.9Confident1 Ų135.1 Ų35.11%0.00519%0.188CC..Hα-helixtrans-63.4-24.6175.9-70.6175.4000113.3I564 Q565 Q570 Y577 A580 K581 A584 Y592 K598 M1249I564-L568 WeakPolarHBondContact O-CG 3.4Å; I564-L568 PolarHBondContact O-N 3.25Å; Q565-L568 PolarHBondContact O-N 3.13Å; L568-Q570 VanDerWaalsContact C-N 3.27Å; L568-Q570 PolarHBondContact O-N 3.08Å; L568-Y577 HydrophobicContact CD2-CD2 4.36Å; L568-Y577 HydrophobicContact CD2-CE2 3.94Å; L568-Y577 WeakPolarHBondContact O-CD2 3.49Å; L568-A580 HydrophobicContact CD2-CB 4.46Å; L568-A580 HydrophobicContact CG-CB 4.44Å; L568-K581 HydrophobicContact CD2-CB 4.05Å; L568-A584 HydrophobicContact CD1-CB 4.39Å; L568-Y592 HydrophobicContact CD1-CD1 4.13Å; L568-Y592 HydrophobicContact CD1-CG 4.28Å; L568-K598 PolarHBondContact O-NZ 3.3Å; L568-M1249 HydrophobicContact CD1-SD 4.15Å; L568-M1249 HydrophobicContact CD2-SD 4.4Å
569C86.3Confident86.4Confident28 Ų2832.2 Ų32.219%0.18917%0.174CC..THydrogen-bonded Turntrans-75.9-10.7174.9-620000113.6Q565 L566 G567 W595 F1215Q565-C569 PolarHBondContact O-SG 3.2Å; Q565-C569 VanDerWaalsContact O-SG 3.4Å; L566-C569 WeakPolarHBondContact O-CB 3.33Å; L566-C569 PolarHBondContact O-N 2.86Å; G567-C569 PolarHBondContact O-N 2.96Å; C569-W595 HydrophobicContact CB-CE3 4.49Å; C569-F1215 WeakPolarHBondContact SG-CE2 3.27Å
570Q85.1Confident87.5Confident14 Ų1429 Ų297%0.06515%0.154CC..SBendtrans-76159.8178.9-61.7-57.5-54.200112.4F547 G567 L568 V576 K598F547-Q570 HydrophobicContact CD2-CG 3.79Å; F547-Q570 HydrophobicContact CE2-CG 4.44Å; G567-Q570 VanDerWaalsContact O-CB 3.31Å; G567-Q570 WeakPolarHBondContact O-CB 3.44Å; G567-Q570 PolarHBondContact O-N 2.75Å; L568-Q570 VanDerWaalsContact C-N 3.27Å; L568-Q570 PolarHBondContact O-N 3.08Å; Q570-V576 HydrophobicContact CG-CB 4.31Å; Q570-V576 HydrophobicContact CG-CG1 3.9Å; Q570-K598 PolarHBondContact O-NZ 3.36Å
571P82.6Confident88.5Confident63 Ų6330.5 Ų30.541%0.40916%0.16SC..  trans-56.5145.6175.2-24.734.5000112.2T573 S574 Y577P571-T573 PolarHBondContact O-N 2.97Å; P571-T573 VanDerWaalsContact O-N 3.11Å; P571-S574 WeakPolarHBondContact O-CB 3.46Å; P571-S574 PolarHBondContact O-N 2.85Å; P571-Y577 WeakPolarHBondContact O-CB 3.34Å
572E84.1Confident89Confident74 Ų7434.8 Ų34.835%0.34618%0.182SC..THydrogen-bonded Turntrans-63.2-22.3-178.3-64.7-173.4-179.300114.1Y577 Q578 K599E572-Y577 HydrophobicContact CB-CD1 4.16Å; E572-Y577 HydrophobicContact CB-CE1 4.09Å; E572-Y577 HydrophobicContact CG-CD1 4.26Å; E572-Y577 HydrophobicContact CG-CE1 3.81Å; E572-Q578 PolarHBondContact O-NE2 3.27Å; E572-K599 WeakPolarHBondContact OE1-CE 3.48Å; E572-K599 IonicContact OE1-NZ 2.99Å; E572-K599 PolarHBondContact OE1-NZ 3.23Å; E572-K599 WeakPolarHBondContact OE2-CE 3.4Å; E572-K599 IonicContact OE2-NZ 2.76Å; E572-K599 PolarHBondContact OE2-NZ 3.39Å
573T83.7Confident89.1Confident118 Ų11834.9 Ų34.972%0.72418%0.182SC*.THydrogen-bonded Turntrans-75.2-14.3174.4540000112.9P571P571-T573 PolarHBondContact O-N 2.97Å; P571-T573 VanDerWaalsContact O-N 3.11Å
574S85.4Confident89.1Confident2 Ų235.2 Ų35.21%0.01419%0.186CC..SBendtrans-78.4135.8-179.4-178.50000110.9N543 P571 V576 Y577 Q578N543-S574 WeakPolarHBondContact CB-OG 3.27Å; P571-S574 WeakPolarHBondContact O-CB 3.46Å; P571-S574 PolarHBondContact O-N 2.85Å; S574-V576 PolarHBondContact O-N 3.41Å; S574-V576 PolarHBondContact OG-N 3.17Å; S574-Y577 PolarHBondContact O-N 2.88Å; S574-Q578 PolarHBondContact O-N 2.81Å
575E89.4Confident89Confident61 Ų6141.3 Ų41.329%0.28521%0.214SC..Hα-helixtrans-60.3-34.4173.9-174.361.3-162.500111.6V540 N543 F544 Y577 Q578 Q579V540-E575 HydrophobicContact CG1-CB 3.92Å; V540-E575 HydrophobicContact CG1-CG 3.84Å; V540-E575 HydrophobicContact CG2-CB 4.14Å; V540-E575 HydrophobicContact CG2-CG 4.32Å; N543-E575 PolarHBondContact ND2-N 3.3Å; F544-E575 HydrophobicContact CE2-CB 4.3Å; F544-E575 HydrophobicContact CE2-CG 4.09Å; E575-Y577 VanDerWaalsContact C-N 3.3Å; E575-Y577 PolarHBondContact O-N 2.82Å; E575-Q578 PolarHBondContact O-N 3.11Å; E575-Q579 HydrophobicContact CG-CG 4.48Å; E575-Q579 WeakPolarHBondContact O-CG 3.35Å; E575-Q579 PolarHBondContact O-N 3.19Å
576V91.1Very high88.8Confident0 Ų047.3 Ų47.30%024%0.242CC..Hα-helixtrans-57.3-44.7176.61770000110.9L507 N543 F544 F547 Q570 S574 A580L507-V576 HydrophobicContact CD2-CG1 4.18Å; N543-V576 HydrophobicContact CB-CG2 4.4Å; F544-V576 HydrophobicContact CB-CG2 4.45Å; F544-V576 HydrophobicContact CD1-CG2 3.62Å; F544-V576 HydrophobicContact CD2-CG2 3.98Å; F544-V576 HydrophobicContact CE1-CG2 3.76Å; F544-V576 HydrophobicContact CE2-CG2 4.07Å; F544-V576 HydrophobicContact CG-CG2 3.76Å; F544-V576 HydrophobicContact CZ-CG2 3.97Å; F547-V576 HydrophobicContact CB-CG1 4.32Å; F547-V576 HydrophobicContact CB-CG2 4.07Å; F547-V576 HydrophobicContact CD1-CG1 4.23Å; F547-V576 HydrophobicContact CD2-CG1 3.75Å; F547-V576 HydrophobicContact CE1-CG1 4.48Å; F547-V576 HydrophobicContact CE2-CG1 4.03Å; F547-V576 HydrophobicContact CG-CG1 3.84Å; F547-V576 HydrophobicContact CG-CG2 4.34Å; F547-V576 HydrophobicContact CZ-CG1 4.38Å; Q570-V576 HydrophobicContact CG-CB 4.31Å; Q570-V576 HydrophobicContact CG-CG1 3.9Å; S574-V576 PolarHBondContact O-N 3.41Å; S574-V576 PolarHBondContact OG-N 3.17Å; V576-A580 VanDerWaalsContact O-CB 3.26Å; V576-A580 WeakPolarHBondContact O-CB 3.32Å; V576-A580 PolarHBondContact O-N 2.74Å
577Y91.4Very high88.7Confident7 Ų751.5 Ų51.53%0.02726%0.262CS..Hα-helixtrans-65.4-43.6178.1171.7-98.9000111.4G567 L568 P571 E572 S574 E575 Q579 A580 K581 E594 K598G567-Y577 WeakPolarHBondContact O-CA 3.47Å; L568-Y577 HydrophobicContact CD2-CD2 4.36Å; L568-Y577 HydrophobicContact CD2-CE2 3.94Å; L568-Y577 WeakPolarHBondContact O-CD2 3.49Å; P571-Y577 WeakPolarHBondContact O-CB 3.34Å; E572-Y577 HydrophobicContact CB-CD1 4.16Å; E572-Y577 HydrophobicContact CB-CE1 4.09Å; E572-Y577 HydrophobicContact CG-CD1 4.26Å; E572-Y577 HydrophobicContact CG-CE1 3.81Å; S574-Y577 PolarHBondContact O-N 2.88Å; E575-Y577 VanDerWaalsContact C-N 3.3Å; E575-Y577 PolarHBondContact O-N 2.82Å; Y577-Q579 PolarHBondContact O-N 3.42Å; Y577-A580 PolarHBondContact O-N 3.32Å; Y577-K581 HydrophobicContact CE1-CD 3.86Å; Y577-K581 VanDerWaalsContact O-CB 3.25Å; Y577-K581 WeakPolarHBondContact O-CB 3.38Å; Y577-K581 PolarHBondContact O-N 3.42Å; Y577-K581 PolarHBondContact OH-NZ 2.78Å; Y577-E594 WeakPolarHBondContact CE2-OE1 3.32Å; Y577-E594 VanDerWaalsContact OH-CD 3.24Å; Y577-E594 PolarHBondContact OH-OE1 3.05Å; Y577-E594 PolarHBondContact OH-OE2 2.88Å; Y577-K598 VanDerWaalsContact CD2-NZ 3.32Å
578Q91.9Very high88Confident97 Ų9761 Ų6145%0.45331%0.306SS..Hα-helixtrans-64.3-42.7-177.8-65-179.317.200111.5E572 S574 E575 L582E572-Q578 PolarHBondContact O-NE2 3.27Å; S574-Q578 PolarHBondContact O-N 2.81Å; E575-Q578 PolarHBondContact O-N 3.11Å; Q578-L582 WeakPolarHBondContact O-CB 3.39Å; Q578-L582 PolarHBondContact O-N 2.86Å; Q578-L582 VanDerWaalsContact O-N 3.09Å
579Q93.3Very high87.1Confident45 Ų4565 Ų6521%0.2135%0.348CS..Hα-helixtrans-65.8-47.1174.3-69.9-171.115.800112.2F505 L507 E575 Y577 K581 L582 L583F505-Q579 VanDerWaalsContact O-CD 3.27Å; F505-Q579 PolarHBondContact O-NE2 3.04Å; F505-Q579 PolarHBondContact O-OE1 3.26Å; L507-Q579 HydrophobicContact CD1-CB 3.88Å; L507-Q579 HydrophobicContact CG-CB 4.46Å; E575-Q579 HydrophobicContact CG-CG 4.48Å; E575-Q579 WeakPolarHBondContact O-CG 3.35Å; E575-Q579 PolarHBondContact O-N 3.19Å; Y577-Q579 PolarHBondContact O-N 3.42Å; Q579-K581 VanDerWaalsContact C-N 3.31Å; Q579-K581 PolarHBondContact O-N 2.94Å; Q579-L582 PolarHBondContact O-N 2.74Å; Q579-L582 VanDerWaalsContact O-N 3.16Å; Q579-L583 WeakPolarHBondContact O-CG 3.38Å; Q579-L583 PolarHBondContact O-N 3.01Å
580A92.3Very high86.6Confident0 Ų065.8 Ų65.80%036%0.356CS..Hα-helixtrans-59.5-43178.700000111.6L507 I564 L568 V576 Y577 L582 L583 A584L507-A580 HydrophobicContact CD1-CB 3.91Å; I564-A580 HydrophobicContact CG2-CB 4.34Å; I564-A580 WeakPolarHBondContact CG2-O 3.36Å; L568-A580 HydrophobicContact CD2-CB 4.46Å; L568-A580 HydrophobicContact CG-CB 4.44Å; V576-A580 VanDerWaalsContact O-CB 3.26Å; V576-A580 WeakPolarHBondContact O-CB 3.32Å; V576-A580 PolarHBondContact O-N 2.74Å; Y577-A580 PolarHBondContact O-N 3.32Å; A580-L582 VanDerWaalsContact C-N 3.34Å; A580-L582 PolarHBondContact O-N 3.1Å; A580-L583 PolarHBondContact O-N 3.48Å; A580-A584 VanDerWaalsContact O-CB 3.27Å; A580-A584 WeakPolarHBondContact O-CB 3.48Å; A580-A584 PolarHBondContact O-N 2.81Å
581K92.3Very high86.7Confident66 Ų6666.2 Ų66.229%0.28736%0.358SS..Hα-helixtrans-62.3-40.2176.3-173175-164.4157.90112.6L568 Y577 Q579 Q585 M1249L568-K581 HydrophobicContact CD2-CB 4.05Å; Y577-K581 HydrophobicContact CE1-CD 3.86Å; Y577-K581 VanDerWaalsContact O-CB 3.25Å; Y577-K581 WeakPolarHBondContact O-CB 3.38Å; Y577-K581 PolarHBondContact O-N 3.42Å; Y577-K581 PolarHBondContact OH-NZ 2.78Å; Q579-K581 VanDerWaalsContact C-N 3.31Å; Q579-K581 PolarHBondContact O-N 2.94Å; K581-Q585 VanDerWaalsContact O-CG 3.26Å; K581-Q585 WeakPolarHBondContact O-CG 3.3Å; K581-Q585 PolarHBondContact O-N 3.25Å; K581-Q585 VanDerWaalsContact O-N 3.1Å; K581-M1249 HydrophobicContact CG-CE 4.26Å
582L92.5Very high87.1Confident91 Ų9163.9 Ų63.948%0.47634%0.341SS..Hα-helixtrans-66.9-43.3177.8-178.8144.9000111.5Q578 Q579 A580 Q585 Q586Q578-L582 WeakPolarHBondContact O-CB 3.39Å; Q578-L582 PolarHBondContact O-N 2.86Å; Q578-L582 VanDerWaalsContact O-N 3.09Å; Q579-L582 PolarHBondContact O-N 2.74Å; Q579-L582 VanDerWaalsContact O-N 3.16Å; A580-L582 VanDerWaalsContact C-N 3.34Å; A580-L582 PolarHBondContact O-N 3.1Å; L582-Q585 PolarHBondContact O-N 2.78Å; L582-Q586 WeakPolarHBondContact O-CG 3.38Å; L582-Q586 PolarHBondContact O-N 3.5Å
583L90.7Very high87.5Confident38 Ų3860.3 Ų60.320%0.19932%0.324CS..Hα-helixtrans-65.1-43.9175.7-67.9173.6000111.6L507 I564 Q579 A580 Q585 Q586 E587L507-L583 HydrophobicContact CB-CD1 4.27Å; L507-L583 HydrophobicContact CD1-CD1 4.14Å; I564-L583 HydrophobicContact CD1-CB 3.92Å; I564-L583 HydrophobicContact CD1-CD1 4.48Å; I564-L583 HydrophobicContact CG1-CB 4.32Å; I564-L583 HydrophobicContact CG1-CD1 4.43Å; Q579-L583 WeakPolarHBondContact O-CG 3.38Å; Q579-L583 PolarHBondContact O-N 3.01Å; A580-L583 PolarHBondContact O-N 3.48Å; L583-Q585 PolarHBondContact O-N 2.97Å; L583-Q586 PolarHBondContact O-N 2.86Å; L583-E587 PolarHBondContact O-N 2.88Å
584A89.3Confident87.8Confident11 Ų1155.7 Ų55.79%0.09129%0.294CS..Hα-helixtrans-59.1-34.9176.600000112.8I564 L568 A580 Y592I564-A584 HydrophobicContact CG2-CB 3.82Å; L568-A584 HydrophobicContact CD1-CB 4.39Å; A580-A584 VanDerWaalsContact O-CB 3.27Å; A580-A584 WeakPolarHBondContact O-CB 3.48Å; A580-A584 PolarHBondContact O-N 2.81Å; A584-Y592 HydrophobicContact CB-CD2 3.6Å; A584-Y592 HydrophobicContact CB-CE2 3.91Å; A584-Y592 HydrophobicContact CB-CG 3.98Å
585Q88.7Confident88Confident139 Ų13956.5 Ų56.565%0.6530%0.297SS*.Hα-helixtrans-76.1-22176.9-74.2176-6.500113.6K581 L582 L583K581-Q585 VanDerWaalsContact O-CG 3.26Å; K581-Q585 WeakPolarHBondContact O-CG 3.3Å; K581-Q585 PolarHBondContact O-N 3.25Å; K581-Q585 VanDerWaalsContact O-N 3.1Å; L582-Q585 PolarHBondContact O-N 2.78Å; L583-Q585 PolarHBondContact O-N 2.97Å
586Q88.8Confident87.8Confident129 Ų12955.4 Ų55.460%0.60329%0.293SS*.Hα-helixtrans-84.7-27.7179.1-72.81760.800112.6L582 L583 E588L582-Q586 WeakPolarHBondContact O-CG 3.38Å; L582-Q586 PolarHBondContact O-N 3.5Å; L583-Q586 PolarHBondContact O-N 2.86Å; Q586-E588 PolarHBondContact O-N 2.83Å
587E85.4Confident87.3Confident98 Ų9855.8 Ų55.846%0.45830%0.295SS..SBendtrans-8098.7178.4-71.3-171.7161.100112L583 G589 A590 Y592L583-E587 PolarHBondContact O-N 2.88Å; E587-G589 PolarHBondContact O-N 3.11Å; E587-A590 HydrophobicContact CB-CB 4.03Å; E587-Y592 HydrophobicContact CB-CE2 4.46Å; E587-Y592 WeakPolarHBondContact OE2-CE2 3.12Å; E587-Y592 PolarHBondContact OE2-OH 3Å
588E72.7Confident86.7Confident199 Ų19956.1 Ų56.193%0.9330%0.297SS*.THydrogen-bonded Turntrans-67.6118.9174.7-70.5-171.4169.900111.6Q586Q586-E588 PolarHBondContact O-N 2.83Å
589G71.6Confident85.5Confident86 Ų8658 Ų5889%0.88730%0.303SS*.THydrogen-bonded Turntrans97.6-2.217300000115.8E587E587-G589 PolarHBondContact O-N 3.11Å
590A77.4Confident83.7Confident44 Ų4458.7 Ų58.736%0.36431%0.313SS..  trans-72.1150.4174.200000112.3E587 Y592E587-A590 HydrophobicContact CB-CB 4.03Å; A590-Y592 HydrophobicContact CB-CD2 3.75Å; A590-Y592 HydrophobicContact CB-CE2 3.3Å
591F85.9Confident82Confident23 Ų2362.9 Ų62.910%0.10133%0.334CS..  trans-100.493.2179.4-168.5-80.3000109.8L593 W1203 Q1213 K1248F591-L593 HydrophobicContact CE1-CD1 4.4Å; F591-L593 HydrophobicContact CE1-CD2 3.89Å; F591-L593 HydrophobicContact CE1-CG 4.15Å; F591-L593 HydrophobicContact CZ-CD2 4.47Å; F591-W1203 HydrophobicContact CD1-CG 4.37Å; F591-W1203 HydrophobicContact CE1-CB 4.3Å; F591-W1203 AromaticContact CE1-CD1 3.63Å; F591-W1203 AromaticContact CE1-CD2 3.76Å; F591-W1203 HydrophobicContact CE1-CD2 3.76Å; F591-W1203 AromaticContact CE1-CE2 3.88Å; F591-W1203 HydrophobicContact CE1-CE3 4.47Å; F591-W1203 AromaticContact CE1-CG 3.63Å; F591-W1203 HydrophobicContact CE1-CG 3.63Å; F591-W1203 AromaticContact CE1-NE1 3.74Å; F591-W1203 AromaticContact CZ-CD1 3.41Å; F591-W1203 VanDerWaalsContact CZ-CD1 3.41Å; F591-W1203 HydrophobicContact CZ-CD2 4.33Å; F591-W1203 AromaticContact CZ-CG 3.89Å; F591-W1203 HydrophobicContact CZ-CG 3.89Å; F591-W1203 AromaticContact CZ-NE1 3.57Å; F591-Q1213 HydrophobicContact CB-CB 4.44Å; F591-Q1213 HydrophobicContact CD1-CB 3.88Å; F591-Q1213 HydrophobicContact CD1-CG 4.43Å; F591-Q1213 VanDerWaalsContact O-CG 3.29Å; F591-Q1213 WeakPolarHBondContact O-CG 3.13Å; F591-Q1213 PolarHBondContact O-NE2 3.42Å; F591-K1248 HydrophobicContact CD2-CD 4.18Å; F591-K1248 HydrophobicContact CE2-CD 3.66Å; F591-K1248 HydrophobicContact CE2-CG 4.37Å; F591-K1248 HydrophobicContact CZ-CD 4.09Å; F591-K1248 HydrophobicContact CZ-CG 4.45Å
592Y92.1Very high80.1Confident13 Ų1369.3 Ų69.35%0.05136%0.356CS..  trans-109.1149.7177.7-69.4-64.5000112.8D562 I564 Q565 L568 A584 E587 A590 M1249D562-Y592 WeakPolarHBondContact OD2-CE1 3.45Å; I564-Y592 HydrophobicContact CB-CE1 3.72Å; I564-Y592 VanDerWaalsContact CD1-OH 3.29Å; I564-Y592 WeakPolarHBondContact CD1-OH 3.33Å; I564-Y592 HydrophobicContact CG2-CD1 4.04Å; I564-Y592 HydrophobicContact CG2-CE1 3.47Å; I564-Y592 VanDerWaalsContact CG2-CE1 3.47Å; I564-Y592 HydrophobicContact CG2-CE2 4.31Å; Q565-Y592 HydrophobicContact CB-CD1 4.45Å; L568-Y592 HydrophobicContact CD1-CD1 4.13Å; L568-Y592 HydrophobicContact CD1-CG 4.28Å; A584-Y592 HydrophobicContact CB-CD2 3.6Å; A584-Y592 HydrophobicContact CB-CE2 3.91Å; A584-Y592 HydrophobicContact CB-CG 3.98Å; E587-Y592 HydrophobicContact CB-CE2 4.46Å; E587-Y592 WeakPolarHBondContact OE2-CE2 3.12Å; E587-Y592 PolarHBondContact OE2-OH 3Å; A590-Y592 HydrophobicContact CB-CD2 3.75Å; A590-Y592 HydrophobicContact CB-CE2 3.3Å; Y592-M1249 PolarHBondContact O-N 2.99Å
593L91.3Very high78.3Confident0 Ų069.4 Ų69.40%036%0.357CS..EExtended strand (participates in β ladder)trans-120.7130-179.9-61.7168.7000110.6Q565 F591 W1203 F1215 Y1234 L1246 Q1247 K1248Q565-L593 PolarHBondContact NE2-O 3.23Å; F591-L593 HydrophobicContact CE1-CD1 4.4Å; F591-L593 HydrophobicContact CE1-CD2 3.89Å; F591-L593 HydrophobicContact CE1-CG 4.15Å; F591-L593 HydrophobicContact CZ-CD2 4.47Å; L593-W1203 HydrophobicContact CD1-CD2 4.45Å; L593-W1203 HydrophobicContact CD1-CE3 4.07Å; L593-W1203 HydrophobicContact CD1-CH2 3.14Å; L593-W1203 HydrophobicContact CD1-CZ2 3.55Å; L593-W1203 HydrophobicContact CD1-CZ3 3.43Å; L593-W1203 VanDerWaalsContact CD1-CZ3 3.43Å; L593-W1203 HydrophobicContact CD2-CZ2 4.44Å; L593-F1215 HydrophobicContact CB-CD2 4.49Å; L593-F1215 HydrophobicContact CD1-CB 4.25Å; L593-F1215 HydrophobicContact CD1-CD2 4.31Å; L593-Y1234 HydrophobicContact CD2-CD2 4.14Å; L593-Y1234 HydrophobicContact CD2-CE2 3.95Å; L593-L1246 HydrophobicContact CD1-CD1 4.29Å; L593-Q1247 WeakPolarHBondContact CA-O 3.32Å; L593-K1248 HydrophobicContact CD2-CB 4.31Å
594E90.8Very high76.7Confident21 Ų2169.7 Ų69.710%0.09836%0.358CS..EExtended strand (participates in β ladder)trans-94.9128.7170.4-173.565.5-152.400109.8Y577 I596 K598 L1246 Q1247 M1249Y577-E594 WeakPolarHBondContact CE2-OE1 3.32Å; Y577-E594 VanDerWaalsContact OH-CD 3.24Å; Y577-E594 PolarHBondContact OH-OE1 3.05Å; Y577-E594 PolarHBondContact OH-OE2 2.88Å; E594-I596 PolarHBondContact O-N 2.81Å; E594-K598 IonicContact OE1-NZ 3.6Å; E594-K598 PolarHBondContact OE1-NZ 2.78Å; E594-L1246 CarbonylContact O-C 3.59Å; E594-L1246 WeakPolarHBondContact O-CA 3.49Å; E594-Q1247 PolarHBondContact N-O 3.11Å; E594-Q1247 PolarHBondContact O-N 3.4Å; E594-M1249 HydrophobicContact CB-CE 4.05Å; E594-M1249 HydrophobicContact CB-CG 4.01Å; E594-M1249 HydrophobicContact CB-SD 4.45Å; E594-M1249 HydrophobicContact CG-CE 4.25Å; E594-M1249 WeakPolarHBondContact OE2-CE 3.26Å
595W89.2Confident75.2Confident18 Ų1869.7 Ų69.77%0.06836%0.358CS..EExtended strand (participates in β ladder)trans-87.4104.9172.9-178.315.3000110.3C569 N597 K598 M601 I1242 Y1244 L1246C569-W595 HydrophobicContact CB-CE3 4.49Å; W595-N597 PolarHBondContact NE1-OD1 3.14Å; W595-K598 HydrophobicContact CB-CB 4.46Å; W595-K598 HydrophobicContact CB-CD 4.43Å; W595-K598 HydrophobicContact CD2-CB 3.58Å; W595-K598 HydrophobicContact CE3-CB 3.72Å; W595-K598 HydrophobicContact CG-CB 3.93Å; W595-K598 HydrophobicContact CH2-CB 4.48Å; W595-K598 HydrophobicContact CZ2-CB 4.36Å; W595-K598 HydrophobicContact CZ3-CB 4.17Å; W595-K598 VanDerWaalsContact O-CD 3.29Å; W595-K598 WeakPolarHBondContact O-CD 3.26Å; W595-K598 WeakPolarHBondContact O-CG 3.12Å; W595-M601 HydrophobicContact CH2-CG 4.23Å; W595-M601 HydrophobicContact CZ2-CG 4.12Å; W595-I1242 HydrophobicContact CH2-CG2 4.42Å; W595-I1242 HydrophobicContact CZ2-CG2 4.06Å; W595-Y1244 HydrophobicContact CD2-CD1 4.22Å; W595-Y1244 HydrophobicContact CD2-CE1 4.47Å; W595-Y1244 AromaticContact CE2-CD1 3.77Å; W595-Y1244 HydrophobicContact CH2-CD1 4.45Å; W595-Y1244 AromaticContact CH2-CE1 3.91Å; W595-Y1244 HydrophobicContact CH2-CE1 3.91Å; W595-Y1244 AromaticContact CZ2-CD1 3.91Å; W595-Y1244 HydrophobicContact CZ2-CD1 3.91Å; W595-Y1244 AromaticContact CZ2-CE1 3.78Å; W595-Y1244 HydrophobicContact CZ2-CE1 3.78Å; W595-Y1244 HydrophobicContact CZ3-CE1 4.31Å; W595-Y1244 AromaticContact NE1-CD1 3.98Å; W595-L1246 HydrophobicContact CB-CD2 3.94Å; W595-L1246 HydrophobicContact CG-CD2 4.12Å
596I85.4Confident74.2Confident38 Ų3869.1 Ų69.120%0.19535%0.35CS..G310 helixtrans-71.5-50.4-169.8-62.4163.8000111.7E594 K598 N950 V1245 Q1247E594-I596 PolarHBondContact O-N 2.81Å; I596-K598 PolarHBondContact O-N 3.14Å; I596-N950 WeakPolarHBondContact CG2-O 3.46Å; I596-V1245 HydrophobicContact CD1-CG1 4.05Å; I596-V1245 PolarHBondContact N-O 3.43Å; I596-Q1247 HydrophobicContact CD1-CB 3.53Å; I596-Q1247 HydrophobicContact CD1-CG 4.43Å; I596-Q1247 HydrophobicContact CG1-CB 4.03Å
597N80.6Confident73.3Confident8 Ų864.8 Ų64.84%0.04333%0.33CS..G310 helixtrans-84.616.5-172.570.2-40.7000113.9W595 K599 S600 D952 L1243 V1245W595-N597 PolarHBondContact NE1-OD1 3.14Å; N597-K599 PolarHBondContact O-N 2.9Å; N597-K599 VanDerWaalsContact O-N 3.15Å; N597-S600 PolarHBondContact O-N 2.79Å; N597-S600 PolarHBondContact O-OG 3.03Å; N597-D952 HydrophobicContact CB-CB 3.8Å; N597-D952 WeakPolarHBondContact CB-OD1 3.26Å; N597-D952 PolarHBondContact ND2-OD1 3.13Å; N597-L1243 PolarHBondContact ND2-O 2.71Å; N597-L1243 PolarHBondContact OD1-O 3.25Å; N597-V1245 HydrophobicContact CB-CG2 4.45Å; N597-V1245 PolarHBondContact OD1-N 3.49Å
598K77.9Confident72.7Confident15 Ų1562.6 Ų62.67%0.06532%0.324CS..G310 helixtrans-62.5-21.6178.869.5-172.7172.8-167.90114.7L568 Q570 Y577 E594 W595 I596 S600 M601L568-K598 PolarHBondContact O-NZ 3.3Å; Q570-K598 PolarHBondContact O-NZ 3.36Å; Y577-K598 VanDerWaalsContact CD2-NZ 3.32Å; E594-K598 IonicContact OE1-NZ 3.6Å; E594-K598 PolarHBondContact OE1-NZ 2.78Å; W595-K598 HydrophobicContact CB-CB 4.46Å; W595-K598 HydrophobicContact CB-CD 4.43Å; W595-K598 HydrophobicContact CD2-CB 3.58Å; W595-K598 HydrophobicContact CE3-CB 3.72Å; W595-K598 HydrophobicContact CG-CB 3.93Å; W595-K598 HydrophobicContact CH2-CB 4.48Å; W595-K598 HydrophobicContact CZ2-CB 4.36Å; W595-K598 HydrophobicContact CZ3-CB 4.17Å; W595-K598 VanDerWaalsContact O-CD 3.29Å; W595-K598 WeakPolarHBondContact O-CD 3.26Å; W595-K598 WeakPolarHBondContact O-CG 3.12Å; I596-K598 PolarHBondContact O-N 3.14Å; K598-S600 PolarHBondContact O-N 3.41Å; K598-M601 WeakPolarHBondContact O-CB 3.5Å; K598-M601 PolarHBondContact O-N 3Å
599K66.5Low72.6Confident137 Ų13753.9 Ų53.960%0.59628%0.284SS*.G310 helixtrans-71.2-27.4-176.9-69.4179.7179.6171.50114.3E572 N597 M601E572-K599 WeakPolarHBondContact OE1-CE 3.48Å; E572-K599 IonicContact OE1-NZ 2.99Å; E572-K599 PolarHBondContact OE1-NZ 3.23Å; E572-K599 WeakPolarHBondContact OE2-CE 3.4Å; E572-K599 IonicContact OE2-NZ 2.76Å; E572-K599 PolarHBondContact OE2-NZ 3.39Å; N597-K599 PolarHBondContact O-N 2.9Å; N597-K599 VanDerWaalsContact O-N 3.15Å; K599-M601 VanDerWaalsContact C-N 3.28Å
600S56.3Low72.3Confident58 Ų5852.5 Ų52.541%0.40625%0.252SS..THydrogen-bonded Turntrans-77.3-19.4178.959.30000112.7N597 K598 R602 D952N597-S600 PolarHBondContact O-N 2.79Å; N597-S600 PolarHBondContact O-OG 3.03Å; K598-S600 PolarHBondContact O-N 3.41Å; S600-R602 PolarHBondContact O-N 2.93Å; S600-D952 WeakPolarHBondContact CB-OD2 3.3Å; S600-D952 PolarHBondContact OG-OD2 3.25Å
601M57Low72Confident89 Ų8951.4 Ų51.444%0.43824%0.241SC..  trans-68.881.2169.3-63-64.4-71.800109.3W595 K598 K599 N603 I1242W595-M601 HydrophobicContact CH2-CG 4.23Å; W595-M601 HydrophobicContact CZ2-CG 4.12Å; K598-M601 WeakPolarHBondContact O-CB 3.5Å; K598-M601 PolarHBondContact O-N 3Å; K599-M601 VanDerWaalsContact C-N 3.28Å; M601-N603 PolarHBondContact O-N 2.73Å; M601-I1242 HydrophobicContact CE-CD1 3.84Å; M601-I1242 HydrophobicContact CE-CG1 3.86Å; M601-I1242 HydrophobicContact CE-CG2 4.02Å; M601-I1242 HydrophobicContact SD-CG2 4.22Å
602R52.5Low71.1Confident200 Ų20050.3 Ų50.376%0.75524%0.236SC*.  trans-69.8125.8170.7-73.3-178.6174.5178.5-0.8108.1S600 L604S600-R602 PolarHBondContact O-N 2.93Å; R602-L604 PolarHBondContact O-N 3.21Å
603N53.7Low69.8Low94 Ų9455.8 Ų55.850%0.50326%0.257SS..  trans-49.4112.6163.7-94.5-14.9000108.5M601 S605 K911M601-N603 PolarHBondContact O-N 2.73Å; N603-S605 VanDerWaalsContact C-N 3.29Å; N603-K911 PolarHBondContact O-NZ 2.89Å
604L57.2Low68.7Low43 Ų4356.9 Ų56.923%0.22526%0.263CS..  trans-70.5-33.2-177-68.1-174.3000110.3R602 R606 W907 S915R602-L604 PolarHBondContact O-N 3.21Å; L604-R606 PolarHBondContact O-N 2.67Å; L604-W907 HydrophobicContact CB-CE3 4.02Å; L604-W907 HydrophobicContact CB-CZ3 3.68Å; L604-S915 WeakPolarHBondContact CD2-OG 3.26Å
605S58.5Low68.1Low11 Ų1156 Ų568%0.07726%0.259CS..EExtended strand (participates in β ladder)trans-62.4127.6171.651.70000110.6N603 V608 R905 I906N603-S605 VanDerWaalsContact C-N 3.29Å; S605-V608 WeakPolarHBondContact OG-CG2 3.42Å; S605-R905 PolarHBondContact OG-NH1 3.4Å; S605-I906 CarbonylContact C-O 3.57Å; S605-I906 WeakPolarHBondContact CA-O 3.35Å
606R67.7Low68Low128 Ų12855.1 Ų55.148%0.48326%0.255SS..EExtended strand (participates in β ladder)trans-67.3-41.2174.3175-176.7170.3106.40.2111.2L604 I906L604-R606 PolarHBondContact O-N 2.67Å; R606-I906 PolarHBondContact N-O 3.26Å
607L69.6Low68.2Low38 Ų3855.5 Ų55.520%0.19926%0.255CS..EExtended strand (participates in β ladder)trans-148.1139.1-178.2-176.267.3000108.9V609 I906L607-V609 HydrophobicContact CD1-CG2 4.47Å; L607-V609 HydrophobicContact CD2-CG2 3.52Å; L607-V609 HydrophobicContact CG-CG2 3.67Å; L607-I906 HydrophobicContact CB-CB 4.25Å; L607-I906 HydrophobicContact CB-CD1 4.17Å; L607-I906 HydrophobicContact CB-CG1 4.49Å; L607-I906 HydrophobicContact CD2-CD1 3.86Å; L607-I906 HydrophobicContact CG-CD1 4.5Å; L607-I906 PolarHBondContact N-O 3.07Å; L607-I906 PolarHBondContact O-N 2.69Å
608V73.3Confident68.9Low52 Ų5255.7 Ų55.732%0.31526%0.255SS..EExtended strand (participates in β ladder)trans-118122.2169.8-175.30000106.4S605 T903 R905S605-V608 WeakPolarHBondContact OG-CG2 3.42Å; V608-T903 HydrophobicContact CG1-CG2 4.08Å; V608-R905 HydrophobicContact CB-CG 4.47Å; V608-R905 HydrophobicContact CG1-CG 4.06Å; V608-R905 HydrophobicContact CG2-CG 4.01Å
609V69.9Low69.6Low15 Ų1555 Ų559%0.09125%0.252CS..EExtended strand (participates in β ladder)trans-117.6136.3178.9-170.70000107.8L607 P611 F640 I904L607-V609 HydrophobicContact CD1-CG2 4.47Å; L607-V609 HydrophobicContact CD2-CG2 3.52Å; L607-V609 HydrophobicContact CG-CG2 3.67Å; V609-P611 HydrophobicContact CG1-CG 4.05Å; V609-P611 WeakPolarHBondContact O-CD 3.44Å; V609-F640 HydrophobicContact CB-CE2 4.14Å; V609-F640 HydrophobicContact CB-CZ 4.44Å; V609-F640 HydrophobicContact CG1-CD2 4.18Å; V609-F640 HydrophobicContact CG1-CE2 4.07Å; V609-F640 HydrophobicContact CG1-CG 4.5Å; V609-F640 HydrophobicContact CG1-CZ 4.32Å; V609-F640 HydrophobicContact CG2-CD2 4.36Å; V609-F640 HydrophobicContact CG2-CE2 3.99Å; V609-I904 PolarHBondContact N-O 2.93Å; V609-I904 PolarHBondContact O-N 2.89Å
610R66.6Low70.9Confident58 Ų5848.7 Ų48.722%0.21923%0.226CC..  trans-116.881.9169.8-74.9-172.9169.8138.117.3109.7Q545 S549 T903Q545-R610 VanDerWaalsContact C-NH1 3.28Å; Q545-R610 PolarHBondContact O-NH1 2.77Å; S549-R610 PolarHBondContact OG-NH1 2.93Å; S549-R610 PolarHBondContact OG-NH2 3.13Å; R610-T903 HydrophobicContact CG-CG2 3.59Å
611P69.6Low72.7Confident21 Ų2146.3 Ų46.314%0.13621%0.208CC..  trans-79.7-31.5178.315.3-3.9000111.4V609 Q638 F640 I904V609-P611 HydrophobicContact CG1-CG 4.05Å; V609-P611 WeakPolarHBondContact O-CD 3.44Å; P611-Q638 HydrophobicContact CB-CB 4.15Å; P611-Q638 HydrophobicContact CB-CG 4.39Å; P611-Q638 VanDerWaalsContact O-CD 3.26Å; P611-Q638 PolarHBondContact O-NE2 3.13Å; P611-Q638 PolarHBondContact O-OE1 3.42Å; P611-F640 HydrophobicContact CB-CD1 4.28Å; P611-F640 HydrophobicContact CB-CE1 4.19Å; P611-F640 HydrophobicContact CG-CD1 4.12Å; P611-F640 HydrophobicContact CG-CE1 3.57Å; P611-F640 HydrophobicContact CG-CZ 4.13Å; P611-I904 HydrophobicContact CG-CD1 3.57Å; P611-I904 HydrophobicContact CG-CG1 4.42Å
612H67.7Low74.3Confident0 Ų042.1 Ų42.10%019%0.187CC..  trans-96.3153-168.2-67.4-79.7000112.6D614 V616 S630 D634 T636H612-D614 WeakPolarHBondContact CB-O 3.19Å; H612-V616 HydrophobicContact CB-CG2 3.89Å; H612-V616 VanDerWaalsContact CD2-CG2 3.49Å; H612-V616 WeakPolarHBondContact CD2-CG2 3.46Å; H612-S630 PolarHBondContact CD2-OG 3.31Å; H612-S630 PolarHBondContact CE1-O 2.84Å; H612-S630 VanDerWaalsContact NE2-CB 3.33Å; H612-S630 WeakPolarHBondContact NE2-CB 3.31Å; H612-S630 PolarHBondContact NE2-O 2.85Å; H612-S630 PolarHBondContact NE2-OG 3.34Å; H612-D634 VanDerWaalsContact CA-OD2 3.27Å; H612-D634 WeakPolarHBondContact CA-OD2 3.48Å; H612-D634 VanDerWaalsContact CB-OD2 3.29Å; H612-D634 WeakPolarHBondContact CB-OD2 3.37Å; H612-D634 IonicContact CE1-OD1 3.14Å; H612-D634 IonicContact CE1-OD2 3.7Å; H612-D634 IonicContact CG-OD2 3.55Å; H612-D634 IonicContact ND1-OD1 3.79Å; H612-D634 PolarHBondContact ND1-OD1 3.12Å; H612-D634 IonicContact ND1-OD2 3.14Å; H612-D634 PolarHBondContact ND1-OD2 3.3Å; H612-T636 PolarHBondContact CE1-O 3.02Å
613R63.8Low76Confident127 Ų12736 Ų3648%0.47917%0.167SC..SBendtrans-84.6-2.5173.4-57.6-175.8-177.6-158.5-3.8112.9V527 D634 Q902V527-R613 HydrophobicContact CG1-CG 3.95Å; R613-D634 HydrophobicContact CB-CB 4.42Å; R613-D634 PolarHBondContact N-OD2 2.97Å; R613-Q902 PolarHBondContact O-NE2 3.17Å
614D70.1Confident77.5Confident23 Ų2334.8 Ų34.812%0.12316%0.161CC..SBendtrans-156.8176.3-163.4-149.8-19.6000110.1K192 H612 A633 D634K192-D614 WeakPolarHBondContact CD-OD2 3.48Å; K192-D614 WeakPolarHBondContact CE-OD2 3.21Å; K192-D614 IonicContact NZ-OD1 2.82Å; K192-D614 PolarHBondContact NZ-OD1 3.09Å; K192-D614 IonicContact NZ-OD2 3.13Å; K192-D614 PolarHBondContact NZ-OD2 3.49Å; H612-D614 WeakPolarHBondContact CB-O 3.19Å; D614-A633 HydrophobicContact CB-CB 4.11Å; D614-A633 WeakPolarHBondContact OD2-CB 3.38Å; D614-D634 HydrophobicContact CB-CB 3.76Å
615A78Confident78.7Confident2 Ų236 Ų362%0.01716%0.162CC..  trans-49.8136.2-177.500000113.1Y617 G632 A633 D900A615-Y617 HydrophobicContact CB-CD1 4.46Å; A615-Y617 HydrophobicContact CB-CE1 4.01Å; A615-G632 CarbonylContact O-C 3.59Å; A615-G632 WeakPolarHBondContact O-CA 3.36Å; A615-A633 HydrophobicContact CB-CB 4.23Å; A615-A633 PolarHBondContact O-N 3.27Å; A615-D900 HydrophobicContact CB-CB 4.45Å; A615-D900 WeakPolarHBondContact CB-OD1 3.09Å
616V85.9Confident79.9Confident0 Ų041.5 Ų41.50%019%0.187CC..EExtended strand (participates in β ladder)trans-101.7105177.5-168.30000109.9H612 S898 S899 I904H612-V616 HydrophobicContact CB-CG2 3.89Å; H612-V616 VanDerWaalsContact CD2-CG2 3.49Å; H612-V616 WeakPolarHBondContact CD2-CG2 3.46Å; V616-S898 WeakPolarHBondContact O-CB 3.31Å; V616-S898 PolarHBondContact O-OG 3.29Å; V616-S899 PolarHBondContact N-O 3.17Å; V616-I904 HydrophobicContact CB-CG1 4.38Å; V616-I904 HydrophobicContact CG1-CD1 3.96Å; V616-I904 HydrophobicContact CG1-CG1 3.91Å; V616-I904 HydrophobicContact CG2-CG1 4.2Å
617Y91Very high80.9Confident47 Ų4736.7 Ų36.718%0.18417%0.169CC..EExtended strand (participates in β ladder)trans-77.2-39.3-177.7-64-32.2000112.9A615 C631 A633 E657 I658 L659 H884 C885A615-Y617 HydrophobicContact CB-CD1 4.46Å; A615-Y617 HydrophobicContact CB-CE1 4.01Å; Y617-C631 PolarHBondContact N-O 2.82Å; Y617-C631 VanDerWaalsContact N-O 3.14Å; Y617-A633 HydrophobicContact CE2-CB 4.15Å; Y617-E657 HydrophobicContact CE2-CB 4.02Å; Y617-E657 VanDerWaalsContact CE2-OE2 3.24Å; Y617-E657 WeakPolarHBondContact CE2-OE2 3.47Å; Y617-E657 PolarHBondContact OH-OE2 2.97Å; Y617-I658 WeakPolarHBondContact CD2-O 3.33Å; Y617-L659 HydrophobicContact CD2-CD2 4.05Å; Y617-L659 HydrophobicContact CE2-CD2 4.11Å; Y617-H884 AromaticContact CD1-CD2 3.85Å; Y617-H884 AromaticContact CD1-CE1 4Å; Y617-H884 AromaticContact CD1-NE2 3.83Å; Y617-H884 AromaticContact CE1-NE2 3.9Å; Y617-H884 WeakPolarHBondContact O-CB 3.31Å; Y617-C885 WeakPolarHBondContact O-CB 3.3Å
618H93.8Very high81.8Confident11 Ų1134.9 Ų34.95%0.05116%0.159CC..EExtended strand (participates in β ladder)trans-143.5142.8-177.9-155.666.7000111.9S630 C631 C661 C885H618-S630 WeakPolarHBondContact O-CA 3.49Å; H618-C631 PolarHBondContact N-O 3.19Å; H618-C631 PolarHBondContact O-N 3.09Å; H618-C661 PolarHBondContact CD2-O 3Å; H618-C885 PolarHBondContact CE1-SG 2.76Å; H618-C885 PolarHBondContact ND1-SG 3.32Å
619A93.8Very high82.8Confident0 Ų032.4 Ų32.40%014%0.144CC..EExtended strand (participates in β ladder)trans-145.3136.617300000109.6A629 I896 I904A619-A629 WeakPolarHBondContact CA-O 3.25Å; A619-I896 HydrophobicContact CB-CD1 4.05Å; A619-I904 HydrophobicContact CB-CD1 4.16Å; A619-I904 HydrophobicContact CB-CG1 4.45Å; A619-I904 HydrophobicContact CB-CG2 4.23Å
620C93.6Very high83.8Confident6 Ų631.7 Ų31.74%0.04114%0.14CC..EExtended strand (participates in β ladder)trans-136.9143.7-17765.40000112.1I628 A629 M887C620-I628 WeakPolarHBondContact O-CA 3.38Å; C620-A629 PolarHBondContact N-O 3.41Å; C620-A629 PolarHBondContact O-N 3.46Å; C620-M887 VanDerWaalsContact CA-CE 3.41Å; C620-M887 HydrophobicContact CB-CE 3.5Å; C620-M887 VanDerWaalsContact CB-CE 3.5Å; C620-M887 HydrophobicContact CB-SD 3.82Å
621F92.9Very high85.1Confident8 Ų829 Ų294%0.03513%0.129CC..EExtended strand (participates in β ladder)trans-73.6149.2168.8-73.5-74000111.4R625 I628 A642 F663 M887 L894 I896 I906F621-R625 HydrophobicContact CD1-CG 4.43Å; F621-I628 HydrophobicContact CD1-CD1 4.19Å; F621-I628 HydrophobicContact CD1-CG1 3.66Å; F621-I628 HydrophobicContact CE1-CD1 3.76Å; F621-I628 HydrophobicContact CE1-CG1 3.77Å; F621-A642 HydrophobicContact CD1-CB 4.49Å; F621-A642 HydrophobicContact CE1-CB 4.24Å; F621-F663 WeakPolarHBondContact O-CD2 3.17Å; F621-M887 HydrophobicContact CB-CE 4.36Å; F621-M887 VanDerWaalsContact N-CE 3.26Å; F621-L894 HydrophobicContact CZ-CB 4.31Å; F621-I896 HydrophobicContact CD2-CB 4.3Å; F621-I896 HydrophobicContact CD2-CG2 4.23Å; F621-I896 HydrophobicContact CE2-CB 3.6Å; F621-I896 HydrophobicContact CE2-CG2 4Å; F621-I896 HydrophobicContact CZ-CB 3.95Å; F621-I896 HydrophobicContact CZ-CD1 4.43Å; F621-I906 HydrophobicContact CZ-CG2 4.16Å
622S92.2Very high86.1Confident0 Ų028 Ų280%012%0.123CC..  trans-67.7155.2159.258.10000111D624 R625 Q626 R627 D667S622-D624 VanDerWaalsContact CB-OD1 3.3Å; S622-D624 WeakPolarHBondContact CB-OD1 3.01Å; S622-D624 PolarHBondContact O-N 2.88Å; S622-D624 PolarHBondContact OG-OD1 2.54Å; S622-R625 WeakPolarHBondContact O-CA 3.37Å; S622-R625 PolarHBondContact O-N 2.75Å; S622-R625 PolarHBondContact OG-N 3.12Å; S622-Q626 PolarHBondContact OG-N 2.96Å; S622-R627 PolarHBondContact N-O 2.96Å; S622-R627 PolarHBondContact OG-N 3.11Å; S622-R627 PolarHBondContact OG-O 2.92Å; S622-D667 WeakPolarHBondContact CA-OD1 3.49Å
623H87.5Confident86.8Confident72 Ų7228.1 Ų28.133%0.33313%0.125SC..THydrogen-bonded Turntrans-61.5-35176.8-68.777.7000111.7R625 S664 D667H623-R625 PolarHBondContact O-N 2.79Å; H623-S664 PolarHBondContact CE1-O 3.09Å; H623-S664 PolarHBondContact ND1-O 3.38Å; H623-D667 IonicContact CG-OD1 2.68Å; H623-D667 VanDerWaalsContact N-CG 3.27Å; H623-D667 PolarHBondContact N-OD1 2.92Å; H623-D667 PolarHBondContact N-OD2 2.9Å; H623-D667 IonicContact ND1-OD1 2.63Å; H623-D667 PolarHBondContact ND1-OD1 3.36Å; H623-D667 VanDerWaalsContact ND1-OD1 3.08Å
624D84.4Confident87.5Confident68 Ų6823.4 Ų23.436%0.36411%0.109SC..THydrogen-bonded Turntrans-74.7-7.8173.270.515000114.5S622 Q626 R627 D667S622-D624 VanDerWaalsContact CB-OD1 3.3Å; S622-D624 WeakPolarHBondContact CB-OD1 3.01Å; S622-D624 PolarHBondContact O-N 2.88Å; S622-D624 PolarHBondContact OG-OD1 2.54Å; D624-Q626 HydrophobicContact CB-CG 4.48Å; D624-Q626 PolarHBondContact O-N 3.27Å; D624-Q626 VanDerWaalsContact O-N 3.15Å; D624-Q626 WeakPolarHBondContact OD1-CB 3.31Å; D624-Q626 PolarHBondContact OD1-N 3.22Å; D624-R627 IonicContact OD2-NH2 2.73Å; D624-D667 PolarHBondContact N-OD2 3.34Å
625R83.8Confident88.3Confident69 Ų6924.6 Ų24.626%0.2611%0.113SC..SBendtrans63.56.1-178.2-149.4-161.1-168.3170.323.4116.3F621 S622 H623 A642 S889 D891 S893 L894F621-R625 HydrophobicContact CD1-CG 4.43Å; S622-R625 WeakPolarHBondContact O-CA 3.37Å; S622-R625 PolarHBondContact O-N 2.75Å; S622-R625 PolarHBondContact OG-N 3.12Å; H623-R625 PolarHBondContact O-N 2.79Å; R625-A642 VanDerWaalsContact O-CB 3.3Å; R625-A642 WeakPolarHBondContact O-CB 3.36Å; R625-S889 PolarHBondContact NH2-OG 3.03Å; R625-D891 IonicContact CZ-OD1 3.67Å; R625-D891 IonicContact CZ-OD2 2.69Å; R625-D891 IonicContact NE-OD1 3.94Å; R625-D891 IonicContact NH1-OD2 2.81Å; R625-D891 PolarHBondContact NH1-OD2 3.14Å; R625-D891 VanDerWaalsContact NH1-OD2 3.17Å; R625-D891 IonicContact NH2-OD1 2.73Å; R625-D891 PolarHBondContact NH2-OD1 3.49Å; R625-D891 VanDerWaalsContact NH2-OD1 3.14Å; R625-D891 IonicContact NH2-OD2 3.68Å; R625-D891 PolarHBondContact NH2-OD2 3.41Å; R625-S893 PolarHBondContact NH1-OG 3.1Å; R625-S893 PolarHBondContact NH2-OG 2.72Å; R625-L894 VanDerWaalsContact CZ-CD1 3.42Å
626Q83.1Confident88.7Confident127 Ų12725 Ų2559%0.59312%0.115SC*.SBendtrans-83.5-24.2-178.2-61.1-168.9-0.700112.4S622 D624 K641 A642S622-Q626 PolarHBondContact OG-N 2.96Å; D624-Q626 HydrophobicContact CB-CG 4.48Å; D624-Q626 PolarHBondContact O-N 3.27Å; D624-Q626 VanDerWaalsContact O-N 3.15Å; D624-Q626 WeakPolarHBondContact OD1-CB 3.31Å; D624-Q626 PolarHBondContact OD1-N 3.22Å; Q626-K641 WeakPolarHBondContact O-CA 3.49Å; Q626-A642 PolarHBondContact O-N 3.16Å
627R87.8Confident89.1Confident27 Ų2725 Ų2510%0.10212%0.115CC..EExtended strand (participates in β ladder)trans-126.5152.4-172-65.1178.1-74.9161.62.8110.9S622 D624 V639 F640 L648 F663 D667 S684S622-R627 PolarHBondContact N-O 2.96Å; S622-R627 PolarHBondContact OG-N 3.11Å; S622-R627 PolarHBondContact OG-O 2.92Å; D624-R627 IonicContact OD2-NH2 2.73Å; R627-V639 HydrophobicContact CB-CG1 4.24Å; R627-F640 CarbonylContact C-O 3.47Å; R627-F640 WeakPolarHBondContact CA-O 3.37Å; R627-L648 HydrophobicContact CG-CD1 3.9Å; R627-F663 HydrophobicContact CB-CZ 4.28Å; R627-D667 PolarHBondContact NH2-O 3.2Å; R627-S684 PolarHBondContact NH1-O 2.79Å; R627-S684 PolarHBondContact NH1-OG 3.3Å
628I89.9Confident88.9Confident0 Ų022.9 Ų22.90%011%0.107CC..EExtended strand (participates in β ladder)trans-123.9135.3170.4-66.9161.5000106.8C620 F621 V639 F640 A642 I896 I906C620-I628 WeakPolarHBondContact O-CA 3.38Å; F621-I628 HydrophobicContact CD1-CD1 4.19Å; F621-I628 HydrophobicContact CD1-CG1 3.66Å; F621-I628 HydrophobicContact CE1-CD1 3.76Å; F621-I628 HydrophobicContact CE1-CG1 3.77Å; I628-V639 VanDerWaalsContact O-CA 3.25Å; I628-V639 WeakPolarHBondContact O-CA 3.16Å; I628-F640 HydrophobicContact CB-CD2 4.02Å; I628-F640 HydrophobicContact CB-CE1 4.29Å; I628-F640 HydrophobicContact CB-CE2 3.57Å; I628-F640 HydrophobicContact CB-CZ 3.72Å; I628-F640 HydrophobicContact CD1-CD2 4.26Å; I628-F640 HydrophobicContact CD1-CE2 3.59Å; I628-F640 HydrophobicContact CD1-CZ 4.31Å; I628-F640 HydrophobicContact CG1-CE2 4.18Å; I628-F640 HydrophobicContact CG2-CE1 3.91Å; I628-F640 HydrophobicContact CG2-CE2 3.69Å; I628-F640 HydrophobicContact CG2-CZ 3.31Å; I628-F640 PolarHBondContact N-O 3.07Å; I628-F640 PolarHBondContact O-N 3.25Å; I628-A642 HydrophobicContact CD1-CB 3.83Å; I628-A642 HydrophobicContact CG1-CB 3.99Å; I628-I896 HydrophobicContact CB-CD1 4.38Å; I628-I896 HydrophobicContact CD1-CD1 3.69Å; I628-I896 HydrophobicContact CG1-CD1 3.98Å; I628-I896 HydrophobicContact CG2-CD1 3.48Å; I628-I896 VanDerWaalsContact CG2-CD1 3.48Å; I628-I906 HydrophobicContact CD1-CD1 3.33Å; I628-I906 HydrophobicContact CD1-CG1 4.03Å
629A93Very high88.7Confident0 Ų022.4 Ų22.40%011%0.105CC..EExtended strand (participates in β ladder)trans-107.1136.2167.700000108.1A619 C620 L637 Q638 V639 F663 V670A619-A629 WeakPolarHBondContact CA-O 3.25Å; C620-A629 PolarHBondContact N-O 3.41Å; C620-A629 PolarHBondContact O-N 3.46Å; A629-L637 HydrophobicContact CB-CD1 4.28Å; A629-Q638 CarbonylContact C-O 3.26Å; A629-Q638 WeakPolarHBondContact CA-O 3.18Å; A629-V639 HydrophobicContact CB-CG2 4.37Å; A629-F663 HydrophobicContact CB-CD2 4.06Å; A629-F663 HydrophobicContact CB-CE1 4.47Å; A629-F663 HydrophobicContact CB-CE2 3.3Å; A629-F663 HydrophobicContact CB-CZ 3.54Å; A629-V670 HydrophobicContact CB-CG1 4.3Å
630S92.4Very high88.3Confident0 Ų022.4 Ų22.40%011%0.105CC..EExtended strand (participates in β ladder)trans-137.7147.4178640000111.5H612 H618 Q638 F640 I904H612-S630 PolarHBondContact CD2-OG 3.31Å; H612-S630 PolarHBondContact CE1-O 2.84Å; H612-S630 VanDerWaalsContact NE2-CB 3.33Å; H612-S630 WeakPolarHBondContact NE2-CB 3.31Å; H612-S630 PolarHBondContact NE2-O 2.85Å; H612-S630 PolarHBondContact NE2-OG 3.34Å; H618-S630 WeakPolarHBondContact O-CA 3.49Å; S630-Q638 PolarHBondContact N-O 3.35Å; S630-Q638 PolarHBondContact O-N 2.88Å; S630-F640 WeakPolarHBondContact OG-CE1 3.42Å; S630-I904 WeakPolarHBondContact OG-CD1 3.37Å
631C93.6Very high87.3Confident0 Ų025.8 Ų25.80%012%0.119CC..EExtended strand (participates in β ladder)trans-143.9155179.471.20000110.9Y617 H618 I658 C660 C661Y617-C631 PolarHBondContact N-O 2.82Å; Y617-C631 VanDerWaalsContact N-O 3.14Å; H618-C631 PolarHBondContact N-O 3.19Å; H618-C631 PolarHBondContact O-N 3.09Å; C631-I658 HydrophobicContact CB-CB 3.79Å; C631-I658 HydrophobicContact CB-CD1 4.25Å; C631-I658 HydrophobicContact CB-CG2 3.52Å; C631-I658 VanDerWaalsContact SG-CG2 3.6Å; C631-C660 VanDerWaalsContact SG-C 3.58Å; C631-C661 HydrophobicContact CB-CB 4.12Å
632G89.1Confident86.4Confident0 Ų025.8 Ų25.80%012%0.12CC..EExtended strand (participates in β ladder)trans-167.4-159.9-176.100000114.1A615 D634 K635 I658A615-G632 CarbonylContact O-C 3.59Å; A615-G632 WeakPolarHBondContact O-CA 3.36Å; G632-D634 PolarHBondContact O-N 3.48Å; G632-K635 PolarHBondContact O-N 3.34Å; G632-I658 PolarHBondContact O-N 3.32Å; G632-I658 VanDerWaalsContact O-N 3.16Å
633A83.3Confident85.4Confident4 Ų431.6 Ų31.63%0.03315%0.147CC..THydrogen-bonded Turntrans-69.6-18.3-177.100000113.5D614 A615 Y617 K635 E657D614-A633 HydrophobicContact CB-CB 4.11Å; D614-A633 WeakPolarHBondContact OD2-CB 3.38Å; A615-A633 HydrophobicContact CB-CB 4.23Å; A615-A633 PolarHBondContact O-N 3.27Å; Y617-A633 HydrophobicContact CE2-CB 4.15Å; A633-K635 WeakPolarHBondContact O-CG 3.47Å; A633-K635 PolarHBondContact O-N 3.44Å; A633-K635 VanDerWaalsContact O-N 3.13Å; A633-E657 HydrophobicContact CB-CG 4.22Å
634D78.4Confident84Confident27 Ų2731.2 Ų31.214%0.14415%0.152CC..THydrogen-bonded Turntrans-73.10.3176.875.60.5000114.2H612 R613 D614 G632 T636H612-D634 VanDerWaalsContact CA-OD2 3.27Å; H612-D634 WeakPolarHBondContact CA-OD2 3.48Å; H612-D634 VanDerWaalsContact CB-OD2 3.29Å; H612-D634 WeakPolarHBondContact CB-OD2 3.37Å; H612-D634 IonicContact CE1-OD1 3.14Å; H612-D634 IonicContact CE1-OD2 3.7Å; H612-D634 IonicContact CG-OD2 3.55Å; H612-D634 IonicContact ND1-OD1 3.79Å; H612-D634 PolarHBondContact ND1-OD1 3.12Å; H612-D634 IonicContact ND1-OD2 3.14Å; H612-D634 PolarHBondContact ND1-OD2 3.3Å; R613-D634 HydrophobicContact CB-CB 4.42Å; R613-D634 PolarHBondContact N-OD2 2.97Å; D614-D634 HydrophobicContact CB-CB 3.76Å; G632-D634 PolarHBondContact O-N 3.48Å; D634-T636 PolarHBondContact O-N 2.67Å; D634-T636 VanDerWaalsContact O-N 3.16Å; D634-T636 PolarHBondContact OD1-N 3.01Å; D634-T636 PolarHBondContact OD1-OG1 2.85Å; D634-T636 PolarHBondContact OD2-OG1 3.12Å
635K87.4Confident82.9Confident48 Ų4828.8 Ų28.821%0.20914%0.144CC..SBendtrans65.912.6176.1-40.9176.3177.7-168.90113.7G632 A633 A653 H654 D655G632-K635 PolarHBondContact O-N 3.34Å; A633-K635 WeakPolarHBondContact O-CG 3.47Å; A633-K635 PolarHBondContact O-N 3.44Å; A633-K635 VanDerWaalsContact O-N 3.13Å; K635-A653 PolarHBondContact O-N 2.62Å; K635-H654 WeakPolarHBondContact CB-O 3.49Å; K635-H654 PolarHBondContact O-N 3.39Å; K635-D655 WeakPolarHBondContact CD-O 3.3Å; K635-D655 WeakPolarHBondContact CE-O 3.23Å; K635-D655 PolarHBondContact NZ-O 2.79Å
636T87.1Confident82.1Confident10 Ų1031.5 Ų31.56%0.06116%0.159CC..EExtended strand (participates in β ladder)trans-106143178.472.60000111.4H612 D634 Q638 I651 K652H612-T636 PolarHBondContact CE1-O 3.02Å; D634-T636 PolarHBondContact O-N 2.67Å; D634-T636 VanDerWaalsContact O-N 3.16Å; D634-T636 PolarHBondContact OD1-N 3.01Å; D634-T636 PolarHBondContact OD1-OG1 2.85Å; D634-T636 PolarHBondContact OD2-OG1 3.12Å; T636-Q638 PolarHBondContact OG1-NE2 2.89Å; T636-I651 CarbonylContact C-O 3.5Å; T636-I651 VanDerWaalsContact CA-O 3.23Å; T636-I651 WeakPolarHBondContact CA-O 3.34Å; T636-K652 HydrophobicContact CG2-CG 4.36Å
637L93.1Very high81.6Confident1 Ų130.6 Ų30.61%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-93.8124.8161.4173.166.2000107.3A629 I651 A653 C661 V670 T672 W682A629-L637 HydrophobicContact CB-CD1 4.28Å; L637-I651 HydrophobicContact CB-CB 4.34Å; L637-I651 HydrophobicContact CD2-CD1 4.17Å; L637-I651 PolarHBondContact N-O 3.42Å; L637-I651 PolarHBondContact O-N 3Å; L637-A653 HydrophobicContact CB-CB 4Å; L637-C661 HydrophobicContact CD1-CB 4.28Å; L637-V670 HydrophobicContact CD1-CG1 4.05Å; L637-V670 HydrophobicContact CD2-CB 4.2Å; L637-V670 HydrophobicContact CD2-CG1 3.82Å; L637-T672 HydrophobicContact CB-CG2 4.2Å; L637-T672 HydrophobicContact CD1-CG2 3.96Å; L637-T672 HydrophobicContact CD2-CG2 3.82Å; L637-T672 HydrophobicContact CG-CG2 4.21Å; L637-W682 HydrophobicContact CD2-CB 4.34Å; L637-W682 HydrophobicContact CD2-CG 4.08Å
638Q87.3Confident81.2Confident2 Ų233.3 Ų33.31%0.00917%0.167CC..EExtended strand (participates in β ladder)trans-115.6139.7174.7-60.2-149.626.900110.8P611 A629 S630 T636 R647 L649P611-Q638 HydrophobicContact CB-CB 4.15Å; P611-Q638 HydrophobicContact CB-CG 4.39Å; P611-Q638 VanDerWaalsContact O-CD 3.26Å; P611-Q638 PolarHBondContact O-NE2 3.13Å; P611-Q638 PolarHBondContact O-OE1 3.42Å; A629-Q638 CarbonylContact C-O 3.26Å; A629-Q638 WeakPolarHBondContact CA-O 3.18Å; S630-Q638 PolarHBondContact N-O 3.35Å; S630-Q638 PolarHBondContact O-N 2.88Å; T636-Q638 PolarHBondContact OG1-NE2 2.89Å; Q638-R647 VanDerWaalsContact OE1-NH2 3.09Å; Q638-L649 WeakPolarHBondContact CA-O 3.33Å
639V89.1Confident80.9Confident1 Ų135 Ų351%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-125.1127.3174-174.80000108.3R627 I628 A629 L648 L649 F663R627-V639 HydrophobicContact CB-CG1 4.24Å; I628-V639 VanDerWaalsContact O-CA 3.25Å; I628-V639 WeakPolarHBondContact O-CA 3.16Å; A629-V639 HydrophobicContact CB-CG2 4.37Å; V639-L648 WeakPolarHBondContact O-CA 3.49Å; V639-L648 WeakPolarHBondContact O-CB 3.29Å; V639-L648 PolarHBondContact O-N 2.64Å; V639-L649 HydrophobicContact CB-CB 4.15Å; V639-L649 HydrophobicContact CG2-CB 4.46Å; V639-L649 PolarHBondContact N-O 3.41Å; V639-L649 PolarHBondContact O-N 3.44Å; V639-F663 HydrophobicContact CG1-CZ 4.4Å
640F84.8Confident80.5Confident1 Ų139.4 Ų39.40%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-139.7162.7-178.852.3-89.3000111.4V609 P611 R627 I628 S630 E646 I904V609-F640 HydrophobicContact CB-CE2 4.14Å; V609-F640 HydrophobicContact CB-CZ 4.44Å; V609-F640 HydrophobicContact CG1-CD2 4.18Å; V609-F640 HydrophobicContact CG1-CE2 4.07Å; V609-F640 HydrophobicContact CG1-CG 4.5Å; V609-F640 HydrophobicContact CG1-CZ 4.32Å; V609-F640 HydrophobicContact CG2-CD2 4.36Å; V609-F640 HydrophobicContact CG2-CE2 3.99Å; P611-F640 HydrophobicContact CB-CD1 4.28Å; P611-F640 HydrophobicContact CB-CE1 4.19Å; P611-F640 HydrophobicContact CG-CD1 4.12Å; P611-F640 HydrophobicContact CG-CE1 3.57Å; P611-F640 HydrophobicContact CG-CZ 4.13Å; R627-F640 CarbonylContact C-O 3.47Å; R627-F640 WeakPolarHBondContact CA-O 3.37Å; I628-F640 HydrophobicContact CB-CD2 4.02Å; I628-F640 HydrophobicContact CB-CE1 4.29Å; I628-F640 HydrophobicContact CB-CE2 3.57Å; I628-F640 HydrophobicContact CB-CZ 3.72Å; I628-F640 HydrophobicContact CD1-CD2 4.26Å; I628-F640 HydrophobicContact CD1-CE2 3.59Å; I628-F640 HydrophobicContact CD1-CZ 4.31Å; I628-F640 HydrophobicContact CG1-CE2 4.18Å; I628-F640 HydrophobicContact CG2-CE1 3.91Å; I628-F640 HydrophobicContact CG2-CE2 3.69Å; I628-F640 HydrophobicContact CG2-CZ 3.31Å; I628-F640 PolarHBondContact N-O 3.07Å; I628-F640 PolarHBondContact O-N 3.25Å; S630-F640 WeakPolarHBondContact OG-CE1 3.42Å; F640-E646 CarbonylContact C-O 3.57Å; F640-E646 WeakPolarHBondContact CA-O 3.34Å; F640-E646 WeakPolarHBondContact CB-O 3.44Å; F640-I904 HydrophobicContact CE1-CD1 3.85Å; F640-I904 HydrophobicContact CZ-CB 4.49Å; F640-I904 HydrophobicContact CZ-CD1 3.62Å; F640-I904 HydrophobicContact CZ-CG2 4.33Å
641K73.7Confident80.4Confident77 Ų7740.2 Ų40.234%0.33520%0.2SC..EExtended strand (participates in β ladder)trans-74.4132.1179.2-168.7177.5177.2-165.80110.3Q626 E643 G645 E646Q626-K641 WeakPolarHBondContact O-CA 3.49Å; K641-E643 VanDerWaalsContact C-N 3.31Å; K641-E643 VanDerWaalsContact CE-OE2 3.26Å; K641-E643 WeakPolarHBondContact CE-OE2 3.41Å; K641-E643 IonicContact NZ-OE2 2.95Å; K641-E643 PolarHBondContact NZ-OE2 3.48Å; K641-E643 VanDerWaalsContact NZ-OE2 3.12Å; K641-E643 PolarHBondContact O-N 3.1Å; K641-G645 VanDerWaalsContact O-CA 3.32Å; K641-G645 WeakPolarHBondContact O-CA 3.43Å; K641-G645 PolarHBondContact O-N 2.65Å; K641-E646 PolarHBondContact N-O 3.04Å
642A74.1Confident80.1Confident7 Ų748.8 Ų48.86%0.05824%0.238CC..THydrogen-bonded Turntrans-67.6-27.2-175.700000114.2F621 R625 Q626 I628 I906F621-A642 HydrophobicContact CD1-CB 4.49Å; F621-A642 HydrophobicContact CE1-CB 4.24Å; R625-A642 VanDerWaalsContact O-CB 3.3Å; R625-A642 WeakPolarHBondContact O-CB 3.36Å; Q626-A642 PolarHBondContact O-N 3.16Å; I628-A642 HydrophobicContact CD1-CB 3.83Å; I628-A642 HydrophobicContact CG1-CB 3.99Å; A642-I906 VanDerWaalsContact O-CD1 3.3Å; A642-I906 WeakPolarHBondContact O-CD1 3.38Å
643E71.2Confident80Confident123 Ų12348.9 Ų48.958%0.57524%0.238SC*.THydrogen-bonded Turntrans-83.1-44.3-177.4-65.7179.2150.100113.4K641K641-E643 VanDerWaalsContact C-N 3.31Å; K641-E643 VanDerWaalsContact CE-OE2 3.26Å; K641-E643 WeakPolarHBondContact CE-OE2 3.41Å; K641-E643 IonicContact NZ-OE2 2.95Å; K641-E643 PolarHBondContact NZ-OE2 3.48Å; K641-E643 VanDerWaalsContact NZ-OE2 3.12Å; K641-E643 PolarHBondContact O-N 3.1Å
644S58.3Low80.4Confident63 Ų6349.1 Ų49.144%0.44124%0.239SC..THydrogen-bonded Turntrans-105.5-15.9-172.257.20000113.8E646S644-E646 PolarHBondContact O-N 3.1Å; S644-E646 WeakPolarHBondContact OG-CB 3.31Å; S644-E646 PolarHBondContact OG-N 2.8Å
645G60.8Low80.5Confident18 Ų1853.8 Ų53.819%0.18626%0.263CS..  trans72.76.7-170.900000113.6K641 R647K641-G645 VanDerWaalsContact O-CA 3.32Å; K641-G645 WeakPolarHBondContact O-CA 3.43Å; K641-G645 PolarHBondContact O-N 2.65Å; G645-R647 PolarHBondContact O-N 2.92Å
646E66.4Low80.4Confident125 Ų12553.1 Ų53.158%0.58426%0.262SS*.  trans-65127.3-179.6-174-177.8175.700110.8F640 K641 S644 L648F640-E646 CarbonylContact C-O 3.57Å; F640-E646 WeakPolarHBondContact CA-O 3.34Å; F640-E646 WeakPolarHBondContact CB-O 3.44Å; K641-E646 PolarHBondContact N-O 3.04Å; S644-E646 PolarHBondContact O-N 3.1Å; S644-E646 WeakPolarHBondContact OG-CB 3.31Å; S644-E646 PolarHBondContact OG-N 2.8Å; E646-L648 PolarHBondContact O-N 3.31Å
647R73.3Confident80.5Confident109 Ų10955 Ų5541%0.41127%0.27SS..EExtended strand (participates in β ladder)trans-72.2123.3-178.1-165.6-174.7-159.2-160.79.6111.1Q638 G645 E650Q638-R647 VanDerWaalsContact OE1-NH2 3.09Å; G645-R647 PolarHBondContact O-N 2.92Å; R647-E650 VanDerWaalsContact CZ-CB 3.45Å; R647-E650 IonicContact CZ-OE1 3.51Å; R647-E650 IonicContact CZ-OE2 3.6Å; R647-E650 VanDerWaalsContact CZ-OE2 3.23Å; R647-E650 IonicContact NH1-OE1 3.17Å; R647-E650 IonicContact NH1-OE2 2.77Å; R647-E650 PolarHBondContact NH1-OE2 3.41Å; R647-E650 VanDerWaalsContact NH2-CB 3.35Å; R647-E650 IonicContact NH2-OE1 3.89Å; R647-E650 PolarHBondContact NH2-OE1 2.82Å; R647-E650 IonicContact NH2-OE2 3.5Å; R647-E650 PolarHBondContact NH2-OE2 3.21Å; R647-E650 VanDerWaalsContact NH2-OE2 3.14Å
648L78.9Confident80.6Confident84 Ų8455 Ų5544%0.4427%0.27SS..EExtended strand (participates in β ladder)trans-97.5-46.1178.3-59.2175.2000111.7R627 V639 E646R627-L648 HydrophobicContact CG-CD1 3.9Å; V639-L648 WeakPolarHBondContact O-CA 3.49Å; V639-L648 WeakPolarHBondContact O-CB 3.29Å; V639-L648 PolarHBondContact O-N 2.64Å; E646-L648 PolarHBondContact O-N 3.31Å
649L83.7Confident80.9Confident34 Ų3456.6 Ų56.618%0.17828%0.279CS..EExtended strand (participates in β ladder)trans-137.9141.7-177.5-62.8173.1000111.8Q638 V639 I651 S684Q638-L649 WeakPolarHBondContact CA-O 3.33Å; V639-L649 HydrophobicContact CB-CB 4.15Å; V639-L649 HydrophobicContact CG2-CB 4.46Å; V639-L649 PolarHBondContact N-O 3.41Å; V639-L649 PolarHBondContact O-N 3.44Å; L649-I651 HydrophobicContact CB-CD1 4.45Å; L649-I651 HydrophobicContact CB-CG1 4.47Å; L649-I651 HydrophobicContact CD1-CD1 4.48Å; L649-S684 WeakPolarHBondContact CD1-O 3.28Å
650E85Confident81.2Confident94 Ų9456.8 Ų56.844%0.43928%0.28SS..EExtended strand (participates in β ladder)trans-123.4116.9166.9177.1173-14800108.8R647R647-E650 VanDerWaalsContact CZ-CB 3.45Å; R647-E650 IonicContact CZ-OE1 3.51Å; R647-E650 IonicContact CZ-OE2 3.6Å; R647-E650 VanDerWaalsContact CZ-OE2 3.23Å; R647-E650 IonicContact NH1-OE1 3.17Å; R647-E650 IonicContact NH1-OE2 2.77Å; R647-E650 PolarHBondContact NH1-OE2 3.41Å; R647-E650 VanDerWaalsContact NH2-CB 3.35Å; R647-E650 IonicContact NH2-OE1 3.89Å; R647-E650 PolarHBondContact NH2-OE1 2.82Å; R647-E650 IonicContact NH2-OE2 3.5Å; R647-E650 PolarHBondContact NH2-OE2 3.21Å; R647-E650 VanDerWaalsContact NH2-OE2 3.14Å
651I90.6Very high81.7Confident17 Ų1756.7 Ų56.79%0.08728%0.28CS..EExtended strand (participates in β ladder)trans-126.6120.3-177.3-56.3165.4000108.1T636 L637 L649 A653 W682T636-I651 CarbonylContact C-O 3.5Å; T636-I651 VanDerWaalsContact CA-O 3.23Å; T636-I651 WeakPolarHBondContact CA-O 3.34Å; L637-I651 HydrophobicContact CB-CB 4.34Å; L637-I651 HydrophobicContact CD2-CD1 4.17Å; L637-I651 PolarHBondContact N-O 3.42Å; L637-I651 PolarHBondContact O-N 3Å; L649-I651 HydrophobicContact CB-CD1 4.45Å; L649-I651 HydrophobicContact CB-CG1 4.47Å; L649-I651 HydrophobicContact CD1-CD1 4.48Å; I651-A653 VanDerWaalsContact C-N 3.34Å; I651-A653 HydrophobicContact CG2-CB 4.37Å; I651-A653 PolarHBondContact O-N 3.46Å; I651-W682 HydrophobicContact CD1-CE3 4.49Å; I651-W682 HydrophobicContact CG2-CD2 4.12Å; I651-W682 HydrophobicContact CG2-CE3 3.64Å; I651-W682 HydrophobicContact CG2-CH2 3.79Å; I651-W682 HydrophobicContact CG2-CZ2 4.26Å; I651-W682 HydrophobicContact CG2-CZ3 3.44Å; I651-W682 VanDerWaalsContact CG2-CZ3 3.44Å
652K86.4Confident82.8Confident180 Ų18053.2 Ų53.278%0.78327%0.265SS*.EExtended strand (participates in β ladder)trans-72.293165.3-68.5-173.5177.2-172.70108.1T636T636-K652 HydrophobicContact CG2-CG 4.36Å
653A87.5Confident83.7Confident2 Ų253.1 Ų53.12%0.01726%0.263CS..  trans-85.3-41.5-166.200000111.9K635 L637 I651 I658 K680 W682K635-A653 PolarHBondContact O-N 2.62Å; L637-A653 HydrophobicContact CB-CB 4Å; I651-A653 VanDerWaalsContact C-N 3.34Å; I651-A653 HydrophobicContact CG2-CB 4.37Å; I651-A653 PolarHBondContact O-N 3.46Å; A653-I658 HydrophobicContact CB-CD1 3.79Å; A653-K680 WeakPolarHBondContact O-CD 3.07Å; A653-K680 WeakPolarHBondContact O-CE 3.39Å; A653-K680 PolarHBondContact O-NZ 3.41Å; A653-W682 VanDerWaalsContact CA-CZ2 3.43Å; A653-W682 HydrophobicContact CB-CH2 4.35Å; A653-W682 HydrophobicContact CB-CZ2 3.56Å; A653-W682 WeakPolarHBondContact O-CZ2 3.39Å
654H90.6Very high84.8Confident8 Ų847.3 Ų47.34%0.03724%0.236CC..  trans-133.1164.8-174.5-70.9-95.5000112.2K635 D656 I658 T672 S674 D676 K678K635-H654 WeakPolarHBondContact CB-O 3.49Å; K635-H654 PolarHBondContact O-N 3.39Å; H654-D656 WeakPolarHBondContact CB-O 3.38Å; H654-I658 HydrophobicContact CB-CG1 4.12Å; H654-T672 PolarHBondContact CD2-OG1 3.35Å; H654-T672 PolarHBondContact NE2-OG1 2.93Å; H654-S674 VanDerWaalsContact CG-CB 3.46Å; H654-S674 VanDerWaalsContact ND1-CB 3.34Å; H654-S674 WeakPolarHBondContact ND1-CB 3.35Å; H654-D676 IonicContact CE1-OD1 2.7Å; H654-D676 IonicContact CE1-OD2 2.8Å; H654-D676 IonicContact CG-OD2 3.12Å; H654-D676 VanDerWaalsContact ND1-CG 3.29Å; H654-D676 IonicContact ND1-OD1 3.93Å; H654-D676 PolarHBondContact ND1-OD1 3.01Å; H654-D676 IonicContact ND1-OD2 3.43Å; H654-D676 PolarHBondContact ND1-OD2 3.43Å; H654-K678 PolarHBondContact CE1-O 3.36Å
655D82.1Confident86.2Confident125 Ų12545.1 Ų45.167%0.66822%0.222SC*.SBendtrans-87.3-13.8177-60.3-46.2000111.8K635K635-D655 WeakPolarHBondContact CD-O 3.3Å; K635-D655 WeakPolarHBondContact CE-O 3.23Å; K635-D655 PolarHBondContact NZ-O 2.79Å
656D85Confident87.4Confident34 Ų3446.8 Ų46.818%0.18223%0.227CC..SBendtrans-130.1178.3175.4-147.6-10.5000111.3H654 S674 A675 D676H654-D656 WeakPolarHBondContact CB-O 3.38Å; D656-S674 PolarHBondContact O-OG 3.31Å; D656-A675 HydrophobicContact CB-CB 4.17Å; D656-D676 HydrophobicContact CB-CB 3.93Å
657E89.3Confident88.6Confident50 Ų5041.1 Ų41.123%0.23420%0.2CC..  trans-58.4141.6-175.2-56.4-178.7-178.100112.8Y617 A633 S674 A675Y617-E657 HydrophobicContact CE2-CB 4.02Å; Y617-E657 VanDerWaalsContact CE2-OE2 3.24Å; Y617-E657 WeakPolarHBondContact CE2-OE2 3.47Å; Y617-E657 PolarHBondContact OH-OE2 2.97Å; A633-E657 HydrophobicContact CB-CG 4.22Å; E657-S674 VanDerWaalsContact O-CA 3.24Å; E657-S674 WeakPolarHBondContact O-CA 3.29Å; E657-S674 VanDerWaalsContact O-CB 3.23Å; E657-S674 WeakPolarHBondContact O-CB 3.38Å; E657-S674 PolarHBondContact O-OG 3.34Å; E657-A675 PolarHBondContact O-N 3.11Å
658I95.1Very high89.4Confident0 Ų037.5 Ų37.50%019%0.192CC..EExtended strand (participates in β ladder)trans-100.2114.1-179.3-51.7170.5000108.7Y617 C631 G632 A653 H654 T672 C673Y617-I658 WeakPolarHBondContact CD2-O 3.33Å; C631-I658 HydrophobicContact CB-CB 3.79Å; C631-I658 HydrophobicContact CB-CD1 4.25Å; C631-I658 HydrophobicContact CB-CG2 3.52Å; C631-I658 VanDerWaalsContact SG-CG2 3.6Å; G632-I658 PolarHBondContact O-N 3.32Å; G632-I658 VanDerWaalsContact O-N 3.16Å; A653-I658 HydrophobicContact CB-CD1 3.79Å; H654-I658 HydrophobicContact CB-CG1 4.12Å; I658-T672 HydrophobicContact CG2-CG2 4.31Å; I658-C673 WeakPolarHBondContact CG2-O 3.42Å
659L93.9Very high90.1Very high37 Ų3735.6 Ų35.619%0.19418%0.18CC..EExtended strand (participates in β ladder)trans-83.2-35-171.1-59.1-179.5000112.4Y617 C673 Q699 V700Y617-L659 HydrophobicContact CD2-CD2 4.05Å; Y617-L659 HydrophobicContact CE2-CD2 4.11Å; L659-C673 PolarHBondContact N-O 3.45Å; L659-Q699 HydrophobicContact CD1-CB 4.33Å; L659-Q699 HydrophobicContact CD1-CG 4.48Å; L659-V700 WeakPolarHBondContact CD1-O 3.48Å
660C94.9Very high90.6Very high4 Ų434 Ų343%0.02717%0.172CC..EExtended strand (participates in β ladder)trans-150.4149.4-179.2-175.70000111.5C631 C673 N701C631-C660 VanDerWaalsContact SG-C 3.58Å; C660-C673 PolarHBondContact N-O 3.36Å; C660-C673 PolarHBondContact O-N 3.07Å; C660-N701 WeakPolarHBondContact CB-O 3.42Å
661C95.8Very high91.1Very high0 Ų029.5 Ų29.50%015%0.151CC..EExtended strand (participates in β ladder)trans-136.5148.5172.365.30000111.3H618 C631 L637 A671 T672H618-C661 PolarHBondContact CD2-O 3Å; C631-C661 HydrophobicContact CB-CB 4.12Å; L637-C661 HydrophobicContact CD1-CB 4.28Å; C661-A671 CarbonylContact C-O 3.59Å; C661-A671 WeakPolarHBondContact CA-O 3.49Å; C661-T672 HydrophobicContact CB-CG2 4.18Å
662A95.1Very high91.4Very high3 Ų328.7 Ų28.73%0.02515%0.147CC..EExtended strand (participates in β ladder)trans-146.914217800000112.3V670 A671 C703 F705A662-V670 WeakPolarHBondContact O-CA 3.27Å; A662-A671 PolarHBondContact N-O 2.87Å; A662-A671 PolarHBondContact O-N 3.33Å; A662-C703 WeakPolarHBondContact CB-O 3.22Å; A662-F705 HydrophobicContact CB-CD2 4.29Å; A662-F705 WeakPolarHBondContact O-CE2 3.06Å
663F94.6Very high91.8Very high6 Ų620.1 Ų20.13%0.02611%0.109CC..EExtended strand (participates in β ladder)trans-80147.2169.9-80.7-77.6000112F621 R627 A629 V639 D667 V670 F705F621-F663 WeakPolarHBondContact O-CD2 3.17Å; R627-F663 HydrophobicContact CB-CZ 4.28Å; A629-F663 HydrophobicContact CB-CD2 4.06Å; A629-F663 HydrophobicContact CB-CE1 4.47Å; A629-F663 HydrophobicContact CB-CE2 3.3Å; A629-F663 HydrophobicContact CB-CZ 3.54Å; V639-F663 HydrophobicContact CG1-CZ 4.4Å; F663-D667 HydrophobicContact CD1-CB 4.31Å; F663-V670 HydrophobicContact CD1-CG2 3.55Å; F663-V670 HydrophobicContact CE1-CG2 3.4Å; F663-V670 HydrophobicContact CG-CG2 4.34Å; F663-V670 HydrophobicContact CZ-CG2 4.11Å; F663-F705 VanDerWaalsContact C-CD2 3.41Å; F663-F705 VanDerWaalsContact O-CD2 3.32Å; F663-F705 WeakPolarHBondContact O-CD2 3.37Å
664S93Very high92.2Very high0 Ų020 Ų200%011%0.108CC..  trans-69.7159165.260.50000111.4H623 D666 D667 S668 F669H623-S664 PolarHBondContact CE1-O 3.09Å; H623-S664 PolarHBondContact ND1-O 3.38Å; S664-D666 WeakPolarHBondContact CB-OD1 3.36Å; S664-D666 PolarHBondContact O-N 3.27Å; S664-D666 PolarHBondContact OG-OD1 2.94Å; S664-D667 WeakPolarHBondContact O-CA 3.3Å; S664-D667 PolarHBondContact O-N 3.44Å; S664-S668 PolarHBondContact OG-N 3.29Å; S664-F669 PolarHBondContact N-O 3.02Å; S664-F669 PolarHBondContact OG-N 3.21Å; S664-F669 PolarHBondContact OG-O 3.04Å
665A87.8Confident92.2Very high18 Ų1820.4 Ų20.415%0.14911%0.113CC..THydrogen-bonded Turntrans-55.3-25.3179.500000115.2N707A665-N707 VanDerWaalsContact CB-O 3.23Å; A665-N707 WeakPolarHBondContact CB-O 3.34Å
666D87.6Confident92.4Very high52 Ų5215.8 Ų15.828%0.2789%0.089SC..THydrogen-bonded Turntrans-102.23.7178.173.6-33.4000113.2S664 S668 Y712S664-D666 WeakPolarHBondContact CB-OD1 3.36Å; S664-D666 PolarHBondContact O-N 3.27Å; S664-D666 PolarHBondContact OG-OD1 2.94Å; D666-S668 VanDerWaalsContact CG-OG 3.32Å; D666-S668 PolarHBondContact O-N 3.18Å; D666-S668 PolarHBondContact OD1-N 3Å; D666-S668 WeakPolarHBondContact OD2-CB 3.39Å; D666-S668 PolarHBondContact OD2-OG 3.42Å; D666-Y712 VanDerWaalsContact CG-OH 3.32Å; D666-Y712 WeakPolarHBondContact OD1-CE1 3.42Å; D666-Y712 PolarHBondContact OD2-OH 3.39Å
667D90.8Very high92.7Very high6 Ų618 Ų183%0.03210%0.097CC..SBendtrans55.419.1-176-53.3-42.7000115S622 H623 D624 R627 F663 S664 S684S622-D667 WeakPolarHBondContact CA-OD1 3.49Å; H623-D667 IonicContact CG-OD1 2.68Å; H623-D667 VanDerWaalsContact N-CG 3.27Å; H623-D667 PolarHBondContact N-OD1 2.92Å; H623-D667 PolarHBondContact N-OD2 2.9Å; H623-D667 IonicContact ND1-OD1 2.63Å; H623-D667 PolarHBondContact ND1-OD1 3.36Å; H623-D667 VanDerWaalsContact ND1-OD1 3.08Å; D624-D667 PolarHBondContact N-OD2 3.34Å; R627-D667 PolarHBondContact NH2-O 3.2Å; F663-D667 HydrophobicContact CD1-CB 4.31Å; S664-D667 WeakPolarHBondContact O-CA 3.3Å; S664-D667 PolarHBondContact O-N 3.44Å; D667-S684 WeakPolarHBondContact O-CB 3.35Å; D667-S684 PolarHBondContact O-OG 2.91Å
668S89.9Confident92.9Very high34 Ų3418.2 Ų18.224%0.23810%0.097CC..SBendtrans-77.5-29.8176.3-68.40000112.6S664 D666 S684S664-S668 PolarHBondContact OG-N 3.29Å; D666-S668 VanDerWaalsContact CG-OG 3.32Å; D666-S668 PolarHBondContact O-N 3.18Å; D666-S668 PolarHBondContact OD1-N 3Å; D666-S668 WeakPolarHBondContact OD2-CB 3.39Å; D666-S668 PolarHBondContact OD2-OG 3.42Å; S668-S684 PolarHBondContact O-N 3Å; S668-S684 PolarHBondContact O-OG 3.44Å
669F92.9Very high92.9Very high43 Ų4318.3 Ų18.319%0.18910%0.097CC..EExtended strand (participates in β ladder)trans-124.8151.4-176-56.5-70.5000112S664 I681 W682 M690 Y712S664-F669 PolarHBondContact N-O 3.02Å; S664-F669 PolarHBondContact OG-N 3.21Å; S664-F669 PolarHBondContact OG-O 3.04Å; F669-I681 HydrophobicContact CB-CG2 4.1Å; F669-I681 HydrophobicContact CD1-CG2 4.3Å; F669-I681 HydrophobicContact CG-CG2 4.41Å; F669-W682 CarbonylContact C-O 3.51Å; F669-W682 VanDerWaalsContact CA-O 3.27Å; F669-W682 WeakPolarHBondContact CA-O 3.48Å; F669-M690 HydrophobicContact CE1-CG 4.24Å; F669-Y712 HydrophobicContact CD2-CE1 4.28Å; F669-Y712 HydrophobicContact CE2-CE1 4.41Å; F669-Y712 HydrophobicContact CE2-CE2 4.24Å
670V95.1Very high93Very high0 Ų017.9 Ų17.90%09%0.094CC..EExtended strand (participates in β ladder)trans-125126.8169.4-176.90000108.3A629 L637 A662 F663 W682A629-V670 HydrophobicContact CB-CG1 4.3Å; L637-V670 HydrophobicContact CD1-CG1 4.05Å; L637-V670 HydrophobicContact CD2-CB 4.2Å; L637-V670 HydrophobicContact CD2-CG1 3.82Å; A662-V670 WeakPolarHBondContact O-CA 3.27Å; F663-V670 HydrophobicContact CD1-CG2 3.55Å; F663-V670 HydrophobicContact CE1-CG2 3.4Å; F663-V670 HydrophobicContact CG-CG2 4.34Å; F663-V670 HydrophobicContact CZ-CG2 4.11Å; V670-W682 PolarHBondContact N-O 3.19Å; V670-W682 PolarHBondContact O-N 3.13Å
671A95.7Very high93Very high0 Ų017.7 Ų17.70%09%0.092CC..EExtended strand (participates in β ladder)trans-94.1141.7170.900000109.5C661 A662 K680 I681 F705 L714C661-A671 CarbonylContact C-O 3.59Å; C661-A671 WeakPolarHBondContact CA-O 3.49Å; A662-A671 PolarHBondContact N-O 2.87Å; A662-A671 PolarHBondContact O-N 3.33Å; A671-K680 WeakPolarHBondContact CA-O 3.45Å; A671-I681 HydrophobicContact CB-CD1 3.61Å; A671-F705 HydrophobicContact CB-CD2 4.31Å; A671-F705 HydrophobicContact CB-CE2 3.44Å; A671-F705 VanDerWaalsContact CB-CE2 3.44Å; A671-F705 HydrophobicContact CB-CZ 3.66Å; A671-L714 HydrophobicContact CB-CD1 3.84Å; A671-L714 HydrophobicContact CB-CD2 4.03Å
672T96.7Very high92.9Very high0 Ų018.7 Ų18.70%010%0.096CC..EExtended strand (participates in β ladder)trans-127.6137.8171.155.60000109.4L637 H654 I658 C661 V679 K680 W682L637-T672 HydrophobicContact CB-CG2 4.2Å; L637-T672 HydrophobicContact CD1-CG2 3.96Å; L637-T672 HydrophobicContact CD2-CG2 3.82Å; L637-T672 HydrophobicContact CG-CG2 4.21Å; H654-T672 PolarHBondContact CD2-OG1 3.35Å; H654-T672 PolarHBondContact NE2-OG1 2.93Å; I658-T672 HydrophobicContact CG2-CG2 4.31Å; C661-T672 HydrophobicContact CB-CG2 4.18Å; T672-V679 WeakPolarHBondContact O-CA 3.26Å; T672-K680 PolarHBondContact N-O 3.46Å; T672-K680 PolarHBondContact O-N 2.96Å; T672-K680 PolarHBondContact OG1-O 2.89Å; T672-W682 PolarHBondContact OG1-NE1 3.28Å
673C95.5Very high92.9Very high0 Ų020.4 Ų20.40%011%0.105CC..EExtended strand (participates in β ladder)trans-127.1143.4171.965.10000110.9I658 L659 C660 V679 V700 C703I658-C673 WeakPolarHBondContact CG2-O 3.42Å; L659-C673 PolarHBondContact N-O 3.45Å; C660-C673 PolarHBondContact N-O 3.36Å; C660-C673 PolarHBondContact O-N 3.07Å; C673-V679 HydrophobicContact CB-CG2 4.05Å; C673-V700 HydrophobicContact CB-CB 3.83Å; C673-V700 HydrophobicContact CB-CG1 3.56Å; C673-V700 PolarHBondContact SG-O 3.14Å; C673-C703 HydrophobicContact CB-CB 4.13Å
674S94.7Very high92.6Very high0 Ų020.3 Ų20.30%011%0.105CC..EExtended strand (participates in β ladder)trans-137162.7-164.1170.40000112.7H654 D656 E657 D676 K677 K678 V700H654-S674 VanDerWaalsContact CG-CB 3.46Å; H654-S674 VanDerWaalsContact ND1-CB 3.34Å; H654-S674 WeakPolarHBondContact ND1-CB 3.35Å; D656-S674 PolarHBondContact O-OG 3.31Å; E657-S674 VanDerWaalsContact O-CA 3.24Å; E657-S674 WeakPolarHBondContact O-CA 3.29Å; E657-S674 VanDerWaalsContact O-CB 3.23Å; E657-S674 WeakPolarHBondContact O-CB 3.38Å; E657-S674 PolarHBondContact O-OG 3.34Å; S674-D676 VanDerWaalsContact CB-OD1 3.28Å; S674-D676 WeakPolarHBondContact CB-OD1 3.41Å; S674-D676 PolarHBondContact O-N 3.09Å; S674-D676 PolarHBondContact OG-N 2.88Å; S674-D676 VanDerWaalsContact OG-N 3.13Å; S674-D676 PolarHBondContact OG-OD1 3.47Å; S674-K677 PolarHBondContact O-N 2.96Å; S674-K678 PolarHBondContact N-O 3.2Å; S674-V700 PolarHBondContact O-N 2.91Å
675A90.3Very high92.4Very high17 Ų1729.2 Ų29.214%0.1414%0.139CC..THydrogen-bonded Turntrans-58.2-20166.600000113.3D656 E657 K677 Q699D656-A675 HydrophobicContact CB-CB 4.17Å; E657-A675 PolarHBondContact O-N 3.11Å; A675-K677 PolarHBondContact O-N 3.09Å; A675-Q699 HydrophobicContact CB-CB 4.45Å
676D87.5Confident92.3Very high28 Ų2832.1 Ų32.115%0.1516%0.155CC..THydrogen-bonded Turntrans-69.62.4174.578.4-3.2000114.5H654 D656 S674 K678H654-D676 IonicContact CE1-OD1 2.7Å; H654-D676 IonicContact CE1-OD2 2.8Å; H654-D676 IonicContact CG-OD2 3.12Å; H654-D676 VanDerWaalsContact ND1-CG 3.29Å; H654-D676 IonicContact ND1-OD1 3.93Å; H654-D676 PolarHBondContact ND1-OD1 3.01Å; H654-D676 IonicContact ND1-OD2 3.43Å; H654-D676 PolarHBondContact ND1-OD2 3.43Å; D656-D676 HydrophobicContact CB-CB 3.93Å; S674-D676 VanDerWaalsContact CB-OD1 3.28Å; S674-D676 WeakPolarHBondContact CB-OD1 3.41Å; S674-D676 PolarHBondContact O-N 3.09Å; S674-D676 PolarHBondContact OG-N 2.88Å; S674-D676 VanDerWaalsContact OG-N 3.13Å; S674-D676 PolarHBondContact OG-OD1 3.47Å; D676-K678 PolarHBondContact O-N 3.19Å; D676-K678 WeakPolarHBondContact OD1-CA 3.45Å; D676-K678 VanDerWaalsContact OD1-CB 3.22Å; D676-K678 WeakPolarHBondContact OD1-CB 3.43Å; D676-K678 PolarHBondContact OD1-N 3.44Å
677K91.6Very high92.3Very high81 Ų8130.3 Ų30.335%0.35215%0.149SC..SBendtrans73.27.5179.2-43.3179.8171.1-157.40114.2S674 A675 S697 E698S674-K677 PolarHBondContact O-N 2.96Å; A675-K677 PolarHBondContact O-N 3.09Å; K677-S697 VanDerWaalsContact CD-O 3.29Å; K677-S697 WeakPolarHBondContact CD-O 3.46Å; K677-S697 WeakPolarHBondContact CE-O 3.28Å; K677-S697 PolarHBondContact NZ-O 3.38Å; K677-E698 IonicContact NZ-OE1 2.62Å; K677-E698 IonicContact NZ-OE2 3.37Å; K677-E698 PolarHBondContact NZ-OE2 3.28Å; K677-E698 VanDerWaalsContact NZ-OE2 3.13Å
678K92.8Very high92.3Very high54 Ų5436.2 Ų36.224%0.23518%0.176CC..  trans-107.7152.1-176.3-50.1-175.7-179.9-165.60111.7H654 S674 D676 V692 E694H654-K678 PolarHBondContact CE1-O 3.36Å; S674-K678 PolarHBondContact N-O 3.2Å; D676-K678 PolarHBondContact O-N 3.19Å; D676-K678 WeakPolarHBondContact OD1-CA 3.45Å; D676-K678 VanDerWaalsContact OD1-CB 3.22Å; D676-K678 WeakPolarHBondContact OD1-CB 3.43Å; D676-K678 PolarHBondContact OD1-N 3.44Å; K678-V692 HydrophobicContact CD-CG1 4.48Å; K678-E694 HydrophobicContact CD-CG 3.97Å; K678-E694 VanDerWaalsContact CD-OE1 3.26Å; K678-E694 WeakPolarHBondContact CD-OE1 3.33Å; K678-E694 WeakPolarHBondContact CE-OE1 3.31Å; K678-E694 HydrophobicContact CG-CG 3.99Å; K678-E694 IonicContact NZ-OE1 3.67Å; K678-E694 PolarHBondContact NZ-OE1 3.03Å; K678-E694 IonicContact NZ-OE2 2.72Å
679V95.4Very high92.3Very high1 Ų137.3 Ų37.31%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-116.6123.1168.6-176.90000108.2T672 C673 I681 Y693 V700 L714 T716T672-V679 WeakPolarHBondContact O-CA 3.26Å; C673-V679 HydrophobicContact CB-CG2 4.05Å; V679-I681 HydrophobicContact CG1-CD1 4.46Å; V679-Y693 PolarHBondContact N-O 2.85Å; V679-Y693 PolarHBondContact O-N 2.84Å; V679-V700 HydrophobicContact CG2-CB 4.44Å; V679-V700 HydrophobicContact CG2-CG1 4.03Å; V679-V700 HydrophobicContact CG2-CG2 4.18Å; V679-L714 HydrophobicContact CG1-CD2 3.81Å; V679-T716 HydrophobicContact CG1-CG2 4.12Å; V679-T716 HydrophobicContact CG2-CG2 3.81Å
680K95.3Very high92.2Very high28 Ų2839.7 Ų39.712%0.12220%0.196CC..EExtended strand (participates in β ladder)trans-117.8143.4-179.3-65.7-178.9-171.6173.40110.6A653 A671 T672 W682 H691 V692A653-K680 WeakPolarHBondContact O-CD 3.07Å; A653-K680 WeakPolarHBondContact O-CE 3.39Å; A653-K680 PolarHBondContact O-NZ 3.41Å; A671-K680 WeakPolarHBondContact CA-O 3.45Å; T672-K680 PolarHBondContact N-O 3.46Å; T672-K680 PolarHBondContact O-N 2.96Å; T672-K680 PolarHBondContact OG1-O 2.89Å; K680-W682 HydrophobicContact CB-CZ2 3.91Å; K680-W682 HydrophobicContact CD-CH2 4.44Å; K680-W682 HydrophobicContact CD-CZ2 3.71Å; K680-W682 HydrophobicContact CG-CZ2 4.45Å; K680-H691 WeakPolarHBondContact CA-O 3.45Å; K680-V692 HydrophobicContact CG-CB 4.49Å; K680-V692 HydrophobicContact CG-CG1 4.08Å; K680-V692 HydrophobicContact CG-CG2 4.15Å
681I94.9Very high91.8Very high0 Ų042 Ų420%021%0.207CC..EExtended strand (participates in β ladder)trans-117.5125.6-179.2-47.2-66.9000108.6F669 A671 V679 M690 H691 Y693 F705 L714 L728F669-I681 HydrophobicContact CB-CG2 4.1Å; F669-I681 HydrophobicContact CD1-CG2 4.3Å; F669-I681 HydrophobicContact CG-CG2 4.41Å; A671-I681 HydrophobicContact CB-CD1 3.61Å; V679-I681 HydrophobicContact CG1-CD1 4.46Å; I681-M690 PolarHBondContact O-N 2.9Å; I681-H691 HydrophobicContact CB-CB 4.17Å; I681-H691 HydrophobicContact CG1-CB 4.04Å; I681-H691 PolarHBondContact N-O 3.34Å; I681-H691 PolarHBondContact O-N 2.93Å; I681-Y693 HydrophobicContact CD1-CE2 4.46Å; I681-Y693 HydrophobicContact CG1-CD2 4.48Å; I681-Y693 HydrophobicContact CG1-CE2 4Å; I681-F705 HydrophobicContact CD1-CZ 4.18Å; I681-L714 HydrophobicContact CD1-CD2 3.7Å; I681-L728 HydrophobicContact CB-CD2 4.22Å; I681-L728 HydrophobicContact CD1-CD2 4.31Å; I681-L728 HydrophobicContact CG1-CD2 3.82Å; I681-L728 HydrophobicContact CG2-CD2 3.8Å
682W94.8Very high91.7Very high21 Ų2145.2 Ų45.28%0.0823%0.226CC..EExtended strand (participates in β ladder)trans-115.1144.1-174.3-54.392.3000110.2L637 I651 A653 F669 V670 T672 K680 S684 Q688 C689L637-W682 HydrophobicContact CD2-CB 4.34Å; L637-W682 HydrophobicContact CD2-CG 4.08Å; I651-W682 HydrophobicContact CD1-CE3 4.49Å; I651-W682 HydrophobicContact CG2-CD2 4.12Å; I651-W682 HydrophobicContact CG2-CE3 3.64Å; I651-W682 HydrophobicContact CG2-CH2 3.79Å; I651-W682 HydrophobicContact CG2-CZ2 4.26Å; I651-W682 HydrophobicContact CG2-CZ3 3.44Å; I651-W682 VanDerWaalsContact CG2-CZ3 3.44Å; A653-W682 VanDerWaalsContact CA-CZ2 3.43Å; A653-W682 HydrophobicContact CB-CH2 4.35Å; A653-W682 HydrophobicContact CB-CZ2 3.56Å; A653-W682 WeakPolarHBondContact O-CZ2 3.39Å; F669-W682 CarbonylContact C-O 3.51Å; F669-W682 VanDerWaalsContact CA-O 3.27Å; F669-W682 WeakPolarHBondContact CA-O 3.48Å; V670-W682 PolarHBondContact N-O 3.19Å; V670-W682 PolarHBondContact O-N 3.13Å; T672-W682 PolarHBondContact OG1-NE1 3.28Å; K680-W682 HydrophobicContact CB-CZ2 3.91Å; K680-W682 HydrophobicContact CD-CH2 4.44Å; K680-W682 HydrophobicContact CD-CZ2 3.71Å; K680-W682 HydrophobicContact CG-CZ2 4.45Å; W682-S684 PolarHBondContact O-N 3.31Å; W682-Q688 WeakPolarHBondContact CA-O 3.35Å; W682-C689 HydrophobicContact CD2-CB 4.49Å; W682-C689 HydrophobicContact CE3-CB 3.77Å; W682-C689 HydrophobicContact CH2-CB 3.87Å; W682-C689 HydrophobicContact CZ3-CB 3.45Å; W682-C689 VanDerWaalsContact CZ3-CB 3.45Å
683N93.1Very high91.5Very high40 Ų4045.7 Ų45.721%0.21423%0.228CC..EExtended strand (participates in β ladder)trans-73.5123.3165.1-176.1-54.8000109.2R685 T686 G687 Q688 M690N683-R685 PolarHBondContact O-N 3.32Å; N683-R685 VanDerWaalsContact O-N 3.16Å; N683-R685 PolarHBondContact OD1-N 3.05Å; N683-T686 VanDerWaalsContact CB-OG1 3.29Å; N683-T686 WeakPolarHBondContact CB-OG1 3.43Å; N683-T686 VanDerWaalsContact CG-OG1 3.31Å; N683-T686 PolarHBondContact OD1-N 3.46Å; N683-T686 VanDerWaalsContact OD1-N 3.16Å; N683-G687 WeakPolarHBondContact O-CA 3.04Å; N683-G687 PolarHBondContact O-N 3.26Å; N683-Q688 PolarHBondContact N-O 3.46Å; N683-M690 HydrophobicContact CB-CG 4.37Å
684S88.8Confident91.2Very high4 Ų451.5 Ų51.53%0.02826%0.255CS..THydrogen-bonded Turntrans-69-13.1-173.175.10000114.7R627 L649 D667 S668 W682R627-S684 PolarHBondContact NH1-O 2.79Å; R627-S684 PolarHBondContact NH1-OG 3.3Å; L649-S684 WeakPolarHBondContact CD1-O 3.28Å; D667-S684 WeakPolarHBondContact O-CB 3.35Å; D667-S684 PolarHBondContact O-OG 2.91Å; S668-S684 PolarHBondContact O-N 3Å; S668-S684 PolarHBondContact O-OG 3.44Å; W682-S684 PolarHBondContact O-N 3.31Å
685R88.4Confident90.9Very high187 Ų18755.5 Ų55.571%0.70627%0.273SS*.THydrogen-bonded Turntrans-105-39.4-179.3-61.9-177.4-176.5172.32.7112.6N683N683-R685 PolarHBondContact O-N 3.32Å; N683-R685 VanDerWaalsContact O-N 3.16Å; N683-R685 PolarHBondContact OD1-N 3.05Å
686T87.3Confident90.9Very high78 Ų7855.3 Ų55.348%0.47927%0.27SS..THydrogen-bonded Turntrans-97.6-18.5-176.264.70000113.5N683 Q688N683-T686 VanDerWaalsContact CB-OG1 3.29Å; N683-T686 WeakPolarHBondContact CB-OG1 3.43Å; N683-T686 VanDerWaalsContact CG-OG1 3.31Å; N683-T686 PolarHBondContact OD1-N 3.46Å; N683-T686 VanDerWaalsContact OD1-N 3.16Å; T686-Q688 PolarHBondContact O-N 3.1Å; T686-Q688 PolarHBondContact OG1-N 3.42Å
687G86.6Confident91Very high15 Ų1557.3 Ų57.316%0.15529%0.286CS..  trans68.313-174.100000114.7N683N683-G687 WeakPolarHBondContact O-CA 3.04Å; N683-G687 PolarHBondContact O-N 3.26Å
688Q90.3Very high91Very high130 Ų13057.7 Ų57.761%0.60729%0.289SS*.  trans-79.8137.8176.7-68-179.4-11.600111.3W682 N683 T686 M690W682-Q688 WeakPolarHBondContact CA-O 3.35Å; N683-Q688 PolarHBondContact N-O 3.46Å; T686-Q688 PolarHBondContact O-N 3.1Å; T686-Q688 PolarHBondContact OG1-N 3.42Å; Q688-M690 PolarHBondContact O-N 3.26Å
689C91.3Very high90.9Very high56 Ų5658.2 Ų58.238%0.37829%0.292SS..EExtended strand (participates in β ladder)trans-72.5119.9173.6-169.30000109.8W682W682-C689 HydrophobicContact CD2-CB 4.49Å; W682-C689 HydrophobicContact CE3-CB 3.77Å; W682-C689 HydrophobicContact CH2-CB 3.87Å; W682-C689 HydrophobicContact CZ3-CB 3.45Å; W682-C689 VanDerWaalsContact CZ3-CB 3.45Å
690M89.4Confident90.9Very high93 Ų9358.2 Ų58.246%0.45829%0.292SS..EExtended strand (participates in β ladder)trans-92.1-48.1179.9-66.3-62.3-5900111.7F669 I681 N683 Q688F669-M690 HydrophobicContact CE1-CG 4.24Å; I681-M690 PolarHBondContact O-N 2.9Å; N683-M690 HydrophobicContact CB-CG 4.37Å; Q688-M690 PolarHBondContact O-N 3.26Å
691H87.9Confident90.8Very high50 Ų5058.1 Ų58.123%0.23129%0.293CS..EExtended strand (participates in β ladder)trans-137.7146.2-177.1-67.2-81.4000111K680 I681 Y693K680-H691 WeakPolarHBondContact CA-O 3.45Å; I681-H691 HydrophobicContact CB-CB 4.17Å; I681-H691 HydrophobicContact CG1-CB 4.04Å; I681-H691 PolarHBondContact N-O 3.34Å; I681-H691 PolarHBondContact O-N 2.93Å; H691-Y693 HydrophobicContact CB-CE2 4.2Å
692V92.6Very high90.7Very high66 Ų6658.3 Ų58.340%0.429%0.294SS..EExtended strand (participates in β ladder)trans-128.2123171.6-174.90000107K678 K680 E694K678-V692 HydrophobicContact CD-CG1 4.48Å; K680-V692 HydrophobicContact CG-CB 4.49Å; K680-V692 HydrophobicContact CG-CG1 4.08Å; K680-V692 HydrophobicContact CG-CG2 4.15Å; V692-E694 HydrophobicContact CG1-CG 3.9Å
693Y92.3Very high90.7Very high10 Ų1057.3 Ų57.34%0.03929%0.29CS..EExtended strand (participates in β ladder)trans-110.5123.8176.1-59.4-62.4000109.5V679 I681 H691 W726 R730V679-Y693 PolarHBondContact N-O 2.85Å; V679-Y693 PolarHBondContact O-N 2.84Å; I681-Y693 HydrophobicContact CD1-CE2 4.46Å; I681-Y693 HydrophobicContact CG1-CD2 4.48Å; I681-Y693 HydrophobicContact CG1-CE2 4Å; H691-Y693 HydrophobicContact CB-CE2 4.2Å; Y693-W726 AromaticContact CD1-CE3 3.59Å; Y693-W726 HydrophobicContact CD1-CE3 3.59Å; Y693-W726 AromaticContact CD1-CZ3 3.6Å; Y693-W726 HydrophobicContact CD1-CZ3 3.6Å; Y693-W726 HydrophobicContact CD2-CD2 4.18Å; Y693-W726 HydrophobicContact CD2-CE3 4.01Å; Y693-W726 HydrophobicContact CD2-CZ3 4.47Å; Y693-W726 AromaticContact CE1-CE3 3.96Å; Y693-W726 HydrophobicContact CE1-CE3 3.96Å; Y693-W726 HydrophobicContact CE1-CZ3 4.36Å; Y693-W726 HydrophobicContact CE2-CB 4.42Å; Y693-W726 HydrophobicContact CE2-CE3 4.35Å; Y693-W726 HydrophobicContact CG-CD2 4.18Å; Y693-W726 AromaticContact CG-CE3 3.62Å; Y693-W726 HydrophobicContact CG-CE3 3.62Å; Y693-W726 HydrophobicContact CG-CH2 4.25Å; Y693-W726 AromaticContact CG-CZ3 3.67Å; Y693-W726 HydrophobicContact CG-CZ3 3.67Å; Y693-R730 PolarHBondContact OH-O 2.93Å
694E89.5Confident90.8Very high123 Ų12357.1 Ų57.158%0.57529%0.288SS*.  trans-127.865.7-176.5-54.1-171.917000109.7K678 V692K678-E694 HydrophobicContact CD-CG 3.97Å; K678-E694 VanDerWaalsContact CD-OE1 3.26Å; K678-E694 WeakPolarHBondContact CD-OE1 3.33Å; K678-E694 WeakPolarHBondContact CE-OE1 3.31Å; K678-E694 HydrophobicContact CG-CG 3.99Å; K678-E694 IonicContact NZ-OE1 3.67Å; K678-E694 PolarHBondContact NZ-OE1 3.03Å; K678-E694 IonicContact NZ-OE2 2.72Å; V692-E694 HydrophobicContact CG1-CG 3.9Å
695E89Confident91Very high83 Ų8357 Ų5739%0.38829%0.287SS..  trans-117.9-19.4175.4-61.1-174.3-169.600114.5K724 W726 C733E695-K724 HydrophobicContact CB-CD 4.36Å; E695-K724 IonicContact OE2-NZ 4Å; E695-K724 PolarHBondContact OE2-NZ 3.37Å; E695-W726 HydrophobicContact CB-CH2 3.87Å; E695-W726 HydrophobicContact CG-CH2 3.82Å; E695-W726 HydrophobicContact CG-CZ3 4.22Å; E695-C733 WeakPolarHBondContact OE1-CB 3.43Å; E695-C733 PolarHBondContact OE1-N 3.34Å; E695-C733 WeakPolarHBondContact OE2-CB 3.39Å
696H91.3Very high91.2Very high13 Ų1348.3 Ų48.36%0.0626%0.255CS..  trans-71.2138.6178.3-80.3-70.1000110V700 T716 S718 D720H696-V700 HydrophobicContact CB-CG2 3.67Å; H696-V700 VanDerWaalsContact CD2-CG2 3.44Å; H696-V700 WeakPolarHBondContact CD2-CG2 3.39Å; H696-T716 PolarHBondContact NE2-OG1 3.19Å; H696-S718 WeakPolarHBondContact ND1-CB 3.32Å; H696-D720 WeakPolarHBondContact CA-OD2 3.32Å; H696-D720 IonicContact CE1-OD2 3.55Å; H696-D720 IonicContact CG-OD2 2.74Å; H696-D720 IonicContact ND1-OD1 3.49Å; H696-D720 PolarHBondContact ND1-OD1 3.47Å; H696-D720 IonicContact ND1-OD2 3.56Å; H696-D720 PolarHBondContact ND1-OD2 3.21Å
697S88.6Confident91.2Very high70 Ų7047.6 Ų47.649%0.4925%0.248SC..SBendtrans-88-16-178.663.40000112.9K677 D720K677-S697 VanDerWaalsContact CD-O 3.29Å; K677-S697 WeakPolarHBondContact CD-O 3.46Å; K677-S697 WeakPolarHBondContact CE-O 3.28Å; K677-S697 PolarHBondContact NZ-O 3.38Å; S697-D720 PolarHBondContact N-OD2 3.37Å; S697-D720 WeakPolarHBondContact OG-CB 3.48Å
698E91.4Very high91.1Very high90 Ų9055.3 Ų55.342%0.42127%0.273SS..SBendtrans-132.8176.9176.7-65.4-58.7162.200111.5K677 S718 N719 D720K677-E698 IonicContact NZ-OE1 2.62Å; K677-E698 IonicContact NZ-OE2 3.37Å; K677-E698 PolarHBondContact NZ-OE2 3.28Å; K677-E698 VanDerWaalsContact NZ-OE2 3.13Å; E698-S718 PolarHBondContact O-OG 3.47Å; E698-N719 HydrophobicContact CB-CB 3.82Å; E698-N719 HydrophobicContact CG-CB 4.49Å; E698-D720 HydrophobicContact CB-CB 4.16Å; E698-D720 HydrophobicContact CG-CB 4.31Å
699Q91.1Very high90.2Very high65 Ų6553.4 Ų53.430%0.30427%0.274SS..  trans-54.6144.8179.263.2175.939.800112.3L659 A675 N701 S718 N719L659-Q699 HydrophobicContact CD1-CB 4.33Å; L659-Q699 HydrophobicContact CD1-CG 4.48Å; A675-Q699 HydrophobicContact CB-CB 4.45Å; Q699-N701 PolarHBondContact NE2-OD1 2.85Å; Q699-S718 VanDerWaalsContact O-CA 3.28Å; Q699-S718 WeakPolarHBondContact O-CA 3.5Å; Q699-S718 VanDerWaalsContact O-CB 3.24Å; Q699-S718 WeakPolarHBondContact O-CB 3.37Å; Q699-S718 PolarHBondContact O-OG 2.95Å; Q699-N719 HydrophobicContact CG-CB 4.16Å; Q699-N719 VanDerWaalsContact CG-ND2 3.26Å; Q699-N719 WeakPolarHBondContact CG-ND2 3.46Å; Q699-N719 PolarHBondContact NE2-ND2 3.48Å; Q699-N719 VanDerWaalsContact NE2-ND2 3.11Å; Q699-N719 PolarHBondContact O-N 2.94Å; Q699-N719 VanDerWaalsContact O-N 3.14Å
700V95.3Very high89.2Confident0 Ų054 Ų540%029%0.289CS..EExtended strand (participates in β ladder)trans-103.2113.6-178.5-175.70000108.4L659 C673 S674 V679 H696 T716 C717L659-V700 WeakPolarHBondContact CD1-O 3.48Å; C673-V700 HydrophobicContact CB-CB 3.83Å; C673-V700 HydrophobicContact CB-CG1 3.56Å; C673-V700 PolarHBondContact SG-O 3.14Å; S674-V700 PolarHBondContact O-N 2.91Å; V679-V700 HydrophobicContact CG2-CB 4.44Å; V679-V700 HydrophobicContact CG2-CG1 4.03Å; V679-V700 HydrophobicContact CG2-CG2 4.18Å; H696-V700 HydrophobicContact CB-CG2 3.67Å; H696-V700 VanDerWaalsContact CD2-CG2 3.44Å; H696-V700 WeakPolarHBondContact CD2-CG2 3.39Å; V700-T716 HydrophobicContact CG1-CG2 4.35Å; V700-C717 CarbonylContact C-O 3.54Å; V700-C717 WeakPolarHBondContact CA-O 3.38Å; V700-C717 WeakPolarHBondContact CG1-O 3.35Å
701N93.1Very high88.8Confident26 Ų2653.8 Ų53.814%0.13929%0.287CS..EExtended strand (participates in β ladder)trans-83.1-37.7-168-61.7-39.7000113C660 Q699 C717 N719 V744C660-N701 WeakPolarHBondContact CB-O 3.42Å; Q699-N701 PolarHBondContact NE2-OD1 2.85Å; N701-C717 PolarHBondContact N-O 3.34Å; N701-N719 PolarHBondContact ND2-OD1 3.4Å; N701-N719 PolarHBondContact OD1-OD1 2.87Å; N701-V744 PolarHBondContact ND2-O 2.83Å
702C93.1Very high88.8Confident4 Ų453.7 Ų53.73%0.02728%0.284CS..EExtended strand (participates in β ladder)trans-142.6144.4-177.1-177.40000111.4T716 C717C702-T716 WeakPolarHBondContact O-CA 3.47Å; C702-C717 VanDerWaalsContact CB-SG 3.59Å; C702-C717 PolarHBondContact O-N 3.38Å; C702-C717 VanDerWaalsContact O-N 3.11Å
703C95.1Very high88.8Confident0 Ų051 Ų510%027%0.268CS..EExtended strand (participates in β ladder)trans-134.6132.4172.764.60000110.2A662 C673 L714 A715 T716A662-C703 WeakPolarHBondContact CB-O 3.22Å; C673-C703 HydrophobicContact CB-CB 4.13Å; C703-L714 HydrophobicContact CB-CD1 4.18Å; C703-A715 WeakPolarHBondContact CA-O 3.35Å; C703-T716 HydrophobicContact CB-CG2 3.96Å
704Q94.2Very high88.9Confident36 Ų3650.5 Ų50.517%0.16827%0.266CS..EExtended strand (participates in β ladder)trans-139.3131.1-178.3-174.863.833.400110.8A715 K748 F749Q704-A715 PolarHBondContact N-O 3.02Å; Q704-A715 PolarHBondContact O-N 2.93Å; Q704-K748 HydrophobicContact CG-CG 4.39Å; Q704-F749 HydrophobicContact CG-CD2 4.27Å; Q704-F749 VanDerWaalsContact O-CE2 3.29Å; Q704-F749 WeakPolarHBondContact O-CE2 3.21Å
705F94.3Very high89.2Confident1 Ų144.6 Ų44.60%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-81157.6171.2-78.6-67.8000112A662 F663 A671 I681 L713 L714 L728 F749A662-F705 HydrophobicContact CB-CD2 4.29Å; A662-F705 WeakPolarHBondContact O-CE2 3.06Å; F663-F705 VanDerWaalsContact C-CD2 3.41Å; F663-F705 VanDerWaalsContact O-CD2 3.32Å; F663-F705 WeakPolarHBondContact O-CD2 3.37Å; A671-F705 HydrophobicContact CB-CD2 4.31Å; A671-F705 HydrophobicContact CB-CE2 3.44Å; A671-F705 VanDerWaalsContact CB-CE2 3.44Å; A671-F705 HydrophobicContact CB-CZ 3.66Å; I681-F705 HydrophobicContact CD1-CZ 4.18Å; F705-L713 WeakPolarHBondContact CA-O 3.24Å; F705-L713 WeakPolarHBondContact CD1-O 3.18Å; F705-L714 HydrophobicContact CD1-CB 4.05Å; F705-L714 HydrophobicContact CD1-CD1 3.86Å; F705-L714 HydrophobicContact CD2-CD1 4.17Å; F705-L714 HydrophobicContact CE1-CB 3.88Å; F705-L714 HydrophobicContact CE1-CD1 3.81Å; F705-L714 HydrophobicContact CE1-CG 4.3Å; F705-L714 HydrophobicContact CE2-CD1 4.22Å; F705-L714 HydrophobicContact CG-CD1 4.04Å; F705-L714 HydrophobicContact CZ-CD1 4.04Å; F705-L728 HydrophobicContact CD1-CD1 4.39Å; F705-L728 HydrophobicContact CE1-CD1 3.41Å; F705-L728 VanDerWaalsContact CE1-CD1 3.41Å; F705-L728 HydrophobicContact CE1-CG 4.45Å; F705-L728 HydrophobicContact CZ-CD1 3.96Å; F705-F749 WeakPolarHBondContact O-CD2 3.28Å
706N92.3Very high89.5Confident5 Ų540.7 Ų40.73%0.02722%0.22CC..  trans-70.1157.9167.674.4-63.6000111.6R708 Q711 L713 F749 D753N706-R708 PolarHBondContact ND2-O 3.22Å; N706-R708 VanDerWaalsContact ND2-O 3.15Å; N706-Q711 PolarHBondContact ND2-O 2.87Å; N706-Q711 PolarHBondContact OD1-O 2.95Å; N706-L713 HydrophobicContact CB-CB 4.27Å; N706-L713 PolarHBondContact N-O 2.08Å; N706-L713 PolarHBondContact OD1-N 2.8Å; N706-L713 PolarHBondContact OD1-O 3.15Å; N706-F749 HydrophobicContact CB-CD1 4.44Å; N706-F749 HydrophobicContact CB-CD2 4.39Å; N706-F749 HydrophobicContact CB-CE1 4.41Å; N706-F749 HydrophobicContact CB-CE2 4.34Å; N706-F749 HydrophobicContact CB-CG 4.43Å; N706-F749 HydrophobicContact CB-CZ 4.36Å; N706-D753 PolarHBondContact ND2-OD2 2.82Å
707N86.8Confident89.6Confident63 Ų6340 Ų4034%0.33722%0.217SC..SBendtrans-90-21.2-171.5-55.4-67.5000113.7A665 S750 D753A665-N707 VanDerWaalsContact CB-O 3.23Å; A665-N707 WeakPolarHBondContact CB-O 3.34Å; N707-S750 PolarHBondContact ND2-O 3.15Å; N707-S750 VanDerWaalsContact ND2-O 3.16Å; N707-D753 WeakPolarHBondContact CB-OD1 3.29Å; N707-D753 VanDerWaalsContact N-CG 3.35Å; N707-D753 PolarHBondContact N-OD1 2.91Å; N707-D753 PolarHBondContact N-OD2 3.25Å; N707-D753 VanDerWaalsContact N-OD2 3.12Å; N707-D753 PolarHBondContact ND2-OD1 2.94Å
708R83.6Confident89.9Confident178 Ų17836.7 Ų36.767%0.67219%0.194SC*.SBendtrans-82130.6-179.1179.7177.2-84.1-173.6-3.8112N706 D753N706-R708 PolarHBondContact ND2-O 3.22Å; N706-R708 VanDerWaalsContact ND2-O 3.15Å; R708-D753 WeakPolarHBondContact CB-OD2 3.35Å; R708-D753 PolarHBondContact N-OD2 2.63Å
709S72.9Confident90Very high90 Ų9034.8 Ų34.863%0.62919%0.186SC*.THydrogen-bonded Turntrans-69.2138.8171.856.40000112.4
710G70.6Confident90Very high67 Ų6732.3 Ų32.369%0.69118%0.175SC*.THydrogen-bonded Turntrans102.8-15.717400000116.1
711Q81.1Confident89.8Confident89 Ų8934 Ų3442%0.41619%0.186SC..  trans-126.2131.2165.6-173.7176.710.800108.2N706 L713N706-Q711 PolarHBondContact ND2-O 2.87Å; N706-Q711 PolarHBondContact OD1-O 2.95Å; Q711-L713 HydrophobicContact CG-CD1 4.48Å; Q711-L713 HydrophobicContact CG-CG 4.11Å
712Y86.9Confident89.8Confident48 Ų4835.7 Ų35.719%0.18819%0.192CC..  trans-111.290.9-173.8-66.7-62.3000110.6D666 F669 L728D666-Y712 VanDerWaalsContact CG-OH 3.32Å; D666-Y712 WeakPolarHBondContact OD1-CE1 3.42Å; D666-Y712 PolarHBondContact OD2-OH 3.39Å; F669-Y712 HydrophobicContact CD2-CE1 4.28Å; F669-Y712 HydrophobicContact CE2-CE1 4.41Å; F669-Y712 HydrophobicContact CE2-CE2 4.24Å; Y712-L728 HydrophobicContact CD1-CD1 4.5Å; Y712-L728 HydrophobicContact CG-CD1 4.12Å; Y712-L728 PolarHBondContact O-N 2.93Å; Y712-L728 VanDerWaalsContact O-N 3.08Å
713L92.7Very high89.9Confident9 Ų935.6 Ų35.65%0.04719%0.191CC..EExtended strand (participates in β ladder)trans-106136.6174.6-60.8175.3000110.1F705 N706 Q711 W726 D727 F749 V770F705-L713 WeakPolarHBondContact CA-O 3.24Å; F705-L713 WeakPolarHBondContact CD1-O 3.18Å; N706-L713 HydrophobicContact CB-CB 4.27Å; N706-L713 PolarHBondContact N-O 2.08Å; N706-L713 PolarHBondContact OD1-N 2.8Å; N706-L713 PolarHBondContact OD1-O 3.15Å; Q711-L713 HydrophobicContact CG-CD1 4.48Å; Q711-L713 HydrophobicContact CG-CG 4.11Å; L713-W726 VanDerWaalsContact CA-O 3.28Å; L713-W726 WeakPolarHBondContact CA-O 3.42Å; L713-D727 HydrophobicContact CD2-CB 4.08Å; L713-F749 HydrophobicContact CB-CZ 4.13Å; L713-V770 HydrophobicContact CD1-CG1 3.79Å
714L94.3Very high89.9Confident0 Ų036.4 Ų36.40%020%0.195CC..EExtended strand (participates in β ladder)trans-120.9128.5176.2-179.971.2000108.8A671 V679 I681 C703 F705 T716 L725 W726A671-L714 HydrophobicContact CB-CD1 3.84Å; A671-L714 HydrophobicContact CB-CD2 4.03Å; V679-L714 HydrophobicContact CG1-CD2 3.81Å; I681-L714 HydrophobicContact CD1-CD2 3.7Å; C703-L714 HydrophobicContact CB-CD1 4.18Å; F705-L714 HydrophobicContact CD1-CB 4.05Å; F705-L714 HydrophobicContact CD1-CD1 3.86Å; F705-L714 HydrophobicContact CD2-CD1 4.17Å; F705-L714 HydrophobicContact CE1-CB 3.88Å; F705-L714 HydrophobicContact CE1-CD1 3.81Å; F705-L714 HydrophobicContact CE1-CG 4.3Å; F705-L714 HydrophobicContact CE2-CD1 4.22Å; F705-L714 HydrophobicContact CG-CD1 4.04Å; F705-L714 HydrophobicContact CZ-CD1 4.04Å; L714-T716 HydrophobicContact CD2-CG2 4.14Å; L714-T716 HydrophobicContact CG-CG2 4.15Å; L714-L725 CarbonylContact O-C 3.56Å; L714-L725 WeakPolarHBondContact O-CA 3.39Å; L714-W726 HydrophobicContact CB-CB 4.17Å; L714-W726 PolarHBondContact N-O 2.88Å; L714-W726 VanDerWaalsContact O-CD1 3.31Å; L714-W726 PolarHBondContact O-N 3.4Å
715A95.1Very high89.9Confident0 Ų034.9 Ų34.90%019%0.187CC..EExtended strand (participates in β ladder)trans-99.6133.2169.500000108.9C703 Q704 K724 L725 F749 V756C703-A715 WeakPolarHBondContact CA-O 3.35Å; Q704-A715 PolarHBondContact N-O 3.02Å; Q704-A715 PolarHBondContact O-N 2.93Å; A715-K724 WeakPolarHBondContact CA-O 3.38Å; A715-L725 HydrophobicContact CB-CD2 3.85Å; A715-F749 HydrophobicContact CB-CD2 4.25Å; A715-F749 HydrophobicContact CB-CE2 3.55Å; A715-F749 HydrophobicContact CB-CZ 3.94Å; A715-V756 HydrophobicContact CB-CG1 4.46Å; A715-V756 HydrophobicContact CB-CG2 4.5Å
716T95.9Very high89.8Confident0 Ų034.9 Ų34.90%019%0.187CC..EExtended strand (participates in β ladder)trans-128.2145.617459.30000110.3V679 H696 V700 C702 C703 L714 I723 K724 W726V679-T716 HydrophobicContact CG1-CG2 4.12Å; V679-T716 HydrophobicContact CG2-CG2 3.81Å; H696-T716 PolarHBondContact NE2-OG1 3.19Å; V700-T716 HydrophobicContact CG1-CG2 4.35Å; C702-T716 WeakPolarHBondContact O-CA 3.47Å; C703-T716 HydrophobicContact CB-CG2 3.96Å; L714-T716 HydrophobicContact CD2-CG2 4.14Å; L714-T716 HydrophobicContact CG-CG2 4.15Å; T716-I723 CarbonylContact O-C 3.57Å; T716-I723 VanDerWaalsContact O-CA 3.3Å; T716-I723 WeakPolarHBondContact O-CA 3.17Å; T716-I723 WeakPolarHBondContact O-CG2 3.45Å; T716-K724 PolarHBondContact N-O 2.67Å; T716-K724 PolarHBondContact O-N 2.79Å; T716-K724 PolarHBondContact OG1-O 3.29Å; T716-W726 PolarHBondContact OG1-NE1 3Å
717C94.3Very high89.7Confident0 Ų035.3 Ų35.30%019%0.19CC..EExtended strand (participates in β ladder)trans-132.9149.2175.464.60000111.4V700 N701 C702 I723 V744 C747V700-C717 CarbonylContact C-O 3.54Å; V700-C717 WeakPolarHBondContact CA-O 3.38Å; V700-C717 WeakPolarHBondContact CG1-O 3.35Å; N701-C717 PolarHBondContact N-O 3.34Å; C702-C717 VanDerWaalsContact CB-SG 3.59Å; C702-C717 PolarHBondContact O-N 3.38Å; C702-C717 VanDerWaalsContact O-N 3.11Å; C717-I723 HydrophobicContact CB-CG1 4.24Å; C717-V744 HydrophobicContact CB-CB 3.84Å; C717-V744 HydrophobicContact CB-CG1 3.52Å; C717-C747 HydrophobicContact CB-CB 4.24Å; C717-C747 VanDerWaalsContact SG-SG 3.67Å
718S94.7Very high89.7Confident0 Ų033 Ų330%018%0.177CC..EExtended strand (participates in β ladder)trans-141.5165.6-167.8171.60000112.1H696 E698 Q699 D720 T721 F722 V744H696-S718 WeakPolarHBondContact ND1-CB 3.32Å; E698-S718 PolarHBondContact O-OG 3.47Å; Q699-S718 VanDerWaalsContact O-CA 3.28Å; Q699-S718 WeakPolarHBondContact O-CA 3.5Å; Q699-S718 VanDerWaalsContact O-CB 3.24Å; Q699-S718 WeakPolarHBondContact O-CB 3.37Å; Q699-S718 PolarHBondContact O-OG 2.95Å; S718-D720 VanDerWaalsContact CB-OD1 3.28Å; S718-D720 WeakPolarHBondContact CB-OD1 3.23Å; S718-D720 PolarHBondContact O-N 2.91Å; S718-D720 PolarHBondContact OG-N 3.26Å; S718-D720 VanDerWaalsContact OG-N 3.16Å; S718-D720 PolarHBondContact OG-OD1 3.3Å; S718-T721 PolarHBondContact O-N 3.48Å; S718-F722 PolarHBondContact N-O 2.69Å; S718-V744 PolarHBondContact O-N 2.93Å; S718-V744 VanDerWaalsContact O-N 3.14Å
719N92.3Very high89.8Confident50 Ų5030.5 Ų30.527%0.26718%0.177SC..THydrogen-bonded Turntrans-64.2-12.6167.2-73.42.8000113.2E698 Q699 N701 T721 S743E698-N719 HydrophobicContact CB-CB 3.82Å; E698-N719 HydrophobicContact CG-CB 4.49Å; Q699-N719 HydrophobicContact CG-CB 4.16Å; Q699-N719 VanDerWaalsContact CG-ND2 3.26Å; Q699-N719 WeakPolarHBondContact CG-ND2 3.46Å; Q699-N719 PolarHBondContact NE2-ND2 3.48Å; Q699-N719 VanDerWaalsContact NE2-ND2 3.11Å; Q699-N719 PolarHBondContact O-N 2.94Å; Q699-N719 VanDerWaalsContact O-N 3.14Å; N701-N719 PolarHBondContact ND2-OD1 3.4Å; N701-N719 PolarHBondContact OD1-OD1 2.87Å; N719-T721 PolarHBondContact O-N 3.38Å; N719-T721 VanDerWaalsContact O-N 3.1Å; N719-S743 WeakPolarHBondContact CA-OG 3.3Å; N719-S743 WeakPolarHBondContact OD1-CB 3.49Å; N719-S743 PolarHBondContact OD1-OG 2.94Å
720D91Very high90.3Very high13 Ų1331.4 Ų31.47%0.0717%0.167CC..THydrogen-bonded Turntrans-73.99.8175.170.310.2000114.4H696 S697 E698 S718 F722H696-D720 WeakPolarHBondContact CA-OD2 3.32Å; H696-D720 IonicContact CE1-OD2 3.55Å; H696-D720 IonicContact CG-OD2 2.74Å; H696-D720 IonicContact ND1-OD1 3.49Å; H696-D720 PolarHBondContact ND1-OD1 3.47Å; H696-D720 IonicContact ND1-OD2 3.56Å; H696-D720 PolarHBondContact ND1-OD2 3.21Å; S697-D720 PolarHBondContact N-OD2 3.37Å; S697-D720 WeakPolarHBondContact OG-CB 3.48Å; E698-D720 HydrophobicContact CB-CB 4.16Å; E698-D720 HydrophobicContact CG-CB 4.31Å; S718-D720 VanDerWaalsContact CB-OD1 3.28Å; S718-D720 WeakPolarHBondContact CB-OD1 3.23Å; S718-D720 PolarHBondContact O-N 2.91Å; S718-D720 PolarHBondContact OG-N 3.26Å; S718-D720 VanDerWaalsContact OG-N 3.16Å; S718-D720 PolarHBondContact OG-OD1 3.3Å; D720-F722 HydrophobicContact CB-CD2 4.18Å; D720-F722 VanDerWaalsContact O-CD2 3.28Å; D720-F722 WeakPolarHBondContact O-CD2 3.46Å; D720-F722 WeakPolarHBondContact O-CE2 3.2Å; D720-F722 PolarHBondContact O-N 3.24Å; D720-F722 WeakPolarHBondContact OD1-CB 3.31Å; D720-F722 PolarHBondContact OD1-N 3.17Å
721T92.3Very high90.7Very high36 Ų3636.8 Ų36.822%0.22117%0.171CC..SBendtrans70.6-4.8-176.975.90000115.3S718 N719S718-T721 PolarHBondContact O-N 3.48Å; N719-T721 PolarHBondContact O-N 3.38Å; N719-T721 VanDerWaalsContact O-N 3.1Å
722F92.8Very high90.7Very high61 Ų6139.1 Ų39.127%0.26818%0.177SC..  trans-98.5152.9-174.8-55.5-53.4000113.1S718 D720 T736 F738S718-F722 PolarHBondContact N-O 2.69Å; D720-F722 HydrophobicContact CB-CD2 4.18Å; D720-F722 VanDerWaalsContact O-CD2 3.28Å; D720-F722 WeakPolarHBondContact O-CD2 3.46Å; D720-F722 WeakPolarHBondContact O-CE2 3.2Å; D720-F722 PolarHBondContact O-N 3.24Å; D720-F722 WeakPolarHBondContact OD1-CB 3.31Å; D720-F722 PolarHBondContact OD1-N 3.17Å; F722-T736 HydrophobicContact CB-CG2 4.19Å; F722-T736 HydrophobicContact CD1-CG2 4.42Å; F722-T736 HydrophobicContact CG-CG2 4.26Å; F722-F738 AromaticContact CD1-CD1 3.93Å; F722-F738 HydrophobicContact CD1-CD1 3.93Å; F722-F738 HydrophobicContact CD1-CE1 4.12Å; F722-F738 AromaticContact CE1-CD1 3.5Å; F722-F738 HydrophobicContact CE1-CD1 3.5Å; F722-F738 AromaticContact CE1-CE1 3.63Å; F722-F738 HydrophobicContact CE1-CE1 3.63Å; F722-F738 HydrophobicContact CZ-CD1 4.44Å; F722-F738 HydrophobicContact CZ-CE1 4.2Å
723I94.6Very high90.8Very high1 Ų137.6 Ų37.61%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-115.9127.8166.4-51151000107.2T716 C717 M737 V744 S758 W768T716-I723 CarbonylContact O-C 3.57Å; T716-I723 VanDerWaalsContact O-CA 3.3Å; T716-I723 WeakPolarHBondContact O-CA 3.17Å; T716-I723 WeakPolarHBondContact O-CG2 3.45Å; C717-I723 HydrophobicContact CB-CG1 4.24Å; I723-M737 HydrophobicContact CB-CB 4.33Å; I723-M737 HydrophobicContact CB-CE 3.61Å; I723-M737 HydrophobicContact CD1-CE 4.49Å; I723-M737 HydrophobicContact CG2-CE 3.21Å; I723-M737 PolarHBondContact O-N 3.35Å; I723-V744 HydrophobicContact CG1-CG1 4.14Å; I723-V744 HydrophobicContact CG1-CG2 4.35Å; I723-S758 VanDerWaalsContact CD1-OG 3.31Å; I723-S758 WeakPolarHBondContact CD1-OG 3.37Å; I723-W768 HydrophobicContact CD1-CZ2 4Å
724K94.7Very high90.7Very high18 Ų1840.7 Ų40.78%0.07819%0.185CC..EExtended strand (participates in β ladder)trans-114.1136.7-179.4-73.5-177.6179-86.70110.4E695 A715 T716 W726 N735 T736E695-K724 HydrophobicContact CB-CD 4.36Å; E695-K724 IonicContact OE2-NZ 4Å; E695-K724 PolarHBondContact OE2-NZ 3.37Å; A715-K724 WeakPolarHBondContact CA-O 3.38Å; T716-K724 PolarHBondContact N-O 2.67Å; T716-K724 PolarHBondContact O-N 2.79Å; T716-K724 PolarHBondContact OG1-O 3.29Å; K724-W726 HydrophobicContact CB-CZ2 3.87Å; K724-W726 HydrophobicContact CD-CH2 4.03Å; K724-W726 HydrophobicContact CD-CZ2 3.58Å; K724-W726 HydrophobicContact CG-CZ2 4.37Å; K724-N735 WeakPolarHBondContact CA-O 3.43Å; K724-T736 HydrophobicContact CG-CG2 4.25Å; K724-T736 PolarHBondContact NZ-OG1 2.92Å
725L94.3Very high90.6Very high3 Ų342.8 Ų42.82%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-107125.1172.2-79.8168.7000109.3L714 A715 C733 R734 N735 M737 F749 V756L714-L725 CarbonylContact O-C 3.56Å; L714-L725 WeakPolarHBondContact O-CA 3.39Å; A715-L725 HydrophobicContact CB-CD2 3.85Å; L725-C733 PolarHBondContact O-SG 3.09Å; L725-R734 WeakPolarHBondContact O-CA 3.35Å; L725-R734 VanDerWaalsContact O-CB 3.26Å; L725-R734 WeakPolarHBondContact O-CB 3.37Å; L725-R734 PolarHBondContact O-N 2.88Å; L725-N735 HydrophobicContact CB-CB 4.25Å; L725-N735 PolarHBondContact N-O 2.87Å; L725-N735 PolarHBondContact O-N 2.66Å; L725-M737 HydrophobicContact CD1-CE 4.03Å; L725-M737 HydrophobicContact CD1-SD 3.95Å; L725-M737 HydrophobicContact CG-CE 4.02Å; L725-F749 HydrophobicContact CD2-CE1 4.16Å; L725-F749 HydrophobicContact CD2-CE2 4.49Å; L725-F749 HydrophobicContact CD2-CZ 3.57Å; L725-V756 HydrophobicContact CD2-CG2 4.42Å
726W92.6Very high90.4Very high1 Ų145 Ų450%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-110.7141-179-46.685.5000109.8Y693 E695 L713 L714 T716 K724 C733Y693-W726 AromaticContact CD1-CE3 3.59Å; Y693-W726 HydrophobicContact CD1-CE3 3.59Å; Y693-W726 AromaticContact CD1-CZ3 3.6Å; Y693-W726 HydrophobicContact CD1-CZ3 3.6Å; Y693-W726 HydrophobicContact CD2-CD2 4.18Å; Y693-W726 HydrophobicContact CD2-CE3 4.01Å; Y693-W726 HydrophobicContact CD2-CZ3 4.47Å; Y693-W726 AromaticContact CE1-CE3 3.96Å; Y693-W726 HydrophobicContact CE1-CE3 3.96Å; Y693-W726 HydrophobicContact CE1-CZ3 4.36Å; Y693-W726 HydrophobicContact CE2-CB 4.42Å; Y693-W726 HydrophobicContact CE2-CE3 4.35Å; Y693-W726 HydrophobicContact CG-CD2 4.18Å; Y693-W726 AromaticContact CG-CE3 3.62Å; Y693-W726 HydrophobicContact CG-CE3 3.62Å; Y693-W726 HydrophobicContact CG-CH2 4.25Å; Y693-W726 AromaticContact CG-CZ3 3.67Å; Y693-W726 HydrophobicContact CG-CZ3 3.67Å; E695-W726 HydrophobicContact CB-CH2 3.87Å; E695-W726 HydrophobicContact CG-CH2 3.82Å; E695-W726 HydrophobicContact CG-CZ3 4.22Å; L713-W726 VanDerWaalsContact CA-O 3.28Å; L713-W726 WeakPolarHBondContact CA-O 3.42Å; L714-W726 HydrophobicContact CB-CB 4.17Å; L714-W726 PolarHBondContact N-O 2.88Å; L714-W726 VanDerWaalsContact O-CD1 3.31Å; L714-W726 PolarHBondContact O-N 3.4Å; T716-W726 PolarHBondContact OG1-NE1 3Å; K724-W726 HydrophobicContact CB-CZ2 3.87Å; K724-W726 HydrophobicContact CD-CH2 4.03Å; K724-W726 HydrophobicContact CD-CZ2 3.58Å; K724-W726 HydrophobicContact CG-CZ2 4.37Å; W726-C733 HydrophobicContact CD2-CB 4.44Å; W726-C733 HydrophobicContact CE3-CB 3.82Å; W726-C733 HydrophobicContact CH2-CB 3.95Å; W726-C733 HydrophobicContact CZ3-CB 3.54Å
727D90.9Very high90.2Very high14 Ų1445.1 Ų45.18%0.07521%0.21CC..EExtended strand (participates in β ladder)trans-109.2116.7168.9177.8-1.4000106.9L713 N729 R730 R734L713-D727 HydrophobicContact CD2-CB 4.08Å; D727-N729 PolarHBondContact O-N 2.98Å; D727-N729 VanDerWaalsContact O-N 3.11Å; D727-N729 WeakPolarHBondContact OD1-CB 3.5Å; D727-N729 PolarHBondContact OD1-N 2.83Å; D727-N729 VanDerWaalsContact OD1-N 3.1Å; D727-N729 PolarHBondContact OD1-ND2 2.82Å; D727-R730 HydrophobicContact CB-CB 4.43Å; D727-R730 HydrophobicContact CB-CG 4.21Å; D727-R730 PolarHBondContact O-N 3.32Å; D727-R730 VanDerWaalsContact O-O 3.07Å; D727-R730 IonicContact OD2-NE 3.27Å; D727-R730 PolarHBondContact OD2-NE 2.71Å; D727-R734 HydrophobicContact CB-CB 4.31Å
728L86.6Confident90Very high15 Ų1551.9 Ų51.98%0.07924%0.24CC..THydrogen-bonded Turntrans-61.8-19.3-177.3-85.8161.3000113.5I681 F705 Y712 R730I681-L728 HydrophobicContact CB-CD2 4.22Å; I681-L728 HydrophobicContact CD1-CD2 4.31Å; I681-L728 HydrophobicContact CG1-CD2 3.82Å; I681-L728 HydrophobicContact CG2-CD2 3.8Å; F705-L728 HydrophobicContact CD1-CD1 4.39Å; F705-L728 HydrophobicContact CE1-CD1 3.41Å; F705-L728 VanDerWaalsContact CE1-CD1 3.41Å; F705-L728 HydrophobicContact CE1-CG 4.45Å; F705-L728 HydrophobicContact CZ-CD1 3.96Å; Y712-L728 HydrophobicContact CD1-CD1 4.5Å; Y712-L728 HydrophobicContact CG-CD1 4.12Å; Y712-L728 PolarHBondContact O-N 2.93Å; Y712-L728 VanDerWaalsContact O-N 3.08Å; L728-R730 PolarHBondContact O-N 2.85Å
729N85Confident89.4Confident125 Ų12553.6 Ų53.667%0.66826%0.257SS*.THydrogen-bonded Turntrans-74.4-12.9173.6-58.3-60.6000112.7D727D727-N729 PolarHBondContact O-N 2.98Å; D727-N729 VanDerWaalsContact O-N 3.11Å; D727-N729 WeakPolarHBondContact OD1-CB 3.5Å; D727-N729 PolarHBondContact OD1-N 2.83Å; D727-N729 VanDerWaalsContact OD1-N 3.1Å; D727-N729 PolarHBondContact OD1-ND2 2.82Å
730R83.1Confident89.4Confident109 Ų10951.8 Ų51.841%0.41125%0.247SC..SBendtrans-114.2153.1-177.9-57.7-175.3-173.7-152.6-1.5110Y693 D727 L728 Y732Y693-R730 PolarHBondContact OH-O 2.93Å; D727-R730 HydrophobicContact CB-CB 4.43Å; D727-R730 HydrophobicContact CB-CG 4.21Å; D727-R730 PolarHBondContact O-N 3.32Å; D727-R730 VanDerWaalsContact O-O 3.07Å; D727-R730 IonicContact OD2-NE 3.27Å; D727-R730 PolarHBondContact OD2-NE 2.71Å; L728-R730 PolarHBondContact O-N 2.85Å; R730-Y732 PolarHBondContact NH1-OH 2.63Å
731K79.4Confident89.3Confident180 Ų18057.2 Ų57.278%0.78328%0.281SS*.SBendtrans-87-13.2176.3-70.8-171.4175.7-174.40114
732Y81.8Confident89.2Confident138 Ų13859.1 Ų59.154%0.54129%0.29SS..SBendtrans-118.4157-175.454-93.5000110.8R730 R734R730-Y732 PolarHBondContact NH1-OH 2.63Å; Y732-R734 PolarHBondContact O-N 3.47Å
733C88.6Confident89.1Confident17 Ų1757.3 Ų57.312%0.11528%0.284CS..EExtended strand (participates in β ladder)trans-56.3132.3176-175.10000111.2E695 L725 W726 N735E695-C733 WeakPolarHBondContact OE1-CB 3.43Å; E695-C733 PolarHBondContact OE1-N 3.34Å; E695-C733 WeakPolarHBondContact OE2-CB 3.39Å; L725-C733 PolarHBondContact O-SG 3.09Å; W726-C733 HydrophobicContact CD2-CB 4.44Å; W726-C733 HydrophobicContact CE3-CB 3.82Å; W726-C733 HydrophobicContact CH2-CB 3.95Å; W726-C733 HydrophobicContact CZ3-CB 3.54Å; C733-N735 PolarHBondContact SG-O 3.06Å
734R90.4Very high89Confident73 Ų7357.2 Ų57.228%0.27528%0.284SS..EExtended strand (participates in β ladder)trans-75.5-47.5-179.1-172.1-161.5155.6162.2-5.1110.8L725 D727 Y732L725-R734 WeakPolarHBondContact O-CA 3.35Å; L725-R734 VanDerWaalsContact O-CB 3.26Å; L725-R734 WeakPolarHBondContact O-CB 3.37Å; L725-R734 PolarHBondContact O-N 2.88Å; D727-R734 HydrophobicContact CB-CB 4.31Å; Y732-R734 PolarHBondContact O-N 3.47Å
735N91.7Very high88.8Confident45 Ų4558.5 Ų58.524%0.24129%0.292CS..EExtended strand (participates in β ladder)trans-145.6140.5-178.9-67.284.3000110.5K724 L725 C733 A773K724-N735 WeakPolarHBondContact CA-O 3.43Å; L725-N735 HydrophobicContact CB-CB 4.25Å; L725-N735 PolarHBondContact N-O 2.87Å; L725-N735 PolarHBondContact O-N 2.66Å; C733-N735 PolarHBondContact SG-O 3.06Å; N735-A773 HydrophobicContact CB-CB 3.61Å; N735-A773 WeakPolarHBondContact ND2-CB 3.4Å
736T92.5Very high88.8Confident45 Ų4558.8 Ų58.828%0.27629%0.293SS..EExtended strand (participates in β ladder)trans-113122.9167.6-59.90000107.9F722 K724 F738F722-T736 HydrophobicContact CB-CG2 4.19Å; F722-T736 HydrophobicContact CD1-CG2 4.42Å; F722-T736 HydrophobicContact CG-CG2 4.26Å; K724-T736 HydrophobicContact CG-CG2 4.25Å; K724-T736 PolarHBondContact NZ-OG1 2.92Å; T736-F738 HydrophobicContact CG2-CE1 4.43Å; T736-F738 HydrophobicContact CG2-CE2 4.24Å; T736-F738 HydrophobicContact CG2-CZ 4.02Å; T736-F738 WeakPolarHBondContact O-CE2 3.32Å
737M91.1Very high88.9Confident3 Ų358.7 Ų58.72%0.01529%0.292CS..EExtended strand (participates in β ladder)trans-99125.9-176.1-63179.3-62.600109.5I723 L725 W768 A773I723-M737 HydrophobicContact CB-CB 4.33Å; I723-M737 HydrophobicContact CB-CE 3.61Å; I723-M737 HydrophobicContact CD1-CE 4.49Å; I723-M737 HydrophobicContact CG2-CE 3.21Å; I723-M737 PolarHBondContact O-N 3.35Å; L725-M737 HydrophobicContact CD1-CE 4.03Å; L725-M737 HydrophobicContact CD1-SD 3.95Å; L725-M737 HydrophobicContact CG-CE 4.02Å; M737-W768 HydrophobicContact CB-CD2 4.17Å; M737-W768 HydrophobicContact CB-CE3 3.81Å; M737-W768 HydrophobicContact CB-CH2 4.32Å; M737-W768 HydrophobicContact CB-CZ3 3.9Å; M737-W768 HydrophobicContact CE-CB 4.44Å; M737-W768 HydrophobicContact CE-CG 4.27Å; M737-W768 HydrophobicContact CG-CD2 4.47Å; M737-W768 HydrophobicContact CG-CE3 4.11Å; M737-W768 HydrophobicContact SD-CB 3.61Å; M737-W768 HydrophobicContact SD-CD2 3.9Å; M737-W768 HydrophobicContact SD-CE3 3.99Å; M737-W768 HydrophobicContact SD-CG 3.74Å; M737-A773 HydrophobicContact CG-CB 4.07Å; M737-A773 HydrophobicContact SD-CB 4.37Å
738F89.1Confident89Confident142 Ų14259.8 Ų59.862%0.62330%0.296SS*.  trans-106.7133.5-176.5-61.6-89.5000110.1F722 T736 W768F722-F738 AromaticContact CD1-CD1 3.93Å; F722-F738 HydrophobicContact CD1-CD1 3.93Å; F722-F738 HydrophobicContact CD1-CE1 4.12Å; F722-F738 AromaticContact CE1-CD1 3.5Å; F722-F738 HydrophobicContact CE1-CD1 3.5Å; F722-F738 AromaticContact CE1-CE1 3.63Å; F722-F738 HydrophobicContact CE1-CE1 3.63Å; F722-F738 HydrophobicContact CZ-CD1 4.44Å; F722-F738 HydrophobicContact CZ-CE1 4.2Å; T736-F738 HydrophobicContact CG2-CE1 4.43Å; T736-F738 HydrophobicContact CG2-CE2 4.24Å; T736-F738 HydrophobicContact CG2-CZ 4.02Å; T736-F738 WeakPolarHBondContact O-CE2 3.32Å; F738-W768 VanDerWaalsContact O-CH2 3.23Å; F738-W768 WeakPolarHBondContact O-CH2 2.96Å
739G83.7Confident89.3Confident36 Ų3659.3 Ų59.337%0.37129%0.294SS..  trans162.9-20.5169.300000116.7K766G739-K766 VanDerWaalsContact O-CE 3.27Å; G739-K766 WeakPolarHBondContact O-CE 3.42Å
740H91.1Very high89.7Confident12 Ų1253.3 Ų53.36%0.05626%0.262CS..  trans-77.5146.1173.3-76.9-65.5000111.4V744 S758 S760 D762 T764H740-V744 HydrophobicContact CB-CG2 3.73Å; H740-V744 VanDerWaalsContact CD2-CG2 3.49Å; H740-V744 WeakPolarHBondContact CD2-CG2 3.39Å; H740-S758 PolarHBondContact NE2-OG 3.27Å; H740-S760 VanDerWaalsContact CE1-CB 3.49Å; H740-S760 WeakPolarHBondContact CE1-CB 3.34Å; H740-S760 WeakPolarHBondContact ND1-CB 3.47Å; H740-D762 IonicContact CG-OD2 3.76Å; H740-D762 IonicContact ND1-OD1 2.64Å; H740-D762 IonicContact ND1-OD2 2.71Å; H740-D762 PolarHBondContact ND1-OD2 2.94Å; H740-T764 PolarHBondContact CE1-OG1 3.06Å; H740-T764 VanDerWaalsContact CE1-OG1 3.32Å; H740-T764 PolarHBondContact ND1-OG1 3.32Å
741V88.9Confident89.8Confident128 Ų12850.8 Ų50.878%0.77626%0.259SS*.SBendtrans-94.2-25.7-178.2-179.80000111.4D762V741-D762 HydrophobicContact CB-CB 4.29Å; V741-D762 PolarHBondContact N-OD2 2.94Å; V741-D762 VanDerWaalsContact N-OD2 3.12Å
742N89.6Confident90.2Very high76 Ų7645.1 Ų45.141%0.40624%0.238SC..SBendtrans-132.4-179.3-176.7-154.5-12.2000110.3V744 S760 T761 D762N742-V744 PolarHBondContact O-N 3.31Å; N742-S760 PolarHBondContact O-OG 2.76Å; N742-T761 VanDerWaalsContact CB-OG1 3.27Å; N742-T761 WeakPolarHBondContact CB-OG1 3.49Å; N742-T761 PolarHBondContact ND2-OG1 3.35Å; N742-T761 PolarHBondContact OD1-OG1 3.26Å; N742-D762 HydrophobicContact CB-CB 3.92Å
743S90.4Very high90.6Very high22 Ų2239.7 Ų39.715%0.15422%0.218CC..  trans-52.6131.2-178-61.60000112.7N719 S760 T761N719-S743 WeakPolarHBondContact CA-OG 3.3Å; N719-S743 WeakPolarHBondContact OD1-CB 3.49Å; N719-S743 PolarHBondContact OD1-OG 2.94Å; S743-S760 PolarHBondContact O-OG 3.42Å; S743-S760 VanDerWaalsContact O-OG 3.13Å; S743-T761 PolarHBondContact N-OG1 3.28Å; S743-T761 PolarHBondContact O-N 3.36Å; S743-T761 PolarHBondContact O-OG1 2.85Å
744V93.6Very high90.6Very high0 Ų043 Ų430%023%0.232CC..EExtended strand (participates in β ladder)trans-92.9117.4177-172.60000108.7N701 C717 S718 I723 H740 N742 C759N701-V744 PolarHBondContact ND2-O 2.83Å; C717-V744 HydrophobicContact CB-CB 3.84Å; C717-V744 HydrophobicContact CB-CG1 3.52Å; S718-V744 PolarHBondContact O-N 2.93Å; S718-V744 VanDerWaalsContact O-N 3.14Å; I723-V744 HydrophobicContact CG1-CG1 4.14Å; I723-V744 HydrophobicContact CG1-CG2 4.35Å; H740-V744 HydrophobicContact CB-CG2 3.73Å; H740-V744 VanDerWaalsContact CD2-CG2 3.49Å; H740-V744 WeakPolarHBondContact CD2-CG2 3.39Å; N742-V744 PolarHBondContact O-N 3.31Å; V744-C759 WeakPolarHBondContact CG1-O 3.44Å
745N91.1Very high90.7Very high45 Ų4542.5 Ų42.524%0.24123%0.23CC..EExtended strand (participates in β ladder)trans-86-38.1-171.8-66.9-31000112.5C759 T761 V799N745-C759 PolarHBondContact N-O 2.79Å; N745-T761 WeakPolarHBondContact ND2-CG2 3.49Å; N745-V799 PolarHBondContact ND2-O 3.08Å
746H93.4Very high90.8Very high8 Ų840.3 Ų40.34%0.03722%0.219CC..EExtended strand (participates in β ladder)trans-147.5145.6-171-166.1-99.4000111.6S758 C759 K800 C802 Y843H746-S758 WeakPolarHBondContact O-CA 3.23Å; H746-C759 HydrophobicContact CB-CB 4.3Å; H746-C759 PolarHBondContact N-O 2.84Å; H746-C759 PolarHBondContact O-N 3.24Å; H746-K800 WeakPolarHBondContact CB-O 3.48Å; H746-C802 PolarHBondContact CE1-O 3.41Å; H746-C802 PolarHBondContact ND1-O 3.38Å; H746-Y843 AromaticContact CD2-CE2 3.78Å; H746-Y843 AromaticContact NE2-CE2 3.62Å; H746-Y843 AromaticContact NE2-CZ 3.65Å; H746-Y843 PolarHBondContact NE2-OH 2.89Å
747C94.4Very high90.8Very high0 Ų038.2 Ų38.20%021%0.206CC..EExtended strand (participates in β ladder)trans-142.2139.1172.463.60000111C717 V756 A757C717-C747 HydrophobicContact CB-CB 4.24Å; C717-C747 VanDerWaalsContact SG-SG 3.67Å; C747-V756 HydrophobicContact CB-CG1 4.4Å; C747-A757 CarbonylContact C-O 3.49Å; C747-A757 WeakPolarHBondContact CA-O 3.17Å
748K93.8Very high91Very high36 Ų3638 Ų3816%0.15721%0.205CC..EExtended strand (participates in β ladder)trans-141.7131.8-179.8-159.5168.1-174.8172.90111.4Q704 A757 S803 W804 D845Q704-K748 HydrophobicContact CG-CG 4.39Å; K748-A757 PolarHBondContact N-O 3.09Å; K748-A757 PolarHBondContact O-N 3.02Å; K748-S803 PolarHBondContact NZ-OG 3.17Å; K748-W804 PolarHBondContact O-NE1 3.12Å; K748-D845 IonicContact NZ-OD1 3.35Å; K748-D845 PolarHBondContact NZ-OD1 3.16Å
749F93.5Very high91.1Very high5 Ų531.3 Ų31.32%0.02218%0.175CC..EExtended strand (participates in β ladder)trans-64.1143.9170.4-81.9-80.8000110.5Q704 F705 N706 L713 A715 L725 V756 V770Q704-F749 HydrophobicContact CG-CD2 4.27Å; Q704-F749 VanDerWaalsContact O-CE2 3.29Å; Q704-F749 WeakPolarHBondContact O-CE2 3.21Å; F705-F749 WeakPolarHBondContact O-CD2 3.28Å; N706-F749 HydrophobicContact CB-CD1 4.44Å; N706-F749 HydrophobicContact CB-CD2 4.39Å; N706-F749 HydrophobicContact CB-CE1 4.41Å; N706-F749 HydrophobicContact CB-CE2 4.34Å; N706-F749 HydrophobicContact CB-CG 4.43Å; N706-F749 HydrophobicContact CB-CZ 4.36Å; L713-F749 HydrophobicContact CB-CZ 4.13Å; A715-F749 HydrophobicContact CB-CD2 4.25Å; A715-F749 HydrophobicContact CB-CE2 3.55Å; A715-F749 HydrophobicContact CB-CZ 3.94Å; L725-F749 HydrophobicContact CD2-CE1 4.16Å; L725-F749 HydrophobicContact CD2-CE2 4.49Å; L725-F749 HydrophobicContact CD2-CZ 3.57Å; F749-V756 HydrophobicContact CD1-CG2 3.45Å; F749-V756 VanDerWaalsContact CD1-CG2 3.45Å; F749-V756 HydrophobicContact CE1-CG2 3.38Å; F749-V756 HydrophobicContact CE2-CG2 4.48Å; F749-V756 HydrophobicContact CG-CG2 4.06Å; F749-V756 HydrophobicContact CZ-CG2 3.94Å; F749-V770 HydrophobicContact CD1-CG2 4.03Å; F749-V770 HydrophobicContact CE1-CG1 4.2Å; F749-V770 HydrophobicContact CE1-CG2 3.68Å
750S91.6Very high91.6Very high0 Ų029.6 Ų29.60%016%0.158CC..  trans-66.5151.4167.760.30000110.2N707 N752 D753 E754 Y755N707-S750 PolarHBondContact ND2-O 3.15Å; N707-S750 VanDerWaalsContact ND2-O 3.16Å; S750-N752 VanDerWaalsContact CB-OD1 3.25Å; S750-N752 WeakPolarHBondContact CB-OD1 3.33Å; S750-N752 PolarHBondContact O-N 2.77Å; S750-N752 PolarHBondContact OG-OD1 2.92Å; S750-D753 PolarHBondContact O-N 3.2Å; S750-E754 PolarHBondContact OG-N 3.46Å; S750-Y755 PolarHBondContact N-O 3.35Å; S750-Y755 PolarHBondContact OG-N 3.49Å; S750-Y755 PolarHBondContact OG-O 2.85Å; S750-Y755 VanDerWaalsContact OG-O 3.1Å
751P87.1Confident91.4Very high55 Ų5530.3 Ų30.336%0.35716%0.163SC..THydrogen-bonded Turntrans-56.8-23179.6-28.134.4000114.9W804P751-W804 HydrophobicContact CG-CB 4.13Å
752N86.6Confident91.3Very high61 Ų6125.1 Ų25.133%0.32613%0.131SC..THydrogen-bonded Turntrans-92.50.8176.368-14.2000114.1S750 E754S750-N752 VanDerWaalsContact CB-OD1 3.25Å; S750-N752 WeakPolarHBondContact CB-OD1 3.33Å; S750-N752 PolarHBondContact O-N 2.77Å; S750-N752 PolarHBondContact OG-OD1 2.92Å; N752-E754 PolarHBondContact ND2-OE2 2.83Å; N752-E754 PolarHBondContact O-N 3.49Å; N752-E754 VanDerWaalsContact O-N 3.11Å; N752-E754 PolarHBondContact OD1-N 2.77Å
753D89.8Confident91.2Very high25 Ų2521.5 Ų21.513%0.13411%0.112CC..SBendtrans58.512.3-177-61.7-19.3000115.9N706 N707 R708 S750 V770N706-D753 PolarHBondContact ND2-OD2 2.82Å; N707-D753 WeakPolarHBondContact CB-OD1 3.29Å; N707-D753 VanDerWaalsContact N-CG 3.35Å; N707-D753 PolarHBondContact N-OD1 2.91Å; N707-D753 PolarHBondContact N-OD2 3.25Å; N707-D753 VanDerWaalsContact N-OD2 3.12Å; N707-D753 PolarHBondContact ND2-OD1 2.94Å; R708-D753 WeakPolarHBondContact CB-OD2 3.35Å; R708-D753 PolarHBondContact N-OD2 2.63Å; S750-D753 PolarHBondContact O-N 3.2Å; D753-V770 WeakPolarHBondContact O-CG2 2.86Å
754E89.3Confident91.2Very high85 Ų8521.3 Ų21.340%0.39711%0.11SC..SBendtrans-81.3-29.2178.7-66.5-172.615700112.5S750 N752 V770S750-E754 PolarHBondContact OG-N 3.46Å; N752-E754 PolarHBondContact ND2-OE2 2.83Å; N752-E754 PolarHBondContact O-N 3.49Å; N752-E754 VanDerWaalsContact O-N 3.11Å; N752-E754 PolarHBondContact OD1-N 2.77Å; E754-V770 WeakPolarHBondContact O-CG2 3.47Å; E754-V770 PolarHBondContact O-N 3.33Å
755Y91.6Very high91.2Very high63 Ų6321.3 Ų21.325%0.24711%0.11CC..EExtended strand (participates in β ladder)trans-127154.4-174.3-51.9-74.5000112.1S750 W768 L776S750-Y755 PolarHBondContact N-O 3.35Å; S750-Y755 PolarHBondContact OG-N 3.49Å; S750-Y755 PolarHBondContact OG-O 2.85Å; S750-Y755 VanDerWaalsContact OG-O 3.1Å; Y755-W768 CarbonylContact C-O 3.6Å; Y755-W768 WeakPolarHBondContact CA-O 3.32Å; Y755-L776 HydrophobicContact CD1-CD2 4.08Å; Y755-L776 HydrophobicContact CE1-CD2 3.72Å
756V93.8Very high91.3Very high0 Ų020 Ų200%010%0.102CC..EExtended strand (participates in β ladder)trans-119127.4166.3170.30000107.7A715 L725 C747 F749 L767 W768 V770A715-V756 HydrophobicContact CB-CG1 4.46Å; A715-V756 HydrophobicContact CB-CG2 4.5Å; L725-V756 HydrophobicContact CD2-CG2 4.42Å; C747-V756 HydrophobicContact CB-CG1 4.4Å; F749-V756 HydrophobicContact CD1-CG2 3.45Å; F749-V756 VanDerWaalsContact CD1-CG2 3.45Å; F749-V756 HydrophobicContact CE1-CG2 3.38Å; F749-V756 HydrophobicContact CE2-CG2 4.48Å; F749-V756 HydrophobicContact CG-CG2 4.06Å; F749-V756 HydrophobicContact CZ-CG2 3.94Å; V756-L767 WeakPolarHBondContact O-CA 3.22Å; V756-W768 HydrophobicContact CB-CB 4.4Å; V756-W768 PolarHBondContact N-O 3.48Å; V756-W768 PolarHBondContact O-N 3.46Å; V756-V770 HydrophobicContact CG2-CG2 3.73Å
757A93.7Very high91.3Very high0 Ų019.7 Ų19.70%010%0.1CC..EExtended strand (participates in β ladder)trans-91.4139.7167.400000109.7C747 K748 K766 L767 W804 I811C747-A757 CarbonylContact C-O 3.49Å; C747-A757 WeakPolarHBondContact CA-O 3.17Å; K748-A757 PolarHBondContact N-O 3.09Å; K748-A757 PolarHBondContact O-N 3.02Å; A757-K766 WeakPolarHBondContact CA-O 3.48Å; A757-L767 HydrophobicContact CB-CD2 3.78Å; A757-W804 HydrophobicContact CB-CZ2 3.72Å; A757-I811 HydrophobicContact CB-CD1 3.46Å; A757-I811 VanDerWaalsContact CB-CD1 3.46Å
758S94.1Very high91.3Very high0 Ų019.9 Ų19.90%010%0.101CC..EExtended strand (participates in β ladder)trans-128.8141.9172.960.80000111.6I723 H740 H746 V765 K766 W768I723-S758 VanDerWaalsContact CD1-OG 3.31Å; I723-S758 WeakPolarHBondContact CD1-OG 3.37Å; H740-S758 PolarHBondContact NE2-OG 3.27Å; H746-S758 WeakPolarHBondContact O-CA 3.23Å; S758-V765 VanDerWaalsContact O-CA 3.31Å; S758-V765 WeakPolarHBondContact O-CA 3.34Å; S758-K766 PolarHBondContact N-O 3.23Å; S758-K766 PolarHBondContact O-N 3.45Å; S758-K766 PolarHBondContact OG-O 3.09Å; S758-W768 PolarHBondContact OG-NE1 3.44Å
759C92.8Very high91.3Very high0 Ų021.7 Ų21.70%011%0.11CC..EExtended strand (participates in β ladder)trans-123.2128.3-176.8-73.90000110.1V744 N745 H746 V799 C802V744-C759 WeakPolarHBondContact CG1-O 3.44Å; N745-C759 PolarHBondContact N-O 2.79Å; H746-C759 HydrophobicContact CB-CB 4.3Å; H746-C759 PolarHBondContact N-O 2.84Å; H746-C759 PolarHBondContact O-N 3.24Å; C759-V799 HydrophobicContact CB-CG1 3.92Å; C759-C802 WeakPolarHBondContact CB-SG 3.46Å; C759-C802 WeakPolarHBondContact SG-CB 3.38Å; C759-C802 CovalentContact SG-SG 2.05Å; C759-C802 PolarHBondContact SG-SG 3.37Å
760S92.4Very high91.1Very high0 Ų021.8 Ų21.80%011%0.111CC..EExtended strand (participates in β ladder)trans-128.7155.3-171.7174.90000113.6H740 N742 S743 D762 G763 T764 V799H740-S760 VanDerWaalsContact CE1-CB 3.49Å; H740-S760 WeakPolarHBondContact CE1-CB 3.34Å; H740-S760 WeakPolarHBondContact ND1-CB 3.47Å; N742-S760 PolarHBondContact O-OG 2.76Å; S743-S760 PolarHBondContact O-OG 3.42Å; S743-S760 VanDerWaalsContact O-OG 3.13Å; S760-D762 VanDerWaalsContact CB-OD1 3.25Å; S760-D762 WeakPolarHBondContact CB-OD1 3.38Å; S760-D762 WeakPolarHBondContact CB-OD2 3.43Å; S760-D762 PolarHBondContact O-N 2.94Å; S760-D762 PolarHBondContact OG-N 3.24Å; S760-D762 PolarHBondContact OG-OD1 3.35Å; S760-D762 PolarHBondContact OG-OD2 2.98Å; S760-G763 PolarHBondContact O-N 2.82Å; S760-T764 PolarHBondContact N-O 2.92Å; S760-V799 WeakPolarHBondContact O-CB 3.12Å
761T87.4Confident91Very high27 Ų2730.8 Ų30.817%0.16615%0.145CC..THydrogen-bonded Turntrans-64.6-15.9171.150.90000113.4N742 S743 N745 G763 L798N742-T761 VanDerWaalsContact CB-OG1 3.27Å; N742-T761 WeakPolarHBondContact CB-OG1 3.49Å; N742-T761 PolarHBondContact ND2-OG1 3.35Å; N742-T761 PolarHBondContact OD1-OG1 3.26Å; S743-T761 PolarHBondContact N-OG1 3.28Å; S743-T761 PolarHBondContact O-N 3.36Å; S743-T761 PolarHBondContact O-OG1 2.85Å; N745-T761 WeakPolarHBondContact ND2-CG2 3.49Å; T761-G763 PolarHBondContact O-N 3.4Å; T761-L798 HydrophobicContact CG2-CD2 3.74Å
762D87.9Confident90.9Very high19 Ų1930.1 Ų30.110%0.10214%0.142CC..THydrogen-bonded Turntrans-69-7.5175.36126.2000114.1H740 V741 N742 S760 T764 K782H740-D762 IonicContact CG-OD2 3.76Å; H740-D762 IonicContact ND1-OD1 2.64Å; H740-D762 IonicContact ND1-OD2 2.71Å; H740-D762 PolarHBondContact ND1-OD2 2.94Å; V741-D762 HydrophobicContact CB-CB 4.29Å; V741-D762 PolarHBondContact N-OD2 2.94Å; V741-D762 VanDerWaalsContact N-OD2 3.12Å; N742-D762 HydrophobicContact CB-CB 3.92Å; S760-D762 VanDerWaalsContact CB-OD1 3.25Å; S760-D762 WeakPolarHBondContact CB-OD1 3.38Å; S760-D762 WeakPolarHBondContact CB-OD2 3.43Å; S760-D762 PolarHBondContact O-N 2.94Å; S760-D762 PolarHBondContact OG-N 3.24Å; S760-D762 PolarHBondContact OG-OD1 3.35Å; S760-D762 PolarHBondContact OG-OD2 2.98Å; D762-T764 VanDerWaalsContact CG-OG1 3.31Å; D762-T764 WeakPolarHBondContact OD1-CA 3.43Å; D762-T764 VanDerWaalsContact OD1-CB 3.27Å; D762-T764 WeakPolarHBondContact OD1-CB 3.31Å; D762-T764 WeakPolarHBondContact OD1-CG2 3.35Å; D762-T764 PolarHBondContact OD1-N 3.4Å; D762-T764 PolarHBondContact OD1-OG1 3.34Å; D762-T764 PolarHBondContact OD2-OG1 3.42Å; D762-K782 WeakPolarHBondContact O-CE 3.41Å; D762-K782 PolarHBondContact O-NZ 3.03Å
763G87.3Confident91Very high1 Ų127.9 Ų27.91%0.0113%0.131CC..SBendtrans89.514.2-178.200000114S760 T761 I781 I797S760-G763 PolarHBondContact O-N 2.82Å; T761-G763 PolarHBondContact O-N 3.4Å; G763-I781 WeakPolarHBondContact O-CB 3.42Å; G763-I781 PolarHBondContact O-N 3.45Å; G763-I797 VanDerWaalsContact CA-O 3.28Å; G763-I797 WeakPolarHBondContact CA-O 3.43Å
764T91Very high91Very high18 Ų1831.7 Ų31.711%0.1115%0.152CC..EExtended strand (participates in β ladder)trans-116.5150.4-178.372.60000113H740 S760 D762 T778 I779 E780H740-T764 PolarHBondContact CE1-OG1 3.06Å; H740-T764 VanDerWaalsContact CE1-OG1 3.32Å; H740-T764 PolarHBondContact ND1-OG1 3.32Å; S760-T764 PolarHBondContact N-O 2.92Å; D762-T764 VanDerWaalsContact CG-OG1 3.31Å; D762-T764 WeakPolarHBondContact OD1-CA 3.43Å; D762-T764 VanDerWaalsContact OD1-CB 3.27Å; D762-T764 WeakPolarHBondContact OD1-CB 3.31Å; D762-T764 WeakPolarHBondContact OD1-CG2 3.35Å; D762-T764 PolarHBondContact OD1-N 3.4Å; D762-T764 PolarHBondContact OD1-OG1 3.34Å; D762-T764 PolarHBondContact OD2-OG1 3.42Å; T764-T778 HydrophobicContact CG2-CG2 4.31Å; T764-I779 WeakPolarHBondContact CA-O 3.09Å; T764-E780 HydrophobicContact CG2-CG 4.3Å
765V92.8Very high91.1Very high0 Ų031.5 Ų31.50%015%0.151CC..EExtended strand (participates in β ladder)trans-116.9125.2164.1173.50000108.5S758 I779 I781 V799 I811 V813S758-V765 VanDerWaalsContact O-CA 3.31Å; S758-V765 WeakPolarHBondContact O-CA 3.34Å; V765-I779 HydrophobicContact CB-CB 4.47Å; V765-I779 PolarHBondContact N-O 3.08Å; V765-I779 PolarHBondContact O-N 2.69Å; V765-I781 HydrophobicContact CG2-CD1 3.82Å; V765-V799 HydrophobicContact CG2-CG1 3.89Å; V765-I811 HydrophobicContact CG1-CD1 4.21Å; V765-V813 HydrophobicContact CG1-CG2 4.43Å; V765-V813 HydrophobicContact CG2-CG1 3.74Å; V765-V813 HydrophobicContact CG2-CG2 3.96Å
766K93.8Very high91Very high18 Ų1832.4 Ų32.48%0.07816%0.159CC..EExtended strand (participates in β ladder)trans-113.8143.6-180-67.5-178.5177.6-890110.7G739 A757 S758 W768 E775 K777 T778G739-K766 VanDerWaalsContact O-CE 3.27Å; G739-K766 WeakPolarHBondContact O-CE 3.42Å; A757-K766 WeakPolarHBondContact CA-O 3.48Å; S758-K766 PolarHBondContact N-O 3.23Å; S758-K766 PolarHBondContact O-N 3.45Å; S758-K766 PolarHBondContact OG-O 3.09Å; K766-W768 HydrophobicContact CB-CZ2 3.88Å; K766-W768 HydrophobicContact CD-CH2 4.13Å; K766-W768 HydrophobicContact CD-CZ2 3.57Å; K766-W768 HydrophobicContact CG-CZ2 4.37Å; K766-E775 VanDerWaalsContact NZ-CD 3.28Å; K766-E775 IonicContact NZ-OE1 2.77Å; K766-E775 PolarHBondContact NZ-OE1 3.16Å; K766-E775 IonicContact NZ-OE2 3.92Å; K766-E775 PolarHBondContact NZ-OE2 3.33Å; K766-K777 WeakPolarHBondContact CA-O 3.41Å; K766-T778 HydrophobicContact CG-CG2 4.32Å; K766-T778 WeakPolarHBondContact CG-OG1 3.34Å; K766-T778 PolarHBondContact NZ-OG1 3.4Å
767L93.6Very high90.7Very high0 Ų035 Ų350%017%0.171CC..EExtended strand (participates in β ladder)trans-112.5126.3174.5-60.7178000108.8V756 A757 L776 K777 W804 I811 V824V756-L767 WeakPolarHBondContact O-CA 3.22Å; A757-L767 HydrophobicContact CB-CD2 3.78Å; L767-L776 WeakPolarHBondContact O-CB 3.14Å; L767-L776 PolarHBondContact O-N 3.47Å; L767-K777 HydrophobicContact CB-CB 4.49Å; L767-K777 HydrophobicContact CD1-CB 4.49Å; L767-K777 PolarHBondContact N-O 3.28Å; L767-K777 PolarHBondContact O-N 3.14Å; L767-W804 HydrophobicContact CD2-CH2 3.81Å; L767-W804 HydrophobicContact CD2-CZ2 3.73Å; L767-I811 HydrophobicContact CD2-CD1 4.08Å; L767-V824 HydrophobicContact CD1-CG1 3.78Å
768W93.5Very high90.5Very high5 Ų537.2 Ų37.22%0.01919%0.185CC..EExtended strand (participates in β ladder)trans-116.6138.2-176.2-51.887.1000109.9I723 M737 F738 Y755 V756 S758 K766 N774 E775I723-W768 HydrophobicContact CD1-CZ2 4Å; M737-W768 HydrophobicContact CB-CD2 4.17Å; M737-W768 HydrophobicContact CB-CE3 3.81Å; M737-W768 HydrophobicContact CB-CH2 4.32Å; M737-W768 HydrophobicContact CB-CZ3 3.9Å; M737-W768 HydrophobicContact CE-CB 4.44Å; M737-W768 HydrophobicContact CE-CG 4.27Å; M737-W768 HydrophobicContact CG-CD2 4.47Å; M737-W768 HydrophobicContact CG-CE3 4.11Å; M737-W768 HydrophobicContact SD-CB 3.61Å; M737-W768 HydrophobicContact SD-CD2 3.9Å; M737-W768 HydrophobicContact SD-CE3 3.99Å; M737-W768 HydrophobicContact SD-CG 3.74Å; F738-W768 VanDerWaalsContact O-CH2 3.23Å; F738-W768 WeakPolarHBondContact O-CH2 2.96Å; Y755-W768 CarbonylContact C-O 3.6Å; Y755-W768 WeakPolarHBondContact CA-O 3.32Å; V756-W768 HydrophobicContact CB-CB 4.4Å; V756-W768 PolarHBondContact N-O 3.48Å; V756-W768 PolarHBondContact O-N 3.46Å; S758-W768 PolarHBondContact OG-NE1 3.44Å; K766-W768 HydrophobicContact CB-CZ2 3.88Å; K766-W768 HydrophobicContact CD-CH2 4.13Å; K766-W768 HydrophobicContact CD-CZ2 3.57Å; K766-W768 HydrophobicContact CG-CZ2 4.37Å; W768-N774 WeakPolarHBondContact CA-O 3.38Å; W768-E775 HydrophobicContact CE3-CB 3.91Å; W768-E775 HydrophobicContact CE3-CG 4.4Å; W768-E775 HydrophobicContact CH2-CB 4.13Å; W768-E775 HydrophobicContact CH2-CG 4.21Å; W768-E775 HydrophobicContact CZ3-CB 3.58Å; W768-E775 HydrophobicContact CZ3-CG 4.11Å
769E92.9Very high90.3Very high73 Ų7337.5 Ų37.534%0.34119%0.186SC..EExtended strand (participates in β ladder)trans-84.8126172.9-177.1-173.2-159.300110.2R771 S772 A773 N774E769-R771 PolarHBondContact O-N 3.23Å; E769-S772 WeakPolarHBondContact CB-OG 2.86Å; E769-S772 WeakPolarHBondContact OE2-CB 3.06Å; E769-S772 PolarHBondContact OE2-OG 3.27Å; E769-A773 WeakPolarHBondContact O-CA 3.4Å; E769-A773 PolarHBondContact O-N 3.47Å; E769-N774 PolarHBondContact N-O 3.41Å
770V90.2Very high90.1Very high7 Ų742.3 Ų42.34%0.04221%0.209CC..THydrogen-bonded Turntrans-67.6-32.7-170.8175.30000113.1L713 F749 D753 E754 V756L713-V770 HydrophobicContact CD1-CG1 3.79Å; F749-V770 HydrophobicContact CD1-CG2 4.03Å; F749-V770 HydrophobicContact CE1-CG1 4.2Å; F749-V770 HydrophobicContact CE1-CG2 3.68Å; D753-V770 WeakPolarHBondContact O-CG2 2.86Å; E754-V770 WeakPolarHBondContact O-CG2 3.47Å; E754-V770 PolarHBondContact O-N 3.33Å; V756-V770 HydrophobicContact CG2-CG2 3.73Å
771R88.6Confident89.7Confident190 Ų19042.3 Ų42.372%0.71721%0.209SC*.THydrogen-bonded Turntrans-75.2-43.4-176.8-67.9-176.3-175.9169.67.1112.3E769E769-R771 PolarHBondContact O-N 3.23Å
772S86.9Confident89.1Confident41 Ų4145.3 Ų45.329%0.28722%0.219SC..THydrogen-bonded Turntrans-91-22.1-177.363.60000112.7E769 N774E769-S772 WeakPolarHBondContact CB-OG 2.86Å; E769-S772 WeakPolarHBondContact OE2-CB 3.06Å; E769-S772 PolarHBondContact OE2-OG 3.27Å; S772-N774 PolarHBondContact O-N 3.49Å; S772-N774 PolarHBondContact OG-N 2.88Å
773A88.6Confident88.2Confident13 Ų1347.9 Ų47.911%0.10723%0.233CC..  trans56.423.2-16900000113.7N735 M737 E769N735-A773 HydrophobicContact CB-CB 3.61Å; N735-A773 WeakPolarHBondContact ND2-CB 3.4Å; M737-A773 HydrophobicContact CG-CB 4.07Å; M737-A773 HydrophobicContact SD-CB 4.37Å; E769-A773 WeakPolarHBondContact O-CA 3.4Å; E769-A773 PolarHBondContact O-N 3.47Å
774N89.4Confident87.4Confident105 Ų10551.6 Ų51.656%0.56125%0.249SC*.  trans-89.5150.6175.9-69.7-27.9000110.8W768 E769 S772 L776W768-N774 WeakPolarHBondContact CA-O 3.38Å; E769-N774 PolarHBondContact N-O 3.41Å; S772-N774 PolarHBondContact O-N 3.49Å; S772-N774 PolarHBondContact OG-N 2.88Å; N774-L776 PolarHBondContact O-N 2.87Å
775E91.4Very high86.3Confident82 Ų8252.1 Ų52.138%0.38325%0.25SC..EExtended strand (participates in β ladder)trans-67.1122.9168.7-165.8-174.8128.200109.2K766 W768 T778K766-E775 VanDerWaalsContact NZ-CD 3.28Å; K766-E775 IonicContact NZ-OE1 2.77Å; K766-E775 PolarHBondContact NZ-OE1 3.16Å; K766-E775 IonicContact NZ-OE2 3.92Å; K766-E775 PolarHBondContact NZ-OE2 3.33Å; W768-E775 HydrophobicContact CE3-CB 3.91Å; W768-E775 HydrophobicContact CE3-CG 4.4Å; W768-E775 HydrophobicContact CH2-CB 4.13Å; W768-E775 HydrophobicContact CH2-CG 4.21Å; W768-E775 HydrophobicContact CZ3-CB 3.58Å; W768-E775 HydrophobicContact CZ3-CG 4.11Å; E775-T778 PolarHBondContact OE1-OG1 3.01Å
776L88Confident84.8Confident81 Ų8160.1 Ų60.142%0.42428%0.28SS..EExtended strand (participates in β ladder)trans-87.7-48.9174.6-173.879.4000110.5Y755 L767 N774Y755-L776 HydrophobicContact CD1-CD2 4.08Å; Y755-L776 HydrophobicContact CE1-CD2 3.72Å; L767-L776 WeakPolarHBondContact O-CB 3.14Å; L767-L776 PolarHBondContact O-N 3.47Å; N774-L776 PolarHBondContact O-N 2.87Å
777K87.9Confident82.9Confident55 Ų5563 Ų6324%0.23930%0.299CS..EExtended strand (participates in β ladder)trans-151.2149.5-175.2-63.4-165.8178.6-178.10112.3K766 L767 V824 K825 S827K766-K777 WeakPolarHBondContact CA-O 3.41Å; L767-K777 HydrophobicContact CB-CB 4.49Å; L767-K777 HydrophobicContact CD1-CB 4.49Å; L767-K777 PolarHBondContact N-O 3.28Å; L767-K777 PolarHBondContact O-N 3.14Å; K777-V824 PolarHBondContact NZ-O 3.13Å; K777-K825 VanDerWaalsContact NZ-C 3.28Å; K777-K825 PolarHBondContact NZ-O 3.27Å; K777-S827 WeakPolarHBondContact CD-OG 3.39Å; K777-S827 PolarHBondContact NZ-OG 3.29Å
778T90.9Very high80.9Confident47 Ų4768.2 Ų68.229%0.28834%0.342SS..EExtended strand (participates in β ladder)trans-117134.6166.1-70.60000109.7T764 K766 E775 E780T764-T778 HydrophobicContact CG2-CG2 4.31Å; K766-T778 HydrophobicContact CG-CG2 4.32Å; K766-T778 WeakPolarHBondContact CG-OG1 3.34Å; K766-T778 PolarHBondContact NZ-OG1 3.4Å; E775-T778 PolarHBondContact OE1-OG1 3.01Å; T778-E780 HydrophobicContact CG2-CG 4.2Å
779I89.3Confident78.6Confident6 Ų675.8 Ų75.83%0.03138%0.383CS..EExtended strand (participates in β ladder)trans-114.2113.8171.4-56.3175.1000107T764 V765 F784 F822T764-I779 WeakPolarHBondContact CA-O 3.09Å; V765-I779 HydrophobicContact CB-CB 4.47Å; V765-I779 PolarHBondContact N-O 3.08Å; V765-I779 PolarHBondContact O-N 2.69Å; I779-F784 HydrophobicContact CG2-CE2 4.44Å; I779-F822 HydrophobicContact CD1-CB 4.29Å; I779-F822 HydrophobicContact CD1-CG 4.31Å; I779-F822 HydrophobicContact CG2-CD1 4.15Å; I779-F822 HydrophobicContact CG2-CE1 3.84Å; I779-F822 HydrophobicContact CG2-CE2 4.39Å; I779-F822 HydrophobicContact CG2-CZ 3.97Å
780E87.7Confident76.5Confident101 Ų10177.8 Ų77.847%0.47239%0.392SS..EExtended strand (participates in β ladder)trans-87115.7176.2-66.9-169.4-170.900110.2T764 T778 F784T764-E780 HydrophobicContact CG2-CG 4.3Å; T778-E780 HydrophobicContact CG2-CG 4.2Å; E780-F784 WeakPolarHBondContact O-CD2 3.36Å; E780-F784 VanDerWaalsContact O-CE2 3.29Å; E780-F784 WeakPolarHBondContact O-CE2 3.3Å
781I84.1Confident74.4Confident0 Ų084.4 Ų84.40%042%0.423CS..SBendtrans-82.1-25.1-175.7-56.9-166.5000111.4G763 V765 D783 F784 F785 I797 V799 V813 A815 L820G763-I781 WeakPolarHBondContact O-CB 3.42Å; G763-I781 PolarHBondContact O-N 3.45Å; V765-I781 HydrophobicContact CG2-CD1 3.82Å; I781-D783 PolarHBondContact O-N 3.25Å; I781-F784 PolarHBondContact O-N 3.38Å; I781-F785 HydrophobicContact CG2-CD2 4.02Å; I781-F785 HydrophobicContact CG2-CE2 3.65Å; I781-I797 HydrophobicContact CG2-CG2 4.25Å; I781-V799 HydrophobicContact CD1-CG1 4.09Å; I781-V799 HydrophobicContact CD1-CG2 3.69Å; I781-V799 HydrophobicContact CG1-CG2 4.37Å; I781-V813 HydrophobicContact CD1-CB 4.36Å; I781-V813 HydrophobicContact CD1-CG1 3.44Å; I781-V813 VanDerWaalsContact CD1-CG1 3.44Å; I781-A815 HydrophobicContact CG2-CB 3.93Å; I781-L820 HydrophobicContact CG2-CD1 3.71Å
782K74.6Confident72.6Confident90 Ų9080.8 Ų80.839%0.39142%0.424SS..G310 helixtrans-51.7-40.1177.7-69.6-178175.2175.80112.6D762 F784 F785 I797D762-K782 WeakPolarHBondContact O-CE 3.41Å; D762-K782 PolarHBondContact O-NZ 3.03Å; K782-F784 PolarHBondContact O-N 3.49Å; K782-F785 PolarHBondContact O-N 3.23Å; K782-I797 HydrophobicContact CG-CD1 4.41Å; K782-I797 HydrophobicContact CG-CG1 4.4Å
783D69.8Low70.8Confident73 Ų7385.9 Ų85.939%0.3945%0.448SS..G310 helixtrans-61.4-30.5-179.7-71.5-10.8000113.3I781 F785 R786I781-D783 PolarHBondContact O-N 3.25Å; D783-F785 VanDerWaalsContact C-N 3.33Å; D783-F785 PolarHBondContact O-N 3.05Å; D783-R786 IonicContact OD1-CZ 3.7Å; D783-R786 IonicContact OD1-NE 3.19Å; D783-R786 IonicContact OD1-NH1 3.67Å; D783-R786 PolarHBondContact OD1-NH1 3.22Å; D783-R786 IonicContact OD1-NH2 3.35Å; D783-R786 PolarHBondContact OD1-NH2 3.19Å
784F70.4Confident69.1Low78 Ų7891.8 Ų91.834%0.34248%0.478SS..G310 helixtrans-83.5-6.2-176.5-61.2-82.4000114.3I779 E780 I781 K782 F822 L829I779-F784 HydrophobicContact CG2-CE2 4.44Å; E780-F784 WeakPolarHBondContact O-CD2 3.36Å; E780-F784 VanDerWaalsContact O-CE2 3.29Å; E780-F784 WeakPolarHBondContact O-CE2 3.3Å; I781-F784 PolarHBondContact O-N 3.38Å; K782-F784 PolarHBondContact O-N 3.49Å; F784-F822 HydrophobicContact CD2-CE1 4.4Å; F784-F822 HydrophobicContact CD2-CZ 4.2Å; F784-F822 HydrophobicContact CE1-CE1 4.3Å; F784-F822 AromaticContact CE2-CE1 3.77Å; F784-F822 HydrophobicContact CE2-CE1 3.77Å; F784-F822 AromaticContact CE2-CZ 3.97Å; F784-F822 HydrophobicContact CE2-CZ 3.97Å; F784-F822 AromaticContact CZ-CE1 3.72Å; F784-F822 HydrophobicContact CZ-CE1 3.72Å; F784-F822 HydrophobicContact CZ-CZ 4.32Å; F784-L829 HydrophobicContact CD1-CB 4.35Å; F784-L829 HydrophobicContact CD1-CD2 4.03Å; F784-L829 HydrophobicContact CE1-CB 3.92Å; F784-L829 HydrophobicContact CE1-CD2 4.43Å
785F68.6Low67.6Low30 Ų3088.7 Ų88.713%0.13246%0.463CS..G310 helixtrans-112-1.6176.5-74.3-97.3000113.1I781 K782 D783 T787 I797 A815 K816 K818 L820I781-F785 HydrophobicContact CG2-CD2 4.02Å; I781-F785 HydrophobicContact CG2-CE2 3.65Å; K782-F785 PolarHBondContact O-N 3.23Å; D783-F785 VanDerWaalsContact C-N 3.33Å; D783-F785 PolarHBondContact O-N 3.05Å; F785-T787 PolarHBondContact O-N 3.27Å; F785-T787 VanDerWaalsContact O-N 3.15Å; F785-I797 HydrophobicContact CB-CD1 3.33Å; F785-I797 HydrophobicContact CD1-CD1 4.34Å; F785-I797 HydrophobicContact CD2-CD1 3.37Å; F785-I797 HydrophobicContact CD2-CG2 4.24Å; F785-I797 HydrophobicContact CE2-CD1 4.19Å; F785-I797 HydrophobicContact CE2-CG2 4.06Å; F785-I797 HydrophobicContact CG-CD1 3.45Å; F785-I797 VanDerWaalsContact CG-CD1 3.45Å; F785-A815 HydrophobicContact CE2-CB 3.84Å; F785-A815 HydrophobicContact CZ-CB 3.87Å; F785-K816 HydrophobicContact CE1-CD 4.29Å; F785-K818 HydrophobicContact CD1-CD 4.45Å; F785-K818 HydrophobicContact CE1-CD 3.55Å; F785-K818 HydrophobicContact CE1-CG 4.21Å; F785-K818 HydrophobicContact CZ-CB 4.31Å; F785-K818 HydrophobicContact CZ-CD 3.74Å; F785-K818 HydrophobicContact CZ-CG 4.28Å; F785-L820 HydrophobicContact CE2-CD1 4.07Å
786R61.5Low66.3Low167 Ų16792.1 Ų92.163%0.6348%0.479SS*.  trans-62.6116.1175.8-72.7-173.8178.7140.911.5110D783D783-R786 IonicContact OD1-CZ 3.7Å; D783-R786 IonicContact OD1-NE 3.19Å; D783-R786 IonicContact OD1-NH1 3.67Å; D783-R786 PolarHBondContact OD1-NH1 3.22Å; D783-R786 IonicContact OD1-NH2 3.35Å; D783-R786 PolarHBondContact OD1-NH2 3.19Å
787T53.9Low65.7Low80 Ų8088.3 Ų88.349%0.49146%0.459SS..  trans-85.5154.215858.90000108.6F785 D789 E790F785-T787 PolarHBondContact O-N 3.27Å; F785-T787 VanDerWaalsContact O-N 3.15Å; T787-D789 PolarHBondContact O-N 3.14Å; T787-E790 VanDerWaalsContact OG1-CD 3.3Å; T787-E790 WeakPolarHBondContact OG1-CG 3.41Å; T787-E790 PolarHBondContact OG1-OE2 3.19Å
788A50.7Low65.3Low109 Ų10989.7 Ų89.790%0.90147%0.468SS*.THydrogen-bonded Turntrans-64.2-10.4-173.400000114.6
789D44.9Very low65Low164 Ų16487.4 Ų87.488%0.87745%0.454SS*.THydrogen-bonded Turntrans-110.7-0.5-171.4-69.5-31.1000114.8T787T787-D789 PolarHBondContact O-N 3.14Å
790E49.2Very low64.7Low114 Ų11489.7 Ų89.753%0.53346%0.464SS..  trans-100.7135.8-175.5-74.3174.4163.800113.2T787T787-E790 VanDerWaalsContact OG1-CD 3.3Å; T787-E790 WeakPolarHBondContact OG1-CG 3.41Å; T787-E790 PolarHBondContact OG1-OE2 3.19Å
791Q46.8Very low64.8Low147 Ų14784.9 Ų84.969%0.68744%0.441SS*.  trans-69.1151176.4-73-149.92.500112.1D793Q791-D793 VanDerWaalsContact C-N 3.26Å; Q791-D793 PolarHBondContact O-N 2.93Å; Q791-D793 VanDerWaalsContact O-N 3.13Å
792P49.2Very low65.1Low114 Ų11484.9 Ų84.974%0.7444%0.441SS*.THydrogen-bonded Turntrans-63.8-18.9-169.720.9-32.2000116.2
793D50.8Low65.8Low148 Ų14880.7 Ų80.779%0.79142%0.424SS*.THydrogen-bonded Turntrans-99.3-9.4-169.7-71.3-24.5000115.2Q791Q791-D793 VanDerWaalsContact C-N 3.26Å; Q791-D793 PolarHBondContact O-N 2.93Å; Q791-D793 VanDerWaalsContact O-N 3.13Å
794D52Low66.8Low136 Ų13677.8 Ų77.873%0.72741%0.407SS*.SBendtrans-98.4-6.6-166.5-74.7-27.2000115.8
795V57.9Low67.6Low41 Ų4174.3 Ų74.325%0.24839%0.393CS..  trans-111.687-175.7-164.50000112I797 K816V795-I797 HydrophobicContact CG1-CD1 4.15Å; V795-I797 HydrophobicContact CG1-CG1 3.83Å; V795-I797 PolarHBondContact O-N 3.39Å; V795-K816 VanDerWaalsContact CG1-NZ 3.28Å
796E65.1Low68.1Low154 Ų15475.5 Ų75.572%0.7241%0.414SS*.  trans-67.8122.1163.8-70.3-169.5162.300109.9K816E796-K816 WeakPolarHBondContact O-CE 3.33Å
797I74.6Confident69Low1 Ų172.7 Ų72.71%0.00541%0.411CS..  trans-115.8105.9177.8-51.5-168000108.4G763 I781 K782 F785 V795 V799 A815G763-I797 VanDerWaalsContact CA-O 3.28Å; G763-I797 WeakPolarHBondContact CA-O 3.43Å; I781-I797 HydrophobicContact CG2-CG2 4.25Å; K782-I797 HydrophobicContact CG-CD1 4.41Å; K782-I797 HydrophobicContact CG-CG1 4.4Å; F785-I797 HydrophobicContact CB-CD1 3.33Å; F785-I797 HydrophobicContact CD1-CD1 4.34Å; F785-I797 HydrophobicContact CD2-CD1 3.37Å; F785-I797 HydrophobicContact CD2-CG2 4.24Å; F785-I797 HydrophobicContact CE2-CD1 4.19Å; F785-I797 HydrophobicContact CE2-CG2 4.06Å; F785-I797 HydrophobicContact CG-CD1 3.45Å; F785-I797 VanDerWaalsContact CG-CD1 3.45Å; V795-I797 HydrophobicContact CG1-CD1 4.15Å; V795-I797 HydrophobicContact CG1-CG1 3.83Å; V795-I797 PolarHBondContact O-N 3.39Å; I797-V799 PolarHBondContact O-N 3.19Å; I797-A815 HydrophobicContact CG2-CB 3.85Å
798L78.7Confident70.4Confident83 Ų8370.6 Ų70.644%0.43540%0.4SS..  trans-82.1116179.9-64.8157.1000109.6T761T761-L798 HydrophobicContact CG2-CD2 3.74Å
799V84.6Confident72Confident0 Ų067.1 Ų67.10%037%0.371CS..EExtended strand (participates in β ladder)trans-89.9120.4170.6-166.30000108.4N745 C759 S760 V765 I781 I797 V813 V814N745-V799 PolarHBondContact ND2-O 3.08Å; C759-V799 HydrophobicContact CB-CG1 3.92Å; S760-V799 WeakPolarHBondContact O-CB 3.12Å; V765-V799 HydrophobicContact CG2-CG1 3.89Å; I781-V799 HydrophobicContact CD1-CG1 4.09Å; I781-V799 HydrophobicContact CD1-CG2 3.69Å; I781-V799 HydrophobicContact CG1-CG2 4.37Å; I797-V799 PolarHBondContact O-N 3.19Å; V799-V813 HydrophobicContact CG1-CG1 3.39Å; V799-V814 WeakPolarHBondContact CA-O 2.83Å; V799-V814 WeakPolarHBondContact CG1-O 3.48Å
800K84.7Confident74.1Confident53 Ų5360.6 Ų60.623%0.2334%0.337CS..EExtended strand (participates in β ladder)trans-97.1-55.5-172.5-71.4-172.2-178.3-179.80113.6H746 V814 I841H746-K800 WeakPolarHBondContact CB-O 3.48Å; K800-V814 PolarHBondContact N-O 3.22Å; K800-I841 WeakPolarHBondContact CD-O 3.12Å; K800-I841 WeakPolarHBondContact CE-O 3.25Å; K800-I841 PolarHBondContact NZ-O 2.83Å
801C88.1Confident76Confident0 Ų055.1 Ų55.10%031%0.311CS..EExtended strand (participates in β ladder)trans-134.3154.2-176.759.10000111.7V814 Y843 C844C801-V814 PolarHBondContact O-N 2.82Å; C801-V814 VanDerWaalsContact O-N 3.14Å; C801-V814 VanDerWaalsContact SG-CB 3.57Å; C801-V814 WeakPolarHBondContact SG-CG2 3.36Å; C801-Y843 HydrophobicContact CB-CD2 4.25Å; C801-Y843 HydrophobicContact CB-CE2 4.4Å; C801-C844 WeakPolarHBondContact CB-SG 3.34Å; C801-C844 WeakPolarHBondContact SG-CB 3.39Å; C801-C844 PolarHBondContact SG-N 3.16Å; C801-C844 CovalentContact SG-SG 2.08Å; C801-C844 PolarHBondContact SG-SG 3.21Å
802C90.8Very high78.1Confident0 Ų048.3 Ų48.30%028%0.279CS..EExtended strand (participates in β ladder)trans-128.9143.3166.318.10000110.6H746 C759 I811 L812H746-C802 PolarHBondContact CE1-O 3.41Å; H746-C802 PolarHBondContact ND1-O 3.38Å; C759-C802 WeakPolarHBondContact CB-SG 3.46Å; C759-C802 WeakPolarHBondContact SG-CB 3.38Å; C759-C802 CovalentContact SG-SG 2.05Å; C759-C802 PolarHBondContact SG-SG 3.37Å; C802-I811 HydrophobicContact CB-CD1 4.12Å; C802-I811 HydrophobicContact CB-CG1 4.34Å; C802-L812 VanDerWaalsContact CA-O 3.27Å; C802-L812 WeakPolarHBondContact CA-O 3.37Å
803S90.1Very high80Confident2 Ų242.9 Ų42.91%0.01424%0.244CC..EExtended strand (participates in β ladder)trans-137.4144.5170.5-156.50000111.3K748 L812 D845K748-S803 PolarHBondContact NZ-OG 3.17Å; S803-L812 PolarHBondContact N-O 2.95Å; S803-L812 PolarHBondContact O-N 3.22Å; S803-D845 PolarHBondContact OG-OD1 3.26Å
804W90.2Very high81.8Confident12 Ų1235.9 Ų35.95%0.04521%0.207CC..EExtended strand (participates in β ladder)trans-89.3144.7-179.5-7090.2000110.5K748 P751 A757 L767 I811 V824K748-W804 PolarHBondContact O-NE1 3.12Å; P751-W804 HydrophobicContact CG-CB 4.13Å; A757-W804 HydrophobicContact CB-CZ2 3.72Å; L767-W804 HydrophobicContact CD2-CH2 3.81Å; L767-W804 HydrophobicContact CD2-CZ2 3.73Å; W804-I811 HydrophobicContact CZ2-CD1 4.46Å; W804-V824 HydrophobicContact CE3-CG2 4.27Å; W804-V824 HydrophobicContact CH2-CG1 4.31Å; W804-V824 HydrophobicContact CH2-CG2 4.19Å; W804-V824 HydrophobicContact CZ3-CB 4.42Å; W804-V824 HydrophobicContact CZ3-CG1 4.16Å; W804-V824 HydrophobicContact CZ3-CG2 3.58Å
805S87.7Confident83.4Confident6 Ų629.4 Ų29.44%0.04217%0.172CC..  trans-68151.2163.859.10000110.7N807 S808 T810S805-N807 WeakPolarHBondContact CB-OD1 3.26Å; S805-N807 PolarHBondContact O-N 2.94Å; S805-N807 PolarHBondContact OG-OD1 2.96Å; S805-S808 PolarHBondContact O-N 3.44Å; S805-T810 WeakPolarHBondContact CB-OG1 3.37Å; S805-T810 PolarHBondContact N-O 3.32Å; S805-T810 PolarHBondContact OG-N 2.59Å; S805-T810 PolarHBondContact OG-O 3.25Å; S805-T810 VanDerWaalsContact OG-O 3.04Å; S805-T810 PolarHBondContact OG-OG1 2.84Å
806G78.6Confident84.6Confident55 Ų5531.5 Ų31.557%0.56718%0.178SC*.THydrogen-bonded Turntrans-57.4-22.2-178.200000115
807N80.6Confident85.4Confident108 Ų10825.9 Ų25.958%0.57815%0.153SC*.THydrogen-bonded Turntrans-91.64176.3663.8000114.5S805 A809S805-N807 WeakPolarHBondContact CB-OD1 3.26Å; S805-N807 PolarHBondContact O-N 2.94Å; S805-N807 PolarHBondContact OG-OD1 2.96Å; N807-A809 PolarHBondContact O-N 3.19Å; N807-A809 WeakPolarHBondContact OD1-CB 3.18Å; N807-A809 PolarHBondContact OD1-N 3.3Å; N807-A809 VanDerWaalsContact OD1-N 3.12Å
808S82.8Confident85.9Confident36 Ų3627.7 Ų27.725%0.25216%0.161SC..SBendtrans58.58.9-176.668.90000116.3S805S805-S808 PolarHBondContact O-N 3.44Å
809A84.4Confident86.3Confident36 Ų3624 Ų2430%0.29814%0.141SC..SBendtrans-85.5-31.2-176.400000113N807 V824N807-A809 PolarHBondContact O-N 3.19Å; N807-A809 WeakPolarHBondContact OD1-CB 3.18Å; N807-A809 PolarHBondContact OD1-N 3.3Å; N807-A809 VanDerWaalsContact OD1-N 3.12Å; A809-V824 WeakPolarHBondContact O-CB 3.37Å; A809-V824 WeakPolarHBondContact O-CG2 3.41Å; A809-V824 PolarHBondContact O-N 2.97Å
810T88.4Confident86.6Confident26 Ų2624 Ų2416%0.1614%0.141CC..EExtended strand (participates in β ladder)trans-124.3149.5-176.858.50000111.2S805 F822 L830S805-T810 WeakPolarHBondContact CB-OG1 3.37Å; S805-T810 PolarHBondContact N-O 3.32Å; S805-T810 PolarHBondContact OG-N 2.59Å; S805-T810 PolarHBondContact OG-O 3.25Å; S805-T810 VanDerWaalsContact OG-O 3.04Å; S805-T810 PolarHBondContact OG-OG1 2.84Å; T810-F822 CarbonylContact C-O 3.54Å; T810-F822 WeakPolarHBondContact CA-O 3.5Å; T810-F822 WeakPolarHBondContact CB-O 3.45Å; T810-L830 HydrophobicContact CG2-CD1 3.59Å
811I90.2Very high86.8Confident0 Ų022.2 Ų22.20%013%0.134CC..EExtended strand (participates in β ladder)trans-121.5128.4175.1-169.3168.8000109.2A757 V765 L767 C802 W804 V813 F822 V824A757-I811 HydrophobicContact CB-CD1 3.46Å; A757-I811 VanDerWaalsContact CB-CD1 3.46Å; V765-I811 HydrophobicContact CG1-CD1 4.21Å; L767-I811 HydrophobicContact CD2-CD1 4.08Å; C802-I811 HydrophobicContact CB-CD1 4.12Å; C802-I811 HydrophobicContact CB-CG1 4.34Å; W804-I811 HydrophobicContact CZ2-CD1 4.46Å; I811-V813 HydrophobicContact CG1-CG2 4.31Å; I811-V813 HydrophobicContact CG2-CG2 4.48Å; I811-F822 HydrophobicContact CG2-CB 3.76Å; I811-F822 PolarHBondContact N-O 3.2Å; I811-F822 PolarHBondContact O-N 2.9Å; I811-V824 HydrophobicContact CB-CG2 4.16Å; I811-V824 HydrophobicContact CG2-CG2 4.16Å
812L90.2Very high86.9Confident3 Ų322.2 Ų22.22%0.01613%0.134CC..EExtended strand (participates in β ladder)trans-92131172.9-175.474.1000108.6C802 S803 L819 L821 F846 V853C802-L812 VanDerWaalsContact CA-O 3.27Å; C802-L812 WeakPolarHBondContact CA-O 3.37Å; S803-L812 PolarHBondContact N-O 2.95Å; S803-L812 PolarHBondContact O-N 3.22Å; L812-L819 HydrophobicContact CD1-CB 4.11Å; L812-L821 HydrophobicContact CB-CD1 4.4Å; L812-L821 HydrophobicContact CD1-CD1 4.2Å; L812-F846 HydrophobicContact CB-CD2 4.31Å; L812-F846 HydrophobicContact CD2-CD2 4.47Å; L812-V853 HydrophobicContact CD2-CB 4.29Å; L812-V853 HydrophobicContact CD2-CG1 3.47Å; L812-V853 VanDerWaalsContact CD2-CG1 3.47Å; L812-V853 HydrophobicContact CD2-CG2 3.75Å
813V90Very high86.8Confident1 Ų123.6 Ų23.61%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-128.7139.6-179.9-176.40000110.2V765 I781 V799 I811 L820 F822V765-V813 HydrophobicContact CG1-CG2 4.43Å; V765-V813 HydrophobicContact CG2-CG1 3.74Å; V765-V813 HydrophobicContact CG2-CG2 3.96Å; I781-V813 HydrophobicContact CD1-CB 4.36Å; I781-V813 HydrophobicContact CD1-CG1 3.44Å; I781-V813 VanDerWaalsContact CD1-CG1 3.44Å; V799-V813 HydrophobicContact CG1-CG1 3.39Å; I811-V813 HydrophobicContact CG1-CG2 4.31Å; I811-V813 HydrophobicContact CG2-CG2 4.48Å; V813-L820 PolarHBondContact N-O 3.45Å; V813-L820 PolarHBondContact O-N 3.43Å; V813-F822 HydrophobicContact CB-CD2 4.47Å; V813-F822 HydrophobicContact CB-CE2 4.38Å; V813-F822 HydrophobicContact CG2-CD2 4.05Å; V813-F822 HydrophobicContact CG2-CE2 4.35Å
814V88.1Confident86.6Confident0 Ų024.2 Ų24.20%015%0.145CC..EExtended strand (participates in β ladder)trans-106.1124.7176.1172.70000111.1V799 K800 C801 L819 I841 C844V799-V814 WeakPolarHBondContact CA-O 2.83Å; V799-V814 WeakPolarHBondContact CG1-O 3.48Å; K800-V814 PolarHBondContact N-O 3.22Å; C801-V814 PolarHBondContact O-N 2.82Å; C801-V814 VanDerWaalsContact O-N 3.14Å; C801-V814 VanDerWaalsContact SG-CB 3.57Å; C801-V814 WeakPolarHBondContact SG-CG2 3.36Å; V814-L819 HydrophobicContact CG2-CD2 3.62Å; V814-I841 HydrophobicContact CB-CG2 4.38Å; V814-I841 HydrophobicContact CG1-CB 3.51Å; V814-I841 HydrophobicContact CG1-CD1 4.02Å; V814-I841 HydrophobicContact CG1-CG1 4.36Å; V814-I841 HydrophobicContact CG1-CG2 3.47Å; V814-I841 VanDerWaalsContact CG1-CG2 3.47Å; V814-I841 HydrophobicContact CG2-CG2 4.01Å; V814-C844 HydrophobicContact CG2-CB 3.57Å; V814-C844 WeakPolarHBondContact CG2-SG 3.33Å
815A86.1Confident86.4Confident0 Ų032.1 Ų32.10%018%0.18CC..EExtended strand (participates in β ladder)trans-136.9125172.400000110.1I781 F785 I797 N817 K818 L820I781-A815 HydrophobicContact CG2-CB 3.93Å; F785-A815 HydrophobicContact CE2-CB 3.84Å; F785-A815 HydrophobicContact CZ-CB 3.87Å; I797-A815 HydrophobicContact CG2-CB 3.85Å; A815-N817 PolarHBondContact O-N 3.39Å; A815-N817 VanDerWaalsContact O-N 3.08Å; A815-K818 PolarHBondContact N-O 2.66Å; A815-K818 PolarHBondContact O-N 3.47Å; A815-L820 HydrophobicContact CB-CD1 4.39Å
816K82.1Confident86.3Confident85 Ų8535.3 Ų35.337%0.3720%0.199SC..THydrogen-bonded Turntrans53.5-107.7-175.4-61.2-176.3175.1-177.20112.5F785 V795 E796 I841F785-K816 HydrophobicContact CE1-CD 4.29Å; V795-K816 VanDerWaalsContact CG1-NZ 3.28Å; E796-K816 WeakPolarHBondContact O-CE 3.33Å; K816-I841 PolarHBondContact O-N 3.08Å
817N81.8Confident86.5Confident36 Ų3634.1 Ų34.119%0.19318%0.182CC..THydrogen-bonded Turntrans-114.713.7-179.766.4-24.9000113.1A815 V835 S836A815-N817 PolarHBondContact O-N 3.39Å; A815-N817 VanDerWaalsContact O-N 3.08Å; N817-V835 PolarHBondContact O-N 3.27Å; N817-V835 VanDerWaalsContact O-N 3.13Å; N817-S836 WeakPolarHBondContact CB-O 3.42Å; N817-S836 PolarHBondContact ND2-O 3.43Å
818K86.1Confident86.7Confident40 Ų4033.8 Ų33.817%0.17418%0.181CC..EExtended strand (participates in β ladder)trans-115.5143-176.6-59.2-174.9-1801770111.8F785 A815 Q832 V833 V834F785-K818 HydrophobicContact CD1-CD 4.45Å; F785-K818 HydrophobicContact CE1-CD 3.55Å; F785-K818 HydrophobicContact CE1-CG 4.21Å; F785-K818 HydrophobicContact CZ-CB 4.31Å; F785-K818 HydrophobicContact CZ-CD 3.74Å; F785-K818 HydrophobicContact CZ-CG 4.28Å; A815-K818 PolarHBondContact N-O 2.66Å; A815-K818 PolarHBondContact O-N 3.47Å; K818-Q832 HydrophobicContact CD-CG 4.18Å; K818-Q832 VanDerWaalsContact CE-NE2 3.31Å; K818-V833 CarbonylContact C-O 3.52Å; K818-V833 VanDerWaalsContact CA-O 3.3Å; K818-V833 WeakPolarHBondContact CA-O 3.49Å; K818-V834 HydrophobicContact CG-CG2 4.28Å
819L87.6Confident86.9Confident5 Ų534.6 Ų34.63%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-96.3125.9162.3-55.9177000108.5L812 V814 Q832 V833 V835 I841 V853 V855L812-L819 HydrophobicContact CD1-CB 4.11Å; V814-L819 HydrophobicContact CG2-CD2 3.62Å; L819-Q832 WeakPolarHBondContact O-CA 3.43Å; L819-V833 HydrophobicContact CB-CB 4.18Å; L819-V833 HydrophobicContact CD1-CB 4.36Å; L819-V833 PolarHBondContact N-O 2.76Å; L819-V833 PolarHBondContact O-N 3.47Å; L819-V835 HydrophobicContact CD1-CG2 3.91Å; L819-V835 HydrophobicContact CD2-CG2 4.46Å; L819-V835 HydrophobicContact CG-CG2 3.75Å; L819-I841 HydrophobicContact CD2-CD1 3.8Å; L819-I841 HydrophobicContact CG-CD1 4.31Å; L819-V853 HydrophobicContact CD1-CG1 4.36Å; L819-V855 HydrophobicContact CD1-CG2 3.84Å; L819-V855 HydrophobicContact CD2-CG2 4.11Å; L819-V855 HydrophobicContact CG-CG2 4.5Å
820L89.3Confident87Confident0 Ų036.9 Ų36.90%019%0.188CC..EExtended strand (participates in β ladder)trans-115.8122.1178.6-59.5174.2000108.8I781 F785 V813 A815 F822 L829 Q832I781-L820 HydrophobicContact CG2-CD1 3.71Å; F785-L820 HydrophobicContact CE2-CD1 4.07Å; V813-L820 PolarHBondContact N-O 3.45Å; V813-L820 PolarHBondContact O-N 3.43Å; A815-L820 HydrophobicContact CB-CD1 4.39Å; L820-F822 HydrophobicContact CB-CD2 4.24Å; L820-F822 HydrophobicContact CB-CE2 3.54Å; L820-F822 HydrophobicContact CB-CZ 4.15Å; L820-F822 HydrophobicContact CD1-CE2 4.21Å; L820-F822 HydrophobicContact CD1-CZ 4.31Å; L820-L829 HydrophobicContact CB-CD1 3.89Å; L820-L829 HydrophobicContact CD2-CD1 3.9Å; L820-L829 HydrophobicContact CD2-CD2 4.47Å; L820-L829 HydrophobicContact CG-CD1 4.46Å; L820-Q832 HydrophobicContact CD2-CB 4.13Å; L820-Q832 HydrophobicContact CD2-CG 3.82Å
821L89.9Confident86.7Confident15 Ų1538.7 Ų38.78%0.07920%0.197CC..EExtended strand (participates in β ladder)trans-103.1118.5177.8-171.377.5000109.6L812 L830 N831 I867L812-L821 HydrophobicContact CB-CD1 4.4Å; L812-L821 HydrophobicContact CD1-CD1 4.2Å; L821-L830 HydrophobicContact CD2-CB 4.17Å; L821-L830 HydrophobicContact CD2-CD1 4.08Å; L821-L830 HydrophobicContact CG-CB 4.49Å; L821-L830 HydrophobicContact CG-CD1 4.39Å; L821-L830 WeakPolarHBondContact O-CB 3.38Å; L821-L830 PolarHBondContact O-N 2.78Å; L821-N831 HydrophobicContact CB-CB 4.37Å; L821-N831 PolarHBondContact N-O 2.71Å; L821-I867 HydrophobicContact CD2-CG2 3.83Å
822F89.9Confident86.5Confident0 Ų042.4 Ų42.40%022%0.215CC..EExtended strand (participates in β ladder)trans-110.6143.9178.9-67-85000111.6I779 F784 T810 I811 V813 L820 N828 L829I779-F822 HydrophobicContact CD1-CB 4.29Å; I779-F822 HydrophobicContact CD1-CG 4.31Å; I779-F822 HydrophobicContact CG2-CD1 4.15Å; I779-F822 HydrophobicContact CG2-CE1 3.84Å; I779-F822 HydrophobicContact CG2-CE2 4.39Å; I779-F822 HydrophobicContact CG2-CZ 3.97Å; F784-F822 HydrophobicContact CD2-CE1 4.4Å; F784-F822 HydrophobicContact CD2-CZ 4.2Å; F784-F822 HydrophobicContact CE1-CE1 4.3Å; F784-F822 AromaticContact CE2-CE1 3.77Å; F784-F822 HydrophobicContact CE2-CE1 3.77Å; F784-F822 AromaticContact CE2-CZ 3.97Å; F784-F822 HydrophobicContact CE2-CZ 3.97Å; F784-F822 AromaticContact CZ-CE1 3.72Å; F784-F822 HydrophobicContact CZ-CE1 3.72Å; F784-F822 HydrophobicContact CZ-CZ 4.32Å; T810-F822 CarbonylContact C-O 3.54Å; T810-F822 WeakPolarHBondContact CA-O 3.5Å; T810-F822 WeakPolarHBondContact CB-O 3.45Å; I811-F822 HydrophobicContact CG2-CB 3.76Å; I811-F822 PolarHBondContact N-O 3.2Å; I811-F822 PolarHBondContact O-N 2.9Å; V813-F822 HydrophobicContact CB-CD2 4.47Å; V813-F822 HydrophobicContact CB-CE2 4.38Å; V813-F822 HydrophobicContact CG2-CD2 4.05Å; V813-F822 HydrophobicContact CG2-CE2 4.35Å; L820-F822 HydrophobicContact CB-CD2 4.24Å; L820-F822 HydrophobicContact CB-CE2 3.54Å; L820-F822 HydrophobicContact CB-CZ 4.15Å; L820-F822 HydrophobicContact CD1-CE2 4.21Å; L820-F822 HydrophobicContact CD1-CZ 4.31Å; F822-N828 WeakPolarHBondContact CA-O 3.44Å; F822-L829 HydrophobicContact CD1-CB 4.23Å; F822-L829 HydrophobicContact CD1-CD1 4.33Å; F822-L829 HydrophobicContact CE1-CB 3.9Å; F822-L829 HydrophobicContact CE1-CD1 3.94Å; F822-L829 HydrophobicContact CE2-CD1 4.28Å; F822-L829 HydrophobicContact CZ-CD1 3.91Å
823D89Confident86.2Confident30 Ų3043 Ų4316%0.1622%0.219CC..EExtended strand (participates in β ladder)trans-81.5128.2164.8171.719.6000109.7K825 T826 S827 N828 L830D823-K825 VanDerWaalsContact C-N 3.32Å; D823-K825 PolarHBondContact O-N 3.32Å; D823-K825 PolarHBondContact OD1-N 3.43Å; D823-T826 WeakPolarHBondContact CB-OG1 3.36Å; D823-T826 WeakPolarHBondContact OD2-CB 3.44Å; D823-T826 VanDerWaalsContact OD2-CG2 3.28Å; D823-T826 WeakPolarHBondContact OD2-CG2 3.4Å; D823-T826 PolarHBondContact OD2-N 3.35Å; D823-T826 PolarHBondContact OD2-OG1 2.88Å; D823-S827 WeakPolarHBondContact O-CA 3.34Å; D823-S827 PolarHBondContact O-N 2.87Å; D823-N828 PolarHBondContact N-O 3.28Å; D823-N828 VanDerWaalsContact N-O 3.08Å; D823-L830 HydrophobicContact CB-CD1 4Å; D823-L830 HydrophobicContact CB-CD2 4.12Å; D823-L830 HydrophobicContact CB-CG 4.05Å
824V86.5Confident85.7Confident15 Ų1545.8 Ų45.89%0.09124%0.235CC..THydrogen-bonded Turntrans-69.6-32.1-177.21740000111.4L767 K777 W804 A809 I811L767-V824 HydrophobicContact CD1-CG1 3.78Å; K777-V824 PolarHBondContact NZ-O 3.13Å; W804-V824 HydrophobicContact CE3-CG2 4.27Å; W804-V824 HydrophobicContact CH2-CG1 4.31Å; W804-V824 HydrophobicContact CH2-CG2 4.19Å; W804-V824 HydrophobicContact CZ3-CB 4.42Å; W804-V824 HydrophobicContact CZ3-CG1 4.16Å; W804-V824 HydrophobicContact CZ3-CG2 3.58Å; A809-V824 WeakPolarHBondContact O-CB 3.37Å; A809-V824 WeakPolarHBondContact O-CG2 3.41Å; A809-V824 PolarHBondContact O-N 2.97Å; I811-V824 HydrophobicContact CB-CG2 4.16Å; I811-V824 HydrophobicContact CG2-CG2 4.16Å
825K85.9Confident85Confident177 Ų17746.4 Ų46.477%0.7724%0.239SC*.THydrogen-bonded Turntrans-75.6-43.9-179-72-176.2-179.6177.40112.5K777 D823K777-K825 VanDerWaalsContact NZ-C 3.28Å; K777-K825 PolarHBondContact NZ-O 3.27Å; D823-K825 VanDerWaalsContact C-N 3.32Å; D823-K825 PolarHBondContact O-N 3.32Å; D823-K825 PolarHBondContact OD1-N 3.43Å
826T84.1Confident84.1Confident73 Ų7347.6 Ų47.645%0.44825%0.247SC..THydrogen-bonded Turntrans-94.6-19.3-177.959.20000114D823 N828D823-T826 WeakPolarHBondContact CB-OG1 3.36Å; D823-T826 WeakPolarHBondContact OD2-CB 3.44Å; D823-T826 VanDerWaalsContact OD2-CG2 3.28Å; D823-T826 WeakPolarHBondContact OD2-CG2 3.4Å; D823-T826 PolarHBondContact OD2-N 3.35Å; D823-T826 PolarHBondContact OD2-OG1 2.88Å; T826-N828 PolarHBondContact O-N 2.87Å; T826-N828 PolarHBondContact OG1-N 3.45Å
827S83.5Confident83.1Confident30 Ų3051 Ų5121%0.2126%0.264CS..  trans61.514.9-171-58.60000114.3K777 D823K777-S827 WeakPolarHBondContact CD-OG 3.39Å; K777-S827 PolarHBondContact NZ-OG 3.29Å; D823-S827 WeakPolarHBondContact O-CA 3.34Å; D823-S827 PolarHBondContact O-N 2.87Å
828N85.7Confident82Confident102 Ų10258.4 Ų58.455%0.54530%0.297SS..  trans-84.5146.9177-68.7-25.6000110.9F822 D823 T826 L830F822-N828 WeakPolarHBondContact CA-O 3.44Å; D823-N828 PolarHBondContact N-O 3.28Å; D823-N828 VanDerWaalsContact N-O 3.08Å; T826-N828 PolarHBondContact O-N 2.87Å; T826-N828 PolarHBondContact OG1-N 3.45Å; N828-L830 PolarHBondContact O-N 3.41Å
829L87.1Confident81.2Confident53 Ų5357 Ų5728%0.27729%0.292SS..EExtended strand (participates in β ladder)trans-69.8120169.1-177.369.3000108.8F784 L820 F822 N831F784-L829 HydrophobicContact CD1-CB 4.35Å; F784-L829 HydrophobicContact CD1-CD2 4.03Å; F784-L829 HydrophobicContact CE1-CB 3.92Å; F784-L829 HydrophobicContact CE1-CD2 4.43Å; L820-L829 HydrophobicContact CB-CD1 3.89Å; L820-L829 HydrophobicContact CD2-CD1 3.9Å; L820-L829 HydrophobicContact CD2-CD2 4.47Å; L820-L829 HydrophobicContact CG-CD1 4.46Å; F822-L829 HydrophobicContact CD1-CB 4.23Å; F822-L829 HydrophobicContact CD1-CD1 4.33Å; F822-L829 HydrophobicContact CE1-CB 3.9Å; F822-L829 HydrophobicContact CE1-CD1 3.94Å; F822-L829 HydrophobicContact CE2-CD1 4.28Å; F822-L829 HydrophobicContact CZ-CD1 3.91Å; L829-N831 WeakPolarHBondContact CD1-O 3.37Å
830L85.2Confident80.7Confident83 Ų8359.8 Ų59.844%0.43531%0.31SS..EExtended strand (participates in β ladder)trans-84.6-53.3176.7-65.9177000110.9T810 L821 D823 N828T810-L830 HydrophobicContact CG2-CD1 3.59Å; L821-L830 HydrophobicContact CD2-CB 4.17Å; L821-L830 HydrophobicContact CD2-CD1 4.08Å; L821-L830 HydrophobicContact CG-CB 4.49Å; L821-L830 HydrophobicContact CG-CD1 4.39Å; L821-L830 WeakPolarHBondContact O-CB 3.38Å; L821-L830 PolarHBondContact O-N 2.78Å; D823-L830 HydrophobicContact CB-CD1 4Å; D823-L830 HydrophobicContact CB-CD2 4.12Å; D823-L830 HydrophobicContact CB-CG 4.05Å; N828-L830 PolarHBondContact O-N 3.41Å
831N82.6Confident80.6Confident64 Ų6459.8 Ų59.834%0.34231%0.31SS..EExtended strand (participates in β ladder)trans-144.6154.7-175.3-80-25.6000110.8L821 L829 L870L821-N831 HydrophobicContact CB-CB 4.37Å; L821-N831 PolarHBondContact N-O 2.71Å; L829-N831 WeakPolarHBondContact CD1-O 3.37Å; N831-L870 HydrophobicContact CB-CD2 4.07Å
832Q85.8Confident80.5Confident79 Ų7961.4 Ų61.437%0.36932%0.317SS..EExtended strand (participates in β ladder)trans-130.9131.4173175.9-174-41.100109.7K818 L819 L820K818-Q832 HydrophobicContact CD-CG 4.18Å; K818-Q832 VanDerWaalsContact CE-NE2 3.31Å; L819-Q832 WeakPolarHBondContact O-CA 3.43Å; L820-Q832 HydrophobicContact CD2-CB 4.13Å; L820-Q832 HydrophobicContact CD2-CG 3.82Å
833V83.6Confident80.5Confident16 Ų1662.5 Ų62.510%0.09732%0.321CS..EExtended strand (participates in β ladder)trans-118.3131.3172.7-179.90000108.9K818 L819 V835 W865 L870K818-V833 CarbonylContact C-O 3.52Å; K818-V833 VanDerWaalsContact CA-O 3.3Å; K818-V833 WeakPolarHBondContact CA-O 3.49Å; L819-V833 HydrophobicContact CB-CB 4.18Å; L819-V833 HydrophobicContact CD1-CB 4.36Å; L819-V833 PolarHBondContact N-O 2.76Å; L819-V833 PolarHBondContact O-N 3.47Å; V833-V835 HydrophobicContact CG1-CG2 4.44Å; V833-W865 HydrophobicContact CG1-CD2 4.09Å; V833-W865 HydrophobicContact CG1-CE3 3.54Å; V833-W865 HydrophobicContact CG1-CH2 3.95Å; V833-W865 HydrophobicContact CG1-CZ2 4.47Å; V833-W865 HydrophobicContact CG1-CZ3 3.46Å; V833-W865 VanDerWaalsContact CG1-CZ3 3.46Å; V833-L870 HydrophobicContact CG2-CB 4.48Å; V833-L870 HydrophobicContact CG2-CD2 3.47Å; V833-L870 VanDerWaalsContact CG2-CD2 3.47Å
834V80.9Confident80.6Confident58 Ų5861.1 Ų61.135%0.35231%0.314SS..EExtended strand (participates in β ladder)trans-97.5115.6170.2-1770000107.1K818K818-V834 HydrophobicContact CG-CG2 4.28Å
835V73.2Confident80.9Confident13 Ų1360.8 Ų60.88%0.07931%0.312CS..  trans-82.3-43.8-172.3179.70000111.2N817 L819 V833 I841 V855 L857 E863 W865N817-V835 PolarHBondContact O-N 3.27Å; N817-V835 VanDerWaalsContact O-N 3.13Å; L819-V835 HydrophobicContact CD1-CG2 3.91Å; L819-V835 HydrophobicContact CD2-CG2 4.46Å; L819-V835 HydrophobicContact CG-CG2 3.75Å; V833-V835 HydrophobicContact CG1-CG2 4.44Å; V835-I841 HydrophobicContact CB-CD1 4.24Å; V835-I841 HydrophobicContact CG2-CD1 3.84Å; V835-V855 HydrophobicContact CG1-CG1 4.43Å; V835-L857 HydrophobicContact CG1-CD1 4Å; V835-L857 HydrophobicContact CG1-CD2 3.92Å; V835-E863 WeakPolarHBondContact CG1-OE2 3.39Å; V835-W865 HydrophobicContact CB-CZ2 4.32Å; V835-W865 HydrophobicContact CG1-CZ2 4.03Å; V835-W865 HydrophobicContact CG2-CZ2 4.43Å
836S66.9Low81.1Confident26 Ų2653.4 Ų53.418%0.18228%0.28CS..  trans-159.4152.6174.171.90000111.4N817 S839N817-S836 WeakPolarHBondContact CB-O 3.42Å; N817-S836 PolarHBondContact ND2-O 3.43Å; S836-S839 WeakPolarHBondContact OG-CB 3.49Å; S836-S839 PolarHBondContact OG-N 2.76Å; S836-S839 PolarHBondContact OG-O 3.11Å; S836-S839 PolarHBondContact OG-OG 2.86Å
837H59.7Low81.3Confident156 Ų15650 Ų5072%0.72226%0.259SS*.SBendtrans-79.2-18.4179.4-69.2-73.6000114.1
838H58.6Low81Confident191 Ų19151.1 Ų51.188%0.88427%0.265SS*.SBendtrans-121.1-5.7-170-59.1-60.8000115.1
839S69.9Low80.2Confident10 Ų1049.9 Ų49.97%0.0728%0.276CS..  trans-122.1144.2-17979.70000112.9S836 H859S836-S839 WeakPolarHBondContact OG-CB 3.49Å; S836-S839 PolarHBondContact OG-N 2.76Å; S836-S839 PolarHBondContact OG-O 3.11Å; S836-S839 PolarHBondContact OG-OG 2.86Å; S839-H859 WeakPolarHBondContact CB-ND1 3.44Å; S839-H859 PolarHBondContact OG-ND1 2.05Å
840T78.5Confident79.1Confident64 Ų6452 Ų5239%0.39329%0.288SS..  trans-90.5137.5175.865.50000109.7S858T840-S858 PolarHBondContact N-OG 3.35Å; T840-S858 PolarHBondContact O-N 2.96Å; T840-S858 VanDerWaalsContact O-N 3.11Å; T840-S858 PolarHBondContact O-OG 3.07Å
841I86.4Confident78.7Confident0 Ų051.7 Ų51.70%028%0.284CS..EExtended strand (participates in β ladder)trans-71.8136171.9-58.3166.7000107.5K800 V814 K816 L819 V835 V855 L857K800-I841 WeakPolarHBondContact CD-O 3.12Å; K800-I841 WeakPolarHBondContact CE-O 3.25Å; K800-I841 PolarHBondContact NZ-O 2.83Å; V814-I841 HydrophobicContact CB-CG2 4.38Å; V814-I841 HydrophobicContact CG1-CB 3.51Å; V814-I841 HydrophobicContact CG1-CD1 4.02Å; V814-I841 HydrophobicContact CG1-CG1 4.36Å; V814-I841 HydrophobicContact CG1-CG2 3.47Å; V814-I841 VanDerWaalsContact CG1-CG2 3.47Å; V814-I841 HydrophobicContact CG2-CG2 4.01Å; K816-I841 PolarHBondContact O-N 3.08Å; L819-I841 HydrophobicContact CD2-CD1 3.8Å; L819-I841 HydrophobicContact CG-CD1 4.31Å; V835-I841 HydrophobicContact CB-CD1 4.24Å; V835-I841 HydrophobicContact CG2-CD1 3.84Å; I841-V855 HydrophobicContact CB-CG1 4.16Å; I841-V855 HydrophobicContact CD1-CG1 4Å; I841-V855 HydrophobicContact CG1-CG1 3.73Å; I841-V855 HydrophobicContact CG2-CG1 3.44Å; I841-V855 VanDerWaalsContact CG2-CG1 3.44Å; I841-L857 HydrophobicContact CB-CD2 4.37Å; I841-L857 HydrophobicContact CG1-CD2 3.72Å
842Q86.7Confident79Confident49 Ų4949.5 Ų49.523%0.22927%0.272CS..EExtended strand (participates in β ladder)trans-97.8-47.1176.1-64.1-61.5-3.900111.4A856Q842-A856 PolarHBondContact N-O 2.81Å
843Y90.4Very high79.2Confident24 Ų2445.7 Ų45.79%0.09426%0.255CS..EExtended strand (participates in β ladder)trans-146.7161.7-177.8-160-92.9000111H746 C801 A856 H884 V886H746-Y843 AromaticContact CD2-CE2 3.78Å; H746-Y843 AromaticContact NE2-CE2 3.62Å; H746-Y843 AromaticContact NE2-CZ 3.65Å; H746-Y843 PolarHBondContact NE2-OH 2.89Å; C801-Y843 HydrophobicContact CB-CD2 4.25Å; C801-Y843 HydrophobicContact CB-CE2 4.4Å; Y843-A856 PolarHBondContact O-N 2.81Å; Y843-H884 WeakPolarHBondContact CB-O 3.21Å; Y843-V886 HydrophobicContact CD1-CG1 4.13Å; Y843-V886 WeakPolarHBondContact CD1-O 3.37Å; Y843-V886 WeakPolarHBondContact CE1-O 3.39Å
844C92.1Very high79.5Confident1 Ų145 Ų451%0.00725%0.25CS..EExtended strand (participates in β ladder)trans-148.1143.4-176.458.90000110.5C801 V814 A854C801-C844 WeakPolarHBondContact CB-SG 3.34Å; C801-C844 WeakPolarHBondContact SG-CB 3.39Å; C801-C844 PolarHBondContact SG-N 3.16Å; C801-C844 CovalentContact SG-SG 2.08Å; C801-C844 PolarHBondContact SG-SG 3.21Å; V814-C844 HydrophobicContact CG2-CB 3.57Å; V814-C844 WeakPolarHBondContact CG2-SG 3.33Å; C844-A854 VanDerWaalsContact CA-O 3.32Å; C844-A854 WeakPolarHBondContact CA-O 3.49Å
845D92.1Very high79.9Confident7 Ų742.2 Ų42.24%0.03723%0.233CC..EExtended strand (participates in β ladder)trans-144.4150.9168.6-160.628.3000112.8K748 S803 V853 A854 V886 M887 F888K748-D845 IonicContact NZ-OD1 3.35Å; K748-D845 PolarHBondContact NZ-OD1 3.16Å; S803-D845 PolarHBondContact OG-OD1 3.26Å; D845-V853 WeakPolarHBondContact O-CA 2.92Å; D845-A854 PolarHBondContact N-O 3.08Å; D845-A854 PolarHBondContact O-N 3.47Å; D845-V886 WeakPolarHBondContact CB-O 3.5Å; D845-M887 WeakPolarHBondContact OD2-CA 3.49Å; D845-M887 VanDerWaalsContact OD2-CG 3.27Å; D845-M887 WeakPolarHBondContact OD2-CG 3.35Å; D845-F888 HydrophobicContact CB-CD2 4.31Å; D845-F888 PolarHBondContact OD2-N 3.19Å
846F89.9Confident80.6Confident23 Ų2341.6 Ų41.610%0.10123%0.23CC..EExtended strand (participates in β ladder)trans-100.4131.3-175.7-154.5-68.7000108.9L812 V853 I867L812-F846 HydrophobicContact CB-CD2 4.31Å; L812-F846 HydrophobicContact CD2-CD2 4.47Å; F846-V853 HydrophobicContact CD2-CG2 4Å; F846-V853 HydrophobicContact CE2-CG2 4.26Å; F846-V853 HydrophobicContact CG-CG2 4.47Å; F846-I867 HydrophobicContact CD2-CD1 3.91Å; F846-I867 HydrophobicContact CE1-CD1 4.45Å; F846-I867 HydrophobicContact CE2-CD1 3.08Å; F846-I867 HydrophobicContact CZ-CD1 3.39Å
847C87.8Confident81.4Confident1 Ų140.3 Ų40.31%0.00722%0.221CC..  trans-70.6130.7178.8-172.80000111.3G849 D850 L852 F888 G892C847-G849 PolarHBondContact O-N 2.98Å; C847-G849 VanDerWaalsContact O-N 3.09Å; C847-D850 HydrophobicContact CB-CB 4.46Å; C847-D850 VanDerWaalsContact O-O 3.07Å; C847-L852 HydrophobicContact CB-CB 3.92Å; C847-L852 VanDerWaalsContact CB-O 3.26Å; C847-L852 WeakPolarHBondContact CB-O 3.48Å; C847-L852 PolarHBondContact N-O 3.27Å; C847-F888 HydrophobicContact CB-CD1 4.11Å; C847-F888 HydrophobicContact CB-CD2 4.04Å; C847-F888 HydrophobicContact CB-CE1 4Å; C847-F888 HydrophobicContact CB-CE2 3.89Å; C847-F888 HydrophobicContact CB-CG 4.14Å; C847-F888 HydrophobicContact CB-CZ 3.88Å; C847-G892 WeakPolarHBondContact SG-CA 3.4Å
848P77.4Confident82Confident54 Ų5434.2 Ų34.235%0.35120%0.196SC..SBendtrans-67.2107.6173.3-20.333.1000111.3P890P848-P890 VanDerWaalsContact CB-O 3.3Å; P848-P890 WeakPolarHBondContact CB-O 3.39Å; P848-P890 WeakPolarHBondContact CG-O 3.38Å
849G68.9Low82.5Confident75 Ų7528.6 Ų28.677%0.77317%0.17SC*.SBendtrans101.7-34.6171.100000115.3C847C847-G849 PolarHBondContact O-N 2.98Å; C847-G849 VanDerWaalsContact O-N 3.09Å
850D63.5Low82.6Confident98 Ų9829.7 Ų29.752%0.52418%0.177SC..SBendtrans-97.8142.1171.5-73-27.5000110C847 L852C847-D850 HydrophobicContact CB-CB 4.46Å; C847-D850 VanDerWaalsContact O-O 3.07Å; D850-L852 HydrophobicContact CB-CB 4.46Å; D850-L852 HydrophobicContact CB-CD1 4.12Å; D850-L852 HydrophobicContact CB-CG 4.16Å; D850-L852 PolarHBondContact O-N 2.81Å
851E78.8Confident82.5Confident76 Ų7626.7 Ų26.736%0.35516%0.159SC..SBendtrans-77.133.9179.7-68.4165.7154.500113.1I867 K868E851-I867 PolarHBondContact O-N 3.25Å; E851-K868 WeakPolarHBondContact OE1-CE 3.07Å; E851-K868 IonicContact OE1-NZ 3.04Å; E851-K868 PolarHBondContact OE1-NZ 3.38Å; E851-K868 WeakPolarHBondContact OE2-CD 3.41Å; E851-K868 WeakPolarHBondContact OE2-CE 3.5Å; E851-K868 WeakPolarHBondContact OE2-CG 3.44Å; E851-K868 IonicContact OE2-NZ 2.68Å; E851-K868 PolarHBondContact OE2-NZ 2.8Å
852L87.8Confident82.4Confident18 Ų1826.7 Ų26.79%0.09416%0.159CC..EExtended strand (participates in β ladder)trans-90.4141.7177-67.2172.8000110.2C847 D850 W865 N866 V873 T909C847-L852 HydrophobicContact CB-CB 3.92Å; C847-L852 VanDerWaalsContact CB-O 3.26Å; C847-L852 WeakPolarHBondContact CB-O 3.48Å; C847-L852 PolarHBondContact N-O 3.27Å; D850-L852 HydrophobicContact CB-CB 4.46Å; D850-L852 HydrophobicContact CB-CD1 4.12Å; D850-L852 HydrophobicContact CB-CG 4.16Å; D850-L852 PolarHBondContact O-N 2.81Å; L852-W865 CarbonylContact C-O 3.59Å; L852-W865 VanDerWaalsContact CA-O 3.3Å; L852-W865 WeakPolarHBondContact CA-O 3.41Å; L852-N866 HydrophobicContact CD2-CB 4.2Å; L852-V873 HydrophobicContact CD2-CB 4.33Å; L852-V873 HydrophobicContact CD2-CG1 4.41Å; L852-V873 HydrophobicContact CD2-CG2 3.88Å; L852-T909 HydrophobicContact CD1-CG2 4.05Å
853V89.3Confident82.4Confident0 Ų024.9 Ų24.90%015%0.15CC..EExtended strand (participates in β ladder)trans-124.4132.1173.3173.60000108.4L812 L819 D845 F846 V855 L864 W865 I867L812-V853 HydrophobicContact CD2-CB 4.29Å; L812-V853 HydrophobicContact CD2-CG1 3.47Å; L812-V853 VanDerWaalsContact CD2-CG1 3.47Å; L812-V853 HydrophobicContact CD2-CG2 3.75Å; L819-V853 HydrophobicContact CD1-CG1 4.36Å; D845-V853 WeakPolarHBondContact O-CA 2.92Å; F846-V853 HydrophobicContact CD2-CG2 4Å; F846-V853 HydrophobicContact CE2-CG2 4.26Å; F846-V853 HydrophobicContact CG-CG2 4.47Å; V853-V855 HydrophobicContact CG1-CG2 3.83Å; V853-L864 CarbonylContact O-C 3.55Å; V853-L864 VanDerWaalsContact O-CA 3.31Å; V853-L864 WeakPolarHBondContact O-CA 3.39Å; V853-W865 PolarHBondContact N-O 2.88Å; V853-W865 PolarHBondContact O-N 3Å; V853-I867 HydrophobicContact CB-CD1 4.5Å; V853-I867 HydrophobicContact CG2-CD1 3.15Å; V853-I867 HydrophobicContact CG2-CG1 3.52Å
854A90.1Very high82.2Confident0 Ų023.7 Ų23.70%015%0.146CC..EExtended strand (participates in β ladder)trans-95.9134.5168.600000109.8C844 D845 V862 E863 L864 V886 F888C844-A854 VanDerWaalsContact CA-O 3.32Å; C844-A854 WeakPolarHBondContact CA-O 3.49Å; D845-A854 PolarHBondContact N-O 3.08Å; D845-A854 PolarHBondContact O-N 3.47Å; A854-V862 HydrophobicContact CB-CG1 4.45Å; A854-E863 CarbonylContact C-O 3.55Å; A854-E863 WeakPolarHBondContact CA-O 3.39Å; A854-L864 HydrophobicContact CB-CD2 3.49Å; A854-L864 VanDerWaalsContact CB-CD2 3.49Å; A854-V886 HydrophobicContact CB-CB 4.48Å; A854-V886 HydrophobicContact CB-CG1 4.09Å; A854-V886 HydrophobicContact CB-CG2 3.55Å; A854-F888 HydrophobicContact CB-CD2 4.42Å; A854-F888 HydrophobicContact CB-CE2 3.48Å; A854-F888 VanDerWaalsContact CB-CE2 3.48Å; A854-F888 HydrophobicContact CB-CZ 3.73Å
855V89.8Confident81.9Confident0 Ų025 Ų250%015%0.15CC..EExtended strand (participates in β ladder)trans-126.9117.3-176.2-1730000108.7L819 V835 I841 V853 L857 V862 E863L819-V855 HydrophobicContact CD1-CG2 3.84Å; L819-V855 HydrophobicContact CD2-CG2 4.11Å; L819-V855 HydrophobicContact CG-CG2 4.5Å; V835-V855 HydrophobicContact CG1-CG1 4.43Å; I841-V855 HydrophobicContact CB-CG1 4.16Å; I841-V855 HydrophobicContact CD1-CG1 4Å; I841-V855 HydrophobicContact CG1-CG1 3.73Å; I841-V855 HydrophobicContact CG2-CG1 3.44Å; I841-V855 VanDerWaalsContact CG2-CG1 3.44Å; V853-V855 HydrophobicContact CG1-CG2 3.83Å; V855-L857 HydrophobicContact CG1-CD2 3.82Å; V855-L857 HydrophobicContact CG1-CG 4.4Å; V855-V862 CarbonylContact O-C 3.56Å; V855-V862 VanDerWaalsContact O-CA 3.28Å; V855-V862 WeakPolarHBondContact O-CA 3.43Å; V855-E863 PolarHBondContact N-O 3.42Å; V855-E863 PolarHBondContact O-N 3.37Å
856A88.4Confident81.5Confident0 Ų026.9 Ų26.90%016%0.16CC..EExtended strand (participates in β ladder)trans-86.2126.4173.400000110Q842 Y843 V862 V883 V886Q842-A856 PolarHBondContact N-O 2.81Å; Y843-A856 PolarHBondContact O-N 2.81Å; A856-V862 HydrophobicContact CB-CG2 4.44Å; A856-V883 HydrophobicContact CB-CB 4Å; A856-V883 HydrophobicContact CB-CG1 3.81Å; A856-V886 HydrophobicContact CB-CB 4.4Å; A856-V886 HydrophobicContact CB-CG1 3.96Å
857L82.7Confident81.1Confident0 Ų026.6 Ų26.60%016%0.16CC..EExtended strand (participates in β ladder)trans-110.7157.1-175.6-61177.6000111.9V835 I841 V855 H859 S861 E863V835-L857 HydrophobicContact CG1-CD1 4Å; V835-L857 HydrophobicContact CG1-CD2 3.92Å; I841-L857 HydrophobicContact CB-CD2 4.37Å; I841-L857 HydrophobicContact CG1-CD2 3.72Å; V855-L857 HydrophobicContact CG1-CD2 3.82Å; V855-L857 HydrophobicContact CG1-CG 4.4Å; L857-H859 WeakPolarHBondContact CD1-CE1 3.49Å; L857-H859 PolarHBondContact O-N 3.33Å; L857-S861 PolarHBondContact N-O 2.83Å; L857-E863 HydrophobicContact CD1-CB 4.5Å; L857-E863 VanDerWaalsContact CD1-CD 3.42Å; L857-E863 HydrophobicContact CD1-CG 3.62Å
858S72.5Confident80.7Confident27 Ų2733.8 Ų33.819%0.18919%0.191CC..THydrogen-bonded Turntrans-70-6.1179.861.90000115T840 W882T840-S858 PolarHBondContact N-OG 3.35Å; T840-S858 PolarHBondContact O-N 2.96Å; T840-S858 VanDerWaalsContact O-N 3.11Å; T840-S858 PolarHBondContact O-OG 3.07Å; S858-W882 PolarHBondContact O-NE1 3.28Å; S858-W882 VanDerWaalsContact O-NE1 3.15Å
859H70Confident80.5Confident73 Ų7334.2 Ų34.234%0.33820%0.195SC..THydrogen-bonded Turntrans-10535.4179.467.6-85.4000112.5S839 L857 S861S839-H859 WeakPolarHBondContact CB-ND1 3.44Å; S839-H859 PolarHBondContact OG-ND1 2.05Å; L857-H859 WeakPolarHBondContact CD1-CE1 3.49Å; L857-H859 PolarHBondContact O-N 3.33Å; H859-S861 PolarHBondContact CD2-OG 2.69Å; H859-S861 PolarHBondContact CE1-OG 2.74Å; H859-S861 PolarHBondContact NE2-OG 3.04Å; H859-S861 PolarHBondContact O-N 3.43Å
860C71.9Confident80.8Confident34 Ų3434.1 Ų34.123%0.2318%0.177CC..SBendtrans65.219.2173.4-39.60000114.5H879 S881C860-H879 WeakPolarHBondContact CB-O 3.45Å; C860-S881 WeakPolarHBondContact CA-O 3.47Å; C860-S881 VanDerWaalsContact CB-O 3.27Å; C860-S881 WeakPolarHBondContact CB-O 3.17Å; C860-S881 WeakPolarHBondContact SG-CA 3.3Å; C860-S881 PolarHBondContact SG-O 2.99Å; C860-S881 VanDerWaalsContact SG-O 3.38Å
861S75.8Confident81.3Confident1 Ų132 Ų321%0.00717%0.17CC..EExtended strand (participates in β ladder)trans-117.8155.3-179.666.30000111.7L857 H859L857-S861 PolarHBondContact N-O 2.83Å; H859-S861 PolarHBondContact CD2-OG 2.69Å; H859-S861 PolarHBondContact CE1-OG 2.74Å; H859-S861 PolarHBondContact NE2-OG 3.04Å; H859-S861 PolarHBondContact O-N 3.43Å
862V84.6Confident81.2Confident0 Ų032.3 Ų32.30%017%0.17CC..EExtended strand (participates in β ladder)trans-124.2123.9171.6176.20000108.5A854 V855 A856 C876 V883 V886 F895 T897A854-V862 HydrophobicContact CB-CG1 4.45Å; V855-V862 CarbonylContact O-C 3.56Å; V855-V862 VanDerWaalsContact O-CA 3.28Å; V855-V862 WeakPolarHBondContact O-CA 3.43Å; A856-V862 HydrophobicContact CB-CG2 4.44Å; V862-C876 HydrophobicContact CB-CB 4.06Å; V862-C876 PolarHBondContact N-O 2.94Å; V862-C876 WeakPolarHBondContact O-CA 3.25Å; V862-C876 VanDerWaalsContact O-CB 3.28Å; V862-C876 WeakPolarHBondContact O-CB 3.44Å; V862-C876 PolarHBondContact O-N 3.33Å; V862-V883 HydrophobicContact CG2-CB 4.14Å; V862-V883 HydrophobicContact CG2-CG1 3.73Å; V862-V883 HydrophobicContact CG2-CG2 3.97Å; V862-V886 HydrophobicContact CG1-CB 4.45Å; V862-V886 HydrophobicContact CG1-CG2 4Å; V862-F895 HydrophobicContact CG1-CE2 4.45Å; V862-T897 HydrophobicContact CB-CG2 4.36Å; V862-T897 HydrophobicContact CG1-CG2 4.26Å; V862-T897 HydrophobicContact CG2-CG2 3.77Å
863E85.9Confident80.7Confident10 Ų1033.4 Ų33.45%0.04718%0.177CC..EExtended strand (participates in β ladder)trans-104.7139179.8-61.9-171.9163.200111.2V835 A854 V855 L857 W865 K872 A874V835-E863 WeakPolarHBondContact CG1-OE2 3.39Å; A854-E863 CarbonylContact C-O 3.55Å; A854-E863 WeakPolarHBondContact CA-O 3.39Å; V855-E863 PolarHBondContact N-O 3.42Å; V855-E863 PolarHBondContact O-N 3.37Å; L857-E863 HydrophobicContact CD1-CB 4.5Å; L857-E863 VanDerWaalsContact CD1-CD 3.42Å; L857-E863 HydrophobicContact CD1-CG 3.62Å; E863-W865 PolarHBondContact OE2-NE1 3.09Å; E863-K872 VanDerWaalsContact CD-NZ 3.26Å; E863-K872 HydrophobicContact CG-CD 4.43Å; E863-K872 IonicContact OE1-NZ 2.63Å; E863-K872 PolarHBondContact OE1-NZ 3.17Å; E863-K872 IonicContact OE2-NZ 3.31Å; E863-A874 WeakPolarHBondContact CA-O 3.39Å
864L86.6Confident79.8Confident0 Ų033.5 Ų33.50%018%0.178CC..EExtended strand (participates in β ladder)trans-100.9127.9169.2-56.6-176.5000109.5V853 A854 V873 A874 F888 F895 V912V853-L864 CarbonylContact O-C 3.55Å; V853-L864 VanDerWaalsContact O-CA 3.31Å; V853-L864 WeakPolarHBondContact O-CA 3.39Å; A854-L864 HydrophobicContact CB-CD2 3.49Å; A854-L864 VanDerWaalsContact CB-CD2 3.49Å; L864-V873 PolarHBondContact O-N 3.01Å; L864-A874 HydrophobicContact CB-CB 3.82Å; L864-A874 HydrophobicContact CD1-CB 3.89Å; L864-A874 HydrophobicContact CG-CB 3.97Å; L864-A874 PolarHBondContact N-O 3.16Å; L864-A874 PolarHBondContact O-N 3.27Å; L864-A874 VanDerWaalsContact O-N 3.11Å; L864-F888 HydrophobicContact CD2-CZ 4.09Å; L864-F895 HydrophobicContact CD1-CE1 3.96Å; L864-F895 HydrophobicContact CD1-CZ 4.31Å; L864-F895 HydrophobicContact CD2-CE1 4.43Å; L864-F895 HydrophobicContact CD2-CZ 4.43Å; L864-V912 HydrophobicContact CD1-CG1 3.78Å
865W85.4Confident79Confident28 Ų2834.7 Ų34.711%0.10618%0.184CC..EExtended strand (participates in β ladder)trans-120.4140.8-178.3-75.580.3000110.8V833 V835 L852 V853 E863 S871 K872V833-W865 HydrophobicContact CG1-CD2 4.09Å; V833-W865 HydrophobicContact CG1-CE3 3.54Å; V833-W865 HydrophobicContact CG1-CH2 3.95Å; V833-W865 HydrophobicContact CG1-CZ2 4.47Å; V833-W865 HydrophobicContact CG1-CZ3 3.46Å; V833-W865 VanDerWaalsContact CG1-CZ3 3.46Å; V835-W865 HydrophobicContact CB-CZ2 4.32Å; V835-W865 HydrophobicContact CG1-CZ2 4.03Å; V835-W865 HydrophobicContact CG2-CZ2 4.43Å; L852-W865 CarbonylContact C-O 3.59Å; L852-W865 VanDerWaalsContact CA-O 3.3Å; L852-W865 WeakPolarHBondContact CA-O 3.41Å; V853-W865 PolarHBondContact N-O 2.88Å; V853-W865 PolarHBondContact O-N 3Å; E863-W865 PolarHBondContact OE2-NE1 3.09Å; W865-S871 VanDerWaalsContact CE3-C 3.47Å; W865-K872 HydrophobicContact CD2-CB 4.18Å; W865-K872 HydrophobicContact CE3-CB 4.24Å; W865-K872 HydrophobicContact CH2-CB 4.08Å; W865-K872 HydrophobicContact CZ2-CB 3.97Å; W865-K872 HydrophobicContact CZ2-CD 4.44Å; W865-K872 HydrophobicContact CZ2-CG 4.45Å; W865-K872 HydrophobicContact CZ3-CB 4.2Å
866N84.6Confident78.2Confident46 Ų4634.8 Ų34.825%0.24619%0.185CC..EExtended strand (participates in β ladder)trans-97.1119.4169.2179.8-31000109L852 K868 S869 L870 S871 V873L852-N866 HydrophobicContact CD2-CB 4.2Å; N866-K868 PolarHBondContact OD1-N 2.94Å; N866-S869 VanDerWaalsContact CB-OG 3.3Å; N866-S869 WeakPolarHBondContact CB-OG 3.44Å; N866-S869 VanDerWaalsContact CG-OG 3.3Å; N866-S869 PolarHBondContact OD1-N 3.28Å; N866-L870 WeakPolarHBondContact O-CA 3.27Å; N866-L870 PolarHBondContact O-N 2.92Å; N866-S871 PolarHBondContact N-O 3.1Å; N866-S871 PolarHBondContact O-N 3.13Å; N866-V873 HydrophobicContact CB-CG2 3.51Å
867I81.3Confident77.1Confident17 Ų1739 Ų399%0.08720%0.201CC..THydrogen-bonded Turntrans-72.2-30.3-174.3-63.1162.6000112.3L821 F846 E851 V853 L870L821-I867 HydrophobicContact CD2-CG2 3.83Å; F846-I867 HydrophobicContact CD2-CD1 3.91Å; F846-I867 HydrophobicContact CE1-CD1 4.45Å; F846-I867 HydrophobicContact CE2-CD1 3.08Å; F846-I867 HydrophobicContact CZ-CD1 3.39Å; E851-I867 PolarHBondContact O-N 3.25Å; V853-I867 HydrophobicContact CB-CD1 4.5Å; V853-I867 HydrophobicContact CG2-CD1 3.15Å; V853-I867 HydrophobicContact CG2-CG1 3.52Å; I867-L870 VanDerWaalsContact O-CD2 3.23Å; I867-L870 WeakPolarHBondContact O-CD2 3.48Å
868K79.1Confident76.1Confident153 Ų15339.7 Ų39.767%0.66521%0.208SC*.THydrogen-bonded Turntrans-72.1-44.1178.9-93.4-164.2-171.2127.90112.1E851 N866 L870E851-K868 WeakPolarHBondContact OE1-CE 3.07Å; E851-K868 IonicContact OE1-NZ 3.04Å; E851-K868 PolarHBondContact OE1-NZ 3.38Å; E851-K868 WeakPolarHBondContact OE2-CD 3.41Å; E851-K868 WeakPolarHBondContact OE2-CE 3.5Å; E851-K868 WeakPolarHBondContact OE2-CG 3.44Å; E851-K868 IonicContact OE2-NZ 2.68Å; E851-K868 PolarHBondContact OE2-NZ 2.8Å; N866-K868 PolarHBondContact OD1-N 2.94Å; K868-L870 VanDerWaalsContact C-N 3.33Å
869S72.9Confident75.7Confident63 Ų6338.8 Ų38.844%0.44120%0.201SC..THydrogen-bonded Turntrans-83.3-12.2178.960.60000113.1N866 S871N866-S869 VanDerWaalsContact CB-OG 3.3Å; N866-S869 WeakPolarHBondContact CB-OG 3.44Å; N866-S869 VanDerWaalsContact CG-OG 3.3Å; N866-S869 PolarHBondContact OD1-N 3.28Å; S869-S871 WeakPolarHBondContact CB-OG 3.27Å; S869-S871 PolarHBondContact O-N 2.98Å; S869-S871 PolarHBondContact OG-OG 3.48Å
870L76.6Confident75.1Confident73 Ų7338.3 Ų38.338%0.38220%0.199SC..THydrogen-bonded Turntrans53.231.4-173.5-56.8171.2000112.3N831 V833 N866 I867 K868N831-L870 HydrophobicContact CB-CD2 4.07Å; V833-L870 HydrophobicContact CG2-CB 4.48Å; V833-L870 HydrophobicContact CG2-CD2 3.47Å; V833-L870 VanDerWaalsContact CG2-CD2 3.47Å; N866-L870 WeakPolarHBondContact O-CA 3.27Å; N866-L870 PolarHBondContact O-N 2.92Å; I867-L870 VanDerWaalsContact O-CD2 3.23Å; I867-L870 WeakPolarHBondContact O-CD2 3.48Å; K868-L870 VanDerWaalsContact C-N 3.33Å
871S73.4Confident74.8Confident54 Ų5438 Ų3838%0.37820%0.197SC..EExtended strand (participates in β ladder)trans-120.3145.3-176.7690000111.2W865 N866 S869 V873W865-S871 VanDerWaalsContact CE3-C 3.47Å; N866-S871 PolarHBondContact N-O 3.1Å; N866-S871 PolarHBondContact O-N 3.13Å; S869-S871 WeakPolarHBondContact CB-OG 3.27Å; S869-S871 PolarHBondContact O-N 2.98Å; S869-S871 PolarHBondContact OG-OG 3.48Å; S871-V873 PolarHBondContact O-N 3.13Å
872K77Confident74.9Confident81 Ų8144.5 Ų44.535%0.35222%0.222SC..EExtended strand (participates in β ladder)trans-66131.3169.9-175.3173.1172.9176.60108.8E863 W865 A874 D875E863-K872 VanDerWaalsContact CD-NZ 3.26Å; E863-K872 HydrophobicContact CG-CD 4.43Å; E863-K872 IonicContact OE1-NZ 2.63Å; E863-K872 PolarHBondContact OE1-NZ 3.17Å; E863-K872 IonicContact OE2-NZ 3.31Å; W865-K872 HydrophobicContact CD2-CB 4.18Å; W865-K872 HydrophobicContact CE3-CB 4.24Å; W865-K872 HydrophobicContact CH2-CB 4.08Å; W865-K872 HydrophobicContact CZ2-CB 3.97Å; W865-K872 HydrophobicContact CZ2-CD 4.44Å; W865-K872 HydrophobicContact CZ2-CG 4.45Å; W865-K872 HydrophobicContact CZ3-CB 4.2Å; K872-A874 WeakPolarHBondContact CE-O 3.41Å; K872-D875 IonicContact NZ-OD2 3.89Å; K872-D875 PolarHBondContact NZ-OD2 2.67Å
873V75.8Confident74.9Confident41 Ų4144.5 Ų44.525%0.24822%0.222CC..EExtended strand (participates in β ladder)trans-102.5-41.1179.3179.90000110.6L852 L864 N866 S871 C913 S916L852-V873 HydrophobicContact CD2-CB 4.33Å; L852-V873 HydrophobicContact CD2-CG1 4.41Å; L852-V873 HydrophobicContact CD2-CG2 3.88Å; L864-V873 PolarHBondContact O-N 3.01Å; N866-V873 HydrophobicContact CB-CG2 3.51Å; S871-V873 PolarHBondContact O-N 3.13Å; V873-C913 HydrophobicContact CG1-CB 4.15Å; V873-S916 PolarHBondContact O-OG 3.03Å
874A71.4Confident75Confident3 Ų346.3 Ų46.33%0.02523%0.23CC..EExtended strand (participates in β ladder)trans-145.9157.3-178.500000113.8E863 L864 K872 V912 S916E863-A874 WeakPolarHBondContact CA-O 3.39Å; L864-A874 HydrophobicContact CB-CB 3.82Å; L864-A874 HydrophobicContact CD1-CB 3.89Å; L864-A874 HydrophobicContact CG-CB 3.97Å; L864-A874 PolarHBondContact N-O 3.16Å; L864-A874 PolarHBondContact O-N 3.27Å; L864-A874 VanDerWaalsContact O-N 3.11Å; K872-A874 WeakPolarHBondContact CE-O 3.41Å; A874-V912 HydrophobicContact CB-CG1 3.63Å; A874-S916 VanDerWaalsContact CA-CB 3.48Å; A874-S916 WeakPolarHBondContact CA-OG 3.46Å; A874-S916 VanDerWaalsContact CB-CB 3.45Å; A874-S916 WeakPolarHBondContact CB-OG 3.16Å
875D73.3Confident75.2Confident25 Ų2546.3 Ų46.313%0.13423%0.23CC..EExtended strand (participates in β ladder)trans-125.3117.3167.6-160.2-21000108.6K872 R877K872-D875 IonicContact NZ-OD2 3.89Å; K872-D875 PolarHBondContact NZ-OD2 2.67Å; D875-R877 VanDerWaalsContact CG-NE 3.26Å; D875-R877 WeakPolarHBondContact OD1-CG 3.41Å; D875-R877 IonicContact OD1-NE 3.44Å; D875-R877 PolarHBondContact OD1-NE 3.35Å; D875-R877 IonicContact OD2-CZ 3.83Å; D875-R877 VanDerWaalsContact OD2-CZ 3.29Å; D875-R877 IonicContact OD2-NE 3.23Å; D875-R877 PolarHBondContact OD2-NE 3.22Å; D875-R877 IonicContact OD2-NH2 2.7Å; D875-R877 PolarHBondContact OD2-NH2 3.14Å
876C72.7Confident75.6Confident1 Ų145 Ų451%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-103.5103.8-177.3-49.30000107.5V862 F895 W907 V912V862-C876 HydrophobicContact CB-CB 4.06Å; V862-C876 PolarHBondContact N-O 2.94Å; V862-C876 WeakPolarHBondContact O-CA 3.25Å; V862-C876 VanDerWaalsContact O-CB 3.28Å; V862-C876 WeakPolarHBondContact O-CB 3.44Å; V862-C876 PolarHBondContact O-N 3.33Å; C876-F895 HydrophobicContact CB-CZ 4.33Å; C876-F895 WeakPolarHBondContact SG-CZ 3.15Å; C876-W907 HydrophobicContact CB-CD2 4.48Å; C876-W907 HydrophobicContact CB-CE3 4.27Å; C876-W907 HydrophobicContact CB-CH2 4.32Å; C876-W907 HydrophobicContact CB-CZ3 4.16Å; C876-V912 WeakPolarHBondContact SG-CG1 3.38Å
877R64.7Low76Confident90 Ų9044.2 Ų44.234%0.3422%0.22SC..EExtended strand (participates in β ladder)trans-115142.8-179.4-59.8-173.2-178.8-128.95.1110.5D875 W907 L1240D875-R877 VanDerWaalsContact CG-NE 3.26Å; D875-R877 WeakPolarHBondContact OD1-CG 3.41Å; D875-R877 IonicContact OD1-NE 3.44Å; D875-R877 PolarHBondContact OD1-NE 3.35Å; D875-R877 IonicContact OD2-CZ 3.83Å; D875-R877 VanDerWaalsContact OD2-CZ 3.29Å; D875-R877 IonicContact OD2-NE 3.23Å; D875-R877 PolarHBondContact OD2-NE 3.22Å; D875-R877 IonicContact OD2-NH2 2.7Å; D875-R877 PolarHBondContact OD2-NH2 3.14Å; R877-W907 WeakPolarHBondContact O-CH2 3.45Å; R877-L1240 VanDerWaalsContact CZ-CD2 3.44Å
878G62.2Low76.5Confident14 Ų1443.7 Ų43.714%0.14422%0.218CC..  trans157.2-18.8-176.100000112.8M880 R905G878-M880 WeakPolarHBondContact O-CE 3.41Å; G878-R905 VanDerWaalsContact C-CZ 3.47Å; G878-R905 PolarHBondContact O-NE 3.5Å; G878-R905 VanDerWaalsContact O-NE 3.11Å; G878-R905 PolarHBondContact O-NH2 2.95Å
879H64.7Low77.1Confident8 Ų836.4 Ų36.44%0.03719%0.186CC..  trans-75.6144169.5-75.2-61.9000111.4C860 V883 T897 S899 D901 T903C860-H879 WeakPolarHBondContact CB-O 3.45Å; H879-V883 HydrophobicContact CB-CG2 3.7Å; H879-T897 VanDerWaalsContact NE2-CB 3.26Å; H879-T897 WeakPolarHBondContact NE2-CB 3.26Å; H879-T897 PolarHBondContact NE2-OG1 2.87Å; H879-S899 WeakPolarHBondContact ND1-CB 3.19Å; H879-D901 WeakPolarHBondContact CA-OD2 3.39Å; H879-D901 IonicContact CG-OD2 3.56Å; H879-D901 IonicContact ND1-OD1 3.58Å; H879-D901 IonicContact ND1-OD2 2.84Å; H879-D901 PolarHBondContact ND1-OD2 2.98Å; H879-T903 PolarHBondContact CE1-OG1 3.08Å; H879-T903 VanDerWaalsContact CE1-OG1 3.25Å; H879-T903 PolarHBondContact ND1-OG1 2.83Å
880M57.8Low77.7Confident62 Ų6236.4 Ų36.431%0.30518%0.184SC..SBendtrans-104-5.9-174.7-61.1-63.1128.400113L550 G878 D901L550-M880 HydrophobicContact CB-SD 4.29Å; L550-M880 HydrophobicContact CD2-CE 3.14Å; L550-M880 HydrophobicContact CD2-CG 3.91Å; L550-M880 HydrophobicContact CD2-SD 3.51Å; L550-M880 VanDerWaalsContact CD2-SD 3.51Å; L550-M880 HydrophobicContact CG-SD 4.48Å; G878-M880 WeakPolarHBondContact O-CE 3.41Å; M880-D901 HydrophobicContact CB-CB 3.99Å; M880-D901 PolarHBondContact N-OD2 3.25Å
881S65Low78.1Confident27 Ų2736.9 Ų36.919%0.18919%0.187CC..SBendtrans-144.7-175.2174.1-167.80000109.3C860 V883 S899 D900C860-S881 WeakPolarHBondContact CA-O 3.47Å; C860-S881 VanDerWaalsContact CB-O 3.27Å; C860-S881 WeakPolarHBondContact CB-O 3.17Å; C860-S881 WeakPolarHBondContact SG-CA 3.3Å; C860-S881 PolarHBondContact SG-O 2.99Å; C860-S881 VanDerWaalsContact SG-O 3.38Å; S881-V883 PolarHBondContact O-N 3.44Å; S881-S899 PolarHBondContact O-OG 3.38Å; S881-D900 WeakPolarHBondContact OG-CB 3.27Å; S881-D900 PolarHBondContact OG-OD2 3.34Å
882W77.7Confident78.6Confident138 Ų13834.4 Ų34.452%0.52317%0.171SC..  trans-56.8131.2-176.4-64-5.1000111.8S858 H884 S899 D900S858-W882 PolarHBondContact O-NE1 3.28Å; S858-W882 VanDerWaalsContact O-NE1 3.15Å; W882-H884 PolarHBondContact O-N 2.84Å; W882-S899 WeakPolarHBondContact O-CA 3.5Å; W882-S899 PolarHBondContact O-OG 3Å; W882-S899 VanDerWaalsContact O-OG 3.14Å; W882-D900 PolarHBondContact O-N 2.82Å
883V84.9Confident79.1Confident0 Ų033 Ų330%017%0.171CC..EExtended strand (participates in β ladder)trans-84.5111.6174.5-174.30000108A856 V862 H879 S881 S898A856-V883 HydrophobicContact CB-CB 4Å; A856-V883 HydrophobicContact CB-CG1 3.81Å; V862-V883 HydrophobicContact CG2-CB 4.14Å; V862-V883 HydrophobicContact CG2-CG1 3.73Å; V862-V883 HydrophobicContact CG2-CG2 3.97Å; H879-V883 HydrophobicContact CB-CG2 3.7Å; S881-V883 PolarHBondContact O-N 3.44Å; V883-S898 CarbonylContact C-O 3.52Å; V883-S898 WeakPolarHBondContact CG1-O 3.42Å
884H87.2Confident79.7Confident49 Ų4931.8 Ų31.823%0.22716%0.163CC..EExtended strand (participates in β ladder)trans-79.9-36.3-177.1-74.6-71.6000112.7Y617 Y843 W882 S898 D900Y617-H884 AromaticContact CD1-CD2 3.85Å; Y617-H884 AromaticContact CD1-CE1 4Å; Y617-H884 AromaticContact CD1-NE2 3.83Å; Y617-H884 AromaticContact CE1-NE2 3.9Å; Y617-H884 WeakPolarHBondContact O-CB 3.31Å; Y843-H884 WeakPolarHBondContact CB-O 3.21Å; W882-H884 PolarHBondContact O-N 2.84Å; H884-S898 PolarHBondContact N-O 2.99Å; H884-D900 IonicContact NE2-OD1 3.33Å
885C90.8Very high80.6Confident0 Ų031.6 Ų31.60%016%0.162CC..EExtended strand (participates in β ladder)trans-143.4144.7-178.1173.30000111.4Y617 H618 T897 S898Y617-C885 WeakPolarHBondContact O-CB 3.3Å; H618-C885 PolarHBondContact CE1-SG 2.76Å; H618-C885 PolarHBondContact ND1-SG 3.32Å; C885-T897 WeakPolarHBondContact O-CA 3.27Å; C885-S898 WeakPolarHBondContact CB-OG 3.45Å; C885-S898 PolarHBondContact N-O 2.98Å; C885-S898 PolarHBondContact O-N 3.4Å
886V93.9Very high81.5Confident0 Ų030.5 Ų30.50%016%0.155CC..EExtended strand (participates in β ladder)trans-132.1134.4167.159.60000108.6Y843 D845 A854 A856 V862 F895 I896 T897Y843-V886 HydrophobicContact CD1-CG1 4.13Å; Y843-V886 WeakPolarHBondContact CD1-O 3.37Å; Y843-V886 WeakPolarHBondContact CE1-O 3.39Å; D845-V886 WeakPolarHBondContact CB-O 3.5Å; A854-V886 HydrophobicContact CB-CB 4.48Å; A854-V886 HydrophobicContact CB-CG1 4.09Å; A854-V886 HydrophobicContact CB-CG2 3.55Å; A856-V886 HydrophobicContact CB-CB 4.4Å; A856-V886 HydrophobicContact CB-CG1 3.96Å; V862-V886 HydrophobicContact CG1-CB 4.45Å; V862-V886 HydrophobicContact CG1-CG2 4Å; V886-F895 HydrophobicContact CG2-CD2 4.02Å; V886-I896 CarbonylContact C-O 3.52Å; V886-I896 VanDerWaalsContact CA-O 3.29Å; V886-I896 WeakPolarHBondContact CA-O 3.42Å; V886-T897 HydrophobicContact CB-CG2 4.23Å; V886-T897 HydrophobicContact CG2-CG2 3.83Å
887M93.4Very high82.4Confident29 Ų2930.4 Ų30.414%0.14316%0.155CC..EExtended strand (participates in β ladder)trans-145.2136.9179.8-157.3-174.97800111.3C620 F621 D845 F895 I896C620-M887 VanDerWaalsContact CA-CE 3.41Å; C620-M887 HydrophobicContact CB-CE 3.5Å; C620-M887 VanDerWaalsContact CB-CE 3.5Å; C620-M887 HydrophobicContact CB-SD 3.82Å; F621-M887 HydrophobicContact CB-CE 4.36Å; F621-M887 VanDerWaalsContact N-CE 3.26Å; D845-M887 WeakPolarHBondContact OD2-CA 3.49Å; D845-M887 VanDerWaalsContact OD2-CG 3.27Å; D845-M887 WeakPolarHBondContact OD2-CG 3.35Å; M887-F895 CarbonylContact O-C 3.6Å; M887-F895 WeakPolarHBondContact O-CA 3.44Å; M887-F895 WeakPolarHBondContact O-CB 2.96Å; M887-I896 HydrophobicContact CB-CG2 4.07Å; M887-I896 PolarHBondContact N-O 3.24Å; M887-I896 PolarHBondContact O-N 3.21Å
888F93.1Very high83.5Confident7 Ų726.1 Ų26.13%0.03114%0.139CC..EExtended strand (participates in β ladder)trans-76.8153.8174.4-77.4-82.4000111.4D845 C847 A854 L864 F895 T909D845-F888 HydrophobicContact CB-CD2 4.31Å; D845-F888 PolarHBondContact OD2-N 3.19Å; C847-F888 HydrophobicContact CB-CD1 4.11Å; C847-F888 HydrophobicContact CB-CD2 4.04Å; C847-F888 HydrophobicContact CB-CE1 4Å; C847-F888 HydrophobicContact CB-CE2 3.89Å; C847-F888 HydrophobicContact CB-CG 4.14Å; C847-F888 HydrophobicContact CB-CZ 3.88Å; A854-F888 HydrophobicContact CB-CD2 4.42Å; A854-F888 HydrophobicContact CB-CE2 3.48Å; A854-F888 VanDerWaalsContact CB-CE2 3.48Å; A854-F888 HydrophobicContact CB-CZ 3.73Å; L864-F888 HydrophobicContact CD2-CZ 4.09Å; F888-F895 HydrophobicContact CD1-CB 3.65Å; F888-F895 HydrophobicContact CD1-CG 4.48Å; F888-F895 HydrophobicContact CE1-CB 3.86Å; F888-F895 HydrophobicContact CE1-CD1 4.05Å; F888-F895 HydrophobicContact CE1-CG 4.22Å; F888-F895 HydrophobicContact CG-CB 4.16Å; F888-T909 HydrophobicContact CE1-CG2 4.14Å
889S90.6Very high84.5Confident0 Ų025.5 Ų25.50%013%0.132CC..  trans-67.4155.1162.358.80000110.1R625 D891 G892 L894R625-S889 PolarHBondContact NH2-OG 3.03Å; S889-D891 VanDerWaalsContact CB-OD1 3.28Å; S889-D891 WeakPolarHBondContact CB-OD1 3.47Å; S889-D891 PolarHBondContact O-N 3.29Å; S889-D891 PolarHBondContact OG-OD1 2.95Å; S889-G892 PolarHBondContact O-N 3.26Å; S889-L894 PolarHBondContact N-O 3.31Å; S889-L894 PolarHBondContact OG-N 2.81Å; S889-L894 VanDerWaalsContact OG-N 3.14Å; S889-L894 PolarHBondContact OG-O 3.22Å
890P86Confident85Confident62 Ų6228.1 Ų28.140%0.40315%0.147SC..THydrogen-bonded Turntrans-56.4-23-176.5-25.331.5000115.3P848P848-P890 VanDerWaalsContact CB-O 3.3Å; P848-P890 WeakPolarHBondContact CB-O 3.39Å; P848-P890 WeakPolarHBondContact CG-O 3.38Å
891D83.9Confident85.3Confident83 Ų8326.1 Ų26.144%0.44414%0.137SC..THydrogen-bonded Turntrans-97-1.4177.369.3-26000114R625 S889 S893R625-D891 IonicContact CZ-OD1 3.67Å; R625-D891 IonicContact CZ-OD2 2.69Å; R625-D891 IonicContact NE-OD1 3.94Å; R625-D891 IonicContact NH1-OD2 2.81Å; R625-D891 PolarHBondContact NH1-OD2 3.14Å; R625-D891 VanDerWaalsContact NH1-OD2 3.17Å; R625-D891 IonicContact NH2-OD1 2.73Å; R625-D891 PolarHBondContact NH2-OD1 3.49Å; R625-D891 VanDerWaalsContact NH2-OD1 3.14Å; R625-D891 IonicContact NH2-OD2 3.68Å; R625-D891 PolarHBondContact NH2-OD2 3.41Å; S889-D891 VanDerWaalsContact CB-OD1 3.28Å; S889-D891 WeakPolarHBondContact CB-OD1 3.47Å; S889-D891 PolarHBondContact O-N 3.29Å; S889-D891 PolarHBondContact OG-OD1 2.95Å; D891-S893 PolarHBondContact O-N 2.98Å; D891-S893 VanDerWaalsContact O-N 3.13Å; D891-S893 PolarHBondContact OD1-N 3.05Å; D891-S893 PolarHBondContact OD2-OG 3.24Å
892G85.3Confident85.8Confident3 Ų326.8 Ų26.83%0.03114%0.137CC..SBendtrans73.7-7.5179.600000116.4C847 S889 L894 T909C847-G892 WeakPolarHBondContact SG-CA 3.4Å; S889-G892 PolarHBondContact O-N 3.26Å; G892-L894 PolarHBondContact O-N 2.82Å; G892-T909 WeakPolarHBondContact O-CB 3.43Å; G892-T909 PolarHBondContact O-OG1 3.33Å
893S86.4Confident85.5Confident52 Ų5220.2 Ų20.236%0.36411%0.112SC..SBendtrans-79.8-16.6-171.170.50000114.8R625 D891 T909R625-S893 PolarHBondContact NH1-OG 3.1Å; R625-S893 PolarHBondContact NH2-OG 2.72Å; D891-S893 PolarHBondContact O-N 2.98Å; D891-S893 VanDerWaalsContact O-N 3.13Å; D891-S893 PolarHBondContact OD1-N 3.05Å; D891-S893 PolarHBondContact OD2-OG 3.24Å; S893-T909 VanDerWaalsContact C-OG1 3.31Å; S893-T909 PolarHBondContact O-N 2.95Å; S893-T909 PolarHBondContact O-OG1 2.89Å
894L88.4Confident85.4Confident14 Ų1420.2 Ų20.27%0.07311%0.112CC..EExtended strand (participates in β ladder)trans-130.3160.7171.2-64.5169.7000108.3F621 R625 S889 G892 I906 W907 E908F621-L894 HydrophobicContact CZ-CB 4.31Å; R625-L894 VanDerWaalsContact CZ-CD1 3.42Å; S889-L894 PolarHBondContact N-O 3.31Å; S889-L894 PolarHBondContact OG-N 2.81Å; S889-L894 VanDerWaalsContact OG-N 3.14Å; S889-L894 PolarHBondContact OG-O 3.22Å; G892-L894 PolarHBondContact O-N 2.82Å; L894-I906 HydrophobicContact CB-CG2 4.41Å; L894-I906 HydrophobicContact CD1-CG2 4.04Å; L894-I906 HydrophobicContact CD2-CG2 4.27Å; L894-I906 HydrophobicContact CG-CG2 4.46Å; L894-W907 CarbonylContact C-O 3.52Å; L894-W907 WeakPolarHBondContact CA-O 3.24Å; L894-W907 WeakPolarHBondContact CB-O 3.45Å; L894-W907 VanDerWaalsContact CD2-O 3.29Å; L894-W907 WeakPolarHBondContact CD2-O 3.41Å; L894-E908 HydrophobicContact CD2-CB 3.7Å; L894-E908 HydrophobicContact CD2-CG 4.14Å
895F91.6Very high85.3Confident0 Ų018.1 Ų18.10%010%0.102CC..EExtended strand (participates in β ladder)trans-137.5154.8164.363.5-84.5000110.3V862 L864 C876 V886 M887 F888 T897 W907 V912V862-F895 HydrophobicContact CG1-CE2 4.45Å; L864-F895 HydrophobicContact CD1-CE1 3.96Å; L864-F895 HydrophobicContact CD1-CZ 4.31Å; L864-F895 HydrophobicContact CD2-CE1 4.43Å; L864-F895 HydrophobicContact CD2-CZ 4.43Å; C876-F895 HydrophobicContact CB-CZ 4.33Å; C876-F895 WeakPolarHBondContact SG-CZ 3.15Å; V886-F895 HydrophobicContact CG2-CD2 4.02Å; M887-F895 CarbonylContact O-C 3.6Å; M887-F895 WeakPolarHBondContact O-CA 3.44Å; M887-F895 WeakPolarHBondContact O-CB 2.96Å; F888-F895 HydrophobicContact CD1-CB 3.65Å; F888-F895 HydrophobicContact CD1-CG 4.48Å; F888-F895 HydrophobicContact CE1-CB 3.86Å; F888-F895 HydrophobicContact CE1-CD1 4.05Å; F888-F895 HydrophobicContact CE1-CG 4.22Å; F888-F895 HydrophobicContact CG-CB 4.16Å; F895-T897 HydrophobicContact CD2-CG2 3.93Å; F895-T897 HydrophobicContact CE2-CG2 3.95Å; F895-W907 HydrophobicContact CD1-CB 3.8Å; F895-W907 HydrophobicContact CD2-CB 3.94Å; F895-W907 AromaticContact CD2-CD1 3.62Å; F895-W907 AromaticContact CD2-CG 3.98Å; F895-W907 HydrophobicContact CD2-CG 3.98Å; F895-W907 HydrophobicContact CE1-CB 3.33Å; F895-W907 HydrophobicContact CE1-CG 4.11Å; F895-W907 HydrophobicContact CE2-CB 3.49Å; F895-W907 VanDerWaalsContact CE2-CB 3.49Å; F895-W907 AromaticContact CE2-CD1 3.26Å; F895-W907 HydrophobicContact CE2-CD2 4.09Å; F895-W907 AromaticContact CE2-CG 3.33Å; F895-W907 HydrophobicContact CE2-CG 3.33Å; F895-W907 AromaticContact CE2-NE1 3.96Å; F895-W907 HydrophobicContact CG-CB 4.07Å; F895-W907 HydrophobicContact CZ-CB 3.14Å; F895-W907 AromaticContact CZ-CD1 3.85Å; F895-W907 HydrophobicContact CZ-CD2 4.06Å; F895-W907 AromaticContact CZ-CG 3.39Å; F895-W907 HydrophobicContact CZ-CG 3.39Å; F895-W907 PolarHBondContact N-O 2.93Å; F895-W907 PolarHBondContact O-N 3.02Å; F895-V912 HydrophobicContact CE1-CB 4.35Å; F895-V912 HydrophobicContact CE1-CG1 4.4Å; F895-V912 HydrophobicContact CE1-CG2 4.12Å; F895-V912 HydrophobicContact CZ-CG1 4.34Å; F895-V912 HydrophobicContact CZ-CG2 4.15Å
896I91.7Very high85Confident1 Ų118.1 Ų18.11%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-113.8144.2179.9-158167.9000109.4A619 F621 I628 V886 M887 I904 R905 I906A619-I896 HydrophobicContact CB-CD1 4.05Å; F621-I896 HydrophobicContact CD2-CB 4.3Å; F621-I896 HydrophobicContact CD2-CG2 4.23Å; F621-I896 HydrophobicContact CE2-CB 3.6Å; F621-I896 HydrophobicContact CE2-CG2 4Å; F621-I896 HydrophobicContact CZ-CB 3.95Å; F621-I896 HydrophobicContact CZ-CD1 4.43Å; I628-I896 HydrophobicContact CB-CD1 4.38Å; I628-I896 HydrophobicContact CD1-CD1 3.69Å; I628-I896 HydrophobicContact CG1-CD1 3.98Å; I628-I896 HydrophobicContact CG2-CD1 3.48Å; I628-I896 VanDerWaalsContact CG2-CD1 3.48Å; V886-I896 CarbonylContact C-O 3.52Å; V886-I896 VanDerWaalsContact CA-O 3.29Å; V886-I896 WeakPolarHBondContact CA-O 3.42Å; M887-I896 HydrophobicContact CB-CG2 4.07Å; M887-I896 PolarHBondContact N-O 3.24Å; M887-I896 PolarHBondContact O-N 3.21Å; I896-I904 HydrophobicContact CD1-CG2 3.34Å; I896-I904 HydrophobicContact CG1-CG2 3.38Å; I896-R905 CarbonylContact C-O 3.48Å; I896-R905 WeakPolarHBondContact CA-O 3.35Å; I896-I906 HydrophobicContact CD1-CG1 4.4Å; I896-I906 HydrophobicContact CG1-CG1 4.26Å
897T90.4Very high84.6Confident0 Ų018.1 Ų18.10%010%0.102CC..EExtended strand (participates in β ladder)trans-129.6135.2175.2560000108.6V862 H879 C885 V886 F895 I904 R905 W907V862-T897 HydrophobicContact CB-CG2 4.36Å; V862-T897 HydrophobicContact CG1-CG2 4.26Å; V862-T897 HydrophobicContact CG2-CG2 3.77Å; H879-T897 VanDerWaalsContact NE2-CB 3.26Å; H879-T897 WeakPolarHBondContact NE2-CB 3.26Å; H879-T897 PolarHBondContact NE2-OG1 2.87Å; C885-T897 WeakPolarHBondContact O-CA 3.27Å; V886-T897 HydrophobicContact CB-CG2 4.23Å; V886-T897 HydrophobicContact CG2-CG2 3.83Å; F895-T897 HydrophobicContact CD2-CG2 3.93Å; F895-T897 HydrophobicContact CE2-CG2 3.95Å; T897-I904 CarbonylContact O-C 3.55Å; T897-I904 WeakPolarHBondContact O-CA 3.45Å; T897-R905 PolarHBondContact N-O 3.09Å; T897-R905 PolarHBondContact O-N 3.16Å; T897-R905 WeakPolarHBondContact OG1-CB 3.26Å; T897-R905 PolarHBondContact OG1-O 3.4Å; T897-W907 PolarHBondContact OG1-NE1 3.24Å
898S88.2Confident84.1Confident0 Ų020 Ų200%011%0.111CC..EExtended strand (participates in β ladder)trans-120.7138.417665.10000109.9V616 V883 H884 C885V616-S898 WeakPolarHBondContact O-CB 3.31Å; V616-S898 PolarHBondContact O-OG 3.29Å; V883-S898 CarbonylContact C-O 3.52Å; V883-S898 WeakPolarHBondContact CG1-O 3.42Å; H884-S898 PolarHBondContact N-O 2.99Å; C885-S898 WeakPolarHBondContact CB-OG 3.45Å; C885-S898 PolarHBondContact N-O 2.98Å; C885-S898 PolarHBondContact O-N 3.4Å
899S82.8Confident83.7Confident0 Ų020 Ų200%011%0.111CC..EExtended strand (participates in β ladder)trans-136.6161.8-170.71730000111.5V616 H879 S881 W882 D901 Q902 T903V616-S899 PolarHBondContact N-O 3.17Å; H879-S899 WeakPolarHBondContact ND1-CB 3.19Å; S881-S899 PolarHBondContact O-OG 3.38Å; W882-S899 WeakPolarHBondContact O-CA 3.5Å; W882-S899 PolarHBondContact O-OG 3Å; W882-S899 VanDerWaalsContact O-OG 3.14Å; S899-D901 VanDerWaalsContact CB-OD1 3.25Å; S899-D901 WeakPolarHBondContact CB-OD1 2.94Å; S899-D901 PolarHBondContact O-N 3.02Å; S899-D901 VanDerWaalsContact OG-CG 3.24Å; S899-D901 PolarHBondContact OG-N 3.5Å; S899-D901 PolarHBondContact OG-OD1 3.33Å; S899-D901 PolarHBondContact OG-OD2 2.68Å; S899-Q902 PolarHBondContact O-N 2.71Å; S899-T903 PolarHBondContact N-O 2.96Å
900D76.6Confident83.2Confident64 Ų6422.7 Ų22.734%0.34213%0.13SC..THydrogen-bonded Turntrans-64.3-17.4171.6-171.756.7000112.4A615 S881 W882 H884 Q902A615-D900 HydrophobicContact CB-CB 4.45Å; A615-D900 WeakPolarHBondContact CB-OD1 3.09Å; S881-D900 WeakPolarHBondContact OG-CB 3.27Å; S881-D900 PolarHBondContact OG-OD2 3.34Å; W882-D900 PolarHBondContact O-N 2.82Å; H884-D900 IonicContact NE2-OD1 3.33Å; D900-Q902 PolarHBondContact O-N 3.29Å
901D64.4Low82.5Confident19 Ų1922.8 Ų22.810%0.10212%0.124CC..THydrogen-bonded Turntrans-70.412.4171.669.514.2000114.9H879 M880 S899 T903H879-D901 WeakPolarHBondContact CA-OD2 3.39Å; H879-D901 IonicContact CG-OD2 3.56Å; H879-D901 IonicContact ND1-OD1 3.58Å; H879-D901 IonicContact ND1-OD2 2.84Å; H879-D901 PolarHBondContact ND1-OD2 2.98Å; M880-D901 HydrophobicContact CB-CB 3.99Å; M880-D901 PolarHBondContact N-OD2 3.25Å; S899-D901 VanDerWaalsContact CB-OD1 3.25Å; S899-D901 WeakPolarHBondContact CB-OD1 2.94Å; S899-D901 PolarHBondContact O-N 3.02Å; S899-D901 VanDerWaalsContact OG-CG 3.24Å; S899-D901 PolarHBondContact OG-N 3.5Å; S899-D901 PolarHBondContact OG-OD1 3.33Å; S899-D901 PolarHBondContact OG-OD2 2.68Å; D901-T903 PolarHBondContact O-N 3.02Å; D901-T903 VanDerWaalsContact O-N 3.12Å; D901-T903 WeakPolarHBondContact OD1-CA 3.32Å; D901-T903 VanDerWaalsContact OD1-CB 3.22Å; D901-T903 WeakPolarHBondContact OD1-CB 3.17Å; D901-T903 PolarHBondContact OD1-N 3.09Å; D901-T903 PolarHBondContact OD1-OG1 2.96Å; D901-T903 PolarHBondContact OD2-OG1 2.8Å
902Q73.8Confident82.1Confident42 Ų4218.9 Ų18.920%0.19610%0.103CC..SBendtrans65.29.2179.7-40.2-179.4-12.800113.8R613 S899 D900R613-Q902 PolarHBondContact O-NE2 3.17Å; S899-Q902 PolarHBondContact O-N 2.71Å; D900-Q902 PolarHBondContact O-N 3.29Å
903T72.7Confident81.3Confident0 Ų020 Ų200%011%0.11CC..  trans-104153.2-179.873.20000112.4V608 R610 H879 S899 D901V608-T903 HydrophobicContact CG1-CG2 4.08Å; R610-T903 HydrophobicContact CG-CG2 3.59Å; H879-T903 PolarHBondContact CE1-OG1 3.08Å; H879-T903 VanDerWaalsContact CE1-OG1 3.25Å; H879-T903 PolarHBondContact ND1-OG1 2.83Å; S899-T903 PolarHBondContact N-O 2.96Å; D901-T903 PolarHBondContact O-N 3.02Å; D901-T903 VanDerWaalsContact O-N 3.12Å; D901-T903 WeakPolarHBondContact OD1-CA 3.32Å; D901-T903 VanDerWaalsContact OD1-CB 3.22Å; D901-T903 WeakPolarHBondContact OD1-CB 3.17Å; D901-T903 PolarHBondContact OD1-N 3.09Å; D901-T903 PolarHBondContact OD1-OG1 2.96Å; D901-T903 PolarHBondContact OD2-OG1 2.8Å
904I82.5Confident80.1Confident0 Ų024.9 Ų24.90%013%0.125CC..EExtended strand (participates in β ladder)trans-119121165.1-58.8172000106.4V609 P611 V616 A619 S630 F640 I896 T897V609-I904 PolarHBondContact N-O 2.93Å; V609-I904 PolarHBondContact O-N 2.89Å; P611-I904 HydrophobicContact CG-CD1 3.57Å; P611-I904 HydrophobicContact CG-CG1 4.42Å; V616-I904 HydrophobicContact CB-CG1 4.38Å; V616-I904 HydrophobicContact CG1-CD1 3.96Å; V616-I904 HydrophobicContact CG1-CG1 3.91Å; V616-I904 HydrophobicContact CG2-CG1 4.2Å; A619-I904 HydrophobicContact CB-CD1 4.16Å; A619-I904 HydrophobicContact CB-CG1 4.45Å; A619-I904 HydrophobicContact CB-CG2 4.23Å; S630-I904 WeakPolarHBondContact OG-CD1 3.37Å; F640-I904 HydrophobicContact CE1-CD1 3.85Å; F640-I904 HydrophobicContact CZ-CB 4.49Å; F640-I904 HydrophobicContact CZ-CD1 3.62Å; F640-I904 HydrophobicContact CZ-CG2 4.33Å; I896-I904 HydrophobicContact CD1-CG2 3.34Å; I896-I904 HydrophobicContact CG1-CG2 3.38Å; T897-I904 CarbonylContact O-C 3.55Å; T897-I904 WeakPolarHBondContact O-CA 3.45Å
905R84.9Confident78.5Confident5 Ų525.8 Ų25.82%0.01913%0.133CC..EExtended strand (participates in β ladder)trans-107.9134177.4-63.4-177.7171.7-112.5-1.5109.4S605 V608 G878 I896 T897 W907S605-R905 PolarHBondContact OG-NH1 3.4Å; V608-R905 HydrophobicContact CB-CG 4.47Å; V608-R905 HydrophobicContact CG1-CG 4.06Å; V608-R905 HydrophobicContact CG2-CG 4.01Å; G878-R905 VanDerWaalsContact C-CZ 3.47Å; G878-R905 PolarHBondContact O-NE 3.5Å; G878-R905 VanDerWaalsContact O-NE 3.11Å; G878-R905 PolarHBondContact O-NH2 2.95Å; I896-R905 CarbonylContact C-O 3.48Å; I896-R905 WeakPolarHBondContact CA-O 3.35Å; T897-R905 PolarHBondContact N-O 3.09Å; T897-R905 PolarHBondContact O-N 3.16Å; T897-R905 WeakPolarHBondContact OG1-CB 3.26Å; T897-R905 PolarHBondContact OG1-O 3.4Å; R905-W907 HydrophobicContact CB-CZ2 3.81Å; R905-W907 HydrophobicContact CG-CZ2 4.32Å; R905-W907 PolarHBondContact O-NE1 3.37Å
906I84.7Confident76.4Confident0 Ų026.3 Ų26.30%014%0.136CC..EExtended strand (participates in β ladder)trans-105.1131.4172.7-56175.1000107.9S605 R606 L607 F621 I628 A642 L894 I896S605-I906 CarbonylContact C-O 3.57Å; S605-I906 WeakPolarHBondContact CA-O 3.35Å; R606-I906 PolarHBondContact N-O 3.26Å; L607-I906 HydrophobicContact CB-CB 4.25Å; L607-I906 HydrophobicContact CB-CD1 4.17Å; L607-I906 HydrophobicContact CB-CG1 4.49Å; L607-I906 HydrophobicContact CD2-CD1 3.86Å; L607-I906 HydrophobicContact CG-CD1 4.5Å; L607-I906 PolarHBondContact N-O 3.07Å; L607-I906 PolarHBondContact O-N 2.69Å; F621-I906 HydrophobicContact CZ-CG2 4.16Å; I628-I906 HydrophobicContact CD1-CD1 3.33Å; I628-I906 HydrophobicContact CD1-CG1 4.03Å; A642-I906 VanDerWaalsContact O-CD1 3.3Å; A642-I906 WeakPolarHBondContact O-CD1 3.38Å; L894-I906 HydrophobicContact CB-CG2 4.41Å; L894-I906 HydrophobicContact CD1-CG2 4.04Å; L894-I906 HydrophobicContact CD2-CG2 4.27Å; L894-I906 HydrophobicContact CG-CG2 4.46Å; I896-I906 HydrophobicContact CD1-CG1 4.4Å; I896-I906 HydrophobicContact CG1-CG1 4.26Å
907W84.6Confident74.1Confident0 Ų029.8 Ų29.80%016%0.155CC..EExtended strand (participates in β ladder)trans-123144.2-176-52.885.6000109.7L604 C876 R877 L894 F895 T897 R905 V912L604-W907 HydrophobicContact CB-CE3 4.02Å; L604-W907 HydrophobicContact CB-CZ3 3.68Å; C876-W907 HydrophobicContact CB-CD2 4.48Å; C876-W907 HydrophobicContact CB-CE3 4.27Å; C876-W907 HydrophobicContact CB-CH2 4.32Å; C876-W907 HydrophobicContact CB-CZ3 4.16Å; R877-W907 WeakPolarHBondContact O-CH2 3.45Å; L894-W907 CarbonylContact C-O 3.52Å; L894-W907 WeakPolarHBondContact CA-O 3.24Å; L894-W907 WeakPolarHBondContact CB-O 3.45Å; L894-W907 VanDerWaalsContact CD2-O 3.29Å; L894-W907 WeakPolarHBondContact CD2-O 3.41Å; F895-W907 HydrophobicContact CD1-CB 3.8Å; F895-W907 HydrophobicContact CD2-CB 3.94Å; F895-W907 AromaticContact CD2-CD1 3.62Å; F895-W907 AromaticContact CD2-CG 3.98Å; F895-W907 HydrophobicContact CD2-CG 3.98Å; F895-W907 HydrophobicContact CE1-CB 3.33Å; F895-W907 HydrophobicContact CE1-CG 4.11Å; F895-W907 HydrophobicContact CE2-CB 3.49Å; F895-W907 VanDerWaalsContact CE2-CB 3.49Å; F895-W907 AromaticContact CE2-CD1 3.26Å; F895-W907 HydrophobicContact CE2-CD2 4.09Å; F895-W907 AromaticContact CE2-CG 3.33Å; F895-W907 HydrophobicContact CE2-CG 3.33Å; F895-W907 AromaticContact CE2-NE1 3.96Å; F895-W907 HydrophobicContact CG-CB 4.07Å; F895-W907 HydrophobicContact CZ-CB 3.14Å; F895-W907 AromaticContact CZ-CD1 3.85Å; F895-W907 HydrophobicContact CZ-CD2 4.06Å; F895-W907 AromaticContact CZ-CG 3.39Å; F895-W907 HydrophobicContact CZ-CG 3.39Å; F895-W907 PolarHBondContact N-O 2.93Å; F895-W907 PolarHBondContact O-N 3.02Å; T897-W907 PolarHBondContact OG1-NE1 3.24Å; R905-W907 HydrophobicContact CB-CZ2 3.81Å; R905-W907 HydrophobicContact CG-CZ2 4.32Å; R905-W907 PolarHBondContact O-NE1 3.37Å; W907-V912 HydrophobicContact CB-CG2 4.04Å; W907-V912 HydrophobicContact CE3-CG2 3.99Å
908E83.8Confident72.3Confident68 Ų6832.4 Ų32.432%0.31818%0.176SC..EExtended strand (participates in β ladder)trans-95.1115.2172.7-179.8174.9-16000109.7L894 S910 K911 V912L894-E908 HydrophobicContact CD2-CB 3.7Å; L894-E908 HydrophobicContact CD2-CG 4.14Å; E908-S910 VanDerWaalsContact C-N 3.29Å; E908-S910 PolarHBondContact O-N 3.15Å; E908-K911 HydrophobicContact CB-CB 3.87Å; E908-K911 HydrophobicContact CG-CB 3.95Å; E908-K911 PolarHBondContact O-N 3.33Å; E908-K911 VanDerWaalsContact O-N 3.09Å; E908-V912 WeakPolarHBondContact O-CB 3.21Å; E908-V912 WeakPolarHBondContact O-CG2 3.43Å; E908-V912 PolarHBondContact O-N 3.33Å
909T84.2Confident71.1Confident6 Ų635.2 Ų35.24%0.03719%0.193CC..Hα-helixtrans-55.5-46.3-172.4-480000110.7L852 F888 G892 S893 K911 V912 C913L852-T909 HydrophobicContact CD1-CG2 4.05Å; F888-T909 HydrophobicContact CE1-CG2 4.14Å; G892-T909 WeakPolarHBondContact O-CB 3.43Å; G892-T909 PolarHBondContact O-OG1 3.33Å; S893-T909 VanDerWaalsContact C-OG1 3.31Å; S893-T909 PolarHBondContact O-N 2.95Å; S893-T909 PolarHBondContact O-OG1 2.89Å; T909-K911 PolarHBondContact O-N 3.04Å; T909-V912 PolarHBondContact O-N 3.45Å; T909-C913 WeakPolarHBondContact O-CB 3.29Å; T909-C913 PolarHBondContact O-N 3.46Å; T909-C913 PolarHBondContact O-SG 3.04Å
910S80.1Confident70.6Confident58 Ų5836 Ų3641%0.40620%0.198SC..Hα-helixtrans-67.5-37.1-179.577.30000113.3E908 K914E908-S910 VanDerWaalsContact C-N 3.29Å; E908-S910 PolarHBondContact O-N 3.15Å; S910-K914 WeakPolarHBondContact O-CB 3.27Å; S910-K914 WeakPolarHBondContact O-CD 3.38Å; S910-K914 WeakPolarHBondContact O-CG 3.43Å; S910-K914 PolarHBondContact O-N 3.01Å; S910-K914 VanDerWaalsContact O-N 3.09Å
911K72.6Confident70.7Confident64 Ų6436.1 Ų36.128%0.27820%0.195SC..Hα-helixtrans-69.5-45.5178-175.2-173.1172.3-160.80110.2N603 E908 T909 K914 S915N603-K911 PolarHBondContact O-NZ 2.89Å; E908-K911 HydrophobicContact CB-CB 3.87Å; E908-K911 HydrophobicContact CG-CB 3.95Å; E908-K911 PolarHBondContact O-N 3.33Å; E908-K911 VanDerWaalsContact O-N 3.09Å; T909-K911 PolarHBondContact O-N 3.04Å; K911-K914 PolarHBondContact O-N 2.92Å; K911-S915 VanDerWaalsContact O-CB 3.24Å; K911-S915 WeakPolarHBondContact O-CB 3.17Å; K911-S915 PolarHBondContact O-N 3.19Å; K911-S915 PolarHBondContact O-OG 3.26Å
912V73.6Confident71.1Confident0 Ų037 Ų370%020%0.203CC..Hα-helixtrans-58.5-54.9176.5167.70000109.9L864 A874 C876 F895 W907 E908 T909 K914 S915 S916L864-V912 HydrophobicContact CD1-CG1 3.78Å; A874-V912 HydrophobicContact CB-CG1 3.63Å; C876-V912 WeakPolarHBondContact SG-CG1 3.38Å; F895-V912 HydrophobicContact CE1-CB 4.35Å; F895-V912 HydrophobicContact CE1-CG1 4.4Å; F895-V912 HydrophobicContact CE1-CG2 4.12Å; F895-V912 HydrophobicContact CZ-CG1 4.34Å; F895-V912 HydrophobicContact CZ-CG2 4.15Å; W907-V912 HydrophobicContact CB-CG2 4.04Å; W907-V912 HydrophobicContact CE3-CG2 3.99Å; E908-V912 WeakPolarHBondContact O-CB 3.21Å; E908-V912 WeakPolarHBondContact O-CG2 3.43Å; E908-V912 PolarHBondContact O-N 3.33Å; T909-V912 PolarHBondContact O-N 3.45Å; V912-K914 VanDerWaalsContact C-N 3.27Å; V912-K914 PolarHBondContact O-N 3.33Å; V912-S915 WeakPolarHBondContact CA-OG 3.35Å; V912-S915 PolarHBondContact O-N 3.45Å; V912-S915 PolarHBondContact O-OG 2.79Å; V912-S916 WeakPolarHBondContact O-CB 3.14Å; V912-S916 PolarHBondContact O-N 2.54Å; V912-S916 PolarHBondContact O-OG 2.78Å
913C70.5Confident71.5Confident26 Ų2636.3 Ų36.318%0.17620%0.2CC..Hα-helixtrans-59.5-34.8179.7-65.10000113.1V873 T909 S916V873-C913 HydrophobicContact CG1-CB 4.15Å; T909-C913 WeakPolarHBondContact O-CB 3.29Å; T909-C913 PolarHBondContact O-N 3.46Å; T909-C913 PolarHBondContact O-SG 3.04Å; C913-S916 WeakPolarHBondContact CA-OG 3.49Å; C913-S916 PolarHBondContact O-OG 2.69Å
914K60.6Low72.3Confident155 Ų15536.5 Ų36.567%0.67420%0.2SC*.Hα-helixtrans-75.4-32175.6-74.7172.7-177.5176.30113.5S910 K911 V912S910-K914 WeakPolarHBondContact O-CB 3.27Å; S910-K914 WeakPolarHBondContact O-CD 3.38Å; S910-K914 WeakPolarHBondContact O-CG 3.43Å; S910-K914 PolarHBondContact O-N 3.01Å; S910-K914 VanDerWaalsContact O-N 3.09Å; K911-K914 PolarHBondContact O-N 2.92Å; V912-K914 VanDerWaalsContact C-N 3.27Å; V912-K914 PolarHBondContact O-N 3.33Å
915S54.1Low72.6Confident34 Ų3437.3 Ų37.324%0.23821%0.205CC..Hα-helixtrans-83.5-29.7-179.6640000112.8L604 K911 V912 D917 A918L604-S915 WeakPolarHBondContact CD2-OG 3.26Å; K911-S915 VanDerWaalsContact O-CB 3.24Å; K911-S915 WeakPolarHBondContact O-CB 3.17Å; K911-S915 PolarHBondContact O-N 3.19Å; K911-S915 PolarHBondContact O-OG 3.26Å; V912-S915 WeakPolarHBondContact CA-OG 3.35Å; V912-S915 PolarHBondContact O-N 3.45Å; V912-S915 PolarHBondContact O-OG 2.79Å; S915-D917 PolarHBondContact O-N 3.06Å; S915-A918 VanDerWaalsContact O-CB 3.26Å; S915-A918 WeakPolarHBondContact O-CB 3.48Å; S915-A918 PolarHBondContact O-N 2.76Å
916S48.8Very low72.9Confident10 Ų1037.7 Ų37.77%0.0721%0.208CC..THydrogen-bonded Turntrans-78.9-4.1175.961.20000112.9V873 A874 V912 C913 A918V873-S916 PolarHBondContact O-OG 3.03Å; A874-S916 VanDerWaalsContact CA-CB 3.48Å; A874-S916 WeakPolarHBondContact CA-OG 3.46Å; A874-S916 VanDerWaalsContact CB-CB 3.45Å; A874-S916 WeakPolarHBondContact CB-OG 3.16Å; V912-S916 WeakPolarHBondContact O-CB 3.14Å; V912-S916 PolarHBondContact O-N 2.54Å; V912-S916 PolarHBondContact O-OG 2.78Å; C913-S916 WeakPolarHBondContact CA-OG 3.49Å; C913-S916 PolarHBondContact O-OG 2.69Å; S916-A918 PolarHBondContact O-N 2.9Å
917D42.9Very low73.1Confident75 Ų7538.8 Ų38.840%0.40122%0.215SC..THydrogen-bonded Turntrans-59.1-18.4157.3-77-33.9000110.9S915 V919 Y939 N940S915-D917 PolarHBondContact O-N 3.06Å; D917-V919 PolarHBondContact O-N 2.97Å; D917-Y939 HydrophobicContact CB-CE1 4.31Å; D917-Y939 WeakPolarHBondContact CB-OH 3.34Å; D917-Y939 WeakPolarHBondContact O-CE1 3.33Å; D917-Y939 VanDerWaalsContact O-CE2 3.31Å; D917-Y939 WeakPolarHBondContact O-CE2 3.44Å; D917-Y939 PolarHBondContact O-OH 3.45Å; D917-N940 VanDerWaalsContact CA-ND2 3.32Å; D917-N940 WeakPolarHBondContact CA-ND2 3.44Å; D917-N940 PolarHBondContact O-ND2 3.14Å; D917-N940 PolarHBondContact O-OD1 3.15Å; D917-N940 PolarHBondContact OD1-ND2 2.68Å
918A52.5Low73.3Confident54 Ų5441.3 Ų41.345%0.44623%0.226SC..  trans-99.949.4-174.600000116.5S915 S916 Y939S915-A918 VanDerWaalsContact O-CB 3.26Å; S915-A918 WeakPolarHBondContact O-CB 3.48Å; S915-A918 PolarHBondContact O-N 2.76Å; S916-A918 PolarHBondContact O-N 2.9Å; A918-Y939 HydrophobicContact CB-CD2 4.44Å; A918-Y939 HydrophobicContact CB-CE2 3.5Å; A918-Y939 VanDerWaalsContact CB-CE2 3.5Å; A918-Y939 PolarHBondContact N-OH 2.75Å
919V62.7Low73.2Confident59 Ų5943.9 Ų43.936%0.35823%0.232SC..  trans-96.2115.5168.5-175.80000109.6D917 N940D917-V919 PolarHBondContact O-N 2.97Å; V919-N940 PolarHBondContact O-N 3.13Å; V919-N940 VanDerWaalsContact O-N 3.11Å
920L72.7Confident72.4Confident17 Ų1751 Ų519%0.08927%0.27CS..EExtended strand (participates in β ladder)trans-77142172.3-60.1178.4000110A937 I938 Y939 I947 G1241 L1243L920-A937 HydrophobicContact CD1-CB 3.93Å; L920-A937 HydrophobicContact CD2-CB 3.63Å; L920-A937 HydrophobicContact CG-CB 4.25Å; L920-I938 CarbonylContact C-O 3.59Å; L920-I938 WeakPolarHBondContact CA-O 3.48Å; L920-Y939 HydrophobicContact CD2-CD2 4.13Å; L920-I947 HydrophobicContact CD1-CD1 4.32Å; L920-G1241 WeakPolarHBondContact CB-O 3.29Å; L920-G1241 WeakPolarHBondContact O-CA 3.36Å; L920-L1243 HydrophobicContact CD1-CB 3.88Å; L920-L1243 HydrophobicContact CD1-CD2 4.4Å
921K77.9Confident71.9Confident66 Ų6654.5 Ų54.529%0.28728%0.284SS..EExtended strand (participates in β ladder)trans-69.2152.8166.2-158.5178-176.9-1760108.8E923 I938 I965 C966K921-E923 HydrophobicContact CD-CB 4.34Å; K921-E923 HydrophobicContact CG-CB 4.49Å; K921-E923 PolarHBondContact O-N 3.27Å; K921-E923 VanDerWaalsContact O-N 3.11Å; K921-I938 HydrophobicContact CB-CB 3.96Å; K921-I938 HydrophobicContact CB-CG2 4.25Å; K921-I938 HydrophobicContact CD-CD1 4.16Å; K921-I938 HydrophobicContact CD-CG2 4.42Å; K921-I938 PolarHBondContact N-O 2.8Å; K921-I965 PolarHBondContact NZ-O 2.63Å; K921-C966 PolarHBondContact NZ-O 2.68Å
922S73.4Confident72.3Confident39 Ų3956.5 Ų56.527%0.27330%0.295SS..EExtended strand (participates in β ladder)trans-63-14.8173.556.80000114
923E82.2Confident73Confident27 Ų2756.6 Ų56.613%0.12630%0.295CS..EExtended strand (participates in β ladder)trans-84.6122.9174.1-160.470.1-164.200110.7K921 I938 K1223K921-E923 HydrophobicContact CD-CB 4.34Å; K921-E923 HydrophobicContact CG-CB 4.49Å; K921-E923 PolarHBondContact O-N 3.27Å; K921-E923 VanDerWaalsContact O-N 3.11Å; E923-I938 HydrophobicContact CB-CD1 4.22Å; E923-K1223 WeakPolarHBondContact OE2-CE 3.2Å; E923-K1223 IonicContact OE2-NZ 2.61Å; E923-K1223 PolarHBondContact OE2-NZ 2.57Å
924L88.3Confident73.9Confident3 Ų356.2 Ų56.22%0.01629%0.291CS..EExtended strand (participates in β ladder)trans-149.9158179.161.291.8000110.6V926 L936 R1226 V1235 V1237 L1243L924-V926 HydrophobicContact CD1-CG2 3.36Å; L924-L936 WeakPolarHBondContact CA-O 3.14Å; L924-R1226 HydrophobicContact CD1-CG 4.18Å; L924-V1235 HydrophobicContact CD1-CG1 4.37Å; L924-V1237 HydrophobicContact CD2-CB 3.63Å; L924-V1237 HydrophobicContact CD2-CG2 3.15Å; L924-L1243 HydrophobicContact CD2-CD1 4.4Å
925D90.1Very high75.3Confident18 Ų1848.9 Ų48.910%0.09626%0.259CS..EExtended strand (participates in β ladder)trans-124.9145.9170.1-159.420.9000110.7L936 C969 L970 R1226D925-L936 PolarHBondContact N-O 3.1Å; D925-L936 PolarHBondContact O-N 3.46Å; D925-C969 WeakPolarHBondContact OD2-CA 3.27Å; D925-L970 PolarHBondContact OD2-N 3.23Å; D925-R1226 IonicContact OD1-CZ 3.45Å; D925-R1226 IonicContact OD1-NH1 3.68Å; D925-R1226 IonicContact OD1-NH2 3.49Å; D925-R1226 PolarHBondContact OD1-NH2 3.48Å
926V90.6Very high77.1Confident13 Ų1347.2 Ų47.28%0.07925%0.248CC..EExtended strand (participates in β ladder)trans-135.8133.3-172.1-174.20000109.9L924 F928 V933 M934 I935 R1226 V1235L924-V926 HydrophobicContact CD1-CG2 3.36Å; V926-F928 HydrophobicContact CB-CE2 4.44Å; V926-F928 HydrophobicContact CB-CZ 4.48Å; V926-F928 HydrophobicContact CG1-CD1 4.4Å; V926-F928 HydrophobicContact CG1-CD2 4.34Å; V926-F928 HydrophobicContact CG1-CE1 3.9Å; V926-F928 HydrophobicContact CG1-CE2 3.85Å; V926-F928 HydrophobicContact CG1-CZ 3.61Å; V926-V933 HydrophobicContact CG1-CG1 3.92Å; V926-M934 WeakPolarHBondContact CA-O 3.29Å; V926-I935 HydrophobicContact CG1-CG1 4.28Å; V926-I935 HydrophobicContact CG2-CG1 4.28Å; V926-I935 HydrophobicContact CG2-CG2 4.37Å; V926-R1226 HydrophobicContact CB-CB 4.11Å; V926-R1226 HydrophobicContact CB-CG 4.24Å; V926-R1226 HydrophobicContact CG2-CB 4.03Å; V926-R1226 HydrophobicContact CG2-CG 3.97Å; V926-V1235 HydrophobicContact CG1-CG2 4.19Å; V926-V1235 HydrophobicContact CG2-CB 4.06Å; V926-V1235 HydrophobicContact CG2-CG1 3.8Å
927V89.4Confident79Confident23 Ų2346.8 Ų46.814%0.13924%0.244CC..EExtended strand (participates in β ladder)trans-120.4129.8171173.30000109.2M934 L970 L974V927-M934 PolarHBondContact N-O 3.28Å; V927-M934 PolarHBondContact O-N 3.45Å; V927-L970 HydrophobicContact CB-CD2 3.88Å; V927-L970 HydrophobicContact CG2-CB 4.1Å; V927-L970 HydrophobicContact CG2-CD2 3.63Å; V927-L970 HydrophobicContact CG2-CG 4.2Å; V927-L974 HydrophobicContact CB-CD2 3.91Å; V927-L974 HydrophobicContact CG1-CD2 3.89Å; V927-L974 HydrophobicContact CG1-CG 4.32Å; V927-L974 HydrophobicContact CG2-CD2 4.32Å
928F87.8Confident81Confident53 Ų5343.2 Ų43.223%0.23223%0.225CC..EExtended strand (participates in β ladder)trans-102.2120.7177-58.1-81.1000109.3V926 V933 R1226 V1227 V1233 V1235V926-F928 HydrophobicContact CB-CE2 4.44Å; V926-F928 HydrophobicContact CB-CZ 4.48Å; V926-F928 HydrophobicContact CG1-CD1 4.4Å; V926-F928 HydrophobicContact CG1-CD2 4.34Å; V926-F928 HydrophobicContact CG1-CE1 3.9Å; V926-F928 HydrophobicContact CG1-CE2 3.85Å; V926-F928 HydrophobicContact CG1-CZ 3.61Å; F928-V933 HydrophobicContact CD1-CG1 4.22Å; F928-V933 HydrophobicContact CD1-CG2 4.12Å; F928-V933 HydrophobicContact CE1-CG1 3.96Å; F928-V933 HydrophobicContact CE1-CG2 4.29Å; F928-R1226 HydrophobicContact CE2-CB 4.45Å; F928-R1226 HydrophobicContact CZ-CB 4.42Å; F928-V1227 WeakPolarHBondContact CE2-O 3.34Å; F928-V1233 HydrophobicContact CE1-CB 4.37Å; F928-V1233 HydrophobicContact CE1-CG1 4.22Å; F928-V1235 HydrophobicContact CE1-CG2 4.21Å; F928-V1235 HydrophobicContact CZ-CG2 4.26Å
929R81.2Confident82.2Confident122 Ų12242.1 Ų42.146%0.4621%0.21SC..EExtended strand (participates in β ladder)trans-140.5118.8-178.9-163.1-179.7-163.9168.89.1111.1D931 E932 D973R929-D931 VanDerWaalsContact C-N 3.3Å; R929-D931 PolarHBondContact O-N 3.14Å; R929-E932 PolarHBondContact N-O 3.16Å; R929-E932 WeakPolarHBondContact O-CA 3.27Å; R929-E932 WeakPolarHBondContact O-CB 3.49Å; R929-E932 PolarHBondContact O-N 2.88Å; R929-D973 PolarHBondContact NH1-O 3.04Å
930N68.3Low82.5Confident155 Ų15541.9 Ų41.983%0.82921%0.207SC*.THydrogen-bonded Turntrans46.348.6175.6-60.3-19000113.9E932N930-E932 PolarHBondContact O-N 2.83Å
931D69.3Low82.7Confident131 Ų13145.7 Ų45.770%0.70122%0.224SC*.THydrogen-bonded Turntrans67.20.5-175-60-36.8000116.5R929 N950R929-D931 VanDerWaalsContact C-N 3.3Å; R929-D931 PolarHBondContact O-N 3.14Å; D931-N950 PolarHBondContact O-ND2 2.75Å
932E81.3Confident82.8Confident107 Ų10746.2 Ų46.250%0.523%0.228SC..EExtended strand (participates in β ladder)trans-86.9138.4166.3-63.3-176.2167.500111.2R929 N930R929-E932 PolarHBondContact N-O 3.16Å; R929-E932 WeakPolarHBondContact O-CA 3.27Å; R929-E932 WeakPolarHBondContact O-CB 3.49Å; R929-E932 PolarHBondContact O-N 2.88Å; N930-E932 PolarHBondContact O-N 2.83Å
933V88.1Confident83.3Confident2 Ų246.1 Ų46.11%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-110.4115178.5-173.50000107.8V926 F928 I935 N948 G949 N950 V1233 V1235V926-V933 HydrophobicContact CG1-CG1 3.92Å; F928-V933 HydrophobicContact CD1-CG1 4.22Å; F928-V933 HydrophobicContact CD1-CG2 4.12Å; F928-V933 HydrophobicContact CE1-CG1 3.96Å; F928-V933 HydrophobicContact CE1-CG2 4.29Å; V933-I935 HydrophobicContact CG1-CD1 4.02Å; V933-I935 HydrophobicContact CG1-CG1 3.86Å; V933-N948 CarbonylContact O-C 3.5Å; V933-G949 PolarHBondContact O-N 3.15Å; V933-N950 WeakPolarHBondContact CG2-OD1 3.41Å; V933-V1233 HydrophobicContact CG2-CG1 3.9Å; V933-V1235 HydrophobicContact CG1-CG2 3.83Å
934M90.3Very high83.6Confident18 Ų1844.9 Ų44.99%0.08922%0.217CC..EExtended strand (participates in β ladder)trans-109.4120.3178.5-67.6-64.5-76.600109.2V926 V927 L946 I955 L970 L974V926-M934 WeakPolarHBondContact CA-O 3.29Å; V927-M934 PolarHBondContact N-O 3.28Å; V927-M934 PolarHBondContact O-N 3.45Å; M934-L946 HydrophobicContact CE-CD1 3.98Å; M934-L946 HydrophobicContact CE-CD2 3.63Å; M934-L946 HydrophobicContact CE-CG 3.81Å; M934-I955 HydrophobicContact CE-CD1 3.47Å; M934-I955 VanDerWaalsContact CE-CD1 3.47Å; M934-I955 HydrophobicContact SD-CD1 3.76Å; M934-L970 HydrophobicContact CB-CD2 4.34Å; M934-L974 HydrophobicContact CB-CD2 4.11Å; M934-L974 HydrophobicContact CG-CD1 4.05Å; M934-L974 HydrophobicContact CG-CD2 4.41Å
935I89.9Confident83.6Confident0 Ų045.3 Ų45.30%022%0.219CC..EExtended strand (participates in β ladder)trans-118.2123.2-171.1-55.8170.4000108.3V926 V933 L946 I947 V1235 L1243 V1245V926-I935 HydrophobicContact CG1-CG1 4.28Å; V926-I935 HydrophobicContact CG2-CG1 4.28Å; V926-I935 HydrophobicContact CG2-CG2 4.37Å; V933-I935 HydrophobicContact CG1-CD1 4.02Å; V933-I935 HydrophobicContact CG1-CG1 3.86Å; I935-L946 CarbonylContact O-C 3.6Å; I935-L946 WeakPolarHBondContact O-CA 3.33Å; I935-I947 HydrophobicContact CB-CB 4.34Å; I935-I947 PolarHBondContact N-O 3.23Å; I935-I947 PolarHBondContact O-N 3.03Å; I935-V1235 HydrophobicContact CD1-CG1 3.83Å; I935-V1235 HydrophobicContact CD1-CG2 4.28Å; I935-V1235 HydrophobicContact CG1-CG1 4.29Å; I935-L1243 HydrophobicContact CD1-CD1 4.23Å; I935-L1243 HydrophobicContact CD1-CD2 3.87Å; I935-L1243 HydrophobicContact CD1-CG 4.45Å; I935-L1243 HydrophobicContact CG2-CD1 4.25Å; I935-L1243 HydrophobicContact CG2-CD2 4.4Å; I935-V1245 HydrophobicContact CD1-CG2 3.63Å
936L91.3Very high83.5Confident0 Ų044.8 Ų44.80%022%0.216CC..EExtended strand (participates in β ladder)trans-103111.1173.2-169.470.6000108.9L924 D925 L944 Q945 L946 C968 C969 L970 A977L924-L936 WeakPolarHBondContact CA-O 3.14Å; D925-L936 PolarHBondContact N-O 3.1Å; D925-L936 PolarHBondContact O-N 3.46Å; L936-L944 HydrophobicContact CD1-CD1 4.14Å; L936-L944 HydrophobicContact CD1-CD2 3.72Å; L936-L944 HydrophobicContact CD1-CG 3.68Å; L936-L944 HydrophobicContact CD2-CD1 4.3Å; L936-L944 HydrophobicContact CD2-CD2 4.15Å; L936-L944 HydrophobicContact CG-CD1 3.94Å; L936-L944 HydrophobicContact CG-CD2 4.17Å; L936-L944 HydrophobicContact CG-CG 4.06Å; L936-Q945 WeakPolarHBondContact CA-O 3.29Å; L936-L946 HydrophobicContact CD1-CB 4.42Å; L936-L946 HydrophobicContact CD1-CD1 4.24Å; L936-C968 HydrophobicContact CD2-CB 3.93Å; L936-C968 HydrophobicContact CG-CB 4.39Å; L936-C969 WeakPolarHBondContact CD2-O 3.35Å; L936-L970 HydrophobicContact CB-CB 4.43Å; L936-L970 HydrophobicContact CB-CD1 4.07Å; L936-L970 HydrophobicContact CD1-CD1 4.14Å; L936-L970 HydrophobicContact CD2-CB 4.26Å; L936-L970 HydrophobicContact CD2-CD1 3.97Å; L936-L970 HydrophobicContact CG-CD1 4.29Å; L936-A977 HydrophobicContact CD1-CB 4.37Å; L936-A977 HydrophobicContact CD2-CB 3.83Å
937A87.8Confident83.4Confident0 Ų044.5 Ų44.50%021%0.214CC..EExtended strand (participates in β ladder)trans-121.1146.7-175.400000111.4L920 Q945 I947L920-A937 HydrophobicContact CD1-CB 3.93Å; L920-A937 HydrophobicContact CD2-CB 3.63Å; L920-A937 HydrophobicContact CG-CB 4.25Å; A937-Q945 PolarHBondContact N-O 2.89Å; A937-Q945 PolarHBondContact O-N 3Å; A937-I947 HydrophobicContact CB-CD1 4.28Å
938I86.1Confident83.2Confident0 Ų044.5 Ų44.50%021%0.213CC..EExtended strand (participates in β ladder)trans-87.8121.3174.2-60.4166.8000108L920 K921 E923 L944 I965 C968L920-I938 CarbonylContact C-O 3.59Å; L920-I938 WeakPolarHBondContact CA-O 3.48Å; K921-I938 HydrophobicContact CB-CB 3.96Å; K921-I938 HydrophobicContact CB-CG2 4.25Å; K921-I938 HydrophobicContact CD-CD1 4.16Å; K921-I938 HydrophobicContact CD-CG2 4.42Å; K921-I938 PolarHBondContact N-O 2.8Å; E923-I938 HydrophobicContact CB-CD1 4.22Å; I938-L944 HydrophobicContact CG1-CD1 4.12Å; I938-I965 HydrophobicContact CD1-CB 4.45Å; I938-I965 HydrophobicContact CD1-CG2 3.73Å; I938-I965 HydrophobicContact CG1-CG2 3.88Å; I938-I965 HydrophobicContact CG2-CB 3.93Å; I938-I965 HydrophobicContact CG2-CG2 4.23Å; I938-C968 HydrophobicContact CD1-CB 4.29Å; I938-C968 HydrophobicContact CG1-CB 4.11Å
939Y77.4Confident82.9Confident31 Ų3142 Ų4212%0.12220%0.202CC..EExtended strand (participates in β ladder)trans-108.2126.2-175179.3-87.5000110.1D917 A918 L920 Q941 Q942 H943 Q945D917-Y939 HydrophobicContact CB-CE1 4.31Å; D917-Y939 WeakPolarHBondContact CB-OH 3.34Å; D917-Y939 WeakPolarHBondContact O-CE1 3.33Å; D917-Y939 VanDerWaalsContact O-CE2 3.31Å; D917-Y939 WeakPolarHBondContact O-CE2 3.44Å; D917-Y939 PolarHBondContact O-OH 3.45Å; A918-Y939 HydrophobicContact CB-CD2 4.44Å; A918-Y939 HydrophobicContact CB-CE2 3.5Å; A918-Y939 VanDerWaalsContact CB-CE2 3.5Å; A918-Y939 PolarHBondContact N-OH 2.75Å; L920-Y939 HydrophobicContact CD2-CD2 4.13Å; Y939-Q941 PolarHBondContact O-N 2.86Å; Y939-Q942 PolarHBondContact O-N 2.95Å; Y939-H943 HydrophobicContact CD1-CB 3.96Å; Y939-H943 HydrophobicContact CG-CB 4.47Å; Y939-H943 PolarHBondContact N-O 2.96Å; Y939-H943 PolarHBondContact O-N 2.99Å; Y939-Q945 HydrophobicContact CD2-CG 4.32Å; Y939-Q945 HydrophobicContact CG-CG 4.22Å
940N69.2Low82.9Confident54 Ų5439.2 Ų39.229%0.28920%0.197SC..THydrogen-bonded Turntrans52.823.4-178.7-93.43.7000114.7D917 V919 Q942D917-N940 VanDerWaalsContact CA-ND2 3.32Å; D917-N940 WeakPolarHBondContact CA-ND2 3.44Å; D917-N940 PolarHBondContact O-ND2 3.14Å; D917-N940 PolarHBondContact O-OD1 3.15Å; D917-N940 PolarHBondContact OD1-ND2 2.68Å; V919-N940 PolarHBondContact O-N 3.13Å; V919-N940 VanDerWaalsContact O-N 3.11Å; N940-Q942 PolarHBondContact O-N 3.17Å
941Q76.8Confident83.3Confident98 Ų9836.3 Ų36.346%0.45818%0.184SC..THydrogen-bonded Turntrans59.7-2.3-174.8-51.2176.62.800115.4Y939 L964 I965Y939-Q941 PolarHBondContact O-N 2.86Å; Q941-L964 HydrophobicContact CB-CD2 3.98Å; Q941-L964 CarbonylContact O-C 3.54Å; Q941-L964 WeakPolarHBondContact O-CA 3.33Å; Q941-I965 PolarHBondContact O-N 3.04Å
942Q81.1Confident83.6Confident77 Ų7732 Ų3236%0.3616%0.161SC..THydrogen-bonded Turntrans-122.1-15.4-176.3-69.9-175.6-9.800113.7Y939 N940 Q961 L964Y939-Q942 PolarHBondContact O-N 2.95Å; N940-Q942 PolarHBondContact O-N 3.17Å; Q942-Q961 WeakPolarHBondContact O-CB 3.4Å; Q942-Q961 WeakPolarHBondContact O-CG 3.3Å; Q942-Q961 PolarHBondContact O-N 3.04Å; Q942-L964 HydrophobicContact CG-CD2 3.84Å
943H83.8Confident83.5Confident37 Ų3729.6 Ų29.617%0.17116%0.156CC..EExtended strand (participates in β ladder)trans-118155.6179.6-60-90.3000110.7Y939 T958 A960Y939-H943 HydrophobicContact CD1-CB 3.96Å; Y939-H943 HydrophobicContact CG-CB 4.47Å; Y939-H943 PolarHBondContact N-O 2.96Å; Y939-H943 PolarHBondContact O-N 2.99Å; H943-T958 PolarHBondContact ND1-O 2.78Å; H943-A960 WeakPolarHBondContact CE1-CA 3.28Å; H943-A960 VanDerWaalsContact CE1-CB 3.45Å; H943-A960 WeakPolarHBondContact CE1-CB 3.21Å; H943-A960 PolarHBondContact CE1-N 2.71Å; H943-A960 VanDerWaalsContact CE1-N 3.35Å; H943-A960 PolarHBondContact ND1-N 3Å
944L87.9Confident83.3Confident0 Ų033 Ų330%018%0.177CC..EExtended strand (participates in β ladder)trans-115131.3169.8-165.274.3000108.6L936 I938 Q957 T958 I965 C968 A977 F979 L989L936-L944 HydrophobicContact CD1-CD1 4.14Å; L936-L944 HydrophobicContact CD1-CD2 3.72Å; L936-L944 HydrophobicContact CD1-CG 3.68Å; L936-L944 HydrophobicContact CD2-CD1 4.3Å; L936-L944 HydrophobicContact CD2-CD2 4.15Å; L936-L944 HydrophobicContact CG-CD1 3.94Å; L936-L944 HydrophobicContact CG-CD2 4.17Å; L936-L944 HydrophobicContact CG-CG 4.06Å; I938-L944 HydrophobicContact CG1-CD1 4.12Å; L944-Q957 WeakPolarHBondContact O-CA 3.26Å; L944-T958 HydrophobicContact CB-CG2 3.92Å; L944-T958 PolarHBondContact N-OG1 3.06Å; L944-T958 PolarHBondContact O-N 2.61Å; L944-I965 HydrophobicContact CB-CD1 4.47Å; L944-C968 HydrophobicContact CD1-CB 3.67Å; L944-A977 HydrophobicContact CD2-CB 4.48Å; L944-F979 HydrophobicContact CD2-CD1 3.92Å; L944-L989 HydrophobicContact CD2-CD2 3.5Å
945Q87.7Confident83.1Confident13 Ų1336.4 Ų36.46%0.06120%0.195CC..EExtended strand (participates in β ladder)trans-119.7134.9178.2-75.7-177-18.800110.8L936 A937 Y939 I947 V954 M956 Q957L936-Q945 WeakPolarHBondContact CA-O 3.29Å; A937-Q945 PolarHBondContact N-O 2.89Å; A937-Q945 PolarHBondContact O-N 3Å; Y939-Q945 HydrophobicContact CD2-CG 4.32Å; Y939-Q945 HydrophobicContact CG-CG 4.22Å; Q945-I947 HydrophobicContact CB-CG1 4.27Å; Q945-V954 HydrophobicContact CB-CG1 4.46Å; Q945-V954 HydrophobicContact CG-CG1 4.29Å; Q945-M956 WeakPolarHBondContact CA-O 3.44Å; Q945-Q957 HydrophobicContact CG-CB 4.14Å; Q945-Q957 HydrophobicContact CG-CG 3.93Å
946L88.9Confident82.9Confident6 Ų637.2 Ų37.23%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-101.7117.9168.2-175.768.9000108.7M934 I935 L936 I955 M956 L970 L991M934-L946 HydrophobicContact CE-CD1 3.98Å; M934-L946 HydrophobicContact CE-CD2 3.63Å; M934-L946 HydrophobicContact CE-CG 3.81Å; I935-L946 CarbonylContact O-C 3.6Å; I935-L946 WeakPolarHBondContact O-CA 3.33Å; L936-L946 HydrophobicContact CD1-CB 4.42Å; L936-L946 HydrophobicContact CD1-CD1 4.24Å; L946-I955 HydrophobicContact CD2-CB 4.35Å; L946-I955 HydrophobicContact CD2-CG2 4.24Å; L946-I955 HydrophobicContact CG-CB 4.48Å; L946-I955 PolarHBondContact O-N 3.23Å; L946-M956 HydrophobicContact CB-CB 4.13Å; L946-M956 HydrophobicContact CB-CE 4.31Å; L946-M956 PolarHBondContact N-O 3Å; L946-M956 PolarHBondContact O-N 3.12Å; L946-L970 HydrophobicContact CD1-CD1 3.95Å; L946-L970 HydrophobicContact CD1-CD2 4.36Å; L946-L991 HydrophobicContact CD2-CD2 3.91Å
947I87.4Confident82.6Confident8 Ų841.6 Ų41.64%0.04122%0.219CC..EExtended strand (participates in β ladder)trans-116.9133.8-172.6-52.7171.8000108.7L920 I935 A937 Q945 V954 L1243L920-I947 HydrophobicContact CD1-CD1 4.32Å; I935-I947 HydrophobicContact CB-CB 4.34Å; I935-I947 PolarHBondContact N-O 3.23Å; I935-I947 PolarHBondContact O-N 3.03Å; A937-I947 HydrophobicContact CB-CD1 4.28Å; Q945-I947 HydrophobicContact CB-CG1 4.27Å; I947-V954 HydrophobicContact CG1-CG2 4.49Å; I947-L1243 HydrophobicContact CD1-CD2 4.25Å
948N86.8Confident82.4Confident23 Ų2342 Ų4212%0.12322%0.222CC..EExtended strand (participates in β ladder)trans-82.2111.5165.9-174.2-32.6000108.8V933 N950 T951 D952 S953 I955V933-N948 CarbonylContact O-C 3.5Å; N948-N950 PolarHBondContact O-N 2.97Å; N948-N950 PolarHBondContact OD1-N 2.98Å; N948-T951 WeakPolarHBondContact CB-OG1 3.37Å; N948-T951 PolarHBondContact O-N 2.96Å; N948-D952 WeakPolarHBondContact O-CA 3.07Å; N948-D952 PolarHBondContact O-N 3.44Å; N948-S953 PolarHBondContact N-O 3.19Å; N948-I955 HydrophobicContact CB-CD1 3.84Å; N948-I955 HydrophobicContact CB-CG1 4.42Å
949G80.4Confident82.3Confident0 Ų050.1 Ų50.10%026%0.26CS..THydrogen-bonded Turntrans-65.8-20.7-175.900000114.9V933V933-G949 PolarHBondContact O-N 3.15Å
950N81.7Confident82.3Confident64 Ų6451.5 Ų51.534%0.34228%0.277SS..THydrogen-bonded Turntrans-80.7-35179.8-67.4-7.8000112.3I596 D931 V933 N948I596-N950 WeakPolarHBondContact CG2-O 3.46Å; D931-N950 PolarHBondContact O-ND2 2.75Å; V933-N950 WeakPolarHBondContact CG2-OD1 3.41Å; N948-N950 PolarHBondContact O-N 2.97Å; N948-N950 PolarHBondContact OD1-N 2.98Å
951T77.1Confident83Confident93 Ų9349.9 Ų49.957%0.57127%0.268SS*.THydrogen-bonded Turntrans-107.6-9.4-177.953.30000113.3N948 S953N948-T951 WeakPolarHBondContact CB-OG1 3.37Å; N948-T951 PolarHBondContact O-N 2.96Å; T951-S953 PolarHBondContact O-N 3.06Å; T951-S953 VanDerWaalsContact O-N 3.15Å; T951-S953 PolarHBondContact OG1-OG 3.34Å
952D73.8Confident83.1Confident40 Ų4054.9 Ų54.921%0.21429%0.291CS..THydrogen-bonded Turntrans52.524.4-170-154.456.2000114.3N597 S600 N948N597-D952 HydrophobicContact CB-CB 3.8Å; N597-D952 WeakPolarHBondContact CB-OD1 3.26Å; N597-D952 PolarHBondContact ND2-OD1 3.13Å; S600-D952 WeakPolarHBondContact CB-OD2 3.3Å; S600-D952 PolarHBondContact OG-OD2 3.25Å; N948-D952 WeakPolarHBondContact O-CA 3.07Å; N948-D952 PolarHBondContact O-N 3.44Å
953S80.9Confident83.2Confident57 Ų5752.1 Ų52.140%0.39928%0.281SS..EExtended strand (participates in β ladder)trans-86.4129.8178.859.40000110.7N948 T951 I955N948-S953 PolarHBondContact N-O 3.19Å; T951-S953 PolarHBondContact O-N 3.06Å; T951-S953 VanDerWaalsContact O-N 3.15Å; T951-S953 PolarHBondContact OG1-OG 3.34Å; S953-I955 PolarHBondContact O-N 3.49Å
954V83.2Confident83.2Confident74 Ų7452.9 Ų52.945%0.44829%0.286SS..EExtended strand (participates in β ladder)trans-71.2116.4170.6-176.10000109.1Q945 I947 Q957Q945-V954 HydrophobicContact CB-CG1 4.46Å; Q945-V954 HydrophobicContact CG-CG1 4.29Å; I947-V954 HydrophobicContact CG1-CG2 4.49Å; V954-Q957 HydrophobicContact CG1-CB 4.42Å
955I85.3Confident83.3Confident90 Ų9053 Ų5346%0.46229%0.286SS..EExtended strand (participates in β ladder)trans-84.4-40.7179.2-66.7167.8000110.5M934 L946 N948 S953M934-I955 HydrophobicContact CE-CD1 3.47Å; M934-I955 VanDerWaalsContact CE-CD1 3.47Å; M934-I955 HydrophobicContact SD-CD1 3.76Å; L946-I955 HydrophobicContact CD2-CB 4.35Å; L946-I955 HydrophobicContact CD2-CG2 4.24Å; L946-I955 HydrophobicContact CG-CB 4.48Å; L946-I955 PolarHBondContact O-N 3.23Å; N948-I955 HydrophobicContact CB-CD1 3.84Å; N948-I955 HydrophobicContact CB-CG1 4.42Å; S953-I955 PolarHBondContact O-N 3.49Å
956M85.6Confident83.2Confident16 Ų1653.2 Ų53.28%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-146.4141.7-177.1-177.7-80.8-6900110Q945 L946 T958 L989 L991Q945-M956 WeakPolarHBondContact CA-O 3.44Å; L946-M956 HydrophobicContact CB-CB 4.13Å; L946-M956 HydrophobicContact CB-CE 4.31Å; L946-M956 PolarHBondContact N-O 3Å; L946-M956 PolarHBondContact O-N 3.12Å; M956-T958 HydrophobicContact CE-CG2 4.28Å; M956-T958 HydrophobicContact SD-CG2 3.77Å; M956-L989 HydrophobicContact CE-CD1 3.61Å; M956-L991 HydrophobicContact CE-CD2 3.7Å
957Q85.5Confident83.2Confident92 Ų9253 Ų5343%0.4329%0.288SS..EExtended strand (participates in β ladder)trans-134.8133.8170.1179.3171.2-1800109.7L944 Q945 V954L944-Q957 WeakPolarHBondContact O-CA 3.26Å; Q945-Q957 HydrophobicContact CG-CB 4.14Å; Q945-Q957 HydrophobicContact CG-CG 3.93Å; V954-Q957 HydrophobicContact CG1-CB 4.42Å
958T84.8Confident83.5Confident9 Ų953 Ų536%0.05529%0.288CS..PPolyproline II helixtrans-81.6157.7177.165.50000112.2H943 L944 M956 L989H943-T958 PolarHBondContact ND1-O 2.78Å; L944-T958 HydrophobicContact CB-CG2 3.92Å; L944-T958 PolarHBondContact N-OG1 3.06Å; L944-T958 PolarHBondContact O-N 2.61Å; M956-T958 HydrophobicContact CE-CG2 4.28Å; M956-T958 HydrophobicContact SD-CG2 3.77Å; T958-L989 HydrophobicContact CG2-CD2 4.5Å
959E82.1Confident83.7Confident171 Ų17152.1 Ų52.180%0.79928%0.284SS*.PPolyproline II helixtrans-59.8155.3165.8-65.7-179.1177.400111.6Q961E959-Q961 PolarHBondContact O-N 2.83Å; E959-Q961 PolarHBondContact O-NE2 3.29Å
960A79.4Confident84.3Confident59 Ų5952.5 Ų52.549%0.48829%0.286SS..PPolyproline II helixtrans-60.2129.6178.700000110.2H943H943-A960 WeakPolarHBondContact CE1-CA 3.28Å; H943-A960 VanDerWaalsContact CE1-CB 3.45Å; H943-A960 WeakPolarHBondContact CE1-CB 3.21Å; H943-A960 PolarHBondContact CE1-N 2.71Å; H943-A960 VanDerWaalsContact CE1-N 3.35Å; H943-A960 PolarHBondContact ND1-N 3Å
961Q82.9Confident84.7Confident21 Ų2149.4 Ų49.410%0.09827%0.27CS..PPolyproline II helixtrans-87.4145.3176.9-60-55.4-62.100111.4Q942 E959 S963 I965 F979Q942-Q961 WeakPolarHBondContact O-CB 3.4Å; Q942-Q961 WeakPolarHBondContact O-CG 3.3Å; Q942-Q961 PolarHBondContact O-N 3.04Å; E959-Q961 PolarHBondContact O-N 2.83Å; E959-Q961 PolarHBondContact O-NE2 3.29Å; Q961-S963 VanDerWaalsContact C-N 3.27Å; Q961-S963 PolarHBondContact O-N 3.06Å; Q961-I965 HydrophobicContact CB-CG1 4.49Å; Q961-I965 HydrophobicContact CG-CD1 3.99Å; Q961-I965 HydrophobicContact CG-CG1 4.27Å; Q961-F979 HydrophobicContact CG-CE2 3.96Å; Q961-F979 HydrophobicContact CG-CZ 4.16Å
962E79.1Confident85Confident202 Ų20251.3 Ų51.394%0.94427%0.272SS*.SBendtrans-65-28.1179.4-64.4178.1173.100113.7
963S83.2Confident85.6Confident20 Ų2051.4 Ų51.414%0.1427%0.273CS..SBendtrans-122.6149.6178.2-176.20000110.2Q961 N983Q961-S963 VanDerWaalsContact C-N 3.27Å; Q961-S963 PolarHBondContact O-N 3.06Å; S963-N983 WeakPolarHBondContact CB-ND2 3.2Å; S963-N983 PolarHBondContact OG-N 3.49Å
964L84.3Confident85.8Confident53 Ų5350.4 Ų50.428%0.27726%0.263SS..  trans-64133.6-175.3-57-179.1000111.5Q941 Q942 Q981 E982Q941-L964 HydrophobicContact CB-CD2 3.98Å; Q941-L964 CarbonylContact O-C 3.54Å; Q941-L964 WeakPolarHBondContact O-CA 3.33Å; Q942-L964 HydrophobicContact CG-CD2 3.84Å; L964-Q981 CarbonylContact O-C 3.59Å; L964-Q981 VanDerWaalsContact O-CA 3.26Å; L964-Q981 WeakPolarHBondContact O-CA 3.49Å; L964-E982 HydrophobicContact CB-CB 4.36Å; L964-E982 WeakPolarHBondContact CD1-OE2 3.43Å; L964-E982 PolarHBondContact O-N 3.45Å
965I88.4Confident86Confident1 Ų152.8 Ų52.81%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-77.9123.1176.4-53.2177000108.8K921 I938 Q941 L944 Q961 F979 G980K921-I965 PolarHBondContact NZ-O 2.63Å; I938-I965 HydrophobicContact CD1-CB 4.45Å; I938-I965 HydrophobicContact CD1-CG2 3.73Å; I938-I965 HydrophobicContact CG1-CG2 3.88Å; I938-I965 HydrophobicContact CG2-CB 3.93Å; I938-I965 HydrophobicContact CG2-CG2 4.23Å; Q941-I965 PolarHBondContact O-N 3.04Å; L944-I965 HydrophobicContact CB-CD1 4.47Å; Q961-I965 HydrophobicContact CB-CG1 4.49Å; Q961-I965 HydrophobicContact CG-CD1 3.99Å; Q961-I965 HydrophobicContact CG-CG1 4.27Å; I965-F979 HydrophobicContact CD1-CD2 4.07Å; I965-F979 HydrophobicContact CD1-CE2 4.22Å; I965-F979 HydrophobicContact CG1-CD2 4.03Å; I965-F979 HydrophobicContact CG1-CE2 4.3Å; I965-F979 HydrophobicContact CG2-CB 3.87Å; I965-F979 HydrophobicContact CG2-CD2 4.01Å; I965-F979 HydrophobicContact CG2-CG 4.29Å; I965-G980 WeakPolarHBondContact CA-O 3.27Å
966C86.8Confident86.3Confident19 Ų1950.1 Ų50.113%0.12825%0.252CS..EExtended strand (participates in β ladder)trans-96.1-43.8-174.8-69.30000112.4K921 G980 E982 S1006 V1007K921-C966 PolarHBondContact NZ-O 2.68Å; C966-G980 PolarHBondContact N-O 2.79Å; C966-E982 VanDerWaalsContact SG-CA 3.59Å; C966-E982 PolarHBondContact SG-N 2.64Å; C966-S1006 PolarHBondContact SG-OG 2.63Å; C966-V1007 WeakPolarHBondContact CB-O 3.3Å
967C89.1Confident86.6Confident1 Ų149.4 Ų49.41%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-142.7158.9-179.165.80000111.7F979 G980 Q1008 C1010C967-F979 VanDerWaalsContact O-CA 3.27Å; C967-F979 WeakPolarHBondContact O-CA 3.34Å; C967-F979 WeakPolarHBondContact O-CB 3.24Å; C967-G980 PolarHBondContact O-N 2.85Å; C967-Q1008 WeakPolarHBondContact CB-O 3.49Å; C967-C1010 VanDerWaalsContact SG-SG 3.64Å
968C93.1Very high86.9Confident7 Ų745 Ų455%0.04723%0.228CC..EExtended strand (participates in β ladder)trans-138.8155.8177.4610000111.4L936 I938 L944 A978 F979L936-C968 HydrophobicContact CD2-CB 3.93Å; L936-C968 HydrophobicContact CG-CB 4.39Å; I938-C968 HydrophobicContact CD1-CB 4.29Å; I938-C968 HydrophobicContact CG1-CB 4.11Å; L944-C968 HydrophobicContact CD1-CB 3.67Å; C968-A978 CarbonylContact C-O 3.59Å; C968-A978 WeakPolarHBondContact CA-O 3.26Å; C968-F979 HydrophobicContact CB-CB 4.45Å
969C92Very high87.3Confident6 Ų644.6 Ų44.64%0.04123%0.225CC..EExtended strand (participates in β ladder)trans-147.9139.1176.61770000110.7D925 L936 A977 A978 C1010D925-C969 WeakPolarHBondContact OD2-CA 3.27Å; L936-C969 WeakPolarHBondContact CD2-O 3.35Å; C969-A977 CarbonylContact O-C 3.57Å; C969-A977 WeakPolarHBondContact O-CA 3.19Å; C969-A978 PolarHBondContact N-O 3.3Å; C969-A978 PolarHBondContact O-N 3.29Å; C969-C1010 WeakPolarHBondContact CB-O 3.46Å
970L92.1Very high87.8Confident7 Ų736.4 Ų36.44%0.03719%0.187CC..EExtended strand (participates in β ladder)trans-104139.9176.4-158.172000110D925 V927 M934 L936 L946 L974 A977 L991D925-L970 PolarHBondContact OD2-N 3.23Å; V927-L970 HydrophobicContact CB-CD2 3.88Å; V927-L970 HydrophobicContact CG2-CB 4.1Å; V927-L970 HydrophobicContact CG2-CD2 3.63Å; V927-L970 HydrophobicContact CG2-CG 4.2Å; M934-L970 HydrophobicContact CB-CD2 4.34Å; L936-L970 HydrophobicContact CB-CB 4.43Å; L936-L970 HydrophobicContact CB-CD1 4.07Å; L936-L970 HydrophobicContact CD1-CD1 4.14Å; L936-L970 HydrophobicContact CD2-CB 4.26Å; L936-L970 HydrophobicContact CD2-CD1 3.97Å; L936-L970 HydrophobicContact CG-CD1 4.29Å; L946-L970 HydrophobicContact CD1-CD1 3.95Å; L946-L970 HydrophobicContact CD1-CD2 4.36Å; L970-L974 HydrophobicContact CD2-CD2 3.31Å; L970-L974 HydrophobicContact CG-CD2 3.97Å; L970-A977 HydrophobicContact CD1-CB 4.1Å; L970-L991 HydrophobicContact CD1-CD1 3.63Å; L970-L991 HydrophobicContact CD1-CD2 4.09Å; L970-L991 HydrophobicContact CD1-CG 4.47Å; L970-L991 HydrophobicContact CG-CD1 4.48Å
971S90.7Very high88.4Confident0 Ų033.8 Ų33.80%017%0.165CC..  trans-72.7145.6170.957.80000111.4D973 L974 K975 F976S971-D973 PolarHBondContact O-N 3.44Å; S971-D973 PolarHBondContact OG-OD1 3.13Å; S971-D973 VanDerWaalsContact OG-OD1 3.05Å; S971-L974 PolarHBondContact O-N 3.25Å; S971-L974 VanDerWaalsContact O-N 3.09Å; S971-K975 PolarHBondContact OG-N 2.67Å; S971-F976 VanDerWaalsContact CB-O 3.3Å; S971-F976 WeakPolarHBondContact CB-O 3.5Å; S971-F976 PolarHBondContact N-O 2.96Å; S971-F976 WeakPolarHBondContact OG-CA 3.48Å; S971-F976 PolarHBondContact OG-N 2.94Å; S971-F976 PolarHBondContact OG-O 3.49Å
972E83.6Confident88.6Confident133 Ų13337.7 Ų37.762%0.62118%0.183SC*.THydrogen-bonded Turntrans-61.6-30.4178-67.8-173.2171.400112.7L974E972-L974 PolarHBondContact O-N 3.16Å
973D84.9Confident89.1Confident41 Ų4131.6 Ų31.622%0.21916%0.157CC..THydrogen-bonded Turntrans-80.2-5.9179.682.1-17.3000113.9R929 S971 K975R929-D973 PolarHBondContact NH1-O 3.04Å; S971-D973 PolarHBondContact O-N 3.44Å; S971-D973 PolarHBondContact OG-OD1 3.13Å; S971-D973 VanDerWaalsContact OG-OD1 3.05Å; D973-K975 PolarHBondContact O-N 3.3Å; D973-K975 WeakPolarHBondContact OD1-CB 3.47Å; D973-K975 PolarHBondContact OD1-N 3.08Å; D973-K975 WeakPolarHBondContact OD2-CD 3.46Å; D973-K975 WeakPolarHBondContact OD2-CE 3.5Å; D973-K975 WeakPolarHBondContact OD2-CG 3.26Å; D973-K975 IonicContact OD2-NZ 3.32Å; D973-K975 PolarHBondContact OD2-NZ 3.33Å
974L85.7Confident89.3Confident36 Ų3630.7 Ų30.719%0.18815%0.15CC..SBendtrans59.926.2-177.1-59.4174000114V927 M934 L970 S971 E972 L991V927-L974 HydrophobicContact CB-CD2 3.91Å; V927-L974 HydrophobicContact CG1-CD2 3.89Å; V927-L974 HydrophobicContact CG1-CG 4.32Å; V927-L974 HydrophobicContact CG2-CD2 4.32Å; M934-L974 HydrophobicContact CB-CD2 4.11Å; M934-L974 HydrophobicContact CG-CD1 4.05Å; M934-L974 HydrophobicContact CG-CD2 4.41Å; L970-L974 HydrophobicContact CD2-CD2 3.31Å; L970-L974 HydrophobicContact CG-CD2 3.97Å; S971-L974 PolarHBondContact O-N 3.25Å; S971-L974 VanDerWaalsContact O-N 3.09Å; E972-L974 PolarHBondContact O-N 3.16Å; L974-L991 VanDerWaalsContact C-CD1 3.47Å; L974-L991 VanDerWaalsContact O-CD1 3.25Å; L974-L991 WeakPolarHBondContact O-CD1 3.38Å
975K87.2Confident89.7Confident124 Ų12428.8 Ų28.854%0.53914%0.141SC..SBendtrans-98.3-29.6174.8-62.7-174.9-161.8142.10113.2S971 D973 L991S971-K975 PolarHBondContact OG-N 2.67Å; D973-K975 PolarHBondContact O-N 3.3Å; D973-K975 WeakPolarHBondContact OD1-CB 3.47Å; D973-K975 PolarHBondContact OD1-N 3.08Å; D973-K975 WeakPolarHBondContact OD2-CD 3.46Å; D973-K975 WeakPolarHBondContact OD2-CE 3.5Å; D973-K975 WeakPolarHBondContact OD2-CG 3.26Å; D973-K975 IonicContact OD2-NZ 3.32Å; D973-K975 PolarHBondContact OD2-NZ 3.33Å; K975-L991 PolarHBondContact O-N 3.39Å
976F91.7Very high89.8Confident35 Ų3528.8 Ų28.815%0.15414%0.141CC..EExtended strand (participates in β ladder)trans-125.2154.3-175.1-51.2-70.9000112.4S971 L989 L991 L997 F1012 W1033S971-F976 VanDerWaalsContact CB-O 3.3Å; S971-F976 WeakPolarHBondContact CB-O 3.5Å; S971-F976 PolarHBondContact N-O 2.96Å; S971-F976 WeakPolarHBondContact OG-CA 3.48Å; S971-F976 PolarHBondContact OG-N 2.94Å; S971-F976 PolarHBondContact OG-O 3.49Å; F976-L989 VanDerWaalsContact CA-O 3.3Å; F976-L989 WeakPolarHBondContact CA-O 3.43Å; F976-L991 WeakPolarHBondContact O-CD1 3.24Å; F976-L997 HydrophobicContact CD1-CD1 3.81Å; F976-L997 HydrophobicContact CE1-CD1 3.7Å; F976-F1012 HydrophobicContact CB-CZ 4.28Å; F976-W1033 HydrophobicContact CD1-CH2 4.04Å; F976-W1033 HydrophobicContact CD1-CZ2 4.3Å; F976-W1033 HydrophobicContact CD2-CZ2 4.21Å; F976-W1033 AromaticContact CE1-CH2 3.78Å; F976-W1033 HydrophobicContact CE1-CH2 3.78Å; F976-W1033 HydrophobicContact CE1-CZ2 4.32Å; F976-W1033 HydrophobicContact CE2-CH2 4.37Å; F976-W1033 HydrophobicContact CE2-CZ2 4.22Å; F976-W1033 HydrophobicContact CG-CH2 4.44Å; F976-W1033 HydrophobicContact CG-CZ2 4.25Å; F976-W1033 AromaticContact CZ-CH2 3.96Å; F976-W1033 HydrophobicContact CZ-CH2 3.96Å; F976-W1033 HydrophobicContact CZ-CZ2 4.27Å
977A92.1Very high90.1Very high0 Ų029.5 Ų29.50%014%0.142CC..EExtended strand (participates in β ladder)trans-135.9154166.200000109.5L936 L944 C969 L970 V988 L989 L991L936-A977 HydrophobicContact CD1-CB 4.37Å; L936-A977 HydrophobicContact CD2-CB 3.83Å; L944-A977 HydrophobicContact CD2-CB 4.48Å; C969-A977 CarbonylContact O-C 3.57Å; C969-A977 WeakPolarHBondContact O-CA 3.19Å; L970-A977 HydrophobicContact CD1-CB 4.1Å; A977-V988 CarbonylContact O-C 3.58Å; A977-V988 WeakPolarHBondContact O-CA 3.46Å; A977-L989 HydrophobicContact CB-CD1 4.08Å; A977-L989 HydrophobicContact CB-CD2 3.9Å; A977-L989 HydrophobicContact CB-CG 3.86Å; A977-L989 PolarHBondContact N-O 3.26Å; A977-L989 PolarHBondContact O-N 3.3Å; A977-L991 HydrophobicContact CB-CD2 3.76Å; A977-L991 HydrophobicContact CB-CG 4.23Å
978A92.3Very high90.3Very high0 Ų029.5 Ų29.50%014%0.142CC..EExtended strand (participates in β ladder)trans-127.5150.5175.200000110.4C968 C969 K987 V988 F1012 L1019C968-A978 CarbonylContact C-O 3.59Å; C968-A978 WeakPolarHBondContact CA-O 3.26Å; C969-A978 PolarHBondContact N-O 3.3Å; C969-A978 PolarHBondContact O-N 3.29Å; A978-K987 CarbonylContact C-O 3.56Å; A978-K987 WeakPolarHBondContact CA-O 3.31Å; A978-V988 HydrophobicContact CB-CG2 4.16Å; A978-F1012 HydrophobicContact CB-CE2 3.67Å; A978-F1012 HydrophobicContact CB-CZ 3.68Å; A978-L1019 HydrophobicContact CB-CD1 3.68Å; A978-L1019 HydrophobicContact CB-CD2 3.75Å; A978-L1019 HydrophobicContact CB-CG 4.41Å
979F92.9Very high90.2Very high0 Ų029.1 Ų29.10%014%0.14CC..EExtended strand (participates in β ladder)trans-147.8148.5173.362.8-89.8000111.4L944 Q961 I965 C967 C968 Q981 I986 K987 L989L944-F979 HydrophobicContact CD2-CD1 3.92Å; Q961-F979 HydrophobicContact CG-CE2 3.96Å; Q961-F979 HydrophobicContact CG-CZ 4.16Å; I965-F979 HydrophobicContact CD1-CD2 4.07Å; I965-F979 HydrophobicContact CD1-CE2 4.22Å; I965-F979 HydrophobicContact CG1-CD2 4.03Å; I965-F979 HydrophobicContact CG1-CE2 4.3Å; I965-F979 HydrophobicContact CG2-CB 3.87Å; I965-F979 HydrophobicContact CG2-CD2 4.01Å; I965-F979 HydrophobicContact CG2-CG 4.29Å; C967-F979 VanDerWaalsContact O-CA 3.27Å; C967-F979 WeakPolarHBondContact O-CA 3.34Å; C967-F979 WeakPolarHBondContact O-CB 3.24Å; C968-F979 HydrophobicContact CB-CB 4.45Å; F979-Q981 HydrophobicContact CD2-CG 4.32Å; F979-Q981 HydrophobicContact CE2-CG 4.29Å; F979-I986 WeakPolarHBondContact O-CA 3.28Å; F979-K987 HydrophobicContact CD1-CB 4.31Å; F979-K987 HydrophobicContact CD2-CB 4.4Å; F979-K987 HydrophobicContact CE1-CB 3.78Å; F979-K987 HydrophobicContact CE2-CB 3.89Å; F979-K987 HydrophobicContact CE2-CD 3.8Å; F979-K987 HydrophobicContact CE2-CG 4.2Å; F979-K987 HydrophobicContact CZ-CB 3.57Å; F979-K987 HydrophobicContact CZ-CD 3.62Å; F979-K987 HydrophobicContact CZ-CG 4.12Å; F979-K987 PolarHBondContact N-O 3.21Å; F979-K987 PolarHBondContact O-N 3Å; F979-L989 HydrophobicContact CD1-CD2 3.54Å; F979-L989 HydrophobicContact CE1-CD2 3.49Å; F979-L989 VanDerWaalsContact CE1-CD2 3.49Å
980G92.2Very high90.1Very high0 Ų032.2 Ų32.20%015%0.153CC..EExtended strand (participates in β ladder)trans-107.2147.8177.900000111.6I965 C966 C967 T985I965-G980 WeakPolarHBondContact CA-O 3.27Å; C966-G980 PolarHBondContact N-O 2.79Å; C967-G980 PolarHBondContact O-N 2.85Å; G980-T985 CarbonylContact C-O 3.6Å; G980-T985 WeakPolarHBondContact CA-O 3.47Å
981Q92Very high89.8Confident4 Ų432.5 Ų32.52%0.01916%0.155CC..EExtended strand (participates in β ladder)trans-113.9162.2-177.8-65.4-170.9-23.800112.6L964 F979 N983 G984 T985 V1007L964-Q981 CarbonylContact O-C 3.59Å; L964-Q981 VanDerWaalsContact O-CA 3.26Å; L964-Q981 WeakPolarHBondContact O-CA 3.49Å; F979-Q981 HydrophobicContact CD2-CG 4.32Å; F979-Q981 HydrophobicContact CE2-CG 4.29Å; Q981-N983 VanDerWaalsContact C-N 3.28Å; Q981-N983 WeakPolarHBondContact CB-OD1 3.38Å; Q981-N983 PolarHBondContact O-N 3.19Å; Q981-N983 PolarHBondContact OE1-ND2 2.97Å; Q981-G984 PolarHBondContact O-N 3.05Å; Q981-T985 PolarHBondContact N-O 2.99Å; Q981-T985 PolarHBondContact OE1-OG1 3.13Å; Q981-V1007 PolarHBondContact O-N 2.66Å
982E87.8Confident89.4Confident103 Ų10337 Ų3748%0.48119%0.187SC..THydrogen-bonded Turntrans-64.9-32.4179.9-168.6179.7-170.500112.7L964 C966 G984 S1006L964-E982 HydrophobicContact CB-CB 4.36Å; L964-E982 WeakPolarHBondContact CD1-OE2 3.43Å; L964-E982 PolarHBondContact O-N 3.45Å; C966-E982 VanDerWaalsContact SG-CA 3.59Å; C966-E982 PolarHBondContact SG-N 2.64Å; E982-G984 PolarHBondContact O-N 2.87Å; E982-G984 VanDerWaalsContact O-N 3.17Å; E982-S1006 VanDerWaalsContact O-CA 3.22Å; E982-S1006 WeakPolarHBondContact O-CA 3.45Å; E982-S1006 PolarHBondContact O-N 2.98Å
983N88.3Confident89.3Confident74 Ų7434.5 Ų34.540%0.39618%0.177SC..THydrogen-bonded Turntrans-70.5-0.7172.766.15.5000114S963 Q981 T985S963-N983 WeakPolarHBondContact CB-ND2 3.2Å; S963-N983 PolarHBondContact OG-N 3.49Å; Q981-N983 VanDerWaalsContact C-N 3.28Å; Q981-N983 WeakPolarHBondContact CB-OD1 3.38Å; Q981-N983 PolarHBondContact O-N 3.19Å; Q981-N983 PolarHBondContact OE1-ND2 2.97Å; N983-T985 WeakPolarHBondContact OD1-CB 3.13Å; N983-T985 WeakPolarHBondContact OD1-CG2 3.4Å; N983-T985 PolarHBondContact OD1-N 2.85Å; N983-T985 PolarHBondContact OD1-OG1 2.9Å
984G87.9Confident89Confident0 Ų033.1 Ų33.10%017%0.173CC..SBendtrans86.86.1179.400000115.2Q981 E982 A1002 Y1003 T1005Q981-G984 PolarHBondContact O-N 3.05Å; E982-G984 PolarHBondContact O-N 2.87Å; E982-G984 VanDerWaalsContact O-N 3.17Å; G984-A1002 PolarHBondContact O-N 2.9Å; G984-Y1003 WeakPolarHBondContact CA-O 3.2Å; G984-Y1003 PolarHBondContact O-N 2.68Å; G984-T1005 WeakPolarHBondContact CA-O 3.46Å
985T92.3Very high89Confident13 Ų1338 Ų388%0.0819%0.192CC..EExtended strand (participates in β ladder)trans-83.7149.8176.467.90000112.5G980 Q981 N983 W1000 E1001G980-T985 CarbonylContact C-O 3.6Å; G980-T985 WeakPolarHBondContact CA-O 3.47Å; Q981-T985 PolarHBondContact N-O 2.99Å; Q981-T985 PolarHBondContact OE1-OG1 3.13Å; N983-T985 WeakPolarHBondContact OD1-CB 3.13Å; N983-T985 WeakPolarHBondContact OD1-CG2 3.4Å; N983-T985 PolarHBondContact OD1-N 2.85Å; N983-T985 PolarHBondContact OD1-OG1 2.9Å; T985-W1000 CarbonylContact C-O 3.6Å; T985-W1000 WeakPolarHBondContact CA-O 3.28Å; T985-E1001 HydrophobicContact CG2-CB 4.49Å; T985-E1001 HydrophobicContact CG2-CG 3.97Å
986I92.3Very high89Confident1 Ų134.9 Ų34.91%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-122.9134.6177.5-59.6175.9000108.7F979 T999 W1000 A1002 Y1003 V1007 L1019 S1021 W1031F979-I986 WeakPolarHBondContact O-CA 3.28Å; I986-T999 CarbonylContact O-C 3.57Å; I986-T999 WeakPolarHBondContact O-CA 3.48Å; I986-W1000 PolarHBondContact N-O 2.66Å; I986-W1000 PolarHBondContact O-N 2.95Å; I986-A1002 HydrophobicContact CD1-CB 3.55Å; I986-A1002 HydrophobicContact CG1-CB 3.91Å; I986-Y1003 HydrophobicContact CD1-CD2 4.47Å; I986-Y1003 HydrophobicContact CD1-CE2 4.04Å; I986-V1007 HydrophobicContact CD1-CG1 4.49Å; I986-V1007 HydrophobicContact CG1-CG1 4.41Å; I986-V1007 HydrophobicContact CG1-CG2 4.06Å; I986-L1019 HydrophobicContact CG2-CD2 3.42Å; I986-L1019 VanDerWaalsContact CG2-CD2 3.42Å; I986-S1021 WeakPolarHBondContact CD1-OG 3.23Å; I986-W1031 HydrophobicContact CG2-CZ3 4.4Å
987K92.4Very high88.8Confident35 Ų3536.2 Ų36.215%0.15219%0.192CC..EExtended strand (participates in β ladder)trans-124138.9178.7-66.1-175.8-175.2-175.80110.4A978 F979 V996 K998 T999A978-K987 CarbonylContact C-O 3.56Å; A978-K987 WeakPolarHBondContact CA-O 3.31Å; F979-K987 HydrophobicContact CD1-CB 4.31Å; F979-K987 HydrophobicContact CD2-CB 4.4Å; F979-K987 HydrophobicContact CE1-CB 3.78Å; F979-K987 HydrophobicContact CE2-CB 3.89Å; F979-K987 HydrophobicContact CE2-CD 3.8Å; F979-K987 HydrophobicContact CE2-CG 4.2Å; F979-K987 HydrophobicContact CZ-CB 3.57Å; F979-K987 HydrophobicContact CZ-CD 3.62Å; F979-K987 HydrophobicContact CZ-CG 4.12Å; F979-K987 PolarHBondContact N-O 3.21Å; F979-K987 PolarHBondContact O-N 3Å; K987-V996 HydrophobicContact CB-CG1 4.04Å; K987-V996 HydrophobicContact CD-CG1 4.17Å; K987-V996 HydrophobicContact CD-CG2 4.31Å; K987-V996 HydrophobicContact CG-CG1 4.23Å; K987-K998 WeakPolarHBondContact CA-O 3.49Å; K987-T999 HydrophobicContact CD-CG2 4.49Å; K987-T999 HydrophobicContact CG-CG2 3.95Å
988V92.1Very high88.7Confident0 Ų040 Ų400%021%0.209CC..EExtended strand (participates in β ladder)trans-112.5130171.1174.90000107.8A977 A978 L997 K998 F1012 L1019 W1031 W1033A977-V988 CarbonylContact O-C 3.58Å; A977-V988 WeakPolarHBondContact O-CA 3.46Å; A978-V988 HydrophobicContact CB-CG2 4.16Å; V988-L997 PolarHBondContact O-N 3.16Å; V988-K998 PolarHBondContact N-O 3.46Å; V988-K998 PolarHBondContact O-N 3.48Å; V988-F1012 HydrophobicContact CG1-CZ 4.27Å; V988-F1012 HydrophobicContact CG2-CZ 4.38Å; V988-L1019 HydrophobicContact CG2-CD2 4.03Å; V988-W1031 HydrophobicContact CG2-CH2 4.2Å; V988-W1031 HydrophobicContact CG2-CZ3 3.65Å; V988-W1033 HydrophobicContact CG1-CD2 4.09Å; V988-W1033 HydrophobicContact CG1-CE3 4.17Å; V988-W1033 HydrophobicContact CG1-CZ2 4.45Å; V988-W1033 HydrophobicContact CG1-CZ3 4.37Å; V988-W1033 HydrophobicContact CG2-CB 4.36Å; V988-W1033 HydrophobicContact CG2-CG 4.26Å
989L91.8Very high88.6Confident0 Ų043.8 Ų43.80%023%0.232CC..EExtended strand (participates in β ladder)trans-125.2156.6-176.373.1108000111.7L944 M956 T958 F976 A977 F979 L991 K995L944-L989 HydrophobicContact CD2-CD2 3.5Å; M956-L989 HydrophobicContact CE-CD1 3.61Å; T958-L989 HydrophobicContact CG2-CD2 4.5Å; F976-L989 VanDerWaalsContact CA-O 3.3Å; F976-L989 WeakPolarHBondContact CA-O 3.43Å; A977-L989 HydrophobicContact CB-CD1 4.08Å; A977-L989 HydrophobicContact CB-CD2 3.9Å; A977-L989 HydrophobicContact CB-CG 3.86Å; A977-L989 PolarHBondContact N-O 3.26Å; A977-L989 PolarHBondContact O-N 3.3Å; F979-L989 HydrophobicContact CD1-CD2 3.54Å; F979-L989 HydrophobicContact CE1-CD2 3.49Å; F979-L989 VanDerWaalsContact CE1-CD2 3.49Å; L989-L991 HydrophobicContact CD1-CD2 4.09Å; L989-K995 VanDerWaalsContact CA-O 3.26Å; L989-K995 WeakPolarHBondContact CA-O 3.43Å; L989-K995 WeakPolarHBondContact CB-O 3.33Å
990Q90.3Very high88.4Confident71 Ų7147.3 Ų47.333%0.33225%0.245SC..EExtended strand (participates in β ladder)trans-93.4130.3173-172.2172.1-18.700110.2S992 G994 K995 L997Q990-S992 WeakPolarHBondContact CG-OG 3.41Å; Q990-S992 PolarHBondContact NE2-OG 3.27Å; Q990-S992 PolarHBondContact O-N 3.26Å; Q990-G994 VanDerWaalsContact O-CA 3.27Å; Q990-G994 WeakPolarHBondContact O-CA 3.28Å; Q990-G994 PolarHBondContact O-N 2.69Å; Q990-K995 PolarHBondContact N-O 2.81Å; Q990-L997 HydrophobicContact CB-CD1 3.99Å; Q990-L997 HydrophobicContact CB-CD2 4.17Å; Q990-L997 HydrophobicContact CB-CG 4.04Å
991L86.1Confident88.2Confident12 Ų1255.1 Ų55.16%0.06328%0.282CS..THydrogen-bonded Turntrans-74.3-25.6-172.8-73.9168.2000113.7L946 M956 L970 L974 K975 F976 A977 L989 D993L946-L991 HydrophobicContact CD2-CD2 3.91Å; M956-L991 HydrophobicContact CE-CD2 3.7Å; L970-L991 HydrophobicContact CD1-CD1 3.63Å; L970-L991 HydrophobicContact CD1-CD2 4.09Å; L970-L991 HydrophobicContact CD1-CG 4.47Å; L970-L991 HydrophobicContact CG-CD1 4.48Å; L974-L991 VanDerWaalsContact C-CD1 3.47Å; L974-L991 VanDerWaalsContact O-CD1 3.25Å; L974-L991 WeakPolarHBondContact O-CD1 3.38Å; K975-L991 PolarHBondContact O-N 3.39Å; F976-L991 WeakPolarHBondContact O-CD1 3.24Å; A977-L991 HydrophobicContact CB-CD2 3.76Å; A977-L991 HydrophobicContact CB-CG 4.23Å; L989-L991 HydrophobicContact CD1-CD2 4.09Å; L991-D993 VanDerWaalsContact C-N 3.32Å; L991-D993 PolarHBondContact O-N 3.47Å
992S82.6Confident87.6Confident96 Ų9655.6 Ų55.667%0.67129%0.286SS*.THydrogen-bonded Turntrans-67.2-29.9-177550000114.1Q990Q990-S992 WeakPolarHBondContact CG-OG 3.41Å; Q990-S992 PolarHBondContact NE2-OG 3.27Å; Q990-S992 PolarHBondContact O-N 3.26Å
993D79.9Confident87.6Confident79 Ų7951.5 Ų51.542%0.42227%0.267SS..THydrogen-bonded Turntrans-132.80.9-177.766.6-15.1000113.7L991 K995L991-D993 VanDerWaalsContact C-N 3.32Å; L991-D993 PolarHBondContact O-N 3.47Å; D993-K995 PolarHBondContact O-N 3Å; D993-K995 PolarHBondContact OD1-N 3.24Å; D993-K995 WeakPolarHBondContact OD2-CD 3.38Å; D993-K995 IonicContact OD2-NZ 3.44Å
994G79.9Confident87.4Confident12 Ų1259.8 Ų59.812%0.12429%0.292CS..  trans69.48.9177.300000114.5Q990Q990-G994 VanDerWaalsContact O-CA 3.27Å; Q990-G994 WeakPolarHBondContact O-CA 3.28Å; Q990-G994 PolarHBondContact O-N 2.69Å
995K84.7Confident87.4Confident138 Ų13862.3 Ų62.360%0.631%0.308SS*.  trans-81.4137.9-175.7-70.9-173.2-172.7162.90111.9L989 Q990 D993 L997L989-K995 VanDerWaalsContact CA-O 3.26Å; L989-K995 WeakPolarHBondContact CA-O 3.43Å; L989-K995 WeakPolarHBondContact CB-O 3.33Å; Q990-K995 PolarHBondContact N-O 2.81Å; D993-K995 PolarHBondContact O-N 3Å; D993-K995 PolarHBondContact OD1-N 3.24Å; D993-K995 WeakPolarHBondContact OD2-CD 3.38Å; D993-K995 IonicContact OD2-NZ 3.44Å; K995-L997 PolarHBondContact O-N 2.75Å
996V87.5Confident87.2Confident59 Ų5962.8 Ų62.836%0.35831%0.311SS..EExtended strand (participates in β ladder)trans-70.6118.4173-179.50000109.3K987K987-V996 HydrophobicContact CB-CG1 4.04Å; K987-V996 HydrophobicContact CD-CG1 4.17Å; K987-V996 HydrophobicContact CD-CG2 4.31Å; K987-V996 HydrophobicContact CG-CG1 4.23Å
997L88.1Confident87.1Confident64 Ų6462.7 Ų62.734%0.33531%0.311SS..EExtended strand (participates in β ladder)trans-83.1-42.7178.4-65.6178.2000111.8F976 V988 Q990 K995 W1033F976-L997 HydrophobicContact CD1-CD1 3.81Å; F976-L997 HydrophobicContact CE1-CD1 3.7Å; V988-L997 PolarHBondContact O-N 3.16Å; Q990-L997 HydrophobicContact CB-CD1 3.99Å; Q990-L997 HydrophobicContact CB-CD2 4.17Å; Q990-L997 HydrophobicContact CB-CG 4.04Å; K995-L997 PolarHBondContact O-N 2.75Å; L997-W1033 HydrophobicContact CD1-CH2 4.29Å; L997-W1033 HydrophobicContact CD1-CZ3 4.15Å
998K89.3Confident86.9Confident79 Ų7964.3 Ų64.334%0.34332%0.319SS..EExtended strand (participates in β ladder)trans-144.3143.3-176.3-63.2-64.3176.1-154.50110.9K987 V988 W1031 W1033K987-K998 WeakPolarHBondContact CA-O 3.49Å; V988-K998 PolarHBondContact N-O 3.46Å; V988-K998 PolarHBondContact O-N 3.48Å; K998-W1031 HydrophobicContact CB-CH2 3.65Å; K998-W1031 HydrophobicContact CB-CZ2 4.04Å; K998-W1033 HydrophobicContact CG-CE3 4.14Å
999T90.5Very high86.8Confident80 Ų8066.1 Ų66.149%0.49133%0.328SS..EExtended strand (participates in β ladder)trans-122.3137.1171.7-54.90000108.2I986 K987I986-T999 CarbonylContact O-C 3.57Å; I986-T999 WeakPolarHBondContact O-CA 3.48Å; K987-T999 HydrophobicContact CD-CG2 4.49Å; K987-T999 HydrophobicContact CG-CG2 3.95Å
1000W89.7Confident86.8Confident74 Ų7466.3 Ų66.328%0.2833%0.329SS..EExtended strand (participates in β ladder)trans-132.7121.7179.7-178.1-115.3000109.7T985 I986 A1002 W1031 C1038T985-W1000 CarbonylContact C-O 3.6Å; T985-W1000 WeakPolarHBondContact CA-O 3.28Å; I986-W1000 PolarHBondContact N-O 2.66Å; I986-W1000 PolarHBondContact O-N 2.95Å; W1000-A1002 VanDerWaalsContact C-N 3.32Å; W1000-A1002 PolarHBondContact O-N 2.95Å; W1000-W1031 HydrophobicContact CB-CD2 4.14Å; W1000-W1031 HydrophobicContact CB-CE3 4.14Å; W1000-W1031 HydrophobicContact CB-CH2 3.77Å; W1000-W1031 HydrophobicContact CB-CZ2 3.77Å; W1000-W1031 HydrophobicContact CB-CZ3 3.94Å; W1000-W1031 HydrophobicContact CG-CD2 4.08Å; W1000-W1031 AromaticContact CG-CE2 3.99Å; W1000-W1031 HydrophobicContact CG-CE3 4.43Å; W1000-W1031 HydrophobicContact CG-CG 4.44Å; W1000-W1031 HydrophobicContact CG-CZ2 4.32Å; W1000-C1038 HydrophobicContact CZ2-CB 4.11Å
1001E87.4Confident86.9Confident164 Ų16465.8 Ų65.877%0.76633%0.326SS*.EExtended strand (participates in β ladder)trans-80.983.6172.7-62.3-173.116900108.7T985T985-E1001 HydrophobicContact CG2-CB 4.49Å; T985-E1001 HydrophobicContact CG2-CG 3.97Å
1002A79.1Confident87.1Confident14 Ų1465.9 Ų65.912%0.11633%0.326CS..  trans-76.4-52.9-172.400000111.6G984 I986 W1000 Q1029G984-A1002 PolarHBondContact O-N 2.9Å; I986-A1002 HydrophobicContact CD1-CB 3.55Å; I986-A1002 HydrophobicContact CG1-CB 3.91Å; W1000-A1002 VanDerWaalsContact C-N 3.32Å; W1000-A1002 PolarHBondContact O-N 2.95Å; A1002-Q1029 PolarHBondContact O-NE2 3.36Å
1003Y86.9Confident87.4Confident16 Ų1661.4 Ų61.46%0.06330%0.295CS..  trans-125.5163.7-166.8-58.6-79.5000112.1G984 I986 T1005 V1007 S1021 A1023 D1025 Q1029G984-Y1003 WeakPolarHBondContact CA-O 3.2Å; G984-Y1003 PolarHBondContact O-N 2.68Å; I986-Y1003 HydrophobicContact CD1-CD2 4.47Å; I986-Y1003 HydrophobicContact CD1-CE2 4.04Å; Y1003-T1005 WeakPolarHBondContact CB-O 3.49Å; Y1003-V1007 HydrophobicContact CD2-CG2 3.96Å; Y1003-S1021 WeakPolarHBondContact CE2-OG 3.44Å; Y1003-S1021 PolarHBondContact OH-O 3.42Å; Y1003-S1021 PolarHBondContact OH-OG 3.48Å; Y1003-S1021 VanDerWaalsContact OH-OG 3.08Å; Y1003-A1023 HydrophobicContact CD1-CB 3.55Å; Y1003-A1023 HydrophobicContact CD2-CB 3.82Å; Y1003-A1023 HydrophobicContact CE1-CB 3.98Å; Y1003-A1023 HydrophobicContact CE2-CB 4.22Å; Y1003-A1023 HydrophobicContact CG-CB 3.47Å; Y1003-A1023 VanDerWaalsContact CG-CB 3.47Å; Y1003-D1025 VanDerWaalsContact CD1-OD2 3.28Å; Y1003-D1025 WeakPolarHBondContact CD1-OD2 3.46Å; Y1003-Q1029 HydrophobicContact CE1-CG 3.82Å; Y1003-Q1029 VanDerWaalsContact OH-CB 3.23Å; Y1003-Q1029 WeakPolarHBondContact OH-CB 3.39Å; Y1003-Q1029 VanDerWaalsContact OH-CG 3.28Å; Y1003-Q1029 WeakPolarHBondContact OH-CG 3.43Å; Y1003-Q1029 PolarHBondContact OH-N 3.34Å
1004R85Confident87.6Confident249 Ų24960.3 Ų60.394%0.9429%0.294SS*.SBendtrans-93.1-10.8168.9-65.1-176.8179.8-179.3-0.5112.9
1005T87Confident87.8Confident52 Ų5263.3 Ų63.332%0.31931%0.307SS..SBendtrans-120.8164.1-176.251.50000109.4G984 Y1003 V1007G984-T1005 WeakPolarHBondContact CA-O 3.46Å; Y1003-T1005 WeakPolarHBondContact CB-O 3.49Å; T1005-V1007 PolarHBondContact O-N 2.94Å
1006S88.3Confident87.8Confident23 Ų2357.1 Ų57.116%0.16128%0.281CS..  trans-57.2130.2-179.9175.30000113.3C966 E982 Q1008 A1023 H1024C966-S1006 PolarHBondContact SG-OG 2.63Å; E982-S1006 VanDerWaalsContact O-CA 3.22Å; E982-S1006 WeakPolarHBondContact O-CA 3.45Å; E982-S1006 PolarHBondContact O-N 2.98Å; S1006-Q1008 PolarHBondContact O-NE2 3.44Å; S1006-Q1008 PolarHBondContact OG-NE2 3.17Å; S1006-A1023 WeakPolarHBondContact O-CA 3.34Å; S1006-A1023 WeakPolarHBondContact O-CB 3.24Å; S1006-H1024 PolarHBondContact O-N 3.28Å
1007V90.8Very high87.7Confident0 Ų058.6 Ų58.60%028%0.284CS..EExtended strand (participates in β ladder)trans-70.7127.3175.1-170.40000109.5C966 Q981 I986 Y1003 T1005 S1022C966-V1007 WeakPolarHBondContact CB-O 3.3Å; Q981-V1007 PolarHBondContact O-N 2.66Å; I986-V1007 HydrophobicContact CD1-CG1 4.49Å; I986-V1007 HydrophobicContact CG1-CG1 4.41Å; I986-V1007 HydrophobicContact CG1-CG2 4.06Å; Y1003-V1007 HydrophobicContact CD2-CG2 3.96Å; T1005-V1007 PolarHBondContact O-N 2.94Å; V1007-S1022 WeakPolarHBondContact CG1-O 3.28Å
1008Q88.5Confident87.8Confident69 Ų6956.6 Ų56.632%0.32227%0.274SS..EExtended strand (participates in β ladder)trans-99.5-41.9-175.3-65.8-54.1-56.700113C967 S1006 S1022 H1024C967-Q1008 WeakPolarHBondContact CB-O 3.49Å; S1006-Q1008 PolarHBondContact O-NE2 3.44Å; S1006-Q1008 PolarHBondContact OG-NE2 3.17Å; Q1008-S1022 PolarHBondContact N-O 3.42Å; Q1008-H1024 VanDerWaalsContact CD-CD2 3.46Å; Q1008-H1024 VanDerWaalsContact CD-NE2 3.25Å; Q1008-H1024 PolarHBondContact NE2-CD2 3.42Å; Q1008-H1024 PolarHBondContact NE2-NE2 3.29Å
1009H89.3Confident87.9Confident38 Ų3852.9 Ų52.918%0.17626%0.258CS..EExtended strand (participates in β ladder)trans-142.9147.1-178.4-168.460.2000111S1021 S1022 D1050 F1051H1009-S1021 CarbonylContact O-C 3.58Å; H1009-S1021 VanDerWaalsContact O-CA 3.28Å; H1009-S1021 WeakPolarHBondContact O-CA 3.42Å; H1009-S1022 PolarHBondContact N-O 2.52Å; H1009-S1022 PolarHBondContact O-N 2.89Å; H1009-D1050 IonicContact CD2-OD1 3.91Å; H1009-D1050 PolarHBondContact CD2-OD1 2.8Å; H1009-D1050 VanDerWaalsContact CD2-OD1 3.23Å; H1009-D1050 IonicContact CG-OD1 3.49Å; H1009-D1050 IonicContact NE2-OD1 3.8Å; H1009-F1051 HydrophobicContact CB-CE1 4.22Å; H1009-F1051 AromaticContact CD2-CE1 3.72Å; H1009-F1051 AromaticContact CD2-CE2 3.83Å; H1009-F1051 AromaticContact CD2-CZ 3.5Å
1010C92.1Very high88Confident3 Ų349.1 Ų49.12%0.0224%0.235CC..EExtended strand (participates in β ladder)trans-143.7144.8171.461.30000110.9C967 C969 L1019 I1020C967-C1010 VanDerWaalsContact SG-SG 3.64Å; C969-C1010 WeakPolarHBondContact CB-O 3.46Å; C1010-L1019 HydrophobicContact CB-CD1 4.46Å; C1010-I1020 CarbonylContact C-O 3.6Å; C1010-I1020 VanDerWaalsContact CA-O 3.23Å; C1010-I1020 WeakPolarHBondContact CA-O 3.21Å
1011Q91.7Very high88.1Confident61 Ų6145.6 Ų45.629%0.28522%0.222SC..EExtended strand (participates in β ladder)trans-147.5135.2-178.8-162.9-175.27.200110.8I1020 F1051Q1011-I1020 PolarHBondContact N-O 3.07Å; Q1011-I1020 PolarHBondContact O-N 3.38Å; Q1011-F1051 HydrophobicContact CB-CE2 3.91Å; Q1011-F1051 HydrophobicContact CB-CZ 4.4Å
1012F91.1Very high88.4Confident13 Ų1337.8 Ų37.86%0.05719%0.185CC..EExtended strand (participates in β ladder)trans-75.7149.5169.1-78.2-73.2000111.8F976 A978 V988 L1019 W1033F976-F1012 HydrophobicContact CB-CZ 4.28Å; A978-F1012 HydrophobicContact CB-CE2 3.67Å; A978-F1012 HydrophobicContact CB-CZ 3.68Å; V988-F1012 HydrophobicContact CG1-CZ 4.27Å; V988-F1012 HydrophobicContact CG2-CZ 4.38Å; F1012-L1019 HydrophobicContact CD1-CB 4.43Å; F1012-L1019 HydrophobicContact CD1-CD1 3.87Å; F1012-L1019 HydrophobicContact CD2-CD1 4.18Å; F1012-L1019 HydrophobicContact CE1-CB 4.38Å; F1012-L1019 HydrophobicContact CE1-CD1 3.91Å; F1012-L1019 HydrophobicContact CE2-CD1 4.21Å; F1012-L1019 HydrophobicContact CG-CD1 4.01Å; F1012-L1019 HydrophobicContact CZ-CD1 4.09Å; F1012-W1033 AromaticContact CE1-NE1 3.75Å
1013T89.6Confident88.9Confident2 Ų237.1 Ų37.11%0.01218%0.18CC..  trans-71.1159.7161.346.60000110.6D1015 C1016 T1018 I1020 L1053 I1073T1013-D1015 WeakPolarHBondContact CB-OD1 3.24Å; T1013-D1015 PolarHBondContact O-N 2.85Å; T1013-D1015 VanDerWaalsContact O-N 3.09Å; T1013-D1015 PolarHBondContact OG1-OD1 3.33Å; T1013-C1016 WeakPolarHBondContact O-CA 3.43Å; T1013-C1016 PolarHBondContact O-N 3.33Å; T1013-T1018 HydrophobicContact CG2-CG2 4.37Å; T1013-T1018 PolarHBondContact N-O 3.14Å; T1013-T1018 VanDerWaalsContact OG1-CB 3.31Å; T1013-T1018 WeakPolarHBondContact OG1-CB 3.15Å; T1013-T1018 PolarHBondContact OG1-N 3.06Å; T1013-T1018 PolarHBondContact OG1-O 3.43Å; T1013-I1020 HydrophobicContact CG2-CD1 4.28Å; T1013-L1053 HydrophobicContact CG2-CD2 4.31Å; T1013-I1073 HydrophobicContact CG2-CD1 3.98Å
1014S83.3Confident88.7Confident57 Ų5741.4 Ų41.440%0.39920%0.2SC..THydrogen-bonded Turntrans-64.6-19.9-175.490.60000113.3C1016 N1056S1014-C1016 VanDerWaalsContact C-N 3.28Å; S1014-N1056 WeakPolarHBondContact CB-OD1 3.21Å; S1014-N1056 PolarHBondContact N-OD1 2.86Å; S1014-N1056 PolarHBondContact OG-ND2 3.41Å; S1014-N1056 PolarHBondContact OG-OD1 3.15Å
1015D83.5Confident88.9Confident75 Ų7531.6 Ų31.640%0.40117%0.166SC..THydrogen-bonded Turntrans-80.4-6.5173.265.59.2000113.6T1013 Q1017T1013-D1015 WeakPolarHBondContact CB-OD1 3.24Å; T1013-D1015 PolarHBondContact O-N 2.85Å; T1013-D1015 VanDerWaalsContact O-N 3.09Å; T1013-D1015 PolarHBondContact OG1-OD1 3.33Å; D1015-Q1017 PolarHBondContact O-N 3.03Å; D1015-Q1017 VanDerWaalsContact O-N 3.1Å; D1015-Q1017 PolarHBondContact OD1-N 2.98Å
1016C84.6Confident88.9Confident8 Ų831.1 Ų31.15%0.05417%0.165CC..SBendtrans58.411.7-176.1-56.50000115.1T1013 S1014 W1033T1013-C1016 WeakPolarHBondContact O-CA 3.43Å; T1013-C1016 PolarHBondContact O-N 3.33Å; S1014-C1016 VanDerWaalsContact C-N 3.28Å; C1016-W1033 PolarHBondContact O-NE1 3Å
1017Q86Confident89.1Confident89 Ų8931 Ų3142%0.41616%0.164SC..SBendtrans-93.5-24.1-178.6-66-173.43.200113.2D1015 W1033D1015-Q1017 PolarHBondContact O-N 3.03Å; D1015-Q1017 VanDerWaalsContact O-N 3.1Å; D1015-Q1017 PolarHBondContact OD1-N 2.98Å; Q1017-W1033 PolarHBondContact O-N 3.48Å; Q1017-W1033 PolarHBondContact O-NE1 3.35Å
1018T89.4Confident89.1Confident22 Ų2231.1 Ų31.114%0.13516%0.164CC..EExtended strand (participates in β ladder)trans-119.6138.6-176.4-50.40000110T1013 V1030 W1031T1013-T1018 HydrophobicContact CG2-CG2 4.37Å; T1013-T1018 PolarHBondContact N-O 3.14Å; T1013-T1018 VanDerWaalsContact OG1-CB 3.31Å; T1013-T1018 WeakPolarHBondContact OG1-CB 3.15Å; T1013-T1018 PolarHBondContact OG1-N 3.06Å; T1013-T1018 PolarHBondContact OG1-O 3.43Å; T1018-V1030 HydrophobicContact CG2-CG1 3.35Å; T1018-W1031 WeakPolarHBondContact CA-O 3.06Å
1019L91.6Very high89.3Confident1 Ų128.3 Ų28.31%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-116.7124.2177.9-174.372000109.2A978 I986 V988 C1010 F1012 W1031A978-L1019 HydrophobicContact CB-CD1 3.68Å; A978-L1019 HydrophobicContact CB-CD2 3.75Å; A978-L1019 HydrophobicContact CB-CG 4.41Å; I986-L1019 HydrophobicContact CG2-CD2 3.42Å; I986-L1019 VanDerWaalsContact CG2-CD2 3.42Å; V988-L1019 HydrophobicContact CG2-CD2 4.03Å; C1010-L1019 HydrophobicContact CB-CD1 4.46Å; F1012-L1019 HydrophobicContact CD1-CB 4.43Å; F1012-L1019 HydrophobicContact CD1-CD1 3.87Å; F1012-L1019 HydrophobicContact CD2-CD1 4.18Å; F1012-L1019 HydrophobicContact CE1-CB 4.38Å; F1012-L1019 HydrophobicContact CE1-CD1 3.91Å; F1012-L1019 HydrophobicContact CE2-CD1 4.21Å; F1012-L1019 HydrophobicContact CG-CD1 4.01Å; F1012-L1019 HydrophobicContact CZ-CD1 4.09Å; L1019-W1031 HydrophobicContact CB-CE3 4.35Å; L1019-W1031 HydrophobicContact CD2-CE3 4.06Å; L1019-W1031 HydrophobicContact CD2-CZ3 4.27Å; L1019-W1031 PolarHBondContact N-O 3.28Å; L1019-W1031 PolarHBondContact O-N 2.93Å
1020I92.9Very high89.4Confident1 Ų126.8 Ų26.81%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-99.6139175.2-51.6177.2000107.7C1010 Q1011 T1013 I1028 Q1029 V1030 F1051 L1053 L1059 I1073C1010-I1020 CarbonylContact C-O 3.6Å; C1010-I1020 VanDerWaalsContact CA-O 3.23Å; C1010-I1020 WeakPolarHBondContact CA-O 3.21Å; Q1011-I1020 PolarHBondContact N-O 3.07Å; Q1011-I1020 PolarHBondContact O-N 3.38Å; T1013-I1020 HydrophobicContact CG2-CD1 4.28Å; I1020-I1028 HydrophobicContact CG2-CG2 3.63Å; I1020-Q1029 CarbonylContact C-O 3.46Å; I1020-Q1029 WeakPolarHBondContact CA-O 3.44Å; I1020-V1030 HydrophobicContact CG1-CG1 4.38Å; I1020-V1030 HydrophobicContact CG1-CG2 4.26Å; I1020-V1030 HydrophobicContact CG2-CG2 4.32Å; I1020-F1051 HydrophobicContact CB-CE2 3.83Å; I1020-F1051 HydrophobicContact CB-CZ 3.99Å; I1020-F1051 HydrophobicContact CG2-CD2 4.03Å; I1020-F1051 HydrophobicContact CG2-CE1 4.17Å; I1020-F1051 HydrophobicContact CG2-CE2 3.48Å; I1020-F1051 VanDerWaalsContact CG2-CE2 3.48Å; I1020-F1051 HydrophobicContact CG2-CZ 3.57Å; I1020-L1053 HydrophobicContact CD1-CD1 3.85Å; I1020-L1059 HydrophobicContact CD1-CD1 3.98Å; I1020-L1059 HydrophobicContact CG2-CD1 4.45Å; I1020-L1059 HydrophobicContact CG2-CD2 3.94Å; I1020-I1073 HydrophobicContact CD1-CG2 4.28Å
1021S92.8Very high89.4Confident1 Ų126.9 Ų26.91%0.00714%0.144CC..EExtended strand (participates in β ladder)trans-145.6156.9-179.159.20000111.8I986 Y1003 H1009 I1028 Q1029I986-S1021 WeakPolarHBondContact CD1-OG 3.23Å; Y1003-S1021 WeakPolarHBondContact CE2-OG 3.44Å; Y1003-S1021 PolarHBondContact OH-O 3.42Å; Y1003-S1021 PolarHBondContact OH-OG 3.48Å; Y1003-S1021 VanDerWaalsContact OH-OG 3.08Å; H1009-S1021 CarbonylContact O-C 3.58Å; H1009-S1021 VanDerWaalsContact O-CA 3.28Å; H1009-S1021 WeakPolarHBondContact O-CA 3.42Å; S1021-I1028 WeakPolarHBondContact O-CA 3.3Å; S1021-I1028 WeakPolarHBondContact O-CG2 3.01Å; S1021-Q1029 PolarHBondContact N-O 3.32Å; S1021-Q1029 PolarHBondContact O-N 2.9Å; S1021-Q1029 PolarHBondContact OG-O 2.92Å
1022S92.1Very high89.3Confident0 Ų024.8 Ų24.80%014%0.136CC..EExtended strand (participates in β ladder)trans-137.5155.6172.961.50000111V1007 Q1008 H1009 F1051V1007-S1022 WeakPolarHBondContact CG1-O 3.28Å; Q1008-S1022 PolarHBondContact N-O 3.42Å; H1009-S1022 PolarHBondContact N-O 2.52Å; H1009-S1022 PolarHBondContact O-N 2.89Å; S1022-F1051 WeakPolarHBondContact OG-CE1 3.46Å
1023A89.8Confident89.1Confident0 Ų024.8 Ų24.80%014%0.136CC..EExtended strand (participates in β ladder)trans-129.1-175174.800000110.8Y1003 S1006 D1025Y1003-A1023 HydrophobicContact CD1-CB 3.55Å; Y1003-A1023 HydrophobicContact CD2-CB 3.82Å; Y1003-A1023 HydrophobicContact CE1-CB 3.98Å; Y1003-A1023 HydrophobicContact CE2-CB 4.22Å; Y1003-A1023 HydrophobicContact CG-CB 3.47Å; Y1003-A1023 VanDerWaalsContact CG-CB 3.47Å; S1006-A1023 WeakPolarHBondContact O-CA 3.34Å; S1006-A1023 WeakPolarHBondContact O-CB 3.24Å; A1023-D1025 PolarHBondContact O-N 2.62Å
1024H84.1Confident88.9Confident106 Ų10629.2 Ų29.249%0.49116%0.156SC..SBendtrans-70.245.7167.5-81.4-63.5000112.8S1006 Q1008S1006-H1024 PolarHBondContact O-N 3.28Å; Q1008-H1024 VanDerWaalsContact CD-CD2 3.46Å; Q1008-H1024 VanDerWaalsContact CD-NE2 3.25Å; Q1008-H1024 PolarHBondContact NE2-CD2 3.42Å; Q1008-H1024 PolarHBondContact NE2-NE2 3.29Å
1025D87.6Confident88.9Confident43 Ų4332 Ų3223%0.2317%0.166CC..SBendtrans-137.8176.7175.771.4-5000110.2Y1003 A1023 V1027 A1047 V1048Y1003-D1025 VanDerWaalsContact CD1-OD2 3.28Å; Y1003-D1025 WeakPolarHBondContact CD1-OD2 3.46Å; A1023-D1025 PolarHBondContact O-N 2.62Å; D1025-V1027 VanDerWaalsContact C-N 3.25Å; D1025-V1027 PolarHBondContact O-N 3.14Å; D1025-V1027 PolarHBondContact OD1-N 2.81Å; D1025-A1047 VanDerWaalsContact O-CA 3.3Å; D1025-A1047 WeakPolarHBondContact O-CA 3.33Å; D1025-V1048 PolarHBondContact O-N 2.69Å
1026S88.8Confident88.6Confident42 Ų4234.9 Ų34.929%0.29418%0.175SC..SBendtrans-88.210.6-175.871.30000113.3H1044 E1046S1026-H1044 WeakPolarHBondContact CB-O 3.36Å; S1026-E1046 WeakPolarHBondContact CA-O 3.49Å; S1026-E1046 VanDerWaalsContact CB-O 3.29Å; S1026-E1046 WeakPolarHBondContact CB-O 3.45Å
1027V90.8Very high88.7Confident21 Ų2140.7 Ų40.713%0.12720%0.201CC..EExtended strand (participates in β ladder)trans-121.8131.3-169.2-175.70000110D1025 F1040 R1042D1025-V1027 VanDerWaalsContact C-N 3.25Å; D1025-V1027 PolarHBondContact O-N 3.14Å; D1025-V1027 PolarHBondContact OD1-N 2.81Å; V1027-F1040 HydrophobicContact CG1-CB 4.33Å; V1027-F1040 HydrophobicContact CG1-CD1 4.29Å; V1027-R1042 HydrophobicContact CG1-CG 4.1Å; V1027-R1042 HydrophobicContact CG2-CG 4.07Å
1028I92.4Very high88.7Confident1 Ų138.1 Ų38.11%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-103.4134.3170.5-54.3172.3000107.6I1020 S1021 L1041 V1048 F1051 L1059 S1061I1020-I1028 HydrophobicContact CG2-CG2 3.63Å; S1021-I1028 WeakPolarHBondContact O-CA 3.3Å; S1021-I1028 WeakPolarHBondContact O-CG2 3.01Å; I1028-L1041 HydrophobicContact CB-CB 4.07Å; I1028-L1041 HydrophobicContact CB-CD1 4.05Å; I1028-L1041 HydrophobicContact CB-CG 4.41Å; I1028-L1041 HydrophobicContact CG2-CD1 4.05Å; I1028-L1041 PolarHBondContact N-O 3.39Å; I1028-L1041 PolarHBondContact O-N 3.01Å; I1028-V1048 HydrophobicContact CD1-CG1 3.94Å; I1028-V1048 HydrophobicContact CD1-CG2 4.3Å; I1028-V1048 HydrophobicContact CG1-CB 4.44Å; I1028-V1048 HydrophobicContact CG1-CG1 4.16Å; I1028-V1048 HydrophobicContact CG1-CG2 3.98Å; I1028-F1051 HydrophobicContact CD1-CB 4.37Å; I1028-F1051 HydrophobicContact CD1-CD1 4.45Å; I1028-F1051 HydrophobicContact CG2-CD1 4.38Å; I1028-F1051 HydrophobicContact CG2-CE1 4.48Å; I1028-L1059 HydrophobicContact CD1-CD2 4.22Å; I1028-L1059 HydrophobicContact CG2-CD2 4.05Å; I1028-S1061 VanDerWaalsContact CD1-CB 3.41Å
1029Q92Very high88.7Confident10 Ų1039 Ų395%0.04720%0.198CC..EExtended strand (participates in β ladder)trans-106.7129.8177-65.1-175.123.100110.9A1002 Y1003 I1020 S1021 F1040A1002-Q1029 PolarHBondContact O-NE2 3.36Å; Y1003-Q1029 HydrophobicContact CE1-CG 3.82Å; Y1003-Q1029 VanDerWaalsContact OH-CB 3.23Å; Y1003-Q1029 WeakPolarHBondContact OH-CB 3.39Å; Y1003-Q1029 VanDerWaalsContact OH-CG 3.28Å; Y1003-Q1029 WeakPolarHBondContact OH-CG 3.43Å; Y1003-Q1029 PolarHBondContact OH-N 3.34Å; I1020-Q1029 CarbonylContact C-O 3.46Å; I1020-Q1029 WeakPolarHBondContact CA-O 3.44Å; S1021-Q1029 PolarHBondContact N-O 3.32Å; S1021-Q1029 PolarHBondContact O-N 2.9Å; S1021-Q1029 PolarHBondContact OG-O 2.92Å; Q1029-F1040 HydrophobicContact CG-CD1 3.73Å; Q1029-F1040 HydrophobicContact CG-CE1 3.88Å
1030V91.8Very high88.7Confident7 Ų743.2 Ų43.24%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-109.9106.5173.6-179.70000107.3T1018 I1020 C1038 V1039 L1041 I1073T1018-V1030 HydrophobicContact CG2-CG1 3.35Å; I1020-V1030 HydrophobicContact CG1-CG1 4.38Å; I1020-V1030 HydrophobicContact CG1-CG2 4.26Å; I1020-V1030 HydrophobicContact CG2-CG2 4.32Å; V1030-C1038 CarbonylContact O-C 3.56Å; V1030-C1038 WeakPolarHBondContact O-CA 3.48Å; V1030-V1039 HydrophobicContact CB-CB 4.24Å; V1030-V1039 PolarHBondContact N-O 3.41Å; V1030-V1039 PolarHBondContact O-N 3.48Å; V1030-L1041 HydrophobicContact CG2-CD1 3.88Å; V1030-L1041 HydrophobicContact CG2-CG 4.17Å; V1030-I1073 HydrophobicContact CG1-CB 4.15Å; V1030-I1073 HydrophobicContact CG2-CB 4.22Å; V1030-I1073 HydrophobicContact CG2-CG2 4.36Å
1031W91.9Very high88.6Confident5 Ų543.2 Ų43.22%0.01922%0.216CC..EExtended strand (participates in β ladder)trans-112.8112.7-172.8176.148.4000111.2I986 V988 K998 W1000 T1018 L1019 W1033I986-W1031 HydrophobicContact CG2-CZ3 4.4Å; V988-W1031 HydrophobicContact CG2-CH2 4.2Å; V988-W1031 HydrophobicContact CG2-CZ3 3.65Å; K998-W1031 HydrophobicContact CB-CH2 3.65Å; K998-W1031 HydrophobicContact CB-CZ2 4.04Å; W1000-W1031 HydrophobicContact CB-CD2 4.14Å; W1000-W1031 HydrophobicContact CB-CE3 4.14Å; W1000-W1031 HydrophobicContact CB-CH2 3.77Å; W1000-W1031 HydrophobicContact CB-CZ2 3.77Å; W1000-W1031 HydrophobicContact CB-CZ3 3.94Å; W1000-W1031 HydrophobicContact CG-CD2 4.08Å; W1000-W1031 AromaticContact CG-CE2 3.99Å; W1000-W1031 HydrophobicContact CG-CE3 4.43Å; W1000-W1031 HydrophobicContact CG-CG 4.44Å; W1000-W1031 HydrophobicContact CG-CZ2 4.32Å; T1018-W1031 WeakPolarHBondContact CA-O 3.06Å; L1019-W1031 HydrophobicContact CB-CE3 4.35Å; L1019-W1031 HydrophobicContact CD2-CE3 4.06Å; L1019-W1031 HydrophobicContact CD2-CZ3 4.27Å; L1019-W1031 PolarHBondContact N-O 3.28Å; L1019-W1031 PolarHBondContact O-N 2.93Å; W1031-W1033 HydrophobicContact CD2-CB 3.76Å; W1031-W1033 VanDerWaalsContact CE2-CA 3.5Å; W1031-W1033 HydrophobicContact CE3-CB 3.71Å; W1031-W1033 HydrophobicContact CH2-CB 3.55Å; W1031-W1033 HydrophobicContact CZ2-CB 3.57Å; W1031-W1033 HydrophobicContact CZ3-CB 3.63Å; W1031-W1033 PolarHBondContact O-N 3.27Å; W1031-W1033 VanDerWaalsContact O-N 3.14Å
1032C89.4Confident88.4Confident17 Ų1751.8 Ų51.812%0.11525%0.249CC..EExtended strand (participates in β ladder)trans-78.294.7168.2-174.30000108.6Q1034 L1035 K1036 E1037C1032-Q1034 VanDerWaalsContact C-N 3.27Å; C1032-Q1034 PolarHBondContact O-N 3.5Å; C1032-L1035 HydrophobicContact CB-CB 4.49Å; C1032-L1035 PolarHBondContact O-N 3.28Å; C1032-K1036 WeakPolarHBondContact O-CA 3.45Å; C1032-K1036 PolarHBondContact O-N 2.95Å; C1032-E1037 HydrophobicContact CB-CB 4.35Å; C1032-E1037 PolarHBondContact N-O 3.32Å; C1032-E1037 PolarHBondContact O-N 3.09Å
1033W86.5Confident87.9Confident13 Ų1353.7 Ų53.75%0.04927%0.268CS..THydrogen-bonded Turntrans-70.7-22.3-165.463.8-92.8000113.9F976 V988 L997 K998 F1012 C1016 Q1017 W1031F976-W1033 HydrophobicContact CD1-CH2 4.04Å; F976-W1033 HydrophobicContact CD1-CZ2 4.3Å; F976-W1033 HydrophobicContact CD2-CZ2 4.21Å; F976-W1033 AromaticContact CE1-CH2 3.78Å; F976-W1033 HydrophobicContact CE1-CH2 3.78Å; F976-W1033 HydrophobicContact CE1-CZ2 4.32Å; F976-W1033 HydrophobicContact CE2-CH2 4.37Å; F976-W1033 HydrophobicContact CE2-CZ2 4.22Å; F976-W1033 HydrophobicContact CG-CH2 4.44Å; F976-W1033 HydrophobicContact CG-CZ2 4.25Å; F976-W1033 AromaticContact CZ-CH2 3.96Å; F976-W1033 HydrophobicContact CZ-CH2 3.96Å; F976-W1033 HydrophobicContact CZ-CZ2 4.27Å; V988-W1033 HydrophobicContact CG1-CD2 4.09Å; V988-W1033 HydrophobicContact CG1-CE3 4.17Å; V988-W1033 HydrophobicContact CG1-CZ2 4.45Å; V988-W1033 HydrophobicContact CG1-CZ3 4.37Å; V988-W1033 HydrophobicContact CG2-CB 4.36Å; V988-W1033 HydrophobicContact CG2-CG 4.26Å; L997-W1033 HydrophobicContact CD1-CH2 4.29Å; L997-W1033 HydrophobicContact CD1-CZ3 4.15Å; K998-W1033 HydrophobicContact CG-CE3 4.14Å; F1012-W1033 AromaticContact CE1-NE1 3.75Å; C1016-W1033 PolarHBondContact O-NE1 3Å; Q1017-W1033 PolarHBondContact O-N 3.48Å; Q1017-W1033 PolarHBondContact O-NE1 3.35Å; W1031-W1033 HydrophobicContact CD2-CB 3.76Å; W1031-W1033 VanDerWaalsContact CE2-CA 3.5Å; W1031-W1033 HydrophobicContact CE3-CB 3.71Å; W1031-W1033 HydrophobicContact CH2-CB 3.55Å; W1031-W1033 HydrophobicContact CZ2-CB 3.57Å; W1031-W1033 HydrophobicContact CZ3-CB 3.63Å; W1031-W1033 PolarHBondContact O-N 3.27Å; W1031-W1033 VanDerWaalsContact O-N 3.14Å
1034Q85.8Confident87.9Confident95 Ų9554.2 Ų54.244%0.44427%0.271SS..THydrogen-bonded Turntrans-77.8-43.4175.5-63.5-175.9-0.600112.1C1032C1032-Q1034 VanDerWaalsContact C-N 3.27Å; C1032-Q1034 PolarHBondContact O-N 3.5Å
1035L83.9Confident88Confident114 Ų11457.9 Ų57.960%0.59729%0.285SS*.THydrogen-bonded Turntrans-88.3-11.5-178.1-59.7177.4000113.1C1032 E1037C1032-L1035 HydrophobicContact CB-CB 4.49Å; C1032-L1035 PolarHBondContact O-N 3.28Å; L1035-E1037 HydrophobicContact CB-CG 4.15Å; L1035-E1037 PolarHBondContact O-N 3.31Å
1036K77.1Confident88.1Confident137 Ų13761 Ų6160%0.59630%0.298SS*.THydrogen-bonded Turntrans58.923.5-172-60.6-176.9173.9-174.90114.1C1032C1032-K1036 WeakPolarHBondContact O-CA 3.45Å; C1032-K1036 PolarHBondContact O-N 2.95Å
1037E85.1Confident88Confident130 Ų13060.1 Ų60.161%0.60729%0.293SS*.EExtended strand (participates in β ladder)trans-84.7139.4172.8-64.4-175.416700109.7C1032 L1035C1032-E1037 HydrophobicContact CB-CB 4.35Å; C1032-E1037 PolarHBondContact N-O 3.32Å; C1032-E1037 PolarHBondContact O-N 3.09Å; L1035-E1037 HydrophobicContact CB-CG 4.15Å; L1035-E1037 PolarHBondContact O-N 3.31Å
1038C86.9Confident88.1Confident34 Ų3459.2 Ų59.223%0.2329%0.288CS..EExtended strand (participates in β ladder)trans-133.2131.3-179.9-171.30000110.5W1000 V1030 F1040W1000-C1038 HydrophobicContact CZ2-CB 4.11Å; V1030-C1038 CarbonylContact O-C 3.56Å; V1030-C1038 WeakPolarHBondContact O-CA 3.48Å; C1038-F1040 HydrophobicContact CB-CE2 4.43Å; C1038-F1040 HydrophobicContact CB-CZ 4.44Å
1039V90.3Very high87.9Confident41 Ų4162.9 Ų62.925%0.24830%0.304CS..EExtended strand (participates in β ladder)trans-111.9128.3174.7-179.80000108.2V1030 L1041V1030-V1039 HydrophobicContact CB-CB 4.24Å; V1030-V1039 PolarHBondContact N-O 3.41Å; V1030-V1039 PolarHBondContact O-N 3.48Å; V1039-L1041 HydrophobicContact CG1-CD2 4.39Å
1040F90.9Very high87.8Confident89 Ų8964.6 Ų64.639%0.3931%0.313SS..EExtended strand (participates in β ladder)trans-102.3119.9-179.9-59.7-87.5000110.2V1027 Q1029 C1038 R1042V1027-F1040 HydrophobicContact CG1-CB 4.33Å; V1027-F1040 HydrophobicContact CG1-CD1 4.29Å; Q1029-F1040 HydrophobicContact CG-CD1 3.73Å; Q1029-F1040 HydrophobicContact CG-CE1 3.88Å; C1038-F1040 HydrophobicContact CB-CE2 4.43Å; C1038-F1040 HydrophobicContact CB-CZ 4.44Å; F1040-R1042 HydrophobicContact CB-CG 4.41Å
1041L91.6Very high87.9Confident1 Ų164.5 Ų64.51%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-91.7103.6175.3-51.8178.8000108.6I1028 V1030 V1039 L1059 W1071I1028-L1041 HydrophobicContact CB-CB 4.07Å; I1028-L1041 HydrophobicContact CB-CD1 4.05Å; I1028-L1041 HydrophobicContact CB-CG 4.41Å; I1028-L1041 HydrophobicContact CG2-CD1 4.05Å; I1028-L1041 PolarHBondContact N-O 3.39Å; I1028-L1041 PolarHBondContact O-N 3.01Å; V1030-L1041 HydrophobicContact CG2-CD1 3.88Å; V1030-L1041 HydrophobicContact CG2-CG 4.17Å; V1039-L1041 HydrophobicContact CG1-CD2 4.39Å; L1041-L1059 HydrophobicContact CD1-CD2 3.67Å; L1041-W1071 HydrophobicContact CB-CD2 4Å; L1041-W1071 HydrophobicContact CB-CE3 3.88Å; L1041-W1071 HydrophobicContact CB-CH2 4.41Å; L1041-W1071 HydrophobicContact CB-CZ3 4.09Å; L1041-W1071 HydrophobicContact CD1-CB 3.93Å; L1041-W1071 HydrophobicContact CD1-CD2 4.21Å; L1041-W1071 HydrophobicContact CD1-CG 3.89Å; L1041-W1071 HydrophobicContact CD2-CB 4.2Å; L1041-W1071 HydrophobicContact CD2-CD2 4.26Å; L1041-W1071 HydrophobicContact CD2-CE3 3.88Å; L1041-W1071 HydrophobicContact CD2-CG 4.42Å; L1041-W1071 HydrophobicContact CG-CD2 4.39Å; L1041-W1071 HydrophobicContact CG-CE3 4.34Å
1042R88.7Confident87.8Confident182 Ų18268.9 Ų68.969%0.68733%0.332SS*.EExtended strand (participates in β ladder)trans-114.2122.1-178.5-60.1-173.9-179.3-166.80.1110V1027 F1040V1027-R1042 HydrophobicContact CG1-CG 4.1Å; V1027-R1042 HydrophobicContact CG2-CG 4.07Å; F1040-R1042 HydrophobicContact CB-CG 4.41Å
1043G81Confident87.7Confident40 Ų4069.6 Ų69.641%0.41233%0.334SS..  trans173.4-14.8174.200000116.7K1069G1043-K1069 VanDerWaalsContact O-CE 3.26Å; G1043-K1069 WeakPolarHBondContact O-CE 3.41Å
1044H89.5Confident87.6Confident10 Ų1071.5 Ų71.55%0.04635%0.345CS..  trans-70.4151.7165.9-74.6-69000110.6S1026 V1048 S1061 S1063 D1065 T1067 K1069S1026-H1044 WeakPolarHBondContact CB-O 3.36Å; H1044-V1048 HydrophobicContact CB-CG2 4.22Å; H1044-S1061 PolarHBondContact NE2-OG 3.41Å; H1044-S1063 VanDerWaalsContact ND1-CB 3.25Å; H1044-S1063 WeakPolarHBondContact ND1-CB 3.44Å; H1044-D1065 IonicContact ND1-OD1 2.9Å; H1044-D1065 IonicContact ND1-OD2 3.51Å; H1044-D1065 PolarHBondContact ND1-OD2 3.02Å; H1044-T1067 PolarHBondContact CE1-OG1 3.5Å; H1044-T1067 VanDerWaalsContact CE1-OG1 3.29Å; H1044-T1067 PolarHBondContact ND1-OG1 3.21Å; H1044-K1069 WeakPolarHBondContact ND1-CE 3.42Å
1045K86.3Confident87.1Confident184 Ų18472.8 Ų72.880%0.835%0.351SS*.SBendtrans-93.4-34.1-179.3-65.2179.1-176.2171.40112.3D1065K1045-D1065 HydrophobicContact CB-CB 4.2Å; K1045-D1065 PolarHBondContact N-OD2 2.84Å
1046E88.9Confident86.5Confident108 Ų10871 Ų7151%0.50534%0.342SS..SBendtrans-114-174.5175-63-164.916700110.9S1026 S1063 F1064 D1065S1026-E1046 WeakPolarHBondContact CA-O 3.49Å; S1026-E1046 VanDerWaalsContact CB-O 3.29Å; S1026-E1046 WeakPolarHBondContact CB-O 3.45Å; E1046-S1063 PolarHBondContact O-OG 3.48Å; E1046-F1064 HydrophobicContact CB-CB 4.36Å; E1046-D1065 HydrophobicContact CB-CB 4.03Å; E1046-D1065 HydrophobicContact CG-CB 4.08Å
1047A87.9Confident86.8Confident23 Ų2366.1 Ų66.119%0.1933%0.325CS..  trans-61.1140.2-179.900000111.5D1025 K1049 S1063 F1064D1025-A1047 VanDerWaalsContact O-CA 3.3Å; D1025-A1047 WeakPolarHBondContact O-CA 3.33Å; A1047-K1049 PolarHBondContact O-N 3.16Å; A1047-S1063 WeakPolarHBondContact O-CB 3.34Å; A1047-S1063 PolarHBondContact O-OG 2.9Å; A1047-F1064 HydrophobicContact CB-CD2 3.97Å; A1047-F1064 HydrophobicContact CB-CE2 4.33Å; A1047-F1064 VanDerWaalsContact O-CD2 3.28Å; A1047-F1064 WeakPolarHBondContact O-CD2 3.42Å; A1047-F1064 PolarHBondContact O-N 3.25Å
1048V91.3Very high87Confident3 Ų363.1 Ų63.12%0.01831%0.31CS..EExtended strand (participates in β ladder)trans-72.6128.4174.2179.70000108.3D1025 I1028 H1044 W1062D1025-V1048 PolarHBondContact O-N 2.69Å; I1028-V1048 HydrophobicContact CD1-CG1 3.94Å; I1028-V1048 HydrophobicContact CD1-CG2 4.3Å; I1028-V1048 HydrophobicContact CG1-CB 4.44Å; I1028-V1048 HydrophobicContact CG1-CG1 4.16Å; I1028-V1048 HydrophobicContact CG1-CG2 3.98Å; H1044-V1048 HydrophobicContact CB-CG2 4.22Å; V1048-W1062 WeakPolarHBondContact CG1-O 3.33Å
1049K89.9Confident87.2Confident77 Ų7761.5 Ų61.534%0.33530%0.299SS..EExtended strand (participates in β ladder)trans-77.3-47.8-179174.267.8-154.284.90110.9A1047 W1062 F1064A1047-K1049 PolarHBondContact O-N 3.16Å; K1049-W1062 PolarHBondContact N-O 3.42Å; K1049-F1064 HydrophobicContact CB-CE2 4.28Å; K1049-F1064 HydrophobicContact CB-CZ 4.32Å; K1049-F1064 HydrophobicContact CD-CD1 4.49Å; K1049-F1064 HydrophobicContact CD-CE1 3.58Å; K1049-F1064 HydrophobicContact CD-CE2 4Å; K1049-F1064 HydrophobicContact CD-CZ 3.29Å; K1049-F1064 HydrophobicContact CG-CZ 4.36Å
1050D89.8Confident87.4Confident46 Ų4659.5 Ų59.525%0.24629%0.287CS..EExtended strand (participates in β ladder)trans-169.5175.3177.8-153.7-5000111.3H1009 W1062H1009-D1050 IonicContact CD2-OD1 3.91Å; H1009-D1050 PolarHBondContact CD2-OD1 2.8Å; H1009-D1050 VanDerWaalsContact CD2-OD1 3.23Å; H1009-D1050 IonicContact CG-OD1 3.49Å; H1009-D1050 IonicContact NE2-OD1 3.8Å; D1050-W1062 HydrophobicContact CB-CH2 4.36Å; D1050-W1062 HydrophobicContact CB-CZ2 3.55Å; D1050-W1062 PolarHBondContact N-O 3.37Å; D1050-W1062 PolarHBondContact O-N 2.93Å; D1050-W1062 VanDerWaalsContact O-N 3.09Å
1051F92.5Very high87.5Confident5 Ų555.3 Ų55.32%0.02227%0.269CS..EExtended strand (participates in β ladder)trans-147.8163.3176.963.6-99.3000112.7H1009 Q1011 I1020 S1022 I1028 L1059 L1060H1009-F1051 HydrophobicContact CB-CE1 4.22Å; H1009-F1051 AromaticContact CD2-CE1 3.72Å; H1009-F1051 AromaticContact CD2-CE2 3.83Å; H1009-F1051 AromaticContact CD2-CZ 3.5Å; Q1011-F1051 HydrophobicContact CB-CE2 3.91Å; Q1011-F1051 HydrophobicContact CB-CZ 4.4Å; I1020-F1051 HydrophobicContact CB-CE2 3.83Å; I1020-F1051 HydrophobicContact CB-CZ 3.99Å; I1020-F1051 HydrophobicContact CG2-CD2 4.03Å; I1020-F1051 HydrophobicContact CG2-CE1 4.17Å; I1020-F1051 HydrophobicContact CG2-CE2 3.48Å; I1020-F1051 VanDerWaalsContact CG2-CE2 3.48Å; I1020-F1051 HydrophobicContact CG2-CZ 3.57Å; S1022-F1051 WeakPolarHBondContact OG-CE1 3.46Å; I1028-F1051 HydrophobicContact CD1-CB 4.37Å; I1028-F1051 HydrophobicContact CD1-CD1 4.45Å; I1028-F1051 HydrophobicContact CG2-CD1 4.38Å; I1028-F1051 HydrophobicContact CG2-CE1 4.48Å; F1051-L1059 HydrophobicContact CB-CD1 4.1Å; F1051-L1059 HydrophobicContact CB-CD2 4.35Å; F1051-L1059 HydrophobicContact CB-CG 4.33Å; F1051-L1059 HydrophobicContact CD2-CD1 3.49Å; F1051-L1059 VanDerWaalsContact CD2-CD1 3.49Å; F1051-L1059 HydrophobicContact CD2-CD2 4.4Å; F1051-L1059 HydrophobicContact CD2-CG 4.43Å; F1051-L1059 HydrophobicContact CE2-CD1 4.31Å; F1051-L1059 HydrophobicContact CG-CD1 4.12Å; F1051-L1059 HydrophobicContact CG-CD2 4.41Å; F1051-L1060 CarbonylContact C-O 3.59Å; F1051-L1060 WeakPolarHBondContact CA-O 3.38Å; F1051-L1060 WeakPolarHBondContact CB-O 3.23Å
1052K89.7Confident87.6Confident98 Ų9855.8 Ų55.843%0.42627%0.27SS..EExtended strand (participates in β ladder)trans-141.9133.1176.1-173.3168.7-176.7171.40111.8L1059 L1060 W1062K1052-L1059 WeakPolarHBondContact O-CD1 3.32Å; K1052-L1060 PolarHBondContact N-O 3.33Å; K1052-L1060 PolarHBondContact O-N 2.86Å; K1052-W1062 HydrophobicContact CB-CH2 4.14Å; K1052-W1062 HydrophobicContact CB-CZ3 4.06Å
1053L89.3Confident87.8Confident31 Ų3147.1 Ų47.116%0.16224%0.238CC..EExtended strand (participates in β ladder)trans-71.1129.3172.4-166.669.6000110.8T1013 I1020 E1055 L1059T1013-L1053 HydrophobicContact CG2-CD2 4.31Å; I1020-L1053 HydrophobicContact CD1-CD1 3.85Å; L1053-E1055 VanDerWaalsContact CD1-O 3.28Å; L1053-E1055 WeakPolarHBondContact CD1-O 3.32Å; L1053-L1059 HydrophobicContact CD1-CD1 4.49Å
1054L84Confident88.3Confident53 Ų5348.1 Ų48.128%0.27723%0.231SC..EExtended strand (participates in β ladder)trans-94-55.3177-65.2172000110.5K1058 L1060 V1070 V1094 F1115L1054-K1058 HydrophobicContact CB-CB 4.22Å; L1054-K1058 HydrophobicContact CD1-CB 4.31Å; L1054-K1058 PolarHBondContact N-O 3.45Å; L1054-L1060 HydrophobicContact CD1-CB 4.21Å; L1054-L1060 HydrophobicContact CD2-CB 4.36Å; L1054-L1060 HydrophobicContact CG-CB 4.18Å; L1054-V1070 HydrophobicContact CD1-CG1 4.26Å; L1054-V1094 HydrophobicContact CD2-CB 4.15Å; L1054-V1094 HydrophobicContact CD2-CG1 3.68Å; L1054-V1094 HydrophobicContact CD2-CG2 3.49Å; L1054-V1094 VanDerWaalsContact CD2-CG2 3.49Å; L1054-F1115 HydrophobicContact CD1-CE1 4.18Å; L1054-F1115 HydrophobicContact CD1-CZ 4.12Å; L1054-F1115 HydrophobicContact CD2-CZ 4.1Å
1055E75.3Confident88.4Confident123 Ų12349.2 Ų49.258%0.57524%0.237SC*.EExtended strand (participates in β ladder)trans-137.6164.9176-66.1178.8178.400107L1053 S1057 K1058L1053-E1055 VanDerWaalsContact CD1-O 3.28Å; L1053-E1055 WeakPolarHBondContact CD1-O 3.32Å; E1055-S1057 PolarHBondContact O-N 3.23Å; E1055-K1058 PolarHBondContact N-O 3.36Å; E1055-K1058 PolarHBondContact O-N 3.36Å; E1055-K1058 VanDerWaalsContact O-O 3.05Å
1056N71.4Confident88.6Confident77 Ų7740.5 Ų40.541%0.41220%0.199SC..THydrogen-bonded Turntrans-58.5-6.8176.4-73.6-14.1000114.8S1014 I1073S1014-N1056 WeakPolarHBondContact CB-OD1 3.21Å; S1014-N1056 PolarHBondContact N-OD1 2.86Å; S1014-N1056 PolarHBondContact OG-ND2 3.41Å; S1014-N1056 PolarHBondContact OG-OD1 3.15Å; N1056-I1073 WeakPolarHBondContact O-CD1 3.41Å
1057S81.7Confident88.8Confident34 Ų3436 Ų3624%0.23818%0.179CC..THydrogen-bonded Turntrans-111.8-14.3174.4700000114.4E1055 N1072 I1073E1055-S1057 PolarHBondContact O-N 3.23Å; S1057-N1072 CarbonylContact O-C 3.53Å; S1057-N1072 WeakPolarHBondContact O-CA 3.3Å; S1057-I1073 PolarHBondContact O-N 2.8Å
1058K89.5Confident89Confident66 Ų6634.9 Ų34.929%0.28717%0.17SC..EExtended strand (participates in β ladder)trans-128.7136.1-169.9-64.4-168.1-173.4-154.50113.6L1054 E1055 W1071 E1079L1054-K1058 HydrophobicContact CB-CB 4.22Å; L1054-K1058 HydrophobicContact CD1-CB 4.31Å; L1054-K1058 PolarHBondContact N-O 3.45Å; E1055-K1058 PolarHBondContact N-O 3.36Å; E1055-K1058 PolarHBondContact O-N 3.36Å; E1055-K1058 VanDerWaalsContact O-O 3.05Å; K1058-W1071 CarbonylContact C-O 3.51Å; K1058-W1071 VanDerWaalsContact CA-O 3.24Å; K1058-W1071 WeakPolarHBondContact CA-O 3.19Å; K1058-E1079 VanDerWaalsContact CE-OE2 3.24Å; K1058-E1079 WeakPolarHBondContact CE-OE2 3.46Å; K1058-E1079 IonicContact NZ-OE1 2.91Å; K1058-E1079 IonicContact NZ-OE2 2.9Å; K1058-E1079 PolarHBondContact NZ-OE2 2.86Å
1059L92.2Very high89.1Confident0 Ų035.2 Ų35.20%017%0.171CC..EExtended strand (participates in β ladder)trans-125132.8-179.1-178.774.5000110.7I1020 I1028 L1041 F1051 K1052 L1053 V1070 W1071 I1073I1020-L1059 HydrophobicContact CD1-CD1 3.98Å; I1020-L1059 HydrophobicContact CG2-CD1 4.45Å; I1020-L1059 HydrophobicContact CG2-CD2 3.94Å; I1028-L1059 HydrophobicContact CD1-CD2 4.22Å; I1028-L1059 HydrophobicContact CG2-CD2 4.05Å; L1041-L1059 HydrophobicContact CD1-CD2 3.67Å; F1051-L1059 HydrophobicContact CB-CD1 4.1Å; F1051-L1059 HydrophobicContact CB-CD2 4.35Å; F1051-L1059 HydrophobicContact CB-CG 4.33Å; F1051-L1059 HydrophobicContact CD2-CD1 3.49Å; F1051-L1059 VanDerWaalsContact CD2-CD1 3.49Å; F1051-L1059 HydrophobicContact CD2-CD2 4.4Å; F1051-L1059 HydrophobicContact CD2-CG 4.43Å; F1051-L1059 HydrophobicContact CE2-CD1 4.31Å; F1051-L1059 HydrophobicContact CG-CD1 4.12Å; F1051-L1059 HydrophobicContact CG-CD2 4.41Å; K1052-L1059 WeakPolarHBondContact O-CD1 3.32Å; L1053-L1059 HydrophobicContact CD1-CD1 4.49Å; L1059-V1070 CarbonylContact O-C 3.15Å; L1059-V1070 WeakPolarHBondContact O-CA 3.2Å; L1059-W1071 HydrophobicContact CB-CB 4.29Å; L1059-W1071 PolarHBondContact N-O 2.89Å; L1059-W1071 PolarHBondContact O-N 2.85Å; L1059-I1073 HydrophobicContact CB-CG2 3.67Å
1060L93.3Very high89.2Confident0 Ų031.7 Ų31.70%016%0.156CC..EExtended strand (participates in β ladder)trans-97.1129.2169.2-173.171.8000109.2F1051 K1052 L1054 W1062 V1068 K1069 V1070 C1092 V1094 F1101 F1115F1051-L1060 CarbonylContact C-O 3.59Å; F1051-L1060 WeakPolarHBondContact CA-O 3.38Å; F1051-L1060 WeakPolarHBondContact CB-O 3.23Å; K1052-L1060 PolarHBondContact N-O 3.33Å; K1052-L1060 PolarHBondContact O-N 2.86Å; L1054-L1060 HydrophobicContact CD1-CB 4.21Å; L1054-L1060 HydrophobicContact CD2-CB 4.36Å; L1054-L1060 HydrophobicContact CG-CB 4.18Å; L1060-W1062 HydrophobicContact CD2-CZ3 4.39Å; L1060-W1062 HydrophobicContact CG-CE3 4.46Å; L1060-V1068 HydrophobicContact CD1-CG1 3.48Å; L1060-V1068 VanDerWaalsContact CD1-CG1 3.48Å; L1060-V1068 HydrophobicContact CG-CG1 4.04Å; L1060-K1069 CarbonylContact C-O 3.52Å; L1060-K1069 WeakPolarHBondContact CA-O 3.34Å; L1060-V1070 HydrophobicContact CD1-CG2 3.69Å; L1060-C1092 HydrophobicContact CD2-CB 4.38Å; L1060-V1094 HydrophobicContact CD2-CG2 3.64Å; L1060-F1101 HydrophobicContact CD2-CB 4.49Å; L1060-F1115 HydrophobicContact CD1-CE1 4.13Å; L1060-F1115 HydrophobicContact CD1-CZ 4.5Å
1061S93.6Very high89.3Confident0 Ų029.7 Ų29.70%015%0.145CC..EExtended strand (participates in β ladder)trans-129.6152.4174.266.90000111.9I1028 H1044 V1068 K1069 W1071I1028-S1061 VanDerWaalsContact CD1-CB 3.41Å; H1044-S1061 PolarHBondContact NE2-OG 3.41Å; S1061-V1068 CarbonylContact O-C 3.57Å; S1061-V1068 VanDerWaalsContact O-CA 3.3Å; S1061-V1068 WeakPolarHBondContact O-CA 3.5Å; S1061-K1069 PolarHBondContact N-O 2.84Å; S1061-K1069 PolarHBondContact O-N 3.41Å; S1061-W1071 PolarHBondContact OG-NE1 3.11Å
1062W93.9Very high89.3Confident11 Ų1130.8 Ų30.84%0.04215%0.151CC..EExtended strand (participates in β ladder)trans-137.3151175.555.796.1000111.4V1048 K1049 D1050 K1052 L1060 T1067 V1068 V1089 C1092V1048-W1062 WeakPolarHBondContact CG1-O 3.33Å; K1049-W1062 PolarHBondContact N-O 3.42Å; D1050-W1062 HydrophobicContact CB-CH2 4.36Å; D1050-W1062 HydrophobicContact CB-CZ2 3.55Å; D1050-W1062 PolarHBondContact N-O 3.37Å; D1050-W1062 PolarHBondContact O-N 2.93Å; D1050-W1062 VanDerWaalsContact O-N 3.09Å; K1052-W1062 HydrophobicContact CB-CH2 4.14Å; K1052-W1062 HydrophobicContact CB-CZ3 4.06Å; L1060-W1062 HydrophobicContact CD2-CZ3 4.39Å; L1060-W1062 HydrophobicContact CG-CE3 4.46Å; W1062-T1067 WeakPolarHBondContact CA-O 3.42Å; W1062-V1068 HydrophobicContact CB-CG2 4.02Å; W1062-V1089 HydrophobicContact CB-CB 4.24Å; W1062-V1089 HydrophobicContact CB-CG1 3.87Å; W1062-V1089 HydrophobicContact CG-CG1 4.14Å; W1062-C1092 HydrophobicContact CD2-CB 3.79Å; W1062-C1092 HydrophobicContact CE3-CB 3.58Å; W1062-C1092 HydrophobicContact CG-CB 4.39Å; W1062-C1092 HydrophobicContact CH2-CB 4.23Å; W1062-C1092 HydrophobicContact CZ2-CB 4.39Å; W1062-C1092 HydrophobicContact CZ3-CB 3.83Å
1063S93.9Very high89.2Confident0 Ų026.5 Ų26.50%013%0.133CC..EExtended strand (participates in β ladder)trans-134.2163.3-169.9172.80000112.3H1044 E1046 A1047 D1065 G1066 T1067 V1089H1044-S1063 VanDerWaalsContact ND1-CB 3.25Å; H1044-S1063 WeakPolarHBondContact ND1-CB 3.44Å; E1046-S1063 PolarHBondContact O-OG 3.48Å; A1047-S1063 WeakPolarHBondContact O-CB 3.34Å; A1047-S1063 PolarHBondContact O-OG 2.9Å; S1063-D1065 VanDerWaalsContact CB-OD1 3.29Å; S1063-D1065 WeakPolarHBondContact CB-OD1 3.46Å; S1063-D1065 PolarHBondContact O-N 3.29Å; S1063-D1065 PolarHBondContact OG-N 3.17Å; S1063-D1065 PolarHBondContact OG-OD1 3.45Å; S1063-G1066 PolarHBondContact O-N 3.22Å; S1063-T1067 PolarHBondContact N-O 2.83Å; S1063-V1089 PolarHBondContact O-N 2.81Å
1064F91.3Very high89Confident62 Ų6231 Ų3127%0.27216%0.156SC..THydrogen-bonded Turntrans-61.3-17169.6-64.6-70.1000112.9E1046 A1047 K1049 G1066 T1088E1046-F1064 HydrophobicContact CB-CB 4.36Å; A1047-F1064 HydrophobicContact CB-CD2 3.97Å; A1047-F1064 HydrophobicContact CB-CE2 4.33Å; A1047-F1064 VanDerWaalsContact O-CD2 3.28Å; A1047-F1064 WeakPolarHBondContact O-CD2 3.42Å; A1047-F1064 PolarHBondContact O-N 3.25Å; K1049-F1064 HydrophobicContact CB-CE2 4.28Å; K1049-F1064 HydrophobicContact CB-CZ 4.32Å; K1049-F1064 HydrophobicContact CD-CD1 4.49Å; K1049-F1064 HydrophobicContact CD-CE1 3.58Å; K1049-F1064 HydrophobicContact CD-CE2 4Å; K1049-F1064 HydrophobicContact CD-CZ 3.29Å; K1049-F1064 HydrophobicContact CG-CZ 4.36Å; F1064-G1066 PolarHBondContact O-N 2.73Å; F1064-G1066 VanDerWaalsContact O-N 3.15Å; F1064-T1088 HydrophobicContact CB-CG2 3.97Å; F1064-T1088 HydrophobicContact CD1-CG2 3.69Å; F1064-T1088 HydrophobicContact CG-CG2 4.33Å; F1064-T1088 WeakPolarHBondContact O-CA 3.3Å; F1064-T1088 WeakPolarHBondContact O-CG2 3.47Å
1065D90.6Very high89.1Confident33 Ų3332.5 Ų32.518%0.17617%0.167CC..THydrogen-bonded Turntrans-74.44.6176.870.18.8000115.5H1044 K1045 E1046 S1063 T1067H1044-D1065 IonicContact ND1-OD1 2.9Å; H1044-D1065 IonicContact ND1-OD2 3.51Å; H1044-D1065 PolarHBondContact ND1-OD2 3.02Å; K1045-D1065 HydrophobicContact CB-CB 4.2Å; K1045-D1065 PolarHBondContact N-OD2 2.84Å; E1046-D1065 HydrophobicContact CB-CB 4.03Å; E1046-D1065 HydrophobicContact CG-CB 4.08Å; S1063-D1065 VanDerWaalsContact CB-OD1 3.29Å; S1063-D1065 WeakPolarHBondContact CB-OD1 3.46Å; S1063-D1065 PolarHBondContact O-N 3.29Å; S1063-D1065 PolarHBondContact OG-N 3.17Å; S1063-D1065 PolarHBondContact OG-OD1 3.45Å; D1065-T1067 VanDerWaalsContact C-N 3.32Å; D1065-T1067 VanDerWaalsContact CG-OG1 3.26Å; D1065-T1067 PolarHBondContact O-N 3.38Å; D1065-T1067 WeakPolarHBondContact OD1-CA 3.4Å; D1065-T1067 VanDerWaalsContact OD1-CB 3.25Å; D1065-T1067 WeakPolarHBondContact OD1-CB 3.33Å; D1065-T1067 WeakPolarHBondContact OD1-CG2 3.28Å; D1065-T1067 PolarHBondContact OD1-N 3.35Å; D1065-T1067 PolarHBondContact OD1-OG1 3.46Å; D1065-T1067 PolarHBondContact OD2-OG1 2.95Å
1066G90.3Very high89.5Confident0 Ų027.4 Ų27.40%015%0.147CC..SBendtrans82.73.3-179.400000114.7S1063 F1064 C1084 H1085 D1087S1063-G1066 PolarHBondContact O-N 3.22Å; F1064-G1066 PolarHBondContact O-N 2.73Å; F1064-G1066 VanDerWaalsContact O-N 3.15Å; G1066-C1084 PolarHBondContact O-N 2.8Å; G1066-C1084 VanDerWaalsContact O-N 3.15Å; G1066-H1085 PolarHBondContact O-N 3.17Å; G1066-D1087 VanDerWaalsContact CA-O 3.3Å; G1066-D1087 WeakPolarHBondContact CA-O 3.42Å
1067T92.8Very high90.3Very high13 Ų1331 Ų318%0.0816%0.159CC..EExtended strand (participates in β ladder)trans-106.9148.3-174.573.70000114H1044 W1062 S1063 D1065 F1082 T1083H1044-T1067 PolarHBondContact CE1-OG1 3.5Å; H1044-T1067 VanDerWaalsContact CE1-OG1 3.29Å; H1044-T1067 PolarHBondContact ND1-OG1 3.21Å; W1062-T1067 WeakPolarHBondContact CA-O 3.42Å; S1063-T1067 PolarHBondContact N-O 2.83Å; D1065-T1067 VanDerWaalsContact C-N 3.32Å; D1065-T1067 VanDerWaalsContact CG-OG1 3.26Å; D1065-T1067 PolarHBondContact O-N 3.38Å; D1065-T1067 WeakPolarHBondContact OD1-CA 3.4Å; D1065-T1067 VanDerWaalsContact OD1-CB 3.25Å; D1065-T1067 WeakPolarHBondContact OD1-CB 3.33Å; D1065-T1067 WeakPolarHBondContact OD1-CG2 3.28Å; D1065-T1067 PolarHBondContact OD1-N 3.35Å; D1065-T1067 PolarHBondContact OD1-OG1 3.46Å; D1065-T1067 PolarHBondContact OD2-OG1 2.95Å; T1067-F1082 CarbonylContact C-O 3.58Å; T1067-F1082 VanDerWaalsContact CA-O 3.3Å; T1067-F1082 WeakPolarHBondContact CA-O 3.41Å; T1067-T1083 HydrophobicContact CG2-CG2 4.15Å
1068V93.9Very high90.7Very high0 Ų031.8 Ų31.80%017%0.168CC..EExtended strand (participates in β ladder)trans-120.1130.7171-177.80000108.3L1060 S1061 W1062 F1082 C1084 V1089 F1101L1060-V1068 HydrophobicContact CD1-CG1 3.48Å; L1060-V1068 VanDerWaalsContact CD1-CG1 3.48Å; L1060-V1068 HydrophobicContact CG-CG1 4.04Å; S1061-V1068 CarbonylContact O-C 3.57Å; S1061-V1068 VanDerWaalsContact O-CA 3.3Å; S1061-V1068 WeakPolarHBondContact O-CA 3.5Å; W1062-V1068 HydrophobicContact CB-CG2 4.02Å; V1068-F1082 HydrophobicContact CB-CB 4.34Å; V1068-F1082 PolarHBondContact N-O 3.01Å; V1068-F1082 WeakPolarHBondContact O-CB 3.4Å; V1068-F1082 PolarHBondContact O-N 3.02Å; V1068-C1084 HydrophobicContact CG2-CB 4.43Å; V1068-C1084 VanDerWaalsContact CG2-SG 3.58Å; V1068-V1089 HydrophobicContact CG2-CG1 4.3Å; V1068-V1089 HydrophobicContact CG2-CG2 4.47Å; V1068-F1101 HydrophobicContact CB-CE2 4.29Å; V1068-F1101 HydrophobicContact CG1-CD2 4.45Å; V1068-F1101 HydrophobicContact CG1-CE2 3.93Å; V1068-F1101 HydrophobicContact CG1-CZ 4.38Å; V1068-F1101 HydrophobicContact CG2-CE2 4.48Å
1069K92.7Very high90.6Very high10 Ų1032.5 Ų32.54%0.04317%0.173CC..EExtended strand (participates in β ladder)trans-127.5144.1-176.2-65-179.1-164.5-63.60111.6G1043 H1044 L1060 S1061 W1071 K1080 D1081G1043-K1069 VanDerWaalsContact O-CE 3.26Å; G1043-K1069 WeakPolarHBondContact O-CE 3.41Å; H1044-K1069 WeakPolarHBondContact ND1-CE 3.42Å; L1060-K1069 CarbonylContact C-O 3.52Å; L1060-K1069 WeakPolarHBondContact CA-O 3.34Å; S1061-K1069 PolarHBondContact N-O 2.84Å; S1061-K1069 PolarHBondContact O-N 3.41Å; K1069-W1071 HydrophobicContact CB-CZ2 4.04Å; K1069-W1071 HydrophobicContact CD-CH2 4.19Å; K1069-W1071 HydrophobicContact CD-CZ2 3.55Å; K1069-W1071 HydrophobicContact CG-CZ2 4.44Å; K1069-K1080 WeakPolarHBondContact CA-O 3.24Å; K1069-D1081 IonicContact NZ-OD1 3.73Å; K1069-D1081 PolarHBondContact NZ-OD1 2.95Å; K1069-D1081 IonicContact NZ-OD2 2.74Å; K1069-D1081 PolarHBondContact NZ-OD2 3.16Å
1070V92.3Very high90.4Very high4 Ų436.4 Ų36.42%0.02419%0.189CC..EExtended strand (participates in β ladder)trans-109122.4172.6-178.40000108.7L1054 L1059 L1060 A1078 E1079 K1080 F1082 F1115L1054-V1070 HydrophobicContact CD1-CG1 4.26Å; L1059-V1070 CarbonylContact O-C 3.15Å; L1059-V1070 WeakPolarHBondContact O-CA 3.2Å; L1060-V1070 HydrophobicContact CD1-CG2 3.69Å; V1070-A1078 CarbonylContact O-C 3.51Å; V1070-E1079 PolarHBondContact O-N 2.56Å; V1070-K1080 HydrophobicContact CB-CB 4.16Å; V1070-K1080 HydrophobicContact CG2-CB 4.36Å; V1070-K1080 PolarHBondContact N-O 3.46Å; V1070-K1080 PolarHBondContact O-N 3.38Å; V1070-F1082 HydrophobicContact CG2-CE2 4.07Å; V1070-F1115 HydrophobicContact CG2-CD1 4.07Å; V1070-F1115 HydrophobicContact CG2-CE1 3.75Å
1071W92.2Very high90.3Very high4 Ų440.9 Ų40.92%0.01521%0.213CC..EExtended strand (participates in β ladder)trans-112149.6-175.4-56.390.8000111.4L1041 K1058 L1059 S1061 K1069 A1078L1041-W1071 HydrophobicContact CB-CD2 4Å; L1041-W1071 HydrophobicContact CB-CE3 3.88Å; L1041-W1071 HydrophobicContact CB-CH2 4.41Å; L1041-W1071 HydrophobicContact CB-CZ3 4.09Å; L1041-W1071 HydrophobicContact CD1-CB 3.93Å; L1041-W1071 HydrophobicContact CD1-CD2 4.21Å; L1041-W1071 HydrophobicContact CD1-CG 3.89Å; L1041-W1071 HydrophobicContact CD2-CB 4.2Å; L1041-W1071 HydrophobicContact CD2-CD2 4.26Å; L1041-W1071 HydrophobicContact CD2-CE3 3.88Å; L1041-W1071 HydrophobicContact CD2-CG 4.42Å; L1041-W1071 HydrophobicContact CG-CD2 4.39Å; L1041-W1071 HydrophobicContact CG-CE3 4.34Å; K1058-W1071 CarbonylContact C-O 3.51Å; K1058-W1071 VanDerWaalsContact CA-O 3.24Å; K1058-W1071 WeakPolarHBondContact CA-O 3.19Å; L1059-W1071 HydrophobicContact CB-CB 4.29Å; L1059-W1071 PolarHBondContact N-O 2.89Å; L1059-W1071 PolarHBondContact O-N 2.85Å; S1061-W1071 PolarHBondContact OG-NE1 3.11Å; K1069-W1071 HydrophobicContact CB-CZ2 4.04Å; K1069-W1071 HydrophobicContact CD-CH2 4.19Å; K1069-W1071 HydrophobicContact CD-CZ2 3.55Å; K1069-W1071 HydrophobicContact CG-CZ2 4.44Å; W1071-A1078 HydrophobicContact CD2-CB 4.36Å; W1071-A1078 HydrophobicContact CE3-CB 3.8Å; W1071-A1078 HydrophobicContact CH2-CB 4.08Å; W1071-A1078 HydrophobicContact CZ3-CB 3.65Å
1072N91.2Very high90.1Very high27 Ų2741.1 Ų41.114%0.14422%0.215CC..EExtended strand (participates in β ladder)trans-96.5114163.5-174-64.6000109.1S1057 I1074 T1075 G1076 K1077 E1079S1057-N1072 CarbonylContact O-C 3.53Å; S1057-N1072 WeakPolarHBondContact O-CA 3.3Å; N1072-I1074 VanDerWaalsContact C-N 3.27Å; N1072-I1074 PolarHBondContact O-N 3.5Å; N1072-I1074 PolarHBondContact OD1-N 2.87Å; N1072-T1075 WeakPolarHBondContact CB-OG1 3.32Å; N1072-T1075 PolarHBondContact O-N 2.87Å; N1072-T1075 PolarHBondContact OD1-N 2.93Å; N1072-T1075 VanDerWaalsContact OD1-N 3.09Å; N1072-T1075 PolarHBondContact OD1-OG1 3.1Å; N1072-G1076 WeakPolarHBondContact O-CA 3.29Å; N1072-G1076 PolarHBondContact O-N 2.86Å; N1072-K1077 PolarHBondContact N-O 3.38Å; N1072-E1079 HydrophobicContact CB-CG 4.11Å; N1072-E1079 WeakPolarHBondContact CB-OE1 3.49Å; N1072-E1079 PolarHBondContact ND2-OE1 3.38Å; N1072-E1079 VanDerWaalsContact ND2-OE1 3.11Å
1073I87.7Confident89.8Confident8 Ų846 Ų464%0.04125%0.246CC..THydrogen-bonded Turntrans-70.7-23.5-170.169.8173.5000113.2T1013 I1020 V1030 N1056 S1057 L1059T1013-I1073 HydrophobicContact CG2-CD1 3.98Å; I1020-I1073 HydrophobicContact CD1-CG2 4.28Å; V1030-I1073 HydrophobicContact CG1-CB 4.15Å; V1030-I1073 HydrophobicContact CG2-CB 4.22Å; V1030-I1073 HydrophobicContact CG2-CG2 4.36Å; N1056-I1073 WeakPolarHBondContact O-CD1 3.41Å; S1057-I1073 PolarHBondContact O-N 2.8Å; L1059-I1073 HydrophobicContact CB-CG2 3.67Å
1074I85.6Confident89.4Confident126 Ų12646.2 Ų46.265%0.64625%0.247SC*.THydrogen-bonded Turntrans-79.5-43.6-179.5-56.7171.6000110.1N1072N1072-I1074 VanDerWaalsContact C-N 3.27Å; N1072-I1074 PolarHBondContact O-N 3.5Å; N1072-I1074 PolarHBondContact OD1-N 2.87Å
1075T85.6Confident89.3Confident85 Ų8544 Ų4452%0.52124%0.238SC..THydrogen-bonded Turntrans-91.6-17.9-175.663.20000113.8N1072 K1077N1072-T1075 WeakPolarHBondContact CB-OG1 3.32Å; N1072-T1075 PolarHBondContact O-N 2.87Å; N1072-T1075 PolarHBondContact OD1-N 2.93Å; N1072-T1075 VanDerWaalsContact OD1-N 3.09Å; N1072-T1075 PolarHBondContact OD1-OG1 3.1Å; T1075-K1077 PolarHBondContact O-N 2.99Å
1076G84.6Confident89Confident15 Ų1546.6 Ų46.616%0.15527%0.272CS..  trans74.29.3-17700000114.9N1072N1072-G1076 WeakPolarHBondContact O-CA 3.29Å; N1072-G1076 PolarHBondContact O-N 2.86Å
1077K87.4Confident88.9Confident152 Ų15250.3 Ų50.366%0.66129%0.292SS*.  trans-95141.9-176.7-67.8-174.9177.8-179.80111.7N1072 T1075 E1079N1072-K1077 PolarHBondContact N-O 3.38Å; T1075-K1077 PolarHBondContact O-N 2.99Å; K1077-E1079 PolarHBondContact O-N 2.88Å
1078A89.8Confident88.9Confident51 Ų5151.1 Ų51.142%0.42130%0.297SS..EExtended strand (participates in β ladder)trans-72.4117166.400000108.9V1070 W1071V1070-A1078 CarbonylContact O-C 3.51Å; W1071-A1078 HydrophobicContact CD2-CB 4.36Å; W1071-A1078 HydrophobicContact CE3-CB 3.8Å; W1071-A1078 HydrophobicContact CH2-CB 4.08Å; W1071-A1078 HydrophobicContact CZ3-CB 3.65Å
1079E88.4Confident88.9Confident82 Ų8251.1 Ų51.138%0.38330%0.297SS..EExtended strand (participates in β ladder)trans-79.4-38.7174.1-66.8-172175.500110.9K1058 V1070 N1072 K1077K1058-E1079 VanDerWaalsContact CE-OE2 3.24Å; K1058-E1079 WeakPolarHBondContact CE-OE2 3.46Å; K1058-E1079 IonicContact NZ-OE1 2.91Å; K1058-E1079 IonicContact NZ-OE2 2.9Å; K1058-E1079 PolarHBondContact NZ-OE2 2.86Å; V1070-E1079 PolarHBondContact O-N 2.56Å; N1072-E1079 HydrophobicContact CB-CG 4.11Å; N1072-E1079 WeakPolarHBondContact CB-OE1 3.49Å; N1072-E1079 PolarHBondContact ND2-OE1 3.38Å; N1072-E1079 VanDerWaalsContact ND2-OE1 3.11Å; K1077-E1079 PolarHBondContact O-N 2.88Å
1080K87.6Confident88.8Confident81 Ų8152.5 Ų52.535%0.35231%0.305SS..EExtended strand (participates in β ladder)trans-140.2147-179.8-58.9-168.9179-169.70111.7K1069 V1070 F1082 F1115K1069-K1080 WeakPolarHBondContact CA-O 3.24Å; V1070-K1080 HydrophobicContact CB-CB 4.16Å; V1070-K1080 HydrophobicContact CG2-CB 4.36Å; V1070-K1080 PolarHBondContact N-O 3.46Å; V1070-K1080 PolarHBondContact O-N 3.38Å; K1080-F1082 HydrophobicContact CB-CD2 4.31Å; K1080-F1082 HydrophobicContact CB-CE2 3.56Å; K1080-F1082 HydrophobicContact CB-CZ 3.97Å; K1080-F1082 HydrophobicContact CD-CE2 4.31Å; K1080-F1082 HydrophobicContact CD-CZ 3.95Å; K1080-F1115 WeakPolarHBondContact CD-O 3.49Å; K1080-F1115 WeakPolarHBondContact CE-O 3.22Å; K1080-F1115 PolarHBondContact NZ-O 2.98Å
1081D90.4Very high88.8Confident94 Ų9453.4 Ų53.450%0.50331%0.311SS..EExtended strand (participates in β ladder)trans-132.8118.9179.8-168.9-0.3000109.3K1069K1069-D1081 IonicContact NZ-OD1 3.73Å; K1069-D1081 PolarHBondContact NZ-OD1 2.95Å; K1069-D1081 IonicContact NZ-OD2 2.74Å; K1069-D1081 PolarHBondContact NZ-OD2 3.16Å
1082F90Very high88.9Confident6 Ų653.7 Ų53.73%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-117.4115.3-178.1-57.5-90.2000109.3T1067 V1068 V1070 K1080 C1084 F1101 W1113T1067-F1082 CarbonylContact C-O 3.58Å; T1067-F1082 VanDerWaalsContact CA-O 3.3Å; T1067-F1082 WeakPolarHBondContact CA-O 3.41Å; V1068-F1082 HydrophobicContact CB-CB 4.34Å; V1068-F1082 PolarHBondContact N-O 3.01Å; V1068-F1082 WeakPolarHBondContact O-CB 3.4Å; V1068-F1082 PolarHBondContact O-N 3.02Å; V1070-F1082 HydrophobicContact CG2-CE2 4.07Å; K1080-F1082 HydrophobicContact CB-CD2 4.31Å; K1080-F1082 HydrophobicContact CB-CE2 3.56Å; K1080-F1082 HydrophobicContact CB-CZ 3.97Å; K1080-F1082 HydrophobicContact CD-CE2 4.31Å; K1080-F1082 HydrophobicContact CD-CZ 3.95Å; F1082-C1084 VanDerWaalsContact CB-SG 3.6Å; F1082-C1084 PolarHBondContact O-N 2.77Å; F1082-F1101 HydrophobicContact CB-CZ 4.3Å; F1082-F1101 HydrophobicContact CD1-CE1 4.33Å; F1082-F1101 HydrophobicContact CD1-CZ 4.01Å; F1082-F1101 HydrophobicContact CD2-CE1 4.11Å; F1082-F1101 AromaticContact CD2-CZ 3.8Å; F1082-F1101 HydrophobicContact CD2-CZ 3.8Å; F1082-F1101 HydrophobicContact CE1-CE1 4.06Å; F1082-F1101 HydrophobicContact CE1-CZ 4.21Å; F1082-F1101 AromaticContact CE2-CE1 3.83Å; F1082-F1101 HydrophobicContact CE2-CE1 3.83Å; F1082-F1101 HydrophobicContact CE2-CZ 4.02Å; F1082-F1101 HydrophobicContact CG-CE1 4.35Å; F1082-F1101 AromaticContact CG-CZ 3.8Å; F1082-F1101 HydrophobicContact CG-CZ 3.8Å; F1082-F1101 AromaticContact CZ-CE1 3.81Å; F1082-F1101 HydrophobicContact CZ-CE1 3.81Å; F1082-F1101 HydrophobicContact CZ-CZ 4.23Å; F1082-W1113 HydrophobicContact CD1-CE3 4.04Å; F1082-W1113 HydrophobicContact CD1-CZ3 4.39Å
1083T88.2Confident88.9Confident113 Ų11352.7 Ų52.769%0.69331%0.309SS*.EExtended strand (participates in β ladder)trans-86.287.6169.652.10000108.6T1067T1067-T1083 HydrophobicContact CG2-CG2 4.15Å
1084C84.6Confident89.1Confident4 Ų453.4 Ų53.43%0.02731%0.314CS..  trans-81.4-43.5-167-61.70000113.1G1066 V1068 F1082 K1111 W1113G1066-C1084 PolarHBondContact O-N 2.8Å; G1066-C1084 VanDerWaalsContact O-N 3.15Å; V1068-C1084 HydrophobicContact CG2-CB 4.43Å; V1068-C1084 VanDerWaalsContact CG2-SG 3.58Å; F1082-C1084 VanDerWaalsContact CB-SG 3.6Å; F1082-C1084 PolarHBondContact O-N 2.77Å; C1084-K1111 WeakPolarHBondContact O-CD 3.29Å; C1084-K1111 PolarHBondContact O-NZ 3.42Å; C1084-W1113 HydrophobicContact CB-CH2 4.32Å; C1084-W1113 HydrophobicContact CB-CZ2 3.52Å; C1084-W1113 VanDerWaalsContact SG-CE2 3.56Å; C1084-W1113 VanDerWaalsContact SG-CZ2 3.52Å
1085H89.3Confident89.4Confident16 Ų1647.6 Ų47.67%0.07428%0.284CS..  trans-136.2158.3-168.8-65.2-85.2000111.4G1066 D1087 V1089 S1103 S1105 D1107 T1109G1066-H1085 PolarHBondContact O-N 3.17Å; H1085-D1087 VanDerWaalsContact C-N 3.32Å; H1085-V1089 HydrophobicContact CB-CG2 4.45Å; H1085-S1103 PolarHBondContact NE2-OG 2.9Å; H1085-S1105 WeakPolarHBondContact CB-OG 3.45Å; H1085-S1105 WeakPolarHBondContact ND1-CB 3.23Å; H1085-D1107 WeakPolarHBondContact CB-OD2 3.28Å; H1085-D1107 IonicContact CE1-OD1 3.59Å; H1085-D1107 IonicContact CE1-OD2 3.05Å; H1085-D1107 IonicContact CG-OD2 2.67Å; H1085-D1107 VanDerWaalsContact ND1-CG 3.34Å; H1085-D1107 IonicContact ND1-OD1 2.64Å; H1085-D1107 PolarHBondContact ND1-OD1 3.02Å; H1085-D1107 IonicContact ND1-OD2 3.88Å; H1085-D1107 PolarHBondContact ND1-OD2 2.99Å; H1085-T1109 PolarHBondContact CE1-OG1 2.97Å; H1085-T1109 VanDerWaalsContact CE1-OG1 3.28Å; H1085-T1109 PolarHBondContact ND1-OG1 2.89Å
1086G85.3Confident89.4Confident88 Ų8847.4 Ų47.491%0.90729%0.285SS*.SBendtrans-85-8.7174.800000113.7
1087D88.3Confident89.4Confident77 Ų7751 Ų5141%0.41230%0.3SS..SBendtrans-131.5179.4-179.9-154.9-23.5000109.2G1066 H1085 A1106 D1107G1066-D1087 VanDerWaalsContact CA-O 3.3Å; G1066-D1087 WeakPolarHBondContact CA-O 3.42Å; H1085-D1087 VanDerWaalsContact C-N 3.32Å; D1087-A1106 HydrophobicContact CB-CB 4.42Å; D1087-D1107 HydrophobicContact CB-CB 4.07Å
1088T91.4Very high89.2Confident30 Ų3045.8 Ų45.818%0.18429%0.29CS..  trans-53.7134.3-175.661.10000112.9F1064 S1105 A1106F1064-T1088 HydrophobicContact CB-CG2 3.97Å; F1064-T1088 HydrophobicContact CD1-CG2 3.69Å; F1064-T1088 HydrophobicContact CG-CG2 4.33Å; F1064-T1088 WeakPolarHBondContact O-CA 3.3Å; F1064-T1088 WeakPolarHBondContact O-CG2 3.47Å; T1088-S1105 WeakPolarHBondContact O-CA 3.41Å; T1088-S1105 WeakPolarHBondContact O-CB 3.34Å; T1088-S1105 PolarHBondContact O-OG 2.88Å; T1088-A1106 PolarHBondContact O-N 3.12Å; T1088-A1106 VanDerWaalsContact O-N 3.1Å; T1088-A1106 VanDerWaalsContact OG1-CB 3.23Å; T1088-A1106 WeakPolarHBondContact OG1-CB 3.18Å
1089V94.1Very high89Confident0 Ų045.7 Ų45.70%029%0.286CS..EExtended strand (participates in β ladder)trans-88.8115.3170.4-177.90000108.2W1062 S1063 V1068 H1085W1062-V1089 HydrophobicContact CB-CB 4.24Å; W1062-V1089 HydrophobicContact CB-CG1 3.87Å; W1062-V1089 HydrophobicContact CG-CG1 4.14Å; S1063-V1089 PolarHBondContact O-N 2.81Å; V1068-V1089 HydrophobicContact CG2-CG1 4.3Å; V1068-V1089 HydrophobicContact CG2-CG2 4.47Å; H1085-V1089 HydrophobicContact CB-CG2 4.45Å
1090L91.8Very high89.1Confident39 Ų3943.8 Ų43.820%0.20428%0.277CS..EExtended strand (participates in β ladder)trans-88.5-36-173.1-63.2179.1000112A1104 A1106 C1130 R1132L1090-A1104 PolarHBondContact N-O 2.86Å; L1090-A1106 HydrophobicContact CD1-CB 4.3Å; L1090-C1130 HydrophobicContact CD1-CB 4.45Å; L1090-R1132 HydrophobicContact CD1-CG 4.39Å
1091S92.2Very high89.3Confident24 Ų2440 Ų4017%0.16826%0.26CS..EExtended strand (participates in β ladder)trans-153.5151.8-179.6-177.80000111.5A1104 R1132S1091-A1104 PolarHBondContact N-O 2.78Å; S1091-A1104 PolarHBondContact O-N 2.9Å; S1091-R1132 WeakPolarHBondContact CB-O 3.13Å
1092C93.6Very high89.4Confident9 Ų935.5 Ų35.56%0.06124%0.236CC..EExtended strand (participates in β ladder)trans-135.6142.6171.2-72.10000110.1L1060 W1062 S1102L1060-C1092 HydrophobicContact CD2-CB 4.38Å; W1062-C1092 HydrophobicContact CD2-CB 3.79Å; W1062-C1092 HydrophobicContact CE3-CB 3.58Å; W1062-C1092 HydrophobicContact CG-CB 4.39Å; W1062-C1092 HydrophobicContact CH2-CB 4.23Å; W1062-C1092 HydrophobicContact CZ2-CB 4.39Å; W1062-C1092 HydrophobicContact CZ3-CB 3.83Å; C1092-S1102 CarbonylContact C-O 3.58Å; C1092-S1102 WeakPolarHBondContact CA-O 3.35Å; C1092-S1102 WeakPolarHBondContact CB-O 3.13Å
1093A91.8Very high89.6Confident7 Ų735.2 Ų35.26%0.05824%0.235CC..EExtended strand (participates in β ladder)trans-126.8147.9172.300000111.7F1101 S1102 C1134 F1136A1093-F1101 CarbonylContact O-C 2.93Å; A1093-F1101 VanDerWaalsContact O-CA 3.23Å; A1093-F1101 WeakPolarHBondContact O-CA 3.35Å; A1093-F1101 WeakPolarHBondContact O-CB 3.49Å; A1093-S1102 PolarHBondContact N-O 3.46Å; A1093-S1102 PolarHBondContact O-N 2.75Å; A1093-S1102 PolarHBondContact O-OG 2.91Å; A1093-C1134 WeakPolarHBondContact CB-O 3.36Å; A1093-F1136 HydrophobicContact CB-CD2 4.21Å; A1093-F1136 WeakPolarHBondContact O-CE2 3.49Å
1094V91.8Very high89.8Confident22 Ų2229.8 Ų29.813%0.13320%0.202CC..EExtended strand (participates in β ladder)trans-108.1138.5-178.5178.80000108L1054 L1060 F1101 F1115 F1136L1054-V1094 HydrophobicContact CD2-CB 4.15Å; L1054-V1094 HydrophobicContact CD2-CG1 3.68Å; L1054-V1094 HydrophobicContact CD2-CG2 3.49Å; L1054-V1094 VanDerWaalsContact CD2-CG2 3.49Å; L1060-V1094 HydrophobicContact CD2-CG2 3.64Å; V1094-F1101 HydrophobicContact CG2-CB 4.46Å; V1094-F1115 HydrophobicContact CG1-CE2 4.1Å; V1094-F1115 HydrophobicContact CG1-CZ 4.43Å; V1094-F1115 HydrophobicContact CG2-CZ 4.48Å; V1094-F1136 VanDerWaalsContact C-CD2 3.49Å
1095S90.5Very high90.2Very high4 Ų429.6 Ų29.63%0.02820%0.201CC..  trans-66.4140.9175.759.40000110.4D1097 G1098 S1099 K1100S1095-D1097 WeakPolarHBondContact CB-OD1 3.27Å; S1095-D1097 PolarHBondContact O-N 3.01Å; S1095-D1097 PolarHBondContact OG-OD1 2.96Å; S1095-G1098 PolarHBondContact O-N 3.35Å; S1095-S1099 PolarHBondContact OG-N 3.25Å; S1095-K1100 PolarHBondContact N-O 2.74Å; S1095-K1100 PolarHBondContact OG-N 3.05Å; S1095-K1100 PolarHBondContact OG-O 3.25Å; S1095-K1100 VanDerWaalsContact OG-O 3.07Å
1096P86.1Confident90.3Very high81 Ų8129.7 Ų29.753%0.52620%0.204SC..THydrogen-bonded Turntrans-50.3-25.5175.4-29.724.4000116.8G1098 S1137 N1140P1096-G1098 VanDerWaalsContact C-N 3.33Å; P1096-S1137 WeakPolarHBondContact CG-O 3.26Å; P1096-N1140 VanDerWaalsContact CB-OD1 3.28Å; P1096-N1140 WeakPolarHBondContact CB-OD1 3.25Å; P1096-N1140 WeakPolarHBondContact CD-OD1 3.46Å; P1096-N1140 WeakPolarHBondContact CG-OD1 3.3Å
1097D84.7Confident90.5Very high90 Ų9027.8 Ų27.848%0.48117%0.173SC..THydrogen-bonded Turntrans-83.3-3.8173.759.915.9000114.5S1095 S1099 N1140S1095-D1097 WeakPolarHBondContact CB-OD1 3.27Å; S1095-D1097 PolarHBondContact O-N 3.01Å; S1095-D1097 PolarHBondContact OG-OD1 2.96Å; D1097-S1099 PolarHBondContact O-N 2.96Å; D1097-S1099 WeakPolarHBondContact OD1-CB 3.27Å; D1097-S1099 PolarHBondContact OD1-N 3.44Å; D1097-S1099 PolarHBondContact OD1-OG 2.9Å; D1097-S1099 PolarHBondContact OD2-OG 3.15Å; D1097-N1140 WeakPolarHBondContact CB-ND2 3.28Å; D1097-N1140 PolarHBondContact N-ND2 3.32Å; D1097-N1140 PolarHBondContact OD2-ND2 3.37Å
1098G83.4Confident90.6Very high44 Ų4429.1 Ų29.145%0.45418%0.175SC..SBendtrans69.69.3-177.500000114.8S1095 P1096 F1115S1095-G1098 PolarHBondContact O-N 3.35Å; P1096-G1098 VanDerWaalsContact C-N 3.33Å; G1098-F1115 WeakPolarHBondContact O-CD2 3.44Å
1099S85.9Confident90.6Very high48 Ų4828.5 Ų28.534%0.33617%0.171SC..SBendtrans-87.8-30.8-174.972.80000114.2S1095 D1097 F1115S1095-S1099 PolarHBondContact OG-N 3.25Å; D1097-S1099 PolarHBondContact O-N 2.96Å; D1097-S1099 WeakPolarHBondContact OD1-CB 3.27Å; D1097-S1099 PolarHBondContact OD1-N 3.44Å; D1097-S1099 PolarHBondContact OD1-OG 2.9Å; D1097-S1099 PolarHBondContact OD2-OG 3.15Å; S1099-F1115 PolarHBondContact O-N 3.06Å
1100K89.9Confident90.6Very high43 Ų4328.5 Ų28.519%0.18717%0.172CC..EExtended strand (participates in β ladder)trans-129.6160.2-174.3-64.8177.9-176.2-179.70111.2S1095 I1112 W1113 I1121 F1136 T1157S1095-K1100 PolarHBondContact N-O 2.74Å; S1095-K1100 PolarHBondContact OG-N 3.05Å; S1095-K1100 PolarHBondContact OG-O 3.25Å; S1095-K1100 VanDerWaalsContact OG-O 3.07Å; K1100-I1112 HydrophobicContact CD-CG2 4.3Å; K1100-W1113 CarbonylContact C-O 3.57Å; K1100-W1113 WeakPolarHBondContact CA-O 3.35Å; K1100-W1113 VanDerWaalsContact CB-O 3.32Å; K1100-W1113 WeakPolarHBondContact CB-O 3.25Å; K1100-I1121 HydrophobicContact CD-CD1 3.94Å; K1100-I1121 HydrophobicContact CG-CD1 4.01Å; K1100-F1136 HydrophobicContact CB-CZ 4.49Å; K1100-T1157 PolarHBondContact NZ-O 3.45Å
1101F92.4Very high90.7Very high0 Ų028 Ų280%017%0.168CC..EExtended strand (participates in β ladder)trans-137.2158.8165.472.4-87.5000110.8L1060 V1068 F1082 A1093 V1094 W1113 F1115L1060-F1101 HydrophobicContact CD2-CB 4.49Å; V1068-F1101 HydrophobicContact CB-CE2 4.29Å; V1068-F1101 HydrophobicContact CG1-CD2 4.45Å; V1068-F1101 HydrophobicContact CG1-CE2 3.93Å; V1068-F1101 HydrophobicContact CG1-CZ 4.38Å; V1068-F1101 HydrophobicContact CG2-CE2 4.48Å; F1082-F1101 HydrophobicContact CB-CZ 4.3Å; F1082-F1101 HydrophobicContact CD1-CE1 4.33Å; F1082-F1101 HydrophobicContact CD1-CZ 4.01Å; F1082-F1101 HydrophobicContact CD2-CE1 4.11Å; F1082-F1101 AromaticContact CD2-CZ 3.8Å; F1082-F1101 HydrophobicContact CD2-CZ 3.8Å; F1082-F1101 HydrophobicContact CE1-CE1 4.06Å; F1082-F1101 HydrophobicContact CE1-CZ 4.21Å; F1082-F1101 AromaticContact CE2-CE1 3.83Å; F1082-F1101 HydrophobicContact CE2-CE1 3.83Å; F1082-F1101 HydrophobicContact CE2-CZ 4.02Å; F1082-F1101 HydrophobicContact CG-CE1 4.35Å; F1082-F1101 AromaticContact CG-CZ 3.8Å; F1082-F1101 HydrophobicContact CG-CZ 3.8Å; F1082-F1101 AromaticContact CZ-CE1 3.81Å; F1082-F1101 HydrophobicContact CZ-CE1 3.81Å; F1082-F1101 HydrophobicContact CZ-CZ 4.23Å; A1093-F1101 CarbonylContact O-C 2.93Å; A1093-F1101 VanDerWaalsContact O-CA 3.23Å; A1093-F1101 WeakPolarHBondContact O-CA 3.35Å; A1093-F1101 WeakPolarHBondContact O-CB 3.49Å; V1094-F1101 HydrophobicContact CG2-CB 4.46Å; F1101-W1113 HydrophobicContact CD1-CB 3.75Å; F1101-W1113 HydrophobicContact CD2-CB 4.13Å; F1101-W1113 AromaticContact CD2-CD1 3.93Å; F1101-W1113 HydrophobicContact CD2-CG 4.26Å; F1101-W1113 HydrophobicContact CE1-CB 3.31Å; F1101-W1113 HydrophobicContact CE1-CG 4.01Å; F1101-W1113 HydrophobicContact CE2-CB 3.73Å; F1101-W1113 AromaticContact CE2-CD1 3.4Å; F1101-W1113 VanDerWaalsContact CE2-CD1 3.4Å; F1101-W1113 HydrophobicContact CE2-CD2 4.39Å; F1101-W1113 AromaticContact CE2-CG 3.58Å; F1101-W1113 HydrophobicContact CE2-CG 3.58Å; F1101-W1113 HydrophobicContact CG-CB 4.13Å; F1101-W1113 HydrophobicContact CZ-CB 3.3Å; F1101-W1113 AromaticContact CZ-CD1 3.79Å; F1101-W1113 HydrophobicContact CZ-CD2 4.09Å; F1101-W1113 AromaticContact CZ-CG 3.44Å; F1101-W1113 HydrophobicContact CZ-CG 3.44Å; F1101-W1113 VanDerWaalsContact CZ-CG 3.44Å; F1101-W1113 PolarHBondContact N-O 3.15Å; F1101-W1113 PolarHBondContact O-N 2.97Å; F1101-F1115 HydrophobicContact CB-CE2 4.08Å; F1101-F1115 HydrophobicContact CB-CZ 3.81Å; F1101-F1115 AromaticContact CD1-CD1 3.94Å; F1101-F1115 HydrophobicContact CD1-CD1 3.94Å; F1101-F1115 HydrophobicContact CD1-CD2 4.43Å; F1101-F1115 AromaticContact CD1-CE1 3.57Å; F1101-F1115 HydrophobicContact CD1-CE1 3.57Å; F1101-F1115 HydrophobicContact CD1-CE2 4.11Å; F1101-F1115 HydrophobicContact CD1-CG 4.36Å; F1101-F1115 AromaticContact CD1-CZ 3.67Å; F1101-F1115 HydrophobicContact CD1-CZ 3.67Å; F1101-F1115 HydrophobicContact CE1-CD1 4.27Å; F1101-F1115 HydrophobicContact CE1-CE1 4.13Å; F1101-F1115 HydrophobicContact CG-CE1 4.32Å; F1101-F1115 HydrophobicContact CG-CZ 4.08Å
1102S92.8Very high90.7Very high0 Ų026.8 Ų26.80%016%0.16CC..EExtended strand (participates in β ladder)trans-118.8147.5174.556.20000109.7C1092 A1093 K1111 C1134 F1136 L1143C1092-S1102 CarbonylContact C-O 3.58Å; C1092-S1102 WeakPolarHBondContact CA-O 3.35Å; C1092-S1102 WeakPolarHBondContact CB-O 3.13Å; A1093-S1102 PolarHBondContact N-O 3.46Å; A1093-S1102 PolarHBondContact O-N 2.75Å; A1093-S1102 PolarHBondContact O-OG 2.91Å; S1102-K1111 CarbonylContact C-O 3.58Å; S1102-K1111 WeakPolarHBondContact CA-O 3.49Å; S1102-C1134 PolarHBondContact OG-SG 3Å; S1102-F1136 WeakPolarHBondContact OG-CE2 3.46Å; S1102-L1143 WeakPolarHBondContact OG-CD1 3.36Å
1103S93.3Very high90.7Very high0 Ų027 Ų270%016%0.159CC..EExtended strand (participates in β ladder)trans-123.9135.8174.458.40000110H1085 A1110 K1111 W1113H1085-S1103 PolarHBondContact NE2-OG 2.9Å; S1103-A1110 CarbonylContact O-C 3.52Å; S1103-A1110 WeakPolarHBondContact O-CA 3.35Å; S1103-K1111 PolarHBondContact N-O 3.34Å; S1103-K1111 PolarHBondContact O-N 3.3Å; S1103-W1113 PolarHBondContact OG-NE1 3.37Å
1104A93Very high90.5Very high0 Ų027.5 Ų27.50%016%0.162CC..EExtended strand (participates in β ladder)trans-116.5135.7175.100000109.9L1090 S1091 V1131 C1134L1090-A1104 PolarHBondContact N-O 2.86Å; S1091-A1104 PolarHBondContact N-O 2.78Å; S1091-A1104 PolarHBondContact O-N 2.9Å; A1104-V1131 HydrophobicContact CB-CB 4.11Å; A1104-V1131 HydrophobicContact CB-CG1 3.72Å; A1104-C1134 HydrophobicContact CB-CB 4.19Å
1105S93.4Very high90.2Very high0 Ų027.7 Ų27.70%016%0.161CC..EExtended strand (participates in β ladder)trans-135.3157.9-170.6-179.50000114H1085 T1088 D1107 K1108 T1109 V1131H1085-S1105 WeakPolarHBondContact CB-OG 3.45Å; H1085-S1105 WeakPolarHBondContact ND1-CB 3.23Å; T1088-S1105 WeakPolarHBondContact O-CA 3.41Å; T1088-S1105 WeakPolarHBondContact O-CB 3.34Å; T1088-S1105 PolarHBondContact O-OG 2.88Å; S1105-D1107 WeakPolarHBondContact CB-OD1 3.47Å; S1105-D1107 PolarHBondContact O-N 3.03Å; S1105-D1107 PolarHBondContact OG-N 3.3Å; S1105-K1108 PolarHBondContact O-N 2.95Å; S1105-T1109 PolarHBondContact N-O 2.98Å; S1105-V1131 PolarHBondContact N-O 3.04Å; S1105-V1131 PolarHBondContact O-N 3.34Å; S1105-V1131 VanDerWaalsContact O-N 3.08Å
1106A90.2Very high89.8Confident18 Ų1835.9 Ų35.915%0.14920%0.199CC..THydrogen-bonded Turntrans-63.1-16167.700000113.5D1087 T1088 L1090 K1108 C1130D1087-A1106 HydrophobicContact CB-CB 4.42Å; T1088-A1106 PolarHBondContact O-N 3.12Å; T1088-A1106 VanDerWaalsContact O-N 3.1Å; T1088-A1106 VanDerWaalsContact OG1-CB 3.23Å; T1088-A1106 WeakPolarHBondContact OG1-CB 3.18Å; L1090-A1106 HydrophobicContact CD1-CB 4.3Å; A1106-K1108 PolarHBondContact O-N 3.46Å; A1106-C1130 PolarHBondContact O-SG 2.82Å
1107D89.8Confident89.3Confident48 Ų4834.2 Ų34.226%0.25719%0.19SC..THydrogen-bonded Turntrans-70.66.1173.576.64.9000114.3H1085 D1087 S1105 T1109H1085-D1107 WeakPolarHBondContact CB-OD2 3.28Å; H1085-D1107 IonicContact CE1-OD1 3.59Å; H1085-D1107 IonicContact CE1-OD2 3.05Å; H1085-D1107 IonicContact CG-OD2 2.67Å; H1085-D1107 VanDerWaalsContact ND1-CG 3.34Å; H1085-D1107 IonicContact ND1-OD1 2.64Å; H1085-D1107 PolarHBondContact ND1-OD1 3.02Å; H1085-D1107 IonicContact ND1-OD2 3.88Å; H1085-D1107 PolarHBondContact ND1-OD2 2.99Å; D1087-D1107 HydrophobicContact CB-CB 4.07Å; S1105-D1107 WeakPolarHBondContact CB-OD1 3.47Å; S1105-D1107 PolarHBondContact O-N 3.03Å; S1105-D1107 PolarHBondContact OG-N 3.3Å; D1107-T1109 VanDerWaalsContact C-N 3.27Å; D1107-T1109 PolarHBondContact O-N 3.34Å; D1107-T1109 WeakPolarHBondContact OD1-CB 3.3Å; D1107-T1109 PolarHBondContact OD1-N 2.86Å; D1107-T1109 PolarHBondContact OD1-OG1 2.51Å; D1107-T1109 PolarHBondContact OD2-OG1 2.82Å
1108K90.2Very high88.7Confident104 Ų10435 Ų3545%0.45220%0.202SC..SBendtrans73.79.7178.9-45.3176.9176-160.30114.8S1105 A1106 E1128 A1129S1105-K1108 PolarHBondContact O-N 2.95Å; A1106-K1108 PolarHBondContact O-N 3.46Å; K1108-E1128 WeakPolarHBondContact CD-O 3.49Å; K1108-E1128 WeakPolarHBondContact CE-O 3.35Å; K1108-E1128 PolarHBondContact NZ-O 2.99Å; K1108-A1129 WeakPolarHBondContact CA-O 3.48Å; K1108-A1129 WeakPolarHBondContact CB-O 3.45Å
1109T91.7Very high88.5Confident17 Ų1736.1 Ų36.110%0.10420%0.203CC..  trans-115.7156179.573.10000112H1085 S1105 D1107 N1125H1085-T1109 PolarHBondContact CE1-OG1 2.97Å; H1085-T1109 VanDerWaalsContact CE1-OG1 3.28Å; H1085-T1109 PolarHBondContact ND1-OG1 2.89Å; S1105-T1109 PolarHBondContact N-O 2.98Å; D1107-T1109 VanDerWaalsContact C-N 3.27Å; D1107-T1109 PolarHBondContact O-N 3.34Å; D1107-T1109 WeakPolarHBondContact OD1-CB 3.3Å; D1107-T1109 PolarHBondContact OD1-N 2.86Å; D1107-T1109 PolarHBondContact OD1-OG1 2.51Å; D1107-T1109 PolarHBondContact OD2-OG1 2.82Å; T1109-N1125 WeakPolarHBondContact CG2-OD1 3.32Å
1110A93.5Very high88.6Confident1 Ų136.5 Ų36.51%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-118.4142.5163.400000109.5S1103 L1124 V1131 T1145S1103-A1110 CarbonylContact O-C 3.52Å; S1103-A1110 WeakPolarHBondContact O-CA 3.35Å; A1110-L1124 HydrophobicContact CB-CB 4.31Å; A1110-L1124 HydrophobicContact CB-CD1 4.25Å; A1110-L1124 PolarHBondContact N-O 2.69Å; A1110-L1124 WeakPolarHBondContact O-CA 3.49Å; A1110-L1124 VanDerWaalsContact O-CB 3.25Å; A1110-L1124 WeakPolarHBondContact O-CB 3.46Å; A1110-L1124 PolarHBondContact O-N 2.99Å; A1110-V1131 HydrophobicContact CB-CG1 4.46Å; A1110-T1145 HydrophobicContact CB-CG2 3.81Å
1111K94.1Very high88.5Confident27 Ų2737.3 Ų37.312%0.11721%0.209CC..EExtended strand (participates in β ladder)trans-127.1141.4-178.7-66.7177.9-172-178.50110.9C1084 S1102 S1103 W1113 V1120 H1122 E1123C1084-K1111 WeakPolarHBondContact O-CD 3.29Å; C1084-K1111 PolarHBondContact O-NZ 3.42Å; S1102-K1111 CarbonylContact C-O 3.58Å; S1102-K1111 WeakPolarHBondContact CA-O 3.49Å; S1103-K1111 PolarHBondContact N-O 3.34Å; S1103-K1111 PolarHBondContact O-N 3.3Å; K1111-W1113 HydrophobicContact CB-CZ2 4.26Å; K1111-W1113 HydrophobicContact CD-CZ2 3.98Å; K1111-V1120 HydrophobicContact CB-CG1 4.37Å; K1111-V1120 HydrophobicContact CD-CG2 4.35Å; K1111-H1122 WeakPolarHBondContact CA-O 3.17Å; K1111-E1123 WeakPolarHBondContact CE-OE1 3.39Å; K1111-E1123 HydrophobicContact CG-CB 4.46Å; K1111-E1123 HydrophobicContact CG-CG 4.19Å; K1111-E1123 IonicContact NZ-OE1 2.75Å; K1111-E1123 PolarHBondContact NZ-OE1 3.48Å
1112I93.5Very high88.5Confident0 Ų039.4 Ų39.40%022%0.218CC..EExtended strand (participates in β ladder)trans-105.7132.8174.2-57.6178.1000109K1100 I1121 H1122 L1124 F1136 L1143K1100-I1112 HydrophobicContact CD-CG2 4.3Å; I1112-I1121 HydrophobicContact CG2-CB 4.49Å; I1112-I1121 HydrophobicContact CG2-CD1 4.21Å; I1112-I1121 WeakPolarHBondContact O-CB 3.44Å; I1112-I1121 PolarHBondContact O-N 2.94Å; I1112-H1122 HydrophobicContact CB-CB 4.47Å; I1112-H1122 PolarHBondContact N-O 3.29Å; I1112-H1122 PolarHBondContact O-N 2.86Å; I1112-L1124 HydrophobicContact CD1-CD1 4.12Å; I1112-L1124 HydrophobicContact CG1-CD1 4.13Å; I1112-F1136 HydrophobicContact CG2-CZ 4.4Å; I1112-L1143 HydrophobicContact CD1-CD2 4.07Å; I1112-L1143 HydrophobicContact CG1-CD2 4.05Å
1113W91.9Very high88.4Confident12 Ų1244.3 Ų44.35%0.04524%0.241CC..EExtended strand (participates in β ladder)trans-126.1151.7-175.3-57.185.5000110.5F1082 C1084 K1100 F1101 S1103 K1111 V1120F1082-W1113 HydrophobicContact CD1-CE3 4.04Å; F1082-W1113 HydrophobicContact CD1-CZ3 4.39Å; C1084-W1113 HydrophobicContact CB-CH2 4.32Å; C1084-W1113 HydrophobicContact CB-CZ2 3.52Å; C1084-W1113 VanDerWaalsContact SG-CE2 3.56Å; C1084-W1113 VanDerWaalsContact SG-CZ2 3.52Å; K1100-W1113 CarbonylContact C-O 3.57Å; K1100-W1113 WeakPolarHBondContact CA-O 3.35Å; K1100-W1113 VanDerWaalsContact CB-O 3.32Å; K1100-W1113 WeakPolarHBondContact CB-O 3.25Å; F1101-W1113 HydrophobicContact CD1-CB 3.75Å; F1101-W1113 HydrophobicContact CD2-CB 4.13Å; F1101-W1113 AromaticContact CD2-CD1 3.93Å; F1101-W1113 HydrophobicContact CD2-CG 4.26Å; F1101-W1113 HydrophobicContact CE1-CB 3.31Å; F1101-W1113 HydrophobicContact CE1-CG 4.01Å; F1101-W1113 HydrophobicContact CE2-CB 3.73Å; F1101-W1113 AromaticContact CE2-CD1 3.4Å; F1101-W1113 VanDerWaalsContact CE2-CD1 3.4Å; F1101-W1113 HydrophobicContact CE2-CD2 4.39Å; F1101-W1113 AromaticContact CE2-CG 3.58Å; F1101-W1113 HydrophobicContact CE2-CG 3.58Å; F1101-W1113 HydrophobicContact CG-CB 4.13Å; F1101-W1113 HydrophobicContact CZ-CB 3.3Å; F1101-W1113 AromaticContact CZ-CD1 3.79Å; F1101-W1113 HydrophobicContact CZ-CD2 4.09Å; F1101-W1113 AromaticContact CZ-CG 3.44Å; F1101-W1113 HydrophobicContact CZ-CG 3.44Å; F1101-W1113 VanDerWaalsContact CZ-CG 3.44Å; F1101-W1113 PolarHBondContact N-O 3.15Å; F1101-W1113 PolarHBondContact O-N 2.97Å; S1103-W1113 PolarHBondContact OG-NE1 3.37Å; K1111-W1113 HydrophobicContact CB-CZ2 4.26Å; K1111-W1113 HydrophobicContact CD-CZ2 3.98Å; W1113-V1120 HydrophobicContact CD2-CG2 4.2Å; W1113-V1120 HydrophobicContact CE3-CB 4.44Å; W1113-V1120 HydrophobicContact CE3-CG2 3.9Å; W1113-V1120 HydrophobicContact CH2-CB 4.4Å; W1113-V1120 HydrophobicContact CH2-CG2 3.13Å; W1113-V1120 HydrophobicContact CZ2-CG2 3.42Å; W1113-V1120 VanDerWaalsContact CZ2-CG2 3.42Å; W1113-V1120 HydrophobicContact CZ3-CB 4.3Å; W1113-V1120 HydrophobicContact CZ3-CG2 3.39Å
1114S88.6Confident88.4Confident18 Ų1844.3 Ų44.313%0.12624%0.242CC..EExtended strand (participates in β ladder)trans-95.3145166.8176.40000108.8E1116S1114-E1116 PolarHBondContact O-N 2.82Å; S1114-E1116 PolarHBondContact OG-N 3.06Å
1115F84.9Confident88Confident26 Ų2648.9 Ų48.911%0.11427%0.266CS..SBendtrans-68.7-25.9166.9-75.2-69.9000111.9L1054 L1060 V1070 K1080 V1094 G1098 S1099 F1101L1054-F1115 HydrophobicContact CD1-CE1 4.18Å; L1054-F1115 HydrophobicContact CD1-CZ 4.12Å; L1054-F1115 HydrophobicContact CD2-CZ 4.1Å; L1060-F1115 HydrophobicContact CD1-CE1 4.13Å; L1060-F1115 HydrophobicContact CD1-CZ 4.5Å; V1070-F1115 HydrophobicContact CG2-CD1 4.07Å; V1070-F1115 HydrophobicContact CG2-CE1 3.75Å; K1080-F1115 WeakPolarHBondContact CD-O 3.49Å; K1080-F1115 WeakPolarHBondContact CE-O 3.22Å; K1080-F1115 PolarHBondContact NZ-O 2.98Å; V1094-F1115 HydrophobicContact CG1-CE2 4.1Å; V1094-F1115 HydrophobicContact CG1-CZ 4.43Å; V1094-F1115 HydrophobicContact CG2-CZ 4.48Å; G1098-F1115 WeakPolarHBondContact O-CD2 3.44Å; S1099-F1115 PolarHBondContact O-N 3.06Å; F1101-F1115 HydrophobicContact CB-CE2 4.08Å; F1101-F1115 HydrophobicContact CB-CZ 3.81Å; F1101-F1115 AromaticContact CD1-CD1 3.94Å; F1101-F1115 HydrophobicContact CD1-CD1 3.94Å; F1101-F1115 HydrophobicContact CD1-CD2 4.43Å; F1101-F1115 AromaticContact CD1-CE1 3.57Å; F1101-F1115 HydrophobicContact CD1-CE1 3.57Å; F1101-F1115 HydrophobicContact CD1-CE2 4.11Å; F1101-F1115 HydrophobicContact CD1-CG 4.36Å; F1101-F1115 AromaticContact CD1-CZ 3.67Å; F1101-F1115 HydrophobicContact CD1-CZ 3.67Å; F1101-F1115 HydrophobicContact CE1-CD1 4.27Å; F1101-F1115 HydrophobicContact CE1-CE1 4.13Å; F1101-F1115 HydrophobicContact CG-CE1 4.32Å; F1101-F1115 HydrophobicContact CG-CZ 4.08Å
1116E81.6Confident87.4Confident176 Ų17650.7 Ų50.782%0.82228%0.284SS*.SBendtrans-74-44.4-175.7-63.6-175.9167.600112.4S1114S1114-E1116 PolarHBondContact O-N 2.82Å; S1114-E1116 PolarHBondContact OG-N 3.06Å
1117S76.1Confident87.3Confident47 Ų4750.3 Ų50.333%0.32928%0.279SS..  trans-103.9144.3-179.163.60000112.4S1119S1117-S1119 PolarHBondContact O-N 2.79Å; S1117-S1119 PolarHBondContact OG-OG 2.84Å
1118S73.4Confident87Confident105 Ų10553.8 Ų53.873%0.73429%0.294SS*.SBendtrans-77.22.6171.856.70000114.4
1119S78.1Confident86.8Confident69 Ų6949.5 Ų49.548%0.48328%0.278SS..SBendtrans-94.3147.2179.153.10000112.7S1117S1117-S1119 PolarHBondContact O-N 2.79Å; S1117-S1119 PolarHBondContact OG-OG 2.84Å
1120V87.6Confident86.7Confident56 Ų5650.5 Ų50.534%0.33929%0.285SS..EExtended strand (participates in β ladder)trans-60.3134.8168.2-177.80000109.4K1111 W1113 H1122K1111-V1120 HydrophobicContact CB-CG1 4.37Å; K1111-V1120 HydrophobicContact CD-CG2 4.35Å; W1113-V1120 HydrophobicContact CD2-CG2 4.2Å; W1113-V1120 HydrophobicContact CE3-CB 4.44Å; W1113-V1120 HydrophobicContact CE3-CG2 3.9Å; W1113-V1120 HydrophobicContact CH2-CB 4.4Å; W1113-V1120 HydrophobicContact CH2-CG2 3.13Å; W1113-V1120 HydrophobicContact CZ2-CG2 3.42Å; W1113-V1120 VanDerWaalsContact CZ2-CG2 3.42Å; W1113-V1120 HydrophobicContact CZ3-CB 4.3Å; W1113-V1120 HydrophobicContact CZ3-CG2 3.39Å; V1120-H1122 VanDerWaalsContact CG1-O 3.29Å; V1120-H1122 WeakPolarHBondContact CG1-O 3.32Å
1121I89.4Confident86.7Confident60 Ų6050.4 Ų50.431%0.30829%0.285SS..EExtended strand (participates in β ladder)trans-81.7-54.4170.4-48.7-178.6000109.3K1100 I1112K1100-I1121 HydrophobicContact CD-CD1 3.94Å; K1100-I1121 HydrophobicContact CG-CD1 4.01Å; I1112-I1121 HydrophobicContact CG2-CB 4.49Å; I1112-I1121 HydrophobicContact CG2-CD1 4.21Å; I1112-I1121 WeakPolarHBondContact O-CB 3.44Å; I1112-I1121 PolarHBondContact O-N 2.94Å
1122H90.6Very high86.5Confident43 Ų4352.5 Ų52.520%0.19929%0.292CS..EExtended strand (participates in β ladder)trans-139141-179.6-58.5-67.8000111K1111 I1112 V1120 L1124 L1158 T1159K1111-H1122 WeakPolarHBondContact CA-O 3.17Å; I1112-H1122 HydrophobicContact CB-CB 4.47Å; I1112-H1122 PolarHBondContact N-O 3.29Å; I1112-H1122 PolarHBondContact O-N 2.86Å; V1120-H1122 VanDerWaalsContact CG1-O 3.29Å; V1120-H1122 WeakPolarHBondContact CG1-O 3.32Å; H1122-L1124 HydrophobicContact CB-CD2 4.24Å; H1122-L1158 PolarHBondContact CE1-O 2.81Å; H1122-L1158 PolarHBondContact NE2-O 3.36Å; H1122-L1158 VanDerWaalsContact NE2-O 3.15Å; H1122-T1159 PolarHBondContact CE1-O 2.88Å; H1122-T1159 PolarHBondContact ND1-O 3.08Å
1123E91.9Very high86.4Confident103 Ų10352.7 Ų52.748%0.48129%0.293SS..EExtended strand (participates in β ladder)trans-108.1115.8170.1-176.4169.2-140.100108.3K1111 N1125K1111-E1123 WeakPolarHBondContact CE-OE1 3.39Å; K1111-E1123 HydrophobicContact CG-CB 4.46Å; K1111-E1123 HydrophobicContact CG-CG 4.19Å; K1111-E1123 IonicContact NZ-OE1 2.75Å; K1111-E1123 PolarHBondContact NZ-OE1 3.48Å; E1123-N1125 PolarHBondContact O-N 3.22Å
1124L92Very high86.5Confident1 Ų152.5 Ų52.51%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-95.797.5-173.1-51.6175.8000108.6A1110 I1112 H1122 L1143 W1155 G1160A1110-L1124 HydrophobicContact CB-CB 4.31Å; A1110-L1124 HydrophobicContact CB-CD1 4.25Å; A1110-L1124 PolarHBondContact N-O 2.69Å; A1110-L1124 WeakPolarHBondContact O-CA 3.49Å; A1110-L1124 VanDerWaalsContact O-CB 3.25Å; A1110-L1124 WeakPolarHBondContact O-CB 3.46Å; A1110-L1124 PolarHBondContact O-N 2.99Å; I1112-L1124 HydrophobicContact CD1-CD1 4.12Å; I1112-L1124 HydrophobicContact CG1-CD1 4.13Å; H1122-L1124 HydrophobicContact CB-CD2 4.24Å; L1124-L1143 HydrophobicContact CD1-CD2 3.42Å; L1124-L1143 VanDerWaalsContact CD1-CD2 3.42Å; L1124-W1155 HydrophobicContact CB-CD2 4.14Å; L1124-W1155 HydrophobicContact CB-CE3 4.23Å; L1124-W1155 HydrophobicContact CB-CH2 4.23Å; L1124-W1155 HydrophobicContact CB-CZ2 4.14Å; L1124-W1155 HydrophobicContact CB-CZ3 4.26Å; L1124-W1155 HydrophobicContact CD1-CB 4.19Å; L1124-W1155 HydrophobicContact CD1-CD2 4.05Å; L1124-W1155 HydrophobicContact CD1-CG 3.82Å; L1124-W1155 HydrophobicContact CD2-CB 4.43Å; L1124-W1155 HydrophobicContact CD2-CD2 4.05Å; L1124-W1155 HydrophobicContact CD2-CE3 3.8Å; L1124-W1155 HydrophobicContact CD2-CG 4.33Å; L1124-W1155 HydrophobicContact CD2-CZ3 4.37Å; L1124-W1155 HydrophobicContact CG-CD2 4.31Å; L1124-W1155 HydrophobicContact CG-CE3 4.43Å; L1124-G1160 WeakPolarHBondContact CD2-O 3.5Å
1125N85.9Confident86.8Confident96 Ų9653 Ų5351%0.51330%0.296SS..  trans-98.1135.3-177.8-69.2-39.2000111.1T1109 E1123T1109-N1125 WeakPolarHBondContact CG2-OD1 3.32Å; E1123-N1125 PolarHBondContact O-N 3.22Å
1126G80.7Confident87.2Confident37 Ų3752.3 Ų52.338%0.38129%0.293SS..  trans149.4-8157.800000116.2R1153G1126-R1153 PolarHBondContact O-NH1 2.96Å; G1126-R1153 PolarHBondContact O-NH2 3.18Å
1127H87.1Confident87.8Confident10 Ų1043.9 Ų43.95%0.04625%0.254CS..  trans-60.9136.8168.1-78-78.8000109.9A1129 V1131 T1145 D1147H1127-A1129 VanDerWaalsContact C-N 3.33Å; H1127-V1131 HydrophobicContact CB-CG2 3.95Å; H1127-T1145 PolarHBondContact NE2-OG1 3.38Å; H1127-D1147 IonicContact CE1-OD2 2.74Å; H1127-D1147 IonicContact CG-OD2 3.52Å; H1127-D1147 IonicContact ND1-OD2 3.82Å; H1127-D1147 PolarHBondContact ND1-OD2 3.21Å
1128E83.9Confident88.3Confident122 Ų12244.6 Ų44.657%0.5726%0.259SS*.SBendtrans-80.8-20.1178-64.8-169.6163.800112.8K1108 K1149K1108-E1128 WeakPolarHBondContact CD-O 3.49Å; K1108-E1128 WeakPolarHBondContact CE-O 3.35Å; K1108-E1128 PolarHBondContact NZ-O 2.99Å; E1128-K1149 IonicContact OE2-NZ 3.87Å; E1128-K1149 PolarHBondContact OE2-NZ 3.11Å
1129A86.1Confident89Confident14 Ų1443 Ų4312%0.11624%0.242CC..SBendtrans-124.3178.2-175.900000111.8K1108 H1127 D1148 K1149K1108-A1129 WeakPolarHBondContact CA-O 3.48Å; K1108-A1129 WeakPolarHBondContact CB-O 3.45Å; H1127-A1129 VanDerWaalsContact C-N 3.33Å; A1129-D1148 HydrophobicContact CB-CB 4.02Å; A1129-K1149 HydrophobicContact CB-CD 4.29Å; A1129-K1149 HydrophobicContact CB-CG 3.9Å
1130C90.1Very high89.4Confident37 Ų3741.5 Ų41.525%0.2523%0.228CC..  trans-62.3135.4-178.3-57.90000111.3L1090 A1106 D1147 D1148L1090-C1130 HydrophobicContact CD1-CB 4.45Å; A1106-C1130 PolarHBondContact O-SG 2.82Å; C1130-D1147 CarbonylContact O-C 3.52Å; C1130-D1147 WeakPolarHBondContact O-CA 3.32Å; C1130-D1147 VanDerWaalsContact O-CB 3.24Å; C1130-D1147 WeakPolarHBondContact O-CB 3.42Å; C1130-D1148 PolarHBondContact O-N 2.86Å
1131V93Very high89.5Confident0 Ų044.7 Ų44.70%024%0.238CC..EExtended strand (participates in β ladder)trans-88.8113.2177.6-1700000108.7A1104 S1105 A1110 H1127 T1145 G1146A1104-V1131 HydrophobicContact CB-CB 4.11Å; A1104-V1131 HydrophobicContact CB-CG1 3.72Å; S1105-V1131 PolarHBondContact N-O 3.04Å; S1105-V1131 PolarHBondContact O-N 3.34Å; S1105-V1131 VanDerWaalsContact O-N 3.08Å; A1110-V1131 HydrophobicContact CB-CG1 4.46Å; H1127-V1131 HydrophobicContact CB-CG2 3.95Å; V1131-T1145 HydrophobicContact CG1-CG2 4.48Å; V1131-G1146 CarbonylContact C-O 3.58Å; V1131-G1146 WeakPolarHBondContact CG1-O 3.5Å
1132R90Very high89.6Confident71 Ų7143 Ų4327%0.26823%0.229SC..EExtended strand (participates in β ladder)trans-87.4-38.8-173.9-70.9-164.2172.1-92.9-14.4113.8L1090 S1091 G1146 D1148 V1182L1090-R1132 HydrophobicContact CD1-CG 4.39Å; S1091-R1132 WeakPolarHBondContact CB-O 3.13Å; R1132-G1146 PolarHBondContact N-O 3.03Å; R1132-D1148 VanDerWaalsContact CD-OD1 3.28Å; R1132-D1148 WeakPolarHBondContact CD-OD1 3.32Å; R1132-D1148 WeakPolarHBondContact CG-OD1 3.26Å; R1132-D1148 IonicContact CZ-OD1 3.65Å; R1132-D1148 VanDerWaalsContact CZ-OD1 3.31Å; R1132-D1148 IonicContact CZ-OD2 2.85Å; R1132-D1148 VanDerWaalsContact NE-CG 3.28Å; R1132-D1148 IonicContact NE-OD1 2.79Å; R1132-D1148 PolarHBondContact NE-OD1 2.92Å; R1132-D1148 IonicContact NE-OD2 2.66Å; R1132-D1148 IonicContact NH2-OD1 3.48Å; R1132-D1148 PolarHBondContact NH2-OD1 2.74Å; R1132-D1148 IonicContact NH2-OD2 2.87Å; R1132-D1148 PolarHBondContact NH2-OD2 3.35Å; R1132-V1182 VanDerWaalsContact CB-O 3.31Å; R1132-V1182 WeakPolarHBondContact CB-O 3.37Å
1133C92Very high89.8Confident4 Ų441 Ų413%0.02722%0.219CC..EExtended strand (participates in β ladder)trans-140.1148.8-171.459.20000111.3T1145 G1146 T1183C1133-T1145 WeakPolarHBondContact O-CA 3.47Å; C1133-G1146 PolarHBondContact N-O 3.34Å; C1133-G1146 PolarHBondContact O-N 2.91Å; C1133-T1183 WeakPolarHBondContact CB-O 3.29Å
1134C94.4Very high89.9Confident8 Ų836 Ų365%0.05420%0.197CC..EExtended strand (participates in β ladder)trans-142.1146.5173.757.90000110.2A1093 S1102 A1104 L1143 A1144 T1145A1093-C1134 WeakPolarHBondContact CB-O 3.36Å; S1102-C1134 PolarHBondContact OG-SG 3Å; A1104-C1134 HydrophobicContact CB-CB 4.19Å; C1134-L1143 HydrophobicContact CB-CD1 4.49Å; C1134-A1144 CarbonylContact C-O 3.56Å; C1134-A1144 VanDerWaalsContact CA-O 3.23Å; C1134-A1144 WeakPolarHBondContact CA-O 3.44Å; C1134-T1145 HydrophobicContact CB-CG2 4.16Å
1135T94.2Very high90Very high28 Ų2836 Ų3617%0.17220%0.196CC..EExtended strand (participates in β ladder)trans-149.6144.4176.7-165.30000111.7L1143 A1144 L1185 F1187 L1194T1135-L1143 WeakPolarHBondContact O-CA 3.39Å; T1135-L1143 WeakPolarHBondContact O-CD1 3.35Å; T1135-A1144 HydrophobicContact CG2-CB 4.1Å; T1135-A1144 PolarHBondContact N-O 3.45Å; T1135-A1144 PolarHBondContact O-N 2.94Å; T1135-L1185 WeakPolarHBondContact CB-O 3.44Å; T1135-L1185 HydrophobicContact CG2-CB 3.54Å; T1135-L1185 WeakPolarHBondContact CG2-O 3.5Å; T1135-F1187 HydrophobicContact CG2-CD2 3.72Å; T1135-F1187 HydrophobicContact CG2-CE2 3.8Å; T1135-L1194 HydrophobicContact CG2-CD1 4.36Å
1136F93.9Very high90.3Very high11 Ų1131.4 Ų31.45%0.04817%0.172CC..EExtended strand (participates in β ladder)trans-90.6145.6176.2-78-76.8000111.1A1093 V1094 K1100 S1102 I1112 L1143 T1157 F1187A1093-F1136 HydrophobicContact CB-CD2 4.21Å; A1093-F1136 WeakPolarHBondContact O-CE2 3.49Å; V1094-F1136 VanDerWaalsContact C-CD2 3.49Å; K1100-F1136 HydrophobicContact CB-CZ 4.49Å; S1102-F1136 WeakPolarHBondContact OG-CE2 3.46Å; I1112-F1136 HydrophobicContact CG2-CZ 4.4Å; F1136-L1143 HydrophobicContact CD1-CB 4.43Å; F1136-L1143 HydrophobicContact CD1-CD1 3.77Å; F1136-L1143 HydrophobicContact CD2-CD1 4.08Å; F1136-L1143 HydrophobicContact CE1-CB 4.44Å; F1136-L1143 HydrophobicContact CE1-CD1 3.77Å; F1136-L1143 HydrophobicContact CE2-CD1 4.09Å; F1136-L1143 HydrophobicContact CG-CD1 3.94Å; F1136-L1143 HydrophobicContact CZ-CD1 3.94Å; F1136-T1157 HydrophobicContact CD1-CG2 3.83Å; F1136-T1157 HydrophobicContact CE1-CG2 3.67Å; F1136-F1187 WeakPolarHBondContact O-CD2 3.43Å
1137S93Very high90.7Very high0 Ų029.7 Ų29.70%015%0.154CC..  trans-68.6152169.261.60000111.8P1096 N1139 N1140 K1141 L1142 F1187P1096-S1137 WeakPolarHBondContact CG-O 3.26Å; S1137-N1139 WeakPolarHBondContact CB-OD1 3.5Å; S1137-N1139 PolarHBondContact O-N 3.43Å; S1137-N1139 VanDerWaalsContact O-N 3.1Å; S1137-N1139 PolarHBondContact OG-OD1 3.34Å; S1137-N1140 PolarHBondContact O-N 3.21Å; S1137-K1141 PolarHBondContact OG-N 3.42Å; S1137-L1142 PolarHBondContact N-O 2.86Å; S1137-L1142 PolarHBondContact OG-N 2.98Å; S1137-L1142 PolarHBondContact OG-O 3.16Å; S1137-F1187 VanDerWaalsContact CA-CD2 3.49Å
1138S87.6Confident90.6Very high62 Ų6230.9 Ų30.943%0.43416%0.161SC..THydrogen-bonded Turntrans-60-23.6179.1-52.10000113.5S1188 S1191S1138-S1188 PolarHBondContact OG-O 3.18Å; S1138-S1191 PolarHBondContact N-OG 3.12Å
1139N87.4Confident90.4Very high72 Ų7230.1 Ų30.139%0.38516%0.155SC..THydrogen-bonded Turntrans-89.74.2175.669.611.1000114.6S1137 K1141 S1191S1137-N1139 WeakPolarHBondContact CB-OD1 3.5Å; S1137-N1139 PolarHBondContact O-N 3.43Å; S1137-N1139 VanDerWaalsContact O-N 3.1Å; S1137-N1139 PolarHBondContact OG-OD1 3.34Å; N1139-K1141 PolarHBondContact O-N 2.93Å; N1139-K1141 VanDerWaalsContact O-N 3.08Å; N1139-K1141 WeakPolarHBondContact OD1-CB 3.46Å; N1139-K1141 PolarHBondContact OD1-N 3.49Å; N1139-S1191 PolarHBondContact N-OG 3.04Å
1140N87.1Confident90.1Very high36 Ų3629.4 Ų29.419%0.19315%0.15CC..SBendtrans61.14.6-178-58.8-23.2000116.8P1096 D1097 S1137 T1157P1096-N1140 VanDerWaalsContact CB-OD1 3.28Å; P1096-N1140 WeakPolarHBondContact CB-OD1 3.25Å; P1096-N1140 WeakPolarHBondContact CD-OD1 3.46Å; P1096-N1140 WeakPolarHBondContact CG-OD1 3.3Å; D1097-N1140 WeakPolarHBondContact CB-ND2 3.28Å; D1097-N1140 PolarHBondContact N-ND2 3.32Å; D1097-N1140 PolarHBondContact OD2-ND2 3.37Å; S1137-N1140 PolarHBondContact O-N 3.21Å; N1140-T1157 PolarHBondContact O-OG1 3.47Å
1141K88.7Confident89.9Confident124 Ų12429 Ų2954%0.53914%0.144SC..SBendtrans-86.9-24-176.2-66.5-177178.2-175.80113.9S1137 N1139 T1157S1137-K1141 PolarHBondContact OG-N 3.42Å; N1139-K1141 PolarHBondContact O-N 2.93Å; N1139-K1141 VanDerWaalsContact O-N 3.08Å; N1139-K1141 WeakPolarHBondContact OD1-CB 3.46Å; N1139-K1141 PolarHBondContact OD1-N 3.49Å; K1141-T1157 WeakPolarHBondContact CA-OG1 3.48Å; K1141-T1157 PolarHBondContact O-N 2.9Å; K1141-T1157 PolarHBondContact O-OG1 2.9Å
1142L93.1Very high89.8Confident24 Ų2429 Ų2913%0.12614%0.144CC..EExtended strand (participates in β ladder)trans-123.4147-171.2-51.9172.4000110.5S1137 I1154 W1155 T1157 L1163 F1187 V1206S1137-L1142 PolarHBondContact N-O 2.86Å; S1137-L1142 PolarHBondContact OG-N 2.98Å; S1137-L1142 PolarHBondContact OG-O 3.16Å; L1142-I1154 HydrophobicContact CB-CG2 4.34Å; L1142-I1154 HydrophobicContact CD2-CG2 4.32Å; L1142-W1155 CarbonylContact C-O 3.54Å; L1142-W1155 VanDerWaalsContact CA-O 3.28Å; L1142-W1155 WeakPolarHBondContact CA-O 3.48Å; L1142-T1157 VanDerWaalsContact C-CG2 3.48Å; L1142-L1163 HydrophobicContact CD2-CD1 3.31Å; L1142-F1187 HydrophobicContact CB-CZ 4.27Å; L1142-V1206 HydrophobicContact CD1-CG1 3.39Å
1143L93.8Very high89.8Confident0 Ų027 Ų270%014%0.137CC..EExtended strand (participates in β ladder)trans-123.5129.2168.6-17780.5000108.4S1102 I1112 L1124 C1134 T1135 F1136 T1145 I1154 W1155 T1157S1102-L1143 WeakPolarHBondContact OG-CD1 3.36Å; I1112-L1143 HydrophobicContact CD1-CD2 4.07Å; I1112-L1143 HydrophobicContact CG1-CD2 4.05Å; L1124-L1143 HydrophobicContact CD1-CD2 3.42Å; L1124-L1143 VanDerWaalsContact CD1-CD2 3.42Å; C1134-L1143 HydrophobicContact CB-CD1 4.49Å; T1135-L1143 WeakPolarHBondContact O-CA 3.39Å; T1135-L1143 WeakPolarHBondContact O-CD1 3.35Å; F1136-L1143 HydrophobicContact CD1-CB 4.43Å; F1136-L1143 HydrophobicContact CD1-CD1 3.77Å; F1136-L1143 HydrophobicContact CD2-CD1 4.08Å; F1136-L1143 HydrophobicContact CE1-CB 4.44Å; F1136-L1143 HydrophobicContact CE1-CD1 3.77Å; F1136-L1143 HydrophobicContact CE2-CD1 4.09Å; F1136-L1143 HydrophobicContact CG-CD1 3.94Å; F1136-L1143 HydrophobicContact CZ-CD1 3.94Å; L1143-T1145 HydrophobicContact CD2-CG2 3.97Å; L1143-T1145 HydrophobicContact CG-CG2 4.32Å; L1143-I1154 WeakPolarHBondContact O-CA 3.41Å; L1143-W1155 HydrophobicContact CB-CB 4.32Å; L1143-W1155 PolarHBondContact N-O 2.76Å; L1143-W1155 PolarHBondContact O-N 3.12Å; L1143-T1157 HydrophobicContact CB-CG2 4.04Å
1144A93.9Very high89.9Confident0 Ų026.9 Ų26.90%014%0.135CC..EExtended strand (participates in β ladder)trans-101.5136.1169.800000109.9C1134 T1135 R1153 I1154 L1185 F1187 L1194C1134-A1144 CarbonylContact C-O 3.56Å; C1134-A1144 VanDerWaalsContact CA-O 3.23Å; C1134-A1144 WeakPolarHBondContact CA-O 3.44Å; T1135-A1144 HydrophobicContact CG2-CB 4.1Å; T1135-A1144 PolarHBondContact N-O 3.45Å; T1135-A1144 PolarHBondContact O-N 2.94Å; A1144-R1153 CarbonylContact C-O 3.59Å; A1144-R1153 VanDerWaalsContact CA-O 3.3Å; A1144-R1153 WeakPolarHBondContact CA-O 3.47Å; A1144-I1154 HydrophobicContact CB-CD1 3.7Å; A1144-L1185 HydrophobicContact CB-CD1 4Å; A1144-F1187 HydrophobicContact CB-CE2 3.65Å; A1144-F1187 HydrophobicContact CB-CZ 3.66Å; A1144-L1194 HydrophobicContact CB-CD1 4.01Å; A1144-L1194 HydrophobicContact CB-CD2 3.76Å
1145T93.9Very high89.8Confident0 Ų027 Ų270%014%0.135CC..EExtended strand (participates in β ladder)trans-125.9142.117557.80000110.4A1110 H1127 V1131 C1133 C1134 L1143 I1152 R1153 W1155A1110-T1145 HydrophobicContact CB-CG2 3.81Å; H1127-T1145 PolarHBondContact NE2-OG1 3.38Å; V1131-T1145 HydrophobicContact CG1-CG2 4.48Å; C1133-T1145 WeakPolarHBondContact O-CA 3.47Å; C1134-T1145 HydrophobicContact CB-CG2 4.16Å; L1143-T1145 HydrophobicContact CD2-CG2 3.97Å; L1143-T1145 HydrophobicContact CG-CG2 4.32Å; T1145-I1152 CarbonylContact O-C 3.58Å; T1145-I1152 VanDerWaalsContact O-CA 3.29Å; T1145-I1152 WeakPolarHBondContact O-CA 3.36Å; T1145-R1153 PolarHBondContact N-O 3.1Å; T1145-R1153 PolarHBondContact O-N 2.92Å; T1145-W1155 PolarHBondContact OG1-NE1 3.4Å
1146G91.8Very high89.7Confident0 Ų027.2 Ų27.20%014%0.135CC..EExtended strand (participates in β ladder)trans-129.1145.2-179.800000112V1131 R1132 C1133 E1151V1131-G1146 CarbonylContact C-O 3.58Å; V1131-G1146 WeakPolarHBondContact CG1-O 3.5Å; R1132-G1146 PolarHBondContact N-O 3.03Å; C1133-G1146 PolarHBondContact N-O 3.34Å; C1133-G1146 PolarHBondContact O-N 2.91Å; G1146-E1151 WeakPolarHBondContact CA-O 3.3Å
1147D89.5Confident89.5Confident0 Ų026.8 Ų26.80%013%0.133CC..EExtended strand (participates in β ladder)trans-123.6178.4-173.378.612.1000115.9H1127 C1130 K1149 G1150 E1151 V1182H1127-D1147 IonicContact CE1-OD2 2.74Å; H1127-D1147 IonicContact CG-OD2 3.52Å; H1127-D1147 IonicContact ND1-OD2 3.82Å; H1127-D1147 PolarHBondContact ND1-OD2 3.21Å; C1130-D1147 CarbonylContact O-C 3.52Å; C1130-D1147 WeakPolarHBondContact O-CA 3.32Å; C1130-D1147 VanDerWaalsContact O-CB 3.24Å; C1130-D1147 WeakPolarHBondContact O-CB 3.42Å; D1147-K1149 VanDerWaalsContact C-N 3.26Å; D1147-K1149 PolarHBondContact O-N 3.05Å; D1147-K1149 WeakPolarHBondContact OD1-CA 3.3Å; D1147-K1149 PolarHBondContact OD1-N 3.36Å; D1147-G1150 PolarHBondContact O-N 2.8Å; D1147-G1150 PolarHBondContact OD1-N 2.83Å; D1147-E1151 PolarHBondContact N-O 3.29Å; D1147-E1151 VanDerWaalsContact N-O 3.1Å; D1147-E1151 WeakPolarHBondContact OD1-CB 3.39Å; D1147-E1151 PolarHBondContact OD1-N 3.18Å; D1147-E1151 VanDerWaalsContact OD2-CB 3.25Å; D1147-E1151 WeakPolarHBondContact OD2-CB 3.4Å; D1147-V1182 PolarHBondContact O-N 3.17Å
1148D85Confident89.2Confident36 Ų3632.5 Ų32.519%0.19316%0.163CC..THydrogen-bonded Turntrans-67.9-13.8176.8-80.739000114.7A1129 C1130 R1132A1129-D1148 HydrophobicContact CB-CB 4.02Å; C1130-D1148 PolarHBondContact O-N 2.86Å; R1132-D1148 VanDerWaalsContact CD-OD1 3.28Å; R1132-D1148 WeakPolarHBondContact CD-OD1 3.32Å; R1132-D1148 WeakPolarHBondContact CG-OD1 3.26Å; R1132-D1148 IonicContact CZ-OD1 3.65Å; R1132-D1148 VanDerWaalsContact CZ-OD1 3.31Å; R1132-D1148 IonicContact CZ-OD2 2.85Å; R1132-D1148 VanDerWaalsContact NE-CG 3.28Å; R1132-D1148 IonicContact NE-OD1 2.79Å; R1132-D1148 PolarHBondContact NE-OD1 2.92Å; R1132-D1148 IonicContact NE-OD2 2.66Å; R1132-D1148 IonicContact NH2-OD1 3.48Å; R1132-D1148 PolarHBondContact NH2-OD1 2.74Å; R1132-D1148 IonicContact NH2-OD2 2.87Å; R1132-D1148 PolarHBondContact NH2-OD2 3.35Å
1149K79.6Confident89.2Confident105 Ų10532.9 Ų32.946%0.45716%0.163SC..THydrogen-bonded Turntrans-96.5-3.5175-76.2-174178.7-174.20112.3E1128 A1129 D1147 P1176E1128-K1149 IonicContact OE2-NZ 3.87Å; E1128-K1149 PolarHBondContact OE2-NZ 3.11Å; A1129-K1149 HydrophobicContact CB-CD 4.29Å; A1129-K1149 HydrophobicContact CB-CG 3.9Å; D1147-K1149 VanDerWaalsContact C-N 3.26Å; D1147-K1149 PolarHBondContact O-N 3.05Å; D1147-K1149 WeakPolarHBondContact OD1-CA 3.3Å; D1147-K1149 PolarHBondContact OD1-N 3.36Å; K1149-P1176 WeakPolarHBondContact O-CB 3.43Å
1150G79.2Confident89.1Confident0 Ų030.2 Ų30.20%015%0.152CC..SBendtrans88.614.4-175.700000113.2D1147 T1177 H1178 G1180D1147-G1150 PolarHBondContact O-N 2.8Å; D1147-G1150 PolarHBondContact OD1-N 2.83Å; G1150-T1177 PolarHBondContact O-OG1 2.7Å; G1150-H1178 PolarHBondContact O-CD2 3.02Å; G1150-H1178 VanDerWaalsContact O-CD2 3.29Å; G1150-G1180 WeakPolarHBondContact CA-O 3.38Å; G1150-G1180 PolarHBondContact N-O 2.86Å
1151E86.6Confident89.2Confident29 Ų2934.7 Ų34.714%0.13617%0.172CC..  trans-84.5132.5179.4-159.3-175.2156.800110.2G1146 D1147 R1153 L1165G1146-E1151 WeakPolarHBondContact CA-O 3.3Å; D1147-E1151 PolarHBondContact N-O 3.29Å; D1147-E1151 VanDerWaalsContact N-O 3.1Å; D1147-E1151 WeakPolarHBondContact OD1-CB 3.39Å; D1147-E1151 PolarHBondContact OD1-N 3.18Å; D1147-E1151 VanDerWaalsContact OD2-CB 3.25Å; D1147-E1151 WeakPolarHBondContact OD2-CB 3.4Å; E1151-R1153 IonicContact OE1-CZ 2.71Å; E1151-R1153 IonicContact OE1-NE 3.09Å; E1151-R1153 PolarHBondContact OE1-NE 2.83Å; E1151-R1153 IonicContact OE1-NH2 3.39Å; E1151-R1153 PolarHBondContact OE1-NH2 3.03Å; E1151-R1153 IonicContact OE2-NH2 2.69Å; E1151-L1165 HydrophobicContact CG-CD1 3.59Å; E1151-L1165 WeakPolarHBondContact OE1-CD1 3.45Å
1152I90.5Very high89.2Confident0 Ų032.5 Ų32.50%017%0.166CC..EExtended strand (participates in β ladder)trans-119.1128.3176.4-59.3170000109.2T1145 I1154 C1166 H1178 V1182 L1185 L1194 S1196 W1204T1145-I1152 CarbonylContact O-C 3.58Å; T1145-I1152 VanDerWaalsContact O-CA 3.29Å; T1145-I1152 WeakPolarHBondContact O-CA 3.36Å; I1152-I1154 HydrophobicContact CG2-CD1 4.41Å; I1152-C1166 HydrophobicContact CB-CB 4.04Å; I1152-C1166 HydrophobicContact CG2-CB 4.25Å; I1152-C1166 PolarHBondContact O-N 3.39Å; I1152-H1178 WeakPolarHBondContact CD1-NE2 3.36Å; I1152-V1182 HydrophobicContact CD1-CG1 4.33Å; I1152-V1182 HydrophobicContact CD1-CG2 4.29Å; I1152-V1182 HydrophobicContact CG1-CG1 4.28Å; I1152-V1182 HydrophobicContact CG1-CG2 3.82Å; I1152-L1185 HydrophobicContact CD1-CD2 4.03Å; I1152-L1185 HydrophobicContact CG1-CD2 4.42Å; I1152-L1185 HydrophobicContact CG2-CD2 4.37Å; I1152-L1194 HydrophobicContact CG2-CD2 3.89Å; I1152-S1196 VanDerWaalsContact CD1-CB 3.42Å; I1152-W1204 HydrophobicContact CD1-CZ2 4.46Å
1153R91.5Very high88.9Confident28 Ų2834.7 Ų34.711%0.10618%0.177CC..EExtended strand (participates in β ladder)trans-120.9139.7-179.9-69.5-174.6-179.1-163.36.4111.6G1126 A1144 T1145 E1151 W1155 L1162 L1165G1126-R1153 PolarHBondContact O-NH1 2.96Å; G1126-R1153 PolarHBondContact O-NH2 3.18Å; A1144-R1153 CarbonylContact C-O 3.59Å; A1144-R1153 VanDerWaalsContact CA-O 3.3Å; A1144-R1153 WeakPolarHBondContact CA-O 3.47Å; T1145-R1153 PolarHBondContact N-O 3.1Å; T1145-R1153 PolarHBondContact O-N 2.92Å; E1151-R1153 IonicContact OE1-CZ 2.71Å; E1151-R1153 IonicContact OE1-NE 3.09Å; E1151-R1153 PolarHBondContact OE1-NE 2.83Å; E1151-R1153 IonicContact OE1-NH2 3.39Å; E1151-R1153 PolarHBondContact OE1-NH2 3.03Å; E1151-R1153 IonicContact OE2-NH2 2.69Å; R1153-W1155 HydrophobicContact CB-CZ2 4.05Å; R1153-W1155 HydrophobicContact CG-CZ2 4.45Å; R1153-L1162 HydrophobicContact CB-CD1 3.72Å; R1153-L1162 HydrophobicContact CG-CD1 3.98Å; R1153-L1165 HydrophobicContact CG-CD1 3.78Å
1154I92.9Very high88.4Confident1 Ų137.8 Ų37.81%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-110.7121.7177-48.9-58.6000109L1142 L1143 A1144 I1152 L1163 H1164 L1194 V1206L1142-I1154 HydrophobicContact CB-CG2 4.34Å; L1142-I1154 HydrophobicContact CD2-CG2 4.32Å; L1143-I1154 WeakPolarHBondContact O-CA 3.41Å; A1144-I1154 HydrophobicContact CB-CD1 3.7Å; I1152-I1154 HydrophobicContact CG2-CD1 4.41Å; I1154-L1163 PolarHBondContact O-N 3.27Å; I1154-H1164 HydrophobicContact CB-CB 4.32Å; I1154-H1164 HydrophobicContact CG1-CB 4.43Å; I1154-H1164 PolarHBondContact N-O 3.26Å; I1154-H1164 PolarHBondContact O-N 3.21Å; I1154-L1194 HydrophobicContact CD1-CD2 3.63Å; I1154-V1206 HydrophobicContact CG2-CG1 4.21Å
1155W92.9Very high87.9Confident10 Ų1041.3 Ų41.34%0.03821%0.21CC..EExtended strand (participates in β ladder)trans-114.9147.6-175.5-53.289.9000111L1124 L1142 L1143 T1145 R1153 E1161 L1162L1124-W1155 HydrophobicContact CB-CD2 4.14Å; L1124-W1155 HydrophobicContact CB-CE3 4.23Å; L1124-W1155 HydrophobicContact CB-CH2 4.23Å; L1124-W1155 HydrophobicContact CB-CZ2 4.14Å; L1124-W1155 HydrophobicContact CB-CZ3 4.26Å; L1124-W1155 HydrophobicContact CD1-CB 4.19Å; L1124-W1155 HydrophobicContact CD1-CD2 4.05Å; L1124-W1155 HydrophobicContact CD1-CG 3.82Å; L1124-W1155 HydrophobicContact CD2-CB 4.43Å; L1124-W1155 HydrophobicContact CD2-CD2 4.05Å; L1124-W1155 HydrophobicContact CD2-CE3 3.8Å; L1124-W1155 HydrophobicContact CD2-CG 4.33Å; L1124-W1155 HydrophobicContact CD2-CZ3 4.37Å; L1124-W1155 HydrophobicContact CG-CD2 4.31Å; L1124-W1155 HydrophobicContact CG-CE3 4.43Å; L1142-W1155 CarbonylContact C-O 3.54Å; L1142-W1155 VanDerWaalsContact CA-O 3.28Å; L1142-W1155 WeakPolarHBondContact CA-O 3.48Å; L1143-W1155 HydrophobicContact CB-CB 4.32Å; L1143-W1155 PolarHBondContact N-O 2.76Å; L1143-W1155 PolarHBondContact O-N 3.12Å; T1145-W1155 PolarHBondContact OG1-NE1 3.4Å; R1153-W1155 HydrophobicContact CB-CZ2 4.05Å; R1153-W1155 HydrophobicContact CG-CZ2 4.45Å; W1155-E1161 WeakPolarHBondContact CA-O 3.18Å; W1155-L1162 HydrophobicContact CD2-CD1 4.01Å; W1155-L1162 HydrophobicContact CE3-CB 3.82Å; W1155-L1162 HydrophobicContact CE3-CD1 4.06Å; W1155-L1162 HydrophobicContact CH2-CB 4.15Å; W1155-L1162 HydrophobicContact CH2-CD1 4.03Å; W1155-L1162 HydrophobicContact CZ2-CD1 3.98Å; W1155-L1162 HydrophobicContact CZ3-CB 3.57Å; W1155-L1162 HydrophobicContact CZ3-CD1 4.08Å; W1155-L1162 HydrophobicContact CZ3-CG 4.37Å
1156D92.1Very high86.9Confident34 Ų3441.3 Ų41.318%0.18221%0.21CC..EExtended strand (participates in β ladder)trans-80.4130.2166.9-170.7-58000109.9L1158 T1159 G1160 E1161 L1163D1156-L1158 WeakPolarHBondContact OD1-CA 3.3Å; D1156-L1158 VanDerWaalsContact OD1-CB 3.3Å; D1156-L1158 WeakPolarHBondContact OD1-CB 3.32Å; D1156-L1158 PolarHBondContact OD1-N 2.84Å; D1156-T1159 WeakPolarHBondContact CB-OG1 3.37Å; D1156-T1159 PolarHBondContact OD1-N 2.96Å; D1156-T1159 VanDerWaalsContact OD1-N 3.13Å; D1156-G1160 WeakPolarHBondContact O-CA 3.04Å; D1156-G1160 PolarHBondContact O-N 3.35Å; D1156-E1161 PolarHBondContact N-O 3.06Å; D1156-L1163 HydrophobicContact CB-CD1 3.92Å; D1156-L1163 HydrophobicContact CB-CD2 4.21Å; D1156-L1163 HydrophobicContact CB-CG 4.02Å
1157T89.2Confident85.5Confident2 Ų243.2 Ų43.21%0.01222%0.223CC..THydrogen-bonded Turntrans-83-10.4-176.364.30000114.6K1100 F1136 N1140 K1141 L1142 L1143K1100-T1157 PolarHBondContact NZ-O 3.45Å; F1136-T1157 HydrophobicContact CD1-CG2 3.83Å; F1136-T1157 HydrophobicContact CE1-CG2 3.67Å; N1140-T1157 PolarHBondContact O-OG1 3.47Å; K1141-T1157 WeakPolarHBondContact CA-OG1 3.48Å; K1141-T1157 PolarHBondContact O-N 2.9Å; K1141-T1157 PolarHBondContact O-OG1 2.9Å; L1142-T1157 VanDerWaalsContact C-CG2 3.48Å; L1143-T1157 HydrophobicContact CB-CG2 4.04Å
1158L87.8Confident83.7Confident120 Ų12045 Ų4563%0.62824%0.235SC*.THydrogen-bonded Turntrans-95.5-40.5178.2-63.6171.6000111.6H1122 D1156H1122-L1158 PolarHBondContact CE1-O 2.81Å; H1122-L1158 PolarHBondContact NE2-O 3.36Å; H1122-L1158 VanDerWaalsContact NE2-O 3.15Å; D1156-L1158 WeakPolarHBondContact OD1-CA 3.3Å; D1156-L1158 VanDerWaalsContact OD1-CB 3.3Å; D1156-L1158 WeakPolarHBondContact OD1-CB 3.32Å; D1156-L1158 PolarHBondContact OD1-N 2.84Å
1159T87.2Confident81.8Confident70 Ų7048.6 Ų48.643%0.42926%0.258SS..THydrogen-bonded Turntrans-97.3-27.4-179.865.50000112.6H1122 D1156 E1161H1122-T1159 PolarHBondContact CE1-O 2.88Å; H1122-T1159 PolarHBondContact ND1-O 3.08Å; D1156-T1159 WeakPolarHBondContact CB-OG1 3.37Å; D1156-T1159 PolarHBondContact OD1-N 2.96Å; D1156-T1159 VanDerWaalsContact OD1-N 3.13Å; T1159-E1161 WeakPolarHBondContact OG1-CB 3.47Å; T1159-E1161 PolarHBondContact OG1-N 3.03Å
1160G85.9Confident80.1Confident15 Ų1547.9 Ų47.916%0.15526%0.262CS..  trans75.811-170.600000113.5L1124 D1156L1124-G1160 WeakPolarHBondContact CD2-O 3.5Å; D1156-G1160 WeakPolarHBondContact O-CA 3.04Å; D1156-G1160 PolarHBondContact O-N 3.35Å
1161E88.3Confident78.3Confident131 Ų13153.8 Ų53.861%0.61230%0.298SS*.  trans-83.3149.5179.6-66.5-179.1162.700111.8W1155 D1156 T1159 L1163W1155-E1161 WeakPolarHBondContact CA-O 3.18Å; D1156-E1161 PolarHBondContact N-O 3.06Å; T1159-E1161 WeakPolarHBondContact OG1-CB 3.47Å; T1159-E1161 PolarHBondContact OG1-N 3.03Å; E1161-L1163 PolarHBondContact O-N 2.91Å
1162L89.6Confident76.2Confident77 Ų7755.2 Ų55.240%0.40331%0.307SS..EExtended strand (participates in β ladder)trans-73.9119.7172.1-177.565.3000109R1153 W1155R1153-L1162 HydrophobicContact CB-CD1 3.72Å; R1153-L1162 HydrophobicContact CG-CD1 3.98Å; W1155-L1162 HydrophobicContact CD2-CD1 4.01Å; W1155-L1162 HydrophobicContact CE3-CB 3.82Å; W1155-L1162 HydrophobicContact CE3-CD1 4.06Å; W1155-L1162 HydrophobicContact CH2-CB 4.15Å; W1155-L1162 HydrophobicContact CH2-CD1 4.03Å; W1155-L1162 HydrophobicContact CZ2-CD1 3.98Å; W1155-L1162 HydrophobicContact CZ3-CB 3.57Å; W1155-L1162 HydrophobicContact CZ3-CD1 4.08Å; W1155-L1162 HydrophobicContact CZ3-CG 4.37Å
1163L86.3Confident73.9Confident71 Ų7159.7 Ų59.737%0.37233%0.328SS..EExtended strand (participates in β ladder)trans-88.3-55.9177.3-66.2172.9000111L1142 I1154 D1156 E1161L1142-L1163 HydrophobicContact CD2-CD1 3.31Å; I1154-L1163 PolarHBondContact O-N 3.27Å; D1156-L1163 HydrophobicContact CB-CD1 3.92Å; D1156-L1163 HydrophobicContact CB-CD2 4.21Å; D1156-L1163 HydrophobicContact CB-CG 4.02Å; E1161-L1163 PolarHBondContact O-N 2.91Å
1164H82.9Confident71.4Confident64 Ų6462.4 Ų62.430%0.29636%0.364SS..EExtended strand (participates in β ladder)trans-138.6143.9-175.1-60.8-69.3000111.1I1154 V1206 T1207I1154-H1164 HydrophobicContact CB-CB 4.32Å; I1154-H1164 HydrophobicContact CG1-CB 4.43Å; I1154-H1164 PolarHBondContact N-O 3.26Å; I1154-H1164 PolarHBondContact O-N 3.21Å; H1164-V1206 PolarHBondContact CD2-O 3.47Å; H1164-V1206 VanDerWaalsContact CD2-O 3.3Å; H1164-T1207 PolarHBondContact CE1-O 3.27Å; H1164-T1207 PolarHBondContact NE2-O 3.08Å; H1164-T1207 VanDerWaalsContact NE2-O 3.15Å
1165L82.9Confident69Low75 Ų7568.2 Ų68.239%0.39339%0.392SS..EExtended strand (participates in β ladder)trans-104.2113.1168.1176.162.3000107.9E1151 R1153 S1167E1151-L1165 HydrophobicContact CG-CD1 3.59Å; E1151-L1165 WeakPolarHBondContact OE1-CD1 3.45Å; R1153-L1165 HydrophobicContact CG-CD1 3.78Å; L1165-S1167 WeakPolarHBondContact CD2-OG 3.49Å; L1165-S1167 PolarHBondContact O-N 3.02Å
1166C72.4Confident66.7Low0 Ų070.7 Ų70.70%041%0.409CS..EExtended strand (participates in β ladder)trans-86.363.7177.3-61.60000109.2I1152 W1204I1152-C1166 HydrophobicContact CB-CB 4.04Å; I1152-C1166 HydrophobicContact CG2-CB 4.25Å; I1152-C1166 PolarHBondContact O-N 3.39Å; C1166-W1204 HydrophobicContact CB-CD2 4Å; C1166-W1204 HydrophobicContact CB-CE3 3.78Å; C1166-W1204 HydrophobicContact CB-CH2 4.28Å; C1166-W1204 HydrophobicContact CB-CZ2 4.47Å; C1166-W1204 HydrophobicContact CB-CZ3 3.95Å; C1166-W1204 WeakPolarHBondContact O-CH2 3.19Å
1167S63.1Low64.8Low39 Ų3971.4 Ų71.427%0.27342%0.415SS..  trans-114.6128.5173.368.70000109.8L1165 V1169L1165-S1167 WeakPolarHBondContact CD2-OG 3.49Å; L1165-S1167 PolarHBondContact O-N 3.02Å; S1167-V1169 PolarHBondContact O-N 3.3Å
1168P52.9Low63.3Low37 Ų3771.3 Ų71.324%0.2441%0.414CS..  trans-79.1104.1157.431-19.5000106.7T1170 T1177P1168-T1170 PolarHBondContact O-N 3.04Å; P1168-T1177 HydrophobicContact CG-CG2 4.29Å; P1168-T1177 WeakPolarHBondContact O-CG2 3.38Å
1169V43.9Very low61.9Low113 Ų11367.9 Ų67.969%0.68541%0.407SS*.  trans-66.1116.8163.8173.70000107.6S1167 V1171S1167-V1169 PolarHBondContact O-N 3.3Å; V1169-V1171 HydrophobicContact CG1-CG2 3.97Å
1170T43.8Very low61Low89 Ų8965 Ų6555%0.54639%0.392SS..  trans-130133.2138.250.20000108.3P1168 D1172P1168-T1170 PolarHBondContact O-N 3.04Å; T1170-D1172 PolarHBondContact O-N 3.26Å
1171V41Very low60.6Low125 Ų12570.9 Ų70.976%0.75841%0.41SS*.  trans-79.30.9-170.5177.10000111.7V1169 E1173V1169-V1171 HydrophobicContact CG1-CG2 3.97Å; V1171-E1173 PolarHBondContact O-N 3.1Å
1172D43.6Very low60.6Low59 Ų5964.7 Ų64.732%0.31638%0.381SS..SBendtrans-82.8-21.4-153.2-7818.4000115.3S213 Q214 T1170S213-D1172 VanDerWaalsContact CA-OD2 3.24Å; S213-D1172 WeakPolarHBondContact CA-OD2 3.17Å; S213-D1172 WeakPolarHBondContact CB-OD2 3.47Å; S213-D1172 PolarHBondContact OG-OD2 2.92Å; Q214-D1172 PolarHBondContact N-OD2 3.16Å; Q214-D1172 VanDerWaalsContact N-OD2 3.11Å; T1170-D1172 PolarHBondContact O-N 3.26Å
1173E41.8Very low60.4Low93 Ų9363 Ų6344%0.43537%0.374SS..SBendtrans-145.62.5-172.9-101.4164.6-14500117.9R215 R226 V1171 E1175R215-E1173 IonicContact CZ-OE1 3.66Å; R215-E1173 IonicContact NE-OE1 3.6Å; R215-E1173 IonicContact NH2-OE1 3.57Å; R215-E1173 PolarHBondContact NH2-OE1 3.21Å; R215-E1173 IonicContact NH2-OE2 3.24Å; R226-E1173 IonicContact NH2-OE1 3.26Å; V1171-E1173 PolarHBondContact O-N 3.1Å; E1173-E1175 PolarHBondContact O-N 2.93Å
1174G39.7Very low60.6Low85 Ų8561.9 Ų61.988%0.87637%0.368SS*.  trans61.75.5177.600000115.3
1175E41.9Very low61.2Low123 Ų12359 Ų5958%0.57536%0.355SS*.  trans-78.9141.5171.3-71.9-165.6164.200110.6R557 E1173 T1177R557-E1175 IonicContact NH2-OE2 3.69Å; E1173-E1175 PolarHBondContact O-N 2.93Å; E1175-T1177 PolarHBondContact O-N 2.57Å
1176P45.3Very low61.6Low62 Ų6257 Ų5740%0.40335%0.347SS..  trans-63.1132.5-175.823.9-32.9000112.4K1149 H1178 G1179K1149-P1176 WeakPolarHBondContact O-CB 3.43Å; P1176-H1178 PolarHBondContact O-N 2.94Å; P1176-G1179 PolarHBondContact O-N 3.04Å
1177T50.9Low62.6Low49 Ų4957.6 Ų57.630%0.30135%0.35SS..THydrogen-bonded Turntrans-60.9-11.6-171.248.60000115.8G1150 P1168 E1175 Y1200G1150-T1177 PolarHBondContact O-OG1 2.7Å; P1168-T1177 HydrophobicContact CG-CG2 4.29Å; P1168-T1177 WeakPolarHBondContact O-CG2 3.38Å; E1175-T1177 PolarHBondContact O-N 2.57Å; T1177-Y1200 PolarHBondContact O-OH 3.48Å
1178H58.8Low64Low1 Ų155.9 Ų55.91%0.00534%0.338CS..THydrogen-bonded Turntrans-123.217.9-177-112.3-65.8000113G1150 I1152 P1176 G1180 S1196 G1199 Y1200 K1202 W1204G1150-H1178 PolarHBondContact O-CD2 3.02Å; G1150-H1178 VanDerWaalsContact O-CD2 3.29Å; I1152-H1178 WeakPolarHBondContact CD1-NE2 3.36Å; P1176-H1178 PolarHBondContact O-N 2.94Å; H1178-G1180 PolarHBondContact O-N 2.85Å; H1178-S1196 PolarHBondContact CE1-OG 3.44Å; H1178-S1196 PolarHBondContact NE2-OG 3.4Å; H1178-G1199 VanDerWaalsContact O-CA 3.27Å; H1178-G1199 WeakPolarHBondContact O-CA 3.11Å; H1178-G1199 PolarHBondContact O-N 2.87Å; H1178-Y1200 WeakPolarHBondContact CA-OH 3.49Å; H1178-Y1200 AromaticContact ND1-CE2 3.71Å; H1178-K1202 VanDerWaalsContact CE1-CB 3.43Å; H1178-K1202 WeakPolarHBondContact CE1-CB 3.26Å; H1178-W1204 AromaticContact CD2-CZ2 3.89Å; H1178-W1204 AromaticContact CE1-NE1 3.97Å; H1178-W1204 AromaticContact NE2-CE2 3.57Å; H1178-W1204 AromaticContact NE2-CZ2 3.15Å; H1178-W1204 WeakPolarHBondContact NE2-CZ2 3.34Å; H1178-W1204 AromaticContact NE2-NE1 3.45Å; H1178-W1204 PolarHBondContact NE2-NE1 3.19Å
1179G57.7Low65.7Low47 Ų4757.6 Ų57.649%0.48535%0.349SS..SBendtrans70.215.4-171.300000113.1P1176P1176-G1179 PolarHBondContact O-N 3.04Å
1180G68.4Low67.8Low11 Ų1156.7 Ų56.711%0.11334%0.34CS..SBendtrans118.2-142.7-175.800000112.7G1150 H1178G1150-G1180 WeakPolarHBondContact CA-O 3.38Å; G1150-G1180 PolarHBondContact N-O 2.86Å; H1178-G1180 PolarHBondContact O-N 2.85Å
1181W77.7Confident70Confident137 Ų13752.8 Ų52.852%0.51932%0.316SS..  trans-59.6136.1-167.6-56.1-12.7000113.3G1198W1181-G1198 WeakPolarHBondContact O-CA 3.48Å
1182V87.1Confident72.3Confident1 Ų152.9 Ų52.91%0.00631%0.307CS..  trans-83.2122.3163.1-167.80000108.3R1132 D1147 I1152 L1185 S1197R1132-V1182 VanDerWaalsContact CB-O 3.31Å; R1132-V1182 WeakPolarHBondContact CB-O 3.37Å; D1147-V1182 PolarHBondContact O-N 3.17Å; I1152-V1182 HydrophobicContact CD1-CG1 4.33Å; I1152-V1182 HydrophobicContact CD1-CG2 4.29Å; I1152-V1182 HydrophobicContact CG1-CG1 4.28Å; I1152-V1182 HydrophobicContact CG1-CG2 3.82Å; V1182-L1185 HydrophobicContact CG1-CD2 3.88Å; V1182-L1185 HydrophobicContact CG1-CG 4.11Å; V1182-S1197 WeakPolarHBondContact CA-O 3.47Å
1183T87.1Confident74.6Confident42 Ų4251.2 Ų51.226%0.25830%0.298SS..  trans-101.6-36.2-175.751.90000112.9C1133 S1197 L1222 K1223C1133-T1183 WeakPolarHBondContact CB-O 3.29Å; T1183-S1197 PolarHBondContact N-O 3.34Å; T1183-S1197 PolarHBondContact OG1-O 3.23Å; T1183-S1197 PolarHBondContact OG1-OG 3.11Å; T1183-L1222 WeakPolarHBondContact CB-O 3.16Å; T1183-L1222 VanDerWaalsContact CG2-O 3.23Å; T1183-L1222 WeakPolarHBondContact CG2-O 3.41Å; T1183-L1222 PolarHBondContact OG1-O 2.84Å; T1183-K1223 WeakPolarHBondContact CB-O 3.44Å; T1183-K1223 PolarHBondContact OG1-O 2.85Å
1184D90.5Very high77.1Confident47 Ų4746.8 Ų46.825%0.25128%0.278SS..EExtended strand (participates in β ladder)trans-151.5153.9-175.8-161.810.2000111.5S1197 I1225D1184-S1197 VanDerWaalsContact CB-OG 3.27Å; D1184-S1197 WeakPolarHBondContact CB-OG 3.43Å; D1184-S1197 PolarHBondContact N-OG 3.42Å; D1184-S1197 PolarHBondContact O-N 3.12Å; D1184-I1225 HydrophobicContact CB-CG2 4.26Å; D1184-I1225 PolarHBondContact OD2-N 3.08Å; D1184-I1225 VanDerWaalsContact OD2-N 3.13Å
1185L93.7Very high79.6Confident5 Ų542.8 Ų42.83%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-142.7136.1-174.4-69.4174.4000110.2T1135 A1144 I1152 V1182 L1194 V1195 S1196T1135-L1185 WeakPolarHBondContact CB-O 3.44Å; T1135-L1185 HydrophobicContact CG2-CB 3.54Å; T1135-L1185 WeakPolarHBondContact CG2-O 3.5Å; A1144-L1185 HydrophobicContact CB-CD1 4Å; I1152-L1185 HydrophobicContact CD1-CD2 4.03Å; I1152-L1185 HydrophobicContact CG1-CD2 4.42Å; I1152-L1185 HydrophobicContact CG2-CD2 4.37Å; V1182-L1185 HydrophobicContact CG1-CD2 3.88Å; V1182-L1185 HydrophobicContact CG1-CG 4.11Å; L1185-L1194 HydrophobicContact CB-CD1 4.32Å; L1185-L1194 HydrophobicContact CD2-CD1 4.45Å; L1185-L1194 HydrophobicContact CD2-CD2 4.3Å; L1185-L1194 HydrophobicContact CD2-CG 4.47Å; L1185-V1195 WeakPolarHBondContact CA-O 3.14Å; L1185-S1196 VanDerWaalsContact CD2-CB 3.48Å
1186S93.3Very high82Confident32 Ų3236.9 Ų36.922%0.22421%0.209CC..EExtended strand (participates in β ladder)trans-143.4130.1176.8-174.80000112.6V1195S1186-V1195 PolarHBondContact N-O 3.45Å; S1186-V1195 WeakPolarHBondContact O-CG1 3.22Å; S1186-V1195 PolarHBondContact O-N 3.18Å
1187F93.4Very high84.1Confident13 Ų1334 Ų346%0.05719%0.19CC..EExtended strand (participates in β ladder)trans-84149.6176.7-81.3-79.8000111.8T1135 F1136 S1137 L1142 A1144 L1194 V1206 F1231T1135-F1187 HydrophobicContact CG2-CD2 3.72Å; T1135-F1187 HydrophobicContact CG2-CE2 3.8Å; F1136-F1187 WeakPolarHBondContact O-CD2 3.43Å; S1137-F1187 VanDerWaalsContact CA-CD2 3.49Å; L1142-F1187 HydrophobicContact CB-CZ 4.27Å; A1144-F1187 HydrophobicContact CB-CE2 3.65Å; A1144-F1187 HydrophobicContact CB-CZ 3.66Å; F1187-L1194 HydrophobicContact CD1-CB 4.27Å; F1187-L1194 HydrophobicContact CD1-CD1 4.05Å; F1187-L1194 HydrophobicContact CD2-CD1 4.05Å; F1187-L1194 HydrophobicContact CE1-CB 4.23Å; F1187-L1194 HydrophobicContact CE1-CD1 4.08Å; F1187-L1194 HydrophobicContact CE2-CD1 4.08Å; F1187-L1194 HydrophobicContact CG-CD1 4.05Å; F1187-L1194 HydrophobicContact CZ-CD1 4.1Å; F1187-V1206 HydrophobicContact CD1-CG2 4.05Å; F1187-V1206 HydrophobicContact CE1-CG1 4.05Å; F1187-V1206 HydrophobicContact CE1-CG2 3.69Å; F1187-F1231 WeakPolarHBondContact O-CE2 3.45Å
1188S92.4Very high85.6Confident3 Ų331.9 Ų31.92%0.02118%0.178CC..  trans-67.1153165.162.40000111.6S1138 D1190 S1191 K1192 V1193 F1231S1138-S1188 PolarHBondContact OG-O 3.18Å; S1188-D1190 VanDerWaalsContact CB-OD1 3.24Å; S1188-D1190 WeakPolarHBondContact CB-OD1 3.41Å; S1188-D1190 PolarHBondContact O-N 3.48Å; S1188-D1190 VanDerWaalsContact O-N 3.17Å; S1188-D1190 PolarHBondContact OG-OD1 2.87Å; S1188-S1191 WeakPolarHBondContact O-CA 3.23Å; S1188-S1191 PolarHBondContact O-N 3.18Å; S1188-S1191 PolarHBondContact OG-N 3.14Å; S1188-K1192 PolarHBondContact OG-N 2.87Å; S1188-V1193 WeakPolarHBondContact CB-O 3.5Å; S1188-V1193 PolarHBondContact N-O 3.33Å; S1188-V1193 PolarHBondContact OG-N 3.27Å; S1188-V1193 PolarHBondContact OG-O 3.1Å; S1188-V1193 VanDerWaalsContact OG-O 3.09Å; S1188-F1231 VanDerWaalsContact CA-CD2 3.47Å; S1188-F1231 VanDerWaalsContact CA-CE2 3.45Å
1189P88.3Confident86.3Confident72 Ų7232.2 Ų32.247%0.46818%0.182SC..THydrogen-bonded Turntrans-56.9-30.9177.2-26.733.7000113.7S1191 P1229 F1231P1189-S1191 VanDerWaalsContact C-N 3.28Å; P1189-P1229 VanDerWaalsContact CG-O 3.23Å; P1189-P1229 WeakPolarHBondContact CG-O 3.32Å; P1189-F1231 HydrophobicContact CG-CB 4.25Å
1190D88.4Confident87.6Confident94 Ų9431.3 Ų31.350%0.50316%0.164SC..THydrogen-bonded Turntrans-83.3-2.1174.971-12.8000113.5S1188 K1192S1188-D1190 VanDerWaalsContact CB-OD1 3.24Å; S1188-D1190 WeakPolarHBondContact CB-OD1 3.41Å; S1188-D1190 PolarHBondContact O-N 3.48Å; S1188-D1190 VanDerWaalsContact O-N 3.17Å; S1188-D1190 PolarHBondContact OG-OD1 2.87Å; D1190-K1192 PolarHBondContact O-N 3.43Å; D1190-K1192 PolarHBondContact OD1-N 3.08Å; D1190-K1192 WeakPolarHBondContact OD2-CD 3.27Å
1191S89.3Confident88.6Confident7 Ų730.8 Ų30.85%0.04916%0.159CC..SBendtrans58.420.8-179.3-53.10000114.8S1138 N1139 S1188 P1189S1138-S1191 PolarHBondContact N-OG 3.12Å; N1139-S1191 PolarHBondContact N-OG 3.04Å; S1188-S1191 WeakPolarHBondContact O-CA 3.23Å; S1188-S1191 PolarHBondContact O-N 3.18Å; S1188-S1191 PolarHBondContact OG-N 3.14Å; P1189-S1191 VanDerWaalsContact C-N 3.28Å
1192K89.8Confident89.1Confident128 Ų12824.4 Ų24.456%0.55713%0.134SC*.SBendtrans-95.7-26.9178.7-67-173.8-178.1175.70113.8S1188 D1190 V1206S1188-K1192 PolarHBondContact OG-N 2.87Å; D1190-K1192 PolarHBondContact O-N 3.43Å; D1190-K1192 PolarHBondContact OD1-N 3.08Å; D1190-K1192 WeakPolarHBondContact OD2-CD 3.27Å; K1192-V1206 WeakPolarHBondContact O-CB 3.46Å; K1192-V1206 VanDerWaalsContact O-CG2 3.29Å; K1192-V1206 WeakPolarHBondContact O-CG2 3.13Å; K1192-V1206 PolarHBondContact O-N 3.43Å
1193V91.4Very high89.4Confident23 Ų2324.3 Ų24.314%0.13913%0.134CC..EExtended strand (participates in β ladder)trans-117.2138.3-178.3-177.20000109S1188 W1203 W1204 L1212 F1231S1188-V1193 WeakPolarHBondContact CB-O 3.5Å; S1188-V1193 PolarHBondContact N-O 3.33Å; S1188-V1193 PolarHBondContact OG-N 3.27Å; S1188-V1193 PolarHBondContact OG-O 3.1Å; S1188-V1193 VanDerWaalsContact OG-O 3.09Å; V1193-W1203 HydrophobicContact CG1-CB 4.26Å; V1193-W1204 CarbonylContact C-O 3.49Å; V1193-W1204 VanDerWaalsContact CA-O 3.29Å; V1193-W1204 WeakPolarHBondContact CA-O 3.38Å; V1193-L1212 HydrophobicContact CG1-CD1 4.05Å; V1193-L1212 HydrophobicContact CG2-CD1 3.91Å; V1193-F1231 HydrophobicContact CB-CE1 4.08Å; V1193-F1231 HydrophobicContact CG1-CE1 3.87Å; V1193-F1231 HydrophobicContact CG1-CZ 4.38Å
1194L93.1Very high89.5Confident1 Ų122.5 Ų22.51%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-118.7128.3172.5173.673.5000108.4T1135 A1144 I1152 I1154 L1185 F1187 W1203 W1204 V1206T1135-L1194 HydrophobicContact CG2-CD1 4.36Å; A1144-L1194 HydrophobicContact CB-CD1 4.01Å; A1144-L1194 HydrophobicContact CB-CD2 3.76Å; I1152-L1194 HydrophobicContact CG2-CD2 3.89Å; I1154-L1194 HydrophobicContact CD1-CD2 3.63Å; L1185-L1194 HydrophobicContact CB-CD1 4.32Å; L1185-L1194 HydrophobicContact CD2-CD1 4.45Å; L1185-L1194 HydrophobicContact CD2-CD2 4.3Å; L1185-L1194 HydrophobicContact CD2-CG 4.47Å; F1187-L1194 HydrophobicContact CD1-CB 4.27Å; F1187-L1194 HydrophobicContact CD1-CD1 4.05Å; F1187-L1194 HydrophobicContact CD2-CD1 4.05Å; F1187-L1194 HydrophobicContact CE1-CB 4.23Å; F1187-L1194 HydrophobicContact CE1-CD1 4.08Å; F1187-L1194 HydrophobicContact CE2-CD1 4.08Å; F1187-L1194 HydrophobicContact CG-CD1 4.05Å; F1187-L1194 HydrophobicContact CZ-CD1 4.1Å; L1194-W1203 CarbonylContact O-C 3.54Å; L1194-W1203 WeakPolarHBondContact O-CA 3.38Å; L1194-W1204 HydrophobicContact CB-CB 4.21Å; L1194-W1204 PolarHBondContact N-O 3.08Å; L1194-W1204 PolarHBondContact O-N 2.63Å; L1194-V1206 HydrophobicContact CB-CG2 3.83Å
1195V93.5Very high89.5Confident0 Ų022.2 Ų22.20%012%0.121CC..EExtended strand (participates in β ladder)trans-99.3138.4169.268.10000109.8L1185 S1186 K1202 W1203 I1225 V1227 F1231 Y1234L1185-V1195 WeakPolarHBondContact CA-O 3.14Å; S1186-V1195 PolarHBondContact N-O 3.45Å; S1186-V1195 WeakPolarHBondContact O-CG1 3.22Å; S1186-V1195 PolarHBondContact O-N 3.18Å; V1195-K1202 WeakPolarHBondContact CA-O 3.4Å; V1195-W1203 HydrophobicContact CB-CG 4.46Å; V1195-W1203 HydrophobicContact CG2-CD2 3.96Å; V1195-W1203 VanDerWaalsContact CG2-CE2 3.45Å; V1195-W1203 HydrophobicContact CG2-CG 4.28Å; V1195-W1203 HydrophobicContact CG2-CH2 4.36Å; V1195-W1203 HydrophobicContact CG2-CZ2 3.7Å; V1195-I1225 HydrophobicContact CG1-CD1 4.17Å; V1195-I1225 HydrophobicContact CG2-CD1 3.64Å; V1195-V1227 HydrophobicContact CG1-CG2 3.88Å; V1195-F1231 HydrophobicContact CB-CZ 4.27Å; V1195-F1231 HydrophobicContact CG1-CE2 4.32Å; V1195-F1231 HydrophobicContact CG1-CZ 4.11Å; V1195-Y1234 HydrophobicContact CG1-CE1 4.39Å
1196S91.5Very high89.2Confident0 Ų022.2 Ų22.20%012%0.121CC..EExtended strand (participates in β ladder)trans-126.7140.7178.459.70000111.2I1152 H1178 L1185 K1202 W1204I1152-S1196 VanDerWaalsContact CD1-CB 3.42Å; H1178-S1196 PolarHBondContact CE1-OG 3.44Å; H1178-S1196 PolarHBondContact NE2-OG 3.4Å; L1185-S1196 VanDerWaalsContact CD2-CB 3.48Å; S1196-K1202 PolarHBondContact N-O 3.08Å; S1196-K1202 PolarHBondContact O-N 3.1Å; S1196-K1202 PolarHBondContact OG-O 3Å; S1196-W1204 PolarHBondContact OG-NE1 3.19Å
1197S89.4Confident88.8Confident1 Ų125.1 Ų25.11%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-112.6143170.166.10000111.7V1182 T1183 D1184V1182-S1197 WeakPolarHBondContact CA-O 3.47Å; T1183-S1197 PolarHBondContact N-O 3.34Å; T1183-S1197 PolarHBondContact OG1-O 3.23Å; T1183-S1197 PolarHBondContact OG1-OG 3.11Å; D1184-S1197 VanDerWaalsContact CB-OG 3.27Å; D1184-S1197 WeakPolarHBondContact CB-OG 3.43Å; D1184-S1197 PolarHBondContact N-OG 3.42Å; D1184-S1197 PolarHBondContact O-N 3.12Å
1198G82.9Confident88.3Confident4 Ų427.7 Ų27.74%0.04116%0.155CC..SBendtrans-168.5-113.9175.900000110.6W1181 Y1200 L1222W1181-G1198 WeakPolarHBondContact O-CA 3.48Å; G1198-Y1200 PolarHBondContact N-O 3.39Å; G1198-Y1200 PolarHBondContact O-N 2.72Å; G1198-L1222 WeakPolarHBondContact O-CB 3.47Å; G1198-L1222 PolarHBondContact O-N 3.47Å; G1198-L1222 VanDerWaalsContact O-N 3.1Å
1199G74.1Confident87.7Confident9 Ų928 Ų289%0.09316%0.158CC..SBendtrans-58.8-32.2167.800000113.9H1178 T1220H1178-G1199 VanDerWaalsContact O-CA 3.27Å; H1178-G1199 WeakPolarHBondContact O-CA 3.11Å; H1178-G1199 PolarHBondContact O-N 2.87Å; G1199-T1220 CarbonylContact C-O 3.54Å; G1199-T1220 VanDerWaalsContact C-O 3.26Å; G1199-T1220 WeakPolarHBondContact CA-O 3.41Å
1200Y83.8Confident87.4Confident27 Ų2730.8 Ų30.811%0.10617%0.165CC..SBendtrans-161.3177.6-177.445.1-101.1000108.4T1177 H1178 G1198 K1202 T1214 F1215 Y1216T1177-Y1200 PolarHBondContact O-OH 3.48Å; H1178-Y1200 WeakPolarHBondContact CA-OH 3.49Å; H1178-Y1200 AromaticContact ND1-CE2 3.71Å; G1198-Y1200 PolarHBondContact N-O 3.39Å; G1198-Y1200 PolarHBondContact O-N 2.72Å; Y1200-K1202 HydrophobicContact CE2-CD 4.2Å; Y1200-T1214 HydrophobicContact CE2-CG2 4.23Å; Y1200-F1215 WeakPolarHBondContact CB-O 3.37Å; Y1200-Y1216 HydrophobicContact CD1-CD1 4.01Å; Y1200-Y1216 AromaticContact CD1-CE1 3.93Å; Y1200-Y1216 HydrophobicContact CD1-CE1 3.93Å; Y1200-Y1216 HydrophobicContact CE1-CE1 4.02Å; Y1200-Y1216 HydrophobicContact CG-CD1 4.15Å; Y1200-Y1216 HydrophobicContact CG-CE1 4.24Å
1201L90Very high87.2Confident1 Ų129.1 Ų29.11%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-93.3140176.6-62.7-178.3000111.1W1203 F1215 L1222 I1225 T1236 L1246L1201-W1203 HydrophobicContact CB-CH2 3.58Å; L1201-W1203 HydrophobicContact CB-CZ3 3.61Å; L1201-W1203 HydrophobicContact CD1-CH2 3.9Å; L1201-W1203 HydrophobicContact CG-CH2 4.4Å; L1201-F1215 HydrophobicContact CB-CB 4.24Å; L1201-F1215 PolarHBondContact N-O 3.2Å; L1201-F1215 PolarHBondContact O-N 3.11Å; L1201-L1222 HydrophobicContact CD2-CD1 3.53Å; L1201-L1222 HydrophobicContact CG-CD1 3.76Å; L1201-I1225 HydrophobicContact CD1-CD1 4.08Å; L1201-I1225 HydrophobicContact CD2-CD1 3.79Å; L1201-T1236 HydrophobicContact CD1-CG2 3.92Å; L1201-L1246 HydrophobicContact CD1-CD1 3.71Å
1202K89Confident87.1Confident2 Ų232.4 Ų32.41%0.00918%0.177CC..EExtended strand (participates in β ladder)trans-142.6144178.2-162.1162.1176.7174.10111.6H1178 V1195 S1196 Y1200 W1204 Q1213 T1214H1178-K1202 VanDerWaalsContact CE1-CB 3.43Å; H1178-K1202 WeakPolarHBondContact CE1-CB 3.26Å; V1195-K1202 WeakPolarHBondContact CA-O 3.4Å; S1196-K1202 PolarHBondContact N-O 3.08Å; S1196-K1202 PolarHBondContact O-N 3.1Å; S1196-K1202 PolarHBondContact OG-O 3Å; Y1200-K1202 HydrophobicContact CE2-CD 4.2Å; K1202-W1204 HydrophobicContact CD-CH2 3.98Å; K1202-W1204 HydrophobicContact CD-CZ2 3.38Å; K1202-W1204 HydrophobicContact CG-CZ2 4.03Å; K1202-Q1213 WeakPolarHBondContact CA-O 3.15Å; K1202-T1214 HydrophobicContact CB-CG2 4.41Å; K1202-T1214 HydrophobicContact CD-CG2 3.61Å; K1202-T1214 HydrophobicContact CG-CG2 3.69Å
1203W91.7Very high86.9Confident0 Ų026.9 Ų26.90%015%0.153CC..EExtended strand (participates in β ladder)trans-112.5136.4176-70.3-102.9000109.5F591 L593 V1193 L1194 V1195 L1201 S1211 L1212 Q1213 F1215 Y1234 L1246F591-W1203 HydrophobicContact CD1-CG 4.37Å; F591-W1203 HydrophobicContact CE1-CB 4.3Å; F591-W1203 AromaticContact CE1-CD1 3.63Å; F591-W1203 AromaticContact CE1-CD2 3.76Å; F591-W1203 HydrophobicContact CE1-CD2 3.76Å; F591-W1203 AromaticContact CE1-CE2 3.88Å; F591-W1203 HydrophobicContact CE1-CE3 4.47Å; F591-W1203 AromaticContact CE1-CG 3.63Å; F591-W1203 HydrophobicContact CE1-CG 3.63Å; F591-W1203 AromaticContact CE1-NE1 3.74Å; F591-W1203 AromaticContact CZ-CD1 3.41Å; F591-W1203 VanDerWaalsContact CZ-CD1 3.41Å; F591-W1203 HydrophobicContact CZ-CD2 4.33Å; F591-W1203 AromaticContact CZ-CG 3.89Å; F591-W1203 HydrophobicContact CZ-CG 3.89Å; F591-W1203 AromaticContact CZ-NE1 3.57Å; L593-W1203 HydrophobicContact CD1-CD2 4.45Å; L593-W1203 HydrophobicContact CD1-CE3 4.07Å; L593-W1203 HydrophobicContact CD1-CH2 3.14Å; L593-W1203 HydrophobicContact CD1-CZ2 3.55Å; L593-W1203 HydrophobicContact CD1-CZ3 3.43Å; L593-W1203 VanDerWaalsContact CD1-CZ3 3.43Å; L593-W1203 HydrophobicContact CD2-CZ2 4.44Å; V1193-W1203 HydrophobicContact CG1-CB 4.26Å; L1194-W1203 CarbonylContact O-C 3.54Å; L1194-W1203 WeakPolarHBondContact O-CA 3.38Å; V1195-W1203 HydrophobicContact CB-CG 4.46Å; V1195-W1203 HydrophobicContact CG2-CD2 3.96Å; V1195-W1203 VanDerWaalsContact CG2-CE2 3.45Å; V1195-W1203 HydrophobicContact CG2-CG 4.28Å; V1195-W1203 HydrophobicContact CG2-CH2 4.36Å; V1195-W1203 HydrophobicContact CG2-CZ2 3.7Å; L1201-W1203 HydrophobicContact CB-CH2 3.58Å; L1201-W1203 HydrophobicContact CB-CZ3 3.61Å; L1201-W1203 HydrophobicContact CD1-CH2 3.9Å; L1201-W1203 HydrophobicContact CG-CH2 4.4Å; W1203-S1211 CarbonylContact O-C 3.46Å; W1203-S1211 WeakPolarHBondContact O-CA 3.28Å; W1203-L1212 HydrophobicContact CB-CB 4.28Å; W1203-L1212 PolarHBondContact O-N 2.87Å; W1203-Q1213 PolarHBondContact N-O 3.47Å; W1203-F1215 HydrophobicContact CH2-CB 4.21Å; W1203-F1215 HydrophobicContact CZ3-CB 3.74Å; W1203-Y1234 HydrophobicContact CZ2-CD1 4.07Å; W1203-Y1234 HydrophobicContact CZ2-CD2 4.2Å; W1203-Y1234 HydrophobicContact CZ2-CE1 4.16Å; W1203-Y1234 HydrophobicContact CZ2-CE2 4.31Å; W1203-Y1234 HydrophobicContact CZ2-CG 4.1Å; W1203-Y1234 AromaticContact NE1-CE1 3.46Å; W1203-Y1234 AromaticContact NE1-CZ 3.42Å; W1203-Y1234 PolarHBondContact NE1-OH 2.79Å; W1203-L1246 HydrophobicContact CH2-CD1 4.39Å
1204W89.9Confident86.7Confident3 Ų326.7 Ų26.71%0.01115%0.152CC..EExtended strand (participates in β ladder)trans-123.2139.1-172.2-62.798.2000110.3I1152 C1166 H1178 V1193 L1194 S1196 K1202 G1209 E1210I1152-W1204 HydrophobicContact CD1-CZ2 4.46Å; C1166-W1204 HydrophobicContact CB-CD2 4Å; C1166-W1204 HydrophobicContact CB-CE3 3.78Å; C1166-W1204 HydrophobicContact CB-CH2 4.28Å; C1166-W1204 HydrophobicContact CB-CZ2 4.47Å; C1166-W1204 HydrophobicContact CB-CZ3 3.95Å; C1166-W1204 WeakPolarHBondContact O-CH2 3.19Å; H1178-W1204 AromaticContact CD2-CZ2 3.89Å; H1178-W1204 AromaticContact CE1-NE1 3.97Å; H1178-W1204 AromaticContact NE2-CE2 3.57Å; H1178-W1204 AromaticContact NE2-CZ2 3.15Å; H1178-W1204 WeakPolarHBondContact NE2-CZ2 3.34Å; H1178-W1204 AromaticContact NE2-NE1 3.45Å; H1178-W1204 PolarHBondContact NE2-NE1 3.19Å; V1193-W1204 CarbonylContact C-O 3.49Å; V1193-W1204 VanDerWaalsContact CA-O 3.29Å; V1193-W1204 WeakPolarHBondContact CA-O 3.38Å; L1194-W1204 HydrophobicContact CB-CB 4.21Å; L1194-W1204 PolarHBondContact N-O 3.08Å; L1194-W1204 PolarHBondContact O-N 2.63Å; S1196-W1204 PolarHBondContact OG-NE1 3.19Å; K1202-W1204 HydrophobicContact CD-CH2 3.98Å; K1202-W1204 HydrophobicContact CD-CZ2 3.38Å; K1202-W1204 HydrophobicContact CG-CZ2 4.03Å; W1204-G1209 WeakPolarHBondContact CZ3-O 3.45Å; W1204-E1210 WeakPolarHBondContact CA-O 3.5Å
1205N89.8Confident86.4Confident41 Ų4126.7 Ų26.722%0.21915%0.152CC..EExtended strand (participates in β ladder)trans-80.8116.4164.7-176.3-21.5000108.6T1207 T1208 G1209 E1210 L1212N1205-T1207 PolarHBondContact O-N 2.86Å; N1205-T1207 PolarHBondContact OD1-N 2.8Å; N1205-T1207 PolarHBondContact OD1-OG1 2.9Å; N1205-T1208 WeakPolarHBondContact CB-OG1 3.31Å; N1205-T1208 PolarHBondContact O-N 3.41Å; N1205-G1209 WeakPolarHBondContact O-CA 3.42Å; N1205-G1209 PolarHBondContact O-N 3Å; N1205-E1210 PolarHBondContact N-O 3.15Å; N1205-L1212 HydrophobicContact CB-CD1 4.36Å; N1205-L1212 HydrophobicContact CB-CD2 4.12Å; N1205-L1212 HydrophobicContact CB-CG 4.13Å
1206V88.2Confident85.9Confident6 Ų628.8 Ų28.84%0.03616%0.161CC..THydrogen-bonded Turntrans-66.9-26.1-174.8178.50000112.3L1142 I1154 H1164 F1187 K1192 L1194L1142-V1206 HydrophobicContact CD1-CG1 3.39Å; I1154-V1206 HydrophobicContact CG2-CG1 4.21Å; H1164-V1206 PolarHBondContact CD2-O 3.47Å; H1164-V1206 VanDerWaalsContact CD2-O 3.3Å; F1187-V1206 HydrophobicContact CD1-CG2 4.05Å; F1187-V1206 HydrophobicContact CE1-CG1 4.05Å; F1187-V1206 HydrophobicContact CE1-CG2 3.69Å; K1192-V1206 WeakPolarHBondContact O-CB 3.46Å; K1192-V1206 VanDerWaalsContact O-CG2 3.29Å; K1192-V1206 WeakPolarHBondContact O-CG2 3.13Å; K1192-V1206 PolarHBondContact O-N 3.43Å; L1194-V1206 HydrophobicContact CB-CG2 3.83Å
1207T85.8Confident85.3Confident92 Ų9229.6 Ų29.656%0.56417%0.166SC*.THydrogen-bonded Turntrans-85.4-29-17760.50000114.2H1164 N1205H1164-T1207 PolarHBondContact CE1-O 3.27Å; H1164-T1207 PolarHBondContact NE2-O 3.08Å; H1164-T1207 VanDerWaalsContact NE2-O 3.15Å; N1205-T1207 PolarHBondContact O-N 2.86Å; N1205-T1207 PolarHBondContact OD1-N 2.8Å; N1205-T1207 PolarHBondContact OD1-OG1 2.9Å
1208T82.8Confident84.4Confident67 Ų6734.8 Ų34.841%0.41119%0.193SC..THydrogen-bonded Turntrans-105-23.5179.960.50000112.3N1205 E1210N1205-T1208 WeakPolarHBondContact CB-OG1 3.31Å; N1205-T1208 PolarHBondContact O-N 3.41Å; T1208-E1210 WeakPolarHBondContact OG1-CB 3.49Å; T1208-E1210 PolarHBondContact OG1-N 2.85Å
1209G78.4Confident83.6Confident9 Ų934.8 Ų34.89%0.09319%0.193CC..  trans77.44.9-170.300000113.5W1204 N1205W1204-G1209 WeakPolarHBondContact CZ3-O 3.45Å; N1205-G1209 WeakPolarHBondContact O-CA 3.42Å; N1205-G1209 PolarHBondContact O-N 3Å
1210E82.9Confident83Confident131 Ų13138.3 Ų38.361%0.61221%0.213SC*.  trans-85.2151.8-178.8-64.6175.1158.200111.9W1204 N1205 T1208W1204-E1210 WeakPolarHBondContact CA-O 3.5Å; N1205-E1210 PolarHBondContact N-O 3.15Å; T1208-E1210 WeakPolarHBondContact OG1-CB 3.49Å; T1208-E1210 PolarHBondContact OG1-N 2.85Å
1211S84.8Confident82.5Confident60 Ų6041.7 Ų41.742%0.4223%0.233SC..EExtended strand (participates in β ladder)trans-80.1127.7175.9610000111.6W1203W1203-S1211 CarbonylContact O-C 3.46Å; W1203-S1211 WeakPolarHBondContact O-CA 3.28Å
1212L85.2Confident82.1Confident75 Ų7541.8 Ų41.839%0.39323%0.234SC..EExtended strand (participates in β ladder)trans-82.4-45.2175.6-67.2172.7000112V1193 W1203 N1205V1193-L1212 HydrophobicContact CG1-CD1 4.05Å; V1193-L1212 HydrophobicContact CG2-CD1 3.91Å; W1203-L1212 HydrophobicContact CB-CB 4.28Å; W1203-L1212 PolarHBondContact O-N 2.87Å; N1205-L1212 HydrophobicContact CB-CD1 4.36Å; N1205-L1212 HydrophobicContact CB-CD2 4.12Å; N1205-L1212 HydrophobicContact CB-CG 4.13Å
1213Q86.9Confident81.6Confident12 Ų1246.9 Ų46.96%0.05626%0.256CS..EExtended strand (participates in β ladder)trans-156.5149.4-179.7-172.858-68.100111.2D562 Q565 F591 K1202 W1203D562-Q1213 PolarHBondContact OD2-NE2 2.79Å; Q565-Q1213 HydrophobicContact CG-CG 4.45Å; F591-Q1213 HydrophobicContact CB-CB 4.44Å; F591-Q1213 HydrophobicContact CD1-CB 3.88Å; F591-Q1213 HydrophobicContact CD1-CG 4.43Å; F591-Q1213 VanDerWaalsContact O-CG 3.29Å; F591-Q1213 WeakPolarHBondContact O-CG 3.13Å; F591-Q1213 PolarHBondContact O-NE2 3.42Å; K1202-Q1213 WeakPolarHBondContact CA-O 3.15Å; W1203-Q1213 PolarHBondContact N-O 3.47Å
1214T86.1Confident81.3Confident19 Ų1948 Ų4812%0.11726%0.264CS..EExtended strand (participates in β ladder)trans-118.7129.7171.342.10000110.4Y1200 K1202Y1200-T1214 HydrophobicContact CE2-CG2 4.23Å; K1202-T1214 HydrophobicContact CB-CG2 4.41Å; K1202-T1214 HydrophobicContact CD-CG2 3.61Å; K1202-T1214 HydrophobicContact CG-CG2 3.69Å
1215F88.6Confident81.4Confident2 Ų248.2 Ų48.21%0.00927%0.265CS..EExtended strand (participates in β ladder)trans-115.2110.2173.1-175.8-83.5000109.2Q565 C569 L593 Y1200 L1201 W1203 T1217 Y1244 L1246Q565-F1215 HydrophobicContact CG-CD2 4.23Å; C569-F1215 WeakPolarHBondContact SG-CE2 3.27Å; L593-F1215 HydrophobicContact CB-CD2 4.49Å; L593-F1215 HydrophobicContact CD1-CB 4.25Å; L593-F1215 HydrophobicContact CD1-CD2 4.31Å; Y1200-F1215 WeakPolarHBondContact CB-O 3.37Å; L1201-F1215 HydrophobicContact CB-CB 4.24Å; L1201-F1215 PolarHBondContact N-O 3.2Å; L1201-F1215 PolarHBondContact O-N 3.11Å; W1203-F1215 HydrophobicContact CH2-CB 4.21Å; W1203-F1215 HydrophobicContact CZ3-CB 3.74Å; F1215-T1217 HydrophobicContact CD1-CG2 4.13Å; F1215-T1217 HydrophobicContact CE1-CG2 4.08Å; F1215-Y1244 HydrophobicContact CE1-CD1 4.09Å; F1215-Y1244 HydrophobicContact CE1-CE1 4.34Å; F1215-Y1244 HydrophobicContact CZ-CD1 4.39Å; F1215-L1246 HydrophobicContact CD1-CD1 3.93Å; F1215-L1246 HydrophobicContact CD2-CD1 4.25Å; F1215-L1246 HydrophobicContact CD2-CD2 4.48Å; F1215-L1246 HydrophobicContact CE1-CD1 4Å; F1215-L1246 HydrophobicContact CE1-CD2 4.02Å; F1215-L1246 HydrophobicContact CE2-CD1 4.31Å; F1215-L1246 HydrophobicContact CE2-CD2 3.77Å; F1215-L1246 HydrophobicContact CG-CD1 4.07Å; F1215-L1246 HydrophobicContact CZ-CD1 4.21Å; F1215-L1246 HydrophobicContact CZ-CD2 3.52Å
1216Y82.5Confident81.5Confident44 Ų4450.4 Ų50.417%0.17327%0.27CS..  trans-81.1120.9177.9-65.2-84.1000110.1L554 P561 L566 Y1200L554-Y1216 HydrophobicContact CD1-CD1 4.31Å; L554-Y1216 HydrophobicContact CD1-CD2 4.15Å; L554-Y1216 HydrophobicContact CD1-CG 3.85Å; L554-Y1216 HydrophobicContact CD2-CD1 3.81Å; L554-Y1216 HydrophobicContact CD2-CE1 4.04Å; L554-Y1216 HydrophobicContact CD2-CG 4.21Å; P561-Y1216 HydrophobicContact CB-CD2 4.29Å; P561-Y1216 HydrophobicContact CB-CE2 3.59Å; L566-Y1216 HydrophobicContact CD2-CD2 4.2Å; Y1200-Y1216 HydrophobicContact CD1-CD1 4.01Å; Y1200-Y1216 AromaticContact CD1-CE1 3.93Å; Y1200-Y1216 HydrophobicContact CD1-CE1 3.93Å; Y1200-Y1216 HydrophobicContact CE1-CE1 4.02Å; Y1200-Y1216 HydrophobicContact CG-CD1 4.15Å; Y1200-Y1216 HydrophobicContact CG-CE1 4.24Å
1217T78Confident81.6Confident17 Ų1751.3 Ų51.310%0.10428%0.276CS..  trans-83.1158.4171.246.20000110.3F1215 G1219 L1222 Y1244F1215-T1217 HydrophobicContact CD1-CG2 4.13Å; F1215-T1217 HydrophobicContact CE1-CG2 4.08Å; T1217-G1219 CarbonylContact C-O 3.56Å; T1217-G1219 WeakPolarHBondContact CB-O 3.49Å; T1217-G1219 PolarHBondContact OG1-O 3.23Å; T1217-L1222 HydrophobicContact CG2-CD1 4.17Å; T1217-L1222 HydrophobicContact CG2-CD2 4.11Å; T1217-Y1244 HydrophobicContact CG2-CD2 4.08Å; T1217-Y1244 HydrophobicContact CG2-CE1 4.43Å; T1217-Y1244 HydrophobicContact CG2-CE2 3.84Å; T1217-Y1244 HydrophobicContact CG2-CG 4.46Å
1218N71.4Confident81.9Confident110 Ų11047.3 Ų47.359%0.58825%0.251SS*.SBendtrans-70.2-37.5177.5-66.4-21.7000110.8L1240 I1242 Y1244N1218-L1240 HydrophobicContact CB-CD1 4.21Å; N1218-I1242 HydrophobicContact CB-CD1 4.11Å; N1218-Y1244 WeakPolarHBondContact CB-OH 3.14Å; N1218-Y1244 PolarHBondContact N-OH 3.01Å
1219G64.6Low82Confident4 Ų449.1 Ų49.14%0.04126%0.264CS..SBendtrans-83.7163.3167.200000113.1T1217 D1238 N1239T1217-G1219 CarbonylContact C-O 3.56Å; T1217-G1219 WeakPolarHBondContact CB-O 3.49Å; T1217-G1219 PolarHBondContact OG1-O 3.23Å; G1219-D1238 WeakPolarHBondContact CA-OD2 3.27Å; G1219-D1238 PolarHBondContact N-OD2 3.12Å; G1219-N1239 VanDerWaalsContact CA-OD1 3.25Å; G1219-N1239 WeakPolarHBondContact CA-OD1 3.28Å
1220T63.4Low82.4Confident82 Ų8252 Ų5250%0.50328%0.277SS..SBendtrans-99.1-33.3-176.752.80000113.6G1199 N1239G1199-T1220 CarbonylContact C-O 3.54Å; G1199-T1220 VanDerWaalsContact C-O 3.26Å; G1199-T1220 WeakPolarHBondContact CA-O 3.41Å; T1220-N1239 PolarHBondContact N-OD1 3.33Å; T1220-N1239 VanDerWaalsContact N-OD1 3.16Å; T1220-N1239 PolarHBondContact OG1-ND2 3.24Å
1221N71.5Confident82.7Confident98 Ų9846.7 Ų46.752%0.52425%0.252SS..  trans-105.7107.2-172.1-68.1-6.3000110.5N1239N1221-N1239 HydrophobicContact CB-CB 4.02Å; N1221-N1239 PolarHBondContact N-OD1 3.46Å; N1221-N1239 PolarHBondContact O-N 3.07Å; N1221-N1239 VanDerWaalsContact O-N 3.12Å
1222L81.6Confident82.9Confident4 Ų449.4 Ų49.42%0.02126%0.256CS..  trans-95.8130.2172.8-57.2177.6000110.2T1183 G1198 L1201 T1217 T1236 D1238T1183-L1222 WeakPolarHBondContact CB-O 3.16Å; T1183-L1222 VanDerWaalsContact CG2-O 3.23Å; T1183-L1222 WeakPolarHBondContact CG2-O 3.41Å; T1183-L1222 PolarHBondContact OG1-O 2.84Å; G1198-L1222 WeakPolarHBondContact O-CB 3.47Å; G1198-L1222 PolarHBondContact O-N 3.47Å; G1198-L1222 VanDerWaalsContact O-N 3.1Å; L1201-L1222 HydrophobicContact CD2-CD1 3.53Å; L1201-L1222 HydrophobicContact CG-CD1 3.76Å; T1217-L1222 HydrophobicContact CG2-CD1 4.17Å; T1217-L1222 HydrophobicContact CG2-CD2 4.11Å; L1222-T1236 HydrophobicContact CD2-CG2 4.37Å; L1222-D1238 HydrophobicContact CD2-CB 3.79Å
1223K80Confident83.2Confident109 Ų10946.5 Ų46.547%0.47424%0.242SC..  trans-87.5-46.2-178.8-172177.8178.4-174.50113.3E923 T1183E923-K1223 WeakPolarHBondContact OE2-CE 3.2Å; E923-K1223 IonicContact OE2-NZ 2.61Å; E923-K1223 PolarHBondContact OE2-NZ 2.57Å; T1183-K1223 WeakPolarHBondContact CB-O 3.44Å; T1183-K1223 PolarHBondContact OG1-O 2.85Å
1224S84.8Confident83.4Confident24 Ų2446 Ų4617%0.16824%0.239CC..  trans-153154.1-17659.90000111.1T1236S1224-T1236 PolarHBondContact O-OG1 2.59Å
1225I91.4Very high83.7Confident7 Ų745 Ų454%0.03623%0.234CC..  trans-120.5124.3173.5-176.9169000110.3D1184 V1195 L1201 V1227 Y1234D1184-I1225 HydrophobicContact CB-CG2 4.26Å; D1184-I1225 PolarHBondContact OD2-N 3.08Å; D1184-I1225 VanDerWaalsContact OD2-N 3.13Å; V1195-I1225 HydrophobicContact CG1-CD1 4.17Å; V1195-I1225 HydrophobicContact CG2-CD1 3.64Å; L1201-I1225 HydrophobicContact CD1-CD1 4.08Å; L1201-I1225 HydrophobicContact CD2-CD1 3.79Å; I1225-V1227 HydrophobicContact CD1-CG2 4.43Å; I1225-V1227 HydrophobicContact CG1-CG2 4.1Å; I1225-Y1234 HydrophobicContact CD1-CD1 4.07Å
1226R91.6Very high83.9Confident86 Ų8645 Ų4533%0.32523%0.234SC..EExtended strand (participates in β ladder)trans-97.8123.4173.6-60.3-56.9-170.5124.510.7109.2L924 D925 V926 F928 Y1234 V1235L924-R1226 HydrophobicContact CD1-CG 4.18Å; D925-R1226 IonicContact OD1-CZ 3.45Å; D925-R1226 IonicContact OD1-NH1 3.68Å; D925-R1226 IonicContact OD1-NH2 3.49Å; D925-R1226 PolarHBondContact OD1-NH2 3.48Å; V926-R1226 HydrophobicContact CB-CB 4.11Å; V926-R1226 HydrophobicContact CB-CG 4.24Å; V926-R1226 HydrophobicContact CG2-CB 4.03Å; V926-R1226 HydrophobicContact CG2-CG 3.97Å; F928-R1226 HydrophobicContact CE2-CB 4.45Å; F928-R1226 HydrophobicContact CZ-CB 4.42Å; R1226-Y1234 CarbonylContact O-C 3.54Å; R1226-Y1234 WeakPolarHBondContact O-CA 3.12Å; R1226-V1235 HydrophobicContact CB-CB 4.42Å; R1226-V1235 PolarHBondContact N-O 3.18Å; R1226-V1235 PolarHBondContact O-N 3.28Å
1227V91.8Very high84Confident26 Ų2643 Ų4316%0.15823%0.226CC..EExtended strand (participates in β ladder)trans-113.5137.9-176-168.40000110F928 V1195 I1225 F1231 Y1234F928-V1227 WeakPolarHBondContact CE2-O 3.34Å; V1195-V1227 HydrophobicContact CG1-CG2 3.88Å; I1225-V1227 HydrophobicContact CD1-CG2 4.43Å; I1225-V1227 HydrophobicContact CG1-CG2 4.1Å; V1227-F1231 HydrophobicContact CG1-CD2 3.4Å; V1227-F1231 VanDerWaalsContact CG1-CD2 3.4Å; V1227-F1231 HydrophobicContact CG1-CE2 3.68Å; V1227-F1231 HydrophobicContact CG1-CG 4.21Å; V1227-Y1234 HydrophobicContact CB-CD1 4.33Å; V1227-Y1234 HydrophobicContact CG1-CD1 3.73Å; V1227-Y1234 HydrophobicContact CG1-CE1 3.58Å; V1227-Y1234 HydrophobicContact CG2-CD1 3.95Å; V1227-Y1234 HydrophobicContact CG2-CE1 4.33Å
1228S90.9Very high84Confident8 Ų842.3 Ų42.36%0.05622%0.222CC..  trans-68.6151.7176.567.60000111.8N1230 F1231 K1232 V1233S1228-N1230 WeakPolarHBondContact CB-OD1 3.45Å; S1228-N1230 PolarHBondContact O-N 2.63Å; S1228-N1230 VanDerWaalsContact O-N 3.11Å; S1228-N1230 PolarHBondContact OG-OD1 3.42Å; S1228-F1231 WeakPolarHBondContact O-CA 3.28Å; S1228-F1231 PolarHBondContact O-N 2.97Å; S1228-F1231 PolarHBondContact OG-N 3.16Å; S1228-K1232 PolarHBondContact OG-N 2.94Å; S1228-V1233 WeakPolarHBondContact CB-O 3.26Å; S1228-V1233 PolarHBondContact N-O 3.46Å; S1228-V1233 PolarHBondContact OG-N 3.3Å; S1228-V1233 PolarHBondContact OG-O 2.68Å
1229P85.4Confident83.9Confident104 Ų10440.7 Ų40.768%0.67521%0.213SC*.THydrogen-bonded Turntrans-59.4-26.6179.7-26.234.7000114.5P1189 F1231P1189-P1229 VanDerWaalsContact CG-O 3.23Å; P1189-P1229 WeakPolarHBondContact CG-O 3.32Å; P1229-F1231 VanDerWaalsContact C-N 3.34Å
1230N86.8Confident83.9Confident70 Ų7041.9 Ų41.937%0.37422%0.218SC..THydrogen-bonded Turntrans-88.2117664.75.4000113.5S1228 K1232S1228-N1230 WeakPolarHBondContact CB-OD1 3.45Å; S1228-N1230 PolarHBondContact O-N 2.63Å; S1228-N1230 VanDerWaalsContact O-N 3.11Å; S1228-N1230 PolarHBondContact OG-OD1 3.42Å; N1230-K1232 PolarHBondContact O-N 2.94Å; N1230-K1232 WeakPolarHBondContact OD1-CB 3.46Å; N1230-K1232 PolarHBondContact OD1-N 3.11Å
1231F89.2Confident84.2Confident19 Ų1938.4 Ų38.48%0.08320%0.198CC..SBendtrans57.430.2179.9-146.4-103.7000114.4F1187 S1188 P1189 V1193 V1195 V1227 S1228 P1229 Y1234F1187-F1231 WeakPolarHBondContact O-CE2 3.45Å; S1188-F1231 VanDerWaalsContact CA-CD2 3.47Å; S1188-F1231 VanDerWaalsContact CA-CE2 3.45Å; P1189-F1231 HydrophobicContact CG-CB 4.25Å; V1193-F1231 HydrophobicContact CB-CE1 4.08Å; V1193-F1231 HydrophobicContact CG1-CE1 3.87Å; V1193-F1231 HydrophobicContact CG1-CZ 4.38Å; V1195-F1231 HydrophobicContact CB-CZ 4.27Å; V1195-F1231 HydrophobicContact CG1-CE2 4.32Å; V1195-F1231 HydrophobicContact CG1-CZ 4.11Å; V1227-F1231 HydrophobicContact CG1-CD2 3.4Å; V1227-F1231 VanDerWaalsContact CG1-CD2 3.4Å; V1227-F1231 HydrophobicContact CG1-CE2 3.68Å; V1227-F1231 HydrophobicContact CG1-CG 4.21Å; S1228-F1231 WeakPolarHBondContact O-CA 3.28Å; S1228-F1231 PolarHBondContact O-N 2.97Å; S1228-F1231 PolarHBondContact OG-N 3.16Å; P1229-F1231 VanDerWaalsContact C-N 3.34Å; F1231-Y1234 HydrophobicContact CD1-CE1 4.43Å; F1231-Y1234 WeakPolarHBondContact CD1-OH 3.44Å; F1231-Y1234 HydrophobicContact CE1-CE1 4.19Å; F1231-Y1234 WeakPolarHBondContact CE1-OH 3.33Å; F1231-Y1234 HydrophobicContact CE2-CE1 4.33Å; F1231-Y1234 HydrophobicContact CZ-CE1 4.15Å; F1231-Y1234 PolarHBondContact O-OH 2.88Å
1232K88.4Confident84.5Confident117 Ų11734.8 Ų34.851%0.50918%0.179SC..  trans-105.1-28.3178.1-67-170.2177.3-173.40113.5S1228 N1230 Q1247 K1248S1228-K1232 PolarHBondContact OG-N 2.94Å; N1230-K1232 PolarHBondContact O-N 2.94Å; N1230-K1232 WeakPolarHBondContact OD1-CB 3.46Å; N1230-K1232 PolarHBondContact OD1-N 3.11Å; K1232-Q1247 CarbonylContact O-C 3.57Å; K1232-Q1247 WeakPolarHBondContact O-CA 3.09Å; K1232-K1248 PolarHBondContact O-N 3.1Å
1233V91.4Very high84.7Confident14 Ų1435 Ų359%0.08518%0.18CC..EExtended strand (participates in β ladder)trans-121.2136.4-176.2-175.80000109.8F928 V933 S1228 V1245 L1246 Q1247F928-V1233 HydrophobicContact CE1-CB 4.37Å; F928-V1233 HydrophobicContact CE1-CG1 4.22Å; V933-V1233 HydrophobicContact CG2-CG1 3.9Å; S1228-V1233 WeakPolarHBondContact CB-O 3.26Å; S1228-V1233 PolarHBondContact N-O 3.46Å; S1228-V1233 PolarHBondContact OG-N 3.3Å; S1228-V1233 PolarHBondContact OG-O 2.68Å; V1233-V1245 HydrophobicContact CG1-CG1 4.16Å; V1233-L1246 CarbonylContact C-O 3.56Å; V1233-L1246 VanDerWaalsContact CA-O 3.28Å; V1233-L1246 WeakPolarHBondContact CA-O 3.44Å; V1233-Q1247 HydrophobicContact CG2-CG 4.32Å
1234Y92.8Very high85Confident1 Ų130 Ų300%0.00416%0.158CC..EExtended strand (participates in β ladder)trans-127.8134.8-178.9-49.2-95.2000108.7L593 V1195 W1203 I1225 R1226 V1227 F1231 L1246L593-Y1234 HydrophobicContact CD2-CD2 4.14Å; L593-Y1234 HydrophobicContact CD2-CE2 3.95Å; V1195-Y1234 HydrophobicContact CG1-CE1 4.39Å; W1203-Y1234 HydrophobicContact CZ2-CD1 4.07Å; W1203-Y1234 HydrophobicContact CZ2-CD2 4.2Å; W1203-Y1234 HydrophobicContact CZ2-CE1 4.16Å; W1203-Y1234 HydrophobicContact CZ2-CE2 4.31Å; W1203-Y1234 HydrophobicContact CZ2-CG 4.1Å; W1203-Y1234 AromaticContact NE1-CE1 3.46Å; W1203-Y1234 AromaticContact NE1-CZ 3.42Å; W1203-Y1234 PolarHBondContact NE1-OH 2.79Å; I1225-Y1234 HydrophobicContact CD1-CD1 4.07Å; R1226-Y1234 CarbonylContact O-C 3.54Å; R1226-Y1234 WeakPolarHBondContact O-CA 3.12Å; V1227-Y1234 HydrophobicContact CB-CD1 4.33Å; V1227-Y1234 HydrophobicContact CG1-CD1 3.73Å; V1227-Y1234 HydrophobicContact CG1-CE1 3.58Å; V1227-Y1234 HydrophobicContact CG2-CD1 3.95Å; V1227-Y1234 HydrophobicContact CG2-CE1 4.33Å; F1231-Y1234 HydrophobicContact CD1-CE1 4.43Å; F1231-Y1234 WeakPolarHBondContact CD1-OH 3.44Å; F1231-Y1234 HydrophobicContact CE1-CE1 4.19Å; F1231-Y1234 WeakPolarHBondContact CE1-OH 3.33Å; F1231-Y1234 HydrophobicContact CE2-CE1 4.33Å; F1231-Y1234 HydrophobicContact CZ-CE1 4.15Å; F1231-Y1234 PolarHBondContact O-OH 2.88Å; Y1234-L1246 HydrophobicContact CD2-CB 4.47Å; Y1234-L1246 PolarHBondContact N-O 2.87Å; Y1234-L1246 PolarHBondContact O-N 3.42Å
1235V92.1Very high85.3Confident0 Ų028.8 Ų28.80%015%0.15CC..EExtended strand (participates in β ladder)trans-125.8127.2178.7-176.50000109.4L924 V926 F928 V933 I935 R1226 L1243 Y1244 V1245L924-V1235 HydrophobicContact CD1-CG1 4.37Å; V926-V1235 HydrophobicContact CG1-CG2 4.19Å; V926-V1235 HydrophobicContact CG2-CB 4.06Å; V926-V1235 HydrophobicContact CG2-CG1 3.8Å; F928-V1235 HydrophobicContact CE1-CG2 4.21Å; F928-V1235 HydrophobicContact CZ-CG2 4.26Å; V933-V1235 HydrophobicContact CG1-CG2 3.83Å; I935-V1235 HydrophobicContact CD1-CG1 3.83Å; I935-V1235 HydrophobicContact CD1-CG2 4.28Å; I935-V1235 HydrophobicContact CG1-CG1 4.29Å; R1226-V1235 HydrophobicContact CB-CB 4.42Å; R1226-V1235 PolarHBondContact N-O 3.18Å; R1226-V1235 PolarHBondContact O-N 3.28Å; V1235-L1243 HydrophobicContact CG1-CD1 3.85Å; V1235-Y1244 VanDerWaalsContact CA-O 3.31Å; V1235-Y1244 WeakPolarHBondContact CA-O 3.47Å; V1235-V1245 HydrophobicContact CG2-CG1 4.38Å; V1235-V1245 HydrophobicContact CG2-CG2 4.49Å
1236T91Very high85.3Confident1 Ų128.5 Ų28.51%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-148.4164.9173.6-165.10000111L1201 L1222 S1224 Y1244L1201-T1236 HydrophobicContact CD1-CG2 3.92Å; L1222-T1236 HydrophobicContact CD2-CG2 4.37Å; S1224-T1236 PolarHBondContact O-OG1 2.59Å; T1236-Y1244 HydrophobicContact CG2-CD2 4.17Å; T1236-Y1244 HydrophobicContact CG2-CG 4.4Å; T1236-Y1244 PolarHBondContact N-O 3.45Å; T1236-Y1244 PolarHBondContact O-N 3.23Å
1237V86.4Confident85.2Confident3 Ų328.6 Ų28.62%0.01815%0.153CC..EExtended strand (participates in β ladder)trans-131.8135.5172.6168.20000108.3L924 I1242 L1243L924-V1237 HydrophobicContact CD2-CB 3.63Å; L924-V1237 HydrophobicContact CD2-CG2 3.15Å; V1237-I1242 VanDerWaalsContact CA-O 3.31Å; V1237-I1242 WeakPolarHBondContact CA-O 3.29Å; V1237-L1243 HydrophobicContact CG2-CB 4.18Å; V1237-L1243 HydrophobicContact CG2-CD1 3.57Å
1238D76.4Confident85.1Confident1 Ų131.4 Ų31.41%0.00516%0.163CC..  trans-83.5175.1174.969.26.9000112.9G1219 L1222 L1240 G1241 I1242 Y1244G1219-D1238 WeakPolarHBondContact CA-OD2 3.27Å; G1219-D1238 PolarHBondContact N-OD2 3.12Å; L1222-D1238 HydrophobicContact CD2-CB 3.79Å; D1238-L1240 PolarHBondContact O-N 3.41Å; D1238-L1240 VanDerWaalsContact O-N 3.08Å; D1238-L1240 VanDerWaalsContact OD1-CA 3.28Å; D1238-L1240 WeakPolarHBondContact OD1-CA 3.33Å; D1238-L1240 VanDerWaalsContact OD1-CB 3.23Å; D1238-L1240 WeakPolarHBondContact OD1-CB 3.38Å; D1238-L1240 PolarHBondContact OD1-N 3.48Å; D1238-L1240 WeakPolarHBondContact OD2-CG 3.28Å; D1238-G1241 PolarHBondContact O-N 2.96Å; D1238-G1241 PolarHBondContact OD1-N 3.07Å; D1238-I1242 PolarHBondContact N-O 2.67Å; D1238-I1242 PolarHBondContact OD1-N 3.14Å; D1238-Y1244 HydrophobicContact CB-CE2 3.97Å; D1238-Y1244 PolarHBondContact OD2-OH 3.33Å
1239N69.6Low84.7Confident76 Ų7636.8 Ų36.841%0.40619%0.189SC..THydrogen-bonded Turntrans-63.6-7.9173.358-19000114.1G1219 T1220 N1221G1219-N1239 VanDerWaalsContact CA-OD1 3.25Å; G1219-N1239 WeakPolarHBondContact CA-OD1 3.28Å; T1220-N1239 PolarHBondContact N-OD1 3.33Å; T1220-N1239 VanDerWaalsContact N-OD1 3.16Å; T1220-N1239 PolarHBondContact OG1-ND2 3.24Å; N1221-N1239 HydrophobicContact CB-CB 4.02Å; N1221-N1239 PolarHBondContact N-OD1 3.46Å; N1221-N1239 PolarHBondContact O-N 3.07Å; N1221-N1239 VanDerWaalsContact O-N 3.12Å
1240L64.8Low84.6Confident30 Ų3033.5 Ų33.516%0.15716%0.164CC..THydrogen-bonded Turntrans-91.2-7.5176.1-41.3-167.5000111.6R877 N1218 D1238 I1242R877-L1240 VanDerWaalsContact CZ-CD2 3.44Å; N1218-L1240 HydrophobicContact CB-CD1 4.21Å; D1238-L1240 PolarHBondContact O-N 3.41Å; D1238-L1240 VanDerWaalsContact O-N 3.08Å; D1238-L1240 VanDerWaalsContact OD1-CA 3.28Å; D1238-L1240 WeakPolarHBondContact OD1-CA 3.33Å; D1238-L1240 VanDerWaalsContact OD1-CB 3.23Å; D1238-L1240 WeakPolarHBondContact OD1-CB 3.38Å; D1238-L1240 PolarHBondContact OD1-N 3.48Å; D1238-L1240 WeakPolarHBondContact OD2-CG 3.28Å; L1240-I1242 VanDerWaalsContact C-N 3.32Å; L1240-I1242 HydrophobicContact CB-CD1 4.18Å; L1240-I1242 HydrophobicContact CB-CG1 4.12Å; L1240-I1242 HydrophobicContact CD1-CD1 4.19Å
1241G70.7Confident84.5Confident8 Ų831.5 Ų31.58%0.08215%0.153CC..  trans77.518.2-175.200000113.6L920 D1238L920-G1241 WeakPolarHBondContact CB-O 3.29Å; L920-G1241 WeakPolarHBondContact O-CA 3.36Å; D1238-G1241 PolarHBondContact O-N 2.96Å; D1238-G1241 PolarHBondContact OD1-N 3.07Å
1242I77.4Confident84.3Confident22 Ų2232.2 Ų32.211%0.11316%0.157CC..  trans-82.1123.5175.2-60.6173.1000108.4W595 M601 N1218 V1237 D1238 L1240 Y1244W595-I1242 HydrophobicContact CH2-CG2 4.42Å; W595-I1242 HydrophobicContact CZ2-CG2 4.06Å; M601-I1242 HydrophobicContact CE-CD1 3.84Å; M601-I1242 HydrophobicContact CE-CG1 3.86Å; M601-I1242 HydrophobicContact CE-CG2 4.02Å; M601-I1242 HydrophobicContact SD-CG2 4.22Å; N1218-I1242 HydrophobicContact CB-CD1 4.11Å; V1237-I1242 VanDerWaalsContact CA-O 3.31Å; V1237-I1242 WeakPolarHBondContact CA-O 3.29Å; D1238-I1242 PolarHBondContact N-O 2.67Å; D1238-I1242 PolarHBondContact OD1-N 3.14Å; L1240-I1242 VanDerWaalsContact C-N 3.32Å; L1240-I1242 HydrophobicContact CB-CD1 4.18Å; L1240-I1242 HydrophobicContact CB-CG1 4.12Å; L1240-I1242 HydrophobicContact CD1-CD1 4.19Å; I1242-Y1244 HydrophobicContact CB-CE2 3.92Å; I1242-Y1244 HydrophobicContact CG2-CD2 4.37Å; I1242-Y1244 HydrophobicContact CG2-CE1 4.04Å; I1242-Y1244 HydrophobicContact CG2-CE2 3.81Å; I1242-Y1244 WeakPolarHBondContact O-CD2 3.44Å; I1242-Y1244 WeakPolarHBondContact O-CE2 3.34Å
1243L84.8Confident84Confident10 Ų1027.2 Ų27.25%0.05214%0.136CC..EExtended strand (participates in β ladder)trans-80.4123.8173.8-177.263.6000110.7N597 L920 L924 I935 I947 V1235 V1237 V1245N597-L1243 PolarHBondContact ND2-O 2.71Å; N597-L1243 PolarHBondContact OD1-O 3.25Å; L920-L1243 HydrophobicContact CD1-CB 3.88Å; L920-L1243 HydrophobicContact CD1-CD2 4.4Å; L924-L1243 HydrophobicContact CD2-CD1 4.4Å; I935-L1243 HydrophobicContact CD1-CD1 4.23Å; I935-L1243 HydrophobicContact CD1-CD2 3.87Å; I935-L1243 HydrophobicContact CD1-CG 4.45Å; I935-L1243 HydrophobicContact CG2-CD1 4.25Å; I935-L1243 HydrophobicContact CG2-CD2 4.4Å; I947-L1243 HydrophobicContact CD1-CD2 4.25Å; V1235-L1243 HydrophobicContact CG1-CD1 3.85Å; V1237-L1243 HydrophobicContact CG2-CB 4.18Å; V1237-L1243 HydrophobicContact CG2-CD1 3.57Å; L1243-V1245 HydrophobicContact CD2-CG2 4.3Å; L1243-V1245 HydrophobicContact CG-CG2 4.14Å
1244Y87Confident83.6Confident2 Ų228.1 Ų28.11%0.00814%0.14CC..EExtended strand (participates in β ladder)trans-107.8110.9173.6-64.4-80.3000109.5W595 F1215 T1217 N1218 V1235 T1236 D1238 I1242W595-Y1244 HydrophobicContact CD2-CD1 4.22Å; W595-Y1244 HydrophobicContact CD2-CE1 4.47Å; W595-Y1244 AromaticContact CE2-CD1 3.77Å; W595-Y1244 HydrophobicContact CH2-CD1 4.45Å; W595-Y1244 AromaticContact CH2-CE1 3.91Å; W595-Y1244 HydrophobicContact CH2-CE1 3.91Å; W595-Y1244 AromaticContact CZ2-CD1 3.91Å; W595-Y1244 HydrophobicContact CZ2-CD1 3.91Å; W595-Y1244 AromaticContact CZ2-CE1 3.78Å; W595-Y1244 HydrophobicContact CZ2-CE1 3.78Å; W595-Y1244 HydrophobicContact CZ3-CE1 4.31Å; W595-Y1244 AromaticContact NE1-CD1 3.98Å; F1215-Y1244 HydrophobicContact CE1-CD1 4.09Å; F1215-Y1244 HydrophobicContact CE1-CE1 4.34Å; F1215-Y1244 HydrophobicContact CZ-CD1 4.39Å; T1217-Y1244 HydrophobicContact CG2-CD2 4.08Å; T1217-Y1244 HydrophobicContact CG2-CE1 4.43Å; T1217-Y1244 HydrophobicContact CG2-CE2 3.84Å; T1217-Y1244 HydrophobicContact CG2-CG 4.46Å; N1218-Y1244 WeakPolarHBondContact CB-OH 3.14Å; N1218-Y1244 PolarHBondContact N-OH 3.01Å; V1235-Y1244 VanDerWaalsContact CA-O 3.31Å; V1235-Y1244 WeakPolarHBondContact CA-O 3.47Å; T1236-Y1244 HydrophobicContact CG2-CD2 4.17Å; T1236-Y1244 HydrophobicContact CG2-CG 4.4Å; T1236-Y1244 PolarHBondContact N-O 3.45Å; T1236-Y1244 PolarHBondContact O-N 3.23Å; D1238-Y1244 HydrophobicContact CB-CE2 3.97Å; D1238-Y1244 PolarHBondContact OD2-OH 3.33Å; I1242-Y1244 HydrophobicContact CB-CE2 3.92Å; I1242-Y1244 HydrophobicContact CG2-CD2 4.37Å; I1242-Y1244 HydrophobicContact CG2-CE1 4.04Å; I1242-Y1244 HydrophobicContact CG2-CE2 3.81Å; I1242-Y1244 WeakPolarHBondContact O-CD2 3.44Å; I1242-Y1244 WeakPolarHBondContact O-CE2 3.34Å
1245V90.3Very high82.9Confident0 Ų029.9 Ų29.90%015%0.149CC..EExtended strand (participates in β ladder)trans-105.6103.2166.6-172.80000107.9I596 N597 I935 V1233 V1235 L1243I596-V1245 HydrophobicContact CD1-CG1 4.05Å; I596-V1245 PolarHBondContact N-O 3.43Å; N597-V1245 HydrophobicContact CB-CG2 4.45Å; N597-V1245 PolarHBondContact OD1-N 3.49Å; I935-V1245 HydrophobicContact CD1-CG2 3.63Å; V1233-V1245 HydrophobicContact CG1-CG1 4.16Å; V1235-V1245 HydrophobicContact CG2-CG1 4.38Å; V1235-V1245 HydrophobicContact CG2-CG2 4.49Å; L1243-V1245 HydrophobicContact CD2-CG2 4.3Å; L1243-V1245 HydrophobicContact CG-CG2 4.14Å
1246L91.9Very high82.3Confident1 Ų132 Ų321%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-104.3133.8-176-51.5178.6000109.9L593 E594 W595 L1201 W1203 F1215 V1233 Y1234L593-L1246 HydrophobicContact CD1-CD1 4.29Å; E594-L1246 CarbonylContact O-C 3.59Å; E594-L1246 WeakPolarHBondContact O-CA 3.49Å; W595-L1246 HydrophobicContact CB-CD2 3.94Å; W595-L1246 HydrophobicContact CG-CD2 4.12Å; L1201-L1246 HydrophobicContact CD1-CD1 3.71Å; W1203-L1246 HydrophobicContact CH2-CD1 4.39Å; F1215-L1246 HydrophobicContact CD1-CD1 3.93Å; F1215-L1246 HydrophobicContact CD2-CD1 4.25Å; F1215-L1246 HydrophobicContact CD2-CD2 4.48Å; F1215-L1246 HydrophobicContact CE1-CD1 4Å; F1215-L1246 HydrophobicContact CE1-CD2 4.02Å; F1215-L1246 HydrophobicContact CE2-CD1 4.31Å; F1215-L1246 HydrophobicContact CE2-CD2 3.77Å; F1215-L1246 HydrophobicContact CG-CD1 4.07Å; F1215-L1246 HydrophobicContact CZ-CD1 4.21Å; F1215-L1246 HydrophobicContact CZ-CD2 3.52Å; V1233-L1246 CarbonylContact C-O 3.56Å; V1233-L1246 VanDerWaalsContact CA-O 3.28Å; V1233-L1246 WeakPolarHBondContact CA-O 3.44Å; Y1234-L1246 HydrophobicContact CD2-CB 4.47Å; Y1234-L1246 PolarHBondContact N-O 2.87Å; Y1234-L1246 PolarHBondContact O-N 3.42Å
1247Q90.4Very high81.6Confident88 Ų8834.4 Ų34.441%0.41117%0.171SC..EExtended strand (participates in β ladder)trans-121.4132.2174.8-179.3174.831.800110.2L593 E594 I596 K1232 V1233 M1249L593-Q1247 WeakPolarHBondContact CA-O 3.32Å; E594-Q1247 PolarHBondContact N-O 3.11Å; E594-Q1247 PolarHBondContact O-N 3.4Å; I596-Q1247 HydrophobicContact CD1-CB 3.53Å; I596-Q1247 HydrophobicContact CD1-CG 4.43Å; I596-Q1247 HydrophobicContact CG1-CB 4.03Å; K1232-Q1247 CarbonylContact O-C 3.57Å; K1232-Q1247 WeakPolarHBondContact O-CA 3.09Å; V1233-Q1247 HydrophobicContact CG2-CG 4.32Å; Q1247-M1249 PolarHBondContact O-N 3.01Å
1248K88.5Confident81.2Confident84 Ų8437 Ų3737%0.36518%0.184SC..EExtended strand (participates in β ladder)trans-65.7127.4172.9-173-178.8177.2-179.70110F591 L593 K1232F591-K1248 HydrophobicContact CD2-CD 4.18Å; F591-K1248 HydrophobicContact CE2-CD 3.66Å; F591-K1248 HydrophobicContact CE2-CG 4.37Å; F591-K1248 HydrophobicContact CZ-CD 4.09Å; F591-K1248 HydrophobicContact CZ-CG 4.45Å; L593-K1248 HydrophobicContact CD2-CB 4.31Å; K1232-K1248 PolarHBondContact O-N 3.1Å
1249M82.8Confident81.6Confident122 Ų12240.3 Ų40.360%0.60120%0.2SC*.  trans-71.60177.1-74.4-169.8131.500113.2L568 K581 Y592 E594 Q1247L568-M1249 HydrophobicContact CD1-SD 4.15Å; L568-M1249 HydrophobicContact CD2-SD 4.4Å; K581-M1249 HydrophobicContact CG-CE 4.26Å; Y592-M1249 PolarHBondContact O-N 2.99Å; E594-M1249 HydrophobicContact CB-CE 4.05Å; E594-M1249 HydrophobicContact CB-CG 4.01Å; E594-M1249 HydrophobicContact CB-SD 4.45Å; E594-M1249 HydrophobicContact CG-CE 4.25Å; E594-M1249 WeakPolarHBondContact OE2-CE 3.26Å; Q1247-M1249 PolarHBondContact O-N 3.01Å

Retrieved 1,249 of 1,249 residues in 600.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).