A0A077YYV6_TRITR Loading...

Cation transporting ATPase 13A1

AlphaFold DB , UniProt , Accession A0A077YYV6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,131 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.2Very low72.3Confident235 Ų23579.6 Ų79.6100%1.15838%0.383SS*.  0150.60-76.9169.6170.800107.3
2A57.5Low73.6Confident53 Ų5374.8 Ų74.844%0.43836%0.36SS..  trans-59.2145168.300000108.5T98A2-T98 HydrophobicContact CB-CG2 4.08Å
3I63.8Low74.7Confident58 Ų5870.4 Ų70.430%0.29734%0.338SS..SBendtrans-72.4-37.7-179.4-65.3176000109.8V7 I10 F139I3-V7 HydrophobicContact CB-CG1 4.39Å; I3-V7 HydrophobicContact CD1-CG1 4.2Å; I3-V7 PolarHBondContact N-O 3.23Å; I3-I10 HydrophobicContact CD1-CB 4.11Å; I3-I10 HydrophobicContact CD1-CD1 3.73Å; I3-I10 HydrophobicContact CD1-CG1 3.8Å; I3-F139 WeakPolarHBondContact CG2-O 3.25Å
4D70.1Confident75.7Confident55 Ų5568.5 Ų68.529%0.29433%0.33SS..SBendtrans-151176178-173.817.6000109.1L6 V7 Y129D4-L6 PolarHBondContact O-N 2.96Å; D4-L6 VanDerWaalsContact O-N 3.09Å; D4-V7 PolarHBondContact N-O 3.31Å; D4-V7 PolarHBondContact O-N 3.46Å; D4-Y129 HydrophobicContact CB-CE1 4.35Å
5E68.1Low76.3Confident93 Ų9371.9 Ų71.944%0.43535%0.345SS..SBendtrans-49.2-34.3172.1-64-174.215100111.4T98 N101 R361 K765E5-T98 WeakPolarHBondContact O-CG2 3.42Å; E5-T98 PolarHBondContact O-OG1 3.31Å; E5-N101 PolarHBondContact O-ND2 3.27Å; E5-R361 IonicContact OE2-CZ 2.71Å; E5-R361 IonicContact OE2-NH1 2.79Å; E5-R361 PolarHBondContact OE2-NH1 3.06Å; E5-R361 IonicContact OE2-NH2 3.39Å; E5-R361 PolarHBondContact OE2-NH2 2.8Å; E5-R361 VanDerWaalsContact OE2-NH2 3.13Å; E5-K765 IonicContact OE1-NZ 2.69Å; E5-K765 PolarHBondContact OE1-NZ 3.39Å
6L72.8Confident76.9Confident15 Ų1571.9 Ų71.98%0.07934%0.343CS..SBendtrans-94.9-35.1-176-71.3178.3000115.7D4 P97 T98 N101 R364D4-L6 PolarHBondContact O-N 2.96Å; D4-L6 VanDerWaalsContact O-N 3.09Å; L6-P97 CarbonylContact O-C 3.53Å; L6-P97 WeakPolarHBondContact O-CA 3.24Å; L6-T98 PolarHBondContact O-N 2.89Å; L6-T98 PolarHBondContact O-OG1 2.91Å; L6-N101 HydrophobicContact CD2-CB 4.17Å; L6-R364 VanDerWaalsContact CD1-NH2 3.31Å
7V79Confident77.3Confident0 Ų075.9 Ų75.90%036%0.362CS..EExtended strand (participates in β ladder)trans-113.4116.5-167.6176.50000109.7I3 D4 I10 V95 F124 Y129I3-V7 HydrophobicContact CB-CG1 4.39Å; I3-V7 HydrophobicContact CD1-CG1 4.2Å; I3-V7 PolarHBondContact N-O 3.23Å; D4-V7 PolarHBondContact N-O 3.31Å; D4-V7 PolarHBondContact O-N 3.46Å; V7-I10 HydrophobicContact CG1-CD1 4.02Å; V7-I10 HydrophobicContact CG1-CG1 3.69Å; V7-V95 HydrophobicContact CB-CG1 4.36Å; V7-V95 HydrophobicContact CG1-CG1 3.68Å; V7-V95 HydrophobicContact CG2-CG1 3.71Å; V7-F124 HydrophobicContact CG2-CD1 3.78Å; V7-F124 HydrophobicContact CG2-CE1 4.06Å; V7-Y129 HydrophobicContact CG2-CE1 4.11Å; V7-Y129 HydrophobicContact CG2-CE2 4.22Å; V7-Y129 VanDerWaalsContact CG2-OH 3.31Å; V7-Y129 WeakPolarHBondContact CG2-OH 3.27Å
8E82.6Confident77.4Confident101 Ų10176.4 Ų76.447%0.47237%0.37SS..EExtended strand (participates in β ladder)trans-77.6-45.6175.8-172.6179.7172.800111T96 T98E8-T96 PolarHBondContact N-O 3.29Å; E8-T98 HydrophobicContact CB-CG2 4.13Å
9R84Confident77.5Confident148 Ų14881.6 Ų81.656%0.55839%0.385SS*.EExtended strand (participates in β ladder)trans-156.6140.5-174.5-159.8175.5-159168.68.1113T96R9-T96 PolarHBondContact N-O 3.4Å; R9-T96 WeakPolarHBondContact O-CB 3.35Å; R9-T96 PolarHBondContact O-N 3.32Å
10I85.3Confident77.8Confident24 Ų2483 Ų8312%0.12340%0.395CS..EExtended strand (participates in β ladder)trans-112.4133.4171.7-63.4165.3000109.1I3 V7 A93 V95 L122 F139I3-I10 HydrophobicContact CD1-CB 4.11Å; I3-I10 HydrophobicContact CD1-CD1 3.73Å; I3-I10 HydrophobicContact CD1-CG1 3.8Å; V7-I10 HydrophobicContact CG1-CD1 4.02Å; V7-I10 HydrophobicContact CG1-CG1 3.69Å; I10-A93 HydrophobicContact CG2-CB 4.09Å; I10-V95 HydrophobicContact CG1-CG1 4.23Å; I10-V95 HydrophobicContact CG1-CG2 4.29Å; I10-L122 HydrophobicContact CD1-CD2 4.35Å; I10-L122 HydrophobicContact CG2-CD2 4.27Å; I10-F139 HydrophobicContact CB-CD2 4.38Å; I10-F139 HydrophobicContact CD1-CB 3.68Å; I10-F139 HydrophobicContact CD1-CD2 4.02Å; I10-F139 HydrophobicContact CD1-CG 3.95Å; I10-F139 HydrophobicContact CG2-CD2 3.99Å; I10-F139 HydrophobicContact CG2-CE2 4.04Å
11R86.3Confident78.1Confident94 Ų9479.3 Ų79.336%0.35538%0.377SS..EExtended strand (participates in β ladder)trans-122.8134173-69.4-171.9-178.5176.2-0.1110.4Y13 A93 M94R11-Y13 HydrophobicContact CB-CD2 4.38Å; R11-Y13 HydrophobicContact CB-CE2 3.62Å; R11-Y13 WeakPolarHBondContact O-CD2 3.47Å; R11-A93 CarbonylContact O-C 3.27Å; R11-A93 WeakPolarHBondContact O-CA 3.49Å; R11-M94 HydrophobicContact CB-CE 4.26Å; R11-M94 HydrophobicContact CG-CE 4.3Å; R11-M94 PolarHBondContact N-O 3.49Å; R11-M94 PolarHBondContact O-N 3.34Å
12L88Confident79.8Confident21 Ų2169.3 Ų69.311%0.1133%0.334CS..EExtended strand (participates in β ladder)trans-94.8139.3-175.6-62.7166.6000111.5V84 P87 A90 A93 L109 F139L12-V84 WeakPolarHBondContact CB-O 3.32Å; L12-V84 PolarHBondContact O-N 3.16Å; L12-P87 HydrophobicContact CD1-CB 3.89Å; L12-A90 HydrophobicContact CB-CB 3.89Å; L12-A90 HydrophobicContact CD2-CB 4.16Å; L12-A90 HydrophobicContact CG-CB 4.49Å; L12-A93 HydrophobicContact CD2-CB 4.17Å; L12-L109 HydrophobicContact CD2-CD1 3.68Å; L12-L109 HydrophobicContact CD2-CD2 4.33Å; L12-F139 HydrophobicContact CD1-CE2 4.41Å; L12-F139 HydrophobicContact CD2-CE2 3.83Å; L12-F139 HydrophobicContact CD2-CZ 3.89Å; L12-F139 HydrophobicContact CG-CE2 4.4Å
13Y87.3Confident81Confident18 Ų1869.2 Ų69.27%0.07132%0.323CS..EExtended strand (participates in β ladder)trans-139151.9-174.3-72.7-81.2000111.8R11 C77 C81 S82 Q83 T91 L92 M94R11-Y13 HydrophobicContact CB-CD2 4.38Å; R11-Y13 HydrophobicContact CB-CE2 3.62Å; R11-Y13 WeakPolarHBondContact O-CD2 3.47Å; Y13-C77 HydrophobicContact CE1-CB 4.06Å; Y13-C77 HydrophobicContact CE2-CB 4.39Å; Y13-C81 HydrophobicContact CD1-CB 3.71Å; Y13-C81 HydrophobicContact CG-CB 4.11Å; Y13-S82 CarbonylContact C-O 3.54Å; Y13-S82 VanDerWaalsContact CA-O 3.3Å; Y13-S82 WeakPolarHBondContact CA-O 3.45Å; Y13-Q83 HydrophobicContact CD1-CB 4.22Å; Y13-Q83 HydrophobicContact CE1-CB 3.88Å; Y13-Q83 HydrophobicContact CE1-CG 4.24Å; Y13-T91 PolarHBondContact O-N 3.14Å; Y13-T91 VanDerWaalsContact O-N 3.15Å; Y13-L92 PolarHBondContact N-O 3.04Å; Y13-L92 PolarHBondContact O-N 3.37Å; Y13-L92 VanDerWaalsContact O-O 3.06Å; Y13-M94 HydrophobicContact CD2-CB 3.9Å; Y13-M94 HydrophobicContact CE2-CB 3.62Å; Y13-M94 HydrophobicContact CE2-CE 4.47Å; Y13-M94 HydrophobicContact CE2-SD 4.31Å
14N88.7Confident82Confident44 Ų4469 Ų6924%0.23532%0.32CS..EExtended strand (participates in β ladder)trans-110.4140162-98.5-6000110.6C81 S82 V84 K89 A90 T91N14-C81 CarbonylContact O-C 3.49Å; N14-C81 WeakPolarHBondContact O-CA 3.47Å; N14-C81 WeakPolarHBondContact O-CB 3.13Å; N14-S82 PolarHBondContact N-O 3Å; N14-S82 PolarHBondContact O-N 3Å; N14-V84 HydrophobicContact CB-CG2 3.91Å; N14-K89 VanDerWaalsContact CG-O 3.29Å; N14-K89 PolarHBondContact ND2-O 3.11Å; N14-K89 PolarHBondContact OD1-O 2.87Å; N14-A90 VanDerWaalsContact OD1-CA 3.31Å; N14-A90 WeakPolarHBondContact OD1-CA 3.39Å; N14-T91 WeakPolarHBondContact OD1-CG2 3.31Å; N14-T91 PolarHBondContact OD1-N 3.46Å; N14-T91 PolarHBondContact OD1-OG1 2.95Å
15Q85Confident82.7Confident119 Ų11968.2 Ų68.256%0.55632%0.321SS*.EExtended strand (participates in β ladder)trans-72.6126.7171.8-168.3170.3-4.500109.6L92Q15-L92 HydrophobicContact CB-CD1 4Å
16K84.9Confident83.5Confident72 Ų7267 Ų6731%0.31332%0.321SS..PPolyproline II helixtrans-71.3160171.6-65.4173.1179.5164.70109.3L20 H21 T80 C81K16-L20 HydrophobicContact CB-CB 4.22Å; K16-H21 PolarHBondContact O-NE2 3.47Å; K16-T80 VanDerWaalsContact CB-O 3.32Å; K16-T80 WeakPolarHBondContact CB-O 3.4Å; K16-T80 WeakPolarHBondContact CG-O 3.14Å; K16-T80 PolarHBondContact N-O 3.44Å; K16-C81 VanDerWaalsContact CE-O 3.23Å; K16-C81 WeakPolarHBondContact CE-O 3.44Å; K16-C81 PolarHBondContact NZ-O 3.01Å
17Q84.1Confident84.2Confident141 Ų14167.2 Ų67.266%0.65932%0.322SS*.PPolyproline II helixtrans-63.7149.1168.5-69.1-178.8-13.400110W19 L20 H21Q17-W19 PolarHBondContact O-N 3.17Å; Q17-W19 VanDerWaalsContact O-N 3.13Å; Q17-L20 WeakPolarHBondContact O-CA 3.33Å; Q17-L20 WeakPolarHBondContact O-CB 3.35Å; Q17-L20 PolarHBondContact O-N 3Å; Q17-H21 PolarHBondContact O-CD2 3.32Å; Q17-H21 VanDerWaalsContact O-CD2 3.23Å; Q17-H21 PolarHBondContact O-N 2.99Å
18V79.2Confident84.6Confident84 Ų8470.9 Ų70.951%0.50934%0.341SS..G310 helixtrans-54.2-38.3-175.7-177.80000112.2L20 H21V18-L20 PolarHBondContact O-N 2.9Å; V18-H21 WeakPolarHBondContact O-CB 3.37Å; V18-H21 PolarHBondContact O-N 3.29Å; V18-H21 VanDerWaalsContact O-N 3.15Å
19W79.4Confident84.9Confident175 Ų17571.9 Ų71.966%0.66335%0.348SS*.G310 helixtrans-65.6-20.5177.6-59.488.4000114.3Q17 F24 A25 L28Q17-W19 PolarHBondContact O-N 3.17Å; Q17-W19 VanDerWaalsContact O-N 3.13Å; W19-F24 HydrophobicContact CD2-CE1 4.08Å; W19-F24 HydrophobicContact CE3-CD1 4.37Å; W19-F24 AromaticContact CE3-CE1 3.4Å; W19-F24 HydrophobicContact CE3-CE1 3.4Å; W19-F24 VanDerWaalsContact CE3-CE1 3.4Å; W19-F24 HydrophobicContact CE3-CZ 4.02Å; W19-F24 AromaticContact CZ3-CE1 3.74Å; W19-F24 HydrophobicContact CZ3-CE1 3.74Å; W19-F24 AromaticContact CZ3-CZ 3.9Å; W19-F24 HydrophobicContact CZ3-CZ 3.9Å; W19-A25 WeakPolarHBondContact O-CB 3.4Å; W19-L28 HydrophobicContact CE3-CD2 4.42Å; W19-L28 HydrophobicContact CZ3-CD2 4.37Å
20L83.3Confident85Confident109 Ų10966.1 Ų66.157%0.57133%0.332SS*.G310 helixtrans-99.63.4177.7-71.4169.2000112.8K16 Q17 V18 G22K16-L20 HydrophobicContact CB-CB 4.22Å; Q17-L20 WeakPolarHBondContact O-CA 3.33Å; Q17-L20 WeakPolarHBondContact O-CB 3.35Å; Q17-L20 PolarHBondContact O-N 3Å; V18-L20 PolarHBondContact O-N 2.9Å; L20-G22 PolarHBondContact O-N 3.2Å
21H85.2Confident85.2Confident7 Ų768 Ų683%0.03234%0.339CS..  trans-64.8136.5175-70.7-177.1000110K16 Q17 V18 Y23 F24 A25K16-H21 PolarHBondContact O-NE2 3.47Å; Q17-H21 PolarHBondContact O-CD2 3.32Å; Q17-H21 VanDerWaalsContact O-CD2 3.23Å; Q17-H21 PolarHBondContact O-N 2.99Å; V18-H21 WeakPolarHBondContact O-CB 3.37Å; V18-H21 PolarHBondContact O-N 3.29Å; V18-H21 VanDerWaalsContact O-N 3.15Å; H21-Y23 HydrophobicContact CB-CD1 3.92Å; H21-Y23 HydrophobicContact CB-CE1 3.65Å; H21-Y23 HydrophobicContact CB-CE2 4.32Å; H21-Y23 HydrophobicContact CB-CG 4.38Å; H21-Y23 AromaticContact CG-CE1 3.83Å; H21-Y23 AromaticContact CG-CZ 3.94Å; H21-Y23 AromaticContact ND1-CE1 3.38Å; H21-Y23 WeakPolarHBondContact ND1-CE1 3.45Å; H21-Y23 AromaticContact ND1-CZ 3.23Å; H21-Y23 PolarHBondContact ND1-OH 3.03Å; H21-Y23 PolarHBondContact O-N 2.96Å; H21-F24 HydrophobicContact CB-CB 4.4Å; H21-F24 PolarHBondContact O-N 3.41Å; H21-A25 PolarHBondContact O-N 3.45Å
22G81.5Confident85.3Confident24 Ų2467.9 Ų67.925%0.24735%0.348CS..THydrogen-bonded Turntrans-62.1-15.5-179.600000114.4L20 P26 L79L20-G22 PolarHBondContact O-N 3.2Å; G22-P26 VanDerWaalsContact O-CD 3.28Å; G22-P26 WeakPolarHBondContact O-CD 3.45Å; G22-P26 WeakPolarHBondContact O-CG 3.31Å; G22-L79 PolarHBondContact N-O 3.32Å
23Y82.3Confident85.3Confident51 Ų5170.3 Ų70.320%0.236%0.363CS..THydrogen-bonded Turntrans-93-3.8172.966.3-103.7000113.9H21 F27 V66 T80H21-Y23 HydrophobicContact CB-CD1 3.92Å; H21-Y23 HydrophobicContact CB-CE1 3.65Å; H21-Y23 HydrophobicContact CB-CE2 4.32Å; H21-Y23 HydrophobicContact CB-CG 4.38Å; H21-Y23 AromaticContact CG-CE1 3.83Å; H21-Y23 AromaticContact CG-CZ 3.94Å; H21-Y23 AromaticContact ND1-CE1 3.38Å; H21-Y23 WeakPolarHBondContact ND1-CE1 3.45Å; H21-Y23 AromaticContact ND1-CZ 3.23Å; H21-Y23 PolarHBondContact ND1-OH 3.03Å; H21-Y23 PolarHBondContact O-N 2.96Å; Y23-F27 VanDerWaalsContact C-CD2 3.47Å; Y23-F27 WeakPolarHBondContact O-CD2 3.49Å; Y23-V66 HydrophobicContact CD2-CG2 3.64Å; Y23-V66 HydrophobicContact CE2-CG2 4.17Å; Y23-V66 HydrophobicContact CG-CG2 3.94Å; Y23-T80 HydrophobicContact CD1-CG2 4.15Å; Y23-T80 HydrophobicContact CE1-CG2 3.65Å
24F85.8Confident85.2Confident55 Ų5570.3 Ų70.324%0.24137%0.366CS..THydrogen-bonded Turntrans-117.4-54.5-178.8-173.2-91.9000111.7W19 H21 F27 L28W19-F24 HydrophobicContact CD2-CE1 4.08Å; W19-F24 HydrophobicContact CE3-CD1 4.37Å; W19-F24 AromaticContact CE3-CE1 3.4Å; W19-F24 HydrophobicContact CE3-CE1 3.4Å; W19-F24 VanDerWaalsContact CE3-CE1 3.4Å; W19-F24 HydrophobicContact CE3-CZ 4.02Å; W19-F24 AromaticContact CZ3-CE1 3.74Å; W19-F24 HydrophobicContact CZ3-CE1 3.74Å; W19-F24 AromaticContact CZ3-CZ 3.9Å; W19-F24 HydrophobicContact CZ3-CZ 3.9Å; H21-F24 HydrophobicContact CB-CB 4.4Å; H21-F24 PolarHBondContact O-N 3.41Å; F24-F27 PolarHBondContact O-N 3.38Å; F24-L28 HydrophobicContact CE1-CB 4.34Å; F24-L28 HydrophobicContact CE1-CD2 4Å; F24-L28 WeakPolarHBondContact O-CB 3.31Å; F24-L28 PolarHBondContact O-N 3.21Å
25A84.5Confident85Confident37 Ų3773 Ų7331%0.30638%0.375SS..Hα-helixtrans-54.5-53.6-176.300000114.4W19 H21 F27 L28 L29W19-A25 WeakPolarHBondContact O-CB 3.4Å; H21-A25 PolarHBondContact O-N 3.45Å; A25-F27 VanDerWaalsContact C-N 3.3Å; A25-F27 PolarHBondContact O-N 2.85Å; A25-L28 PolarHBondContact O-N 3.35Å; A25-L29 PolarHBondContact O-N 3.41Å
26P85.4Confident85Confident69 Ų6973.8 Ų73.845%0.44837%0.374SS..Hα-helixtrans-68.4-30.5-179.726.8-33.8000112.4G22 A30G22-P26 VanDerWaalsContact O-CD 3.28Å; G22-P26 WeakPolarHBondContact O-CD 3.45Å; G22-P26 WeakPolarHBondContact O-CG 3.31Å; P26-A30 WeakPolarHBondContact O-CB 3.46Å; P26-A30 PolarHBondContact O-N 2.84Å
27F87.5Confident84.9Confident19 Ų1973.5 Ų73.58%0.08338%0.376CS..Hα-helixtrans-73.8-40.5178.5-70-84.7000112.1Y23 F24 A25 L29 A30 Y31 L61 Q62 A65Y23-F27 VanDerWaalsContact C-CD2 3.47Å; Y23-F27 WeakPolarHBondContact O-CD2 3.49Å; F24-F27 PolarHBondContact O-N 3.38Å; A25-F27 VanDerWaalsContact C-N 3.3Å; A25-F27 PolarHBondContact O-N 2.85Å; F27-L29 VanDerWaalsContact C-N 3.3Å; F27-L29 PolarHBondContact O-N 3.06Å; F27-A30 CarbonylContact O-C 3.55Å; F27-A30 WeakPolarHBondContact O-CB 3.37Å; F27-A30 PolarHBondContact O-N 3.27Å; F27-A30 VanDerWaalsContact O-N 3.13Å; F27-Y31 HydrophobicContact CB-CD2 4.5Å; F27-Y31 HydrophobicContact CB-CE2 4.23Å; F27-Y31 WeakPolarHBondContact O-CD2 3.49Å; F27-Y31 PolarHBondContact O-N 3.13Å; F27-L61 HydrophobicContact CE1-CB 3.81Å; F27-L61 HydrophobicContact CE1-CD2 3.8Å; F27-L61 HydrophobicContact CE1-CG 3.63Å; F27-L61 HydrophobicContact CZ-CB 4.35Å; F27-L61 HydrophobicContact CZ-CD2 4.17Å; F27-L61 HydrophobicContact CZ-CG 3.8Å; F27-L61 WeakPolarHBondContact CZ-O 3.24Å; F27-Q62 HydrophobicContact CB-CG 4.39Å; F27-Q62 HydrophobicContact CD1-CB 3.66Å; F27-Q62 HydrophobicContact CD1-CG 4.23Å; F27-Q62 HydrophobicContact CD2-CB 4.48Å; F27-Q62 HydrophobicContact CD2-CG 4.33Å; F27-Q62 VanDerWaalsContact CE1-CA 3.49Å; F27-Q62 HydrophobicContact CE1-CB 3.81Å; F27-Q62 VanDerWaalsContact CE1-N 3.25Å; F27-Q62 HydrophobicContact CG-CB 4.01Å; F27-Q62 HydrophobicContact CG-CG 4.05Å; F27-Q62 HydrophobicContact CZ-CB 4.28Å; F27-A65 HydrophobicContact CE2-CB 3.87Å; F27-A65 HydrophobicContact CZ-CB 3.97Å
28L87.2Confident84.7Confident76 Ų7668 Ų6840%0.39835%0.349SS..Hα-helixtrans-57.9-46.3172.9-176.670.6000110.6W19 F24 A25 A30 Y31 V32W19-L28 HydrophobicContact CE3-CD2 4.42Å; W19-L28 HydrophobicContact CZ3-CD2 4.37Å; F24-L28 HydrophobicContact CE1-CB 4.34Å; F24-L28 HydrophobicContact CE1-CD2 4Å; F24-L28 WeakPolarHBondContact O-CB 3.31Å; F24-L28 PolarHBondContact O-N 3.21Å; A25-L28 PolarHBondContact O-N 3.35Å; L28-A30 VanDerWaalsContact C-N 3.33Å; L28-A30 PolarHBondContact O-N 2.86Å; L28-Y31 PolarHBondContact O-N 2.79Å; L28-V32 VanDerWaalsContact O-CG2 3.3Å; L28-V32 WeakPolarHBondContact O-CG2 3.39Å; L28-V32 PolarHBondContact O-N 2.89Å
29L87.8Confident84.7Confident122 Ų12267.9 Ų67.964%0.63935%0.345SS*.Hα-helixtrans-60.8-43.3175-168.6113000111.3A25 F27 V32 V33A25-L29 PolarHBondContact O-N 3.41Å; F27-L29 VanDerWaalsContact C-N 3.3Å; F27-L29 PolarHBondContact O-N 3.06Å; L29-V32 PolarHBondContact O-N 3.49Å; L29-V33 HydrophobicContact CG-CG2 4.46Å; L29-V33 WeakPolarHBondContact O-CB 3.4Å; L29-V33 VanDerWaalsContact O-CG2 3.26Å; L29-V33 WeakPolarHBondContact O-CG2 2.97Å; L29-V33 PolarHBondContact O-N 3.09Å
30A87.3Confident84.6Confident27 Ų2766.6 Ų66.622%0.22334%0.344CS..Hα-helixtrans-62.4-42.7176.800000112.6P26 F27 L28 V33 T34 L58P26-A30 WeakPolarHBondContact O-CB 3.46Å; P26-A30 PolarHBondContact O-N 2.84Å; F27-A30 CarbonylContact O-C 3.55Å; F27-A30 WeakPolarHBondContact O-CB 3.37Å; F27-A30 PolarHBondContact O-N 3.27Å; F27-A30 VanDerWaalsContact O-N 3.13Å; L28-A30 VanDerWaalsContact C-N 3.33Å; L28-A30 PolarHBondContact O-N 2.86Å; A30-V33 PolarHBondContact O-N 2.87Å; A30-T34 VanDerWaalsContact O-CB 3.31Å; A30-T34 WeakPolarHBondContact O-CB 3.46Å; A30-T34 PolarHBondContact O-N 3.37Å; A30-T34 PolarHBondContact O-OG1 3.12Å; A30-L58 HydrophobicContact CB-CD1 4.32Å; A30-L58 HydrophobicContact CB-CD2 3.71Å
31Y89.8Confident84.1Confident65 Ų6571 Ų7126%0.25535%0.353SS..Hα-helixtrans-61.8-44.7174.4-73.5-62000111.4F27 L28 T34 F35 L55 L58 G59 Q62F27-Y31 HydrophobicContact CB-CD2 4.5Å; F27-Y31 HydrophobicContact CB-CE2 4.23Å; F27-Y31 WeakPolarHBondContact O-CD2 3.49Å; F27-Y31 PolarHBondContact O-N 3.13Å; L28-Y31 PolarHBondContact O-N 2.79Å; Y31-T34 PolarHBondContact O-N 3.44Å; Y31-F35 VanDerWaalsContact O-CB 3.22Å; Y31-F35 WeakPolarHBondContact O-CB 3.5Å; Y31-F35 PolarHBondContact O-N 3.48Å; Y31-L55 HydrophobicContact CD1-CD2 3.64Å; Y31-L55 HydrophobicContact CE1-CD2 3.95Å; Y31-L58 HydrophobicContact CD1-CB 4.39Å; Y31-L58 HydrophobicContact CD1-CD1 4Å; Y31-L58 HydrophobicContact CE1-CB 3.73Å; Y31-L58 HydrophobicContact CE1-CD1 4.18Å; Y31-G59 WeakPolarHBondContact OH-CA 3.46Å; Y31-G59 PolarHBondContact OH-N 3.41Å; Y31-Q62 PolarHBondContact OH-OE1 3.31Å
32V88.2Confident83.5Confident91 Ų9176.7 Ų76.755%0.55238%0.375SS*.Hα-helixtrans-63.2-44.8177.7172.10000111.4L28 L29 F35 Y36L28-V32 VanDerWaalsContact O-CG2 3.3Å; L28-V32 WeakPolarHBondContact O-CG2 3.39Å; L28-V32 PolarHBondContact O-N 2.89Å; L29-V32 PolarHBondContact O-N 3.49Å; V32-F35 PolarHBondContact O-N 2.9Å; V32-Y36 VanDerWaalsContact O-CB 3.27Å; V32-Y36 WeakPolarHBondContact O-CB 3.42Å; V32-Y36 PolarHBondContact O-N 3.45Å
33V87.1Confident82.9Confident71 Ų7177 Ų7743%0.4338%0.378SS..Hα-helixtrans-64-43.6177.61700000111L29 A30 Y36 L37L29-V33 HydrophobicContact CG-CG2 4.46Å; L29-V33 WeakPolarHBondContact O-CB 3.4Å; L29-V33 VanDerWaalsContact O-CG2 3.26Å; L29-V33 WeakPolarHBondContact O-CG2 2.97Å; L29-V33 PolarHBondContact O-N 3.09Å; A30-V33 PolarHBondContact O-N 2.87Å; V33-Y36 PolarHBondContact O-N 3.34Å; V33-L37 HydrophobicContact CG1-CD1 4.02Å; V33-L37 HydrophobicContact CG1-CG 4.46Å; V33-L37 WeakPolarHBondContact O-CB 3.44Å; V33-L37 VanDerWaalsContact O-CG 3.31Å; V33-L37 WeakPolarHBondContact O-CG 3.41Å; V33-L37 PolarHBondContact O-N 2.94Å
34T84.8Confident82.3Confident19 Ų1979.5 Ų79.512%0.11739%0.39CS..Hα-helixtrans-63.9-43.8178.7-52.30000110.7A30 Y31 L37 W38 F51 I54 L58A30-T34 VanDerWaalsContact O-CB 3.31Å; A30-T34 WeakPolarHBondContact O-CB 3.46Å; A30-T34 PolarHBondContact O-N 3.37Å; A30-T34 PolarHBondContact O-OG1 3.12Å; Y31-T34 PolarHBondContact O-N 3.44Å; T34-L37 PolarHBondContact O-N 2.83Å; T34-W38 WeakPolarHBondContact O-CB 3.12Å; T34-W38 PolarHBondContact O-N 3.41Å; T34-F51 HydrophobicContact CG2-CD2 3.91Å; T34-F51 HydrophobicContact CG2-CE2 3.76Å; T34-I54 HydrophobicContact CG2-CB 4.21Å; T34-I54 HydrophobicContact CG2-CG2 3.56Å; T34-L58 WeakPolarHBondContact OG1-CD1 3.23Å
35F84.8Confident81.5Confident101 Ų10186.6 Ų86.644%0.44342%0.417SS..Hα-helixtrans-65.6-39.3176.5-169.8-103000112.5Y31 V32 W38 L39 F51Y31-F35 VanDerWaalsContact O-CB 3.22Å; Y31-F35 WeakPolarHBondContact O-CB 3.5Å; Y31-F35 PolarHBondContact O-N 3.48Å; V32-F35 PolarHBondContact O-N 2.9Å; F35-W38 AromaticContact CD2-CE3 3.86Å; F35-W38 HydrophobicContact CD2-CE3 3.86Å; F35-W38 HydrophobicContact CD2-CZ3 4.15Å; F35-W38 AromaticContact CE2-CE3 3.84Å; F35-W38 HydrophobicContact CE2-CE3 3.84Å; F35-W38 AromaticContact CE2-CZ3 3.71Å; F35-W38 HydrophobicContact CE2-CZ3 3.71Å; F35-W38 PolarHBondContact O-N 3.42Å; F35-L39 HydrophobicContact CD1-CD1 3.66Å; F35-L39 HydrophobicContact CD1-CG 4.44Å; F35-L39 HydrophobicContact CE1-CD1 3.18Å; F35-L39 HydrophobicContact CE1-CG 4.14Å; F35-L39 HydrophobicContact CZ-CD1 3.69Å; F35-L39 HydrophobicContact CZ-CG 4.3Å; F35-L39 PolarHBondContact O-N 3.49Å; F35-F51 HydrophobicContact CD2-CZ 4.11Å
36Y85.6Confident80.7Confident135 Ų13588.4 Ų88.453%0.52943%0.431SS..Hα-helixtrans-63.2-47174.1176.5-94.5000111.7V32 V33 W38 L39 F40V32-Y36 VanDerWaalsContact O-CB 3.27Å; V32-Y36 WeakPolarHBondContact O-CB 3.42Å; V32-Y36 PolarHBondContact O-N 3.45Å; V33-Y36 PolarHBondContact O-N 3.34Å; Y36-W38 VanDerWaalsContact C-N 3.27Å; Y36-W38 PolarHBondContact O-N 2.97Å; Y36-L39 PolarHBondContact O-N 2.85Å; Y36-F40 AromaticContact CD2-CD2 3.22Å; Y36-F40 HydrophobicContact CD2-CD2 3.22Å; Y36-F40 AromaticContact CD2-CE2 3.52Å; Y36-F40 HydrophobicContact CD2-CE2 3.52Å; Y36-F40 HydrophobicContact CD2-CG 4.14Å; Y36-F40 HydrophobicContact CE2-CB 4.25Å; Y36-F40 AromaticContact CE2-CD2 3.29Å; Y36-F40 HydrophobicContact CE2-CD2 3.29Å; Y36-F40 AromaticContact CE2-CE2 3.66Å; Y36-F40 HydrophobicContact CE2-CE2 3.66Å; Y36-F40 AromaticContact CE2-CG 3.79Å; Y36-F40 HydrophobicContact CE2-CG 3.79Å; Y36-F40 HydrophobicContact CE2-CZ 4.41Å; Y36-F40 AromaticContact CG-CD2 3.95Å; Y36-F40 HydrophobicContact CG-CD2 3.95Å; Y36-F40 WeakPolarHBondContact O-CB 3.05Å; Y36-F40 WeakPolarHBondContact O-CD2 3.18Å; Y36-F40 PolarHBondContact O-N 2.96Å
37L83.1Confident79.9Confident66 Ų6690.3 Ų90.335%0.34643%0.431SS..Hα-helixtrans-59.9-40.1176.1-73.4171.1000111.4V33 T34 R41 Y42V33-L37 HydrophobicContact CG1-CD1 4.02Å; V33-L37 HydrophobicContact CG1-CG 4.46Å; V33-L37 WeakPolarHBondContact O-CB 3.44Å; V33-L37 VanDerWaalsContact O-CG 3.31Å; V33-L37 WeakPolarHBondContact O-CG 3.41Å; V33-L37 PolarHBondContact O-N 2.94Å; T34-L37 PolarHBondContact O-N 2.83Å; L37-R41 HydrophobicContact CD2-CB 4.31Å; L37-R41 WeakPolarHBondContact O-CA 3.13Å; L37-R41 VanDerWaalsContact O-CB 3.27Å; L37-R41 WeakPolarHBondContact O-CB 3.1Å; L37-R41 PolarHBondContact O-N 3.29Å; L37-Y42 HydrophobicContact CB-CD2 4.22Å; L37-Y42 HydrophobicContact CB-CE2 4.19Å; L37-Y42 WeakPolarHBondContact O-CD2 3.34Å; L37-Y42 PolarHBondContact O-N 3.27Å; L37-Y42 VanDerWaalsContact O-N 3.09Å
38W79.1Confident79.4Confident25 Ų2594.7 Ų94.710%0.09545%0.45CS..Iπ-helixtrans-63-50.7177.1-177.548.8000112.5T34 F35 Y36 G43 F44 F48 F51T34-W38 WeakPolarHBondContact O-CB 3.12Å; T34-W38 PolarHBondContact O-N 3.41Å; F35-W38 AromaticContact CD2-CE3 3.86Å; F35-W38 HydrophobicContact CD2-CE3 3.86Å; F35-W38 HydrophobicContact CD2-CZ3 4.15Å; F35-W38 AromaticContact CE2-CE3 3.84Å; F35-W38 HydrophobicContact CE2-CE3 3.84Å; F35-W38 AromaticContact CE2-CZ3 3.71Å; F35-W38 HydrophobicContact CE2-CZ3 3.71Å; F35-W38 PolarHBondContact O-N 3.42Å; Y36-W38 VanDerWaalsContact C-N 3.27Å; Y36-W38 PolarHBondContact O-N 2.97Å; W38-G43 PolarHBondContact O-N 2.89Å; W38-G43 VanDerWaalsContact O-N 3.09Å; W38-F44 AromaticContact CH2-CD2 3.62Å; W38-F44 HydrophobicContact CH2-CD2 3.62Å; W38-F44 AromaticContact CH2-CE2 3.3Å; W38-F44 HydrophobicContact CH2-CE2 3.3Å; W38-F44 HydrophobicContact CH2-CZ 4.14Å; W38-F44 AromaticContact CZ2-CD2 3.52Å; W38-F44 HydrophobicContact CZ2-CD2 3.52Å; W38-F44 AromaticContact CZ2-CE2 3.59Å; W38-F44 HydrophobicContact CZ2-CE2 3.59Å; W38-F44 HydrophobicContact CZ2-CG 4.2Å; W38-F44 HydrophobicContact CZ2-CZ 4.3Å; W38-F44 HydrophobicContact CZ3-CD2 4.37Å; W38-F44 HydrophobicContact CZ3-CE2 4.18Å; W38-F48 HydrophobicContact CZ2-CD2 4.01Å; W38-F48 HydrophobicContact CZ2-CE2 4.43Å; W38-F51 HydrophobicContact CB-CD2 3.52Å; W38-F51 HydrophobicContact CB-CE2 3.6Å; W38-F51 HydrophobicContact CB-CG 4.22Å; W38-F51 HydrophobicContact CB-CZ 4.35Å; W38-F51 AromaticContact CD1-CG 3.86Å; W38-F51 AromaticContact CD2-CD1 3.87Å; W38-F51 HydrophobicContact CD2-CD1 3.87Å; W38-F51 HydrophobicContact CD2-CD2 4.04Å; W38-F51 AromaticContact CD2-CE1 3.84Å; W38-F51 HydrophobicContact CD2-CE1 3.84Å; W38-F51 HydrophobicContact CD2-CE2 4.01Å; W38-F51 AromaticContact CD2-CG 3.96Å; W38-F51 HydrophobicContact CD2-CG 3.96Å; W38-F51 AromaticContact CD2-CZ 3.92Å; W38-F51 HydrophobicContact CD2-CZ 3.92Å; W38-F51 AromaticContact CE2-CD1 3.95Å; W38-F51 HydrophobicContact CE3-CD1 4.22Å; W38-F51 AromaticContact CE3-CE1 3.7Å; W38-F51 HydrophobicContact CE3-CE1 3.7Å; W38-F51 HydrophobicContact CE3-CE2 4.08Å; W38-F51 AromaticContact CE3-CZ 3.63Å; W38-F51 HydrophobicContact CE3-CZ 3.63Å; W38-F51 HydrophobicContact CG-CB 4.31Å; W38-F51 HydrophobicContact CG-CD1 4.19Å; W38-F51 AromaticContact CG-CD2 3.58Å; W38-F51 HydrophobicContact CG-CD2 3.58Å; W38-F51 HydrophobicContact CG-CE1 4.4Å; W38-F51 AromaticContact CG-CE2 3.84Å; W38-F51 HydrophobicContact CG-CE2 3.84Å; W38-F51 AromaticContact CG-CG 3.76Å; W38-F51 HydrophobicContact CG-CG 3.76Å; W38-F51 HydrophobicContact CG-CZ 4.25Å; W38-F51 HydrophobicContact CH2-CE1 4.33Å; W38-F51 HydrophobicContact CZ2-CD1 4.35Å; W38-F51 HydrophobicContact CZ2-CE1 4.48Å; W38-F51 AromaticContact CZ3-CE1 3.96Å; W38-F51 HydrophobicContact CZ3-CE1 3.96Å; W38-F51 HydrophobicContact CZ3-CZ 4.22Å
39L79.6Confident78.7Confident81 Ų8198.8 Ų98.842%0.42447%0.467SS..Iπ-helixtrans-68.8-43.8-178.3-78.1174.3000113.6F35 Y36F35-L39 HydrophobicContact CD1-CD1 3.66Å; F35-L39 HydrophobicContact CD1-CG 4.44Å; F35-L39 HydrophobicContact CE1-CD1 3.18Å; F35-L39 HydrophobicContact CE1-CG 4.14Å; F35-L39 HydrophobicContact CZ-CD1 3.69Å; F35-L39 HydrophobicContact CZ-CG 4.3Å; F35-L39 PolarHBondContact O-N 3.49Å; Y36-L39 PolarHBondContact O-N 2.85Å
40F77.4Confident78.1Confident148 Ų14898 Ų9865%0.64946%0.46SS*.Iπ-helixtrans-102.9-25.3-166.4-68-81.9000114.6Y36Y36-F40 AromaticContact CD2-CD2 3.22Å; Y36-F40 HydrophobicContact CD2-CD2 3.22Å; Y36-F40 AromaticContact CD2-CE2 3.52Å; Y36-F40 HydrophobicContact CD2-CE2 3.52Å; Y36-F40 HydrophobicContact CD2-CG 4.14Å; Y36-F40 HydrophobicContact CE2-CB 4.25Å; Y36-F40 AromaticContact CE2-CD2 3.29Å; Y36-F40 HydrophobicContact CE2-CD2 3.29Å; Y36-F40 AromaticContact CE2-CE2 3.66Å; Y36-F40 HydrophobicContact CE2-CE2 3.66Å; Y36-F40 AromaticContact CE2-CG 3.79Å; Y36-F40 HydrophobicContact CE2-CG 3.79Å; Y36-F40 HydrophobicContact CE2-CZ 4.41Å; Y36-F40 AromaticContact CG-CD2 3.95Å; Y36-F40 HydrophobicContact CG-CD2 3.95Å; Y36-F40 WeakPolarHBondContact O-CB 3.05Å; Y36-F40 WeakPolarHBondContact O-CD2 3.18Å; Y36-F40 PolarHBondContact O-N 2.96Å
41R73Confident77.7Confident202 Ų20297.6 Ų97.676%0.76245%0.453SS*.Iπ-helixtrans-106.8-48.2-173.7-164.499.5-179150.31.5112.8L37L37-R41 HydrophobicContact CD2-CB 4.31Å; L37-R41 WeakPolarHBondContact O-CA 3.13Å; L37-R41 VanDerWaalsContact O-CB 3.27Å; L37-R41 WeakPolarHBondContact O-CB 3.1Å; L37-R41 PolarHBondContact O-N 3.29Å
42Y71.4Confident77.1Confident127 Ų12797 Ų9750%0.49846%0.458SS..Iπ-helixtrans-99.2-23.6-170.1-66.5-74.1000113.9L37 Y47L37-Y42 HydrophobicContact CB-CD2 4.22Å; L37-Y42 HydrophobicContact CB-CE2 4.19Å; L37-Y42 WeakPolarHBondContact O-CD2 3.34Å; L37-Y42 PolarHBondContact O-N 3.27Å; L37-Y42 VanDerWaalsContact O-N 3.09Å; Y42-Y47 HydrophobicContact CD1-CD2 4.25Å; Y42-Y47 HydrophobicContact CD1-CE2 4.33Å; Y42-Y47 WeakPolarHBondContact O-CD2 3.26Å
43G69.8Low76.6Confident29 Ų2996.4 Ų96.430%0.29945%0.45SS..  trans82.8149.5178.400000113.5W38 Y45W38-G43 PolarHBondContact O-N 2.89Å; W38-G43 VanDerWaalsContact O-N 3.09Å; G43-Y45 PolarHBondContact O-N 3.26Å
44F68.6Low76.4Confident104 Ų10496.8 Ų96.846%0.45645%0.449SS..THydrogen-bonded Turntrans-62.4-42.9-165.1-169.6-96.2000114.9W38W38-F44 AromaticContact CH2-CD2 3.62Å; W38-F44 HydrophobicContact CH2-CD2 3.62Å; W38-F44 AromaticContact CH2-CE2 3.3Å; W38-F44 HydrophobicContact CH2-CE2 3.3Å; W38-F44 HydrophobicContact CH2-CZ 4.14Å; W38-F44 AromaticContact CZ2-CD2 3.52Å; W38-F44 HydrophobicContact CZ2-CD2 3.52Å; W38-F44 AromaticContact CZ2-CE2 3.59Å; W38-F44 HydrophobicContact CZ2-CE2 3.59Å; W38-F44 HydrophobicContact CZ2-CG 4.2Å; W38-F44 HydrophobicContact CZ2-CZ 4.3Å; W38-F44 HydrophobicContact CZ3-CD2 4.37Å; W38-F44 HydrophobicContact CZ3-CE2 4.18Å
45Y69.4Low76.4Confident205 Ų20598.6 Ų98.680%0.80446%0.457SS*.THydrogen-bonded Turntrans-95.5-25.5-171.2-69.6-76000114.8G43G43-Y45 PolarHBondContact O-N 3.26Å
46A67.2Low76.2Confident74 Ų7496.5 Ų96.561%0.61246%0.459SS*.THydrogen-bonded Turntrans-74.5-31.5-167.900000113.8
47Y68.8Low76.2Confident110 Ų11095.8 Ų95.843%0.43146%0.464SS..THydrogen-bonded Turntrans-133.133.4-171.7-58.4-82.9000113Y42 E49 E50 F51Y42-Y47 HydrophobicContact CD1-CD2 4.25Å; Y42-Y47 HydrophobicContact CD1-CE2 4.33Å; Y42-Y47 WeakPolarHBondContact O-CD2 3.26Å; Y47-E49 VanDerWaalsContact C-N 3.34Å; Y47-E49 PolarHBondContact O-N 3.39Å; Y47-E50 VanDerWaalsContact CD1-OE2 3.31Å; Y47-E50 WeakPolarHBondContact CD1-OE2 3.42Å; Y47-E50 PolarHBondContact O-N 2.81Å; Y47-F51 PolarHBondContact O-N 2.73Å; Y47-F51 VanDerWaalsContact O-N 3.12Å
48F77Confident76.4Confident111 Ų11193.8 Ų93.849%0.48745%0.453SS..Hα-helixtrans-58-43.2-177.2-179.8-103.2000112.9W38 F51 C52W38-F48 HydrophobicContact CZ2-CD2 4.01Å; W38-F48 HydrophobicContact CZ2-CE2 4.43Å; F48-F51 PolarHBondContact O-N 3.05Å; F48-C52 PolarHBondContact O-N 3.31Å; F48-C52 PolarHBondContact O-SG 3.38Å
49E72.8Confident76.8Confident162 Ų16293.6 Ų93.676%0.75746%0.459SS*.Hα-helixtrans-65-44.2-179.5-64.4-176.7174.200112.6Y47 F51 C52 M53Y47-E49 VanDerWaalsContact C-N 3.34Å; Y47-E49 PolarHBondContact O-N 3.39Å; E49-F51 VanDerWaalsContact C-N 3.29Å; E49-F51 PolarHBondContact O-N 3.21Å; E49-C52 PolarHBondContact O-N 3.25Å; E49-M53 WeakPolarHBondContact O-CG 3.48Å; E49-M53 PolarHBondContact O-N 3.27Å
50E74.7Confident77.1Confident106 Ų10692.4 Ų92.450%0.49546%0.455SS..Hα-helixtrans-62.5-39.1177.4-62.7-174.4167.900111.3Y47 M53 I54Y47-E50 VanDerWaalsContact CD1-OE2 3.31Å; Y47-E50 WeakPolarHBondContact CD1-OE2 3.42Å; Y47-E50 PolarHBondContact O-N 2.81Å; E50-M53 PolarHBondContact O-N 3.24Å; E50-I54 WeakPolarHBondContact O-CG1 3.44Å; E50-I54 PolarHBondContact O-N 3.03Å
51F79.6Confident77.6Confident18 Ų1890 Ų908%0.07945%0.448CS..Hα-helixtrans-63.7-45.9175.1175.5-103.7000112.3T34 F35 W38 Y47 F48 E49 M53 I54 L55T34-F51 HydrophobicContact CG2-CD2 3.91Å; T34-F51 HydrophobicContact CG2-CE2 3.76Å; F35-F51 HydrophobicContact CD2-CZ 4.11Å; W38-F51 HydrophobicContact CB-CD2 3.52Å; W38-F51 HydrophobicContact CB-CE2 3.6Å; W38-F51 HydrophobicContact CB-CG 4.22Å; W38-F51 HydrophobicContact CB-CZ 4.35Å; W38-F51 AromaticContact CD1-CG 3.86Å; W38-F51 AromaticContact CD2-CD1 3.87Å; W38-F51 HydrophobicContact CD2-CD1 3.87Å; W38-F51 HydrophobicContact CD2-CD2 4.04Å; W38-F51 AromaticContact CD2-CE1 3.84Å; W38-F51 HydrophobicContact CD2-CE1 3.84Å; W38-F51 HydrophobicContact CD2-CE2 4.01Å; W38-F51 AromaticContact CD2-CG 3.96Å; W38-F51 HydrophobicContact CD2-CG 3.96Å; W38-F51 AromaticContact CD2-CZ 3.92Å; W38-F51 HydrophobicContact CD2-CZ 3.92Å; W38-F51 AromaticContact CE2-CD1 3.95Å; W38-F51 HydrophobicContact CE3-CD1 4.22Å; W38-F51 AromaticContact CE3-CE1 3.7Å; W38-F51 HydrophobicContact CE3-CE1 3.7Å; W38-F51 HydrophobicContact CE3-CE2 4.08Å; W38-F51 AromaticContact CE3-CZ 3.63Å; W38-F51 HydrophobicContact CE3-CZ 3.63Å; W38-F51 HydrophobicContact CG-CB 4.31Å; W38-F51 HydrophobicContact CG-CD1 4.19Å; W38-F51 AromaticContact CG-CD2 3.58Å; W38-F51 HydrophobicContact CG-CD2 3.58Å; W38-F51 HydrophobicContact CG-CE1 4.4Å; W38-F51 AromaticContact CG-CE2 3.84Å; W38-F51 HydrophobicContact CG-CE2 3.84Å; W38-F51 AromaticContact CG-CG 3.76Å; W38-F51 HydrophobicContact CG-CG 3.76Å; W38-F51 HydrophobicContact CG-CZ 4.25Å; W38-F51 HydrophobicContact CH2-CE1 4.33Å; W38-F51 HydrophobicContact CZ2-CD1 4.35Å; W38-F51 HydrophobicContact CZ2-CE1 4.48Å; W38-F51 AromaticContact CZ3-CE1 3.96Å; W38-F51 HydrophobicContact CZ3-CE1 3.96Å; W38-F51 HydrophobicContact CZ3-CZ 4.22Å; Y47-F51 PolarHBondContact O-N 2.73Å; Y47-F51 VanDerWaalsContact O-N 3.12Å; F48-F51 PolarHBondContact O-N 3.05Å; E49-F51 VanDerWaalsContact C-N 3.29Å; E49-F51 PolarHBondContact O-N 3.21Å; F51-M53 VanDerWaalsContact C-N 3.27Å; F51-M53 PolarHBondContact O-N 3.32Å; F51-I54 PolarHBondContact O-N 3.34Å; F51-L55 HydrophobicContact CD1-CD1 3.92Å; F51-L55 HydrophobicContact CD1-CG 4.42Å; F51-L55 HydrophobicContact CE1-CD1 3.27Å; F51-L55 HydrophobicContact CE1-CG 3.98Å; F51-L55 HydrophobicContact CE2-CD1 4.33Å; F51-L55 HydrophobicContact CE2-CD2 4.43Å; F51-L55 HydrophobicContact CE2-CG 4.22Å; F51-L55 HydrophobicContact CZ-CD1 3.51Å; F51-L55 HydrophobicContact CZ-CD2 4.13Å; F51-L55 HydrophobicContact CZ-CG 3.86Å; F51-L55 PolarHBondContact O-N 2.99Å
52C77.9Confident78.4Confident53 Ų5382.7 Ų82.736%0.35842%0.423SS..Hα-helixtrans-58.4-39.2175.1-740000112.2F48 E49 L55 A56F48-C52 PolarHBondContact O-N 3.31Å; F48-C52 PolarHBondContact O-SG 3.38Å; E49-C52 PolarHBondContact O-N 3.25Å; C52-L55 PolarHBondContact O-N 3.45Å; C52-A56 WeakPolarHBondContact O-CB 3.35Å; C52-A56 PolarHBondContact O-N 3.32Å
53M76.1Confident79.1Confident77 Ų7780.4 Ų80.438%0.37942%0.422SS..Hα-helixtrans-65-43.4176.4-73.5-64.1-68.400112.7E49 E50 F51 L55 A56 L57 Y409 L412E49-M53 WeakPolarHBondContact O-CG 3.48Å; E49-M53 PolarHBondContact O-N 3.27Å; E50-M53 PolarHBondContact O-N 3.24Å; F51-M53 VanDerWaalsContact C-N 3.27Å; F51-M53 PolarHBondContact O-N 3.32Å; M53-L55 VanDerWaalsContact C-N 3.34Å; M53-A56 PolarHBondContact O-N 3.42Å; M53-L57 WeakPolarHBondContact O-CB 3.41Å; M53-L57 PolarHBondContact O-N 2.9Å; M53-Y409 HydrophobicContact CE-CD2 3.93Å; M53-Y409 HydrophobicContact CE-CE2 4.27Å; M53-Y409 HydrophobicContact SD-CD2 3.62Å; M53-Y409 HydrophobicContact SD-CE2 3.77Å; M53-L412 HydrophobicContact CE-CD2 3.9Å
54I82.8Confident80Confident80 Ų8082.5 Ų82.541%0.4143%0.426SS..Hα-helixtrans-64.1-41.6176.7-64.2165.1000110.4T34 E50 F51 L57 L58T34-I54 HydrophobicContact CG2-CB 4.21Å; T34-I54 HydrophobicContact CG2-CG2 3.56Å; E50-I54 WeakPolarHBondContact O-CG1 3.44Å; E50-I54 PolarHBondContact O-N 3.03Å; F51-I54 PolarHBondContact O-N 3.34Å; I54-L57 PolarHBondContact O-N 3.28Å; I54-L58 HydrophobicContact CG2-CD1 4.15Å; I54-L58 HydrophobicContact CG2-CG 4.44Å; I54-L58 WeakPolarHBondContact O-CB 3.29Å; I54-L58 WeakPolarHBondContact O-CG 3.32Å; I54-L58 PolarHBondContact O-N 3.05Å
55L85.1Confident80.8Confident56 Ų5678.2 Ų78.229%0.29341%0.41SS..Hα-helixtrans-61.3-44.3175-75.9-177.9000112.3Y31 F51 C52 M53 L57 L58 G59Y31-L55 HydrophobicContact CD1-CD2 3.64Å; Y31-L55 HydrophobicContact CE1-CD2 3.95Å; F51-L55 HydrophobicContact CD1-CD1 3.92Å; F51-L55 HydrophobicContact CD1-CG 4.42Å; F51-L55 HydrophobicContact CE1-CD1 3.27Å; F51-L55 HydrophobicContact CE1-CG 3.98Å; F51-L55 HydrophobicContact CE2-CD1 4.33Å; F51-L55 HydrophobicContact CE2-CD2 4.43Å; F51-L55 HydrophobicContact CE2-CG 4.22Å; F51-L55 HydrophobicContact CZ-CD1 3.51Å; F51-L55 HydrophobicContact CZ-CD2 4.13Å; F51-L55 HydrophobicContact CZ-CG 3.86Å; F51-L55 PolarHBondContact O-N 2.99Å; C52-L55 PolarHBondContact O-N 3.45Å; M53-L55 VanDerWaalsContact C-N 3.34Å; L55-L57 VanDerWaalsContact C-N 3.35Å; L55-L58 PolarHBondContact O-N 2.81Å; L55-G59 PolarHBondContact O-N 3.27Å
56A82Confident81.7Confident57 Ų5771.1 Ų71.147%0.47139%0.387SS..Hα-helixtrans-61.3-44176.500000111.3C52 M53 G59 V60C52-A56 WeakPolarHBondContact O-CB 3.35Å; C52-A56 PolarHBondContact O-N 3.32Å; M53-A56 PolarHBondContact O-N 3.42Å; A56-G59 PolarHBondContact O-N 3.34Å; A56-V60 WeakPolarHBondContact O-CG2 3.2Å; A56-V60 PolarHBondContact O-N 2.95Å
57L84Confident82.7Confident121 Ų12168.9 Ų68.963%0.63437%0.365SS*.Hα-helixtrans-62.4-43.7176.9-176.168.7000112.1M53 I54 L55 G59 V60 L61M53-L57 WeakPolarHBondContact O-CB 3.41Å; M53-L57 PolarHBondContact O-N 2.9Å; I54-L57 PolarHBondContact O-N 3.28Å; L55-L57 VanDerWaalsContact C-N 3.35Å; L57-G59 VanDerWaalsContact C-N 3.3Å; L57-G59 PolarHBondContact O-N 3.17Å; L57-V60 PolarHBondContact O-N 2.86Å; L57-L61 WeakPolarHBondContact O-CB 3.49Å; L57-L61 PolarHBondContact O-N 3.43Å
58L88.6Confident83.6Confident24 Ų2466.2 Ų66.213%0.12636%0.358CS..Hα-helixtrans-60.9-41.3174.1-75.1172.4000111.4A30 Y31 T34 I54 L55 L61 Q62A30-L58 HydrophobicContact CB-CD1 4.32Å; A30-L58 HydrophobicContact CB-CD2 3.71Å; Y31-L58 HydrophobicContact CD1-CB 4.39Å; Y31-L58 HydrophobicContact CD1-CD1 4Å; Y31-L58 HydrophobicContact CE1-CB 3.73Å; Y31-L58 HydrophobicContact CE1-CD1 4.18Å; T34-L58 WeakPolarHBondContact OG1-CD1 3.23Å; I54-L58 HydrophobicContact CG2-CD1 4.15Å; I54-L58 HydrophobicContact CG2-CG 4.44Å; I54-L58 WeakPolarHBondContact O-CB 3.29Å; I54-L58 WeakPolarHBondContact O-CG 3.32Å; I54-L58 PolarHBondContact O-N 3.05Å; L55-L58 PolarHBondContact O-N 2.81Å; L58-L61 PolarHBondContact O-N 3.23Å; L58-Q62 VanDerWaalsContact O-CB 3.3Å; L58-Q62 WeakPolarHBondContact O-CB 3.45Å; L58-Q62 PolarHBondContact O-N 3.39Å
59G87.6Confident84Confident21 Ų2161.4 Ų61.422%0.21634%0.338CS..Hα-helixtrans-60.3-47.4174.400000112.5Y31 L55 A56 L57 Q62 T63Y31-G59 WeakPolarHBondContact OH-CA 3.46Å; Y31-G59 PolarHBondContact OH-N 3.41Å; L55-G59 PolarHBondContact O-N 3.27Å; A56-G59 PolarHBondContact O-N 3.34Å; L57-G59 VanDerWaalsContact C-N 3.3Å; L57-G59 PolarHBondContact O-N 3.17Å; G59-Q62 WeakPolarHBondContact O-CB 3.45Å; G59-Q62 PolarHBondContact O-N 3.11Å; G59-T63 WeakPolarHBondContact O-CG2 3.23Å; G59-T63 PolarHBondContact O-N 3.47Å; G59-T63 PolarHBondContact O-OG1 3.17Å
60V84.9Confident84.6Confident56 Ų5658 Ų5834%0.33932%0.324SS..Hα-helixtrans-63.6-42.5176.6172.60000111.5A56 L57 Q62 T63 I64A56-V60 WeakPolarHBondContact O-CG2 3.2Å; A56-V60 PolarHBondContact O-N 2.95Å; L57-V60 PolarHBondContact O-N 2.86Å; V60-Q62 VanDerWaalsContact C-N 3.3Å; V60-Q62 PolarHBondContact O-N 3.49Å; V60-T63 WeakPolarHBondContact CA-OG1 3.09Å; V60-T63 PolarHBondContact O-N 3.28Å; V60-T63 PolarHBondContact O-OG1 3.44Å; V60-I64 HydrophobicContact CG1-CD1 3.83Å; V60-I64 HydrophobicContact CG1-CG1 4.48Å; V60-I64 WeakPolarHBondContact O-CB 3.32Å; V60-I64 VanDerWaalsContact O-CG1 3.25Å; V60-I64 WeakPolarHBondContact O-CG1 3.48Å; V60-I64 PolarHBondContact O-N 2.84Å
61L87.5Confident85Confident96 Ų9656.5 Ų56.550%0.50331%0.314SS..Hα-helixtrans-66-36.3178-174.367.8000111.4F27 L57 L58 A65F27-L61 HydrophobicContact CE1-CB 3.81Å; F27-L61 HydrophobicContact CE1-CD2 3.8Å; F27-L61 HydrophobicContact CE1-CG 3.63Å; F27-L61 HydrophobicContact CZ-CB 4.35Å; F27-L61 HydrophobicContact CZ-CD2 4.17Å; F27-L61 HydrophobicContact CZ-CG 3.8Å; F27-L61 WeakPolarHBondContact CZ-O 3.24Å; L57-L61 WeakPolarHBondContact O-CB 3.49Å; L57-L61 PolarHBondContact O-N 3.43Å; L58-L61 PolarHBondContact O-N 3.23Å; L61-A65 WeakPolarHBondContact O-CB 3.42Å; L61-A65 PolarHBondContact O-N 3.45Å
62Q89.8Confident85.1Confident49 Ų4960.5 Ų60.523%0.22933%0.332CS..Hα-helixtrans-66.3-45.3174.9-173.4-177.21.100111.5F27 Y31 L58 G59 V60 I64 A65 V66F27-Q62 HydrophobicContact CB-CG 4.39Å; F27-Q62 HydrophobicContact CD1-CB 3.66Å; F27-Q62 HydrophobicContact CD1-CG 4.23Å; F27-Q62 HydrophobicContact CD2-CB 4.48Å; F27-Q62 HydrophobicContact CD2-CG 4.33Å; F27-Q62 VanDerWaalsContact CE1-CA 3.49Å; F27-Q62 HydrophobicContact CE1-CB 3.81Å; F27-Q62 VanDerWaalsContact CE1-N 3.25Å; F27-Q62 HydrophobicContact CG-CB 4.01Å; F27-Q62 HydrophobicContact CG-CG 4.05Å; F27-Q62 HydrophobicContact CZ-CB 4.28Å; Y31-Q62 PolarHBondContact OH-OE1 3.31Å; L58-Q62 VanDerWaalsContact O-CB 3.3Å; L58-Q62 WeakPolarHBondContact O-CB 3.45Å; L58-Q62 PolarHBondContact O-N 3.39Å; G59-Q62 WeakPolarHBondContact O-CB 3.45Å; G59-Q62 PolarHBondContact O-N 3.11Å; V60-Q62 VanDerWaalsContact C-N 3.3Å; V60-Q62 PolarHBondContact O-N 3.49Å; Q62-I64 PolarHBondContact O-N 2.9Å; Q62-A65 PolarHBondContact O-N 2.85Å; Q62-V66 WeakPolarHBondContact O-CG2 3.34Å; Q62-V66 PolarHBondContact O-N 3.43Å
63T87.5Confident85.4Confident79 Ų7960.4 Ų60.449%0.48533%0.327SS..Hα-helixtrans-63.7-41.7177.755.90000111.2G59 V60 A65 V66 L67G59-T63 WeakPolarHBondContact O-CG2 3.23Å; G59-T63 PolarHBondContact O-N 3.47Å; G59-T63 PolarHBondContact O-OG1 3.17Å; V60-T63 WeakPolarHBondContact CA-OG1 3.09Å; V60-T63 PolarHBondContact O-N 3.28Å; V60-T63 PolarHBondContact O-OG1 3.44Å; T63-A65 PolarHBondContact O-N 3.17Å; T63-V66 PolarHBondContact O-N 3.27Å; T63-L67 WeakPolarHBondContact O-CB 3.31Å; T63-L67 VanDerWaalsContact O-CG 3.25Å; T63-L67 WeakPolarHBondContact O-CG 3.46Å; T63-L67 PolarHBondContact O-N 3Å
64I87.5Confident85.7Confident73 Ų7360.7 Ų60.737%0.37434%0.336SS..Hα-helixtrans-60.1-44.1173.6-68.7167.8000111.1V60 Q62 V66 L67 L68V60-I64 HydrophobicContact CG1-CD1 3.83Å; V60-I64 HydrophobicContact CG1-CG1 4.48Å; V60-I64 WeakPolarHBondContact O-CB 3.32Å; V60-I64 VanDerWaalsContact O-CG1 3.25Å; V60-I64 WeakPolarHBondContact O-CG1 3.48Å; V60-I64 PolarHBondContact O-N 2.84Å; Q62-I64 PolarHBondContact O-N 2.9Å; I64-V66 VanDerWaalsContact C-N 3.3Å; I64-V66 PolarHBondContact O-N 3.36Å; I64-L67 PolarHBondContact O-N 3.31Å; I64-L68 HydrophobicContact CG2-CD1 3.89Å; I64-L68 HydrophobicContact CG2-CG 4.22Å; I64-L68 WeakPolarHBondContact O-CB 3.42Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.21Å; I64-L68 PolarHBondContact O-N 2.98Å
65A86.6Confident85.7Confident15 Ų1559.3 Ų59.312%0.12433%0.33CS..Hα-helixtrans-61.4-37.8177.800000112.5F27 L61 Q62 T63 C69F27-A65 HydrophobicContact CE2-CB 3.87Å; F27-A65 HydrophobicContact CZ-CB 3.97Å; L61-A65 WeakPolarHBondContact O-CB 3.42Å; L61-A65 PolarHBondContact O-N 3.45Å; Q62-A65 PolarHBondContact O-N 2.85Å; T63-A65 PolarHBondContact O-N 3.17Å; A65-C69 PolarHBondContact O-N 3.49Å; A65-C69 PolarHBondContact O-SG 2.89Å
66V88.7Confident85.7Confident55 Ų5562.2 Ų62.233%0.33334%0.336SS..Hα-helixtrans-68-45.8174.5172.70000111.1Y23 Q62 T63 I64 L68 C69 I70Y23-V66 HydrophobicContact CD2-CG2 3.64Å; Y23-V66 HydrophobicContact CE2-CG2 4.17Å; Y23-V66 HydrophobicContact CG-CG2 3.94Å; Q62-V66 WeakPolarHBondContact O-CG2 3.34Å; Q62-V66 PolarHBondContact O-N 3.43Å; T63-V66 PolarHBondContact O-N 3.27Å; I64-V66 VanDerWaalsContact C-N 3.3Å; I64-V66 PolarHBondContact O-N 3.36Å; V66-L68 VanDerWaalsContact C-N 3.35Å; V66-L68 PolarHBondContact O-N 3.43Å; V66-C69 VanDerWaalsContact O-CB 3.28Å; V66-C69 WeakPolarHBondContact O-CB 3.3Å; V66-C69 PolarHBondContact O-N 3.23Å; V66-C69 VanDerWaalsContact O-N 3.1Å; V66-I70 PolarHBondContact O-N 3.33Å
67L88Confident85.9Confident28 Ų2859.7 Ų59.715%0.14732%0.315CS..Hα-helixtrans-63.1-39.4178.8-72.2165.6000112.4T63 I64 C69 I70 W71 V198T63-L67 WeakPolarHBondContact O-CB 3.31Å; T63-L67 VanDerWaalsContact O-CG 3.25Å; T63-L67 WeakPolarHBondContact O-CG 3.46Å; T63-L67 PolarHBondContact O-N 3Å; I64-L67 PolarHBondContact O-N 3.31Å; L67-C69 PolarHBondContact O-N 3.29Å; L67-I70 WeakPolarHBondContact O-CA 3.39Å; L67-I70 WeakPolarHBondContact O-CB 3.27Å; L67-I70 PolarHBondContact O-N 2.9Å; L67-W71 HydrophobicContact CB-CD2 4.34Å; L67-W71 HydrophobicContact CB-CH2 3.87Å; L67-W71 HydrophobicContact CB-CZ2 3.67Å; L67-W71 HydrophobicContact CB-CZ3 4.29Å; L67-W71 HydrophobicContact CD1-CH2 4.23Å; L67-W71 HydrophobicContact CD1-CZ2 4.11Å; L67-W71 HydrophobicContact CD2-CZ2 4.15Å; L67-W71 HydrophobicContact CG-CZ2 4.2Å; L67-W71 VanDerWaalsContact O-CG 3.25Å; L67-W71 PolarHBondContact O-N 3.38Å; L67-V198 HydrophobicContact CD1-CG1 3.7Å; L67-V198 HydrophobicContact CD2-CG2 4.19Å
68L86.8Confident86Confident53 Ų5361.6 Ų61.628%0.27732%0.319SS..Hα-helixtrans-60-31.4174.2-75170.1000112.5I64 V66 I70 W71 F72 I75I64-L68 HydrophobicContact CG2-CD1 3.89Å; I64-L68 HydrophobicContact CG2-CG 4.22Å; I64-L68 WeakPolarHBondContact O-CB 3.42Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.21Å; I64-L68 PolarHBondContact O-N 2.98Å; V66-L68 VanDerWaalsContact C-N 3.35Å; V66-L68 PolarHBondContact O-N 3.43Å; L68-I70 VanDerWaalsContact C-N 3.31Å; L68-W71 HydrophobicContact CD2-CE3 3.92Å; L68-W71 HydrophobicContact CD2-CZ3 4.25Å; L68-W71 HydrophobicContact CG-CE3 4.43Å; L68-F72 HydrophobicContact CD2-CD2 3.98Å; L68-F72 HydrophobicContact CD2-CE2 4.01Å; L68-F72 PolarHBondContact O-N 3.34Å; L68-I75 HydrophobicContact CB-CD1 4.45Å; L68-I75 HydrophobicContact CB-CG2 4.29Å; L68-I75 HydrophobicContact CD2-CD1 4.34Å
69C85.9Confident85.8Confident11 Ų1162 Ų627%0.07432%0.321CS..Hα-helixtrans-69.1-29.2172.5-630000112.6A65 V66 L67 R76 L79A65-C69 PolarHBondContact O-N 3.49Å; A65-C69 PolarHBondContact O-SG 2.89Å; V66-C69 VanDerWaalsContact O-CB 3.28Å; V66-C69 WeakPolarHBondContact O-CB 3.3Å; V66-C69 PolarHBondContact O-N 3.23Å; V66-C69 VanDerWaalsContact O-N 3.1Å; L67-C69 PolarHBondContact O-N 3.29Å; C69-R76 HydrophobicContact CB-CB 4.2Å; C69-R76 HydrophobicContact CB-CG 4.29Å; C69-R76 WeakPolarHBondContact O-CB 3.32Å; C69-L79 VanDerWaalsContact SG-CD1 3.58Å
70I85Confident85.7Confident90 Ų9061.5 Ų61.546%0.46231%0.314SS..Hα-helixtrans-77.4-44.2176.5-60.9173.4000109.6V66 L67 L68 T193V66-I70 PolarHBondContact O-N 3.33Å; L67-I70 WeakPolarHBondContact O-CA 3.39Å; L67-I70 WeakPolarHBondContact O-CB 3.27Å; L67-I70 PolarHBondContact O-N 2.9Å; L68-I70 VanDerWaalsContact C-N 3.31Å; I70-T193 HydrophobicContact CD1-CG2 4.46Å
71W82.3Confident85.8Confident75 Ų7559.1 Ų59.128%0.28430%0.299SS..Hα-helixtrans-72.7-37.2-176.2-57.2-23.5000113.5L67 L68 T193 P195 V198L67-W71 HydrophobicContact CB-CD2 4.34Å; L67-W71 HydrophobicContact CB-CH2 3.87Å; L67-W71 HydrophobicContact CB-CZ2 3.67Å; L67-W71 HydrophobicContact CB-CZ3 4.29Å; L67-W71 HydrophobicContact CD1-CH2 4.23Å; L67-W71 HydrophobicContact CD1-CZ2 4.11Å; L67-W71 HydrophobicContact CD2-CZ2 4.15Å; L67-W71 HydrophobicContact CG-CZ2 4.2Å; L67-W71 VanDerWaalsContact O-CG 3.25Å; L67-W71 PolarHBondContact O-N 3.38Å; L68-W71 HydrophobicContact CD2-CE3 3.92Å; L68-W71 HydrophobicContact CD2-CZ3 4.25Å; L68-W71 HydrophobicContact CG-CE3 4.43Å; W71-T193 PolarHBondContact NE1-O 3.37Å; W71-P195 HydrophobicContact CD2-CB 4.23Å; W71-P195 HydrophobicContact CD2-CG 3.75Å; W71-P195 HydrophobicContact CE3-CB 4.46Å; W71-P195 HydrophobicContact CE3-CG 4.31Å; W71-P195 HydrophobicContact CG-CG 3.9Å; W71-P195 HydrophobicContact CH2-CB 4.2Å; W71-P195 HydrophobicContact CZ2-CB 3.93Å; W71-P195 HydrophobicContact CZ2-CG 4.2Å; W71-P195 HydrophobicContact CZ3-CB 4.46Å; W71-V198 HydrophobicContact CZ2-CB 4.46Å
72F83.2Confident85.7Confident102 Ų10257 Ų5745%0.44729%0.293SS..  trans-126.5111-174.7-59.5-74.3000111.5L68 S74 I75 R76L68-F72 HydrophobicContact CD2-CD2 3.98Å; L68-F72 HydrophobicContact CD2-CE2 4.01Å; L68-F72 PolarHBondContact O-N 3.34Å; F72-S74 VanDerWaalsContact C-N 3.27Å; F72-S74 PolarHBondContact O-N 3.44Å; F72-I75 HydrophobicContact CB-CB 3.95Å; F72-I75 HydrophobicContact CB-CD1 3.73Å; F72-I75 HydrophobicContact CB-CG1 3.7Å; F72-I75 HydrophobicContact CD2-CD1 3.71Å; F72-I75 HydrophobicContact CG-CD1 3.95Å; F72-I75 HydrophobicContact CG-CG1 4.41Å; F72-I75 PolarHBondContact O-N 3.17Å; F72-I75 VanDerWaalsContact O-N 3.1Å; F72-R76 PolarHBondContact O-N 3.02Å
73I83Confident85.5Confident51 Ų5160.8 Ų60.826%0.26231%0.31SS..Hα-helixtrans-66-31.8179.6-65.9161.9000111.8I75 R76 C77 M94 A104 L106I73-I75 VanDerWaalsContact C-N 3.33Å; I73-I75 PolarHBondContact O-N 2.87Å; I73-R76 WeakPolarHBondContact O-CB 3.38Å; I73-R76 PolarHBondContact O-N 2.93Å; I73-C77 WeakPolarHBondContact O-CB 3.04Å; I73-C77 PolarHBondContact O-N 3.49Å; I73-C77 PolarHBondContact O-SG 2.96Å; I73-M94 HydrophobicContact CG2-CG 4.31Å; I73-M94 HydrophobicContact CG2-SD 4.46Å; I73-A104 WeakPolarHBondContact CD1-O 3.28Å; I73-L106 HydrophobicContact CG2-CB 4.37Å
74S83.4Confident85.4Confident82 Ų8258.2 Ų58.257%0.57329%0.294SS*.Hα-helixtrans-61.2-42.2172.751.20000112F72 C77 F78F72-S74 VanDerWaalsContact C-N 3.27Å; F72-S74 PolarHBondContact O-N 3.44Å; S74-C77 PolarHBondContact O-N 3.49Å; S74-F78 WeakPolarHBondContact O-CB 3.32Å; S74-F78 PolarHBondContact O-N 3.01Å
75I83.4Confident85Confident52 Ų5265.8 Ų65.827%0.26732%0.319SS..Hα-helixtrans-69.9-41.6176.7-59.9-177.6000110.2L68 F72 I73 C77 F78 L79L68-I75 HydrophobicContact CB-CD1 4.45Å; L68-I75 HydrophobicContact CB-CG2 4.29Å; L68-I75 HydrophobicContact CD2-CD1 4.34Å; F72-I75 HydrophobicContact CB-CB 3.95Å; F72-I75 HydrophobicContact CB-CD1 3.73Å; F72-I75 HydrophobicContact CB-CG1 3.7Å; F72-I75 HydrophobicContact CD2-CD1 3.71Å; F72-I75 HydrophobicContact CG-CD1 3.95Å; F72-I75 HydrophobicContact CG-CG1 4.41Å; F72-I75 PolarHBondContact O-N 3.17Å; F72-I75 VanDerWaalsContact O-N 3.1Å; I73-I75 VanDerWaalsContact C-N 3.33Å; I73-I75 PolarHBondContact O-N 2.87Å; I75-C77 PolarHBondContact O-N 3.07Å; I75-F78 WeakPolarHBondContact O-CB 3.48Å; I75-F78 PolarHBondContact O-N 2.75Å; I75-F78 VanDerWaalsContact O-N 3.14Å; I75-L79 HydrophobicContact CG2-CD1 3.64Å; I75-L79 HydrophobicContact CG2-CG 4.09Å; I75-L79 WeakPolarHBondContact O-CG 3.29Å; I75-L79 PolarHBondContact O-N 2.87Å
76R85Confident84.7Confident116 Ų11668.7 Ų68.744%0.43833%0.332SS..Hα-helixtrans-54.6-52.1172.2-171.7176.3172.6-176.9-2.5111.1C69 F72 I73 F78 L79 T80C69-R76 HydrophobicContact CB-CB 4.2Å; C69-R76 HydrophobicContact CB-CG 4.29Å; C69-R76 WeakPolarHBondContact O-CB 3.32Å; F72-R76 PolarHBondContact O-N 3.02Å; I73-R76 WeakPolarHBondContact O-CB 3.38Å; I73-R76 PolarHBondContact O-N 2.93Å; R76-F78 PolarHBondContact O-N 2.93Å; R76-L79 PolarHBondContact O-N 3.41Å; R76-T80 PolarHBondContact O-N 3.2Å; R76-T80 PolarHBondContact O-OG1 3.37Å
77C84.5Confident84Confident4 Ų466.9 Ų66.93%0.02732%0.321CS..Hα-helixtrans-60.2-36.3178.6-66.40000112Y13 I73 S74 I75 C81Y13-C77 HydrophobicContact CE1-CB 4.06Å; Y13-C77 HydrophobicContact CE2-CB 4.39Å; I73-C77 WeakPolarHBondContact O-CB 3.04Å; I73-C77 PolarHBondContact O-N 3.49Å; I73-C77 PolarHBondContact O-SG 2.96Å; S74-C77 PolarHBondContact O-N 3.49Å; I75-C77 PolarHBondContact O-N 3.07Å; C77-C81 CarbonylContact O-C 3.56Å; C77-C81 WeakPolarHBondContact O-CA 3.48Å; C77-C81 VanDerWaalsContact O-CB 3.26Å; C77-C81 WeakPolarHBondContact O-CB 3.26Å; C77-C81 PolarHBondContact O-N 2.97Å; C77-C81 VanDerWaalsContact O-O 3.13Å
78F85.9Confident83.5Confident161 Ų16168.5 Ų68.571%0.70633%0.334SS*.Hα-helixtrans-68.1-46.4175.9179.8-103.9000112.9S74 I75 R76S74-F78 WeakPolarHBondContact O-CB 3.32Å; S74-F78 PolarHBondContact O-N 3.01Å; I75-F78 WeakPolarHBondContact O-CB 3.48Å; I75-F78 PolarHBondContact O-N 2.75Å; I75-F78 VanDerWaalsContact O-N 3.14Å; R76-F78 PolarHBondContact O-N 2.93Å
79L85.4Confident83.2Confident32 Ų3272.3 Ų72.317%0.16835%0.348CS..Hα-helixtrans-81-38-174.3-66.9178.1000113.3G22 C69 I75 R76G22-L79 PolarHBondContact N-O 3.32Å; C69-L79 VanDerWaalsContact SG-CD1 3.58Å; I75-L79 HydrophobicContact CG2-CD1 3.64Å; I75-L79 HydrophobicContact CG2-CG 4.09Å; I75-L79 WeakPolarHBondContact O-CG 3.29Å; I75-L79 PolarHBondContact O-N 2.87Å; R76-L79 PolarHBondContact O-N 3.41Å
80T85Confident83Confident11 Ų1171.8 Ų71.87%0.06735%0.345CS..Hα-helixtrans-104.5-17.4-172.866.70000114.1K16 Y23 R76K16-T80 VanDerWaalsContact CB-O 3.32Å; K16-T80 WeakPolarHBondContact CB-O 3.4Å; K16-T80 WeakPolarHBondContact CG-O 3.14Å; K16-T80 PolarHBondContact N-O 3.44Å; Y23-T80 HydrophobicContact CD1-CG2 4.15Å; Y23-T80 HydrophobicContact CE1-CG2 3.65Å; R76-T80 PolarHBondContact O-N 3.2Å; R76-T80 PolarHBondContact O-OG1 3.37Å
81C86.8Confident83.1Confident6 Ų670.5 Ų70.54%0.04134%0.341CS..EExtended strand (participates in β ladder)trans-120.4158.4-172.6-56.10000112.8Y13 N14 K16 C77Y13-C81 HydrophobicContact CD1-CB 3.71Å; Y13-C81 HydrophobicContact CG-CB 4.11Å; N14-C81 CarbonylContact O-C 3.49Å; N14-C81 WeakPolarHBondContact O-CA 3.47Å; N14-C81 WeakPolarHBondContact O-CB 3.13Å; K16-C81 VanDerWaalsContact CE-O 3.23Å; K16-C81 WeakPolarHBondContact CE-O 3.44Å; K16-C81 PolarHBondContact NZ-O 3.01Å; C77-C81 CarbonylContact O-C 3.56Å; C77-C81 WeakPolarHBondContact O-CA 3.48Å; C77-C81 VanDerWaalsContact O-CB 3.26Å; C77-C81 WeakPolarHBondContact O-CB 3.26Å; C77-C81 PolarHBondContact O-N 2.97Å; C77-C81 VanDerWaalsContact O-O 3.13Å
82S85.9Confident83.3Confident52 Ų5268.1 Ų68.136%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-113.3136.5166.156.20000109.1Y13 N14Y13-S82 CarbonylContact C-O 3.54Å; Y13-S82 VanDerWaalsContact CA-O 3.3Å; Y13-S82 WeakPolarHBondContact CA-O 3.45Å; N14-S82 PolarHBondContact N-O 3Å; N14-S82 PolarHBondContact O-N 3Å
83Q85.6Confident83.5Confident128 Ų12863.2 Ų63.260%0.59831%0.313SS*.EExtended strand (participates in β ladder)trans-74.7132.2179.4-170.4177.8-3.700110Y13Y13-Q83 HydrophobicContact CD1-CB 4.22Å; Y13-Q83 HydrophobicContact CE1-CB 3.88Å; Y13-Q83 HydrophobicContact CE1-CG 4.24Å
84V85.4Confident83.7Confident25 Ų2561.6 Ų61.615%0.15230%0.304CS..  trans-121.4139.9-179.4-177.20000108.7L12 N14 D86 K89 A90L12-V84 WeakPolarHBondContact CB-O 3.32Å; L12-V84 PolarHBondContact O-N 3.16Å; N14-V84 HydrophobicContact CB-CG2 3.91Å; V84-D86 HydrophobicContact CG1-CB 4.37Å; V84-D86 WeakPolarHBondContact CG1-O 3.33Å; V84-K89 HydrophobicContact CG1-CB 3.97Å; V84-A90 HydrophobicContact CB-CB 4.48Å
85R79.9Confident83.9Confident233 Ų23357.7 Ų57.788%0.87928%0.277SS*.SBendtrans-88.8-35.1174.9-65.9-175.7-178.2179.40.6112.4P87R85-P87 WeakPolarHBondContact O-CD 3.37Å
86D78.7Confident83.9Confident76 Ų7657.2 Ų57.241%0.40628%0.276SS..  trans-77.9119.6-179.5-63.1-20.2000111.2V84 C88 K89 A90V84-D86 HydrophobicContact CG1-CB 4.37Å; V84-D86 WeakPolarHBondContact CG1-O 3.33Å; D86-C88 VanDerWaalsContact C-N 3.27Å; D86-C88 PolarHBondContact O-N 3.33Å; D86-K89 HydrophobicContact CB-CB 4.25Å; D86-K89 HydrophobicContact CB-CD 4.24Å; D86-K89 HydrophobicContact CB-CG 4.27Å; D86-K89 PolarHBondContact O-N 3.43Å; D86-K89 IonicContact OD2-NZ 3.67Å; D86-K89 PolarHBondContact OD2-NZ 3.13Å; D86-A90 PolarHBondContact O-N 3.16Å
87P75.9Confident83.8Confident16 Ų1652.2 Ų52.210%0.10426%0.259CS..THydrogen-bonded Turntrans-62.8-33.1176.623.4-31.6000112.7L12 R85 K89 A90 I120 L131L12-P87 HydrophobicContact CD1-CB 3.89Å; R85-P87 WeakPolarHBondContact O-CD 3.37Å; P87-K89 VanDerWaalsContact C-N 3.28Å; P87-K89 PolarHBondContact O-N 3.45Å; P87-A90 PolarHBondContact O-N 2.95Å; P87-I120 HydrophobicContact CB-CD1 4.21Å; P87-L131 HydrophobicContact CB-CD1 4.42Å; P87-L131 HydrophobicContact CB-CD2 3.74Å; P87-L131 HydrophobicContact CG-CD1 4.36Å; P87-L131 HydrophobicContact CG-CD2 3.56Å
88C75.8Confident83.4Confident62 Ų6253 Ų5342%0.41926%0.263SS..THydrogen-bonded Turntrans-65-30.2179.2-57.10000113.4D86 K111D86-C88 VanDerWaalsContact C-N 3.27Å; D86-C88 PolarHBondContact O-N 3.33Å; C88-K111 PolarHBondContact O-NZ 2.87Å
89K80.5Confident82.6Confident133 Ų13349 Ų4958%0.57825%0.254SS*.THydrogen-bonded Turntrans-89-18.3-180-69.6177.7-173.3147.40113N14 V84 D86 P87N14-K89 VanDerWaalsContact CG-O 3.29Å; N14-K89 PolarHBondContact ND2-O 3.11Å; N14-K89 PolarHBondContact OD1-O 2.87Å; V84-K89 HydrophobicContact CG1-CB 3.97Å; D86-K89 HydrophobicContact CB-CB 4.25Å; D86-K89 HydrophobicContact CB-CD 4.24Å; D86-K89 HydrophobicContact CB-CG 4.27Å; D86-K89 PolarHBondContact O-N 3.43Å; D86-K89 IonicContact OD2-NZ 3.67Å; D86-K89 PolarHBondContact OD2-NZ 3.13Å; P87-K89 VanDerWaalsContact C-N 3.28Å; P87-K89 PolarHBondContact O-N 3.45Å
90A82.5Confident81.7Confident0 Ų050 Ų500%026%0.26CS..  trans-74.9147.1-177.700000112L12 N14 V84 D86 P87 L109 K111L12-A90 HydrophobicContact CB-CB 3.89Å; L12-A90 HydrophobicContact CD2-CB 4.16Å; L12-A90 HydrophobicContact CG-CB 4.49Å; N14-A90 VanDerWaalsContact OD1-CA 3.31Å; N14-A90 WeakPolarHBondContact OD1-CA 3.39Å; V84-A90 HydrophobicContact CB-CB 4.48Å; D86-A90 PolarHBondContact O-N 3.16Å; P87-A90 PolarHBondContact O-N 2.95Å; A90-L109 HydrophobicContact CB-CD1 3.59Å; A90-K111 WeakPolarHBondContact O-CE 3.36Å; A90-K111 PolarHBondContact O-NZ 3.35Å
91T86Confident81Confident63 Ų6350.6 Ų50.639%0.38726%0.262SS..SBendtrans-111-24.7173.8560000112.6Y13 N14 L109Y13-T91 PolarHBondContact O-N 3.14Å; Y13-T91 VanDerWaalsContact O-N 3.15Å; N14-T91 WeakPolarHBondContact OD1-CG2 3.31Å; N14-T91 PolarHBondContact OD1-N 3.46Å; N14-T91 PolarHBondContact OD1-OG1 2.95Å; T91-L109 PolarHBondContact O-N 3.29Å
92L87.7Confident80.3Confident25 Ų2550.7 Ų50.713%0.13126%0.264CS..EExtended strand (participates in β ladder)trans-130.6152.2-176.5-60.8172.1000110.6Y13 Q15 L106 V107 P108Y13-L92 PolarHBondContact N-O 3.04Å; Y13-L92 PolarHBondContact O-N 3.37Å; Y13-L92 VanDerWaalsContact O-O 3.06Å; Q15-L92 HydrophobicContact CB-CD1 4Å; L92-L106 HydrophobicContact CB-CD1 4.04Å; L92-L106 HydrophobicContact CB-CG 4.42Å; L92-L106 HydrophobicContact CD1-CD2 4.07Å; L92-L106 HydrophobicContact CD1-CG 4.4Å; L92-V107 WeakPolarHBondContact CA-O 3.46Å; L92-P108 HydrophobicContact CD2-CB 4.35Å
93A87.1Confident79.8Confident0 Ų051.1 Ų51.10%027%0.267CS..EExtended strand (participates in β ladder)trans-129.2126.6173.800000110.1I10 R11 L12 V107 L109 L122I10-A93 HydrophobicContact CG2-CB 4.09Å; R11-A93 CarbonylContact O-C 3.27Å; R11-A93 WeakPolarHBondContact O-CA 3.49Å; L12-A93 HydrophobicContact CD2-CB 4.17Å; A93-V107 PolarHBondContact N-O 3.13Å; A93-V107 PolarHBondContact O-N 3.28Å; A93-L109 HydrophobicContact CB-CD1 4.35Å; A93-L109 HydrophobicContact CB-CD2 4.09Å; A93-L109 HydrophobicContact CB-CG 4.09Å; A93-L122 HydrophobicContact CB-CD2 3.83Å
94M87.8Confident79.7Confident16 Ų1646.5 Ų46.58%0.07925%0.251CS..EExtended strand (participates in β ladder)trans-88.5114.6169.6-173.4-171.376.800108.4R11 Y13 I73 E105 L106R11-M94 HydrophobicContact CB-CE 4.26Å; R11-M94 HydrophobicContact CG-CE 4.3Å; R11-M94 PolarHBondContact N-O 3.49Å; R11-M94 PolarHBondContact O-N 3.34Å; Y13-M94 HydrophobicContact CD2-CB 3.9Å; Y13-M94 HydrophobicContact CE2-CB 3.62Å; Y13-M94 HydrophobicContact CE2-CE 4.47Å; Y13-M94 HydrophobicContact CE2-SD 4.31Å; I73-M94 HydrophobicContact CG2-CG 4.31Å; I73-M94 HydrophobicContact CG2-SD 4.46Å; M94-E105 WeakPolarHBondContact CA-O 3.5Å; M94-L106 HydrophobicContact CB-CD1 4.15Å
95V86.6Confident79.6Confident0 Ų048.6 Ų48.60%026%0.259CS..EExtended strand (participates in β ladder)trans-99.1123.8179.8-172.90000108.8V7 I10 A104 E105 V107 L122 F124V7-V95 HydrophobicContact CB-CG1 4.36Å; V7-V95 HydrophobicContact CG1-CG1 3.68Å; V7-V95 HydrophobicContact CG2-CG1 3.71Å; I10-V95 HydrophobicContact CG1-CG1 4.23Å; I10-V95 HydrophobicContact CG1-CG2 4.29Å; V95-A104 VanDerWaalsContact O-CA 3.22Å; V95-A104 WeakPolarHBondContact O-CA 3.32Å; V95-A104 WeakPolarHBondContact O-CB 3.5Å; V95-E105 PolarHBondContact N-O 3.16Å; V95-E105 PolarHBondContact O-N 2.76Å; V95-V107 HydrophobicContact CG2-CG2 4.32Å; V95-L122 HydrophobicContact CG2-CD1 4.19Å; V95-F124 HydrophobicContact CB-CB 4.48Å; V95-F124 HydrophobicContact CB-CD1 4.49Å; V95-F124 HydrophobicContact CB-CD2 3.63Å; V95-F124 HydrophobicContact CB-CE2 3.89Å; V95-F124 HydrophobicContact CB-CG 3.95Å; V95-F124 HydrophobicContact CB-CZ 4.42Å; V95-F124 HydrophobicContact CG1-CB 4.21Å; V95-F124 HydrophobicContact CG1-CD1 3.67Å; V95-F124 HydrophobicContact CG1-CD2 3.73Å; V95-F124 HydrophobicContact CG1-CE1 3.88Å; V95-F124 HydrophobicContact CG1-CE2 3.94Å; V95-F124 HydrophobicContact CG1-CG 3.59Å; V95-F124 HydrophobicContact CG1-CZ 4Å; V95-F124 HydrophobicContact CG2-CB 4.21Å; V95-F124 HydrophobicContact CG2-CD2 4.08Å; V95-F124 HydrophobicContact CG2-CG 4.22Å
96T85Confident79.9Confident42 Ų4239 Ų3926%0.25823%0.225SC..EExtended strand (participates in β ladder)trans-102.6112.7174.6-500000108.2E8 R9E8-T96 PolarHBondContact N-O 3.29Å; R9-T96 PolarHBondContact N-O 3.4Å; R9-T96 WeakPolarHBondContact O-CB 3.35Å; R9-T96 PolarHBondContact O-N 3.32Å
97P82.9Confident80.4Confident12 Ų1236 Ų368%0.07821%0.209CC..EExtended strand (participates in β ladder)trans-72.1159.7177.530.1-35.1000111.4L6 N101 F124L6-P97 CarbonylContact O-C 3.53Å; L6-P97 WeakPolarHBondContact O-CA 3.24Å; P97-N101 HydrophobicContact CB-CB 4.44Å; P97-N101 WeakPolarHBondContact CB-O 3.31Å; P97-F124 HydrophobicContact CB-CE1 4.2Å; P97-F124 HydrophobicContact CB-CZ 4.03Å; P97-F124 HydrophobicContact CG-CZ 4.29Å
98T75.2Confident80.9Confident19 Ų1938.3 Ų38.312%0.11723%0.225CC..PPolyproline II helixtrans-60.3152.7168.547.70000110.8A2 E5 L6 E8 N100 N101A2-T98 HydrophobicContact CB-CG2 4.08Å; E5-T98 WeakPolarHBondContact O-CG2 3.42Å; E5-T98 PolarHBondContact O-OG1 3.31Å; L6-T98 PolarHBondContact O-N 2.89Å; L6-T98 PolarHBondContact O-OG1 2.91Å; E8-T98 HydrophobicContact CB-CG2 4.13Å; T98-N100 PolarHBondContact O-N 2.97Å; T98-N101 PolarHBondContact O-N 3.5Å; T98-N101 PolarHBondContact OG1-ND2 3.46Å
99P69Low81.5Confident77 Ų7736.2 Ų36.250%0.521%0.209SC..THydrogen-bonded Turntrans-55.3136.6-178.921.8-33.3000110.9N101P99-N101 VanDerWaalsContact C-N 3.35Å; P99-N101 PolarHBondContact O-N 3.02Å
100N65.5Low81.7Confident55 Ų5533.5 Ų33.529%0.29420%0.198SC..THydrogen-bonded Turntrans80.7-23.7-172.7-52.9-42.4000116.6T98 G102 G369T98-N100 PolarHBondContact O-N 2.97Å; N100-G102 PolarHBondContact O-N 2.93Å; N100-G369 CarbonylContact C-O 3.53Å; N100-G369 CarbonylContact O-C 3.46Å
101N71Confident81.7Confident22 Ų2237.9 Ų37.912%0.11822%0.217CC..SBendtrans-84.639.5-175.4-70.9-36000115E5 L6 P97 T98 P99 Q125E5-N101 PolarHBondContact O-ND2 3.27Å; L6-N101 HydrophobicContact CD2-CB 4.17Å; P97-N101 HydrophobicContact CB-CB 4.44Å; P97-N101 WeakPolarHBondContact CB-O 3.31Å; T98-N101 PolarHBondContact O-N 3.5Å; T98-N101 PolarHBondContact OG1-ND2 3.46Å; P99-N101 VanDerWaalsContact C-N 3.35Å; P99-N101 PolarHBondContact O-N 3.02Å; N101-Q125 PolarHBondContact O-NE2 2.95Å
102G72.9Confident81.2Confident9 Ų937.5 Ų37.59%0.09322%0.215CC..  trans100.5-154.4175.400000115.3N100 Y368 K371N100-G102 PolarHBondContact O-N 2.93Å; G102-Y368 WeakPolarHBondContact CA-O 3.43Å; G102-Y368 PolarHBondContact N-O 3.29Å; G102-K371 WeakPolarHBondContact O-CE 3.46Å
103S75.6Confident80.3Confident60 Ų6042 Ų4242%0.4224%0.239SC..  trans-112.2155.8-179.446.50000112
104A83.1Confident78.7Confident32 Ų3243.7 Ų43.726%0.26426%0.257SS..  trans-61.8145.9170.800000110.1I73 V95I73-A104 WeakPolarHBondContact CD1-O 3.28Å; V95-A104 VanDerWaalsContact O-CA 3.22Å; V95-A104 WeakPolarHBondContact O-CA 3.32Å; V95-A104 WeakPolarHBondContact O-CB 3.5Å
105E83.5Confident77.2Confident69 Ų6951.3 Ų51.332%0.32230%0.298SS..EExtended strand (participates in β ladder)trans-136.4151.6177.8-66.6-178.3176.900110.5M94 V95 V107 F124M94-E105 WeakPolarHBondContact CA-O 3.5Å; V95-E105 PolarHBondContact N-O 3.16Å; V95-E105 PolarHBondContact O-N 2.76Å; E105-V107 HydrophobicContact CB-CG2 4.31Å; E105-F124 HydrophobicContact CB-CD2 4.36Å; E105-F124 HydrophobicContact CB-CE2 3.99Å; E105-F124 HydrophobicContact CG-CE2 4.22Å
106L85.9Confident75.8Confident32 Ų3254.7 Ų54.717%0.16833%0.333CS..EExtended strand (participates in β ladder)trans-101107.7173.6-173.267.7000108.4I73 L92 M94I73-L106 HydrophobicContact CG2-CB 4.37Å; L92-L106 HydrophobicContact CB-CD1 4.04Å; L92-L106 HydrophobicContact CB-CG 4.42Å; L92-L106 HydrophobicContact CD1-CD2 4.07Å; L92-L106 HydrophobicContact CD1-CG 4.4Å; M94-L106 HydrophobicContact CB-CD1 4.15Å
107V88.2Confident74.6Confident11 Ų1158.9 Ų58.97%0.06735%0.349CS..EExtended strand (participates in β ladder)trans-107.8140.5-171.8179.90000109.9L92 A93 V95 E105 L122 E123 F124L92-V107 WeakPolarHBondContact CA-O 3.46Å; A93-V107 PolarHBondContact N-O 3.13Å; A93-V107 PolarHBondContact O-N 3.28Å; V95-V107 HydrophobicContact CG2-CG2 4.32Å; E105-V107 HydrophobicContact CB-CG2 4.31Å; V107-L122 HydrophobicContact CG1-CB 4.27Å; V107-E123 WeakPolarHBondContact CG1-O 3.15Å; V107-F124 HydrophobicContact CG2-CD2 4.18Å
108P88.1Confident74Confident66 Ų6665.8 Ų65.843%0.42938%0.375SS..EExtended strand (participates in β ladder)trans-69143.6172.229.4-34.8000112.7L92L92-P108 HydrophobicContact CD2-CB 4.35Å
109L86.6Confident74Confident17 Ų1770.5 Ų70.59%0.08939%0.394CS..PPolyproline II helixtrans-89.3123.8171.1-72.9159.5000109.5L12 A90 T91 A93 I120 L122 F139L12-L109 HydrophobicContact CD2-CD1 3.68Å; L12-L109 HydrophobicContact CD2-CD2 4.33Å; A90-L109 HydrophobicContact CB-CD1 3.59Å; T91-L109 PolarHBondContact O-N 3.29Å; A93-L109 HydrophobicContact CB-CD1 4.35Å; A93-L109 HydrophobicContact CB-CD2 4.09Å; A93-L109 HydrophobicContact CB-CG 4.09Å; L109-I120 HydrophobicContact CB-CG2 4.48Å; L109-I120 HydrophobicContact CD2-CG2 3.89Å; L109-L122 HydrophobicContact CD2-CB 4.13Å; L109-L122 HydrophobicContact CD2-CD2 4.04Å; L109-F139 HydrophobicContact CD2-CE1 4.08Å; L109-F139 HydrophobicContact CD2-CZ 3.89Å
110H85.9Confident74.7Confident77 Ų7767 Ų6736%0.35637%0.371SS..EExtended strand (participates in β ladder)trans-93.6130.9174.2-63.8-80.4000109.5I120 W121H110-I120 WeakPolarHBondContact O-CA 3.31Å; H110-W121 HydrophobicContact CB-CD2 3.67Å; H110-W121 HydrophobicContact CB-CE3 4.09Å; H110-W121 HydrophobicContact CB-CG 4.25Å; H110-W121 HydrophobicContact CB-CH2 3.87Å; H110-W121 HydrophobicContact CB-CZ2 3.43Å; H110-W121 VanDerWaalsContact CB-CZ2 3.43Å; H110-W121 HydrophobicContact CB-CZ3 4.18Å; H110-W121 AromaticContact CD2-CE3 3.84Å; H110-W121 AromaticContact CD2-CH2 3.4Å; H110-W121 VanDerWaalsContact CD2-CH2 3.4Å; H110-W121 WeakPolarHBondContact CD2-CH2 3.49Å; H110-W121 AromaticContact CD2-CZ2 3.94Å; H110-W121 AromaticContact CD2-CZ3 3.35Å; H110-W121 WeakPolarHBondContact CD2-CZ3 3.38Å; H110-W121 AromaticContact CG-CE2 3.96Å; H110-W121 AromaticContact CG-CH2 3.53Å; H110-W121 AromaticContact CG-CZ2 3.58Å; H110-W121 AromaticContact CG-CZ3 3.88Å; H110-W121 PolarHBondContact N-O 3.23Å; H110-W121 AromaticContact NE2-CH2 3.98Å; H110-W121 PolarHBondContact O-N 3.4Å
111K81.6Confident75.7Confident91 Ų9166.9 Ų66.940%0.39637%0.366SS..EExtended strand (participates in β ladder)trans-119.3122179.7-56.7-177.6-175.4168.80108.1C88 A90 I120C88-K111 PolarHBondContact O-NZ 2.87Å; A90-K111 WeakPolarHBondContact O-CE 3.36Å; A90-K111 PolarHBondContact O-NZ 3.35Å; K111-I120 HydrophobicContact CG-CG1 4.29Å
112V76.3Confident76.5Confident56 Ų5665.8 Ų65.834%0.33936%0.361SS..EExtended strand (participates in β ladder)trans-110.9127.2173.7-176.50000107.5K119V112-K119 PolarHBondContact N-O 3.09Å; V112-K119 PolarHBondContact O-N 3.12Å; V112-K119 VanDerWaalsContact O-N 3.09Å
113D68.8Low77.1Confident118 Ų11868.9 Ų68.963%0.63137%0.373SS*.EExtended strand (participates in β ladder)trans-85.2121.6172.6-157.1-0.6000108
114G54.3Low77.6Confident37 Ų3766 Ų6638%0.38135%0.353SS..EExtended strand (participates in β ladder)trans-141.6134.3175.200000108.8G116 H117G114-G116 VanDerWaalsContact C-N 3.25Å; G114-G116 PolarHBondContact O-N 3.36Å; G114-H117 PolarHBondContact O-N 2.64Å
115D55.1Low77.5Confident176 Ų17665 Ų6594%0.94134%0.342SS*.THydrogen-bonded Turntrans9.561.8176.5-62.8-18000116.4
116G56.7Low77.5Confident71 Ų7165.3 Ų65.373%0.73234%0.343SS*.THydrogen-bonded Turntrans86.6-5.9174.100000117.7G114G114-G116 VanDerWaalsContact C-N 3.25Å; G114-G116 PolarHBondContact O-N 3.36Å
117H61.5Low77.4Confident129 Ų12964.1 Ų64.160%0.59734%0.337SS*.EExtended strand (participates in β ladder)trans-123.7114.6178.4-68.2-75.8000112.1G114 K119G114-H117 PolarHBondContact O-N 2.64Å; H117-K119 PolarHBondContact O-N 3.47Å; H117-K119 VanDerWaalsContact O-N 3.13Å
118Y68.9Low77.3Confident157 Ų15765.4 Ų65.462%0.61634%0.342SS*.EExtended strand (participates in β ladder)trans-64.8112.3170.6-65.8-73.6000110.7
119K75.6Confident77.2Confident119 Ų11962.3 Ų62.352%0.51732%0.321SS..EExtended strand (participates in β ladder)trans-87.7115.1167.6-72.9-179.2-178.7172.90108.6V112 H117V112-K119 PolarHBondContact N-O 3.09Å; V112-K119 PolarHBondContact O-N 3.12Å; V112-K119 VanDerWaalsContact O-N 3.09Å; H117-K119 PolarHBondContact O-N 3.47Å; H117-K119 VanDerWaalsContact O-N 3.13Å
120I83.8Confident77.1Confident3 Ų362.9 Ų62.92%0.01532%0.324CS..EExtended strand (participates in β ladder)trans-106.5128.2177.5-54.3178.5000108P87 L109 H110 K111 L131P87-I120 HydrophobicContact CB-CD1 4.21Å; L109-I120 HydrophobicContact CB-CG2 4.48Å; L109-I120 HydrophobicContact CD2-CG2 3.89Å; H110-I120 WeakPolarHBondContact O-CA 3.31Å; K111-I120 HydrophobicContact CG-CG1 4.29Å; I120-L131 HydrophobicContact CB-CB 4.35Å; I120-L131 HydrophobicContact CD1-CD2 4.3Å; I120-L131 PolarHBondContact O-N 3.5Å
121W86.3Confident76.9Confident52 Ų5260 Ų6020%0.19731%0.312CS..EExtended strand (participates in β ladder)trans-139.7158.8176.362.6-90.8000111.7H110 E123 K128 Y129 I130H110-W121 HydrophobicContact CB-CD2 3.67Å; H110-W121 HydrophobicContact CB-CE3 4.09Å; H110-W121 HydrophobicContact CB-CG 4.25Å; H110-W121 HydrophobicContact CB-CH2 3.87Å; H110-W121 HydrophobicContact CB-CZ2 3.43Å; H110-W121 VanDerWaalsContact CB-CZ2 3.43Å; H110-W121 HydrophobicContact CB-CZ3 4.18Å; H110-W121 AromaticContact CD2-CE3 3.84Å; H110-W121 AromaticContact CD2-CH2 3.4Å; H110-W121 VanDerWaalsContact CD2-CH2 3.4Å; H110-W121 WeakPolarHBondContact CD2-CH2 3.49Å; H110-W121 AromaticContact CD2-CZ2 3.94Å; H110-W121 AromaticContact CD2-CZ3 3.35Å; H110-W121 WeakPolarHBondContact CD2-CZ3 3.38Å; H110-W121 AromaticContact CG-CE2 3.96Å; H110-W121 AromaticContact CG-CH2 3.53Å; H110-W121 AromaticContact CG-CZ2 3.58Å; H110-W121 AromaticContact CG-CZ3 3.88Å; H110-W121 PolarHBondContact N-O 3.23Å; H110-W121 AromaticContact NE2-CH2 3.98Å; H110-W121 PolarHBondContact O-N 3.4Å; W121-E123 HydrophobicContact CZ3-CB 4.21Å; W121-K128 HydrophobicContact CB-CG 4.24Å; W121-K128 HydrophobicContact CD2-CD 4.15Å; W121-K128 HydrophobicContact CD2-CG 4.29Å; W121-K128 HydrophobicContact CE3-CD 3.95Å; W121-K128 HydrophobicContact CE3-CG 3.85Å; W121-K128 HydrophobicContact CG-CD 4.47Å; W121-K128 HydrophobicContact CG-CG 4.49Å; W121-K128 HydrophobicContact CZ3-CD 4.47Å; W121-Y129 CarbonylContact C-O 3.35Å; W121-Y129 WeakPolarHBondContact CA-O 3.5Å; W121-Y129 WeakPolarHBondContact CB-O 3.22Å; W121-I130 HydrophobicContact CB-CG1 4.17Å
122L88.1Confident76.4Confident0 Ų058.6 Ų58.60%031%0.308CS..EExtended strand (participates in β ladder)trans-134.815317462.488000110I10 A93 V95 V107 L109 F124 K128 Y129 F139I10-L122 HydrophobicContact CD1-CD2 4.35Å; I10-L122 HydrophobicContact CG2-CD2 4.27Å; A93-L122 HydrophobicContact CB-CD2 3.83Å; V95-L122 HydrophobicContact CG2-CD1 4.19Å; V107-L122 HydrophobicContact CG1-CB 4.27Å; L109-L122 HydrophobicContact CD2-CB 4.13Å; L109-L122 HydrophobicContact CD2-CD2 4.04Å; L122-F124 HydrophobicContact CD1-CB 4.15Å; L122-K128 CarbonylContact O-C 3.53Å; L122-K128 WeakPolarHBondContact O-CA 3.33Å; L122-Y129 HydrophobicContact CD1-CD2 3.77Å; L122-Y129 HydrophobicContact CD1-CG 4.11Å; L122-Y129 PolarHBondContact N-O 2.88Å; L122-Y129 PolarHBondContact O-N 3.03Å; L122-F139 HydrophobicContact CD2-CD1 3.81Å; L122-F139 HydrophobicContact CD2-CE1 3.67Å; L122-F139 HydrophobicContact CD2-CE2 4.47Å; L122-F139 HydrophobicContact CD2-CG 4.27Å; L122-F139 HydrophobicContact CD2-CZ 4.02Å; L122-F139 HydrophobicContact CG-CD1 4.33Å; L122-F139 HydrophobicContact CG-CE1 4.35Å
123E85.9Confident75.9Confident74 Ų7461 Ų6135%0.34633%0.325SS..EExtended strand (participates in β ladder)trans-113.7110175.3-174.9-174157.300109.7V107 W121 K126 S127V107-E123 WeakPolarHBondContact CG1-O 3.15Å; W121-E123 HydrophobicContact CZ3-CB 4.21Å; E123-K126 WeakPolarHBondContact OE1-CD 3.33Å; E123-K126 IonicContact OE1-NZ 3.33Å; E123-K126 PolarHBondContact OE1-NZ 2.88Å; E123-K126 VanDerWaalsContact OE1-NZ 3.1Å; E123-S127 CarbonylContact C-O 3.57Å; E123-S127 WeakPolarHBondContact CA-O 3.43Å
124F85.5Confident75.4Confident0 Ų060 Ų600%033%0.333CS..EExtended strand (participates in β ladder)trans-112.8126.4174.4177.8-109.6000109.5V7 V95 P97 E105 V107 L122 K126 S127 Y129V7-F124 HydrophobicContact CG2-CD1 3.78Å; V7-F124 HydrophobicContact CG2-CE1 4.06Å; V95-F124 HydrophobicContact CB-CB 4.48Å; V95-F124 HydrophobicContact CB-CD1 4.49Å; V95-F124 HydrophobicContact CB-CD2 3.63Å; V95-F124 HydrophobicContact CB-CE2 3.89Å; V95-F124 HydrophobicContact CB-CG 3.95Å; V95-F124 HydrophobicContact CB-CZ 4.42Å; V95-F124 HydrophobicContact CG1-CB 4.21Å; V95-F124 HydrophobicContact CG1-CD1 3.67Å; V95-F124 HydrophobicContact CG1-CD2 3.73Å; V95-F124 HydrophobicContact CG1-CE1 3.88Å; V95-F124 HydrophobicContact CG1-CE2 3.94Å; V95-F124 HydrophobicContact CG1-CG 3.59Å; V95-F124 HydrophobicContact CG1-CZ 4Å; V95-F124 HydrophobicContact CG2-CB 4.21Å; V95-F124 HydrophobicContact CG2-CD2 4.08Å; V95-F124 HydrophobicContact CG2-CG 4.22Å; P97-F124 HydrophobicContact CB-CE1 4.2Å; P97-F124 HydrophobicContact CB-CZ 4.03Å; P97-F124 HydrophobicContact CG-CZ 4.29Å; E105-F124 HydrophobicContact CB-CD2 4.36Å; E105-F124 HydrophobicContact CB-CE2 3.99Å; E105-F124 HydrophobicContact CG-CE2 4.22Å; V107-F124 HydrophobicContact CG2-CD2 4.18Å; L122-F124 HydrophobicContact CD1-CB 4.15Å; F124-K126 VanDerWaalsContact C-N 3.26Å; F124-K126 PolarHBondContact O-N 2.95Å; F124-S127 PolarHBondContact N-O 2.96Å; F124-S127 PolarHBondContact O-N 3.35Å; F124-Y129 HydrophobicContact CB-CD2 4.39Å; F124-Y129 HydrophobicContact CB-CE2 4.11Å
125Q81.9Confident75.6Confident11 Ų1164.7 Ų64.75%0.05135%0.345CS..THydrogen-bonded Turntrans48.244.5-178.9-61.6-179.9-7.100113.5N101 S127 R364 Y368N101-Q125 PolarHBondContact O-NE2 2.95Å; Q125-S127 VanDerWaalsContact C-N 3.26Å; Q125-S127 PolarHBondContact O-N 3.11Å; Q125-R364 WeakPolarHBondContact O-CD 3.5Å; Q125-R364 VanDerWaalsContact O-CG 3.31Å; Q125-R364 WeakPolarHBondContact O-CG 3.37Å; Q125-Y368 HydrophobicContact CB-CD1 4.37Å; Q125-Y368 HydrophobicContact CB-CD2 3.85Å; Q125-Y368 HydrophobicContact CB-CE2 4.27Å; Q125-Y368 HydrophobicContact CB-CG 3.9Å; Q125-Y368 HydrophobicContact CG-CD1 4.02Å; Q125-Y368 HydrophobicContact CG-CD2 4.3Å; Q125-Y368 HydrophobicContact CG-CG 3.83Å
126K83.5Confident75.9Confident75 Ų7563.9 Ų63.933%0.32633%0.329SS..THydrogen-bonded Turntrans65.322-176.3-56.5-53.8-169.7177.80115.3E123 F124 F355 Y368E123-K126 WeakPolarHBondContact OE1-CD 3.33Å; E123-K126 IonicContact OE1-NZ 3.33Å; E123-K126 PolarHBondContact OE1-NZ 2.88Å; E123-K126 VanDerWaalsContact OE1-NZ 3.1Å; F124-K126 VanDerWaalsContact C-N 3.26Å; F124-K126 PolarHBondContact O-N 2.95Å; K126-F355 HydrophobicContact CB-CB 3.99Å; K126-F355 HydrophobicContact CB-CD1 4Å; K126-F355 HydrophobicContact CB-CD2 3.56Å; K126-F355 HydrophobicContact CB-CE1 4.37Å; K126-F355 HydrophobicContact CB-CE2 3.98Å; K126-F355 HydrophobicContact CB-CG 3.56Å; K126-F355 HydrophobicContact CB-CZ 4.36Å; K126-F355 HydrophobicContact CD-CE2 4.31Å; K126-F355 HydrophobicContact CG-CD1 4.4Å; K126-F355 HydrophobicContact CG-CD2 4.02Å; K126-F355 HydrophobicContact CG-CE1 4.27Å; K126-F355 HydrophobicContact CG-CE2 3.88Å; K126-F355 HydrophobicContact CG-CG 4.27Å; K126-F355 HydrophobicContact CG-CZ 4.01Å; K126-F355 WeakPolarHBondContact O-CB 3.32Å; K126-Y368 HydrophobicContact CG-CE2 4.08Å
127S83.3Confident76.4Confident7 Ų768.5 Ų68.55%0.04933%0.329CS..EExtended strand (participates in β ladder)trans-125.7129.8175.2-62.70000111E123 F124 Q125 Y129 R364E123-S127 CarbonylContact C-O 3.57Å; E123-S127 WeakPolarHBondContact CA-O 3.43Å; F124-S127 PolarHBondContact N-O 2.96Å; F124-S127 PolarHBondContact O-N 3.35Å; Q125-S127 VanDerWaalsContact C-N 3.26Å; Q125-S127 PolarHBondContact O-N 3.11Å; S127-Y129 WeakPolarHBondContact O-CD2 3.26Å; S127-R364 WeakPolarHBondContact OG-CD 3.36Å; S127-R364 PolarHBondContact OG-NH1 3.08Å
128K85.4Confident77Confident38 Ų3867 Ų6717%0.16533%0.325CS..EExtended strand (participates in β ladder)trans-89.4129.2-174.6-175.1171.5168.7-165.50109.1W121 L122 I130 I142 E170 H171W121-K128 HydrophobicContact CB-CG 4.24Å; W121-K128 HydrophobicContact CD2-CD 4.15Å; W121-K128 HydrophobicContact CD2-CG 4.29Å; W121-K128 HydrophobicContact CE3-CD 3.95Å; W121-K128 HydrophobicContact CE3-CG 3.85Å; W121-K128 HydrophobicContact CG-CD 4.47Å; W121-K128 HydrophobicContact CG-CG 4.49Å; W121-K128 HydrophobicContact CZ3-CD 4.47Å; L122-K128 CarbonylContact O-C 3.53Å; L122-K128 WeakPolarHBondContact O-CA 3.33Å; K128-I130 HydrophobicContact CG-CG1 4.5Å; K128-I142 HydrophobicContact CB-CD1 3.63Å; K128-I142 HydrophobicContact CB-CG1 4.4Å; K128-I142 HydrophobicContact CD-CD1 3.71Å; K128-I142 HydrophobicContact CG-CD1 3.69Å; K128-I142 HydrophobicContact CG-CG1 4.46Å; K128-E170 PolarHBondContact NZ-O 3.26Å; K128-H171 PolarHBondContact NZ-O 3.2Å
129Y86Confident77.6Confident1 Ų160 Ų600%0.00430%0.298CS..EExtended strand (participates in β ladder)trans-114.6132.1174.9-66-98.3000107.9D4 V7 W121 L122 F124 S127 S140 A141D4-Y129 HydrophobicContact CB-CE1 4.35Å; V7-Y129 HydrophobicContact CG2-CE1 4.11Å; V7-Y129 HydrophobicContact CG2-CE2 4.22Å; V7-Y129 VanDerWaalsContact CG2-OH 3.31Å; V7-Y129 WeakPolarHBondContact CG2-OH 3.27Å; W121-Y129 CarbonylContact C-O 3.35Å; W121-Y129 WeakPolarHBondContact CA-O 3.5Å; W121-Y129 WeakPolarHBondContact CB-O 3.22Å; L122-Y129 HydrophobicContact CD1-CD2 3.77Å; L122-Y129 HydrophobicContact CD1-CG 4.11Å; L122-Y129 PolarHBondContact N-O 2.88Å; L122-Y129 PolarHBondContact O-N 3.03Å; F124-Y129 HydrophobicContact CB-CD2 4.39Å; F124-Y129 HydrophobicContact CB-CE2 4.11Å; S127-Y129 WeakPolarHBondContact O-CD2 3.26Å; Y129-S140 CarbonylContact C-O 3.57Å; Y129-S140 VanDerWaalsContact CA-O 3.28Å; Y129-S140 WeakPolarHBondContact CA-O 3.27Å; Y129-A141 HydrophobicContact CD1-CB 4.27Å; Y129-A141 HydrophobicContact CE1-CB 4.07Å
130I85.8Confident77.8Confident28 Ų2855.6 Ų55.614%0.14428%0.282CS..EExtended strand (participates in β ladder)trans-111.4144.1-178.6-57.2-178.7000107.6W121 K128 F139 S140 I142W121-I130 HydrophobicContact CB-CG1 4.17Å; K128-I130 HydrophobicContact CG-CG1 4.5Å; I130-F139 WeakPolarHBondContact O-CA 3.34Å; I130-S140 PolarHBondContact N-O 3.5Å; I130-S140 PolarHBondContact O-N 2.98Å; I130-S140 PolarHBondContact O-OG 3.1Å; I130-I142 HydrophobicContact CD1-CD1 3.95Å; I130-I142 HydrophobicContact CD1-CG1 3.63Å; I130-I142 HydrophobicContact CG1-CD1 4.33Å; I130-I142 HydrophobicContact CG1-CG1 3.87Å
131L81.4Confident77.7Confident18 Ų1857.1 Ų57.19%0.09430%0.295CS..EExtended strand (participates in β ladder)trans-77.1126.6171.5-176.175000109.6P87 I120 F139P87-L131 HydrophobicContact CB-CD1 4.42Å; P87-L131 HydrophobicContact CB-CD2 3.74Å; P87-L131 HydrophobicContact CG-CD1 4.36Å; P87-L131 HydrophobicContact CG-CD2 3.56Å; I120-L131 HydrophobicContact CB-CB 4.35Å; I120-L131 HydrophobicContact CD1-CD2 4.3Å; I120-L131 PolarHBondContact O-N 3.5Å; L131-F139 HydrophobicContact CB-CD1 4.3Å; L131-F139 HydrophobicContact CB-CE1 4.13Å; L131-F139 HydrophobicContact CD1-CD2 4.36Å; L131-F139 HydrophobicContact CD1-CE1 4.45Å; L131-F139 HydrophobicContact CD1-CE2 4.23Å; L131-F139 HydrophobicContact CD1-CZ 4.28Å
132D71.5Confident77.5Confident60 Ų6055.7 Ų55.732%0.32129%0.291SS..  trans-61.2126.9178.6-75.3-25.4000111.2A134 R136 D138 S140D132-A134 VanDerWaalsContact C-N 3.29Å; D132-A134 PolarHBondContact O-N 3.38Å; D132-R136 WeakPolarHBondContact O-CA 3.25Å; D132-R136 PolarHBondContact O-N 2.82Å; D132-R136 VanDerWaalsContact O-N 3.1Å; D132-D138 PolarHBondContact N-O 3.2Å; D132-S140 PolarHBondContact OD1-OG 2.86Å
133P63.8Low77Confident107 Ų10762.5 Ų62.570%0.69532%0.323SS*.THydrogen-bonded Turntrans-68.5-28.2-175.523.7-31.3000113
134A59.1Low76.7Confident97 Ų9759.8 Ų59.880%0.80231%0.31SS*.THydrogen-bonded Turntrans-79.9-46.9-175.400000113.1D132D132-A134 VanDerWaalsContact C-N 3.29Å; D132-A134 PolarHBondContact O-N 3.38Å
135E59.1Low76.1Confident136 Ų13660.8 Ų60.864%0.63632%0.316SS*.THydrogen-bonded Turntrans-97.1-17.2-175.2-63.5-161.9168.100114.1K137E135-K137 WeakPolarHBondContact O-CG 3.18Å; E135-K137 PolarHBondContact O-N 3.42Å
136R62Low75.5Confident158 Ų15862.1 Ų62.160%0.59632%0.324SS*.SBendtrans47.715.5179.3-66-170.6177.8-173.4-0.2115.9D132D132-R136 WeakPolarHBondContact O-CA 3.25Å; D132-R136 PolarHBondContact O-N 2.82Å; D132-R136 VanDerWaalsContact O-N 3.1Å
137K65.6Low74.9Confident169 Ų16965.7 Ų65.774%0.73534%0.341SS*.SBendtrans-110.1-46.9-174.5-78.9177.8-176.7174.90112.5E135E135-K137 WeakPolarHBondContact O-CG 3.18Å; E135-K137 PolarHBondContact O-N 3.42Å
138D74.3Confident74.6Confident98 Ų9869 Ų6952%0.52436%0.359SS..  trans-111.5144.4-172.7-68-29000111.6D132D132-D138 PolarHBondContact N-O 3.2Å
139F81.9Confident74Confident9 Ų974.8 Ų74.84%0.03939%0.386CS..EExtended strand (participates in β ladder)trans-85.7132.6170.8-73.3-92.5000107.8I3 I10 L12 L109 L122 I130 L131I3-F139 WeakPolarHBondContact CG2-O 3.25Å; I10-F139 HydrophobicContact CB-CD2 4.38Å; I10-F139 HydrophobicContact CD1-CB 3.68Å; I10-F139 HydrophobicContact CD1-CD2 4.02Å; I10-F139 HydrophobicContact CD1-CG 3.95Å; I10-F139 HydrophobicContact CG2-CD2 3.99Å; I10-F139 HydrophobicContact CG2-CE2 4.04Å; L12-F139 HydrophobicContact CD1-CE2 4.41Å; L12-F139 HydrophobicContact CD2-CE2 3.83Å; L12-F139 HydrophobicContact CD2-CZ 3.89Å; L12-F139 HydrophobicContact CG-CE2 4.4Å; L109-F139 HydrophobicContact CD2-CE1 4.08Å; L109-F139 HydrophobicContact CD2-CZ 3.89Å; L122-F139 HydrophobicContact CD2-CD1 3.81Å; L122-F139 HydrophobicContact CD2-CE1 3.67Å; L122-F139 HydrophobicContact CD2-CE2 4.47Å; L122-F139 HydrophobicContact CD2-CG 4.27Å; L122-F139 HydrophobicContact CD2-CZ 4.02Å; L122-F139 HydrophobicContact CG-CD1 4.33Å; L122-F139 HydrophobicContact CG-CE1 4.35Å; I130-F139 WeakPolarHBondContact O-CA 3.34Å; L131-F139 HydrophobicContact CB-CD1 4.3Å; L131-F139 HydrophobicContact CB-CE1 4.13Å; L131-F139 HydrophobicContact CD1-CD2 4.36Å; L131-F139 HydrophobicContact CD1-CE1 4.45Å; L131-F139 HydrophobicContact CD1-CE2 4.23Å; L131-F139 HydrophobicContact CD1-CZ 4.28Å
140S80.8Confident73.2Confident27 Ų2775.7 Ų75.719%0.18939%0.39CS..EExtended strand (participates in β ladder)trans-108.9150.7173.755.20000109.4Y129 I130 D132Y129-S140 CarbonylContact C-O 3.57Å; Y129-S140 VanDerWaalsContact CA-O 3.28Å; Y129-S140 WeakPolarHBondContact CA-O 3.27Å; I130-S140 PolarHBondContact N-O 3.5Å; I130-S140 PolarHBondContact O-N 2.98Å; I130-S140 PolarHBondContact O-OG 3.1Å; D132-S140 PolarHBondContact OD1-OG 2.86Å
141A80.6Confident72.5Confident35 Ų3576.6 Ų76.629%0.28940%0.402SS..EExtended strand (participates in β ladder)trans-66.7151.6165.800000108.8Y129 E143Y129-A141 HydrophobicContact CD1-CB 4.27Å; Y129-A141 HydrophobicContact CE1-CB 4.07Å; A141-E143 PolarHBondContact O-N 2.81Å; A141-E143 VanDerWaalsContact O-N 3.08Å
142I81.4Confident72.3Confident21 Ų2180.9 Ų80.911%0.10842%0.421CS..PPolyproline II helixtrans-59.9118.5175.6-67.3176.8000109.8K128 I130 F144 H171 Y172K128-I142 HydrophobicContact CB-CD1 3.63Å; K128-I142 HydrophobicContact CB-CG1 4.4Å; K128-I142 HydrophobicContact CD-CD1 3.71Å; K128-I142 HydrophobicContact CG-CD1 3.69Å; K128-I142 HydrophobicContact CG-CG1 4.46Å; I130-I142 HydrophobicContact CD1-CD1 3.95Å; I130-I142 HydrophobicContact CD1-CG1 3.63Å; I130-I142 HydrophobicContact CG1-CD1 4.33Å; I130-I142 HydrophobicContact CG1-CG1 3.87Å; I142-F144 HydrophobicContact CB-CE2 4.25Å; I142-F144 HydrophobicContact CG2-CD2 4.24Å; I142-F144 HydrophobicContact CG2-CE2 3.95Å; I142-F144 HydrophobicContact CG2-CZ 4.2Å; I142-F144 WeakPolarHBondContact O-CD2 3.47Å; I142-F144 PolarHBondContact O-N 3.45Å; I142-H171 WeakPolarHBondContact CD1-O 3.34Å; I142-Y172 HydrophobicContact CG2-CD1 3.7Å; I142-Y172 HydrophobicContact CG2-CE1 3.91Å
143E78.2Confident72.5Confident143 Ų14378 Ų7867%0.66841%0.406SS*.PPolyproline II helixtrans-74.9121.2168-65.6-174.3171.800109.1A141A141-E143 PolarHBondContact O-N 2.81Å; A141-E143 VanDerWaalsContact O-N 3.08Å
144F80.3Confident72.9Confident17 Ų1776.9 Ų76.98%0.07539%0.391CS..PPolyproline II helixtrans-89.6156.5171.9-73.6-90.7000109I142 D146 Y172 A269 L351 R352 S356I142-F144 HydrophobicContact CB-CE2 4.25Å; I142-F144 HydrophobicContact CG2-CD2 4.24Å; I142-F144 HydrophobicContact CG2-CE2 3.95Å; I142-F144 HydrophobicContact CG2-CZ 4.2Å; I142-F144 WeakPolarHBondContact O-CD2 3.47Å; I142-F144 PolarHBondContact O-N 3.45Å; F144-D146 PolarHBondContact O-N 3.5Å; F144-D146 VanDerWaalsContact O-OD1 3.1Å; F144-Y172 AromaticContact CD1-CD1 3.72Å; F144-Y172 HydrophobicContact CD1-CD1 3.72Å; F144-Y172 AromaticContact CD1-CE1 3.96Å; F144-Y172 HydrophobicContact CD1-CE1 3.96Å; F144-Y172 AromaticContact CE1-CD1 3.56Å; F144-Y172 HydrophobicContact CE1-CD1 3.56Å; F144-Y172 HydrophobicContact CE1-CE1 4.28Å; F144-Y172 HydrophobicContact CE1-CG 4.26Å; F144-Y172 HydrophobicContact CG-CE1 4.49Å; F144-Y172 HydrophobicContact CZ-CD1 4.22Å; F144-A269 HydrophobicContact CD1-CB 4.03Å; F144-A269 HydrophobicContact CE1-CB 4.31Å; F144-L351 WeakPolarHBondContact CD1-O 3.44Å; F144-R352 HydrophobicContact CB-CG 3.94Å; F144-R352 HydrophobicContact CD1-CB 4.28Å; F144-R352 HydrophobicContact CD1-CG 4.06Å; F144-R352 HydrophobicContact CD2-CG 4.23Å; F144-R352 HydrophobicContact CE1-CB 4.46Å; F144-R352 HydrophobicContact CG-CB 4.45Å; F144-R352 HydrophobicContact CG-CG 3.8Å; F144-S356 WeakPolarHBondContact CE2-OG 3.49Å; F144-S356 VanDerWaalsContact CZ-CB 3.43Å
145P73.3Confident73.9Confident21 Ų2180.4 Ų80.414%0.13639%0.388CS..SBendtrans-74.673.7-179.932-36.2000110.4L148 Y153 Y349 L351P145-L148 HydrophobicContact CB-CD1 4.25Å; P145-Y153 VanDerWaalsContact C-OH 3.23Å; P145-Y153 WeakPolarHBondContact O-CE1 3.42Å; P145-Y153 PolarHBondContact O-OH 3.16Å; P145-Y349 HydrophobicContact CG-CE1 4.26Å; P145-L351 WeakPolarHBondContact O-CD2 3.39Å
146D68.4Low74.7Confident39 Ų3974.9 Ų74.921%0.20937%0.365CS..  trans-113.3-9.7177.861.9-2.2000113.7F144 R352F144-D146 PolarHBondContact O-N 3.5Å; F144-D146 VanDerWaalsContact O-OD1 3.1Å; D146-R352 IonicContact OD2-CZ 2.71Å; D146-R352 IonicContact OD2-NE 3.99Å; D146-R352 IonicContact OD2-NH2 3.56Å; D146-R352 PolarHBondContact OD2-NH2 3.24Å
147H71.9Confident75.5Confident150 Ų15070.4 Ų70.469%0.69436%0.355SS*.SBendtrans-93.7-3.8-178-58-45.2000115
148L75.3Confident76.2Confident78 Ų7863.4 Ų63.441%0.40833%0.331SS..SBendtrans-81.9159.6-173.5-56.4172.3000111.8P145 H152 Y153P145-L148 HydrophobicContact CB-CD1 4.25Å; L148-H152 HydrophobicContact CB-CB 4.36Å; L148-H152 VanDerWaalsContact CD1-CD2 3.46Å; L148-H152 WeakPolarHBondContact CD1-CD2 3.33Å; L148-Y153 HydrophobicContact CB-CE2 3.8Å; L148-Y153 PolarHBondContact N-OH 3.12Å; L148-Y153 WeakPolarHBondContact O-CE2 3.4Å
149E73.1Confident76.6Confident158 Ų15859.8 Ų59.874%0.73831%0.31SS*.  trans-70.5148.4174.2-67.3-171.5164.500112A151 H152 Y153E149-A151 PolarHBondContact O-N 3.31Å; E149-A151 VanDerWaalsContact O-N 3.09Å; E149-H152 VanDerWaalsContact O-CB 3.32Å; E149-H152 WeakPolarHBondContact O-CB 3.14Å; E149-H152 PolarHBondContact O-N 3.3Å; E149-Y153 WeakPolarHBondContact O-CD2 3.18Å
150F69.2Low76.5Confident20 Ų2062.2 Ų62.29%0.08833%0.329CS..Hα-helixtrans-54.6-33.4-179.4-171.4-113.8000113.5H152 Y153 Q154 L287 Q311 L316F150-H152 PolarHBondContact O-N 2.64Å; F150-Y153 PolarHBondContact O-N 3.18Å; F150-Q154 HydrophobicContact CD1-CG 4.04Å; F150-Q154 HydrophobicContact CE1-CG 3.69Å; F150-Q154 HydrophobicContact CZ-CG 4.08Å; F150-Q154 PolarHBondContact O-N 2.99Å; F150-Q154 VanDerWaalsContact O-N 3.08Å; F150-L287 HydrophobicContact CD2-CD2 4.25Å; F150-L287 HydrophobicContact CE2-CD1 4.25Å; F150-L287 HydrophobicContact CE2-CD2 4.28Å; F150-L287 HydrophobicContact CE2-CG 4.42Å; F150-Q311 HydrophobicContact CE1-CG 4.33Å; F150-Q311 HydrophobicContact CZ-CG 4Å; F150-L316 HydrophobicContact CD2-CD1 4.19Å
151A70.5Confident76.6Confident47 Ų4765 Ų6539%0.38834%0.342SS..Hα-helixtrans-61.7-29.2177.500000113.4E149 K155E149-A151 PolarHBondContact O-N 3.31Å; E149-A151 VanDerWaalsContact O-N 3.09Å; A151-K155 WeakPolarHBondContact O-CG 3.36Å; A151-K155 PolarHBondContact O-N 3.09Å
152H77.3Confident76.6Confident108 Ų10867.2 Ų67.250%0.535%0.353SS..Hα-helixtrans-67.6-45.9175-175.383.7000110.9L148 E149 F150 Q154 K155 S156L148-H152 HydrophobicContact CB-CB 4.36Å; L148-H152 VanDerWaalsContact CD1-CD2 3.46Å; L148-H152 WeakPolarHBondContact CD1-CD2 3.33Å; E149-H152 VanDerWaalsContact O-CB 3.32Å; E149-H152 WeakPolarHBondContact O-CB 3.14Å; E149-H152 PolarHBondContact O-N 3.3Å; F150-H152 PolarHBondContact O-N 2.64Å; H152-Q154 PolarHBondContact O-N 3.09Å; H152-K155 PolarHBondContact O-N 3.04Å; H152-S156 PolarHBondContact O-N 3.46Å; H152-S156 VanDerWaalsContact O-N 3.15Å
153Y76.6Confident76.7Confident0 Ų070.3 Ų70.30%038%0.377CS..Hα-helixtrans-67.9-36.2179.3-55.9-82.8000112.6P145 L148 E149 F150 K155 S156 L287 L316 Y349 L351P145-Y153 VanDerWaalsContact C-OH 3.23Å; P145-Y153 WeakPolarHBondContact O-CE1 3.42Å; P145-Y153 PolarHBondContact O-OH 3.16Å; L148-Y153 HydrophobicContact CB-CE2 3.8Å; L148-Y153 PolarHBondContact N-OH 3.12Å; L148-Y153 WeakPolarHBondContact O-CE2 3.4Å; E149-Y153 WeakPolarHBondContact O-CD2 3.18Å; F150-Y153 PolarHBondContact O-N 3.18Å; Y153-K155 VanDerWaalsContact C-N 3.25Å; Y153-K155 PolarHBondContact O-N 2.82Å; Y153-S156 WeakPolarHBondContact O-CB 3.47Å; Y153-S156 PolarHBondContact O-N 3.46Å; Y153-S156 VanDerWaalsContact O-N 3.15Å; Y153-S156 PolarHBondContact O-OG 3.19Å; Y153-L287 HydrophobicContact CD1-CD2 3.91Å; Y153-L287 HydrophobicContact CD2-CD2 3.71Å; Y153-L287 HydrophobicContact CE1-CD2 4.4Å; Y153-L287 HydrophobicContact CE2-CD2 4.21Å; Y153-L287 HydrophobicContact CG-CD2 3.52Å; Y153-L316 HydrophobicContact CD2-CD1 3.82Å; Y153-L316 HydrophobicContact CE2-CD1 3.5Å; Y153-L316 VanDerWaalsContact CE2-CD1 3.5Å; Y153-L316 HydrophobicContact CE2-CD2 4.34Å; Y153-L316 HydrophobicContact CE2-CG 4.49Å; Y153-Y349 AromaticContact CD1-CD1 3.79Å; Y153-Y349 HydrophobicContact CD1-CD1 3.79Å; Y153-Y349 HydrophobicContact CD1-CD2 4.38Å; Y153-Y349 AromaticContact CD1-CE1 3.73Å; Y153-Y349 HydrophobicContact CD1-CE1 3.73Å; Y153-Y349 HydrophobicContact CD1-CE2 4.31Å; Y153-Y349 HydrophobicContact CD1-CG 4.12Å; Y153-Y349 AromaticContact CD1-CZ 3.98Å; Y153-Y349 HydrophobicContact CE1-CD1 4.11Å; Y153-Y349 AromaticContact CE1-CE1 3.77Å; Y153-Y349 HydrophobicContact CE1-CE1 3.77Å; Y153-L351 HydrophobicContact CE1-CD2 3.87Å
154Q73.2Confident76.9Confident84 Ų8465.3 Ų65.339%0.39336%0.357SS..Hα-helixtrans-61.9-32.7174.8-79-170.6-27.700113.3F150 H152F150-Q154 HydrophobicContact CD1-CG 4.04Å; F150-Q154 HydrophobicContact CE1-CG 3.69Å; F150-Q154 HydrophobicContact CZ-CG 4.08Å; F150-Q154 PolarHBondContact O-N 2.99Å; F150-Q154 VanDerWaalsContact O-N 3.08Å; H152-Q154 PolarHBondContact O-N 3.09Å
155K78.2Confident77.2Confident170 Ų17066.4 Ų66.474%0.73936%0.362SS*.THydrogen-bonded Turntrans-87.7-7177.7-68.2177.3-178.2177.30113.1A151 H152 Y153A151-K155 WeakPolarHBondContact O-CG 3.36Å; A151-K155 PolarHBondContact O-N 3.09Å; H152-K155 PolarHBondContact O-N 3.04Å; Y153-K155 VanDerWaalsContact C-N 3.25Å; Y153-K155 PolarHBondContact O-N 2.82Å
156S77.1Confident77.7Confident21 Ų2168.2 Ų68.215%0.14738%0.375CS..  trans-69.1137.5-179.673.60000110.6H152 Y153 I272 Y349H152-S156 PolarHBondContact O-N 3.46Å; H152-S156 VanDerWaalsContact O-N 3.15Å; Y153-S156 WeakPolarHBondContact O-CB 3.47Å; Y153-S156 PolarHBondContact O-N 3.46Å; Y153-S156 VanDerWaalsContact O-N 3.15Å; Y153-S156 PolarHBondContact O-OG 3.19Å; S156-I272 WeakPolarHBondContact O-CD1 3.47Å; S156-Y349 WeakPolarHBondContact OG-CD2 3.45Å
157V78.4Confident78.5Confident63 Ų6368.8 Ų68.838%0.38239%0.385SS..  trans-11216.1-177-166.60000110.8Y254 M257V157-Y254 HydrophobicContact CG1-CE1 3.88Å; V157-Y254 WeakPolarHBondContact O-CD1 3.36Å; V157-M257 HydrophobicContact CG1-CE 4.31Å; V157-M257 HydrophobicContact CG1-SD 3.34Å; V157-M257 WeakPolarHBondContact CG1-SD 3.37Å
158G80.8Confident79Confident22 Ų2262 Ų6223%0.22736%0.356CS..  trans67.3-157.7-170.600000112.1S160G158-S160 PolarHBondContact O-N 3Å
159H82.4Confident79.6Confident22 Ų2261.4 Ų61.410%0.10235%0.352CS..BIsolated β-bridgetrans-81.3107.3176.3-63.7-69.9000110.2F165 A168 N256 A269 D271H159-F165 HydrophobicContact CB-CB 4.12Å; H159-A168 VanDerWaalsContact CE1-CB 3.42Å; H159-A168 WeakPolarHBondContact CE1-CB 3.29Å; H159-N256 PolarHBondContact O-N 3.36Å; H159-A269 PolarHBondContact NE2-O 3.48Å; H159-D271 IonicContact CD2-OD1 2.76Å; H159-D271 PolarHBondContact CD2-OD1 3.5Å
160S79Confident80Confident61 Ų6159.8 Ų59.843%0.42735%0.345SS..  trans-75.4-34.8179.750.70000113.1G158 N256G158-S160 PolarHBondContact O-N 3Å; S160-N256 PolarHBondContact O-OD1 2.8Å
161D82.5Confident80.8Confident85 Ų8561.7 Ų61.746%0.45535%0.354SS..SBendtrans-117.2139.8-172.6-61.8-72.5000111S163 S164 F165D161-S163 PolarHBondContact O-N 3.12Å; D161-S163 VanDerWaalsContact O-N 3.14Å; D161-S164 PolarHBondContact N-OG 3.03Å; D161-S164 WeakPolarHBondContact O-CB 3.39Å; D161-S164 PolarHBondContact O-N 2.83Å; D161-S164 PolarHBondContact O-OG 2.96Å; D161-F165 PolarHBondContact O-N 3.46Å
162P81.7Confident81.4Confident82 Ų8262.2 Ų62.253%0.53235%0.346SS..Hα-helixtrans-55.4-31.6173.7-25.933.7000113.6F165 S166P162-F165 PolarHBondContact O-N 3.42Å; P162-S166 PolarHBondContact O-N 2.85Å; P162-S166 PolarHBondContact O-OG 2.95Å
163S82.5Confident81.8Confident86 Ų8658.2 Ų58.260%0.60133%0.334SS*.Hα-helixtrans-68.2-39.5175.853.40000112.5D161 F165 S166 A167D161-S163 PolarHBondContact O-N 3.12Å; D161-S163 VanDerWaalsContact O-N 3.14Å; S163-F165 VanDerWaalsContact C-N 3.32Å; S163-F165 PolarHBondContact O-N 3.1Å; S163-S166 PolarHBondContact O-N 3.38Å; S163-A167 WeakPolarHBondContact O-CB 3.26Å; S163-A167 PolarHBondContact O-N 2.78Å
164S83.9Confident82.2Confident37 Ų3760.7 Ų60.726%0.25935%0.354SS..Hα-helixtrans-62.6-41.4175.671.70000111.3D161 A167 A168D161-S164 PolarHBondContact N-OG 3.03Å; D161-S164 WeakPolarHBondContact O-CB 3.39Å; D161-S164 PolarHBondContact O-N 2.83Å; D161-S164 PolarHBondContact O-OG 2.96Å; S164-A167 PolarHBondContact O-N 3.37Å; S164-A168 WeakPolarHBondContact O-CB 3.19Å; S164-A168 PolarHBondContact O-N 3.4Å
165F85.1Confident82.7Confident40 Ų4057 Ų5718%0.17534%0.337CS..Hα-helixtrans-63.9-48.8175174.3-103.6000111.9H159 D161 P162 S163 A167 A168 L169 R255 V268H159-F165 HydrophobicContact CB-CB 4.12Å; D161-F165 PolarHBondContact O-N 3.46Å; P162-F165 PolarHBondContact O-N 3.42Å; S163-F165 VanDerWaalsContact C-N 3.32Å; S163-F165 PolarHBondContact O-N 3.1Å; F165-A167 VanDerWaalsContact C-N 3.33Å; F165-A167 PolarHBondContact O-N 3.15Å; F165-A168 PolarHBondContact O-N 3.36Å; F165-L169 HydrophobicContact CE1-CD2 4.33Å; F165-L169 WeakPolarHBondContact O-CB 3.43Å; F165-L169 PolarHBondContact O-N 2.96Å; F165-R255 VanDerWaalsContact CE2-NH2 3.28Å; F165-V268 HydrophobicContact CE2-CB 4.33Å; F165-V268 HydrophobicContact CE2-CG2 3.74Å; F165-V268 HydrophobicContact CZ-CG2 4.26Å
166S84.9Confident82.9Confident60 Ų6050.8 Ų50.842%0.4232%0.315SS..Hα-helixtrans-60.9-41.8177.7-64.70000112P162 S163 A168 L169 E170P162-S166 PolarHBondContact O-N 2.85Å; P162-S166 PolarHBondContact O-OG 2.95Å; S163-S166 PolarHBondContact O-N 3.38Å; S166-A168 VanDerWaalsContact C-N 3.33Å; S166-A168 PolarHBondContact O-N 3.37Å; S166-L169 PolarHBondContact O-N 3.21Å; S166-E170 WeakPolarHBondContact O-CB 3.36Å; S166-E170 WeakPolarHBondContact O-CG 3.24Å; S166-E170 PolarHBondContact O-N 2.94Å
167A84.2Confident82.8Confident50 Ų5051 Ų5141%0.41331%0.314SS..Hα-helixtrans-63.7-38.6175.700000112.2S163 S164 F165 H171S163-A167 WeakPolarHBondContact O-CB 3.26Å; S163-A167 PolarHBondContact O-N 2.78Å; S164-A167 PolarHBondContact O-N 3.37Å; F165-A167 VanDerWaalsContact C-N 3.33Å; F165-A167 PolarHBondContact O-N 3.15Å; A167-H171 VanDerWaalsContact O-CB 3.31Å; A167-H171 WeakPolarHBondContact O-CB 3.26Å; A167-H171 PolarHBondContact O-N 3.34Å
168A83.8Confident82.5Confident9 Ų953.2 Ų53.27%0.07432%0.321CS..Hα-helixtrans-68.7-42175.400000111.9H159 S164 F165 S166 E170 H171 Y172 V268H159-A168 VanDerWaalsContact CE1-CB 3.42Å; H159-A168 WeakPolarHBondContact CE1-CB 3.29Å; S164-A168 WeakPolarHBondContact O-CB 3.19Å; S164-A168 PolarHBondContact O-N 3.4Å; F165-A168 PolarHBondContact O-N 3.36Å; S166-A168 VanDerWaalsContact C-N 3.33Å; S166-A168 PolarHBondContact O-N 3.37Å; A168-E170 VanDerWaalsContact C-N 3.32Å; A168-E170 PolarHBondContact O-N 3.08Å; A168-H171 PolarHBondContact O-N 2.96Å; A168-Y172 HydrophobicContact CB-CD2 4.25Å; A168-Y172 WeakPolarHBondContact O-CD2 3.42Å; A168-Y172 PolarHBondContact O-N 2.89Å; A168-V268 HydrophobicContact CB-CG1 3.74Å
169L86.3Confident82Confident65 Ų6553.2 Ų53.234%0.3432%0.315SS..Hα-helixtrans-61.6-41.5175.5-175.967000111F165 S166 G173 A174 V268F165-L169 HydrophobicContact CE1-CD2 4.33Å; F165-L169 WeakPolarHBondContact O-CB 3.43Å; F165-L169 PolarHBondContact O-N 2.96Å; S166-L169 PolarHBondContact O-N 3.21Å; L169-G173 WeakPolarHBondContact O-CA 3.22Å; L169-G173 PolarHBondContact O-N 3.29Å; L169-A174 HydrophobicContact CD1-CB 4.2Å; L169-V268 HydrophobicContact CB-CG2 4.19Å; L169-V268 HydrophobicContact CD1-CG2 3.6Å
170E83.3Confident81.5Confident123 Ų12357.7 Ų57.758%0.57534%0.343SS*.Hα-helixtrans-67.9-36.2174.5-76.9-177.6-176.400112.9K128 S166 A168K128-E170 PolarHBondContact NZ-O 3.26Å; S166-E170 WeakPolarHBondContact O-CB 3.36Å; S166-E170 WeakPolarHBondContact O-CG 3.24Å; S166-E170 PolarHBondContact O-N 2.94Å; A168-E170 VanDerWaalsContact C-N 3.32Å; A168-E170 PolarHBondContact O-N 3.08Å
171H84.4Confident81.3Confident61 Ų6156.6 Ų56.628%0.28233%0.332SS..Hα-helixtrans-73.6-62.4179.9-171.8-100.7000111.4K128 I142 A167 A168K128-H171 PolarHBondContact NZ-O 3.2Å; I142-H171 WeakPolarHBondContact CD1-O 3.34Å; A167-H171 VanDerWaalsContact O-CB 3.31Å; A167-H171 WeakPolarHBondContact O-CB 3.26Å; A167-H171 PolarHBondContact O-N 3.34Å; A168-H171 PolarHBondContact O-N 2.96Å
172Y84.5Confident81.2Confident58 Ų5853.9 Ų53.923%0.22732%0.319CS..Hα-helixtrans-84.8-26.6-172.4-60.3-69.9000113.9I142 F144 A168 V268 A269I142-Y172 HydrophobicContact CG2-CD1 3.7Å; I142-Y172 HydrophobicContact CG2-CE1 3.91Å; F144-Y172 AromaticContact CD1-CD1 3.72Å; F144-Y172 HydrophobicContact CD1-CD1 3.72Å; F144-Y172 AromaticContact CD1-CE1 3.96Å; F144-Y172 HydrophobicContact CD1-CE1 3.96Å; F144-Y172 AromaticContact CE1-CD1 3.56Å; F144-Y172 HydrophobicContact CE1-CD1 3.56Å; F144-Y172 HydrophobicContact CE1-CE1 4.28Å; F144-Y172 HydrophobicContact CE1-CG 4.26Å; F144-Y172 HydrophobicContact CG-CE1 4.49Å; F144-Y172 HydrophobicContact CZ-CD1 4.22Å; A168-Y172 HydrophobicContact CB-CD2 4.25Å; A168-Y172 WeakPolarHBondContact O-CD2 3.42Å; A168-Y172 PolarHBondContact O-N 2.89Å; Y172-V268 HydrophobicContact CD2-CG1 4.13Å; Y172-A269 HydrophobicContact CD1-CB 4.19Å; Y172-A269 HydrophobicContact CD2-CB 3.92Å; Y172-A269 HydrophobicContact CE1-CB 4.41Å; Y172-A269 HydrophobicContact CE2-CB 4.14Å; Y172-A269 HydrophobicContact CG-CB 3.94Å
173G84.5Confident81.5Confident23 Ų2352.5 Ų52.524%0.23731%0.311CS..  trans83.2169.6-172.200000113.5L169L169-G173 WeakPolarHBondContact O-CA 3.22Å; L169-G173 PolarHBondContact O-N 3.29Å
174A85.6Confident81.8Confident52 Ų5251.5 Ų51.543%0.4330%0.297SS..  trans-73.8153.9177.800000112.1L169 S176L169-A174 HydrophobicContact CD1-CB 4.2Å; A174-S176 PolarHBondContact O-N 3.3Å
175N84.6Confident82.1Confident7 Ų755.5 Ų55.54%0.03731%0.312CS..  trans-78.255.3175.8-172.741.5000112.6T264 E265 L267 P283 T353 G354N175-T264 WeakPolarHBondContact CB-O 3.3Å; N175-T264 PolarHBondContact ND2-O 3.38Å; N175-E265 PolarHBondContact N-O 2.85Å; N175-E265 WeakPolarHBondContact O-CA 3.27Å; N175-L267 HydrophobicContact CB-CB 4.03Å; N175-L267 VanDerWaalsContact CB-O 3.28Å; N175-L267 WeakPolarHBondContact CB-O 3.33Å; N175-L267 PolarHBondContact N-O 3.28Å; N175-P283 PolarHBondContact ND2-O 3.43Å; N175-P283 PolarHBondContact OD1-O 2.89Å; N175-T353 HydrophobicContact CB-CG2 4.07Å; N175-G354 PolarHBondContact OD1-N 3.43Å
176S81.6Confident82.2Confident40 Ų4059.1 Ų59.128%0.2833%0.33SS..  trans-100.1124.3176-174.50000111.1A174 Q178A174-S176 PolarHBondContact O-N 3.3Å; S176-Q178 WeakPolarHBondContact OG-CB 3.28Å; S176-Q178 PolarHBondContact OG-N 3.05Å
177M74.3Confident82.2Confident26 Ų2656.5 Ų56.513%0.12831%0.311CS..  trans-102.424.5167-68-173.2-79.300111.5M179M177-M179 PolarHBondContact O-N 2.84Å
178Q71.8Confident82.5Confident109 Ų10956 Ų5651%0.50930%0.3SS..  trans-68.5117.4-175.4-171.6177.61.600111.4S176S176-Q178 WeakPolarHBondContact OG-CB 3.28Å; S176-Q178 PolarHBondContact OG-N 3.05Å
179M71.3Confident82.7Confident22 Ų2263.9 Ų63.911%0.10833%0.328CS..  trans-83.5114.9169.8-71.1171.2-89.800109.8M177 I181 I241 L363 L367M177-M179 PolarHBondContact O-N 2.84Å; M179-I181 PolarHBondContact O-N 3.16Å; M179-I241 HydrophobicContact CE-CG2 4.36Å; M179-I241 WeakPolarHBondContact CE-O 3.47Å; M179-I241 HydrophobicContact SD-CG2 3.61Å; M179-L363 HydrophobicContact CE-CD1 4.1Å; M179-L363 HydrophobicContact CE-CD2 3.78Å; M179-L363 HydrophobicContact CE-CG 4.49Å; M179-L363 HydrophobicContact SD-CD1 4.11Å; M179-L363 HydrophobicContact SD-CD2 4.14Å; M179-L363 HydrophobicContact SD-CG 4.43Å; M179-L367 HydrophobicContact CG-CD1 4.1Å; M179-L367 HydrophobicContact SD-CD1 4.02Å; M179-L367 HydrophobicContact SD-CD2 4.28Å
180V72.1Confident82.6Confident115 Ų11566.5 Ų66.570%0.69734%0.338SS*.  trans-76.3111.7169.9-176.40000107.5
181I73.8Confident82.6Confident39 Ų3964 Ų6420%0.232%0.324CS..PPolyproline II helixtrans-78.2125.2174.4-57.6173000106.8M179 M238 Q239 R242M179-I181 PolarHBondContact O-N 3.16Å; I181-M238 HydrophobicContact CG2-CB 4.47Å; I181-Q239 HydrophobicContact CD1-CB 4.41Å; I181-Q239 HydrophobicContact CD1-CG 3.8Å; I181-R242 HydrophobicContact CD1-CB 4.19Å; I181-R242 HydrophobicContact CD1-CG 4.5Å
182P80.4Confident82.6Confident28 Ų2862 Ų6218%0.18232%0.317CS..PPolyproline II helixtrans-62150.1176.126.7-34.2000110.4E186 L187 M238P182-E186 WeakPolarHBondContact CA-OE2 3.22Å; P182-E186 HydrophobicContact CB-CB 4.27Å; P182-E186 WeakPolarHBondContact CB-OE2 3.2Å; P182-L187 HydrophobicContact CB-CD2 4.08Å; P182-L187 HydrophobicContact CB-CG 3.98Å; P182-L187 HydrophobicContact CG-CD1 3.9Å; P182-L187 HydrophobicContact CG-CD2 3.49Å; P182-L187 VanDerWaalsContact CG-CD2 3.49Å; P182-L187 HydrophobicContact CG-CG 3.59Å; P182-M238 HydrophobicContact CG-CE 4.11Å; P182-M238 HydrophobicContact CG-SD 4.12Å
183S87.7Confident82.7Confident52 Ų5260.4 Ų60.436%0.36431%0.314SS..PPolyproline II helixtrans-65.9154.9175.168.90000110.6M185 E186 L187S183-M185 PolarHBondContact O-N 3.11Å; S183-E186 WeakPolarHBondContact CB-OE1 3.11Å; S183-E186 PolarHBondContact N-OE2 2.8Å; S183-E186 VanDerWaalsContact N-OE2 3.15Å; S183-E186 PolarHBondContact O-N 2.97Å; S183-E186 VanDerWaalsContact O-N 3.12Å; S183-E186 VanDerWaalsContact OG-CG 3.27Å; S183-E186 WeakPolarHBondContact OG-CG 3.36Å; S183-E186 PolarHBondContact OG-N 2.93Å; S183-E186 PolarHBondContact OG-OE1 3.06Å; S183-L187 PolarHBondContact O-N 2.84Å; S183-L187 VanDerWaalsContact O-N 3.15Å
184F89.6Confident82.7Confident66 Ų6660.9 Ų60.929%0.28932%0.316SS..Hα-helixtrans-52.1-40.6175.3174.7-88.2000111.3L187 F188 A228 V231 L235F184-L187 PolarHBondContact O-N 3.39Å; F184-F188 HydrophobicContact CE1-CB 4.24Å; F184-F188 HydrophobicContact CE1-CG 4.48Å; F184-F188 VanDerWaalsContact O-CB 3.26Å; F184-F188 WeakPolarHBondContact O-CB 3.41Å; F184-F188 PolarHBondContact O-N 2.98Å; F184-A228 HydrophobicContact CZ-CB 4.19Å; F184-V231 HydrophobicContact CD2-CB 4.5Å; F184-V231 HydrophobicContact CD2-CG1 3.61Å; F184-V231 HydrophobicContact CE2-CB 4Å; F184-V231 HydrophobicContact CE2-CG1 3.59Å; F184-V231 HydrophobicContact CG-CG1 4.31Å; F184-V231 HydrophobicContact CZ-CG1 4.29Å; F184-L235 HydrophobicContact CB-CD1 4.19Å
185M90.5Very high82.5Confident120 Ų12061.1 Ų61.159%0.59131%0.313SS*.Hα-helixtrans-69-36.5-179.1-69.4-61.9166.200112.9S183 F188 W189S183-M185 PolarHBondContact O-N 3.11Å; M185-F188 PolarHBondContact O-N 3.17Å; M185-W189 WeakPolarHBondContact O-CB 3.25Å; M185-W189 VanDerWaalsContact O-CD1 3.28Å; M185-W189 PolarHBondContact O-N 3.27Å
186E87.2Confident82.3Confident116 Ų11663.4 Ų63.454%0.54232%0.323SS..Hα-helixtrans-63.5-47.4174.1-76.6152.3-136.300111.6P182 S183 F188 W189 E190P182-E186 WeakPolarHBondContact CA-OE2 3.22Å; P182-E186 HydrophobicContact CB-CB 4.27Å; P182-E186 WeakPolarHBondContact CB-OE2 3.2Å; S183-E186 WeakPolarHBondContact CB-OE1 3.11Å; S183-E186 PolarHBondContact N-OE2 2.8Å; S183-E186 VanDerWaalsContact N-OE2 3.15Å; S183-E186 PolarHBondContact O-N 2.97Å; S183-E186 VanDerWaalsContact O-N 3.12Å; S183-E186 VanDerWaalsContact OG-CG 3.27Å; S183-E186 WeakPolarHBondContact OG-CG 3.36Å; S183-E186 PolarHBondContact OG-N 2.93Å; S183-E186 PolarHBondContact OG-OE1 3.06Å; E186-F188 VanDerWaalsContact C-N 3.33Å; E186-F188 PolarHBondContact O-N 2.97Å; E186-W189 PolarHBondContact O-N 3.39Å; E186-E190 PolarHBondContact O-N 3.1Å
187L85.1Confident82.4Confident5 Ų562.4 Ų62.43%0.02631%0.313CS..Hα-helixtrans-63.8-40.8177.1-71.9-178.5000111.9P182 S183 F184 W189 E190 R191 V231 Q234 L235P182-L187 HydrophobicContact CB-CD2 4.08Å; P182-L187 HydrophobicContact CB-CG 3.98Å; P182-L187 HydrophobicContact CG-CD1 3.9Å; P182-L187 HydrophobicContact CG-CD2 3.49Å; P182-L187 VanDerWaalsContact CG-CD2 3.49Å; P182-L187 HydrophobicContact CG-CG 3.59Å; S183-L187 PolarHBondContact O-N 2.84Å; S183-L187 VanDerWaalsContact O-N 3.15Å; F184-L187 PolarHBondContact O-N 3.39Å; L187-W189 VanDerWaalsContact C-N 3.34Å; L187-E190 PolarHBondContact O-N 3.11Å; L187-R191 WeakPolarHBondContact O-CG 3.43Å; L187-R191 PolarHBondContact O-N 3.02Å; L187-R191 VanDerWaalsContact O-N 3.1Å; L187-V231 HydrophobicContact CB-CG1 3.67Å; L187-V231 HydrophobicContact CD1-CG1 4.33Å; L187-Q234 VanDerWaalsContact CD2-NE2 3.35Å; L187-L235 HydrophobicContact CD1-CB 4.34Å
188F89.7Confident83Confident41 Ų4163 Ų6318%0.1832%0.318CS..Hα-helixtrans-65-39.1176.5-174.2-98.5000111.4F184 M185 E186 R191 A192 V224 E227 A228 V231F184-F188 HydrophobicContact CE1-CB 4.24Å; F184-F188 HydrophobicContact CE1-CG 4.48Å; F184-F188 VanDerWaalsContact O-CB 3.26Å; F184-F188 WeakPolarHBondContact O-CB 3.41Å; F184-F188 PolarHBondContact O-N 2.98Å; M185-F188 PolarHBondContact O-N 3.17Å; E186-F188 VanDerWaalsContact C-N 3.33Å; E186-F188 PolarHBondContact O-N 2.97Å; F188-R191 PolarHBondContact O-N 2.96Å; F188-A192 HydrophobicContact CE1-CB 4.3Å; F188-A192 VanDerWaalsContact O-CB 3.24Å; F188-A192 WeakPolarHBondContact O-CB 3.41Å; F188-A192 PolarHBondContact O-N 3.02Å; F188-V224 HydrophobicContact CZ-CG1 4.2Å; F188-E227 HydrophobicContact CE2-CB 4.21Å; F188-A228 HydrophobicContact CE2-CB 4.39Å; F188-V231 HydrophobicContact CB-CG2 4.38Å; F188-V231 HydrophobicContact CD2-CG2 4.24Å
189W89.5Confident83.8Confident173 Ų17360.6 Ų60.666%0.65531%0.306SS*.Hα-helixtrans-63.7-42173.9-96.8109.3000113M185 E186 L187 R191 A192 T193M185-W189 WeakPolarHBondContact O-CB 3.25Å; M185-W189 VanDerWaalsContact O-CD1 3.28Å; M185-W189 PolarHBondContact O-N 3.27Å; E186-W189 PolarHBondContact O-N 3.39Å; L187-W189 VanDerWaalsContact C-N 3.34Å; W189-R191 PolarHBondContact O-N 3.39Å; W189-A192 PolarHBondContact O-N 3.49Å; W189-T193 HydrophobicContact CE3-CG2 3.82Å; W189-T193 HydrophobicContact CZ3-CG2 4.09Å; W189-T193 WeakPolarHBondContact O-CB 3.3Å; W189-T193 WeakPolarHBondContact O-CG2 3.4Å; W189-T193 PolarHBondContact O-N 2.86Å; W189-T193 PolarHBondContact O-OG1 3.49Å
190E83.2Confident84.5Confident121 Ų12159.7 Ų59.757%0.56530%0.301SS*.Hα-helixtrans-59.8-37.9174.9-169.1-172.9165.700111.3E186 L187 T193 A194E186-E190 PolarHBondContact O-N 3.1Å; L187-E190 PolarHBondContact O-N 3.11Å; E190-T193 PolarHBondContact O-OG1 3.17Å; E190-A194 PolarHBondContact O-N 3.24Å
191R82.3Confident85.3Confident71 Ų7157 Ų5727%0.26828%0.282SS..Hα-helixtrans-75.2-43.5175.9-67.6-66.6-178.8164.62.9113.1L187 F188 W189 T193 A194 V231L187-R191 WeakPolarHBondContact O-CG 3.43Å; L187-R191 PolarHBondContact O-N 3.02Å; L187-R191 VanDerWaalsContact O-N 3.1Å; F188-R191 PolarHBondContact O-N 2.96Å; W189-R191 PolarHBondContact O-N 3.39Å; R191-T193 PolarHBondContact O-N 3.35Å; R191-A194 WeakPolarHBondContact O-CB 3.26Å; R191-A194 PolarHBondContact O-N 3.08Å; R191-V231 HydrophobicContact CB-CG2 4.37Å; R191-V231 HydrophobicContact CG-CG2 3.87Å
192A86.3Confident86Confident18 Ų1859.1 Ų59.115%0.14929%0.29CS..Hα-helixtrans-66.3-26.5178.800000112.1F188 W189 A194 F197 V198F188-A192 HydrophobicContact CE1-CB 4.3Å; F188-A192 VanDerWaalsContact O-CB 3.24Å; F188-A192 WeakPolarHBondContact O-CB 3.41Å; F188-A192 PolarHBondContact O-N 3.02Å; W189-A192 PolarHBondContact O-N 3.49Å; A192-A194 VanDerWaalsContact C-N 3.3Å; A192-F197 HydrophobicContact CB-CD1 4.12Å; A192-F197 HydrophobicContact CB-CE1 3.99Å; A192-F197 WeakPolarHBondContact O-CD1 3.34Å; A192-V198 WeakPolarHBondContact O-CG2 3.41Å
193T86.3Confident86.4Confident24 Ų2458 Ų5815%0.14728%0.283CS..THydrogen-bonded Turntrans-86.71.4172.654.30000112.9I70 W71 W189 E190 R191I70-T193 HydrophobicContact CD1-CG2 4.46Å; W71-T193 PolarHBondContact NE1-O 3.37Å; W189-T193 HydrophobicContact CE3-CG2 3.82Å; W189-T193 HydrophobicContact CZ3-CG2 4.09Å; W189-T193 WeakPolarHBondContact O-CB 3.3Å; W189-T193 WeakPolarHBondContact O-CG2 3.4Å; W189-T193 PolarHBondContact O-N 2.86Å; W189-T193 PolarHBondContact O-OG1 3.49Å; E190-T193 PolarHBondContact O-OG1 3.17Å; R191-T193 PolarHBondContact O-N 3.35Å
194A82.8Confident86.5Confident34 Ų3455.9 Ų55.928%0.28127%0.267SS..SBendtrans-61139.5174.800000110.2E190 R191 A192 F196 F197 V198E190-A194 PolarHBondContact O-N 3.24Å; R191-A194 WeakPolarHBondContact O-CB 3.26Å; R191-A194 PolarHBondContact O-N 3.08Å; A192-A194 VanDerWaalsContact C-N 3.3Å; A194-F196 PolarHBondContact O-N 2.76Å; A194-F196 VanDerWaalsContact O-N 3.09Å; A194-F197 PolarHBondContact O-N 3.29Å; A194-F197 VanDerWaalsContact O-N 3.08Å; A194-V198 PolarHBondContact O-N 3.12Å; A194-V198 VanDerWaalsContact O-N 3.08Å
195P81.7Confident86.4Confident57 Ų5757.6 Ų57.637%0.3728%0.279SS..Hα-helixtrans-53-39.1-174.6-24.228.1000114W71 F199W71-P195 HydrophobicContact CD2-CB 4.23Å; W71-P195 HydrophobicContact CD2-CG 3.75Å; W71-P195 HydrophobicContact CE3-CB 4.46Å; W71-P195 HydrophobicContact CE3-CG 4.31Å; W71-P195 HydrophobicContact CG-CG 3.9Å; W71-P195 HydrophobicContact CH2-CB 4.2Å; W71-P195 HydrophobicContact CZ2-CB 3.93Å; W71-P195 HydrophobicContact CZ2-CG 4.2Å; W71-P195 HydrophobicContact CZ3-CB 4.46Å; P195-F199 VanDerWaalsContact O-CB 3.31Å; P195-F199 WeakPolarHBondContact O-CB 3.4Å; P195-F199 PolarHBondContact O-N 2.92Å
196F80.3Confident86.3Confident55 Ų5552.5 Ų52.524%0.24125%0.254CS..Hα-helixtrans-69.2-44.5-179.3-160.5-81.1000112.2A194 F199 Q200 I423 L427 P428A194-F196 PolarHBondContact O-N 2.76Å; A194-F196 VanDerWaalsContact O-N 3.09Å; F196-F199 PolarHBondContact O-N 2.86Å; F196-Q200 HydrophobicContact CD1-CG 3.64Å; F196-Q200 HydrophobicContact CE1-CG 3.45Å; F196-Q200 VanDerWaalsContact CE1-CG 3.45Å; F196-Q200 HydrophobicContact CZ-CG 4.48Å; F196-Q200 VanDerWaalsContact O-CG 3.32Å; F196-Q200 WeakPolarHBondContact O-CG 3.48Å; F196-Q200 PolarHBondContact O-N 3.37Å; F196-I423 HydrophobicContact CE2-CG2 3.62Å; F196-I423 HydrophobicContact CZ-CG2 3.66Å; F196-L427 HydrophobicContact CE2-CD2 3.95Å; F196-L427 HydrophobicContact CZ-CB 3.93Å; F196-L427 HydrophobicContact CZ-CD2 4.03Å; F196-L427 HydrophobicContact CZ-CG 4.46Å; F196-P428 HydrophobicContact CD1-CB 4.39Å; F196-P428 HydrophobicContact CD1-CG 3.07Å; F196-P428 HydrophobicContact CD2-CG 4.47Å; F196-P428 HydrophobicContact CE1-CB 4.48Å; F196-P428 HydrophobicContact CE1-CG 2.98Å; F196-P428 HydrophobicContact CE2-CG 4.4Å; F196-P428 HydrophobicContact CG-CG 3.88Å; F196-P428 HydrophobicContact CZ-CG 3.71Å
197F84.5Confident86.2Confident18 Ų1847.8 Ų47.88%0.07923%0.231CC..Hα-helixtrans-64.4-43.1179.2-174.6-91.1000111.7A192 A194 F199 Q200 M201 L223 V224 E227A192-F197 HydrophobicContact CB-CD1 4.12Å; A192-F197 HydrophobicContact CB-CE1 3.99Å; A192-F197 WeakPolarHBondContact O-CD1 3.34Å; A194-F197 PolarHBondContact O-N 3.29Å; A194-F197 VanDerWaalsContact O-N 3.08Å; F197-F199 VanDerWaalsContact C-N 3.3Å; F197-F199 PolarHBondContact O-N 2.87Å; F197-Q200 PolarHBondContact O-N 3.38Å; F197-M201 HydrophobicContact CD1-CG 3.91Å; F197-M201 HydrophobicContact CE1-CG 3.52Å; F197-M201 HydrophobicContact CE1-SD 4.28Å; F197-M201 HydrophobicContact CZ-CG 3.87Å; F197-M201 HydrophobicContact CZ-SD 4.04Å; F197-M201 WeakPolarHBondContact O-CG 3.39Å; F197-M201 PolarHBondContact O-N 3.1Å; F197-L223 HydrophobicContact CE2-CB 4.3Å; F197-V224 HydrophobicContact CZ-CG2 4.19Å; F197-E227 HydrophobicContact CD2-CG 3.78Å; F197-E227 HydrophobicContact CE2-CG 3.88Å
198V87.7Confident86.3Confident38 Ų3849.5 Ų49.523%0.2324%0.244CC..Hα-helixtrans-61.1-42.6175.2178.20000110.9L67 W71 A192 A194 M201 F202L67-V198 HydrophobicContact CD1-CG1 3.7Å; L67-V198 HydrophobicContact CD2-CG2 4.19Å; W71-V198 HydrophobicContact CZ2-CB 4.46Å; A192-V198 WeakPolarHBondContact O-CG2 3.41Å; A194-V198 PolarHBondContact O-N 3.12Å; A194-V198 VanDerWaalsContact O-N 3.08Å; V198-M201 PolarHBondContact O-N 3.38Å; V198-F202 WeakPolarHBondContact O-CB 3.36Å; V198-F202 PolarHBondContact O-N 3.46Å
199F87.3Confident86.1Confident59 Ų5952 Ų5226%0.25926%0.257SS..Hα-helixtrans-63.3-42.9176.2178.7-90.4000112.3P195 F196 F197 F202 C203 T420 I423P195-F199 VanDerWaalsContact O-CB 3.31Å; P195-F199 WeakPolarHBondContact O-CB 3.4Å; P195-F199 PolarHBondContact O-N 2.92Å; F196-F199 PolarHBondContact O-N 2.86Å; F197-F199 VanDerWaalsContact C-N 3.3Å; F197-F199 PolarHBondContact O-N 2.87Å; F199-F202 WeakPolarHBondContact O-CB 3.48Å; F199-F202 PolarHBondContact O-N 2.61Å; F199-C203 WeakPolarHBondContact CE1-SG 3.44Å; F199-C203 PolarHBondContact O-N 2.89Å; F199-C203 PolarHBondContact O-SG 3.47Å; F199-T420 HydrophobicContact CE2-CG2 4.36Å; F199-T420 HydrophobicContact CZ-CG2 4.02Å; F199-I423 HydrophobicContact CD1-CB 4.32Å; F199-I423 HydrophobicContact CD1-CD1 4.4Å; F199-I423 HydrophobicContact CD1-CG2 3.84Å; F199-I423 HydrophobicContact CE1-CB 3.5Å; F199-I423 VanDerWaalsContact CE1-CB 3.5Å; F199-I423 HydrophobicContact CE1-CD1 3.71Å; F199-I423 HydrophobicContact CE1-CG1 4.2Å; F199-I423 HydrophobicContact CE1-CG2 3.53Å; F199-I423 HydrophobicContact CE2-CD1 4.27Å; F199-I423 HydrophobicContact CZ-CB 4.09Å; F199-I423 HydrophobicContact CZ-CD1 3.61Å; F199-I423 HydrophobicContact CZ-CG1 4.39Å; F199-I423 HydrophobicContact CZ-CG2 4.49Å
200Q87.2Confident85.7Confident3 Ų344.2 Ų44.21%0.01423%0.228CC..Hα-helixtrans-62.1-45.9175.4-71167.6-48.300112F196 F197 F202 C203 I204 L223 P425F196-Q200 HydrophobicContact CD1-CG 3.64Å; F196-Q200 HydrophobicContact CE1-CG 3.45Å; F196-Q200 VanDerWaalsContact CE1-CG 3.45Å; F196-Q200 HydrophobicContact CZ-CG 4.48Å; F196-Q200 VanDerWaalsContact O-CG 3.32Å; F196-Q200 WeakPolarHBondContact O-CG 3.48Å; F196-Q200 PolarHBondContact O-N 3.37Å; F197-Q200 PolarHBondContact O-N 3.38Å; Q200-F202 VanDerWaalsContact C-N 3.25Å; Q200-F202 PolarHBondContact O-N 3.24Å; Q200-C203 WeakPolarHBondContact O-CB 3.45Å; Q200-C203 PolarHBondContact O-N 3.18Å; Q200-C203 VanDerWaalsContact O-N 3.09Å; Q200-I204 WeakPolarHBondContact O-CG1 3.35Å; Q200-I204 PolarHBondContact O-N 3.4Å; Q200-L223 HydrophobicContact CB-CD1 3.94Å; Q200-L223 VanDerWaalsContact NE2-CD2 3.27Å; Q200-P425 HydrophobicContact CG-CB 4.33Å; Q200-P425 PolarHBondContact NE2-O 2.91Å
201M88.7Confident85.6Confident58 Ų5845.2 Ų45.229%0.28623%0.233SC..Hα-helixtrans-62.3-36.5176.7-71.8-56.3-56.100111.4F197 V198 I204 L205F197-M201 HydrophobicContact CD1-CG 3.91Å; F197-M201 HydrophobicContact CE1-CG 3.52Å; F197-M201 HydrophobicContact CE1-SD 4.28Å; F197-M201 HydrophobicContact CZ-CG 3.87Å; F197-M201 HydrophobicContact CZ-SD 4.04Å; F197-M201 WeakPolarHBondContact O-CG 3.39Å; F197-M201 PolarHBondContact O-N 3.1Å; V198-M201 PolarHBondContact O-N 3.38Å; M201-I204 PolarHBondContact O-N 3.07Å; M201-I204 HydrophobicContact SD-CD1 4.17Å; M201-L205 WeakPolarHBondContact O-CG 3.2Å; M201-L205 PolarHBondContact O-N 3.36Å
202F88.6Confident85.5Confident84 Ų8443 Ų4337%0.36823%0.225SC..Hα-helixtrans-63.2-41.9171.7176.9-104.5000112.2V198 F199 Q200 I204 L205 L206V198-F202 WeakPolarHBondContact O-CB 3.36Å; V198-F202 PolarHBondContact O-N 3.46Å; F199-F202 WeakPolarHBondContact O-CB 3.48Å; F199-F202 PolarHBondContact O-N 2.61Å; Q200-F202 VanDerWaalsContact C-N 3.25Å; Q200-F202 PolarHBondContact O-N 3.24Å; F202-I204 VanDerWaalsContact C-N 3.31Å; F202-I204 PolarHBondContact O-N 2.85Å; F202-L205 WeakPolarHBondContact O-CB 3.25Å; F202-L205 PolarHBondContact O-N 2.98Å; F202-L206 HydrophobicContact CD1-CD1 4.26Å; F202-L206 HydrophobicContact CE1-CD1 3.73Å; F202-L206 HydrophobicContact CE1-CG 4.2Å; F202-L206 HydrophobicContact CE2-CD2 4.46Å; F202-L206 HydrophobicContact CZ-CD1 4.12Å; F202-L206 HydrophobicContact CZ-CD2 4.08Å; F202-L206 HydrophobicContact CZ-CG 4.22Å; F202-L206 PolarHBondContact O-N 3.24Å; F202-L206 VanDerWaalsContact O-N 3.07Å
203C87.7Confident85.4Confident6 Ų649.6 Ų49.64%0.04125%0.246CC..Hα-helixtrans-61-40.8174.9-62.20000112F199 Q200 L205 L206 W207F199-C203 WeakPolarHBondContact CE1-SG 3.44Å; F199-C203 PolarHBondContact O-N 2.89Å; F199-C203 PolarHBondContact O-SG 3.47Å; Q200-C203 WeakPolarHBondContact O-CB 3.45Å; Q200-C203 PolarHBondContact O-N 3.18Å; Q200-C203 VanDerWaalsContact O-N 3.09Å; C203-L205 VanDerWaalsContact C-N 3.31Å; C203-L205 PolarHBondContact O-N 2.96Å; C203-L206 WeakPolarHBondContact O-CB 3.45Å; C203-L206 PolarHBondContact O-N 3.38Å; C203-L206 VanDerWaalsContact O-N 3.15Å; C203-W207 PolarHBondContact O-N 2.86Å
204I89.2Confident85.5Confident6 Ų656.8 Ų56.83%0.03127%0.272CS..Hα-helixtrans-63.7-38.3176.3-67.8168.2000111.2Q200 M201 F202 L206 W207 C208 T219 L223Q200-I204 WeakPolarHBondContact O-CG1 3.35Å; Q200-I204 PolarHBondContact O-N 3.4Å; M201-I204 PolarHBondContact O-N 3.07Å; M201-I204 HydrophobicContact SD-CD1 4.17Å; F202-I204 VanDerWaalsContact C-N 3.31Å; F202-I204 PolarHBondContact O-N 2.85Å; I204-L206 VanDerWaalsContact C-N 3.32Å; I204-L206 PolarHBondContact O-N 3.05Å; I204-W207 HydrophobicContact CB-CE3 4.37Å; I204-W207 HydrophobicContact CG1-CE3 3.85Å; I204-W207 HydrophobicContact CG1-CZ3 3.8Å; I204-W207 PolarHBondContact O-N 3.45Å; I204-C208 PolarHBondContact O-N 3.41Å; I204-C208 PolarHBondContact O-SG 2.86Å; I204-C208 VanDerWaalsContact O-SG 3.36Å; I204-T219 HydrophobicContact CD1-CG2 4.26Å; I204-L223 HydrophobicContact CD1-CD1 3.52Å
205L87.9Confident85.6Confident103 Ų10356 Ų5654%0.53926%0.262SS..Hα-helixtrans-63.5-38.7174.2-69.8171.7000111.8M201 F202 C203 W207 C208 M209M201-L205 WeakPolarHBondContact O-CG 3.2Å; M201-L205 PolarHBondContact O-N 3.36Å; F202-L205 WeakPolarHBondContact O-CB 3.25Å; F202-L205 PolarHBondContact O-N 2.98Å; C203-L205 VanDerWaalsContact C-N 3.31Å; C203-L205 PolarHBondContact O-N 2.96Å; L205-W207 VanDerWaalsContact C-N 3.33Å; L205-W207 PolarHBondContact O-N 3.17Å; L205-C208 WeakPolarHBondContact O-CB 3.49Å; L205-C208 PolarHBondContact O-N 2.93Å; L205-M209 VanDerWaalsContact O-CG 3.3Å; L205-M209 WeakPolarHBondContact O-CG 3.39Å; L205-M209 PolarHBondContact O-N 2.9Å
206L88Confident85.9Confident13 Ų1353.4 Ų53.47%0.06825%0.245CC..Hα-helixtrans-63.7-37.8173.8-62.9177.8000111.9F202 C203 I204 M209 D210 L413 A416 L417 T420F202-L206 HydrophobicContact CD1-CD1 4.26Å; F202-L206 HydrophobicContact CE1-CD1 3.73Å; F202-L206 HydrophobicContact CE1-CG 4.2Å; F202-L206 HydrophobicContact CE2-CD2 4.46Å; F202-L206 HydrophobicContact CZ-CD1 4.12Å; F202-L206 HydrophobicContact CZ-CD2 4.08Å; F202-L206 HydrophobicContact CZ-CG 4.22Å; F202-L206 PolarHBondContact O-N 3.24Å; F202-L206 VanDerWaalsContact O-N 3.07Å; C203-L206 WeakPolarHBondContact O-CB 3.45Å; C203-L206 PolarHBondContact O-N 3.38Å; C203-L206 VanDerWaalsContact O-N 3.15Å; I204-L206 VanDerWaalsContact C-N 3.32Å; I204-L206 PolarHBondContact O-N 3.05Å; L206-M209 HydrophobicContact CD2-SD 4.18Å; L206-M209 WeakPolarHBondContact O-CB 3.38Å; L206-M209 PolarHBondContact O-N 3.27Å; L206-D210 PolarHBondContact O-N 2.92Å; L206-L413 HydrophobicContact CB-CD1 4.4Å; L206-L413 HydrophobicContact CD2-CD1 4.05Å; L206-A416 HydrophobicContact CD1-CB 4.22Å; L206-L417 HydrophobicContact CB-CD2 3.65Å; L206-T420 HydrophobicContact CD1-CG2 3.89Å
207W87Confident86.4Confident16 Ų1655.8 Ų55.86%0.06126%0.26CS..Hα-helixtrans-67.3-38.4174.5-63.9-29.9000113C203 I204 L205 M209 D210 E211 F212 Y215 S216 T219 L417 P425C203-W207 PolarHBondContact O-N 2.86Å; I204-W207 HydrophobicContact CB-CE3 4.37Å; I204-W207 HydrophobicContact CG1-CE3 3.85Å; I204-W207 HydrophobicContact CG1-CZ3 3.8Å; I204-W207 PolarHBondContact O-N 3.45Å; L205-W207 VanDerWaalsContact C-N 3.33Å; L205-W207 PolarHBondContact O-N 3.17Å; W207-M209 PolarHBondContact O-N 3.05Å; W207-D210 CarbonylContact O-C 3.59Å; W207-D210 PolarHBondContact O-N 3.34Å; W207-D210 VanDerWaalsContact O-N 3.09Å; W207-E211 PolarHBondContact O-N 3.41Å; W207-F212 HydrophobicContact CB-CB 4.24Å; W207-F212 PolarHBondContact O-N 3.38Å; W207-F212 VanDerWaalsContact O-N 3.1Å; W207-Y215 HydrophobicContact CD2-CD1 4.2Å; W207-Y215 AromaticContact CD2-CE1 3.78Å; W207-Y215 HydrophobicContact CD2-CE1 3.78Å; W207-Y215 AromaticContact CE3-CD1 3.91Å; W207-Y215 HydrophobicContact CE3-CD1 3.91Å; W207-Y215 AromaticContact CE3-CE1 3.49Å; W207-Y215 HydrophobicContact CE3-CE1 3.49Å; W207-Y215 VanDerWaalsContact CE3-CE1 3.49Å; W207-Y215 AromaticContact CH2-CE1 3.78Å; W207-Y215 HydrophobicContact CH2-CE1 3.78Å; W207-Y215 HydrophobicContact CZ2-CE1 4.05Å; W207-Y215 HydrophobicContact CZ3-CD1 4.29Å; W207-Y215 AromaticContact CZ3-CE1 3.49Å; W207-Y215 HydrophobicContact CZ3-CE1 3.49Å; W207-Y215 VanDerWaalsContact CZ3-CE1 3.49Å; W207-S216 WeakPolarHBondContact CB-OG 3.27Å; W207-T219 HydrophobicContact CZ3-CG2 4.11Å; W207-L417 HydrophobicContact CG-CD2 4.44Å; W207-P425 HydrophobicContact CH2-CG 3.88Å; W207-P425 HydrophobicContact CZ3-CG 4.42Å
208C86.6Confident86.6Confident42 Ų4259.2 Ų59.228%0.28427%0.274SS..Hα-helixtrans-61.2-35.5171.6-69.50000112I204 L205 D210 E211 S216I204-C208 PolarHBondContact O-N 3.41Å; I204-C208 PolarHBondContact O-SG 2.86Å; I204-C208 VanDerWaalsContact O-SG 3.36Å; L205-C208 WeakPolarHBondContact O-CB 3.49Å; L205-C208 PolarHBondContact O-N 2.93Å; C208-D210 PolarHBondContact O-N 3.04Å; C208-E211 PolarHBondContact O-N 3.4Å; C208-S216 VanDerWaalsContact SG-CB 3.53Å
209M84.3Confident86.5Confident92 Ų9257.7 Ų57.745%0.45327%0.266SS..Hα-helixtrans-69.4-21.9175.8-68.6166.67100112.8L205 L206 W207 Y409 L413L205-M209 VanDerWaalsContact O-CG 3.3Å; L205-M209 WeakPolarHBondContact O-CG 3.39Å; L205-M209 PolarHBondContact O-N 2.9Å; L206-M209 HydrophobicContact CD2-SD 4.18Å; L206-M209 WeakPolarHBondContact O-CB 3.38Å; L206-M209 PolarHBondContact O-N 3.27Å; W207-M209 PolarHBondContact O-N 3.05Å; M209-Y409 HydrophobicContact CE-CE2 4.23Å; M209-Y409 WeakPolarHBondContact CE-OH 3.45Å; M209-L413 HydrophobicContact CB-CD1 4Å; M209-L413 HydrophobicContact CB-CD2 4.05Å; M209-L413 HydrophobicContact CE-CD1 4.35Å
210D81.4Confident86.6Confident11 Ų1156.1 Ų56.16%0.05926%0.262CS..THydrogen-bonded Turntrans-99.216.9177.1-155.753.1000113.9L206 W207 C208 F212 L413 L417 K938L206-D210 PolarHBondContact O-N 2.92Å; W207-D210 CarbonylContact O-C 3.59Å; W207-D210 PolarHBondContact O-N 3.34Å; W207-D210 VanDerWaalsContact O-N 3.09Å; C208-D210 PolarHBondContact O-N 3.04Å; D210-F212 VanDerWaalsContact C-N 3.34Å; D210-F212 HydrophobicContact CB-CD2 4.09Å; D210-F212 HydrophobicContact CB-CE2 4.26Å; D210-F212 PolarHBondContact O-N 3.27Å; D210-F212 VanDerWaalsContact OD2-CE2 3.28Å; D210-F212 WeakPolarHBondContact OD2-CE2 3.43Å; D210-L413 HydrophobicContact CB-CD2 3.95Å; D210-L417 HydrophobicContact CB-CD1 3.79Å; D210-K938 IonicContact OD1-NZ 3.31Å; D210-K938 PolarHBondContact OD1-NZ 3.18Å; D210-K938 IonicContact OD2-NZ 2.73Å; D210-K938 PolarHBondContact OD2-NZ 3.26Å
211E81.1Confident86.7Confident142 Ų14258.5 Ų58.566%0.66428%0.282SS*.THydrogen-bonded Turntrans71.414176.6-51.5178.1175.900115.9W207 C208 W213W207-E211 PolarHBondContact O-N 3.41Å; C208-E211 PolarHBondContact O-N 3.4Å; E211-W213 VanDerWaalsContact O-CD1 3.29Å; E211-W213 PolarHBondContact O-N 3.02Å; E211-W213 VanDerWaalsContact O-N 3.08Å
212F80.7Confident86.6Confident23 Ų2358.1 Ų58.110%0.10128%0.281CS..  trans-82.771.1173-68.1-66.7000112.4W207 D210 S216 F939 D941W207-F212 HydrophobicContact CB-CB 4.24Å; W207-F212 PolarHBondContact O-N 3.38Å; W207-F212 VanDerWaalsContact O-N 3.1Å; D210-F212 VanDerWaalsContact C-N 3.34Å; D210-F212 HydrophobicContact CB-CD2 4.09Å; D210-F212 HydrophobicContact CB-CE2 4.26Å; D210-F212 PolarHBondContact O-N 3.27Å; D210-F212 VanDerWaalsContact OD2-CE2 3.28Å; D210-F212 WeakPolarHBondContact OD2-CE2 3.43Å; F212-S216 WeakPolarHBondContact O-CB 3.45Å; F212-S216 PolarHBondContact O-N 3.46Å; F212-S216 PolarHBondContact O-OG 3.37Å; F212-F939 WeakPolarHBondContact CE1-O 3.42Å; F212-D941 HydrophobicContact CD1-CB 4.37Å
213W85.4Confident86.6Confident158 Ų15854.3 Ų54.360%0.59826%0.264SS*.Hα-helixtrans-70.8-49.5-174-68.285.7000113.6E211 L217 D941E211-W213 VanDerWaalsContact O-CD1 3.29Å; E211-W213 PolarHBondContact O-N 3.02Å; E211-W213 VanDerWaalsContact O-N 3.08Å; W213-L217 WeakPolarHBondContact O-CB 3.34Å; W213-L217 VanDerWaalsContact O-CG 3.23Å; W213-L217 WeakPolarHBondContact O-CG 3.31Å; W213-L217 PolarHBondContact O-N 3.38Å; W213-D941 PolarHBondContact N-OD2 2.89Å
214Y87.1Confident86.7Confident174 Ų17456.8 Ų56.868%0.68228%0.279SS*.Hα-helixtrans-69-46.3-174.7-65.1-69000111.4S216 L217 F218 D941Y214-S216 VanDerWaalsContact C-N 3.34Å; Y214-S216 PolarHBondContact O-N 3.35Å; Y214-L217 PolarHBondContact O-N 3.12Å; Y214-F218 WeakPolarHBondContact O-CB 3.45Å; Y214-F218 PolarHBondContact O-N 3.42Å; Y214-D941 VanDerWaalsContact CB-OD2 3.25Å; Y214-D941 WeakPolarHBondContact CB-OD2 3.24Å; Y214-D941 WeakPolarHBondContact CD2-OD2 3.26Å; Y214-D941 PolarHBondContact N-OD2 2.95Å
215Y85.8Confident86.5Confident19 Ų1960.3 Ų60.38%0.07530%0.301CS..Hα-helixtrans-59-44176.6177.2-113.1000112.1W207 T219 D941 A944W207-Y215 HydrophobicContact CD2-CD1 4.2Å; W207-Y215 AromaticContact CD2-CE1 3.78Å; W207-Y215 HydrophobicContact CD2-CE1 3.78Å; W207-Y215 AromaticContact CE3-CD1 3.91Å; W207-Y215 HydrophobicContact CE3-CD1 3.91Å; W207-Y215 AromaticContact CE3-CE1 3.49Å; W207-Y215 HydrophobicContact CE3-CE1 3.49Å; W207-Y215 VanDerWaalsContact CE3-CE1 3.49Å; W207-Y215 AromaticContact CH2-CE1 3.78Å; W207-Y215 HydrophobicContact CH2-CE1 3.78Å; W207-Y215 HydrophobicContact CZ2-CE1 4.05Å; W207-Y215 HydrophobicContact CZ3-CD1 4.29Å; W207-Y215 AromaticContact CZ3-CE1 3.49Å; W207-Y215 HydrophobicContact CZ3-CE1 3.49Å; W207-Y215 VanDerWaalsContact CZ3-CE1 3.49Å; Y215-T219 WeakPolarHBondContact O-CB 3.4Å; Y215-T219 PolarHBondContact O-N 2.89Å; Y215-T219 PolarHBondContact O-OG1 3.33Å; Y215-D941 WeakPolarHBondContact CB-OD1 3.46Å; Y215-D941 PolarHBondContact N-OD1 3.07Å; Y215-A944 HydrophobicContact CD2-CB 4.3Å; Y215-A944 HydrophobicContact CG-CB 4.24Å
216S88.2Confident86.3Confident1 Ų156.4 Ų56.41%0.00728%0.28CS..Hα-helixtrans-66-43178.6-62.90000112.7W207 C208 F212 Y214 S220W207-S216 WeakPolarHBondContact CB-OG 3.27Å; C208-S216 VanDerWaalsContact SG-CB 3.53Å; F212-S216 WeakPolarHBondContact O-CB 3.45Å; F212-S216 PolarHBondContact O-N 3.46Å; F212-S216 PolarHBondContact O-OG 3.37Å; Y214-S216 VanDerWaalsContact C-N 3.34Å; Y214-S216 PolarHBondContact O-N 3.35Å; S216-S220 VanDerWaalsContact O-CB 3.3Å; S216-S220 WeakPolarHBondContact O-CB 3.43Å; S216-S220 PolarHBondContact O-N 2.99Å; S216-S220 PolarHBondContact O-OG 3.38Å
217L90Very high86.1Confident106 Ų10656.8 Ų56.856%0.55528%0.281SS*.Hα-helixtrans-65.9-42.5177.3-74.3171000112.1W213 Y214 S220 A221W213-L217 WeakPolarHBondContact O-CB 3.34Å; W213-L217 VanDerWaalsContact O-CG 3.23Å; W213-L217 WeakPolarHBondContact O-CG 3.31Å; W213-L217 PolarHBondContact O-N 3.38Å; Y214-L217 PolarHBondContact O-N 3.12Å; L217-S220 WeakPolarHBondContact CA-OG 3.47Å; L217-S220 PolarHBondContact O-OG 2.93Å; L217-A221 WeakPolarHBondContact O-CB 3.36Å; L217-A221 PolarHBondContact O-N 2.85Å
218F88.4Confident86.1Confident89 Ų8957.4 Ų57.439%0.3929%0.289SS..Hα-helixtrans-63.9-48.5176.8179-99.1000111.6Y214 A221 L222 L949Y214-F218 WeakPolarHBondContact O-CB 3.45Å; Y214-F218 PolarHBondContact O-N 3.42Å; F218-A221 PolarHBondContact O-N 2.98Å; F218-L222 WeakPolarHBondContact O-CB 3.22Å; F218-L222 PolarHBondContact O-N 3.03Å; F218-L949 HydrophobicContact CZ-CD1 4.02Å
219T85.7Confident85.8Confident7 Ų758.7 Ų58.74%0.04330%0.296CS..Hα-helixtrans-65.9-41.5-178.3-53.60000111.6I204 W207 Y215 L222 L223 P425I204-T219 HydrophobicContact CD1-CG2 4.26Å; W207-T219 HydrophobicContact CZ3-CG2 4.11Å; Y215-T219 WeakPolarHBondContact O-CB 3.4Å; Y215-T219 PolarHBondContact O-N 2.89Å; Y215-T219 PolarHBondContact O-OG1 3.33Å; T219-L222 PolarHBondContact O-N 3.35Å; T219-L223 HydrophobicContact CG2-CD1 4.33Å; T219-L223 WeakPolarHBondContact O-CG 3.34Å; T219-L223 PolarHBondContact O-N 2.78Å; T219-P425 HydrophobicContact CG2-CB 4.09Å; T219-P425 HydrophobicContact CG2-CG 3.87Å
220S89.6Confident85.4Confident25 Ų2555.8 Ų55.818%0.17528%0.282CS..Hα-helixtrans-62.6-43.2174.654.10000112.6S216 L217 L222 L223 V224S216-S220 VanDerWaalsContact O-CB 3.3Å; S216-S220 WeakPolarHBondContact O-CB 3.43Å; S216-S220 PolarHBondContact O-N 2.99Å; S216-S220 PolarHBondContact O-OG 3.38Å; L217-S220 WeakPolarHBondContact CA-OG 3.47Å; L217-S220 PolarHBondContact O-OG 2.93Å; S220-L222 VanDerWaalsContact C-N 3.34Å; S220-L222 PolarHBondContact O-N 3.46Å; S220-L223 PolarHBondContact O-N 2.92Å; S220-V224 WeakPolarHBondContact O-CG2 3.36Å; S220-V224 PolarHBondContact O-N 2.87Å
221A90.1Very high85.4Confident54 Ų5455.3 Ų55.345%0.44628%0.28SS..Hα-helixtrans-62.2-42.117600000111.8L217 F218 T225L217-A221 WeakPolarHBondContact O-CB 3.36Å; L217-A221 PolarHBondContact O-N 2.85Å; F218-A221 PolarHBondContact O-N 2.98Å; A221-T225 WeakPolarHBondContact O-CB 3.2Å; A221-T225 VanDerWaalsContact O-CG2 3.22Å; A221-T225 WeakPolarHBondContact O-CG2 3.25Å; A221-T225 PolarHBondContact O-N 3.39Å; A221-T225 PolarHBondContact O-OG1 3.49Å
222L86.1Confident85.4Confident50 Ų5052.3 Ų52.326%0.26227%0.266SS..Hα-helixtrans-61.9-45.6176.4-178.862.8000111.8F218 T219 S220 T225 F226 I429 V952F218-L222 WeakPolarHBondContact O-CB 3.22Å; F218-L222 PolarHBondContact O-N 3.03Å; T219-L222 PolarHBondContact O-N 3.35Å; S220-L222 VanDerWaalsContact C-N 3.34Å; S220-L222 PolarHBondContact O-N 3.46Å; L222-T225 PolarHBondContact O-OG1 3.35Å; L222-F226 VanDerWaalsContact O-CB 3.26Å; L222-F226 WeakPolarHBondContact O-CB 3.34Å; L222-F226 PolarHBondContact O-N 2.98Å; L222-I429 HydrophobicContact CG-CD1 4.46Å; L222-V952 HydrophobicContact CD2-CG1 4.49Å; L222-V952 HydrophobicContact CD2-CG2 4.09Å
223L87.5Confident85Confident3 Ų355.9 Ų55.92%0.01628%0.283CS..Hα-helixtrans-63.6-47.9178.7-72.3173.6000112.5F197 Q200 I204 T219 S220 F226 E227 P425 I429F197-L223 HydrophobicContact CE2-CB 4.3Å; Q200-L223 HydrophobicContact CB-CD1 3.94Å; Q200-L223 VanDerWaalsContact NE2-CD2 3.27Å; I204-L223 HydrophobicContact CD1-CD1 3.52Å; T219-L223 HydrophobicContact CG2-CD1 4.33Å; T219-L223 WeakPolarHBondContact O-CG 3.34Å; T219-L223 PolarHBondContact O-N 2.78Å; S220-L223 PolarHBondContact O-N 2.92Å; L223-F226 PolarHBondContact O-N 2.88Å; L223-E227 PolarHBondContact O-N 3.42Å; L223-P425 HydrophobicContact CD1-CB 4.24Å; L223-P425 HydrophobicContact CD2-CB 4.41Å; L223-I429 HydrophobicContact CD2-CD1 3.6Å; L223-I429 HydrophobicContact CD2-CG1 4.27Å
224V89.7Confident84.4Confident58 Ų5849.3 Ų49.335%0.35226%0.259SS..Hα-helixtrans-65.5-43.8-178.4171.20000111.1F188 F197 S220 F226 A228F188-V224 HydrophobicContact CZ-CG1 4.2Å; F197-V224 HydrophobicContact CZ-CG2 4.19Å; S220-V224 WeakPolarHBondContact O-CG2 3.36Å; S220-V224 PolarHBondContact O-N 2.87Å; V224-F226 VanDerWaalsContact C-N 3.31Å; V224-F226 PolarHBondContact O-N 3.3Å; V224-A228 VanDerWaalsContact O-CB 3.29Å; V224-A228 WeakPolarHBondContact O-CB 3.5Å; V224-A228 PolarHBondContact O-N 3.21Å
225T86.9Confident84Confident80 Ų8042 Ų4249%0.49123%0.231SC..Hα-helixtrans-62.7-41.2177.351.80000111.3A221 L222 A228 T229A221-T225 WeakPolarHBondContact O-CB 3.2Å; A221-T225 VanDerWaalsContact O-CG2 3.22Å; A221-T225 WeakPolarHBondContact O-CG2 3.25Å; A221-T225 PolarHBondContact O-N 3.39Å; A221-T225 PolarHBondContact O-OG1 3.49Å; L222-T225 PolarHBondContact O-OG1 3.35Å; T225-A228 PolarHBondContact O-N 3.47Å; T225-T229 VanDerWaalsContact O-CG2 3.3Å; T225-T229 WeakPolarHBondContact O-CG2 3.48Å; T225-T229 PolarHBondContact O-N 3.44Å
226F82.5Confident83.4Confident21 Ų2147.3 Ų47.39%0.09225%0.251CS..Hα-helixtrans-62.4-52177.7-174.9-101000112.6L222 L223 V224 A228 T229 L230 I429 S432 L433L222-F226 VanDerWaalsContact O-CB 3.26Å; L222-F226 WeakPolarHBondContact O-CB 3.34Å; L222-F226 PolarHBondContact O-N 2.98Å; L223-F226 PolarHBondContact O-N 2.88Å; V224-F226 VanDerWaalsContact C-N 3.31Å; V224-F226 PolarHBondContact O-N 3.3Å; F226-A228 VanDerWaalsContact C-N 3.27Å; F226-A228 PolarHBondContact O-N 2.98Å; F226-T229 PolarHBondContact O-N 3.42Å; F226-T229 PolarHBondContact O-OG1 3.41Å; F226-L230 HydrophobicContact CD1-CD1 3.97Å; F226-L230 HydrophobicContact CD1-CG 4.37Å; F226-L230 HydrophobicContact CE1-CD1 3.35Å; F226-L230 HydrophobicContact CE1-CD2 4.4Å; F226-L230 HydrophobicContact CE1-CG 3.87Å; F226-L230 HydrophobicContact CZ-CD1 3.89Å; F226-L230 HydrophobicContact CZ-CD2 4.09Å; F226-L230 HydrophobicContact CZ-CG 4.01Å; F226-L230 PolarHBondContact O-N 3.41Å; F226-I429 HydrophobicContact CB-CG1 4.4Å; F226-I429 HydrophobicContact CD1-CB 4.23Å; F226-I429 HydrophobicContact CD1-CG1 3.66Å; F226-I429 HydrophobicContact CD1-CG2 4.31Å; F226-I429 HydrophobicContact CD2-CG2 3.83Å; F226-I429 HydrophobicContact CE1-CB 4.19Å; F226-I429 HydrophobicContact CE1-CG1 4.07Å; F226-I429 HydrophobicContact CE1-CG2 4.3Å; F226-I429 HydrophobicContact CE2-CG2 3.85Å; F226-I429 HydrophobicContact CG-CB 4.45Å; F226-I429 HydrophobicContact CG-CG1 3.92Å; F226-I429 HydrophobicContact CG-CG2 4.07Å; F226-I429 HydrophobicContact CZ-CB 4.42Å; F226-I429 HydrophobicContact CZ-CG2 4.11Å; F226-S432 VanDerWaalsContact CZ-CB 3.43Å; F226-L433 HydrophobicContact CE2-CD2 4.29Å; F226-L433 HydrophobicContact CE2-CG 4.29Å
227E83.6Confident82.5Confident22 Ų2250.4 Ų50.410%0.10327%0.267CS..Hα-helixtrans-60.7-37.4177.2-71.9-63.8165.500111.8F188 F197 L223 T229 L230 V231F188-E227 HydrophobicContact CE2-CB 4.21Å; F197-E227 HydrophobicContact CD2-CG 3.78Å; F197-E227 HydrophobicContact CE2-CG 3.88Å; L223-E227 PolarHBondContact O-N 3.42Å; E227-T229 PolarHBondContact O-N 3.1Å; E227-L230 PolarHBondContact O-N 3.38Å; E227-V231 WeakPolarHBondContact O-CG2 3.08Å; E227-V231 PolarHBondContact O-N 3.32Å
228A87Confident81.5Confident28 Ų2847.4 Ų47.423%0.23125%0.251CS..Hα-helixtrans-62.1-40.817400000112.4F184 F188 V224 T225 F226 V231 Q232F184-A228 HydrophobicContact CZ-CB 4.19Å; F188-A228 HydrophobicContact CE2-CB 4.39Å; V224-A228 VanDerWaalsContact O-CB 3.29Å; V224-A228 WeakPolarHBondContact O-CB 3.5Å; V224-A228 PolarHBondContact O-N 3.21Å; T225-A228 PolarHBondContact O-N 3.47Å; F226-A228 VanDerWaalsContact C-N 3.27Å; F226-A228 PolarHBondContact O-N 2.98Å; A228-V231 PolarHBondContact O-N 3.17Å; A228-Q232 WeakPolarHBondContact O-CB 3.46Å; A228-Q232 PolarHBondContact O-N 2.87Å
229T80.4Confident80.8Confident69 Ų6947.8 Ų47.842%0.42325%0.254SS..Hα-helixtrans-63.9-40.1174.966.40000112.2T225 F226 E227 Q232 H233T225-T229 VanDerWaalsContact O-CG2 3.3Å; T225-T229 WeakPolarHBondContact O-CG2 3.48Å; T225-T229 PolarHBondContact O-N 3.44Å; F226-T229 PolarHBondContact O-N 3.42Å; F226-T229 PolarHBondContact O-OG1 3.41Å; E227-T229 PolarHBondContact O-N 3.1Å; T229-Q232 PolarHBondContact O-N 3.21Å; T229-H233 PolarHBondContact O-CD2 3.23Å; T229-H233 PolarHBondContact O-N 3.12Å
230L75.9Confident79.9Confident32 Ų3251.4 Ų51.417%0.16827%0.271CS..Hα-helixtrans-64.2-43176.9-70-177.8000112F226 E227 Q232 H233 Q234F226-L230 HydrophobicContact CD1-CD1 3.97Å; F226-L230 HydrophobicContact CD1-CG 4.37Å; F226-L230 HydrophobicContact CE1-CD1 3.35Å; F226-L230 HydrophobicContact CE1-CD2 4.4Å; F226-L230 HydrophobicContact CE1-CG 3.87Å; F226-L230 HydrophobicContact CZ-CD1 3.89Å; F226-L230 HydrophobicContact CZ-CD2 4.09Å; F226-L230 HydrophobicContact CZ-CG 4.01Å; F226-L230 PolarHBondContact O-N 3.41Å; E227-L230 PolarHBondContact O-N 3.38Å; L230-Q232 VanDerWaalsContact C-N 3.32Å; L230-Q232 PolarHBondContact O-N 3.47Å; L230-H233 PolarHBondContact O-N 2.85Å; L230-Q234 PolarHBondContact O-N 3.31Å
231V81.8Confident78.7Confident0 Ų052.2 Ų52.20%027%0.272CS..Hα-helixtrans-61.8-42.4175.3172.40000110.8F184 L187 F188 R191 E227 A228 H233 Q234 L235F184-V231 HydrophobicContact CD2-CB 4.5Å; F184-V231 HydrophobicContact CD2-CG1 3.61Å; F184-V231 HydrophobicContact CE2-CB 4Å; F184-V231 HydrophobicContact CE2-CG1 3.59Å; F184-V231 HydrophobicContact CG-CG1 4.31Å; F184-V231 HydrophobicContact CZ-CG1 4.29Å; L187-V231 HydrophobicContact CB-CG1 3.67Å; L187-V231 HydrophobicContact CD1-CG1 4.33Å; F188-V231 HydrophobicContact CB-CG2 4.38Å; F188-V231 HydrophobicContact CD2-CG2 4.24Å; R191-V231 HydrophobicContact CB-CG2 4.37Å; R191-V231 HydrophobicContact CG-CG2 3.87Å; E227-V231 WeakPolarHBondContact O-CG2 3.08Å; E227-V231 PolarHBondContact O-N 3.32Å; A228-V231 PolarHBondContact O-N 3.17Å; V231-H233 VanDerWaalsContact C-N 3.32Å; V231-H233 PolarHBondContact O-N 3.02Å; V231-Q234 PolarHBondContact O-N 3.25Å; V231-L235 WeakPolarHBondContact O-CB 3.24Å; V231-L235 PolarHBondContact O-N 2.85Å
232Q80.3Confident77.7Confident80 Ų8055.9 Ų55.937%0.37428%0.275SS..Hα-helixtrans-61.7-40.8177.3-172.467.5-5.400112A228 T229 L230 L235 R236A228-Q232 WeakPolarHBondContact O-CB 3.46Å; A228-Q232 PolarHBondContact O-N 2.87Å; T229-Q232 PolarHBondContact O-N 3.21Å; L230-Q232 VanDerWaalsContact C-N 3.32Å; L230-Q232 PolarHBondContact O-N 3.47Å; Q232-L235 PolarHBondContact O-N 2.9Å; Q232-R236 WeakPolarHBondContact O-CG 3.33Å; Q232-R236 PolarHBondContact O-N 3.47Å; Q232-R236 VanDerWaalsContact O-N 3.16Å
233H72.3Confident76.6Confident98 Ų9861.5 Ų61.545%0.45430%0.297SS..Hα-helixtrans-63.7-43.8173.2-81-67.8000112.2T229 L230 V231 L235 R236 N237T229-H233 PolarHBondContact O-CD2 3.23Å; T229-H233 PolarHBondContact O-N 3.12Å; L230-H233 PolarHBondContact O-N 2.85Å; V231-H233 VanDerWaalsContact C-N 3.32Å; V231-H233 PolarHBondContact O-N 3.02Å; H233-L235 VanDerWaalsContact C-N 3.33Å; H233-L235 PolarHBondContact O-N 2.71Å; H233-R236 PolarHBondContact O-N 3.25Å; H233-N237 PolarHBondContact O-N 2.97Å; H233-N237 PolarHBondContact O-OD1 3.01Å
234Q73.4Confident75.3Confident20 Ų2063 Ų639%0.09331%0.305CS..Hα-helixtrans-61.5-41.3177-177.3177.3-38.500112L187 L230 V231 N237 M238L187-Q234 VanDerWaalsContact CD2-NE2 3.35Å; L230-Q234 PolarHBondContact O-N 3.31Å; V231-Q234 PolarHBondContact O-N 3.25Å; Q234-N237 PolarHBondContact O-N 3.07Å; Q234-M238 WeakPolarHBondContact O-CG 3.48Å; Q234-M238 PolarHBondContact O-N 3.31Å; Q234-M238 VanDerWaalsContact O-N 3.07Å
235L79.5Confident74Confident21 Ų2161.4 Ų61.411%0.1130%0.299CS..Hα-helixtrans-65.7-38.9-179.8-172.2143.2000111.8F184 L187 V231 Q232 H233 M238 Q239F184-L235 HydrophobicContact CB-CD1 4.19Å; L187-L235 HydrophobicContact CD1-CB 4.34Å; V231-L235 WeakPolarHBondContact O-CB 3.24Å; V231-L235 PolarHBondContact O-N 2.85Å; Q232-L235 PolarHBondContact O-N 2.9Å; H233-L235 VanDerWaalsContact C-N 3.33Å; H233-L235 PolarHBondContact O-N 2.71Å; L235-M238 PolarHBondContact O-N 3.37Å; L235-Q239 HydrophobicContact CD2-CG 4.21Å; L235-Q239 VanDerWaalsContact CD2-NE2 3.29Å; L235-Q239 WeakPolarHBondContact O-CG 3.07Å; L235-Q239 PolarHBondContact O-N 2.83Å
236R73.6Confident73Confident129 Ų12959.2 Ų59.249%0.48729%0.285SS..Hα-helixtrans-60.6-48.3173.1-73.2176.6178.9178.5-0.4111.8Q232 H233 M238 Q239 E240Q232-R236 WeakPolarHBondContact O-CG 3.33Å; Q232-R236 PolarHBondContact O-N 3.47Å; Q232-R236 VanDerWaalsContact O-N 3.16Å; H233-R236 PolarHBondContact O-N 3.25Å; R236-M238 VanDerWaalsContact C-N 3.28Å; R236-M238 PolarHBondContact O-N 3.14Å; R236-Q239 WeakPolarHBondContact O-CB 3.45Å; R236-Q239 PolarHBondContact O-N 3.42Å; R236-Q239 VanDerWaalsContact O-N 3.16Å; R236-E240 WeakPolarHBondContact O-CG 3.46Å; R236-E240 PolarHBondContact O-N 3.31Å; R236-E240 VanDerWaalsContact O-N 3.09Å
237N68.6Low72.7Confident66 Ų6662 Ų6235%0.35331%0.311SS..Hα-helixtrans-59.8-38.6177.9-65.52.9000111.7H233 Q234 E240 I241H233-N237 PolarHBondContact O-N 2.97Å; H233-N237 PolarHBondContact O-OD1 3.01Å; Q234-N237 PolarHBondContact O-N 3.07Å; N237-E240 WeakPolarHBondContact O-CB 3.45Å; N237-E240 PolarHBondContact O-N 3.02Å; N237-I241 WeakPolarHBondContact O-CG1 3.31Å; N237-I241 PolarHBondContact O-N 3.07Å; N237-I241 VanDerWaalsContact O-N 3.15Å
238M69.5Low72.6Confident44 Ų4464.2 Ų64.222%0.21733%0.328CS..Hα-helixtrans-71.1-36176.9-68.9-172.674.300113.2I181 P182 Q234 L235 R236 E240 I241 R242I181-M238 HydrophobicContact CG2-CB 4.47Å; P182-M238 HydrophobicContact CG-CE 4.11Å; P182-M238 HydrophobicContact CG-SD 4.12Å; Q234-M238 WeakPolarHBondContact O-CG 3.48Å; Q234-M238 PolarHBondContact O-N 3.31Å; Q234-M238 VanDerWaalsContact O-N 3.07Å; L235-M238 PolarHBondContact O-N 3.37Å; R236-M238 VanDerWaalsContact C-N 3.28Å; R236-M238 PolarHBondContact O-N 3.14Å; M238-E240 PolarHBondContact O-N 2.76Å; M238-I241 PolarHBondContact O-N 3.23Å; M238-R242 PolarHBondContact O-N 3.26Å; M238-R242 VanDerWaalsContact O-N 3.13Å
239Q72.5Confident72.5Confident97 Ų9765.7 Ų65.745%0.45333%0.328SS..Hα-helixtrans-62.2-31.5172.6-75.6177.1-15.600112.1I181 L235 R236I181-Q239 HydrophobicContact CD1-CB 4.41Å; I181-Q239 HydrophobicContact CD1-CG 3.8Å; L235-Q239 HydrophobicContact CD2-CG 4.21Å; L235-Q239 VanDerWaalsContact CD2-NE2 3.29Å; L235-Q239 WeakPolarHBondContact O-CG 3.07Å; L235-Q239 PolarHBondContact O-N 2.83Å; R236-Q239 WeakPolarHBondContact O-CB 3.45Å; R236-Q239 PolarHBondContact O-N 3.42Å; R236-Q239 VanDerWaalsContact O-N 3.16Å
240E66.3Low72.9Confident83 Ų8368.3 Ų68.339%0.38834%0.338SS..Hα-helixtrans-72.8-45.2175.3-69.8172.6-177.700112.3R236 N237 M238 R242 K243R236-E240 WeakPolarHBondContact O-CG 3.46Å; R236-E240 PolarHBondContact O-N 3.31Å; R236-E240 VanDerWaalsContact O-N 3.09Å; N237-E240 WeakPolarHBondContact O-CB 3.45Å; N237-E240 PolarHBondContact O-N 3.02Å; M238-E240 PolarHBondContact O-N 2.76Å; E240-R242 PolarHBondContact O-N 3.09Å; E240-K243 WeakPolarHBondContact O-CB 2.86Å; E240-K243 PolarHBondContact O-N 2.96Å
241I64.9Low73.4Confident41 Ų4167.4 Ų67.421%0.2133%0.334CS..Hα-helixtrans-56.1-36.9174.8-64.7171.4000110.3M179 N237 M238 K243 M244 L363 L367M179-I241 HydrophobicContact CE-CG2 4.36Å; M179-I241 WeakPolarHBondContact CE-O 3.47Å; M179-I241 HydrophobicContact SD-CG2 3.61Å; N237-I241 WeakPolarHBondContact O-CG1 3.31Å; N237-I241 PolarHBondContact O-N 3.07Å; N237-I241 VanDerWaalsContact O-N 3.15Å; M238-I241 PolarHBondContact O-N 3.23Å; I241-K243 PolarHBondContact O-N 3.35Å; I241-M244 HydrophobicContact CB-CE 3.82Å; I241-M244 HydrophobicContact CG1-CE 3.91Å; I241-M244 HydrophobicContact CG2-CE 3.45Å; I241-M244 VanDerWaalsContact CG2-CE 3.45Å; I241-M244 VanDerWaalsContact O-CB 3.28Å; I241-M244 WeakPolarHBondContact O-CB 3.47Å; I241-M244 PolarHBondContact O-N 3.49Å; I241-L363 HydrophobicContact CG2-CD1 4.23Å; I241-L367 HydrophobicContact CG2-CD2 4.04Å
242R68.9Low73.7Confident131 Ų13168.7 Ų68.749%0.49434%0.341SS..Hα-helixtrans-58.2-33175.7-173.7176.3173.8-173.21.1113.7I181 M238 E240 M244 G245I181-R242 HydrophobicContact CD1-CB 4.19Å; I181-R242 HydrophobicContact CD1-CG 4.5Å; M238-R242 PolarHBondContact O-N 3.26Å; M238-R242 VanDerWaalsContact O-N 3.13Å; E240-R242 PolarHBondContact O-N 3.09Å; R242-M244 PolarHBondContact O-N 3.17Å; R242-G245 PolarHBondContact O-N 2.92Å
243K62.8Low74.1Confident168 Ų16864.9 Ų64.973%0.7332%0.323SS*.THydrogen-bonded Turntrans-70.2-12.3178.3-62.1176.7-176.5171.90113E240 I241 G245E240-K243 WeakPolarHBondContact O-CB 2.86Å; E240-K243 PolarHBondContact O-N 2.96Å; I241-K243 PolarHBondContact O-N 3.35Å; K243-G245 VanDerWaalsContact C-N 3.34Å
244M60.2Low74.9Confident36 Ų3660.9 Ų60.918%0.17730%0.304CS..THydrogen-bonded Turntrans-77-19.4175.3-60.3-166.1-78.800113.2I241 R242 L363 V883I241-M244 HydrophobicContact CB-CE 3.82Å; I241-M244 HydrophobicContact CG1-CE 3.91Å; I241-M244 HydrophobicContact CG2-CE 3.45Å; I241-M244 VanDerWaalsContact CG2-CE 3.45Å; I241-M244 VanDerWaalsContact O-CB 3.28Å; I241-M244 WeakPolarHBondContact O-CB 3.47Å; I241-M244 PolarHBondContact O-N 3.49Å; R242-M244 PolarHBondContact O-N 3.17Å; M244-L363 HydrophobicContact CE-CD1 4.25Å; M244-V883 HydrophobicContact CE-CG1 3.86Å; M244-V883 HydrophobicContact SD-CB 3.86Å; M244-V883 HydrophobicContact SD-CG1 3.67Å; M244-V883 HydrophobicContact SD-CG2 3.8Å
245G63.2Low75.5Confident23 Ų2361.5 Ų61.524%0.23731%0.305CS..SBendtrans-71.3140.5173.800000111.5R242 K243R242-G245 PolarHBondContact O-N 2.92Å; K243-G245 VanDerWaalsContact C-N 3.34Å
246N66.9Low75.7Confident35 Ų3564.2 Ų64.219%0.18732%0.32CS..PPolyproline II helixtrans-67.3133.7173.7-67.2-22.7000109.8I282N246-I282 PolarHBondContact ND2-O 3.42Å
247A74.7Confident75.9Confident78 Ų7863.8 Ų63.865%0.64533%0.325SS*.PPolyproline II helixtrans-68.8140.8173.300000110
248P81.3Confident76.8Confident70 Ų7067.8 Ų67.846%0.45534%0.339SS..PPolyproline II helixtrans-67.1140-179.328.7-35.6000111T264 E265P248-T264 WeakPolarHBondContact CA-OG1 3.28Å; P248-E265 HydrophobicContact CB-CG 3.91Å
249Y85.3Confident77.6Confident59 Ų5968.5 Ų68.523%0.23134%0.34CS..  trans-138.3173.1176.768.3-89.5000110.5I251 T264 C280 P281 P283Y249-I251 HydrophobicContact CE2-CB 4.25Å; Y249-T264 HydrophobicContact CD1-CG2 3.8Å; Y249-T264 HydrophobicContact CD2-CG2 4.08Å; Y249-T264 HydrophobicContact CE1-CG2 3.62Å; Y249-T264 HydrophobicContact CE2-CG2 3.91Å; Y249-T264 HydrophobicContact CG-CG2 4.02Å; Y249-T264 PolarHBondContact N-OG1 3.04Å; Y249-T264 VanDerWaalsContact N-OG1 3.14Å; Y249-T264 WeakPolarHBondContact O-CG2 3.32Å; Y249-T264 PolarHBondContact O-N 2.79Å; Y249-T264 PolarHBondContact O-OG1 3.3Å; Y249-C280 HydrophobicContact CE2-CB 4.48Å; Y249-P281 HydrophobicContact CD1-CG 4.47Å; Y249-P281 HydrophobicContact CE1-CG 3.97Å; Y249-P281 VanDerWaalsContact CE1-O 3.25Å; Y249-P281 WeakPolarHBondContact CE1-O 3.35Å; Y249-P281 PolarHBondContact OH-O 3.28Å; Y249-P283 WeakPolarHBondContact OH-CD 3.29Å
250L88.3Confident78.4Confident123 Ų12367.1 Ų67.164%0.64434%0.337SS*.EExtended strand (participates in β ladder)trans-93131.1-179.2-65.5173.5000111V262L250-V262 WeakPolarHBondContact CA-O 3.45Å
251I86.6Confident79.5Confident14 Ų1470.4 Ų70.47%0.07235%0.351CS..EExtended strand (participates in β ladder)trans-129.7153.3178.1-165.2164.2000111Y249 K261 V262 T264 L267 I273 S274Y249-I251 HydrophobicContact CE2-CB 4.25Å; I251-K261 WeakPolarHBondContact O-CA 3.41Å; I251-V262 HydrophobicContact CG2-CG2 4.16Å; I251-V262 PolarHBondContact N-O 2.68Å; I251-V262 PolarHBondContact O-N 3.3Å; I251-T264 HydrophobicContact CB-CG2 4.48Å; I251-T264 HydrophobicContact CG2-CG2 4.18Å; I251-L267 HydrophobicContact CG2-CD1 4.18Å; I251-L267 HydrophobicContact CG2-CD2 4.15Å; I251-L267 HydrophobicContact CG2-CG 4.49Å; I251-I273 HydrophobicContact CD1-CB 4.32Å; I251-I273 HydrophobicContact CD1-CD1 3.8Å; I251-S274 WeakPolarHBondContact CG1-O 3.26Å
252N88.9Confident80.7Confident26 Ų2668.9 Ų68.914%0.13934%0.343CS..EExtended strand (participates in β ladder)trans-82.3120.5176.2-63.6-45000109.7W259 K261 I273 S274 P342 D343N252-W259 HydrophobicContact CB-CE3 4.05Å; N252-W259 HydrophobicContact CB-CZ3 4.46Å; N252-K261 WeakPolarHBondContact OD1-CG 3.41Å; N252-I273 CarbonylContact O-C 3.59Å; N252-I273 VanDerWaalsContact O-CA 3.28Å; N252-I273 WeakPolarHBondContact O-CA 3.41Å; N252-S274 PolarHBondContact O-N 2.89Å; N252-P342 HydrophobicContact CB-CG 4.22Å; N252-D343 PolarHBondContact ND2-OD2 2.92Å
253A88.9Confident81.7Confident0 Ų063.9 Ų63.90%033%0.328CS..EExtended strand (participates in β ladder)trans-115.4145172.600000110.9W259 V260 V262 L267 I272 I273A253-W259 CarbonylContact O-C 3.57Å; A253-W259 WeakPolarHBondContact O-CA 3.19Å; A253-V260 PolarHBondContact N-O 2.97Å; A253-V260 PolarHBondContact O-N 3.27Å; A253-V262 HydrophobicContact CB-CG1 4.43Å; A253-V262 HydrophobicContact CB-CG2 3.51Å; A253-L267 HydrophobicContact CB-CD2 4.48Å; A253-I272 CarbonylContact C-O 3.56Å; A253-I272 WeakPolarHBondContact CA-O 3.38Å; A253-I273 HydrophobicContact CB-CG2 4Å
254Y88.3Confident82.8Confident15 Ų1556.2 Ų56.26%0.05930%0.296CS..EExtended strand (participates in β ladder)trans-95.5105177.8-169-101.2000109.5V157 M257 K258 W259 I272 F339V157-Y254 HydrophobicContact CG1-CE1 3.88Å; V157-Y254 WeakPolarHBondContact O-CD1 3.36Å; Y254-M257 HydrophobicContact CE1-SD 4.22Å; Y254-M257 WeakPolarHBondContact OH-CA 3.22Å; Y254-K258 WeakPolarHBondContact CA-O 3.36Å; Y254-W259 AromaticContact CD2-CD2 3.88Å; Y254-W259 HydrophobicContact CD2-CD2 3.88Å; Y254-W259 AromaticContact CD2-CE2 3.79Å; Y254-W259 HydrophobicContact CD2-CE3 4.44Å; Y254-W259 HydrophobicContact CD2-CG 4.08Å; Y254-W259 HydrophobicContact CD2-CZ2 4.32Å; Y254-W259 AromaticContact CD2-NE1 3.91Å; Y254-I272 PolarHBondContact N-O 3.43Å; Y254-F339 HydrophobicContact CE1-CD1 4.47Å; Y254-F339 HydrophobicContact CE1-CE1 4.42Å; Y254-F339 HydrophobicContact CE2-CB 4.44Å; Y254-F339 HydrophobicContact CE2-CG 4.33Å
255R85.6Confident84.1Confident32 Ų3258.1 Ų58.112%0.12130%0.304CS..EExtended strand (participates in β ladder)trans-132.4143.1-179.3-65.2-177.4178.9167.22.9109.4F165 M257 K258 E266 D271F165-R255 VanDerWaalsContact CE2-NH2 3.28Å; R255-M257 PolarHBondContact O-N 2.58Å; R255-K258 PolarHBondContact N-O 3.39Å; R255-K258 PolarHBondContact O-N 2.76Å; R255-E266 PolarHBondContact NH2-O 3.07Å; R255-D271 IonicContact CZ-OD1 2.64Å; R255-D271 IonicContact CZ-OD2 4Å; R255-D271 IonicContact NE-OD1 3.69Å; R255-D271 PolarHBondContact NE-OD1 3.24Å; R255-D271 IonicContact NE-OD2 3.47Å; R255-D271 IonicContact NH2-OD1 3.13Å; R255-D271 IonicContact NH2-OD2 3.4Å; R255-D271 PolarHBondContact NH2-OD2 3.4Å
256N83.4Confident85.3Confident79 Ų7962.1 Ų62.142%0.42232%0.317SS..THydrogen-bonded Turntrans49.343.4-179.1-57.6-11000113.3H159 S160 K258H159-N256 PolarHBondContact O-N 3.36Å; S160-N256 PolarHBondContact O-OD1 2.8Å; N256-K258 PolarHBondContact O-N 3.46Å
257M79.5Confident86.4Confident119 Ų11960.5 Ų60.559%0.58631%0.308SS*.THydrogen-bonded Turntrans60.719.9-177.6-58.1-65.9-71.900115.4V157 Y254 R255V157-M257 HydrophobicContact CG1-CE 4.31Å; V157-M257 HydrophobicContact CG1-SD 3.34Å; V157-M257 WeakPolarHBondContact CG1-SD 3.37Å; Y254-M257 HydrophobicContact CE1-SD 4.22Å; Y254-M257 WeakPolarHBondContact OH-CA 3.22Å; R255-M257 PolarHBondContact O-N 2.58Å
258K85.9Confident87.1Confident151 Ų15156.8 Ų56.866%0.65728%0.277SS*.EExtended strand (participates in β ladder)trans-137147.9179.4-66.3-176.7-177.7178.20111.8Y254 R255 N256Y254-K258 WeakPolarHBondContact CA-O 3.36Å; R255-K258 PolarHBondContact N-O 3.39Å; R255-K258 PolarHBondContact O-N 2.76Å; N256-K258 PolarHBondContact O-N 3.46Å
259W87Confident87.4Confident59 Ų5953.5 Ų53.522%0.22326%0.256CS..EExtended strand (participates in β ladder)trans-77.7121.3170-69.7106.6000110.4N252 A253 Y254 I272 F339 S340 P342 I347N252-W259 HydrophobicContact CB-CE3 4.05Å; N252-W259 HydrophobicContact CB-CZ3 4.46Å; A253-W259 CarbonylContact O-C 3.57Å; A253-W259 WeakPolarHBondContact O-CA 3.19Å; Y254-W259 AromaticContact CD2-CD2 3.88Å; Y254-W259 HydrophobicContact CD2-CD2 3.88Å; Y254-W259 AromaticContact CD2-CE2 3.79Å; Y254-W259 HydrophobicContact CD2-CE3 4.44Å; Y254-W259 HydrophobicContact CD2-CG 4.08Å; Y254-W259 HydrophobicContact CD2-CZ2 4.32Å; Y254-W259 AromaticContact CD2-NE1 3.91Å; W259-I272 HydrophobicContact CH2-CG2 4.47Å; W259-F339 AromaticContact CZ2-CD2 3.97Å; W259-F339 HydrophobicContact CZ2-CD2 3.97Å; W259-F339 HydrophobicContact CZ2-CE2 4.44Å; W259-S340 PolarHBondContact NE1-O 3.33Å; W259-P342 HydrophobicContact CB-CG 4.34Å; W259-P342 HydrophobicContact CD2-CG 4.14Å; W259-P342 HydrophobicContact CE3-CG 4.49Å; W259-P342 HydrophobicContact CG-CG 4.09Å; W259-I347 HydrophobicContact CH2-CG1 4.44Å; W259-I347 HydrophobicContact CZ2-CD1 4.32Å
260V89.7Confident87.4Confident67 Ų6751 Ų5141%0.40625%0.248SC..EExtended strand (participates in β ladder)trans-124.7137.5179.8-177.60000109.1A253 V262A253-V260 PolarHBondContact N-O 2.97Å; A253-V260 PolarHBondContact O-N 3.27Å; V260-V262 HydrophobicContact CG1-CG1 4.12Å; V260-V262 PolarHBondContact O-N 2.98Å
261K89.2Confident87.4Confident153 Ų15345.2 Ų45.267%0.66522%0.218SC*.EExtended strand (participates in β ladder)trans-78.5118.6171.4-74.5-177.8-179.2-177.10109.5I251 N252I251-K261 WeakPolarHBondContact O-CA 3.41Å; N252-K261 WeakPolarHBondContact OD1-CG 3.41Å
262V89.6Confident87.5Confident8 Ų844.5 Ų44.55%0.04821%0.214CC..EExtended strand (participates in β ladder)trans-123.6155.3-179.5-62.50000110.4L250 I251 A253 V260 L267L250-V262 WeakPolarHBondContact CA-O 3.45Å; I251-V262 HydrophobicContact CG2-CG2 4.16Å; I251-V262 PolarHBondContact N-O 2.68Å; I251-V262 PolarHBondContact O-N 3.3Å; A253-V262 HydrophobicContact CB-CG1 4.43Å; A253-V262 HydrophobicContact CB-CG2 3.51Å; V260-V262 HydrophobicContact CG1-CG1 4.12Å; V260-V262 PolarHBondContact O-N 2.98Å; V262-L267 HydrophobicContact CG2-CD2 3.89Å
263S89.9Confident87.4Confident27 Ų2743.3 Ų43.319%0.18921%0.208CC..EExtended strand (participates in β ladder)trans-68.3143.1170.4179.10000110E265 E266S263-E265 PolarHBondContact O-N 2.64Å; S263-E265 VanDerWaalsContact O-N 3.11Å; S263-E265 PolarHBondContact OG-N 2.87Å; S263-E266 PolarHBondContact O-N 2.51Å
264T87.5Confident87.3Confident7 Ų743.3 Ų43.34%0.04321%0.208CC..G310 helixtrans-57.9-23173.748.30000113.7N175 P248 Y249 I251 E266 P283N175-T264 WeakPolarHBondContact CB-O 3.3Å; N175-T264 PolarHBondContact ND2-O 3.38Å; P248-T264 WeakPolarHBondContact CA-OG1 3.28Å; Y249-T264 HydrophobicContact CD1-CG2 3.8Å; Y249-T264 HydrophobicContact CD2-CG2 4.08Å; Y249-T264 HydrophobicContact CE1-CG2 3.62Å; Y249-T264 HydrophobicContact CE2-CG2 3.91Å; Y249-T264 HydrophobicContact CG-CG2 4.02Å; Y249-T264 PolarHBondContact N-OG1 3.04Å; Y249-T264 VanDerWaalsContact N-OG1 3.14Å; Y249-T264 WeakPolarHBondContact O-CG2 3.32Å; Y249-T264 PolarHBondContact O-N 2.79Å; Y249-T264 PolarHBondContact O-OG1 3.3Å; I251-T264 HydrophobicContact CB-CG2 4.48Å; I251-T264 HydrophobicContact CG2-CG2 4.18Å; T264-E266 VanDerWaalsContact C-N 3.35Å; T264-P283 HydrophobicContact CG2-CB 3.67Å; T264-P283 HydrophobicContact CG2-CG 3.65Å
265E87.2Confident86.8Confident76 Ų7643.3 Ų43.336%0.35521%0.209SC..G310 helixtrans-74.1-24.8176.3-69.7177.9173.800113.2N175 P248 S263 L267N175-E265 PolarHBondContact N-O 2.85Å; N175-E265 WeakPolarHBondContact O-CA 3.27Å; P248-E265 HydrophobicContact CB-CG 3.91Å; S263-E265 PolarHBondContact O-N 2.64Å; S263-E265 VanDerWaalsContact O-N 3.11Å; S263-E265 PolarHBondContact OG-N 2.87Å; E265-L267 VanDerWaalsContact C-N 3.32Å
266E88.7Confident86Confident107 Ų10742.6 Ų42.650%0.521%0.211SC..G310 helixtrans-90.94.3-177.9-64.4176.7-178.900112.8R255 S263 T264R255-E266 PolarHBondContact NH2-O 3.07Å; S263-E266 PolarHBondContact O-N 2.51Å; T264-E266 VanDerWaalsContact C-N 3.35Å
267L88.9Confident84.8Confident0 Ų045.3 Ų45.30%022%0.221CC..  trans-70.3140.8175.7-66.2176.6000110.7N175 I251 A253 V262 E265 I273 P283N175-L267 HydrophobicContact CB-CB 4.03Å; N175-L267 VanDerWaalsContact CB-O 3.28Å; N175-L267 WeakPolarHBondContact CB-O 3.33Å; N175-L267 PolarHBondContact N-O 3.28Å; I251-L267 HydrophobicContact CG2-CD1 4.18Å; I251-L267 HydrophobicContact CG2-CD2 4.15Å; I251-L267 HydrophobicContact CG2-CG 4.49Å; A253-L267 HydrophobicContact CB-CD2 4.48Å; V262-L267 HydrophobicContact CG2-CD2 3.89Å; E265-L267 VanDerWaalsContact C-N 3.32Å; L267-I273 HydrophobicContact CD2-CG2 3.73Å; L267-P283 HydrophobicContact CD1-CB 4.46Å; L267-P283 HydrophobicContact CD1-CG 3.68Å
268V89.3Confident83.8Confident0 Ų047.8 Ų47.80%023%0.229CC..  trans-129.2152.1177.7-175.70000109F165 A168 L169 Y172 G270 D271F165-V268 HydrophobicContact CE2-CB 4.33Å; F165-V268 HydrophobicContact CE2-CG2 3.74Å; F165-V268 HydrophobicContact CZ-CG2 4.26Å; A168-V268 HydrophobicContact CB-CG1 3.74Å; L169-V268 HydrophobicContact CB-CG2 4.19Å; L169-V268 HydrophobicContact CD1-CG2 3.6Å; Y172-V268 HydrophobicContact CD2-CG1 4.13Å; V268-G270 PolarHBondContact O-N 3.44Å; V268-D271 PolarHBondContact N-OD2 2.88Å; V268-D271 WeakPolarHBondContact O-CB 3.28Å; V268-D271 PolarHBondContact O-N 2.95Å; V268-D271 VanDerWaalsContact O-N 3.1Å
269A87.3Confident82.6Confident2 Ų243 Ų432%0.01722%0.215CC..THydrogen-bonded Turntrans-53.1134.817100000110.5F144 H159 Y172 V350 L351F144-A269 HydrophobicContact CD1-CB 4.03Å; F144-A269 HydrophobicContact CE1-CB 4.31Å; H159-A269 PolarHBondContact NE2-O 3.48Å; Y172-A269 HydrophobicContact CD1-CB 4.19Å; Y172-A269 HydrophobicContact CD2-CB 3.92Å; Y172-A269 HydrophobicContact CE1-CB 4.41Å; Y172-A269 HydrophobicContact CE2-CB 4.14Å; Y172-A269 HydrophobicContact CG-CB 3.94Å; A269-V350 WeakPolarHBondContact CA-O 3.14Å; A269-L351 WeakPolarHBondContact CB-O 3.27Å
270G85.6Confident81.6Confident7 Ų742 Ų427%0.07222%0.216CC..THydrogen-bonded Turntrans96.2-14.3-17300000116.1V268 Y349 V350V268-G270 PolarHBondContact O-N 3.44Å; G270-Y349 VanDerWaalsContact CA-CZ 3.48Å; G270-Y349 WeakPolarHBondContact CA-OH 2.97Å; G270-V350 PolarHBondContact N-O 3.03Å
271D88.5Confident80.6Confident0 Ų040.2 Ų40.20%021%0.206CC..  trans-64.6143.1172-82.8-38.6000110.9H159 R255 V268 I273 V350H159-D271 IonicContact CD2-OD1 2.76Å; H159-D271 PolarHBondContact CD2-OD1 3.5Å; R255-D271 IonicContact CZ-OD1 2.64Å; R255-D271 IonicContact CZ-OD2 4Å; R255-D271 IonicContact NE-OD1 3.69Å; R255-D271 PolarHBondContact NE-OD1 3.24Å; R255-D271 IonicContact NE-OD2 3.47Å; R255-D271 IonicContact NH2-OD1 3.13Å; R255-D271 IonicContact NH2-OD2 3.4Å; R255-D271 PolarHBondContact NH2-OD2 3.4Å; V268-D271 PolarHBondContact N-OD2 2.88Å; V268-D271 WeakPolarHBondContact O-CB 3.28Å; V268-D271 PolarHBondContact O-N 2.95Å; V268-D271 VanDerWaalsContact O-N 3.1Å; D271-I273 HydrophobicContact CB-CG2 4.45Å; D271-V350 HydrophobicContact CB-CB 4.37Å; D271-V350 HydrophobicContact CB-CG2 4.01Å; D271-V350 WeakPolarHBondContact O-CG2 3.1Å; D271-V350 PolarHBondContact O-N 3.46Å
272I88Confident79.9Confident0 Ų033.1 Ų33.10%018%0.175CC..EExtended strand (participates in β ladder)trans-101.8127.2168.2-63.7174.9000107.6S156 A253 Y254 W259 L289 F339 I347 G348 Y349S156-I272 WeakPolarHBondContact O-CD1 3.47Å; A253-I272 CarbonylContact C-O 3.56Å; A253-I272 WeakPolarHBondContact CA-O 3.38Å; Y254-I272 PolarHBondContact N-O 3.43Å; W259-I272 HydrophobicContact CH2-CG2 4.47Å; I272-L289 HydrophobicContact CD1-CD1 4.49Å; I272-F339 HydrophobicContact CD1-CZ 4.18Å; I272-F339 HydrophobicContact CG2-CE2 4.27Å; I272-I347 HydrophobicContact CG2-CG2 3.44Å; I272-I347 VanDerWaalsContact CG2-CG2 3.44Å; I272-G348 CarbonylContact C-O 3.51Å; I272-G348 WeakPolarHBondContact CA-O 3.25Å; I272-Y349 HydrophobicContact CG1-CD2 4.24Å
273I87.7Confident79.3Confident0 Ų033.1 Ų33.10%018%0.175CC..EExtended strand (participates in β ladder)trans-124.4151.1-176.158.9168.7000112I251 N252 A253 L267 D271 I286 I347 G348 V350I251-I273 HydrophobicContact CD1-CB 4.32Å; I251-I273 HydrophobicContact CD1-CD1 3.8Å; N252-I273 CarbonylContact O-C 3.59Å; N252-I273 VanDerWaalsContact O-CA 3.28Å; N252-I273 WeakPolarHBondContact O-CA 3.41Å; A253-I273 HydrophobicContact CB-CG2 4Å; L267-I273 HydrophobicContact CD2-CG2 3.73Å; D271-I273 HydrophobicContact CB-CG2 4.45Å; I273-I286 HydrophobicContact CD1-CD1 3.26Å; I273-I286 HydrophobicContact CD1-CG1 3.99Å; I273-I286 HydrophobicContact CG1-CD1 4.15Å; I273-I347 WeakPolarHBondContact O-CA 3.09Å; I273-G348 PolarHBondContact N-O 3.38Å; I273-G348 PolarHBondContact O-N 2.9Å; I273-V350 HydrophobicContact CD1-CG2 4.07Å; I273-V350 HydrophobicContact CG1-CG2 4.15Å; I273-V350 HydrophobicContact CG2-CG2 4.16Å
274S86.1Confident78.9Confident1 Ų132.1 Ų32.11%0.00717%0.168CC..EExtended strand (participates in β ladder)trans-100.7131.2170-165.50000110.4I251 N252 A341 D343 C346I251-S274 WeakPolarHBondContact CG1-O 3.26Å; N252-S274 PolarHBondContact O-N 2.89Å; S274-A341 WeakPolarHBondContact OG-CB 3.28Å; S274-D343 WeakPolarHBondContact CB-OD1 3.32Å; S274-D343 PolarHBondContact OG-OD1 3.12Å; S274-C346 WeakPolarHBondContact CA-O 3.44Å
275I77.9Confident78.7Confident15 Ų1532 Ų328%0.07717%0.167CC..EExtended strand (participates in β ladder)trans-107.4106.6176.1-47.1176.9000107I286 L319 I324 I326 G345 C346I275-I286 HydrophobicContact CD1-CD1 3.91Å; I275-L319 HydrophobicContact CD1-CD1 4.14Å; I275-I324 HydrophobicContact CD1-CD1 3.57Å; I275-I324 HydrophobicContact CG2-CD1 3.68Å; I275-I326 HydrophobicContact CG2-CD1 4.14Å; I275-I326 WeakPolarHBondContact O-CD1 3.31Å; I275-G345 CarbonylContact O-C 3.5Å; I275-G345 WeakPolarHBondContact O-CA 3.1Å; I275-C346 PolarHBondContact N-O 2.92Å; I275-C346 PolarHBondContact O-N 3.19Å
276G69.7Low78.4Confident16 Ų1628.5 Ų28.517%0.16515%0.151CC..  trans-99.1170.9-175.600000115.5K278 I326 D343G276-K278 VanDerWaalsContact C-N 3.27Å; G276-K278 PolarHBondContact O-N 2.56Å; G276-I326 WeakPolarHBondContact O-CD1 3.46Å; G276-D343 WeakPolarHBondContact CA-OD2 3.47Å; G276-D343 PolarHBondContact N-OD2 2.9Å
277E57.3Low78Confident136 Ų13623.4 Ų23.464%0.63613%0.127SC*.SBendtrans-49-20.1-161.7-77.7-174.3156.700119.1R328E277-R328 IonicContact OE1-NE 3.97Å
278K59.1Low77.4Confident171 Ų17123.4 Ų23.474%0.74313%0.127SC*.SBendtrans-76.9136.3-179.6-70-175.3-179.8-179.70109.7G276 C280G276-K278 VanDerWaalsContact C-N 3.27Å; G276-K278 PolarHBondContact O-N 2.56Å; K278-C280 VanDerWaalsContact C-N 3.32Å; K278-C280 WeakPolarHBondContact O-CB 3.41Å; K278-C280 PolarHBondContact O-N 3.14Å; K278-C280 PolarHBondContact O-SG 2.69Å; K278-C280 VanDerWaalsContact O-SG 3.34Å
279S59.4Low76.9Confident52 Ų5224 Ų2436%0.36413%0.13SC..  trans-56.797.7169.2-166.80000108.9W323S279-W323 VanDerWaalsContact OG-CE3 3.28Å
280C66.7Low76.2Confident38 Ų3827.2 Ų27.226%0.25714%0.142SC..BIsolated β-bridgetrans-124.5145.8-172.1-77.30000109.2Y249 K278 I324Y249-C280 HydrophobicContact CE2-CB 4.48Å; K278-C280 VanDerWaalsContact C-N 3.32Å; K278-C280 WeakPolarHBondContact O-CB 3.41Å; K278-C280 PolarHBondContact O-N 3.14Å; K278-C280 PolarHBondContact O-SG 2.69Å; K278-C280 VanDerWaalsContact O-SG 3.34Å; C280-I324 PolarHBondContact O-N 3.31Å
281P70Confident75.5Confident28 Ų2827.9 Ų27.918%0.18215%0.148CC..  trans-81.5134.8-17932.2-34.4000113.2Y249 P283 R322Y249-P281 HydrophobicContact CD1-CG 4.47Å; Y249-P281 HydrophobicContact CE1-CG 3.97Å; Y249-P281 VanDerWaalsContact CE1-O 3.25Å; Y249-P281 WeakPolarHBondContact CE1-O 3.35Å; Y249-P281 PolarHBondContact OH-O 3.28Å; P281-P283 WeakPolarHBondContact O-CD 3.43Å; P281-R322 WeakPolarHBondContact CA-O 3.27Å; P281-R322 HydrophobicContact CB-CG 4.38Å; P281-R322 WeakPolarHBondContact CB-O 3.41Å
282I74.4Confident74.6Confident5 Ų529.4 Ų29.43%0.02616%0.159CC..  trans-68.2129.5178.4-42.8-170.3000109.4N246 C284 I286 V295 L319 T321 I324N246-I282 PolarHBondContact ND2-O 3.42Å; I282-C284 WeakPolarHBondContact CG2-O 3.38Å; I282-I286 HydrophobicContact CG2-CD1 3.19Å; I282-I286 HydrophobicContact CG2-CG1 3.88Å; I282-V295 HydrophobicContact CD1-CG1 4.3Å; I282-L319 HydrophobicContact CD1-CB 3.92Å; I282-T321 WeakPolarHBondContact CB-O 3.21Å; I282-T321 WeakPolarHBondContact CD1-OG1 3.47Å; I282-T321 VanDerWaalsContact CG1-OG1 3.23Å; I282-T321 WeakPolarHBondContact CG1-OG1 3.48Å; I282-I324 HydrophobicContact CD1-CD1 3.38Å; I282-I324 HydrophobicContact CD1-CG1 3.75Å; I282-I324 HydrophobicContact CG1-CD1 3.58Å; I282-I324 HydrophobicContact CG1-CG1 3.81Å
283P76.8Confident73.8Confident8 Ų829.4 Ų29.45%0.05216%0.159CC..  trans-85.6-12-178.134.5-37000113.3N175 Y249 T264 L267 P281N175-P283 PolarHBondContact ND2-O 3.43Å; N175-P283 PolarHBondContact OD1-O 2.89Å; Y249-P283 WeakPolarHBondContact OH-CD 3.29Å; T264-P283 HydrophobicContact CG2-CB 3.67Å; T264-P283 HydrophobicContact CG2-CG 3.65Å; L267-P283 HydrophobicContact CD1-CB 4.46Å; L267-P283 HydrophobicContact CD1-CG 3.68Å; P281-P283 WeakPolarHBondContact O-CD 3.43Å
284C81.3Confident73Confident5 Ų529.5 Ų29.53%0.03416%0.159CC..SBendtrans-155.8169.2-171.152.30000111.8I282 V350 R352 T353 T357I282-C284 WeakPolarHBondContact CG2-O 3.38Å; C284-V350 HydrophobicContact CB-CG1 4.14Å; C284-R352 VanDerWaalsContact CB-O 3.3Å; C284-R352 WeakPolarHBondContact CB-O 3.48Å; C284-T353 HydrophobicContact CB-CG2 4.39Å; C284-T357 HydrophobicContact CB-CG2 4.32Å
285D82Confident72.2Confident6 Ų629.5 Ų29.53%0.03216%0.159CC..EExtended strand (participates in β ladder)trans-80.2124.7172.9-62.8-19.1000108.1I318 I320 L351 R352 T357 S358D285-I318 HydrophobicContact CB-CG2 4.37Å; D285-I320 WeakPolarHBondContact OD1-CG2 3.36Å; D285-L351 PolarHBondContact O-N 3.33Å; D285-R352 HydrophobicContact CB-CB 4.11Å; D285-R352 PolarHBondContact N-O 3.35Å; D285-R352 PolarHBondContact O-N 3.44Å; D285-T357 WeakPolarHBondContact OD2-CA 3.08Å; D285-S358 PolarHBondContact OD1-N 3.16Å; D285-S358 PolarHBondContact OD1-OG 3.46Å; D285-S358 PolarHBondContact OD2-N 3.34Å
286I81.8Confident71.6Confident1 Ų130.4 Ų30.41%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-124.8134.6-170.7-57.7168.9000110I273 I275 I282 I318 L319 Y349I273-I286 HydrophobicContact CD1-CD1 3.26Å; I273-I286 HydrophobicContact CD1-CG1 3.99Å; I273-I286 HydrophobicContact CG1-CD1 4.15Å; I275-I286 HydrophobicContact CD1-CD1 3.91Å; I282-I286 HydrophobicContact CG2-CD1 3.19Å; I282-I286 HydrophobicContact CG2-CG1 3.88Å; I286-I318 CarbonylContact O-C 3.5Å; I286-L319 HydrophobicContact CB-CB 4.18Å; I286-L319 HydrophobicContact CB-CD1 4.09Å; I286-L319 HydrophobicContact CG2-CD1 3.99Å; I286-L319 PolarHBondContact N-O 2.87Å; I286-L319 VanDerWaalsContact O-CA 3.29Å; I286-L319 WeakPolarHBondContact O-CA 3.23Å; I286-L319 WeakPolarHBondContact O-CB 2.9Å; I286-L319 PolarHBondContact O-N 3.41Å; I286-Y349 CarbonylContact C-O 3.54Å; I286-Y349 VanDerWaalsContact CA-O 3.27Å; I286-Y349 WeakPolarHBondContact CA-O 3.39Å; I286-Y349 WeakPolarHBondContact CG2-O 2.89Å
287L80.5Confident71.2Confident0 Ų030.2 Ų30.20%016%0.159CC..EExtended strand (participates in β ladder)trans-82.6123.1164.8173.856.6000110.9F150 Y153 L289 L316 S317 G348 Y349 L351F150-L287 HydrophobicContact CD2-CD2 4.25Å; F150-L287 HydrophobicContact CE2-CD1 4.25Å; F150-L287 HydrophobicContact CE2-CD2 4.28Å; F150-L287 HydrophobicContact CE2-CG 4.42Å; Y153-L287 HydrophobicContact CD1-CD2 3.91Å; Y153-L287 HydrophobicContact CD2-CD2 3.71Å; Y153-L287 HydrophobicContact CE1-CD2 4.4Å; Y153-L287 HydrophobicContact CE2-CD2 4.21Å; Y153-L287 HydrophobicContact CG-CD2 3.52Å; L287-L289 HydrophobicContact CD2-CD2 4.48Å; L287-L289 PolarHBondContact O-N 3.48Å; L287-L316 HydrophobicContact CD1-CB 4.25Å; L287-L316 HydrophobicContact CD1-CD1 4.29Å; L287-L316 HydrophobicContact CD1-CD2 4.48Å; L287-L316 HydrophobicContact CD1-CG 3.62Å; L287-L316 HydrophobicContact CD2-CD1 3.68Å; L287-L316 HydrophobicContact CD2-CD2 4.19Å; L287-L316 HydrophobicContact CD2-CG 3.7Å; L287-L316 HydrophobicContact CG-CG 4.21Å; L287-S317 WeakPolarHBondContact CD1-O 3.33Å; L287-G348 CarbonylContact O-C 3.54Å; L287-G348 WeakPolarHBondContact O-CA 3.15Å; L287-Y349 PolarHBondContact N-O 3.41Å; L287-Y349 PolarHBondContact O-N 2.89Å; L287-L351 HydrophobicContact CB-CD1 3.71Å; L287-L351 HydrophobicContact CB-CD2 4.41Å; L287-L351 HydrophobicContact CB-CG 3.98Å
288L76.6Confident71.1Confident1 Ų124.9 Ų24.91%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-68.6115.5175.2-174.366.8000110.7G291 K309 S317 L319 C346L288-G291 WeakPolarHBondContact CD2-O 3.46Å; L288-K309 HydrophobicContact CD2-CB 4.33Å; L288-S317 PolarHBondContact N-O 2.88Å; L288-S317 VanDerWaalsContact N-O 3.09Å; L288-L319 HydrophobicContact CB-CD1 3.89Å; L288-L319 HydrophobicContact CB-CD2 4.41Å; L288-L319 HydrophobicContact CB-CG 4.03Å; L288-L319 HydrophobicContact CD1-CD1 4.04Å; L288-C346 HydrophobicContact CD1-CB 3.92Å
289L77.7Confident70.8Confident12 Ų1217.1 Ų17.16%0.06310%0.103CC..EExtended strand (participates in β ladder)trans-90.2-44.7175.7-64.3-179.9000111.4I272 L287 Q311 I347I272-L289 HydrophobicContact CD1-CD1 4.49Å; L287-L289 HydrophobicContact CD2-CD2 4.48Å; L287-L289 PolarHBondContact O-N 3.48Å; L289-Q311 PolarHBondContact O-NE2 3.37Å; L289-I347 WeakPolarHBondContact CA-O 3.36Å; L289-I347 HydrophobicContact CB-CG2 4.46Å; L289-I347 WeakPolarHBondContact CB-O 3.13Å; L289-I347 HydrophobicContact CD1-CG2 4.35Å; L289-I347 PolarHBondContact N-O 3.03Å
290R73.5Confident70.6Confident70 Ų7016.8 Ų16.826%0.26410%0.097SC..EExtended strand (participates in β ladder)trans-148.2147.3-174.6-60.5-176.8177.9160.2-1.3112.9D338 C346 I347R290-D338 IonicContact CZ-OD1 3.63Å; R290-D338 IonicContact CZ-OD2 3.27Å; R290-D338 IonicContact NH1-OD1 3.54Å; R290-D338 PolarHBondContact NH1-OD1 3.37Å; R290-D338 VanDerWaalsContact NH2-CG 3.26Å; R290-D338 IonicContact NH2-OD1 2.78Å; R290-D338 PolarHBondContact NH2-OD1 3.04Å; R290-D338 IonicContact NH2-OD2 2.82Å; R290-C346 CarbonylContact O-C 3.46Å; R290-C346 VanDerWaalsContact O-CA 3.3Å; R290-C346 WeakPolarHBondContact O-CA 3.38Å; R290-C346 WeakPolarHBondContact O-CB 3.03Å; R290-I347 HydrophobicContact CB-CB 4.21Å; R290-I347 PolarHBondContact N-O 3.43Å; R290-I347 PolarHBondContact O-N 2.9Å
291G69.9Low70Confident20 Ų2017.2 Ų17.221%0.20610%0.099CC..SBendtrans90143.2177.100000113.1L288 C346L288-G291 WeakPolarHBondContact CD2-O 3.46Å; G291-C346 VanDerWaalsContact C-SG 3.59Å
292P70.8Confident68.9Low33 Ų3316.1 Ų16.121%0.2149%0.093CC..  trans-80.3137.317232.8-31.6000110.5V310 C346P292-V310 HydrophobicContact CB-CG2 4.36Å; P292-C346 PolarHBondContact O-SG 3.27Å
293C71.5Confident67.9Low0 Ų020.4 Ų20.40%011%0.112CC..EExtended strand (participates in β ladder)trans-136.6150.1175.459.30000110.8V295 K309 L319 I324C293-V295 HydrophobicContact CB-CG2 4.48Å; C293-K309 PolarHBondContact N-O 3.24Å; C293-K309 PolarHBondContact O-N 2.94Å; C293-L319 VanDerWaalsContact SG-CD2 3.56Å; C293-I324 HydrophobicContact CB-CG2 3.85Å
294I70Confident66.6Low1 Ų123.8 Ų23.81%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-101130.8171.2-52.4171000106.9P306 Q307 I324 W325 I327 V508 L510 I515I294-P306 HydrophobicContact CG2-CB 3.6Å; I294-Q307 WeakPolarHBondContact CA-O 3.27Å; I294-I324 CarbonylContact O-C 3.58Å; I294-I324 VanDerWaalsContact O-CA 3.28Å; I294-I324 WeakPolarHBondContact O-CA 3.46Å; I294-I324 WeakPolarHBondContact O-CG2 3.47Å; I294-W325 WeakPolarHBondContact CA-O 3.44Å; I294-W325 HydrophobicContact CB-CB 4.12Å; I294-W325 WeakPolarHBondContact CB-O 3.3Å; I294-W325 HydrophobicContact CD1-CB 4.38Å; I294-W325 PolarHBondContact N-O 2.83Å; I294-W325 PolarHBondContact O-N 3.08Å; I294-I327 HydrophobicContact CD1-CD1 3.86Å; I294-I327 HydrophobicContact CD1-CG1 3.87Å; I294-I327 HydrophobicContact CG1-CD1 3.91Å; I294-I327 HydrophobicContact CG1-CG1 4.09Å; I294-V508 HydrophobicContact CD1-CB 4.12Å; I294-V508 HydrophobicContact CD1-CG1 3.85Å; I294-V508 HydrophobicContact CD1-CG2 4.38Å; I294-L510 HydrophobicContact CD1-CD1 4.03Å; I294-L510 HydrophobicContact CD1-CD2 3.76Å; I294-L510 HydrophobicContact CD1-CG 3.94Å; I294-I515 HydrophobicContact CG2-CG2 4.16Å
295V69.4Low65.5Low1 Ų124.4 Ų24.41%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-130.3128.3-166.9-150.60000108.9I282 C293 E297 P306 Q307 K309 L319 T321 I324I282-V295 HydrophobicContact CD1-CG1 4.3Å; C293-V295 HydrophobicContact CB-CG2 4.48Å; V295-E297 PolarHBondContact O-N 2.87Å; V295-P306 CarbonylContact O-C 3.5Å; V295-P306 VanDerWaalsContact O-CA 3.31Å; V295-P306 WeakPolarHBondContact O-CA 3.45Å; V295-Q307 PolarHBondContact N-O 3.33Å; V295-Q307 PolarHBondContact O-N 3.33Å; V295-K309 HydrophobicContact CG2-CB 4.09Å; V295-K309 HydrophobicContact CG2-CD 4.12Å; V295-K309 HydrophobicContact CG2-CG 4.09Å; V295-L319 HydrophobicContact CG1-CD2 4.15Å; V295-L319 HydrophobicContact CG2-CD2 3.56Å; V295-T321 HydrophobicContact CB-CG2 4.08Å; V295-T321 HydrophobicContact CG1-CG2 3.11Å; V295-T321 WeakPolarHBondContact CG1-OG1 3.36Å; V295-I324 HydrophobicContact CG1-CG1 3.96Å
296D65.6Low64.6Low35 Ų3525.1 Ų25.119%0.18714%0.144CC..EExtended strand (participates in β ladder)trans-9195.8176.9-171.5-9.6000110.7S298 P306 T321 W323D296-S298 VanDerWaalsContact C-N 3.34Å; D296-S298 WeakPolarHBondContact OD1-CB 3.38Å; D296-S298 PolarHBondContact OD1-N 3.17Å; D296-S298 VanDerWaalsContact OD1-N 3.13Å; D296-S298 PolarHBondContact OD1-OG 3.24Å; D296-P306 HydrophobicContact CB-CB 4.47Å; D296-T321 VanDerWaalsContact O-CB 3.23Å; D296-T321 WeakPolarHBondContact O-CB 3.37Å; D296-T321 WeakPolarHBondContact O-CG2 3.27Å; D296-W323 HydrophobicContact CB-CB 4.28Å; D296-W323 PolarHBondContact N-O 3.48Å
297E61.2Low63.6Low11 Ų1128.6 Ų28.65%0.05116%0.161CC..  trans-89.69.2179.4-74.2-173.9170.600114V295 L299 L300 T301 K309 I320 T321V295-E297 PolarHBondContact O-N 2.87Å; E297-L299 PolarHBondContact O-N 3.21Å; E297-L300 PolarHBondContact O-N 3.37Å; E297-T301 HydrophobicContact CB-CG2 3.8Å; E297-T301 VanDerWaalsContact CB-OG1 3.26Å; E297-T301 WeakPolarHBondContact CB-OG1 3.31Å; E297-T301 HydrophobicContact CG-CG2 4.38Å; E297-T301 PolarHBondContact O-N 3.38Å; E297-T301 PolarHBondContact O-OG1 3.39Å; E297-T301 VanDerWaalsContact O-OG1 3.05Å; E297-K309 WeakPolarHBondContact OE1-CE 3.25Å; E297-K309 IonicContact OE1-NZ 3.9Å; E297-K309 PolarHBondContact OE1-NZ 3.36Å; E297-K309 WeakPolarHBondContact OE2-CE 3.37Å; E297-K309 IonicContact OE2-NZ 2.7Å; E297-K309 PolarHBondContact OE2-NZ 3.41Å; E297-I320 PolarHBondContact OE1-N 2.86Å; E297-T321 HydrophobicContact CB-CG2 3.94Å; E297-T321 HydrophobicContact CG-CG2 2.97Å
298S56.1Low62.9Low25 Ų2530.1 Ų30.118%0.17517%0.168CC..THydrogen-bonded Turntrans-55.4-30.9-174.958.50000114.6D296 L300 G302 E303D296-S298 VanDerWaalsContact C-N 3.34Å; D296-S298 WeakPolarHBondContact OD1-CB 3.38Å; D296-S298 PolarHBondContact OD1-N 3.17Å; D296-S298 VanDerWaalsContact OD1-N 3.13Å; D296-S298 PolarHBondContact OD1-OG 3.24Å; S298-L300 VanDerWaalsContact C-N 3.31Å; S298-L300 PolarHBondContact O-N 2.72Å; S298-G302 WeakPolarHBondContact O-CA 3.22Å; S298-E303 WeakPolarHBondContact CA-O 3.49Å; S298-E303 VanDerWaalsContact CB-O 3.28Å; S298-E303 WeakPolarHBondContact CB-O 3.26Å; S298-E303 PolarHBondContact N-O 3.04Å
299L52.7Low62.4Low8 Ų831.6 Ų31.64%0.04218%0.175CC..THydrogen-bonded Turntrans-66.3-28175.7-166144.7000113.9E297 Q359 L362 D880E297-L299 PolarHBondContact O-N 3.21Å; L299-Q359 HydrophobicContact CD2-CB 4.4Å; L299-Q359 HydrophobicContact CD2-CG 4.04Å; L299-L362 HydrophobicContact CD2-CD2 3.59Å; L299-L362 HydrophobicContact CG-CD2 4.37Å; L299-D880 HydrophobicContact CB-CB 3.73Å; L299-D880 VanDerWaalsContact CD1-CA 3.45Å; L299-D880 HydrophobicContact CD1-CB 3.49Å; L299-D880 VanDerWaalsContact CD1-CB 3.49Å; L299-D880 WeakPolarHBondContact CD1-O 3.43Å; L299-D880 HydrophobicContact CG-CB 3.64Å; L299-D880 VanDerWaalsContact CG-O 3.25Å; L299-D880 WeakPolarHBondContact CG-O 3.43Å
300L54.9Low61.7Low45 Ų4533.2 Ų33.224%0.23619%0.185CC..THydrogen-bonded Turntrans-124.9-46-159.8-70.2163.1000114.3E297 S298 G302 I320 S358 Q359E297-L300 PolarHBondContact O-N 3.37Å; S298-L300 VanDerWaalsContact C-N 3.31Å; S298-L300 PolarHBondContact O-N 2.72Å; L300-G302 VanDerWaalsContact C-N 3.31Å; L300-I320 VanDerWaalsContact CD1-C 3.49Å; L300-I320 HydrophobicContact CD1-CB 4.2Å; L300-I320 HydrophobicContact CD1-CG2 3.41Å; L300-I320 VanDerWaalsContact CD1-CG2 3.41Å; L300-I320 WeakPolarHBondContact CD1-O 3.46Å; L300-I320 HydrophobicContact CG-CG2 4.44Å; L300-S358 WeakPolarHBondContact CD1-OG 3.45Å; L300-Q359 HydrophobicContact CD2-CB 4.45Å
301T52.8Low60.8Low47 Ų4733.3 Ų33.329%0.28819%0.189SC..THydrogen-bonded Turntrans-86.9-14.9173.859.80000111.5E297 E303 N789E297-T301 HydrophobicContact CB-CG2 3.8Å; E297-T301 VanDerWaalsContact CB-OG1 3.26Å; E297-T301 WeakPolarHBondContact CB-OG1 3.31Å; E297-T301 HydrophobicContact CG-CG2 4.38Å; E297-T301 PolarHBondContact O-N 3.38Å; E297-T301 PolarHBondContact O-OG1 3.39Å; E297-T301 VanDerWaalsContact O-OG1 3.05Å; T301-E303 PolarHBondContact O-N 3.43Å; T301-E303 PolarHBondContact OG1-N 3.09Å; T301-N789 PolarHBondContact O-ND2 2.94Å; T301-N789 PolarHBondContact O-OD1 3.3Å
302G48.3Very low59.8Low5 Ų535.9 Ų35.95%0.05220%0.198CC..  trans73.16.1-17700000115.3S298 L300 S304 T788S298-G302 WeakPolarHBondContact O-CA 3.22Å; L300-G302 VanDerWaalsContact C-N 3.31Å; G302-S304 PolarHBondContact O-N 3.33Å; G302-T788 VanDerWaalsContact CA-C 3.44Å; G302-T788 WeakPolarHBondContact CA-O 3.33Å; G302-T788 WeakPolarHBondContact O-CB 3.31Å; G302-T788 PolarHBondContact O-OG1 2.95Å
303E51.8Low58.4Low95 Ų9540.6 Ų40.644%0.44422%0.22SC..  trans-79.8115.4171.3-64.8-169.5-161.300108.8S298 T301 V305 Q307S298-E303 WeakPolarHBondContact CA-O 3.49Å; S298-E303 VanDerWaalsContact CB-O 3.28Å; S298-E303 WeakPolarHBondContact CB-O 3.26Å; S298-E303 PolarHBondContact N-O 3.04Å; T301-E303 PolarHBondContact O-N 3.43Å; T301-E303 PolarHBondContact OG1-N 3.09Å; E303-V305 PolarHBondContact O-N 3.48Å; E303-Q307 PolarHBondContact OE2-NE2 2.89Å
304S49.5Very low57Low78 Ų7848.5 Ų48.555%0.54526%0.262SS..SBendtrans-631.4-177.456.40000114.7G302G302-S304 PolarHBondContact O-N 3.33Å
305V58.8Low55.5Low19 Ų1953.9 Ų53.912%0.11529%0.285CS..SBendtrans-125132.6-167.2174.60000110.7E303 Q307 G516 P518E303-V305 PolarHBondContact O-N 3.48Å; V305-Q307 PolarHBondContact O-N 2.94Å; V305-G516 WeakPolarHBondContact CG1-O 3.32Å; V305-P518 HydrophobicContact CG2-CG 3.49Å; V305-P518 VanDerWaalsContact CG2-CG 3.49Å
306P62.9Low54.1Low20 Ų2056 Ų5613%0.1330%0.296CS..PPolyproline II helixtrans-63.3133.3176.3-1222.9000111.1I294 V295 D296 I515I294-P306 HydrophobicContact CG2-CB 3.6Å; V295-P306 CarbonylContact O-C 3.5Å; V295-P306 VanDerWaalsContact O-CA 3.31Å; V295-P306 WeakPolarHBondContact O-CA 3.45Å; D296-P306 HydrophobicContact CB-CB 4.47Å; P306-I515 HydrophobicContact CB-CG2 3.58Å; P306-I515 HydrophobicContact CG-CG2 3.51Å
307Q61.4Low53.3Low75 Ų7555.1 Ų55.135%0.3529%0.292SS..EExtended strand (participates in β ladder)trans-103.2141.6176.7-70.1-165.6-800111.2I294 V295 E303 V305I294-Q307 WeakPolarHBondContact CA-O 3.27Å; V295-Q307 PolarHBondContact N-O 3.33Å; V295-Q307 PolarHBondContact O-N 3.33Å; E303-Q307 PolarHBondContact OE2-NE2 2.89Å; V305-Q307 PolarHBondContact O-N 2.94Å
308M66.2Low52.6Low32 Ų3256.9 Ų56.916%0.15830%0.302CS..EExtended strand (participates in β ladder)trans-76.6125168.7-176.9-174.9-11300109.4V310 I327 V508M308-V310 HydrophobicContact CG-CG2 4.29Å; M308-V310 HydrophobicContact SD-CG2 4.47Å; M308-I327 HydrophobicContact CE-CD1 3.27Å; M308-V508 HydrophobicContact CB-CG2 4.13Å; M308-V508 HydrophobicContact CE-CB 4.44Å; M308-V508 HydrophobicContact CE-CG1 4.26Å; M308-V508 HydrophobicContact CE-CG2 3.32Å; M308-V508 HydrophobicContact CG-CG2 4.35Å; M308-V508 HydrophobicContact SD-CG2 3.86Å
309K65.2Low52.3Low31 Ų3155.7 Ų55.714%0.13529%0.293CS..EExtended strand (participates in β ladder)trans-111.4127.9172.2-71.6-168.7169.5-179.90110.2L288 C293 V295 E297 I318 L319L288-K309 HydrophobicContact CD2-CB 4.33Å; C293-K309 PolarHBondContact N-O 3.24Å; C293-K309 PolarHBondContact O-N 2.94Å; V295-K309 HydrophobicContact CG2-CB 4.09Å; V295-K309 HydrophobicContact CG2-CD 4.12Å; V295-K309 HydrophobicContact CG2-CG 4.09Å; E297-K309 WeakPolarHBondContact OE1-CE 3.25Å; E297-K309 IonicContact OE1-NZ 3.9Å; E297-K309 PolarHBondContact OE1-NZ 3.36Å; E297-K309 WeakPolarHBondContact OE2-CE 3.37Å; E297-K309 IonicContact OE2-NZ 2.7Å; E297-K309 PolarHBondContact OE2-NZ 3.41Å; K309-I318 PolarHBondContact NZ-O 2.9Å; K309-L319 HydrophobicContact CB-CD2 4.46Å; K309-L319 HydrophobicContact CD-CD2 4.02Å
310V64.1Low52Low47 Ų4757.4 Ų57.429%0.28530%0.302SS..  trans-117.3157.7174-173.20000108.3P292 M308 N312 S317 H554P292-V310 HydrophobicContact CB-CG2 4.36Å; M308-V310 HydrophobicContact CG-CG2 4.29Å; M308-V310 HydrophobicContact SD-CG2 4.47Å; V310-N312 PolarHBondContact O-N 2.97Å; V310-S317 PolarHBondContact O-OG 3.42Å; V310-H554 WeakPolarHBondContact CG2-NE2 3.36Å
311Q53Low51.7Low72 Ų7255.4 Ų55.434%0.33629%0.292SS..  trans-55.1111.5170.9-172.8-175.629.800109.8F150 L289F150-Q311 HydrophobicContact CE1-CG 4.33Å; F150-Q311 HydrophobicContact CZ-CG 4Å; L289-Q311 PolarHBondContact O-NE2 3.37Å
312N48.8Very low51Low74 Ų7455.6 Ų55.640%0.39629%0.287SS..  trans-102.1118.4170.7-85.3-25000108.8V310 L314V310-N312 PolarHBondContact O-N 2.97Å; N312-L314 PolarHBondContact O-N 2.66Å
313L43.2Very low50.4Low132 Ų13260.3 Ų60.369%0.69130%0.304SS*.SBendtrans-64.7-21.8176-80.4130.8000113.4
314L41.3Very low50Low166 Ų16655.9 Ų55.987%0.86928%0.283SS*.SBendtrans-99-19.1-170.8-74.3159000114.9N312N312-L314 PolarHBondContact O-N 2.66Å
315K38.5Very low49.5Very low113 Ų11357.8 Ų57.849%0.49128%0.279SS..SBendtrans-142.8139.9179.8-88.4-176177.9177.40110.5S317 S558K315-S317 PolarHBondContact O-N 2.88Å; K315-S558 PolarHBondContact NZ-OG 3.34Å
316L40.8Very low48.7Very low47 Ų4758.3 Ų58.325%0.24628%0.28CS..  trans-57.4100.6171.5-131.477.8000109.1F150 Y153 L287 I318 L351F150-L316 HydrophobicContact CD2-CD1 4.19Å; Y153-L316 HydrophobicContact CD2-CD1 3.82Å; Y153-L316 HydrophobicContact CE2-CD1 3.5Å; Y153-L316 VanDerWaalsContact CE2-CD1 3.5Å; Y153-L316 HydrophobicContact CE2-CD2 4.34Å; Y153-L316 HydrophobicContact CE2-CG 4.49Å; L287-L316 HydrophobicContact CD1-CB 4.25Å; L287-L316 HydrophobicContact CD1-CD1 4.29Å; L287-L316 HydrophobicContact CD1-CD2 4.48Å; L287-L316 HydrophobicContact CD1-CG 3.62Å; L287-L316 HydrophobicContact CD2-CD1 3.68Å; L287-L316 HydrophobicContact CD2-CD2 4.19Å; L287-L316 HydrophobicContact CD2-CG 3.7Å; L287-L316 HydrophobicContact CG-CG 4.21Å; L316-I318 HydrophobicContact CB-CG1 4.18Å; L316-I318 HydrophobicContact CD2-CD1 4.03Å; L316-I318 HydrophobicContact CD2-CG1 3.93Å; L316-I318 HydrophobicContact CG-CG1 4.32Å; L316-I318 PolarHBondContact O-N 3.43Å; L316-L351 HydrophobicContact CD2-CD1 4.14Å; L316-L351 HydrophobicContact CD2-CD2 4.43Å
317S47Very low47.5Very low15 Ų1559.6 Ų59.611%0.10529%0.286CS..  trans-75.478170.5-70.60000109L287 L288 V310 K315 L319L287-S317 WeakPolarHBondContact CD1-O 3.33Å; L288-S317 PolarHBondContact N-O 2.88Å; L288-S317 VanDerWaalsContact N-O 3.09Å; V310-S317 PolarHBondContact O-OG 3.42Å; K315-S317 PolarHBondContact O-N 2.88Å; S317-L319 PolarHBondContact O-N 3.39Å
318I48.3Very low46.2Very low48 Ų4865.3 Ų65.325%0.24630%0.304CS..EExtended strand (participates in β ladder)trans-69.1116.6171.8-48.9-179.6000107.3D285 I286 K309 L316 I320 L351D285-I318 HydrophobicContact CB-CG2 4.37Å; I286-I318 CarbonylContact O-C 3.5Å; K309-I318 PolarHBondContact NZ-O 2.9Å; L316-I318 HydrophobicContact CB-CG1 4.18Å; L316-I318 HydrophobicContact CD2-CD1 4.03Å; L316-I318 HydrophobicContact CD2-CG1 3.93Å; L316-I318 HydrophobicContact CG-CG1 4.32Å; L316-I318 PolarHBondContact O-N 3.43Å; I318-I320 HydrophobicContact CB-CD1 4.17Å; I318-I320 HydrophobicContact CB-CG1 3.99Å; I318-I320 HydrophobicContact CG2-CD1 3.75Å; I318-I320 HydrophobicContact CG2-CG1 3.33Å; I318-L351 HydrophobicContact CB-CD1 4.15Å; I318-L351 HydrophobicContact CD1-CD1 3.89Å; I318-L351 HydrophobicContact CG1-CD1 3.63Å; I318-L351 HydrophobicContact CG2-CD1 3.67Å
319L48.8Very low44.7Very low0 Ų066 Ų660%031%0.31CS..EExtended strand (participates in β ladder)trans-74.5120.8162.6-56.8162.3000108.2I275 I282 I286 L288 C293 V295 K309 S317I275-L319 HydrophobicContact CD1-CD1 4.14Å; I282-L319 HydrophobicContact CD1-CB 3.92Å; I286-L319 HydrophobicContact CB-CB 4.18Å; I286-L319 HydrophobicContact CB-CD1 4.09Å; I286-L319 HydrophobicContact CG2-CD1 3.99Å; I286-L319 PolarHBondContact N-O 2.87Å; I286-L319 VanDerWaalsContact O-CA 3.29Å; I286-L319 WeakPolarHBondContact O-CA 3.23Å; I286-L319 WeakPolarHBondContact O-CB 2.9Å; I286-L319 PolarHBondContact O-N 3.41Å; L288-L319 HydrophobicContact CB-CD1 3.89Å; L288-L319 HydrophobicContact CB-CD2 4.41Å; L288-L319 HydrophobicContact CB-CG 4.03Å; L288-L319 HydrophobicContact CD1-CD1 4.04Å; C293-L319 VanDerWaalsContact SG-CD2 3.56Å; V295-L319 HydrophobicContact CG1-CD2 4.15Å; V295-L319 HydrophobicContact CG2-CD2 3.56Å; K309-L319 HydrophobicContact CB-CD2 4.46Å; K309-L319 HydrophobicContact CD-CD2 4.02Å; S317-L319 PolarHBondContact O-N 3.39Å
320I47.2Very low43.2Very low44 Ų4472.3 Ų72.323%0.22634%0.341CS..  trans-136.279.7-175.6-51.7-178.3000106.8D285 E297 L300 I318 S358D285-I320 WeakPolarHBondContact OD1-CG2 3.36Å; E297-I320 PolarHBondContact OE1-N 2.86Å; L300-I320 VanDerWaalsContact CD1-C 3.49Å; L300-I320 HydrophobicContact CD1-CB 4.2Å; L300-I320 HydrophobicContact CD1-CG2 3.41Å; L300-I320 VanDerWaalsContact CD1-CG2 3.41Å; L300-I320 WeakPolarHBondContact CD1-O 3.46Å; L300-I320 HydrophobicContact CG-CG2 4.44Å; I318-I320 HydrophobicContact CB-CD1 4.17Å; I318-I320 HydrophobicContact CB-CG1 3.99Å; I318-I320 HydrophobicContact CG2-CD1 3.75Å; I318-I320 HydrophobicContact CG2-CG1 3.33Å; I320-S358 WeakPolarHBondContact CG2-OG 3.39Å
321T46.8Very low41.4Very low4 Ų478.2 Ų78.23%0.02537%0.37CS..  trans-152.5173.8-171.157.40000118.3I282 V295 D296 E297I282-T321 WeakPolarHBondContact CB-O 3.21Å; I282-T321 WeakPolarHBondContact CD1-OG1 3.47Å; I282-T321 VanDerWaalsContact CG1-OG1 3.23Å; I282-T321 WeakPolarHBondContact CG1-OG1 3.48Å; V295-T321 HydrophobicContact CB-CG2 4.08Å; V295-T321 HydrophobicContact CG1-CG2 3.11Å; V295-T321 WeakPolarHBondContact CG1-OG1 3.36Å; D296-T321 VanDerWaalsContact O-CB 3.23Å; D296-T321 WeakPolarHBondContact O-CB 3.37Å; D296-T321 WeakPolarHBondContact O-CG2 3.27Å; E297-T321 HydrophobicContact CB-CG2 3.94Å; E297-T321 HydrophobicContact CG-CG2 2.97Å
322R39.9Very low40.4Very low51 Ų5182.8 Ų82.819%0.19239%0.389CS..SBendtrans-102.7-14.3173-165.2175.3168.2-175.6-13.2114.6P281 D880P281-R322 WeakPolarHBondContact CA-O 3.27Å; P281-R322 HydrophobicContact CB-CG 4.38Å; P281-R322 WeakPolarHBondContact CB-O 3.41Å; R322-D880 IonicContact CZ-OD1 2.94Å; R322-D880 IonicContact NH1-OD1 3.4Å; R322-D880 PolarHBondContact NH1-OD1 2.89Å
323W35Very low39.5Very low103 Ų10386 Ų8639%0.3941%0.411SS..EExtended strand (participates in β ladder)trans-150.4138.4177.1-60.983.2000111.7S279 D296S279-W323 VanDerWaalsContact OG-CE3 3.28Å; D296-W323 HydrophobicContact CB-CB 4.28Å; D296-W323 PolarHBondContact N-O 3.48Å
324I44Very low39.1Very low3 Ų386 Ų862%0.01540%0.402CS..EExtended strand (participates in β ladder)trans-117.6138.9171.3-65.4172.8000109.9I275 C280 I282 C293 I294 V295 I326I275-I324 HydrophobicContact CD1-CD1 3.57Å; I275-I324 HydrophobicContact CG2-CD1 3.68Å; C280-I324 PolarHBondContact O-N 3.31Å; I282-I324 HydrophobicContact CD1-CD1 3.38Å; I282-I324 HydrophobicContact CD1-CG1 3.75Å; I282-I324 HydrophobicContact CG1-CD1 3.58Å; I282-I324 HydrophobicContact CG1-CG1 3.81Å; C293-I324 HydrophobicContact CB-CG2 3.85Å; I294-I324 CarbonylContact O-C 3.58Å; I294-I324 VanDerWaalsContact O-CA 3.28Å; I294-I324 WeakPolarHBondContact O-CA 3.46Å; I294-I324 WeakPolarHBondContact O-CG2 3.47Å; V295-I324 HydrophobicContact CG1-CG1 3.96Å; I324-I326 HydrophobicContact CG2-CG1 3.73Å
325W38.7Very low38.9Very low118 Ų11888.1 Ų88.145%0.44740%0.399SS..EExtended strand (participates in β ladder)trans-109120.2159.2-55.170.5000108.3I294 L510I294-W325 WeakPolarHBondContact CA-O 3.44Å; I294-W325 HydrophobicContact CB-CB 4.12Å; I294-W325 WeakPolarHBondContact CB-O 3.3Å; I294-W325 HydrophobicContact CD1-CB 4.38Å; I294-W325 PolarHBondContact N-O 2.83Å; I294-W325 PolarHBondContact O-N 3.08Å; W325-L510 HydrophobicContact CB-CD1 3.81Å; W325-L510 HydrophobicContact CD2-CD1 3.59Å; W325-L510 HydrophobicContact CE3-CD1 3.39Å; W325-L510 HydrophobicContact CG-CD1 3.81Å; W325-L510 HydrophobicContact CZ3-CD1 4.08Å
326I41.8Very low38.4Very low29 Ų2992.5 Ų92.515%0.14942%0.421CS..EExtended strand (participates in β ladder)trans-91.7130.7-179.6-63.5154.1000108.7I275 G276 I324I275-I326 HydrophobicContact CG2-CD1 4.14Å; I275-I326 WeakPolarHBondContact O-CD1 3.31Å; G276-I326 WeakPolarHBondContact O-CD1 3.46Å; I324-I326 HydrophobicContact CG2-CG1 3.73Å
327I38.6Very low38.6Very low48 Ų4894.1 Ų94.125%0.24645%0.449CS..  trans-91.8132.9163.6-54167.2000105.5I294 M308 P329 V508I294-I327 HydrophobicContact CD1-CD1 3.86Å; I294-I327 HydrophobicContact CD1-CG1 3.87Å; I294-I327 HydrophobicContact CG1-CD1 3.91Å; I294-I327 HydrophobicContact CG1-CG1 4.09Å; M308-I327 HydrophobicContact CE-CD1 3.27Å; I327-P329 WeakPolarHBondContact O-CD 3.14Å; I327-P329 VanDerWaalsContact O-N 3.09Å; I327-V508 HydrophobicContact CD1-CG1 3.44Å; I327-V508 VanDerWaalsContact CD1-CG1 3.44Å; I327-V508 HydrophobicContact CD1-CG2 4.37Å; I327-V508 HydrophobicContact CG1-CG1 4.29Å
328R33.6Very low38.9Very low195 Ų19596.3 Ų96.374%0.73646%0.459SS*.  trans-44.7122.2176.1-78.5-176.3-176.8151.22.1109.4E277 E330E277-R328 IonicContact OE1-NE 3.97Å; R328-E330 PolarHBondContact O-N 3.46Å; R328-E330 VanDerWaalsContact O-N 3.1Å
329P34.7Very low39.6Very low45 Ų4596.3 Ų96.329%0.29246%0.457SS..  trans-60.5120.317321.3-28.5000108I327 L331I327-P329 WeakPolarHBondContact O-CD 3.14Å; I327-P329 VanDerWaalsContact O-N 3.09Å; P329-L331 PolarHBondContact O-N 2.89Å
330E32.7Very low40.5Very low165 Ų16599 Ų9977%0.77148%0.476SS*.  trans-56.1140.8164.7-70.4-176.5159.900108.5R328 K332R328-E330 PolarHBondContact O-N 3.46Å; R328-E330 VanDerWaalsContact O-N 3.1Å; E330-K332 PolarHBondContact O-N 3.35Å
331L26.6Very low41.6Very low171 Ų17197.2 Ų97.290%0.89547%0.468SS*.  trans-60.878.5-179-127.3100.1000110.2P329P329-L331 PolarHBondContact O-N 2.89Å
332K32.9Very low42.9Very low168 Ų168100.7 Ų100.773%0.7349%0.491SS*.PPolyproline II helixtrans-72.9130.7163.7-75.3-169.1179.1-178.30107.6E330 Y334E330-K332 PolarHBondContact O-N 3.35Å; K332-Y334 PolarHBondContact O-N 2.9Å; K332-Y334 VanDerWaalsContact O-N 3.15Å
333V29Very low44.5Very low142 Ų142100.8 Ų100.886%0.86150%0.495SS*.PPolyproline II helixtrans-52.7116.3179.9179.40000109.3
334Y35.8Very low46.3Very low131 Ų131101.2 Ų101.251%0.51451%0.505SS..PPolyproline II helixtrans-66.3137.6176.9-73-93.5000110K332 D338K332-Y334 PolarHBondContact O-N 2.9Å; K332-Y334 VanDerWaalsContact O-N 3.15Å; Y334-D338 HydrophobicContact CD1-CB 4.14Å
335R36.1Very low47.7Very low210 Ų210101.5 Ų101.579%0.79251%0.509SS*.PPolyproline II helixtrans-83.5147.3166.3-74.4-175.9-176.3171.11.4108.9G337 D338R335-G337 PolarHBondContact O-N 3.41Å; R335-D338 PolarHBondContact N-OD2 3.24Å; R335-D338 VanDerWaalsContact O-CB 3.3Å; R335-D338 WeakPolarHBondContact O-CB 3.22Å; R335-D338 VanDerWaalsContact O-CG 3.3Å; R335-D338 PolarHBondContact O-N 2.93Å
336E28.3Very low49.6Very low206 Ų20695.9 Ų95.996%0.96349%0.488SS*.THydrogen-bonded Turntrans-58.9128.7175.6-71.4-177.7151.300110.7
337G45.6Very low51.6Low80 Ų8094.9 Ų94.983%0.82548%0.483SS*.THydrogen-bonded Turntrans107.8-8.7-173.900000114.7R335R335-G337 PolarHBondContact O-N 3.41Å
338D53Low53.7Low62 Ų6292.6 Ų92.633%0.33247%0.471SS..PPolyproline II helixtrans-84.5126.3-179.2-71.1-23.3000112.9R290 Y334 R335R290-D338 IonicContact CZ-OD1 3.63Å; R290-D338 IonicContact CZ-OD2 3.27Å; R290-D338 IonicContact NH1-OD1 3.54Å; R290-D338 PolarHBondContact NH1-OD1 3.37Å; R290-D338 VanDerWaalsContact NH2-CG 3.26Å; R290-D338 IonicContact NH2-OD1 2.78Å; R290-D338 PolarHBondContact NH2-OD1 3.04Å; R290-D338 IonicContact NH2-OD2 2.82Å; Y334-D338 HydrophobicContact CD1-CB 4.14Å; R335-D338 PolarHBondContact N-OD2 3.24Å; R335-D338 VanDerWaalsContact O-CB 3.3Å; R335-D338 WeakPolarHBondContact O-CB 3.22Å; R335-D338 VanDerWaalsContact O-CG 3.3Å; R335-D338 PolarHBondContact O-N 2.93Å
339F62.9Low56.1Low47 Ų4784.4 Ų84.421%0.20644%0.44CS..PPolyproline II helixtrans-81.7132.9170.545.6-90.3000111.3Y254 W259 I272 I347Y254-F339 HydrophobicContact CE1-CD1 4.47Å; Y254-F339 HydrophobicContact CE1-CE1 4.42Å; Y254-F339 HydrophobicContact CE2-CB 4.44Å; Y254-F339 HydrophobicContact CE2-CG 4.33Å; W259-F339 AromaticContact CZ2-CD2 3.97Å; W259-F339 HydrophobicContact CZ2-CD2 3.97Å; W259-F339 HydrophobicContact CZ2-CE2 4.44Å; I272-F339 HydrophobicContact CD1-CZ 4.18Å; I272-F339 HydrophobicContact CG2-CE2 4.27Å; F339-I347 HydrophobicContact CD2-CD1 4.21Å; F339-I347 HydrophobicContact CE2-CD1 4.25Å; F339-I347 HydrophobicContact CE2-CG2 4.39Å
340S66.9Low58.6Low57 Ų5782.2 Ų82.240%0.39943%0.426SS..PPolyproline II helixtrans-82.2143173.9-173.80000110.7W259W259-S340 PolarHBondContact NE1-O 3.33Å
341A71.2Confident61Low6 Ų674.5 Ų74.55%0.0539%0.39CS..PPolyproline II helixtrans-60.8137.9166.400000109.5S274 D343 N344 I347S274-A341 WeakPolarHBondContact OG-CB 3.28Å; A341-D343 PolarHBondContact O-N 3.12Å; A341-N344 PolarHBondContact O-N 3.36Å; A341-I347 HydrophobicContact CB-CD1 4.33Å; A341-I347 HydrophobicContact CB-CG1 4.09Å
342P73.9Confident63.7Low77 Ų7769.9 Ų69.950%0.536%0.361SS..THydrogen-bonded Turntrans-68.7-21.6-178.428.1-35.5000113.2N252 W259N252-P342 HydrophobicContact CB-CG 4.22Å; W259-P342 HydrophobicContact CB-CG 4.34Å; W259-P342 HydrophobicContact CD2-CG 4.14Å; W259-P342 HydrophobicContact CE3-CG 4.49Å; W259-P342 HydrophobicContact CG-CG 4.09Å
343D74.5Confident66.3Low53 Ų5362 Ų6228%0.28333%0.327SS..THydrogen-bonded Turntrans-113.113.3-17553.5-5.6000113N252 S274 G276 A341 G345N252-D343 PolarHBondContact ND2-OD2 2.92Å; S274-D343 WeakPolarHBondContact CB-OD1 3.32Å; S274-D343 PolarHBondContact OG-OD1 3.12Å; G276-D343 WeakPolarHBondContact CA-OD2 3.47Å; G276-D343 PolarHBondContact N-OD2 2.9Å; A341-D343 PolarHBondContact O-N 3.12Å; D343-G345 PolarHBondContact O-N 3.47Å; D343-G345 VanDerWaalsContact O-N 3.13Å; D343-G345 PolarHBondContact OD1-N 3.24Å
344N72.3Confident69Low112 Ų11255.5 Ų55.560%0.59929%0.288SS*.SBendtrans53.625.9-171.3-64.1-27.4000113.5A341A341-N344 PolarHBondContact O-N 3.36Å
345G73.7Confident71.2Confident9 Ų950.1 Ų50.19%0.09327%0.267CS..  trans-78.5179.4178.300000114.3I275 D343I275-G345 CarbonylContact O-C 3.5Å; I275-G345 WeakPolarHBondContact O-CA 3.1Å; D343-G345 PolarHBondContact O-N 3.47Å; D343-G345 VanDerWaalsContact O-N 3.13Å; D343-G345 PolarHBondContact OD1-N 3.24Å
346C77.9Confident73.4Confident1 Ų141.7 Ų41.71%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-79.8142.3169.3-64.60000110.1S274 I275 L288 R290 G291 P292S274-C346 WeakPolarHBondContact CA-O 3.44Å; I275-C346 PolarHBondContact N-O 2.92Å; I275-C346 PolarHBondContact O-N 3.19Å; L288-C346 HydrophobicContact CD1-CB 3.92Å; R290-C346 CarbonylContact O-C 3.46Å; R290-C346 VanDerWaalsContact O-CA 3.3Å; R290-C346 WeakPolarHBondContact O-CA 3.38Å; R290-C346 WeakPolarHBondContact O-CB 3.03Å; G291-C346 VanDerWaalsContact C-SG 3.59Å; P292-C346 PolarHBondContact O-SG 3.27Å
347I83.5Confident75.8Confident8 Ų832 Ų324%0.04120%0.195CC..EExtended strand (participates in β ladder)trans-101.2130.9177.8-57.7177.9000108.5W259 I272 I273 L289 R290 F339 A341W259-I347 HydrophobicContact CH2-CG1 4.44Å; W259-I347 HydrophobicContact CZ2-CD1 4.32Å; I272-I347 HydrophobicContact CG2-CG2 3.44Å; I272-I347 VanDerWaalsContact CG2-CG2 3.44Å; I273-I347 WeakPolarHBondContact O-CA 3.09Å; L289-I347 WeakPolarHBondContact CA-O 3.36Å; L289-I347 HydrophobicContact CB-CG2 4.46Å; L289-I347 WeakPolarHBondContact CB-O 3.13Å; L289-I347 HydrophobicContact CD1-CG2 4.35Å; L289-I347 PolarHBondContact N-O 3.03Å; R290-I347 HydrophobicContact CB-CB 4.21Å; R290-I347 PolarHBondContact N-O 3.43Å; R290-I347 PolarHBondContact O-N 2.9Å; F339-I347 HydrophobicContact CD2-CD1 4.21Å; F339-I347 HydrophobicContact CE2-CD1 4.25Å; F339-I347 HydrophobicContact CE2-CG2 4.39Å; A341-I347 HydrophobicContact CB-CD1 4.33Å; A341-I347 HydrophobicContact CB-CG1 4.09Å
348G82.7Confident77.1Confident0 Ų029.3 Ų29.30%016%0.164CC..EExtended strand (participates in β ladder)trans-137.8156.2177.500000113.5I272 I273 L287I272-G348 CarbonylContact C-O 3.51Å; I272-G348 WeakPolarHBondContact CA-O 3.25Å; I273-G348 PolarHBondContact N-O 3.38Å; I273-G348 PolarHBondContact O-N 2.9Å; L287-G348 CarbonylContact O-C 3.54Å; L287-G348 WeakPolarHBondContact O-CA 3.15Å
349Y84Confident78Confident22 Ų2227.4 Ų27.49%0.08615%0.153CC..EExtended strand (participates in β ladder)trans-102.7127178.2179-83.6000110.2P145 Y153 S156 G270 I272 I286 L287 L351P145-Y349 HydrophobicContact CG-CE1 4.26Å; Y153-Y349 AromaticContact CD1-CD1 3.79Å; Y153-Y349 HydrophobicContact CD1-CD1 3.79Å; Y153-Y349 HydrophobicContact CD1-CD2 4.38Å; Y153-Y349 AromaticContact CD1-CE1 3.73Å; Y153-Y349 HydrophobicContact CD1-CE1 3.73Å; Y153-Y349 HydrophobicContact CD1-CE2 4.31Å; Y153-Y349 HydrophobicContact CD1-CG 4.12Å; Y153-Y349 AromaticContact CD1-CZ 3.98Å; Y153-Y349 HydrophobicContact CE1-CD1 4.11Å; Y153-Y349 AromaticContact CE1-CE1 3.77Å; Y153-Y349 HydrophobicContact CE1-CE1 3.77Å; S156-Y349 WeakPolarHBondContact OG-CD2 3.45Å; G270-Y349 VanDerWaalsContact CA-CZ 3.48Å; G270-Y349 WeakPolarHBondContact CA-OH 2.97Å; I272-Y349 HydrophobicContact CG1-CD2 4.24Å; I286-Y349 CarbonylContact C-O 3.54Å; I286-Y349 VanDerWaalsContact CA-O 3.27Å; I286-Y349 WeakPolarHBondContact CA-O 3.39Å; I286-Y349 WeakPolarHBondContact CG2-O 2.89Å; L287-Y349 PolarHBondContact N-O 3.41Å; L287-Y349 PolarHBondContact O-N 2.89Å; Y349-L351 HydrophobicContact CD1-CD2 3.95Å; Y349-L351 HydrophobicContact CD1-CG 4.28Å; Y349-L351 HydrophobicContact CE1-CD2 4.06Å; Y349-L351 PolarHBondContact O-N 2.91Å
350V87.1Confident78.6Confident0 Ų025.1 Ų25.10%014%0.143CC..EExtended strand (participates in β ladder)trans-73.8117-179.61800000110.1A269 G270 D271 I273 C284 T353A269-V350 WeakPolarHBondContact CA-O 3.14Å; G270-V350 PolarHBondContact N-O 3.03Å; D271-V350 HydrophobicContact CB-CB 4.37Å; D271-V350 HydrophobicContact CB-CG2 4.01Å; D271-V350 WeakPolarHBondContact O-CG2 3.1Å; D271-V350 PolarHBondContact O-N 3.46Å; I273-V350 HydrophobicContact CD1-CG2 4.07Å; I273-V350 HydrophobicContact CG1-CG2 4.15Å; I273-V350 HydrophobicContact CG2-CG2 4.16Å; C284-V350 HydrophobicContact CB-CG1 4.14Å; V350-T353 HydrophobicContact CG1-CG2 3.58Å
351L83Confident79Confident3 Ų326.9 Ų26.92%0.01614%0.141CC..EExtended strand (participates in β ladder)trans-91.1-52.2-179.7-73.4170000112.2F144 P145 Y153 A269 D285 L287 L316 I318 Y349F144-L351 WeakPolarHBondContact CD1-O 3.44Å; P145-L351 WeakPolarHBondContact O-CD2 3.39Å; Y153-L351 HydrophobicContact CE1-CD2 3.87Å; A269-L351 WeakPolarHBondContact CB-O 3.27Å; D285-L351 PolarHBondContact O-N 3.33Å; L287-L351 HydrophobicContact CB-CD1 3.71Å; L287-L351 HydrophobicContact CB-CD2 4.41Å; L287-L351 HydrophobicContact CB-CG 3.98Å; L316-L351 HydrophobicContact CD2-CD1 4.14Å; L316-L351 HydrophobicContact CD2-CD2 4.43Å; I318-L351 HydrophobicContact CB-CD1 4.15Å; I318-L351 HydrophobicContact CD1-CD1 3.89Å; I318-L351 HydrophobicContact CG1-CD1 3.63Å; I318-L351 HydrophobicContact CG2-CD1 3.67Å; Y349-L351 HydrophobicContact CD1-CD2 3.95Å; Y349-L351 HydrophobicContact CD1-CG 4.28Å; Y349-L351 HydrophobicContact CE1-CD2 4.06Å; Y349-L351 PolarHBondContact O-N 2.91Å
352R84.1Confident78.8Confident73 Ų7328 Ų2828%0.27515%0.146SC..EExtended strand (participates in β ladder)trans-132.8147.1-176.6-58.3-178.2177.5169.3-2.9110.6F144 D146 C284 D285 S356 T357F144-R352 HydrophobicContact CB-CG 3.94Å; F144-R352 HydrophobicContact CD1-CB 4.28Å; F144-R352 HydrophobicContact CD1-CG 4.06Å; F144-R352 HydrophobicContact CD2-CG 4.23Å; F144-R352 HydrophobicContact CE1-CB 4.46Å; F144-R352 HydrophobicContact CG-CB 4.45Å; F144-R352 HydrophobicContact CG-CG 3.8Å; D146-R352 IonicContact OD2-CZ 2.71Å; D146-R352 IonicContact OD2-NE 3.99Å; D146-R352 IonicContact OD2-NH2 3.56Å; D146-R352 PolarHBondContact OD2-NH2 3.24Å; C284-R352 VanDerWaalsContact CB-O 3.3Å; C284-R352 WeakPolarHBondContact CB-O 3.48Å; D285-R352 HydrophobicContact CB-CB 4.11Å; D285-R352 PolarHBondContact N-O 3.35Å; D285-R352 PolarHBondContact O-N 3.44Å; R352-S356 WeakPolarHBondContact CD-O 3.39Å; R352-T357 HydrophobicContact CB-CG2 4.44Å; R352-T357 VanDerWaalsContact O-CG2 3.29Å; R352-T357 WeakPolarHBondContact O-CG2 3.41Å
353T88Confident78.8Confident4 Ų425 Ų253%0.02513%0.125CC..  trans-129.7157.9-177.654.70000112N175 C284 V350 S356N175-T353 HydrophobicContact CB-CG2 4.07Å; C284-T353 HydrophobicContact CB-CG2 4.39Å; V350-T353 HydrophobicContact CG1-CG2 3.58Å; T353-S356 WeakPolarHBondContact O-CB 3.44Å; T353-S356 PolarHBondContact O-N 2.97Å
354G83.8Confident78.8Confident4 Ų423.4 Ų23.44%0.04112%0.116CC..G310 helixtrans60.7-136.6175.200000113.5N175 S356 T357N175-G354 PolarHBondContact OD1-N 3.43Å; G354-S356 PolarHBondContact O-N 3.45Å; G354-T357 WeakPolarHBondContact O-CB 3.46Å; G354-T357 WeakPolarHBondContact O-CG2 3.27Å; G354-T357 PolarHBondContact O-N 3.41Å; G354-T357 PolarHBondContact O-OG1 2.99Å
355F82Confident78.5Confident18 Ų1820.1 Ų20.18%0.07910%0.099CC..G310 helixtrans-71.3-8.4179.4-72.6-86000114.5K126 G360 R361 L363 R364 L367K126-F355 HydrophobicContact CB-CB 3.99Å; K126-F355 HydrophobicContact CB-CD1 4Å; K126-F355 HydrophobicContact CB-CD2 3.56Å; K126-F355 HydrophobicContact CB-CE1 4.37Å; K126-F355 HydrophobicContact CB-CE2 3.98Å; K126-F355 HydrophobicContact CB-CG 3.56Å; K126-F355 HydrophobicContact CB-CZ 4.36Å; K126-F355 HydrophobicContact CD-CE2 4.31Å; K126-F355 HydrophobicContact CG-CD1 4.4Å; K126-F355 HydrophobicContact CG-CD2 4.02Å; K126-F355 HydrophobicContact CG-CE1 4.27Å; K126-F355 HydrophobicContact CG-CE2 3.88Å; K126-F355 HydrophobicContact CG-CG 4.27Å; K126-F355 HydrophobicContact CG-CZ 4.01Å; K126-F355 WeakPolarHBondContact O-CB 3.32Å; F355-G360 CarbonylContact O-C 3.53Å; F355-G360 VanDerWaalsContact O-C 3.27Å; F355-R361 PolarHBondContact O-N 3.28Å; F355-L363 HydrophobicContact CE1-CD2 3.95Å; F355-L363 HydrophobicContact CE1-CG 4.43Å; F355-R364 HydrophobicContact CD1-CB 4.2Å; F355-L367 HydrophobicContact CE1-CD1 4.41Å
356S82.5Confident78.1Confident33 Ų3320.9 Ų20.923%0.23110%0.101CC..G310 helixtrans-85.5-17174.8-57.70000112.9F144 R352 T353 G354F144-S356 WeakPolarHBondContact CE2-OG 3.49Å; F144-S356 VanDerWaalsContact CZ-CB 3.43Å; R352-S356 WeakPolarHBondContact CD-O 3.39Å; T353-S356 WeakPolarHBondContact O-CB 3.44Å; T353-S356 PolarHBondContact O-N 2.97Å; G354-S356 PolarHBondContact O-N 3.45Å
357T80.2Confident77.8Confident3 Ų323.3 Ų23.32%0.01811%0.114CC..SBendtrans-58153.4168.361.60000109.7C284 D285 R352 G354 Q359 G360 R361C284-T357 HydrophobicContact CB-CG2 4.32Å; D285-T357 WeakPolarHBondContact OD2-CA 3.08Å; R352-T357 HydrophobicContact CB-CG2 4.44Å; R352-T357 VanDerWaalsContact O-CG2 3.29Å; R352-T357 WeakPolarHBondContact O-CG2 3.41Å; G354-T357 WeakPolarHBondContact O-CB 3.46Å; G354-T357 WeakPolarHBondContact O-CG2 3.27Å; G354-T357 PolarHBondContact O-N 3.41Å; G354-T357 PolarHBondContact O-OG1 2.99Å; T357-Q359 VanDerWaalsContact C-N 3.32Å; T357-Q359 PolarHBondContact O-N 3.19Å; T357-G360 CarbonylContact O-C 3.59Å; T357-G360 PolarHBondContact O-N 3.48Å; T357-G360 VanDerWaalsContact O-N 3.16Å; T357-G360 WeakPolarHBondContact OG1-CA 3.3Å; T357-G360 PolarHBondContact OG1-N 2.86Å; T357-R361 WeakPolarHBondContact O-CB 3.25Å; T357-R361 PolarHBondContact O-N 3.01Å
358S72.2Confident77.2Confident23 Ų2326.2 Ų26.216%0.16113%0.125CC..Hα-helixtrans-46-48.6169.762.10000114.5D285 L300 I320 R361 L362D285-S358 PolarHBondContact OD1-N 3.16Å; D285-S358 PolarHBondContact OD1-OG 3.46Å; D285-S358 PolarHBondContact OD2-N 3.34Å; L300-S358 WeakPolarHBondContact CD1-OG 3.45Å; I320-S358 WeakPolarHBondContact CG2-OG 3.39Å; S358-R361 VanDerWaalsContact O-CB 3.31Å; S358-R361 WeakPolarHBondContact O-CB 3.31Å; S358-R361 PolarHBondContact O-N 3.26Å; S358-L362 PolarHBondContact O-N 3.36Å
359Q71.5Confident75.9Confident22 Ų2226.3 Ų26.310%0.10313%0.126CC..Hα-helixtrans-68.4-41.9178-178.4-178.7-4.500110.7L299 L300 T357 R361 L362 L363L299-Q359 HydrophobicContact CD2-CB 4.4Å; L299-Q359 HydrophobicContact CD2-CG 4.04Å; L300-Q359 HydrophobicContact CD2-CB 4.45Å; T357-Q359 VanDerWaalsContact C-N 3.32Å; T357-Q359 PolarHBondContact O-N 3.19Å; Q359-R361 VanDerWaalsContact C-N 3.3Å; Q359-R361 PolarHBondContact O-N 2.75Å; Q359-L362 WeakPolarHBondContact O-CB 3.49Å; Q359-L362 PolarHBondContact O-N 2.88Å; Q359-L363 WeakPolarHBondContact O-CB 3.39Å; Q359-L363 PolarHBondContact O-N 3.44Å
360G76.7Confident74.5Confident0 Ų026.6 Ų26.60%013%0.13CC..Hα-helixtrans-60.4-39.9172.900000112.4F355 T357 L363 R364F355-G360 CarbonylContact O-C 3.53Å; F355-G360 VanDerWaalsContact O-C 3.27Å; T357-G360 CarbonylContact O-C 3.59Å; T357-G360 PolarHBondContact O-N 3.48Å; T357-G360 VanDerWaalsContact O-N 3.16Å; T357-G360 WeakPolarHBondContact OG1-CA 3.3Å; T357-G360 PolarHBondContact OG1-N 2.86Å; G360-L363 PolarHBondContact O-N 3.24Å; G360-R364 WeakPolarHBondContact O-CB 3.43Å; G360-R364 PolarHBondContact O-N 2.63Å
361R74.2Confident72.9Confident94 Ų9433.2 Ų33.236%0.35516%0.159SC..Hα-helixtrans-62.2-44.1175.1-124.3174.379.5129.210.9110.9E5 F355 T357 S358 Q359 T365E5-R361 IonicContact OE2-CZ 2.71Å; E5-R361 IonicContact OE2-NH1 2.79Å; E5-R361 PolarHBondContact OE2-NH1 3.06Å; E5-R361 IonicContact OE2-NH2 3.39Å; E5-R361 PolarHBondContact OE2-NH2 2.8Å; E5-R361 VanDerWaalsContact OE2-NH2 3.13Å; F355-R361 PolarHBondContact O-N 3.28Å; T357-R361 WeakPolarHBondContact O-CB 3.25Å; T357-R361 PolarHBondContact O-N 3.01Å; S358-R361 VanDerWaalsContact O-CB 3.31Å; S358-R361 WeakPolarHBondContact O-CB 3.31Å; S358-R361 PolarHBondContact O-N 3.26Å; Q359-R361 VanDerWaalsContact C-N 3.3Å; Q359-R361 PolarHBondContact O-N 2.75Å; R361-T365 WeakPolarHBondContact O-CB 3.49Å; R361-T365 PolarHBondContact O-N 3.25Å; R361-T365 PolarHBondContact O-OG1 3.02Å
362L67.7Low71.4Confident29 Ų2939.6 Ų39.615%0.15218%0.183CC..Hα-helixtrans-60.4-53.5174.5-17471.6000110.4L299 S358 Q359 R364 T365 I366 V791 A881L299-L362 HydrophobicContact CD2-CD2 3.59Å; L299-L362 HydrophobicContact CG-CD2 4.37Å; S358-L362 PolarHBondContact O-N 3.36Å; Q359-L362 WeakPolarHBondContact O-CB 3.49Å; Q359-L362 PolarHBondContact O-N 2.88Å; L362-R364 VanDerWaalsContact C-N 3.32Å; L362-R364 PolarHBondContact O-N 2.7Å; L362-T365 WeakPolarHBondContact O-CA 3.44Å; L362-T365 WeakPolarHBondContact O-CB 3.3Å; L362-T365 PolarHBondContact O-N 3.1Å; L362-I366 HydrophobicContact CG-CD1 4.41Å; L362-I366 WeakPolarHBondContact O-CG1 3.05Å; L362-I366 PolarHBondContact O-N 3.01Å; L362-V791 HydrophobicContact CD1-CB 4.21Å; L362-V791 HydrophobicContact CD1-CG1 3.56Å; L362-V791 HydrophobicContact CD1-CG2 4.31Å; L362-A881 HydrophobicContact CD2-CB 4.46Å
363L72.5Confident69.9Low13 Ų1338 Ų387%0.06818%0.179CC..Hα-helixtrans-58.9-42.2179.2-176.967.3000112.2M179 I241 M244 F355 Q359 G360 T365 I366 L367M179-L363 HydrophobicContact CE-CD1 4.1Å; M179-L363 HydrophobicContact CE-CD2 3.78Å; M179-L363 HydrophobicContact CE-CG 4.49Å; M179-L363 HydrophobicContact SD-CD1 4.11Å; M179-L363 HydrophobicContact SD-CD2 4.14Å; M179-L363 HydrophobicContact SD-CG 4.43Å; I241-L363 HydrophobicContact CG2-CD1 4.23Å; M244-L363 HydrophobicContact CE-CD1 4.25Å; F355-L363 HydrophobicContact CE1-CD2 3.95Å; F355-L363 HydrophobicContact CE1-CG 4.43Å; Q359-L363 WeakPolarHBondContact O-CB 3.39Å; Q359-L363 PolarHBondContact O-N 3.44Å; G360-L363 PolarHBondContact O-N 3.24Å; L363-T365 VanDerWaalsContact C-N 3.33Å; L363-T365 PolarHBondContact O-N 2.86Å; L363-I366 WeakPolarHBondContact O-CB 2.97Å; L363-I366 PolarHBondContact O-N 3.28Å; L363-L367 HydrophobicContact CG-CD1 4.16Å; L363-L367 WeakPolarHBondContact O-CG 2.99Å; L363-L367 PolarHBondContact O-N 3.25Å
364R74.9Confident68.2Low21 Ų2141.9 Ų41.98%0.07920%0.203CC..Hα-helixtrans-60-43.4174.2-176-175.862.71694.1111.3L6 Q125 S127 F355 G360 L362 I366 L367 Y368L6-R364 VanDerWaalsContact CD1-NH2 3.31Å; Q125-R364 WeakPolarHBondContact O-CD 3.5Å; Q125-R364 VanDerWaalsContact O-CG 3.31Å; Q125-R364 WeakPolarHBondContact O-CG 3.37Å; S127-R364 WeakPolarHBondContact OG-CD 3.36Å; S127-R364 PolarHBondContact OG-NH1 3.08Å; F355-R364 HydrophobicContact CD1-CB 4.2Å; G360-R364 WeakPolarHBondContact O-CB 3.43Å; G360-R364 PolarHBondContact O-N 2.63Å; L362-R364 VanDerWaalsContact C-N 3.32Å; L362-R364 PolarHBondContact O-N 2.7Å; R364-I366 VanDerWaalsContact C-N 3.29Å; R364-I366 PolarHBondContact O-N 3.31Å; R364-L367 PolarHBondContact O-N 3.32Å; R364-Y368 HydrophobicContact CG-CD2 3.87Å; R364-Y368 HydrophobicContact CG-CE2 4.47Å; R364-Y368 WeakPolarHBondContact O-CD2 3.3Å; R364-Y368 PolarHBondContact O-N 3.37Å
365T67Low66.4Low42 Ų4243.7 Ų43.726%0.25822%0.218SC..Hα-helixtrans-63.6-36.2176.1-53.30000111.4R361 L362 L363 G369R361-T365 WeakPolarHBondContact O-CB 3.49Å; R361-T365 PolarHBondContact O-N 3.25Å; R361-T365 PolarHBondContact O-OG1 3.02Å; L362-T365 WeakPolarHBondContact O-CA 3.44Å; L362-T365 WeakPolarHBondContact O-CB 3.3Å; L362-T365 PolarHBondContact O-N 3.1Å; L363-T365 VanDerWaalsContact C-N 3.33Å; L363-T365 PolarHBondContact O-N 2.86Å; T365-G369 WeakPolarHBondContact O-CA 3.45Å; T365-G369 PolarHBondContact O-N 3.36Å
366I65.7Low65.1Low26 Ų2648.5 Ų48.513%0.13324%0.244CC..Hα-helixtrans-65.4-44.1174.4-63.3171.3000111.1L362 L363 R364 A884L362-I366 HydrophobicContact CG-CD1 4.41Å; L362-I366 WeakPolarHBondContact O-CG1 3.05Å; L362-I366 PolarHBondContact O-N 3.01Å; L363-I366 WeakPolarHBondContact O-CB 2.97Å; L363-I366 PolarHBondContact O-N 3.28Å; R364-I366 VanDerWaalsContact C-N 3.29Å; R364-I366 PolarHBondContact O-N 3.31Å; I366-A884 HydrophobicContact CD1-CB 3.86Å; I366-A884 HydrophobicContact CG1-CB 3.6Å
367L71.5Confident64.2Low52 Ų5249.4 Ų49.427%0.27225%0.247SC..Hα-helixtrans-73.8-40.4-176.2-71.2171000113.5M179 I241 F355 L363 R364M179-L367 HydrophobicContact CG-CD1 4.1Å; M179-L367 HydrophobicContact SD-CD1 4.02Å; M179-L367 HydrophobicContact SD-CD2 4.28Å; I241-L367 HydrophobicContact CG2-CD2 4.04Å; F355-L367 HydrophobicContact CE1-CD1 4.41Å; L363-L367 HydrophobicContact CG-CD1 4.16Å; L363-L367 WeakPolarHBondContact O-CG 2.99Å; L363-L367 PolarHBondContact O-N 3.25Å; R364-L367 PolarHBondContact O-N 3.32Å
368Y70.8Confident63.9Low68 Ų6859.5 Ų59.527%0.26728%0.284SS..Hα-helixtrans-123.1-16.8-168.4-56.3-73.3000114.7G102 Q125 K126 R364 V370G102-Y368 WeakPolarHBondContact CA-O 3.43Å; G102-Y368 PolarHBondContact N-O 3.29Å; Q125-Y368 HydrophobicContact CB-CD1 4.37Å; Q125-Y368 HydrophobicContact CB-CD2 3.85Å; Q125-Y368 HydrophobicContact CB-CE2 4.27Å; Q125-Y368 HydrophobicContact CB-CG 3.9Å; Q125-Y368 HydrophobicContact CG-CD1 4.02Å; Q125-Y368 HydrophobicContact CG-CD2 4.3Å; Q125-Y368 HydrophobicContact CG-CG 3.83Å; K126-Y368 HydrophobicContact CG-CE2 4.08Å; R364-Y368 HydrophobicContact CG-CD2 3.87Å; R364-Y368 HydrophobicContact CG-CE2 4.47Å; R364-Y368 WeakPolarHBondContact O-CD2 3.3Å; R364-Y368 PolarHBondContact O-N 3.37Å; Y368-V370 VanDerWaalsContact C-N 3.29Å; Y368-V370 PolarHBondContact O-N 3.27Å; Y368-V370 VanDerWaalsContact O-N 3.17Å
369G55.1Low64.1Low3 Ų360.9 Ų60.93%0.03129%0.288CS..SBendtrans-73.6-4.4-166.100000116.6N100 T365N100-G369 CarbonylContact C-O 3.53Å; N100-G369 CarbonylContact O-C 3.46Å; T365-G369 WeakPolarHBondContact O-CA 3.45Å; T365-G369 PolarHBondContact O-N 3.36Å
370V54.9Low64.4Low28 Ų2860.2 Ų60.217%0.1729%0.286CS..SBendtrans-142.4133.3170.9-178.50000110.3Y368 R372 K795Y368-V370 VanDerWaalsContact C-N 3.29Å; Y368-V370 PolarHBondContact O-N 3.27Å; Y368-V370 VanDerWaalsContact O-N 3.17Å; V370-R372 PolarHBondContact O-N 3.19Å; V370-R372 VanDerWaalsContact O-N 3.14Å; V370-K795 HydrophobicContact CG2-CD 3.89Å; V370-K795 HydrophobicContact CG2-CG 3.61Å
371K52.5Low64.7Low138 Ų13866.3 Ų66.360%0.631%0.313SS*.  trans-56.1120.3167.2-71-174.9-178.3179.30108.3G102 I373G102-K371 WeakPolarHBondContact O-CE 3.46Å; K371-I373 PolarHBondContact O-N 2.98Å
372R52.4Low65.3Low137 Ų13767.1 Ų67.152%0.51732%0.319SS..  trans-52.3118.2168.9-64.2-172.2-155.4172.69.6107.1V370 T374V370-R372 PolarHBondContact O-N 3.19Å; V370-R372 VanDerWaalsContact O-N 3.14Å; R372-T374 PolarHBondContact O-N 3.16Å
373I51.2Low66.1Low41 Ų4166 Ų6621%0.2131%0.312CS..  trans-66108.7179.6-61.4160.5000106K371 F453 R454 F457K371-I373 PolarHBondContact O-N 2.98Å; I373-F453 VanDerWaalsContact O-CB 3.27Å; I373-F453 WeakPolarHBondContact O-CB 3.47Å; I373-F453 WeakPolarHBondContact O-CD2 3.28Å; I373-F453 WeakPolarHBondContact O-CG 3.48Å; I373-R454 HydrophobicContact CD1-CG 3.75Å; I373-F457 HydrophobicContact CB-CE2 4.41Å; I373-F457 HydrophobicContact CD1-CD2 4.32Å; I373-F457 HydrophobicContact CD1-CE2 3.95Å; I373-F457 HydrophobicContact CD1-CZ 4.31Å; I373-F457 HydrophobicContact CG2-CE2 3.55Å; I373-F457 HydrophobicContact CG2-CZ 3.71Å
374T52.3Low66.8Low84 Ų8466.9 Ų66.952%0.51532%0.317SS..  trans-85.1155172.858.30000108.5R372 N376R372-T374 PolarHBondContact O-N 3.16Å; T374-N376 PolarHBondContact O-N 2.98Å
375A47.3Very low67.5Low43 Ų4369.8 Ų69.836%0.35533%0.334SS..SBendtrans-62.7-2.9175.900000114N377 L431A375-N377 VanDerWaalsContact C-N 3.27Å; A375-N377 PolarHBondContact O-N 3.36Å; A375-L431 HydrophobicContact CB-CD1 3.98Å; A375-L431 HydrophobicContact CB-CD2 3.91Å
376N53.5Low68.6Low119 Ų11970 Ų7064%0.63633%0.331SS*.  trans-82.970.7-174.4-152.416.8000111.1T374T374-N376 PolarHBondContact O-N 2.98Å
377N64.1Low69.7Low52 Ų5269 Ų6928%0.27833%0.326SS..  trans-77.4141.1175.3-67.2-20.7000109.7A375 E379 T380 F381A375-N377 VanDerWaalsContact C-N 3.27Å; A375-N377 PolarHBondContact O-N 3.36Å; N377-E379 HydrophobicContact CB-CB 4.31Å; N377-E379 PolarHBondContact O-N 3.42Å; N377-T380 WeakPolarHBondContact O-CB 3.03Å; N377-T380 PolarHBondContact O-N 3.03Å; N377-F381 PolarHBondContact O-N 3.44Å
378R73.7Confident70.7Confident215 Ų21569.5 Ų69.581%0.81133%0.329SS*.Hα-helixtrans-49.8-32.8167.6-73.9-179.2178.4159.6-2111.8F381 F382R378-F381 WeakPolarHBondContact O-CB 3.19Å; R378-F381 PolarHBondContact O-N 2.94Å; R378-F382 HydrophobicContact CB-CE2 4.37Å; R378-F382 WeakPolarHBondContact O-CD2 3.4Å; R378-F382 PolarHBondContact O-N 3.22Å
379E76.3Confident71.7Confident51 Ų5170.3 Ų70.324%0.23834%0.341CS..Hα-helixtrans-63.7-44.7175.9-62.6-178-175.500113.4N377 F381 F382 F383N377-E379 HydrophobicContact CB-CB 4.31Å; N377-E379 PolarHBondContact O-N 3.42Å; E379-F381 PolarHBondContact O-N 3.32Å; E379-F382 PolarHBondContact O-N 3.15Å; E379-F383 WeakPolarHBondContact O-CB 3.42Å; E379-F383 PolarHBondContact O-N 3.04Å
380T78.7Confident73.3Confident9 Ų973.2 Ų73.26%0.05535%0.353CS..Hα-helixtrans-60.5-39.5176.5-49.40000110.2N377 F383 I384 F915N377-T380 WeakPolarHBondContact O-CB 3.03Å; N377-T380 PolarHBondContact O-N 3.03Å; T380-F383 PolarHBondContact O-N 3.17Å; T380-I384 HydrophobicContact CG2-CD1 4.05Å; T380-I384 VanDerWaalsContact O-CG1 3.27Å; T380-I384 WeakPolarHBondContact O-CG1 3.36Å; T380-I384 PolarHBondContact O-N 3.36Å; T380-F915 HydrophobicContact CG2-CE1 3.76Å; T380-F915 HydrophobicContact CG2-CZ 4.24Å
381F82.9Confident75Confident128 Ų12872 Ų7256%0.56135%0.345SS*.Hα-helixtrans-63.1-45.1174.9-178.2-96.8000112.5N377 R378 E379 F383 I384 L385N377-F381 PolarHBondContact O-N 3.44Å; R378-F381 WeakPolarHBondContact O-CB 3.19Å; R378-F381 PolarHBondContact O-N 2.94Å; E379-F381 PolarHBondContact O-N 3.32Å; F381-F383 VanDerWaalsContact C-N 3.31Å; F381-F383 PolarHBondContact O-N 3.48Å; F381-I384 PolarHBondContact O-N 3.39Å; F381-L385 WeakPolarHBondContact O-CB 3.45Å; F381-L385 PolarHBondContact O-N 3.04Å
382F86.9Confident76.9Confident110 Ų11069.4 Ų69.448%0.48234%0.337SS..Hα-helixtrans-63.8-36.2175.1-71.5-56.2000112.9R378 E379 L385 F386 F977R378-F382 HydrophobicContact CB-CE2 4.37Å; R378-F382 WeakPolarHBondContact O-CD2 3.4Å; R378-F382 PolarHBondContact O-N 3.22Å; E379-F382 PolarHBondContact O-N 3.15Å; F382-L385 PolarHBondContact O-N 3.49Å; F382-F386 PolarHBondContact O-N 3.13Å; F382-F977 HydrophobicContact CB-CD2 4.34Å
383F85.1Confident78.8Confident5 Ų566.5 Ų66.52%0.02234%0.337CS..Hα-helixtrans-67-43.8175.9-175.7-109.6000112E379 T380 F381 L385 F386 L387 F915 A919 I976E379-F383 WeakPolarHBondContact O-CB 3.42Å; E379-F383 PolarHBondContact O-N 3.04Å; T380-F383 PolarHBondContact O-N 3.17Å; F381-F383 VanDerWaalsContact C-N 3.31Å; F381-F383 PolarHBondContact O-N 3.48Å; F383-L385 VanDerWaalsContact C-N 3.33Å; F383-L385 PolarHBondContact O-N 3.36Å; F383-F386 WeakPolarHBondContact O-CB 3.48Å; F383-F386 PolarHBondContact O-N 3.25Å; F383-L387 HydrophobicContact CD1-CD1 4.19Å; F383-L387 HydrophobicContact CE1-CD1 3.81Å; F383-L387 HydrophobicContact CZ-CD1 4.24Å; F383-L387 WeakPolarHBondContact O-CG 3.49Å; F383-L387 PolarHBondContact O-N 3.26Å; F383-L387 VanDerWaalsContact O-N 3.1Å; F383-F915 HydrophobicContact CE1-CB 4.41Å; F383-A919 HydrophobicContact CE1-CB 3.73Å; F383-A919 HydrophobicContact CZ-CB 3.46Å; F383-A919 VanDerWaalsContact CZ-CB 3.46Å; F383-I976 HydrophobicContact CB-CG2 4.26Å; F383-I976 HydrophobicContact CD1-CG2 4.19Å; F383-I976 HydrophobicContact CD2-CG2 3.94Å; F383-I976 HydrophobicContact CE2-CG2 4.3Å; F383-I976 HydrophobicContact CG-CG2 3.87Å
384I86.5Confident80.6Confident33 Ų3365.3 Ų65.317%0.16933%0.334CS..Hα-helixtrans-61.4-42.9172.9-69.1165.9000110.6T380 F381 F386 L387 L388 I423T380-I384 HydrophobicContact CG2-CD1 4.05Å; T380-I384 VanDerWaalsContact O-CG1 3.27Å; T380-I384 WeakPolarHBondContact O-CG1 3.36Å; T380-I384 PolarHBondContact O-N 3.36Å; F381-I384 PolarHBondContact O-N 3.39Å; I384-F386 VanDerWaalsContact C-N 3.29Å; I384-F386 PolarHBondContact O-N 3.06Å; I384-L387 PolarHBondContact O-N 2.94Å; I384-L388 WeakPolarHBondContact O-CB 3.24Å; I384-L388 PolarHBondContact O-N 3.07Å; I384-I423 HydrophobicContact CG2-CD1 3.74Å; I384-I423 HydrophobicContact CG2-CG1 3.67Å
385L88.9Confident82.4Confident81 Ų8161.7 Ų61.742%0.42431%0.312SS..Hα-helixtrans-60.6-38.8176.9-177.365000111.9F381 F382 F383 L388 V389F381-L385 WeakPolarHBondContact O-CB 3.45Å; F381-L385 PolarHBondContact O-N 3.04Å; F382-L385 PolarHBondContact O-N 3.49Å; F383-L385 VanDerWaalsContact C-N 3.33Å; F383-L385 PolarHBondContact O-N 3.36Å; L385-L388 HydrophobicContact CD1-CD2 4.38Å; L385-L388 WeakPolarHBondContact O-CB 3.21Å; L385-L388 PolarHBondContact O-N 2.89Å; L385-V389 PolarHBondContact O-N 3.4Å
386F89.6Confident84.5Confident48 Ų4863.8 Ų63.821%0.21132%0.317CS..Hα-helixtrans-62.1-44.6174.2165.8-101.1000112.1F382 F383 I384 L388 V389 F390 L982 V985F382-F386 PolarHBondContact O-N 3.13Å; F383-F386 WeakPolarHBondContact O-CB 3.48Å; F383-F386 PolarHBondContact O-N 3.25Å; I384-F386 VanDerWaalsContact C-N 3.29Å; I384-F386 PolarHBondContact O-N 3.06Å; F386-L388 VanDerWaalsContact C-N 3.34Å; F386-V389 WeakPolarHBondContact O-CB 3.42Å; F386-V389 PolarHBondContact O-N 2.85Å; F386-F390 HydrophobicContact CD2-CE2 4.36Å; F386-F390 HydrophobicContact CE1-CE2 4Å; F386-F390 AromaticContact CE2-CE2 3.77Å; F386-F390 HydrophobicContact CE2-CE2 3.77Å; F386-F390 HydrophobicContact CE2-CZ 4.39Å; F386-F390 AromaticContact CZ-CE2 3.59Å; F386-F390 HydrophobicContact CZ-CE2 3.59Å; F386-F390 HydrophobicContact CZ-CZ 4.2Å; F386-F390 WeakPolarHBondContact O-CD2 3.35Å; F386-L982 HydrophobicContact CD1-CD2 3.68Å; F386-L982 HydrophobicContact CD2-CD2 4.07Å; F386-L982 HydrophobicContact CE1-CD2 3.69Å; F386-L982 HydrophobicContact CE2-CD2 4.07Å; F386-L982 HydrophobicContact CG-CD2 3.85Å; F386-L982 HydrophobicContact CZ-CD2 3.86Å; F386-V985 HydrophobicContact CE1-CG1 4.48Å
387L89.7Confident86.1Confident3 Ų363.6 Ų63.62%0.01631%0.308CS..Hα-helixtrans-68.2-34.3176.8-62.2174.6000112.5F383 I384 V389 F390 A391 V422 A919 L923 V985F383-L387 HydrophobicContact CD1-CD1 4.19Å; F383-L387 HydrophobicContact CE1-CD1 3.81Å; F383-L387 HydrophobicContact CZ-CD1 4.24Å; F383-L387 WeakPolarHBondContact O-CG 3.49Å; F383-L387 PolarHBondContact O-N 3.26Å; F383-L387 VanDerWaalsContact O-N 3.1Å; I384-L387 PolarHBondContact O-N 2.94Å; L387-V389 PolarHBondContact O-N 3.36Å; L387-F390 PolarHBondContact O-N 3.43Å; L387-F390 VanDerWaalsContact O-N 3.1Å; L387-A391 PolarHBondContact O-N 3.33Å; L387-V422 HydrophobicContact CB-CG1 3.42Å; L387-V422 VanDerWaalsContact CB-CG1 3.42Å; L387-V422 HydrophobicContact CD1-CG1 4.32Å; L387-A919 HydrophobicContact CD1-CB 3.61Å; L387-A919 HydrophobicContact CD2-CB 3.89Å; L387-A919 HydrophobicContact CG-CB 4.37Å; L387-L923 HydrophobicContact CD2-CD1 3.87Å; L387-L923 HydrophobicContact CD2-CD2 4.26Å; L387-L923 HydrophobicContact CD2-CG 4.07Å; L387-V985 HydrophobicContact CD2-CG1 4.3Å
388L91.3Very high87.2Confident64 Ų6461.1 Ų61.134%0.33530%0.295SS..Hα-helixtrans-60.1-30.4177.5-172.267.5000112.1I384 L385 F386 F390 A391 L392 L419I384-L388 WeakPolarHBondContact O-CB 3.24Å; I384-L388 PolarHBondContact O-N 3.07Å; L385-L388 HydrophobicContact CD1-CD2 4.38Å; L385-L388 WeakPolarHBondContact O-CB 3.21Å; L385-L388 PolarHBondContact O-N 2.89Å; F386-L388 VanDerWaalsContact C-N 3.34Å; L388-F390 PolarHBondContact O-N 2.97Å; L388-A391 PolarHBondContact O-N 2.92Å; L388-L392 WeakPolarHBondContact O-CB 3.45Å; L388-L392 PolarHBondContact O-N 3.3Å; L388-L419 HydrophobicContact CD1-CD2 3.97Å
389V92.1Very high87.8Confident85 Ų8556.5 Ų56.552%0.51528%0.277SS..Hα-helixtrans-60.4-45.8174.9176.40000111L385 F386 L387 L392 C393L385-V389 PolarHBondContact O-N 3.4Å; F386-V389 WeakPolarHBondContact O-CB 3.42Å; F386-V389 PolarHBondContact O-N 2.85Å; L387-V389 PolarHBondContact O-N 3.36Å; V389-L392 PolarHBondContact O-N 3.2Å; V389-C393 PolarHBondContact O-N 2.89Å; V389-C393 PolarHBondContact O-SG 3.34Å; V389-C393 VanDerWaalsContact O-SG 3.34Å
390F89.8Confident88.3Confident64 Ų6461.7 Ų61.728%0.28130%0.304SS..Hα-helixtrans-67.4-41.9179.2-68.4-84.2000112F386 L387 L388 L392 C393 A394 L923 F989F386-F390 HydrophobicContact CD2-CE2 4.36Å; F386-F390 HydrophobicContact CE1-CE2 4Å; F386-F390 AromaticContact CE2-CE2 3.77Å; F386-F390 HydrophobicContact CE2-CE2 3.77Å; F386-F390 HydrophobicContact CE2-CZ 4.39Å; F386-F390 AromaticContact CZ-CE2 3.59Å; F386-F390 HydrophobicContact CZ-CE2 3.59Å; F386-F390 HydrophobicContact CZ-CZ 4.2Å; F386-F390 WeakPolarHBondContact O-CD2 3.35Å; L387-F390 PolarHBondContact O-N 3.43Å; L387-F390 VanDerWaalsContact O-N 3.1Å; L388-F390 PolarHBondContact O-N 2.97Å; F390-L392 VanDerWaalsContact C-N 3.32Å; F390-L392 PolarHBondContact O-N 2.98Å; F390-C393 WeakPolarHBondContact O-CB 3.49Å; F390-C393 PolarHBondContact O-N 2.91Å; F390-A394 PolarHBondContact O-N 2.89Å; F390-L923 HydrophobicContact CB-CD2 3.5Å; F390-L923 VanDerWaalsContact CB-CD2 3.5Å; F390-L923 HydrophobicContact CD2-CD2 4.36Å; F390-L923 HydrophobicContact CG-CD2 4.08Å; F390-F989 HydrophobicContact CD1-CD1 4.44Å; F390-F989 HydrophobicContact CD1-CE1 4.14Å
391A90.3Very high88.3Confident1 Ų166.2 Ų66.21%0.00832%0.322CS..Hα-helixtrans-67.6-33.9176.400000112.7L387 L388 C393 A394 A395 L419 V422L387-A391 PolarHBondContact O-N 3.33Å; L388-A391 PolarHBondContact O-N 2.92Å; A391-C393 VanDerWaalsContact C-N 3.35Å; A391-A394 PolarHBondContact O-N 2.93Å; A391-A395 WeakPolarHBondContact O-CB 3.07Å; A391-A395 PolarHBondContact O-N 3.41Å; A391-L419 HydrophobicContact CB-CD2 4.33Å; A391-V422 HydrophobicContact CB-CG2 3.12Å
392L93.1Very high87.4Confident84 Ų8464.7 Ų64.744%0.4432%0.317SS..Hα-helixtrans-64.2-41.2172.7-174.3147.4000110.8L388 V389 F390 A394 A395 L396 L419L388-L392 WeakPolarHBondContact O-CB 3.45Å; L388-L392 PolarHBondContact O-N 3.3Å; V389-L392 PolarHBondContact O-N 3.2Å; F390-L392 VanDerWaalsContact C-N 3.32Å; F390-L392 PolarHBondContact O-N 2.98Å; L392-A394 PolarHBondContact O-N 3.19Å; L392-A395 PolarHBondContact O-N 2.94Å; L392-L396 HydrophobicContact CD2-CD1 3.49Å; L392-L396 VanDerWaalsContact CD2-CD1 3.49Å; L392-L396 HydrophobicContact CD2-CG 4.03Å; L392-L396 HydrophobicContact CG-CD1 4.45Å; L392-L396 VanDerWaalsContact O-CB 3.31Å; L392-L396 WeakPolarHBondContact O-CB 3.29Å; L392-L396 VanDerWaalsContact O-CG 3.24Å; L392-L396 WeakPolarHBondContact O-CG 3.4Å; L392-L396 PolarHBondContact O-N 2.81Å; L392-L419 HydrophobicContact CB-CD2 4.17Å
393C91.4Very high86.4Confident77 Ų7763 Ų6352%0.5231%0.313SS..Hα-helixtrans-60.7-43171.4-670000112.4V389 F390 A391 Y397V389-C393 PolarHBondContact O-N 2.89Å; V389-C393 PolarHBondContact O-SG 3.34Å; V389-C393 VanDerWaalsContact O-SG 3.34Å; F390-C393 WeakPolarHBondContact O-CB 3.49Å; F390-C393 PolarHBondContact O-N 2.91Å; A391-C393 VanDerWaalsContact C-N 3.35Å; C393-Y397 WeakPolarHBondContact O-CB 3.32Å; C393-Y397 PolarHBondContact O-N 2.83Å
394A88.6Confident85.3Confident16 Ų1668.2 Ų68.213%0.13236%0.357CS..Hα-helixtrans-64.7-44.2177.500000112.3F390 A391 L392 Y397 V398 I418F390-A394 PolarHBondContact O-N 2.89Å; A391-A394 PolarHBondContact O-N 2.93Å; L392-A394 PolarHBondContact O-N 3.19Å; A394-Y397 WeakPolarHBondContact O-CB 3.19Å; A394-Y397 PolarHBondContact O-N 3.49Å; A394-V398 PolarHBondContact O-N 3.13Å; A394-I418 HydrophobicContact CB-CG2 3.99Å
395A91.1Very high84.2Confident7 Ų775.6 Ų75.66%0.05839%0.391CS..Hα-helixtrans-65.6-42.3176.800000111.9A391 L392 Y397 V398 W399 C415 I418 L419A391-A395 WeakPolarHBondContact O-CB 3.07Å; A391-A395 PolarHBondContact O-N 3.41Å; L392-A395 PolarHBondContact O-N 2.94Å; A395-Y397 VanDerWaalsContact C-N 3.3Å; A395-Y397 PolarHBondContact O-N 3.43Å; A395-V398 PolarHBondContact O-N 3.2Å; A395-W399 WeakPolarHBondContact O-CB 3.49Å; A395-W399 PolarHBondContact O-N 2.97Å; A395-C415 HydrophobicContact CB-CB 4.34Å; A395-I418 HydrophobicContact CB-CG2 4.21Å; A395-L419 HydrophobicContact CB-CD2 4.32Å; A395-L419 HydrophobicContact CB-CG 4.11Å
396L90.8Very high83.1Confident87 Ų8773.9 Ų73.946%0.45538%0.379SS..Hα-helixtrans-63.2-35.7174.9-75.1-177.9000112.3L392 W399 M400L392-L396 HydrophobicContact CD2-CD1 3.49Å; L392-L396 VanDerWaalsContact CD2-CD1 3.49Å; L392-L396 HydrophobicContact CD2-CG 4.03Å; L392-L396 HydrophobicContact CG-CD1 4.45Å; L392-L396 VanDerWaalsContact O-CB 3.31Å; L392-L396 WeakPolarHBondContact O-CB 3.29Å; L392-L396 VanDerWaalsContact O-CG 3.24Å; L392-L396 WeakPolarHBondContact O-CG 3.4Å; L392-L396 PolarHBondContact O-N 2.81Å; L396-W399 PolarHBondContact O-N 2.97Å; L396-M400 WeakPolarHBondContact O-CB 3.47Å; L396-M400 WeakPolarHBondContact O-CG 3.39Å; L396-M400 PolarHBondContact O-N 3.34Å
397Y88.1Confident82.4Confident115 Ų11574.4 Ų74.445%0.45139%0.388SS..Hα-helixtrans-63.8-42.8175.7174.7-115.6000112C393 A394 A395 K401 L934C393-Y397 WeakPolarHBondContact O-CB 3.32Å; C393-Y397 PolarHBondContact O-N 2.83Å; A394-Y397 WeakPolarHBondContact O-CB 3.19Å; A394-Y397 PolarHBondContact O-N 3.49Å; A395-Y397 VanDerWaalsContact C-N 3.3Å; A395-Y397 PolarHBondContact O-N 3.43Å; Y397-K401 PolarHBondContact O-N 3.13Å; Y397-L934 HydrophobicContact CD1-CD1 3.88Å; Y397-L934 HydrophobicContact CE1-CD1 3.19Å
398V86.9Confident81.9Confident1 Ų183 Ų831%0.00642%0.421CS..Hα-helixtrans-64.6-42.2173.6174.20000111.2A394 A395 K401 L411 I418 Y933 L934A394-V398 PolarHBondContact O-N 3.13Å; A395-V398 PolarHBondContact O-N 3.2Å; V398-K401 PolarHBondContact O-N 2.94Å; V398-L411 HydrophobicContact CG1-CD1 3.8Å; V398-I418 HydrophobicContact CB-CD1 4.49Å; V398-I418 HydrophobicContact CG2-CD1 3.88Å; V398-Y933 HydrophobicContact CG1-CD1 3.51Å; V398-Y933 HydrophobicContact CG1-CE1 3.74Å; V398-L934 HydrophobicContact CG2-CG 4.44Å
399W86.7Confident81.3Confident117 Ų11784.9 Ų84.944%0.44342%0.424SS..Hα-helixtrans-63.9-41.5178.4-174-85.2000113A395 L396 K401 L411A395-W399 WeakPolarHBondContact O-CB 3.49Å; A395-W399 PolarHBondContact O-N 2.97Å; L396-W399 PolarHBondContact O-N 2.97Å; W399-K401 VanDerWaalsContact C-N 3.32Å; W399-K401 PolarHBondContact O-N 3.45Å; W399-L411 HydrophobicContact CD2-CD2 4.29Å; W399-L411 HydrophobicContact CE3-CD2 3.8Å; W399-L411 HydrophobicContact CE3-CG 4.02Å; W399-L411 HydrophobicContact CZ3-CD2 3.98Å; W399-L411 HydrophobicContact CZ3-CG 4.25Å
400M85.4Confident80.7Confident161 Ų16182.9 Ų82.979%0.79341%0.408SS*.Hα-helixtrans-70.5-27.9-178.8-79-174.6158.400113.2L396 E402L396-M400 WeakPolarHBondContact O-CB 3.47Å; L396-M400 WeakPolarHBondContact O-CG 3.39Å; L396-M400 PolarHBondContact O-N 3.34Å; M400-E402 PolarHBondContact O-N 3.34Å
401K79.5Confident80.4Confident103 Ų10380 Ų8045%0.44840%0.396SS..THydrogen-bonded Turntrans-89.539.4179.7-161.8169.9169.2-1660111.4Y397 V398 W399 D403 L934Y397-K401 PolarHBondContact O-N 3.13Å; V398-K401 PolarHBondContact O-N 2.94Å; W399-K401 VanDerWaalsContact C-N 3.32Å; W399-K401 PolarHBondContact O-N 3.45Å; K401-D403 PolarHBondContact O-N 2.86Å; K401-L934 HydrophobicContact CB-CD2 3.81Å; K401-L934 HydrophobicContact CD-CD1 4.1Å; K401-L934 HydrophobicContact CD-CD2 3.77Å; K401-L934 HydrophobicContact CD-CG 4.48Å; K401-L934 HydrophobicContact CG-CD2 4.04Å
402E64.1Low80.2Confident96 Ų9684 Ų8445%0.44942%0.417SS..  trans-63116.3-179.6-172.7179.318000110.9M400 L411M400-E402 PolarHBondContact O-N 3.34Å; E402-L411 HydrophobicContact CG-CD2 4.34Å
403D65.1Low79.8Confident76 Ų7680.5 Ų80.541%0.40640%0.398SS..  trans-89.1134.7166.9-64.8-44.3000109.6K401 E405 R406K401-D403 PolarHBondContact O-N 2.86Å; D403-E405 PolarHBondContact O-N 3.2Å; D403-R406 HydrophobicContact CB-CG 4.08Å; D403-R406 PolarHBondContact O-N 3Å; D403-R406 IonicContact OD2-CZ 2.6Å; D403-R406 VanDerWaalsContact OD2-CZ 3.24Å; D403-R406 IonicContact OD2-NE 3.1Å; D403-R406 PolarHBondContact OD2-NE 2.97Å; D403-R406 IonicContact OD2-NH2 3.05Å; D403-R406 PolarHBondContact OD2-NH2 3.4Å
404A62.5Low79.5Confident113 Ų11377.3 Ų77.393%0.93438%0.376SS*.THydrogen-bonded Turntrans-61.4-16-176.200000115
405E63.4Low79.6Confident189 Ų18977 Ų7788%0.88337%0.373SS*.THydrogen-bonded Turntrans-85.3-10.5177.7-63.9-169.816500113.6D403D403-E405 PolarHBondContact O-N 3.2Å
406R66.2Low79.5Confident44 Ų4478.1 Ų78.117%0.16638%0.381CS..SBendtrans-85.6142.2-173.7-62.8178.8-168.4-141.41.2112.1D403 R408 Y933 L934 I1015D403-R406 HydrophobicContact CB-CG 4.08Å; D403-R406 PolarHBondContact O-N 3Å; D403-R406 IonicContact OD2-CZ 2.6Å; D403-R406 VanDerWaalsContact OD2-CZ 3.24Å; D403-R406 IonicContact OD2-NE 3.1Å; D403-R406 PolarHBondContact OD2-NE 2.97Å; D403-R406 IonicContact OD2-NH2 3.05Å; D403-R406 PolarHBondContact OD2-NH2 3.4Å; R406-R408 PolarHBondContact O-N 3.5Å; R406-Y933 PolarHBondContact NH1-O 2.82Å; R406-L934 PolarHBondContact NH2-O 2.7Å; R406-I1015 HydrophobicContact CG-CD1 4.27Å
407S74Confident79.5Confident59 Ų5974 Ų7441%0.41336%0.36SS..  trans-72.7124.8174.358.50000111.2Y409 K410 L411S407-Y409 PolarHBondContact O-N 3.25Å; S407-Y409 VanDerWaalsContact O-N 3.16Å; S407-K410 PolarHBondContact O-N 3.18Å; S407-K410 VanDerWaalsContact O-N 3.12Å; S407-K410 WeakPolarHBondContact OG-CB 3.47Å; S407-K410 WeakPolarHBondContact OG-CG 3.17Å; S407-L411 PolarHBondContact O-N 3.1Å
408R79.4Confident79.6Confident184 Ų18468.5 Ų68.569%0.69434%0.339SS*.Hα-helixtrans-56.2-33.3-179.2-68.3-176.9175.9170.51.2113.3R406 L411 L412R406-R408 PolarHBondContact O-N 3.5Å; R408-L411 PolarHBondContact O-N 3.29Å; R408-L412 WeakPolarHBondContact O-CB 3.2Å; R408-L412 PolarHBondContact O-N 2.73Å
409Y79.1Confident79.7Confident103 Ų10371.3 Ų71.340%0.40435%0.353SS..Hα-helixtrans-63.7-47.3177.3172.5-96.3000112.3M53 M209 S407 L411 L412 L413M53-Y409 HydrophobicContact CE-CD2 3.93Å; M53-Y409 HydrophobicContact CE-CE2 4.27Å; M53-Y409 HydrophobicContact SD-CD2 3.62Å; M53-Y409 HydrophobicContact SD-CE2 3.77Å; M209-Y409 HydrophobicContact CE-CE2 4.23Å; M209-Y409 WeakPolarHBondContact CE-OH 3.45Å; S407-Y409 PolarHBondContact O-N 3.25Å; S407-Y409 VanDerWaalsContact O-N 3.16Å; Y409-L411 VanDerWaalsContact C-N 3.32Å; Y409-L411 PolarHBondContact O-N 3.2Å; Y409-L412 PolarHBondContact O-N 3.2Å; Y409-L413 HydrophobicContact CE1-CD2 4.49Å; Y409-L413 WeakPolarHBondContact O-CB 2.9Å; Y409-L413 PolarHBondContact O-N 2.93Å
410K79.3Confident79.9Confident44 Ų4466.4 Ų66.419%0.19134%0.336CS..Hα-helixtrans-66.3-35.8177.8-72.7-172.9175.4-176.60111.5S407 L413 E414 I1015 D1016S407-K410 PolarHBondContact O-N 3.18Å; S407-K410 VanDerWaalsContact O-N 3.12Å; S407-K410 WeakPolarHBondContact OG-CB 3.47Å; S407-K410 WeakPolarHBondContact OG-CG 3.17Å; K410-L413 PolarHBondContact O-N 3.21Å; K410-E414 WeakPolarHBondContact O-CB 3.48Å; K410-E414 PolarHBondContact O-N 2.72Å; K410-I1015 HydrophobicContact CD-CG2 4.03Å; K410-D1016 IonicContact NZ-OD1 3.83Å; K410-D1016 PolarHBondContact NZ-OD1 2.98Å
411L83.9Confident79.9Confident4 Ų459.1 Ų59.12%0.02130%0.301CS..Hα-helixtrans-62.5-45.2174.7-175.569.5000111.7V398 W399 E402 S407 R408 Y409 E414 C415 Y933V398-L411 HydrophobicContact CG1-CD1 3.8Å; W399-L411 HydrophobicContact CD2-CD2 4.29Å; W399-L411 HydrophobicContact CE3-CD2 3.8Å; W399-L411 HydrophobicContact CE3-CG 4.02Å; W399-L411 HydrophobicContact CZ3-CD2 3.98Å; W399-L411 HydrophobicContact CZ3-CG 4.25Å; E402-L411 HydrophobicContact CG-CD2 4.34Å; S407-L411 PolarHBondContact O-N 3.1Å; R408-L411 PolarHBondContact O-N 3.29Å; Y409-L411 VanDerWaalsContact C-N 3.32Å; Y409-L411 PolarHBondContact O-N 3.2Å; L411-E414 PolarHBondContact O-N 3.26Å; L411-C415 WeakPolarHBondContact O-CB 3.37Å; L411-C415 PolarHBondContact O-N 3.17Å; L411-C415 PolarHBondContact O-SG 3.1Å; L411-Y933 VanDerWaalsContact CA-OH 3.28Å; L411-Y933 WeakPolarHBondContact CA-OH 3.15Å; L411-Y933 HydrophobicContact CD1-CE1 3.77Å; L411-Y933 PolarHBondContact N-OH 3.06Å
412L85Confident80.2Confident85 Ų8554.4 Ų54.445%0.44528%0.281SS..Hα-helixtrans-64.1-43.5176.1-178.868.2000111.7M53 R408 Y409 C415 A416M53-L412 HydrophobicContact CE-CD2 3.9Å; R408-L412 WeakPolarHBondContact O-CB 3.2Å; R408-L412 PolarHBondContact O-N 2.73Å; Y409-L412 PolarHBondContact O-N 3.2Å; L412-C415 PolarHBondContact O-N 3.47Å; L412-A416 WeakPolarHBondContact O-CB 3.19Å; L412-A416 PolarHBondContact O-N 3.36Å
413L85.9Confident81.1Confident9 Ų951.4 Ų51.45%0.04727%0.268CS..Hα-helixtrans-59-47.3176.8-178.563.7000110.7L206 M209 D210 Y409 K410 A416 L417L206-L413 HydrophobicContact CB-CD1 4.4Å; L206-L413 HydrophobicContact CD2-CD1 4.05Å; M209-L413 HydrophobicContact CB-CD1 4Å; M209-L413 HydrophobicContact CB-CD2 4.05Å; M209-L413 HydrophobicContact CE-CD1 4.35Å; D210-L413 HydrophobicContact CB-CD2 3.95Å; Y409-L413 HydrophobicContact CE1-CD2 4.49Å; Y409-L413 WeakPolarHBondContact O-CB 2.9Å; Y409-L413 PolarHBondContact O-N 2.93Å; K410-L413 PolarHBondContact O-N 3.21Å; L413-A416 CarbonylContact O-C 3.58Å; L413-A416 WeakPolarHBondContact O-CB 3.21Å; L413-A416 PolarHBondContact O-N 2.79Å; L413-A416 VanDerWaalsContact O-N 3.17Å; L413-L417 HydrophobicContact CG-CD1 4.46Å; L413-L417 WeakPolarHBondContact O-CG 3.35Å; L413-L417 PolarHBondContact O-N 2.95Å
414E85.6Confident81.7Confident10 Ų1048.4 Ų48.45%0.04725%0.252CS..Hα-helixtrans-62.8-45.6177.7-173.866-156.600112K410 L411 A416 L417 I418 Y933K410-E414 WeakPolarHBondContact O-CB 3.48Å; K410-E414 PolarHBondContact O-N 2.72Å; L411-E414 PolarHBondContact O-N 3.26Å; E414-A416 PolarHBondContact O-N 2.96Å; E414-L417 WeakPolarHBondContact O-CB 3.35Å; E414-L417 PolarHBondContact O-N 3.27Å; E414-I418 HydrophobicContact CG-CD1 3.99Å; E414-I418 HydrophobicContact CG-CG1 4.4Å; E414-I418 WeakPolarHBondContact O-CG1 3.32Å; E414-I418 PolarHBondContact O-N 3.32Å; E414-Y933 HydrophobicContact CB-CD2 3.87Å; E414-Y933 HydrophobicContact CB-CE1 4.38Å; E414-Y933 HydrophobicContact CB-CE2 3.68Å; E414-Y933 HydrophobicContact CB-CG 4.29Å; E414-Y933 HydrophobicContact CG-CD1 4Å; E414-Y933 HydrophobicContact CG-CD2 3.45Å; E414-Y933 VanDerWaalsContact CG-CD2 3.45Å; E414-Y933 HydrophobicContact CG-CE1 4.34Å; E414-Y933 HydrophobicContact CG-CE2 3.83Å; E414-Y933 HydrophobicContact CG-CG 3.54Å
415C90.1Very high82.4Confident11 Ų1143.5 Ų43.57%0.07421%0.211CC..Hα-helixtrans-58.3-38.6176-69.30000111.2A395 L411 L412 L419A395-C415 HydrophobicContact CB-CB 4.34Å; L411-C415 WeakPolarHBondContact O-CB 3.37Å; L411-C415 PolarHBondContact O-N 3.17Å; L411-C415 PolarHBondContact O-SG 3.1Å; L412-C415 PolarHBondContact O-N 3.47Å; C415-L419 WeakPolarHBondContact O-CB 3.39Å; C415-L419 VanDerWaalsContact O-CG 3.25Å; C415-L419 WeakPolarHBondContact O-CG 3.43Å; C415-L419 PolarHBondContact O-N 3.25Å; C415-L419 VanDerWaalsContact O-N 3.07Å
416A89.5Confident83.1Confident29 Ų2935.3 Ų35.324%0.2417%0.173CC..Hα-helixtrans-66.7-40.8174.100000112.3L206 L412 L413 E414 L419 T420L206-A416 HydrophobicContact CD1-CB 4.22Å; L412-A416 WeakPolarHBondContact O-CB 3.19Å; L412-A416 PolarHBondContact O-N 3.36Å; L413-A416 CarbonylContact O-C 3.58Å; L413-A416 WeakPolarHBondContact O-CB 3.21Å; L413-A416 PolarHBondContact O-N 2.79Å; L413-A416 VanDerWaalsContact O-N 3.17Å; E414-A416 PolarHBondContact O-N 2.96Å; A416-L419 PolarHBondContact O-N 3.08Å; A416-T420 WeakPolarHBondContact O-CB 3.09Å; A416-T420 VanDerWaalsContact O-CG2 3.29Å; A416-T420 WeakPolarHBondContact O-CG2 3.42Å; A416-T420 PolarHBondContact O-N 3.31Å; A416-T420 PolarHBondContact O-OG1 2.92Å
417L89.2Confident83.7Confident1 Ų134.1 Ų34.11%0.00517%0.169CC..Hα-helixtrans-62.1-44.9174.9-70.5179.6000112.5L206 W207 D210 L413 E414 L419 T420 S421L206-L417 HydrophobicContact CB-CD2 3.65Å; W207-L417 HydrophobicContact CG-CD2 4.44Å; D210-L417 HydrophobicContact CB-CD1 3.79Å; L413-L417 HydrophobicContact CG-CD1 4.46Å; L413-L417 WeakPolarHBondContact O-CG 3.35Å; L413-L417 PolarHBondContact O-N 2.95Å; E414-L417 WeakPolarHBondContact O-CB 3.35Å; E414-L417 PolarHBondContact O-N 3.27Å; L417-L419 PolarHBondContact O-N 3.09Å; L417-T420 WeakPolarHBondContact CA-OG1 3.45Å; L417-T420 PolarHBondContact O-N 3.14Å; L417-T420 PolarHBondContact O-OG1 2.86Å; L417-S421 VanDerWaalsContact O-CB 3.32Å; L417-S421 WeakPolarHBondContact O-CB 3.17Å; L417-S421 PolarHBondContact O-N 2.99Å
418I90.1Very high83.6Confident0 Ų032.6 Ų32.60%016%0.158CC..Hα-helixtrans-60.4-46.6175.9-66.9168.4000110.2A394 A395 V398 E414 S421 A926 Q929A394-I418 HydrophobicContact CB-CG2 3.99Å; A395-I418 HydrophobicContact CB-CG2 4.21Å; V398-I418 HydrophobicContact CB-CD1 4.49Å; V398-I418 HydrophobicContact CG2-CD1 3.88Å; E414-I418 HydrophobicContact CG-CD1 3.99Å; E414-I418 HydrophobicContact CG-CG1 4.4Å; E414-I418 WeakPolarHBondContact O-CG1 3.32Å; E414-I418 PolarHBondContact O-N 3.32Å; I418-S421 PolarHBondContact O-OG 3.28Å; I418-A926 HydrophobicContact CG2-CB 4.19Å; I418-Q929 HydrophobicContact CG1-CB 4.34Å
419L90.8Very high83.6Confident59 Ų5924.6 Ų24.631%0.30913%0.129SC..Hα-helixtrans-65.8-41.6179-72.8170.5000112.6L388 A391 L392 A395 C415 A416 L417 V422L388-L419 HydrophobicContact CD1-CD2 3.97Å; A391-L419 HydrophobicContact CB-CD2 4.33Å; L392-L419 HydrophobicContact CB-CD2 4.17Å; A395-L419 HydrophobicContact CB-CD2 4.32Å; A395-L419 HydrophobicContact CB-CG 4.11Å; C415-L419 WeakPolarHBondContact O-CB 3.39Å; C415-L419 VanDerWaalsContact O-CG 3.25Å; C415-L419 WeakPolarHBondContact O-CG 3.43Å; C415-L419 PolarHBondContact O-N 3.25Å; C415-L419 VanDerWaalsContact O-N 3.07Å; A416-L419 PolarHBondContact O-N 3.08Å; L417-L419 PolarHBondContact O-N 3.09Å; L419-V422 WeakPolarHBondContact O-CG2 3.43Å
420T89.4Confident83.6Confident14 Ų1420 Ų209%0.08611%0.111CC..Hα-helixtrans-74.7-26.6-17950.40000113F199 L206 A416 L417 V422 I423F199-T420 HydrophobicContact CE2-CG2 4.36Å; F199-T420 HydrophobicContact CZ-CG2 4.02Å; L206-T420 HydrophobicContact CD1-CG2 3.89Å; A416-T420 WeakPolarHBondContact O-CB 3.09Å; A416-T420 VanDerWaalsContact O-CG2 3.29Å; A416-T420 WeakPolarHBondContact O-CG2 3.42Å; A416-T420 PolarHBondContact O-N 3.31Å; A416-T420 PolarHBondContact O-OG1 2.92Å; L417-T420 WeakPolarHBondContact CA-OG1 3.45Å; L417-T420 PolarHBondContact O-N 3.14Å; L417-T420 PolarHBondContact O-OG1 2.86Å; T420-V422 PolarHBondContact O-N 2.91Å; T420-V422 VanDerWaalsContact O-N 3.08Å; T420-I423 PolarHBondContact O-N 3.45Å
421S85.1Confident83.7Confident8 Ų819 Ų196%0.05611%0.108CC..THydrogen-bonded Turntrans-58.5-22.2176.575.30000113.9L417 I418 I423L417-S421 VanDerWaalsContact O-CB 3.32Å; L417-S421 WeakPolarHBondContact O-CB 3.17Å; L417-S421 PolarHBondContact O-N 2.99Å; I418-S421 PolarHBondContact O-OG 3.28Å; S421-I423 PolarHBondContact O-N 3.43Å
422V86.1Confident83.5Confident4 Ų419.4 Ų19.42%0.02411%0.111CC..THydrogen-bonded Turntrans-60.1-30.6175.4176.20000112.8L387 A391 L419 T420 P424L387-V422 HydrophobicContact CB-CG1 3.42Å; L387-V422 VanDerWaalsContact CB-CG1 3.42Å; L387-V422 HydrophobicContact CD1-CG1 4.32Å; A391-V422 HydrophobicContact CB-CG2 3.12Å; L419-V422 WeakPolarHBondContact O-CG2 3.43Å; T420-V422 PolarHBondContact O-N 2.91Å; T420-V422 VanDerWaalsContact O-N 3.08Å; V422-P424 VanDerWaalsContact C-CD 3.45Å; V422-P424 WeakPolarHBondContact O-CD 3.35Å
423I84.4Confident83.4Confident34 Ų3417.6 Ų17.617%0.17410%0.102CC..SBendtrans-109.786.5-178.9-58.9166.9000106.8F196 F199 I384 T420 S421F196-I423 HydrophobicContact CE2-CG2 3.62Å; F196-I423 HydrophobicContact CZ-CG2 3.66Å; F199-I423 HydrophobicContact CD1-CB 4.32Å; F199-I423 HydrophobicContact CD1-CD1 4.4Å; F199-I423 HydrophobicContact CD1-CG2 3.84Å; F199-I423 HydrophobicContact CE1-CB 3.5Å; F199-I423 VanDerWaalsContact CE1-CB 3.5Å; F199-I423 HydrophobicContact CE1-CD1 3.71Å; F199-I423 HydrophobicContact CE1-CG1 4.2Å; F199-I423 HydrophobicContact CE1-CG2 3.53Å; F199-I423 HydrophobicContact CE2-CD1 4.27Å; F199-I423 HydrophobicContact CZ-CB 4.09Å; F199-I423 HydrophobicContact CZ-CD1 3.61Å; F199-I423 HydrophobicContact CZ-CG1 4.39Å; F199-I423 HydrophobicContact CZ-CG2 4.49Å; I384-I423 HydrophobicContact CG2-CD1 3.74Å; I384-I423 HydrophobicContact CG2-CG1 3.67Å; T420-I423 PolarHBondContact O-N 3.45Å; S421-I423 PolarHBondContact O-N 3.43Å
424P77.7Confident83.4Confident13 Ų1317.4 Ų17.48%0.08410%0.101CC..  trans-71.8147.9-176.727.4-33.6000111.2V422 E426 L427 L918V422-P424 VanDerWaalsContact C-CD 3.45Å; V422-P424 WeakPolarHBondContact O-CD 3.35Å; P424-E426 WeakPolarHBondContact CB-OE2 3.37Å; P424-E426 PolarHBondContact O-N 3.37Å; P424-L427 PolarHBondContact O-N 2.98Å; P424-L918 HydrophobicContact CB-CG 4.46Å; P424-L918 HydrophobicContact CG-CD1 3.69Å; P424-L918 HydrophobicContact CG-CD2 3.09Å; P424-L918 HydrophobicContact CG-CG 3.29Å
425P76.6Confident83.4Confident10 Ų1017 Ų177%0.06510%0.099CC..THydrogen-bonded Turntrans-68-18.1-176.130.5-37.8000113.1Q200 W207 T219 L223 L427Q200-P425 HydrophobicContact CG-CB 4.33Å; Q200-P425 PolarHBondContact NE2-O 2.91Å; W207-P425 HydrophobicContact CH2-CG 3.88Å; W207-P425 HydrophobicContact CZ3-CG 4.42Å; T219-P425 HydrophobicContact CG2-CB 4.09Å; T219-P425 HydrophobicContact CG2-CG 3.87Å; L223-P425 HydrophobicContact CD1-CB 4.24Å; L223-P425 HydrophobicContact CD2-CB 4.41Å; P425-L427 VanDerWaalsContact C-N 3.31Å; P425-L427 PolarHBondContact O-N 3.39Å
426E77.9Confident83.1Confident17 Ų1718.6 Ų18.68%0.07911%0.107CC..THydrogen-bonded Turntrans-76.8-18.1-176.9-5978.8-167.800113.2P424 I429 E430 L951 V952P424-E426 WeakPolarHBondContact CB-OE2 3.37Å; P424-E426 PolarHBondContact O-N 3.37Å; E426-I429 WeakPolarHBondContact O-CB 3.36Å; E426-I429 PolarHBondContact O-N 2.98Å; E426-E430 HydrophobicContact CB-CG 4.31Å; E426-E430 WeakPolarHBondContact CB-OE1 3.38Å; E426-E430 WeakPolarHBondContact O-CB 3.4Å; E426-E430 WeakPolarHBondContact O-CG 3.42Å; E426-E430 PolarHBondContact O-N 2.93Å; E426-L951 HydrophobicContact CB-CD2 4.22Å; E426-L951 HydrophobicContact CG-CD2 3.69Å; E426-V952 HydrophobicContact CG-CG2 3.96Å
427L78.9Confident82.9Confident18 Ų1819.2 Ų19.29%0.09411%0.105CC..Hα-helixtrans-52.3-47.6-169.7-176.468.3000115.2F196 P424 P425 L431 F915 L918F196-L427 HydrophobicContact CE2-CD2 3.95Å; F196-L427 HydrophobicContact CZ-CB 3.93Å; F196-L427 HydrophobicContact CZ-CD2 4.03Å; F196-L427 HydrophobicContact CZ-CG 4.46Å; P424-L427 PolarHBondContact O-N 2.98Å; P425-L427 VanDerWaalsContact C-N 3.31Å; P425-L427 PolarHBondContact O-N 3.39Å; L427-L431 PolarHBondContact O-N 2.99Å; L427-F915 HydrophobicContact CD1-CD1 3.71Å; L427-F915 HydrophobicContact CD1-CE1 3.52Å; L427-F915 HydrophobicContact CD1-CZ 4.32Å; L427-F915 HydrophobicContact CD2-CE1 4.23Å; L427-F915 HydrophobicContact CG-CE1 4.26Å; L427-L918 HydrophobicContact CB-CD1 3.84Å; L427-L918 HydrophobicContact CD1-CD1 3.48Å; L427-L918 VanDerWaalsContact CD1-CD1 3.48Å; L427-L918 HydrophobicContact CD1-CD2 4.03Å; L427-L918 HydrophobicContact CD1-CG 4.34Å; L427-L918 HydrophobicContact CG-CD1 4.29Å
428P72.6Confident82.8Confident28 Ų2819.4 Ų19.418%0.18211%0.106CC..Hα-helixtrans-75.1-32.3179.5-12.629.1000112.5F196 E430 S432F196-P428 HydrophobicContact CD1-CB 4.39Å; F196-P428 HydrophobicContact CD1-CG 3.07Å; F196-P428 HydrophobicContact CD2-CG 4.47Å; F196-P428 HydrophobicContact CE1-CB 4.48Å; F196-P428 HydrophobicContact CE1-CG 2.98Å; F196-P428 HydrophobicContact CE2-CG 4.4Å; F196-P428 HydrophobicContact CG-CG 3.88Å; F196-P428 HydrophobicContact CZ-CG 3.71Å; P428-E430 VanDerWaalsContact C-N 3.32Å; P428-S432 VanDerWaalsContact O-CB 3.26Å; P428-S432 WeakPolarHBondContact O-CB 3.38Å; P428-S432 PolarHBondContact O-N 3.45Å; P428-S432 VanDerWaalsContact O-N 3.13Å; P428-S432 PolarHBondContact O-OG 2.92Å
429I77.6Confident82.6Confident16 Ų1621 Ų218%0.08212%0.115CC..Hα-helixtrans-61.4-49.2178.6-61.4167000108.4L222 L223 F226 E426 S432 L433L222-I429 HydrophobicContact CG-CD1 4.46Å; L223-I429 HydrophobicContact CD2-CD1 3.6Å; L223-I429 HydrophobicContact CD2-CG1 4.27Å; F226-I429 HydrophobicContact CB-CG1 4.4Å; F226-I429 HydrophobicContact CD1-CB 4.23Å; F226-I429 HydrophobicContact CD1-CG1 3.66Å; F226-I429 HydrophobicContact CD1-CG2 4.31Å; F226-I429 HydrophobicContact CD2-CG2 3.83Å; F226-I429 HydrophobicContact CE1-CB 4.19Å; F226-I429 HydrophobicContact CE1-CG1 4.07Å; F226-I429 HydrophobicContact CE1-CG2 4.3Å; F226-I429 HydrophobicContact CE2-CG2 3.85Å; F226-I429 HydrophobicContact CG-CB 4.45Å; F226-I429 HydrophobicContact CG-CG1 3.92Å; F226-I429 HydrophobicContact CG-CG2 4.07Å; F226-I429 HydrophobicContact CZ-CB 4.42Å; F226-I429 HydrophobicContact CZ-CG2 4.11Å; E426-I429 WeakPolarHBondContact O-CB 3.36Å; E426-I429 PolarHBondContact O-N 2.98Å; I429-S432 PolarHBondContact O-N 2.95Å; I429-L433 HydrophobicContact CG2-CD1 3.84Å; I429-L433 HydrophobicContact CG2-CG 4.25Å; I429-L433 WeakPolarHBondContact O-CB 3.33Å; I429-L433 WeakPolarHBondContact O-CG 3.4Å; I429-L433 PolarHBondContact O-N 2.72Å
430E80.9Confident82.3Confident5 Ų522.7 Ų22.72%0.02312%0.123CC..Hα-helixtrans-56.3-52.4179.5-82.2178.4-150.200113.5E426 P428 S432 L433 A434 M914 L918 F955E426-E430 HydrophobicContact CB-CG 4.31Å; E426-E430 WeakPolarHBondContact CB-OE1 3.38Å; E426-E430 WeakPolarHBondContact O-CB 3.4Å; E426-E430 WeakPolarHBondContact O-CG 3.42Å; E426-E430 PolarHBondContact O-N 2.93Å; P428-E430 VanDerWaalsContact C-N 3.32Å; E430-S432 VanDerWaalsContact C-N 3.27Å; E430-S432 PolarHBondContact O-N 3.48Å; E430-L433 PolarHBondContact O-N 2.98Å; E430-A434 PolarHBondContact O-N 3.01Å; E430-M914 HydrophobicContact CB-CE 3.32Å; E430-M914 HydrophobicContact CB-SD 4.45Å; E430-M914 HydrophobicContact CG-CE 3.49Å; E430-M914 VanDerWaalsContact CG-CE 3.49Å; E430-L918 WeakPolarHBondContact OE2-CD1 3.28Å; E430-F955 VanDerWaalsContact CD-CD2 3.49Å; E430-F955 VanDerWaalsContact CD-CG 3.45Å; E430-F955 HydrophobicContact CG-CB 3.94Å; E430-F955 HydrophobicContact CG-CD1 4.22Å; E430-F955 HydrophobicContact CG-CD2 4.26Å; E430-F955 HydrophobicContact CG-CG 3.91Å; E430-F955 WeakPolarHBondContact OE1-CD2 3.38Å; E430-F955 WeakPolarHBondContact OE1-CE2 3.23Å; E430-F955 WeakPolarHBondContact OE1-CG 3.45Å; E430-F955 WeakPolarHBondContact OE2-CE1 3.04Å
431L80.7Confident82.3Confident25 Ų2523.2 Ų23.213%0.13113%0.127CC..Hα-helixtrans-62.3-40-179.1-169.4148.7000111A375 L427 V435 F453 T911 F915A375-L431 HydrophobicContact CB-CD1 3.98Å; A375-L431 HydrophobicContact CB-CD2 3.91Å; L427-L431 PolarHBondContact O-N 2.99Å; L431-V435 HydrophobicContact CD2-CG2 4.48Å; L431-V435 WeakPolarHBondContact O-CG2 3.45Å; L431-V435 PolarHBondContact O-N 2.67Å; L431-F453 HydrophobicContact CD2-CD1 3.8Å; L431-F453 HydrophobicContact CD2-CE1 3.48Å; L431-F453 VanDerWaalsContact CD2-CE1 3.48Å; L431-T911 HydrophobicContact CG-CG2 4.17Å; L431-F915 HydrophobicContact CD1-CE2 4.08Å; L431-F915 HydrophobicContact CD1-CZ 3.98Å
432S79.2Confident82.4Confident11 Ų1122.9 Ų22.98%0.07713%0.125CC..Hα-helixtrans-68.8-38.8178.2-59.20000112.3F226 P428 I429 E430 V435 N436F226-S432 VanDerWaalsContact CZ-CB 3.43Å; P428-S432 VanDerWaalsContact O-CB 3.26Å; P428-S432 WeakPolarHBondContact O-CB 3.38Å; P428-S432 PolarHBondContact O-N 3.45Å; P428-S432 VanDerWaalsContact O-N 3.13Å; P428-S432 PolarHBondContact O-OG 2.92Å; I429-S432 PolarHBondContact O-N 2.95Å; E430-S432 VanDerWaalsContact C-N 3.27Å; E430-S432 PolarHBondContact O-N 3.48Å; S432-V435 PolarHBondContact O-N 2.97Å; S432-N436 WeakPolarHBondContact O-CB 3.23Å; S432-N436 PolarHBondContact O-N 2.91Å; S432-N436 PolarHBondContact O-ND2 2.92Å
433L83.8Confident82.3Confident48 Ų4825.8 Ų25.825%0.25114%0.138SC..Hα-helixtrans-64.2-44.1175.1-76.2174.6000112.1F226 I429 E430 V435 N436 H437F226-L433 HydrophobicContact CE2-CD2 4.29Å; F226-L433 HydrophobicContact CE2-CG 4.29Å; I429-L433 HydrophobicContact CG2-CD1 3.84Å; I429-L433 HydrophobicContact CG2-CG 4.25Å; I429-L433 WeakPolarHBondContact O-CB 3.33Å; I429-L433 WeakPolarHBondContact O-CG 3.4Å; I429-L433 PolarHBondContact O-N 2.72Å; E430-L433 PolarHBondContact O-N 2.98Å; L433-V435 VanDerWaalsContact C-N 3.33Å; L433-V435 PolarHBondContact O-N 2.83Å; L433-N436 PolarHBondContact O-N 2.88Å; L433-H437 PolarHBondContact O-N 3.37Å
434A85.7Confident82.4Confident4 Ų431.1 Ų31.13%0.03316%0.16CC..Hα-helixtrans-60-43.8176.900000111.6E430 S438 T910 T911 M914E430-A434 PolarHBondContact O-N 3.01Å; A434-S438 PolarHBondContact O-N 3.36Å; A434-T910 HydrophobicContact CB-CG2 4.22Å; A434-T911 HydrophobicContact CB-CG2 4.15Å; A434-M914 HydrophobicContact CB-SD 4.29Å
435V85.2Confident82.8Confident1 Ų133.5 Ų33.51%0.00617%0.171CC..Hα-helixtrans-65.2-47.9175.7173.60000110.9L431 S432 L433 H437 S438 L439 P452 F453 T907L431-V435 HydrophobicContact CD2-CG2 4.48Å; L431-V435 WeakPolarHBondContact O-CG2 3.45Å; L431-V435 PolarHBondContact O-N 2.67Å; S432-V435 PolarHBondContact O-N 2.97Å; L433-V435 VanDerWaalsContact C-N 3.33Å; L433-V435 PolarHBondContact O-N 2.83Å; V435-H437 VanDerWaalsContact C-N 3.3Å; V435-H437 PolarHBondContact O-N 3.44Å; V435-S438 WeakPolarHBondContact O-CB 3.37Å; V435-S438 PolarHBondContact O-N 3.42Å; V435-S438 PolarHBondContact O-OG 2.67Å; V435-L439 HydrophobicContact CG1-CG 4.43Å; V435-L439 WeakPolarHBondContact O-CG 3.3Å; V435-L439 PolarHBondContact O-N 3.44Å; V435-P452 HydrophobicContact CG1-CB 3.55Å; V435-P452 VanDerWaalsContact CG1-O 3.23Å; V435-P452 WeakPolarHBondContact CG1-O 3.45Å; V435-F453 HydrophobicContact CG2-CD1 4.47Å; V435-T907 HydrophobicContact CG2-CG2 4.06Å
436N83.3Confident83.1Confident46 Ų4633.3 Ų33.325%0.24617%0.172CC..Hα-helixtrans-61-37.2-178.7-74.3-20000113S432 L433 S438 L439 I440S432-N436 WeakPolarHBondContact O-CB 3.23Å; S432-N436 PolarHBondContact O-N 2.91Å; S432-N436 PolarHBondContact O-ND2 2.92Å; L433-N436 PolarHBondContact O-N 2.88Å; N436-S438 VanDerWaalsContact C-N 3.33Å; N436-S438 PolarHBondContact O-N 3.05Å; N436-L439 WeakPolarHBondContact O-CB 3.37Å; N436-L439 PolarHBondContact O-N 2.79Å; N436-I440 WeakPolarHBondContact O-CG1 3.32Å; N436-I440 PolarHBondContact O-N 2.99Å; N436-I440 VanDerWaalsContact O-N 3.12Å
437H86.1Confident83.5Confident41 Ų4132.7 Ų32.719%0.1917%0.169CC..Hα-helixtrans-63.1-41174.9-173.162000112.4L433 V435 L439 I440 S441 S959 R960L433-H437 PolarHBondContact O-N 3.37Å; V435-H437 VanDerWaalsContact C-N 3.3Å; V435-H437 PolarHBondContact O-N 3.44Å; H437-L439 VanDerWaalsContact C-N 3.33Å; H437-L439 PolarHBondContact O-N 2.94Å; H437-I440 PolarHBondContact O-N 3.49Å; H437-S441 PolarHBondContact O-N 3.11Å; H437-S441 VanDerWaalsContact O-N 3.14Å; H437-S441 PolarHBondContact O-OG 3.31Å; H437-S441 VanDerWaalsContact O-OG 3.05Å; H437-S959 WeakPolarHBondContact CB-O 3.47Å; H437-S959 PolarHBondContact CD2-O 2.72Å; H437-S959 VanDerWaalsContact CD2-O 3.25Å; H437-R960 PolarHBondContact NE2-O 3.28Å
438S86.9Confident83.6Confident5 Ų533 Ų334%0.03517%0.169CC..Hα-helixtrans-66-35.4176.272.50000112.4A434 V435 N436 S441 L442 V455 T907A434-S438 PolarHBondContact O-N 3.36Å; V435-S438 WeakPolarHBondContact O-CB 3.37Å; V435-S438 PolarHBondContact O-N 3.42Å; V435-S438 PolarHBondContact O-OG 2.67Å; N436-S438 VanDerWaalsContact C-N 3.33Å; N436-S438 PolarHBondContact O-N 3.05Å; S438-S441 PolarHBondContact O-N 2.93Å; S438-L442 WeakPolarHBondContact O-CB 3.41Å; S438-L442 WeakPolarHBondContact O-CG 3.44Å; S438-L442 PolarHBondContact O-N 3.49Å; S438-V455 WeakPolarHBondContact OG-CG1 3.38Å; S438-T907 VanDerWaalsContact CB-OG1 3.23Å; S438-T907 WeakPolarHBondContact CB-OG1 3.36Å; S438-T907 PolarHBondContact OG-OG1 2.95Å
439L85.1Confident83.9Confident35 Ų3532.8 Ų32.818%0.18317%0.169CC..Hα-helixtrans-62.1-46.9174.2-67.1-179.1000112.2V435 N436 H437 S441 L442 H443 C449 P452 V455V435-L439 HydrophobicContact CG1-CG 4.43Å; V435-L439 WeakPolarHBondContact O-CG 3.3Å; V435-L439 PolarHBondContact O-N 3.44Å; N436-L439 WeakPolarHBondContact O-CB 3.37Å; N436-L439 PolarHBondContact O-N 2.79Å; H437-L439 VanDerWaalsContact C-N 3.33Å; H437-L439 PolarHBondContact O-N 2.94Å; L439-S441 PolarHBondContact O-N 3.25Å; L439-L442 PolarHBondContact O-N 2.94Å; L439-H443 VanDerWaalsContact O-CB 3.26Å; L439-H443 WeakPolarHBondContact O-CB 3.46Å; L439-H443 PolarHBondContact O-N 2.95Å; L439-C449 HydrophobicContact CD2-CB 3.48Å; L439-C449 VanDerWaalsContact CD2-CB 3.48Å; L439-P452 HydrophobicContact CD1-CB 3.88Å; L439-P452 HydrophobicContact CD1-CG 3.81Å; L439-V455 HydrophobicContact CD2-CG2 4.18Å
440I86.2Confident83.7Confident93 Ų9334.8 Ų34.848%0.47718%0.181SC..Hα-helixtrans-60.9-39.5178.1-65.2165.1000110.2N436 H437 K444N436-I440 WeakPolarHBondContact O-CG1 3.32Å; N436-I440 PolarHBondContact O-N 2.99Å; N436-I440 VanDerWaalsContact O-N 3.12Å; H437-I440 PolarHBondContact O-N 3.49Å; I440-K444 WeakPolarHBondContact O-CG 3.47Å; I440-K444 PolarHBondContact O-N 2.79Å; I440-K444 VanDerWaalsContact O-N 3.15Å
441S87.5Confident83.4Confident25 Ų2536 Ų3618%0.17519%0.187CC..Hα-helixtrans-70.7-40.7179.3-58.10000112.5H437 S438 L439 K444 L445 H903H437-S441 PolarHBondContact O-N 3.11Å; H437-S441 VanDerWaalsContact O-N 3.14Å; H437-S441 PolarHBondContact O-OG 3.31Å; H437-S441 VanDerWaalsContact O-OG 3.05Å; S438-S441 PolarHBondContact O-N 2.93Å; L439-S441 PolarHBondContact O-N 3.25Å; S441-K444 PolarHBondContact O-N 3.02Å; S441-L445 PolarHBondContact O-N 2.91Å; S441-H903 WeakPolarHBondContact CB-NE2 3.42Å
442L88.4Confident83.3Confident1 Ų136.3 Ų36.31%0.00519%0.191CC..Hα-helixtrans-64.8-40.1173.4-75.6171.1000111.7S438 L439 K444 L445 G446 I447 V455 F887 V900 H903S438-L442 WeakPolarHBondContact O-CB 3.41Å; S438-L442 WeakPolarHBondContact O-CG 3.44Å; S438-L442 PolarHBondContact O-N 3.49Å; L439-L442 PolarHBondContact O-N 2.94Å; L442-K444 VanDerWaalsContact C-N 3.31Å; L442-K444 PolarHBondContact O-N 2.95Å; L442-L445 CarbonylContact O-C 3.48Å; L442-L445 WeakPolarHBondContact O-CA 3.23Å; L442-L445 WeakPolarHBondContact O-CB 3.48Å; L442-L445 PolarHBondContact O-N 3.39Å; L442-G446 PolarHBondContact O-N 3.18Å; L442-I447 CarbonylContact C-O 3.36Å; L442-I447 HydrophobicContact CB-CB 4.21Å; L442-I447 HydrophobicContact CB-CG2 4.49Å; L442-I447 HydrophobicContact CD2-CB 4.3Å; L442-I447 HydrophobicContact CD2-CD1 3.95Å; L442-I447 HydrophobicContact CD2-CG2 4.33Å; L442-I447 PolarHBondContact O-N 3.46Å; L442-I447 VanDerWaalsContact O-O 3.14Å; L442-V455 HydrophobicContact CD1-CG2 4.3Å; L442-F887 HydrophobicContact CD1-CE1 4.16Å; L442-V900 HydrophobicContact CD2-CG2 4.38Å; L442-H903 HydrophobicContact CD1-CB 4.34Å; L442-H903 HydrophobicContact CD2-CB 4.07Å; L442-H903 HydrophobicContact CG-CB 4.17Å
443H84.7Confident83.4Confident66 Ų6638.5 Ų38.531%0.30620%0.199SC..Hα-helixtrans-60.2-41.2176.6-178-101.6000111.7L439 L445 G446 I447 F448L439-H443 VanDerWaalsContact O-CB 3.26Å; L439-H443 WeakPolarHBondContact O-CB 3.46Å; L439-H443 PolarHBondContact O-N 2.95Å; H443-L445 PolarHBondContact O-N 3.09Å; H443-G446 PolarHBondContact O-N 3.2Å; H443-I447 WeakPolarHBondContact CA-O 3.39Å; H443-I447 PolarHBondContact N-O 3.44Å; H443-F448 AromaticContact CD2-CD1 3.57Å; H443-F448 AromaticContact CD2-CE1 3.29Å; H443-F448 WeakPolarHBondContact CD2-CE1 3.38Å; H443-F448 AromaticContact NE2-CE1 3.39Å; H443-F448 WeakPolarHBondContact NE2-CE1 3.43Å
444K85.4Confident83.5Confident146 Ų14636.2 Ų36.264%0.63519%0.187SC*.Hα-helixtrans-62.2-23173.3-72.1177-178.5-170.40113.6I440 S441 L442 G446I440-K444 WeakPolarHBondContact O-CG 3.47Å; I440-K444 PolarHBondContact O-N 2.79Å; I440-K444 VanDerWaalsContact O-N 3.15Å; S441-K444 PolarHBondContact O-N 3.02Å; L442-K444 VanDerWaalsContact C-N 3.31Å; L442-K444 PolarHBondContact O-N 2.95Å; K444-G446 VanDerWaalsContact C-N 3.33Å
445L86.3Confident83.7Confident62 Ų6236.1 Ų36.133%0.32519%0.186SC..THydrogen-bonded Turntrans-91.36.4174.7-63.8167.3000112.8S441 L442 H443 I447 H899 H903S441-L445 PolarHBondContact O-N 2.91Å; L442-L445 CarbonylContact O-C 3.48Å; L442-L445 WeakPolarHBondContact O-CA 3.23Å; L442-L445 WeakPolarHBondContact O-CB 3.48Å; L442-L445 PolarHBondContact O-N 3.39Å; H443-L445 PolarHBondContact O-N 3.09Å; L445-I447 VanDerWaalsContact C-N 3.3Å; L445-I447 HydrophobicContact CB-CD1 4.36Å; L445-H899 HydrophobicContact CD1-CB 4.12Å; L445-H899 WeakPolarHBondContact CD1-ND1 3.39Å; L445-H903 VanDerWaalsContact CD1-CE1 3.42Å; L445-H903 WeakPolarHBondContact CD1-CE1 3.27Å
446G82.4Confident83.9Confident7 Ų737 Ų377%0.07219%0.191CC..THydrogen-bonded Turntrans73.321.1-177.200000113.7L442 H443 K444 K890L442-G446 PolarHBondContact O-N 3.18Å; H443-G446 PolarHBondContact O-N 3.2Å; K444-G446 VanDerWaalsContact C-N 3.33Å; G446-K890 WeakPolarHBondContact O-CB 3.43Å; G446-K890 PolarHBondContact O-N 3.38Å
447I86.3Confident84.1Confident3 Ų336.7 Ų36.72%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-108117.4176.4-58.3164000108.2L442 H443 L445 F887 H899 V900L442-I447 CarbonylContact C-O 3.36Å; L442-I447 HydrophobicContact CB-CB 4.21Å; L442-I447 HydrophobicContact CB-CG2 4.49Å; L442-I447 HydrophobicContact CD2-CB 4.3Å; L442-I447 HydrophobicContact CD2-CD1 3.95Å; L442-I447 HydrophobicContact CD2-CG2 4.33Å; L442-I447 PolarHBondContact O-N 3.46Å; L442-I447 VanDerWaalsContact O-O 3.14Å; H443-I447 WeakPolarHBondContact CA-O 3.39Å; H443-I447 PolarHBondContact N-O 3.44Å; L445-I447 VanDerWaalsContact C-N 3.3Å; L445-I447 HydrophobicContact CB-CD1 4.36Å; I447-F887 HydrophobicContact CG2-CB 4.43Å; I447-F887 HydrophobicContact CG2-CD1 4.29Å; I447-H899 HydrophobicContact CD1-CB 3.6Å; I447-V900 HydrophobicContact CD1-CG2 4.23Å; I447-V900 HydrophobicContact CG2-CG2 4.01Å
448F81.7Confident84.3Confident24 Ų2434.8 Ų34.811%0.10518%0.179CC..EExtended strand (participates in β ladder)trans-96147.5177.3-57-84.9000109.3H443 F875 F887 T888 K890H443-F448 AromaticContact CD2-CD1 3.57Å; H443-F448 AromaticContact CD2-CE1 3.29Å; H443-F448 WeakPolarHBondContact CD2-CE1 3.38Å; H443-F448 AromaticContact NE2-CE1 3.39Å; H443-F448 WeakPolarHBondContact NE2-CE1 3.43Å; F448-F875 HydrophobicContact CD1-CD2 4.24Å; F448-F875 AromaticContact CD1-CE2 3.37Å; F448-F875 HydrophobicContact CD1-CE2 3.37Å; F448-F875 AromaticContact CD1-CZ 3.72Å; F448-F875 HydrophobicContact CD1-CZ 3.72Å; F448-F875 AromaticContact CE1-CD2 3.82Å; F448-F875 HydrophobicContact CE1-CD2 3.82Å; F448-F875 AromaticContact CE1-CE2 3.41Å; F448-F875 HydrophobicContact CE1-CE2 3.41Å; F448-F875 VanDerWaalsContact CE1-CE2 3.41Å; F448-F875 HydrophobicContact CE1-CZ 4.12Å; F448-F875 HydrophobicContact CG-CE2 4.33Å; F448-F875 HydrophobicContact CG-CZ 4.28Å; F448-F875 HydrophobicContact CZ-CE2 4.4Å; F448-F887 CarbonylContact O-C 3.45Å; F448-F887 VanDerWaalsContact O-CA 3.26Å; F448-F887 WeakPolarHBondContact O-CA 3.25Å; F448-T888 PolarHBondContact N-O 3.02Å; F448-T888 PolarHBondContact O-N 2.66Å; F448-K890 HydrophobicContact CE2-CB 4.2Å
449C78.7Confident84.3Confident25 Ų2534.9 Ų34.917%0.16918%0.181CC..EExtended strand (participates in β ladder)trans-131.7121-180176.80000109.3L439 E451 P886 F887L439-C449 HydrophobicContact CD2-CB 3.48Å; L439-C449 VanDerWaalsContact CD2-CB 3.48Å; C449-E451 PolarHBondContact SG-O 3.13Å; C449-E451 VanDerWaalsContact SG-O 3.33Å; C449-P886 CarbonylContact C-O 3.57Å; C449-P886 VanDerWaalsContact CA-O 3.24Å; C449-P886 WeakPolarHBondContact CA-O 3.41Å; C449-F887 HydrophobicContact CB-CD1 3.77Å; C449-F887 HydrophobicContact CB-CE1 3.77Å; C449-F887 WeakPolarHBondContact SG-CE1 3.33Å
450T72.9Confident84.5Confident57 Ų5735.1 Ų35.135%0.3518%0.181SC..SBendtrans-84.8-29.2178.1550000111.6P452 A885 P886T450-P452 WeakPolarHBondContact O-CD 3.41Å; T450-A885 PolarHBondContact OG1-O 2.8Å; T450-P886 PolarHBondContact N-O 3.14Å; T450-P886 WeakPolarHBondContact OG1-CA 2.99Å; T450-P886 PolarHBondContact OG1-O 3.39Å
451E74.7Confident84.6Confident30 Ų3030.8 Ų30.814%0.1416%0.158CC..  trans-121.387.7-178.1-71.6-173.5-141.400112.1C449 F453 R454 K795C449-E451 PolarHBondContact SG-O 3.13Å; C449-E451 VanDerWaalsContact SG-O 3.33Å; E451-F453 VanDerWaalsContact C-N 3.34Å; E451-F453 PolarHBondContact O-N 3.36Å; E451-R454 HydrophobicContact CB-CG 4.15Å; E451-R454 WeakPolarHBondContact O-CB 3.47Å; E451-R454 PolarHBondContact O-N 3.48Å; E451-R454 IonicContact OE1-NE 3.84Å; E451-R454 IonicContact OE1-NH2 3.62Å; E451-R454 WeakPolarHBondContact OE2-CD 3.45Å; E451-R454 IonicContact OE2-CZ 2.61Å; E451-R454 IonicContact OE2-NE 3.52Å; E451-R454 PolarHBondContact OE2-NE 3.09Å; E451-R454 IonicContact OE2-NH2 2.89Å; E451-R454 PolarHBondContact OE2-NH2 3.05Å; E451-K795 IonicContact OE1-NZ 3.9Å; E451-K795 PolarHBondContact OE1-NZ 3.27Å
452P79Confident84.6Confident33 Ų3331.2 Ų31.221%0.21416%0.159CC..G310 helixtrans-50.1-43.9-174-3438.6000116.1V435 L439 T450 R454 V455V435-P452 HydrophobicContact CG1-CB 3.55Å; V435-P452 VanDerWaalsContact CG1-O 3.23Å; V435-P452 WeakPolarHBondContact CG1-O 3.45Å; L439-P452 HydrophobicContact CD1-CB 3.88Å; L439-P452 HydrophobicContact CD1-CG 3.81Å; T450-P452 WeakPolarHBondContact O-CD 3.41Å; P452-R454 PolarHBondContact O-N 2.98Å; P452-R454 VanDerWaalsContact O-N 3.07Å; P452-V455 WeakPolarHBondContact O-CB 3.33Å; P452-V455 VanDerWaalsContact O-CG2 3.29Å; P452-V455 WeakPolarHBondContact O-CG2 3.35Å; P452-V455 PolarHBondContact O-N 2.86Å; P452-V455 VanDerWaalsContact O-N 3.1Å
453F82.1Confident84.7Confident56 Ų5631.4 Ų31.425%0.24616%0.16CC..G310 helixtrans-71.1-2.7-176.3-64.3-72.9000113.9I373 L431 V435 E451 P456 F457I373-F453 VanDerWaalsContact O-CB 3.27Å; I373-F453 WeakPolarHBondContact O-CB 3.47Å; I373-F453 WeakPolarHBondContact O-CD2 3.28Å; I373-F453 WeakPolarHBondContact O-CG 3.48Å; L431-F453 HydrophobicContact CD2-CD1 3.8Å; L431-F453 HydrophobicContact CD2-CE1 3.48Å; L431-F453 VanDerWaalsContact CD2-CE1 3.48Å; V435-F453 HydrophobicContact CG2-CD1 4.47Å; E451-F453 VanDerWaalsContact C-N 3.34Å; E451-F453 PolarHBondContact O-N 3.36Å; F453-P456 WeakPolarHBondContact O-CD 3.18Å; F453-P456 VanDerWaalsContact O-CG 3.31Å; F453-P456 WeakPolarHBondContact O-CG 3.42Å; F453-F457 VanDerWaalsContact O-CD2 3.24Å; F453-F457 WeakPolarHBondContact O-CD2 3.44Å; F453-F457 WeakPolarHBondContact O-CE2 3.48Å
454R86.1Confident85Confident1 Ų128.2 Ų28.20%0.00415%0.145CC..G310 helixtrans-80-17.7169.7-73.9-179.6176.3-130.124.5114I373 E451 P452 F457 A458 K795 A797 D798 P886 F887I373-R454 HydrophobicContact CD1-CG 3.75Å; E451-R454 HydrophobicContact CB-CG 4.15Å; E451-R454 WeakPolarHBondContact O-CB 3.47Å; E451-R454 PolarHBondContact O-N 3.48Å; E451-R454 IonicContact OE1-NE 3.84Å; E451-R454 IonicContact OE1-NH2 3.62Å; E451-R454 WeakPolarHBondContact OE2-CD 3.45Å; E451-R454 IonicContact OE2-CZ 2.61Å; E451-R454 IonicContact OE2-NE 3.52Å; E451-R454 PolarHBondContact OE2-NE 3.09Å; E451-R454 IonicContact OE2-NH2 2.89Å; E451-R454 PolarHBondContact OE2-NH2 3.05Å; P452-R454 PolarHBondContact O-N 2.98Å; P452-R454 VanDerWaalsContact O-N 3.07Å; R454-F457 WeakPolarHBondContact O-CB 3.3Å; R454-F457 PolarHBondContact O-N 2.93Å; R454-F457 VanDerWaalsContact O-N 3.08Å; R454-A458 PolarHBondContact O-N 3.08Å; R454-K795 PolarHBondContact NH2-O 3.27Å; R454-A797 PolarHBondContact NH1-O 2.85Å; R454-D798 WeakPolarHBondContact CD-O 3.29Å; R454-D798 VanDerWaalsContact NH1-C 3.35Å; R454-D798 PolarHBondContact NH1-O 2.79Å; R454-P886 VanDerWaalsContact CD-CB 3.42Å; R454-P886 VanDerWaalsContact CD-CG 3.41Å; R454-P886 VanDerWaalsContact CZ-CG 3.45Å; R454-P886 VanDerWaalsContact NH1-CG 3.31Å; R454-F887 HydrophobicContact CB-CE2 4.04Å; R454-F887 HydrophobicContact CB-CZ 4.25Å
455V89.5Confident85.4Confident1 Ų121.3 Ų21.31%0.00612%0.115CC..Hα-helixtrans-53.6-51.1176.4179.50000112.7S438 L439 L442 P452 F457 A458 F887 G904 T907S438-V455 WeakPolarHBondContact OG-CG1 3.38Å; L439-V455 HydrophobicContact CD2-CG2 4.18Å; L442-V455 HydrophobicContact CD1-CG2 4.3Å; P452-V455 WeakPolarHBondContact O-CB 3.33Å; P452-V455 VanDerWaalsContact O-CG2 3.29Å; P452-V455 WeakPolarHBondContact O-CG2 3.35Å; P452-V455 PolarHBondContact O-N 2.86Å; P452-V455 VanDerWaalsContact O-N 3.1Å; V455-F457 PolarHBondContact O-N 3.42Å; V455-A458 VanDerWaalsContact O-CB 3.27Å; V455-A458 WeakPolarHBondContact O-CB 3.49Å; V455-A458 PolarHBondContact O-N 3.24Å; V455-F887 HydrophobicContact CB-CZ 4.47Å; V455-F887 HydrophobicContact CG2-CE1 3.8Å; V455-F887 HydrophobicContact CG2-CZ 3.81Å; V455-G904 WeakPolarHBondContact O-CA 3.47Å; V455-T907 HydrophobicContact CG1-CG2 4.35Å
456P88.1Confident85.7Confident19 Ų1918.3 Ų18.312%0.12310%0.1CC..Hα-helixtrans-62.6-26.6178.423.5-35.2000113.7F453 A458 G459F453-P456 WeakPolarHBondContact O-CD 3.18Å; F453-P456 VanDerWaalsContact O-CG 3.31Å; F453-P456 WeakPolarHBondContact O-CG 3.42Å; P456-A458 VanDerWaalsContact C-N 3.28Å; P456-A458 PolarHBondContact O-N 3.08Å; P456-G459 PolarHBondContact O-N 3.17Å; P456-G459 VanDerWaalsContact O-N 3.08Å
457F88.2Confident86.1Confident41 Ų4118.3 Ų18.318%0.1810%0.098CC..Hα-helixtrans-67.9-28.6174.2-67.9-90.6000112.3I373 F453 R454 V455 G459 K460 V461 V799I373-F457 HydrophobicContact CB-CE2 4.41Å; I373-F457 HydrophobicContact CD1-CD2 4.32Å; I373-F457 HydrophobicContact CD1-CE2 3.95Å; I373-F457 HydrophobicContact CD1-CZ 4.31Å; I373-F457 HydrophobicContact CG2-CE2 3.55Å; I373-F457 HydrophobicContact CG2-CZ 3.71Å; F453-F457 VanDerWaalsContact O-CD2 3.24Å; F453-F457 WeakPolarHBondContact O-CD2 3.44Å; F453-F457 WeakPolarHBondContact O-CE2 3.48Å; R454-F457 WeakPolarHBondContact O-CB 3.3Å; R454-F457 PolarHBondContact O-N 2.93Å; R454-F457 VanDerWaalsContact O-N 3.08Å; V455-F457 PolarHBondContact O-N 3.42Å; F457-G459 PolarHBondContact O-N 3.41Å; F457-K460 WeakPolarHBondContact O-CA 3.42Å; F457-K460 PolarHBondContact O-N 3.24Å; F457-V461 PolarHBondContact O-N 3.46Å; F457-V799 HydrophobicContact CB-CG2 4.16Å
458A90.3Very high86.1Confident0 Ų018.3 Ų18.30%010%0.098CC..Hα-helixtrans-61.1-23.4170.900000113.1R454 V455 P456 K460 V799 V900R454-A458 PolarHBondContact O-N 3.08Å; V455-A458 VanDerWaalsContact O-CB 3.27Å; V455-A458 WeakPolarHBondContact O-CB 3.49Å; V455-A458 PolarHBondContact O-N 3.24Å; P456-A458 VanDerWaalsContact C-N 3.28Å; P456-A458 PolarHBondContact O-N 3.08Å; A458-K460 VanDerWaalsContact C-N 3.32Å; A458-V799 HydrophobicContact CB-CG1 4.18Å; A458-V799 HydrophobicContact CB-CG2 3.9Å; A458-V900 HydrophobicContact CB-CG1 3.61Å
459G87.7Confident86Confident7 Ų719.3 Ų19.37%0.07211%0.106CC..THydrogen-bonded Turntrans-72.8-22.117000000114.5P456 F457 G904 P972P456-G459 PolarHBondContact O-N 3.17Å; P456-G459 VanDerWaalsContact O-N 3.08Å; F457-G459 PolarHBondContact O-N 3.41Å; G459-G904 VanDerWaalsContact CA-C 3.48Å; G459-P972 WeakPolarHBondContact O-CG 3.1Å
460K87.6Confident86Confident40 Ų4018.2 Ų18.217%0.17410%0.099CC..SBendtrans-100.9-1.2-175.1-54-170.5-170.5-1640114.2F457 A458 D462 V780 L908 P974F457-K460 WeakPolarHBondContact O-CA 3.42Å; F457-K460 PolarHBondContact O-N 3.24Å; A458-K460 VanDerWaalsContact C-N 3.32Å; K460-D462 PolarHBondContact O-N 3.22Å; K460-V780 HydrophobicContact CB-CB 4.48Å; K460-V780 HydrophobicContact CB-CG1 4.27Å; K460-V780 HydrophobicContact CB-CG2 4.09Å; K460-V780 WeakPolarHBondContact O-CB 3.49Å; K460-L908 HydrophobicContact CG-CD1 4.45Å; K460-L908 HydrophobicContact CG-CD2 3.59Å; K460-P974 HydrophobicContact CD-CB 4.43Å; K460-P974 WeakPolarHBondContact CE-O 3.21Å; K460-P974 PolarHBondContact NZ-O 2.79Å
461V89.8Confident86.6Confident2 Ų215.5 Ų15.51%0.0128%0.082CC..  trans-56.6127.9-174171.40000112.3F457 H666 V780 L782 V799F457-V461 PolarHBondContact O-N 3.46Å; V461-H666 PolarHBondContact O-CE1 3.26Å; V461-H666 VanDerWaalsContact O-CE1 3.24Å; V461-H666 PolarHBondContact O-ND1 3.37Å; V461-V780 HydrophobicContact CG2-CG1 4.25Å; V461-L782 HydrophobicContact CB-CB 4.48Å; V461-L782 HydrophobicContact CG1-CB 3.61Å; V461-L782 HydrophobicContact CG2-CB 3.97Å; V461-L782 HydrophobicContact CG2-CD1 4.29Å; V461-V799 HydrophobicContact CG2-CB 4.36Å; V461-V799 HydrophobicContact CG2-CG2 3.97Å
462D87.2Confident87.3Confident35 Ų3514.2 Ų14.219%0.1878%0.076CC..  trans-97.4-46.3178.4-72.4-56.6000113K460 K667 I779 V780 R971K460-D462 PolarHBondContact O-N 3.22Å; D462-K667 PolarHBondContact O-N 2.75Å; D462-I779 HydrophobicContact CB-CG2 3.67Å; D462-V780 PolarHBondContact N-O 3.39Å; D462-V780 PolarHBondContact OD2-N 3.08Å; D462-V780 VanDerWaalsContact OD2-N 3.11Å; D462-R971 IonicContact OD1-CZ 2.93Å; D462-R971 IonicContact OD1-NH1 2.64Å; D462-R971 PolarHBondContact OD1-NH1 2.76Å
463I90Very high87.6Confident4 Ų412.6 Ų12.62%0.0217%0.066CC..EExtended strand (participates in β ladder)trans-125.8135-174.7-62.7-175.6000109.1V668 L774 I779 V780 L782I463-V668 HydrophobicContact CD1-CB 4.46Å; I463-V668 HydrophobicContact CG1-CB 4.32Å; I463-V668 HydrophobicContact CG2-CB 4.33Å; I463-L774 HydrophobicContact CD1-CD2 4.08Å; I463-I779 HydrophobicContact CB-CG2 4.32Å; I463-I779 HydrophobicContact CD1-CD1 4.3Å; I463-I779 HydrophobicContact CD1-CG2 3.75Å; I463-I779 HydrophobicContact CG1-CG2 3.81Å; I463-V780 PolarHBondContact N-O 3.17Å; I463-L782 PolarHBondContact O-N 2.97Å
464C91.9Very high87.6Confident0 Ų011.6 Ų11.60%06%0.064CC..EExtended strand (participates in β ladder)trans-109.6116.5173.5-62.40000109.5F466 I661 V668 V669 S670 L782C464-F466 HydrophobicContact CB-CD2 4.41Å; C464-F466 HydrophobicContact CB-CE2 3.65Å; C464-F466 HydrophobicContact CB-CZ 4.33Å; C464-I661 HydrophobicContact CB-CG2 4.46Å; C464-V668 PolarHBondContact N-O 3.29Å; C464-V668 VanDerWaalsContact N-O 3.14Å; C464-V669 CarbonylContact O-C 3.51Å; C464-V669 WeakPolarHBondContact O-CA 3.4Å; C464-S670 PolarHBondContact O-N 2.67Å; C464-L782 CarbonylContact C-O 3.55Å; C464-L782 WeakPolarHBondContact CA-O 3.48Å; C464-L782 HydrophobicContact CB-CD2 4.43Å
465C93Very high86.9Confident0 Ų014.6 Ų14.60%08%0.08CC..EExtended strand (participates in β ladder)trans-98.1135.2174.3-60.40000109.7S670 I672 I771 L782 M783 C784C465-S670 CarbonylContact C-O 2.94Å; C465-S670 VanDerWaalsContact CA-O 3.26Å; C465-S670 WeakPolarHBondContact CA-O 3.36Å; C465-I672 HydrophobicContact CB-CD1 3.79Å; C465-I672 HydrophobicContact CB-CG1 4.33Å; C465-I771 HydrophobicContact CB-CD1 4.2Å; C465-L782 PolarHBondContact N-O 3.11Å; C465-M783 HydrophobicContact CB-SD 3.55Å; C465-M783 VanDerWaalsContact CB-SD 3.55Å; C465-M783 CarbonylContact O-C 3.56Å; C465-M783 WeakPolarHBondContact O-CA 3.45Å; C465-C784 PolarHBondContact O-N 3.04Å
466F92.3Very high86.3Confident0 Ų020.5 Ų20.50%011%0.112CC..EExtended strand (participates in β ladder)trans-125.1135.5179.9-68.4-96.5000110.1C464 T471 L472 I661 V669 S670 I671 I672 C784 I894 I897C464-F466 HydrophobicContact CB-CD2 4.41Å; C464-F466 HydrophobicContact CB-CE2 3.65Å; C464-F466 HydrophobicContact CB-CZ 4.33Å; F466-T471 HydrophobicContact CD1-CG2 4.38Å; F466-L472 HydrophobicContact CB-CD1 3.88Å; F466-L472 HydrophobicContact CB-CD2 4.31Å; F466-L472 HydrophobicContact CB-CG 4.13Å; F466-L472 HydrophobicContact CD1-CD2 3.9Å; F466-L472 HydrophobicContact CD1-CG 4.49Å; F466-L472 HydrophobicContact CE1-CD2 4.46Å; F466-L472 HydrophobicContact CG-CD2 4.24Å; F466-I661 HydrophobicContact CZ-CD1 3.81Å; F466-V669 HydrophobicContact CD2-CG1 3.64Å; F466-V669 HydrophobicContact CE2-CG1 3.62Å; F466-S670 PolarHBondContact N-O 3.23Å; F466-I671 CarbonylContact O-C 3.49Å; F466-I671 VanDerWaalsContact O-CA 3.31Å; F466-I671 WeakPolarHBondContact O-CA 3.36Å; F466-I672 PolarHBondContact O-N 3.45Å; F466-C784 WeakPolarHBondContact CA-O 3.43Å; F466-C784 HydrophobicContact CD1-CB 4.09Å; F466-C784 HydrophobicContact CE1-CB 4.35Å; F466-I894 HydrophobicContact CD1-CG2 4.43Å; F466-I894 HydrophobicContact CE1-CB 4.34Å; F466-I894 HydrophobicContact CE1-CD1 4.12Å; F466-I894 HydrophobicContact CE1-CG2 4.26Å; F466-I897 HydrophobicContact CD1-CD1 4.05Å; F466-I897 HydrophobicContact CE1-CD1 3.13Å; F466-I897 HydrophobicContact CZ-CD1 3.59Å
467D90.3Very high86Confident6 Ų620.7 Ų20.73%0.03211%0.112CC..  trans-72156.9158.3-169.442.9000110.5T471 L472 K767 M783 C784 D790D467-T471 WeakPolarHBondContact O-CB 3.32Å; D467-T471 WeakPolarHBondContact O-CG2 3.47Å; D467-L472 WeakPolarHBondContact O-CG 3.48Å; D467-K767 VanDerWaalsContact CG-NZ 3.34Å; D467-K767 IonicContact OD1-NZ 2.68Å; D467-K767 PolarHBondContact OD1-NZ 3.48Å; D467-K767 IonicContact OD2-NZ 2.57Å; D467-M783 HydrophobicContact CB-CE 4.15Å; D467-C784 PolarHBondContact N-O 2.85Å; D467-D790 WeakPolarHBondContact CB-OD2 3.37Å
468K86.7Confident85.8Confident3 Ų322.4 Ų22.41%0.01313%0.125CC..Iπ-helixtrans-87.3-65-179.2178-171.9158.2-164.70111T471 L472 T473 I671 T673 D675 T679 V683K468-T471 PolarHBondContact O-N 3.25Å; K468-L472 PolarHBondContact O-N 3.49Å; K468-T473 HydrophobicContact CG-CG2 4.16Å; K468-T473 PolarHBondContact O-N 3.1Å; K468-T473 PolarHBondContact O-OG1 2.89Å; K468-I671 HydrophobicContact CB-CG2 4.2Å; K468-T673 HydrophobicContact CB-CG2 4.44Å; K468-D675 HydrophobicContact CD-CB 4.43Å; K468-D675 VanDerWaalsContact CD-OD2 3.29Å; K468-D675 WeakPolarHBondContact CD-OD2 3.09Å; K468-D675 WeakPolarHBondContact CE-OD2 3.27Å; K468-D675 IonicContact NZ-OD2 3.49Å; K468-D675 PolarHBondContact NZ-OD2 3.38Å; K468-T679 PolarHBondContact NZ-OG1 2.99Å; K468-V683 HydrophobicContact CD-CG2 4.17Å; K468-V683 HydrophobicContact CG-CG2 4.48Å
469T80.1Confident85.6Confident46 Ų4623.6 Ų23.628%0.28213%0.133SC..Iπ-helixtrans-67.1136.9-172.3-51.40000109.8T471T469-T471 PolarHBondContact O-N 3.5Å; T469-T471 PolarHBondContact O-OG1 3.46Å
470G78.1Confident85.5Confident2 Ų226.9 Ų26.92%0.02115%0.152CC..Iπ-helixtrans62.8-7.9-177.600000116.8T473 D475 K651G470-T473 CarbonylContact C-O 3.58Å; G470-T473 PolarHBondContact N-O 3.26Å; G470-D475 WeakPolarHBondContact CA-OD1 3.35Å; G470-D475 PolarHBondContact N-OD1 3.24Å; G470-K651 PolarHBondContact O-NZ 2.68Å
471T85.9Confident85.5Confident0 Ų025 Ų250%014%0.144CC..Iπ-helixtrans-109.2-66.1-176.7-60.20000110.7F466 D467 K468 T469 K651 G785 D786 L803 I894F466-T471 HydrophobicContact CD1-CG2 4.38Å; D467-T471 WeakPolarHBondContact O-CB 3.32Å; D467-T471 WeakPolarHBondContact O-CG2 3.47Å; K468-T471 PolarHBondContact O-N 3.25Å; T469-T471 PolarHBondContact O-N 3.5Å; T469-T471 PolarHBondContact O-OG1 3.46Å; T471-K651 WeakPolarHBondContact O-CD 3.45Å; T471-K651 WeakPolarHBondContact O-CE 3.45Å; T471-K651 PolarHBondContact O-NZ 3.23Å; T471-G785 WeakPolarHBondContact OG1-CA 3.45Å; T471-D786 PolarHBondContact OG1-N 3.06Å; T471-L803 HydrophobicContact CG2-CD1 3.94Å; T471-I894 HydrophobicContact CG2-CG2 4.15Å
472L88.3Confident85.4Confident2 Ų224.9 Ų24.91%0.0114%0.143CC..Iπ-helixtrans-88.8-37.1176.4-65.5172.8000112.2F466 D467 K468 K651 S654 I671 V683 L687 I894F466-L472 HydrophobicContact CB-CD1 3.88Å; F466-L472 HydrophobicContact CB-CD2 4.31Å; F466-L472 HydrophobicContact CB-CG 4.13Å; F466-L472 HydrophobicContact CD1-CD2 3.9Å; F466-L472 HydrophobicContact CD1-CG 4.49Å; F466-L472 HydrophobicContact CE1-CD2 4.46Å; F466-L472 HydrophobicContact CG-CD2 4.24Å; D467-L472 WeakPolarHBondContact O-CG 3.48Å; K468-L472 PolarHBondContact O-N 3.49Å; L472-K651 PolarHBondContact O-N 3.01Å; L472-S654 PolarHBondContact O-OG 2.98Å; L472-S654 VanDerWaalsContact O-OG 3.11Å; L472-I671 HydrophobicContact CD1-CD1 4.08Å; L472-I671 HydrophobicContact CD1-CG1 3.98Å; L472-V683 HydrophobicContact CD1-CG1 4.41Å; L472-L687 HydrophobicContact CB-CD1 4.26Å; L472-L687 HydrophobicContact CD1-CD1 3.8Å; L472-L687 HydrophobicContact CD2-CD1 3.98Å; L472-L687 HydrophobicContact CG-CD1 4.24Å; L472-I894 HydrophobicContact CD2-CD1 3.99Å
473T85.3Confident85.3Confident0 Ų024.4 Ų24.40%014%0.14CC..BIsolated β-bridgetrans-98.3158.4174.860.50000110.6K468 G470 C648 P649 L650 K651 V683K468-T473 HydrophobicContact CG-CG2 4.16Å; K468-T473 PolarHBondContact O-N 3.1Å; K468-T473 PolarHBondContact O-OG1 2.89Å; G470-T473 CarbonylContact C-O 3.58Å; G470-T473 PolarHBondContact N-O 3.26Å; T473-C648 HydrophobicContact CG2-CB 4.11Å; T473-P649 WeakPolarHBondContact CA-O 3.26Å; T473-P649 WeakPolarHBondContact CB-O 3.43Å; T473-L650 HydrophobicContact CG2-CD2 3.98Å; T473-K651 VanDerWaalsContact O-CE 3.25Å; T473-K651 WeakPolarHBondContact O-CE 3.38Å; T473-V683 HydrophobicContact CG2-CG2 4.46Å
474T82.1Confident84.7Confident35 Ų3526.1 Ų26.122%0.21515%0.152CC..  trans-69.7153.9170.960.10000111.2N476 P649 K651T474-N476 PolarHBondContact O-N 3.42Å; T474-N476 PolarHBondContact OG1-O 3.03Å; T474-P649 PolarHBondContact N-O 3.33Å; T474-P649 WeakPolarHBondContact OG1-CG 3.46Å; T474-P649 PolarHBondContact OG1-O 3.18Å; T474-K651 HydrophobicContact CG2-CG 3.92Å
475D73.1Confident84Confident63 Ų6333.3 Ų33.334%0.33719%0.191SC..SBendtrans-70.8-21.1170.3-64-41.3000112.8G470 L477G470-D475 WeakPolarHBondContact CA-OD1 3.35Å; G470-D475 PolarHBondContact N-OD1 3.24Å; D475-L477 PolarHBondContact O-N 3.14Å
476N76.3Confident83.4Confident125 Ų12540.7 Ų40.767%0.66823%0.225SC*.  trans-75113.4177.8-66.1-24.4000110T474T474-N476 PolarHBondContact O-N 3.42Å; T474-N476 PolarHBondContact OG1-O 3.03Å
477L81.5Confident82.9Confident24 Ų2444.8 Ų44.813%0.12625%0.246CC..  trans-80.9136.7171.1-65.4174.2000109.8D475 P518 L519 A522 I646 C648D475-L477 PolarHBondContact O-N 3.14Å; L477-P518 HydrophobicContact CD1-CB 4.13Å; L477-L519 HydrophobicContact CD1-CB 3.62Å; L477-L519 HydrophobicContact CD1-CG 4.34Å; L477-A522 HydrophobicContact CB-CB 4.29Å; L477-A522 VanDerWaalsContact O-CB 3.3Å; L477-A522 WeakPolarHBondContact O-CB 3.19Å; L477-I646 HydrophobicContact CB-CG2 3.98Å; L477-I646 HydrophobicContact CD2-CG2 4.07Å; L477-I646 HydrophobicContact CG-CG2 4.43Å; L477-C648 HydrophobicContact CD2-CB 4.36Å; L477-C648 WeakPolarHBondContact CD2-SG 3.41Å
478V84.7Confident82.8Confident76 Ų7646.3 Ų46.346%0.46126%0.256SS..EExtended strand (participates in β ladder)trans-114.1120.1175.6-178.20000108.4V480 I646 S647 P649V478-V480 PolarHBondContact O-N 3.02Å; V478-I646 WeakPolarHBondContact O-CA 3.26Å; V478-S647 PolarHBondContact N-O 3.07Å; V478-S647 PolarHBondContact O-N 3.04Å; V478-P649 HydrophobicContact CG2-CG 4.4Å
479C85.5Confident82.7Confident25 Ų2549 Ų4917%0.16927%0.273CS..EExtended strand (participates in β ladder)trans-74.1114.2169.5-171.50000108.2
480V84.9Confident82.9Confident77 Ų7747.1 Ų47.147%0.46726%0.261SS..EExtended strand (participates in β ladder)trans-76.3-42.5-179179.30000109.9V478 I645V478-V480 PolarHBondContact O-N 3.02Å; V480-I645 HydrophobicContact CB-CB 4.26Å; V480-I645 HydrophobicContact CB-CG2 4.01Å; V480-I645 HydrophobicContact CG2-CG2 4.26Å; V480-I645 PolarHBondContact N-O 3.28Å
481G88.7Confident83Confident0 Ų052.5 Ų52.50%029%0.286CS..EExtended strand (participates in β ladder)trans165.3-172.1-17800000112.8V488 I645G481-V488 CarbonylContact C-O 3.45Å; G481-V488 VanDerWaalsContact CA-O 3.24Å; G481-V488 WeakPolarHBondContact CA-O 3.33Å; G481-I645 PolarHBondContact O-N 3.11Å
482V87.9Confident82.8Confident0 Ų059.6 Ų59.60%032%0.319CS..EExtended strand (participates in β ladder)trans-116.3136.2173.5-178.50000108.8V488 L490 A493 L501 L617 F643V482-V488 PolarHBondContact N-O 3.48Å; V482-V488 VanDerWaalsContact O-CG2 3.3Å; V482-V488 WeakPolarHBondContact O-CG2 3.31Å; V482-V488 PolarHBondContact O-N 3.06Å; V482-L490 HydrophobicContact CG2-CD1 3.68Å; V482-A493 HydrophobicContact CB-CB 4.04Å; V482-A493 HydrophobicContact CG2-CB 4.1Å; V482-L501 HydrophobicContact CG2-CD1 3.63Å; V482-L617 HydrophobicContact CG1-CD1 4.17Å; V482-L617 HydrophobicContact CG2-CD1 4.46Å; V482-F643 CarbonylContact C-O 3.47Å; V482-F643 VanDerWaalsContact CA-O 3.26Å; V482-F643 WeakPolarHBondContact CA-O 3.32Å
483H85.7Confident82.7Confident25 Ų2559.9 Ų59.912%0.11632%0.322CS..EExtended strand (participates in β ladder)trans-108.2119.6174.7-178.588.3000110.2D485 I487 V603 M607 G642 F643 I645H483-D485 PolarHBondContact CE1-O 3.48Å; H483-I487 HydrophobicContact CB-CG1 4.28Å; H483-V603 VanDerWaalsContact NE2-CG1 3.34Å; H483-V603 WeakPolarHBondContact NE2-CG1 3.24Å; H483-M607 HydrophobicContact CB-CE 3.69Å; H483-M607 HydrophobicContact CB-SD 4.35Å; H483-M607 VanDerWaalsContact CD2-CE 3.47Å; H483-M607 WeakPolarHBondContact CD2-CE 3.26Å; H483-M607 WeakPolarHBondContact ND1-CE 3.41Å; H483-G642 CarbonylContact O-C 3.6Å; H483-G642 VanDerWaalsContact O-CA 3.24Å; H483-G642 WeakPolarHBondContact O-CA 2.88Å; H483-F643 HydrophobicContact CB-CB 4.36Å; H483-F643 PolarHBondContact N-O 2.73Å; H483-F643 PolarHBondContact O-N 3.45Å; H483-I645 HydrophobicContact CB-CD1 4.16Å
484S77.1Confident82.8Confident39 Ų3962.2 Ų62.227%0.27334%0.337SS..SBendtrans-112.1-56.7168-61.10000109.6V641S484-V641 PolarHBondContact OG-O 2.85Å; S484-V641 VanDerWaalsContact OG-O 3.06Å
485D76.7Confident82.9Confident152 Ų15265.7 Ų65.781%0.81335%0.351SS*.SBendtrans-122.6-39.6167.3-67.7-40.1000111.4H483H483-D485 PolarHBondContact CE1-O 3.48Å
486E80.1Confident83.6Confident154 Ų15467 Ų6772%0.7236%0.355SS*.SBendtrans-123.2158.5171.3-67-173.817400110V488E486-V488 PolarHBondContact O-N 3.24Å
487I82.1Confident84.3Confident86 Ų8661 Ų6144%0.44132%0.323SS..EExtended strand (participates in β ladder)trans-76.1106.2175.8-57.5174.3000108.1H483 I645H483-I487 HydrophobicContact CB-CG1 4.28Å; I487-I645 HydrophobicContact CD1-CD1 3.73Å; I487-I645 HydrophobicContact CG1-CD1 3.81Å; I487-I645 HydrophobicContact CG2-CD1 4.11Å
488V88Confident84.6Confident39 Ų3960.4 Ų60.424%0.23632%0.32CS..EExtended strand (participates in β ladder)trans-104.3144.3176.4-690000111.2G481 V482 E486 A493G481-V488 CarbonylContact C-O 3.45Å; G481-V488 VanDerWaalsContact CA-O 3.24Å; G481-V488 WeakPolarHBondContact CA-O 3.33Å; V482-V488 PolarHBondContact N-O 3.48Å; V482-V488 VanDerWaalsContact O-CG2 3.3Å; V482-V488 WeakPolarHBondContact O-CG2 3.31Å; V482-V488 PolarHBondContact O-N 3.06Å; E486-V488 PolarHBondContact O-N 3.24Å; V488-A493 HydrophobicContact CG2-CB 4.28Å
489P85.6Confident84.9Confident59 Ų5960 Ų6038%0.38331%0.31SS..  trans-55.4149.8169-22.833.5000111.1Q491 E492 A493P489-Q491 VanDerWaalsContact CB-OE1 3.22Å; P489-Q491 PolarHBondContact O-N 2.94Å; P489-E492 PolarHBondContact O-N 3.35Å; P489-A493 PolarHBondContact O-N 2.98Å
490L82.5Confident85.1Confident7 Ų758.8 Ų58.84%0.03730%0.302CS..THydrogen-bonded Turntrans-60.4-19.4-174.4-173.253.9000113.7V482 A493 L501 C523V482-L490 HydrophobicContact CG2-CD1 3.68Å; L490-A493 HydrophobicContact CD1-CB 4.43Å; L490-L501 HydrophobicContact CD1-CD1 3.31Å; L490-C523 VanDerWaalsContact CD2-O 3.28Å; L490-C523 WeakPolarHBondContact CD2-O 3.37Å
491Q81Confident85.3Confident115 Ų11555.5 Ų55.554%0.53728%0.282SS..THydrogen-bonded Turntrans-75.9-27.1176.6-57.379.115.600113.2P489 G526P489-Q491 VanDerWaalsContact CB-OE1 3.22Å; P489-Q491 PolarHBondContact O-N 2.94Å; Q491-G526 PolarHBondContact NE2-O 2.9Å
492E82.6Confident85.4Confident148 Ų14855.5 Ų55.569%0.69228%0.282SS*.THydrogen-bonded Turntrans-105.62.9-177.5-64.2179.2-176.300112.1P489P489-E492 PolarHBondContact O-N 3.35Å
493A85.3Confident85.5Confident9 Ų955.5 Ų55.57%0.07428%0.282CS..SBendtrans-64.5154179.700000112.5V482 V488 P489 L490 I498V482-A493 HydrophobicContact CB-CB 4.04Å; V482-A493 HydrophobicContact CG2-CB 4.1Å; V488-A493 HydrophobicContact CG2-CB 4.28Å; P489-A493 PolarHBondContact O-N 2.98Å; L490-A493 HydrophobicContact CD1-CB 4.43Å; A493-I498 HydrophobicContact CB-CD1 4.33Å; A493-I498 HydrophobicContact CB-CG1 3.99Å; A493-I498 WeakPolarHBondContact O-CD1 3.34Å
494P87.2Confident85.7Confident49 Ų4954.3 Ų54.332%0.31828%0.276SS..  trans-52.7146.3174.5-26.434.5000112.5E496 S497 I498P494-E496 PolarHBondContact O-N 2.95Å; P494-S497 WeakPolarHBondContact O-CB 3.26Å; P494-S497 PolarHBondContact O-N 3.1Å; P494-I498 PolarHBondContact O-N 3.49Å
495Q85.1Confident86.3Confident107 Ų10752.6 Ų52.650%0.526%0.264SS..Hα-helixtrans-61-36.4-174.9-65.3-169.56.400112I498 R499Q495-I498 PolarHBondContact O-N 3.08Å; Q495-R499 VanDerWaalsContact O-CG 3.27Å; Q495-R499 WeakPolarHBondContact O-CG 3.32Å; Q495-R499 PolarHBondContact O-N 3.1Å
496E88Confident86.5Confident90 Ų9046.4 Ų46.442%0.42123%0.233SC..Hα-helixtrans-63-43.7176.4-64.172.5-159.600110.5P494 R499 V500 V641P494-E496 PolarHBondContact O-N 2.95Å; E496-R499 PolarHBondContact O-N 3.48Å; E496-V500 WeakPolarHBondContact O-CG2 3.26Å; E496-V500 PolarHBondContact O-N 3.41Å; E496-V641 VanDerWaalsContact C-CG1 3.49Å; E496-V641 HydrophobicContact CB-CG1 3.37Å; E496-V641 HydrophobicContact CB-CG2 4.44Å
497S89.6Confident86.7Confident0 Ų039.1 Ų39.10%020%0.198CC..Hα-helixtrans-62.5-45.1177.2-84.90000111.3P494 V500 L501 V641P494-S497 WeakPolarHBondContact O-CB 3.26Å; P494-S497 PolarHBondContact O-N 3.1Å; S497-V500 PolarHBondContact O-N 2.92Å; S497-L501 WeakPolarHBondContact O-CG 3.34Å; S497-L501 PolarHBondContact O-N 3.42Å; S497-V641 WeakPolarHBondContact OG-CG1 3.46Å; S497-V641 PolarHBondContact OG-O 2.88Å
498I89Confident86.7Confident12 Ų1235.5 Ų35.56%0.06218%0.18CC..Hα-helixtrans-63-45177.3-63.9173.2000110.2A493 P494 Q495 V500 L501 V502 W529A493-I498 HydrophobicContact CB-CD1 4.33Å; A493-I498 HydrophobicContact CB-CG1 3.99Å; A493-I498 WeakPolarHBondContact O-CD1 3.34Å; P494-I498 PolarHBondContact O-N 3.49Å; Q495-I498 PolarHBondContact O-N 3.08Å; I498-V500 VanDerWaalsContact C-N 3.32Å; I498-V500 PolarHBondContact O-N 3.42Å; I498-L501 PolarHBondContact O-N 3.42Å; I498-V502 HydrophobicContact CG2-CG2 3.86Å; I498-V502 VanDerWaalsContact O-CB 3.28Å; I498-V502 WeakPolarHBondContact O-CB 2.95Å; I498-V502 VanDerWaalsContact O-CG2 3.23Å; I498-V502 WeakPolarHBondContact O-CG2 3.41Å; I498-V502 PolarHBondContact O-N 3.33Å; I498-W529 HydrophobicContact CG2-CZ2 4.23Å
499R89.8Confident86.3Confident67 Ų6736 Ų3625%0.25318%0.18SC..Hα-helixtrans-57.1-44.9177.2-75.5173.7-166.3172.48.3111.5Q495 E496 T503 L547 Y568 F579Q495-R499 VanDerWaalsContact O-CG 3.27Å; Q495-R499 WeakPolarHBondContact O-CG 3.32Å; Q495-R499 PolarHBondContact O-N 3.1Å; E496-R499 PolarHBondContact O-N 3.48Å; R499-T503 WeakPolarHBondContact O-CB 3.39Å; R499-T503 WeakPolarHBondContact O-CG2 3.08Å; R499-T503 PolarHBondContact O-N 2.9Å; R499-T503 VanDerWaalsContact O-N 3.12Å; R499-T503 PolarHBondContact O-OG1 3.13Å; R499-L547 HydrophobicContact CB-CD1 4.43Å; R499-L547 HydrophobicContact CG-CD1 4.1Å; R499-Y568 PolarHBondContact NH1-OH 3.33Å; R499-F579 HydrophobicContact CB-CE2 4.1Å; R499-F579 HydrophobicContact CB-CZ 4.14Å
500V90.5Very high85.6Confident0 Ų034.4 Ų34.40%017%0.168CC..Hα-helixtrans-63-48.9176.8175.60000110.8E496 S497 I498 V502 T503 C504 A581 L617 V618E496-V500 WeakPolarHBondContact O-CG2 3.26Å; E496-V500 PolarHBondContact O-N 3.41Å; S497-V500 PolarHBondContact O-N 2.92Å; I498-V500 VanDerWaalsContact C-N 3.32Å; I498-V500 PolarHBondContact O-N 3.42Å; V500-V502 PolarHBondContact O-N 2.92Å; V500-T503 PolarHBondContact O-N 3.46Å; V500-C504 HydrophobicContact CG1-CB 4.28Å; V500-C504 WeakPolarHBondContact O-CA 3.42Å; V500-C504 WeakPolarHBondContact O-CB 3.43Å; V500-C504 PolarHBondContact O-N 2.96Å; V500-A581 HydrophobicContact CB-CB 4.25Å; V500-A581 HydrophobicContact CG1-CB 4.14Å; V500-A581 HydrophobicContact CG2-CB 4.07Å; V500-L617 HydrophobicContact CG1-CB 4.09Å; V500-L617 HydrophobicContact CG1-CD2 4.01Å; V500-V618 WeakPolarHBondContact CG2-O 3.46Å
501L89.5Confident84.9Confident8 Ų841.6 Ų41.64%0.04220%0.201CC..Hα-helixtrans-64.8-39.9-176.6-77.1171.3000113.8V482 L490 S497 I498 C523 L617 V644V482-L501 HydrophobicContact CG2-CD1 3.63Å; L490-L501 HydrophobicContact CD1-CD1 3.31Å; S497-L501 WeakPolarHBondContact O-CG 3.34Å; S497-L501 PolarHBondContact O-N 3.42Å; I498-L501 PolarHBondContact O-N 3.42Å; L501-C523 HydrophobicContact CD2-CB 4.37Å; L501-L617 HydrophobicContact CD1-CD1 3.82Å; L501-L617 HydrophobicContact CD2-CD1 3.98Å; L501-L617 HydrophobicContact CD2-CD2 3.58Å; L501-L617 HydrophobicContact CD2-CG 4.41Å; L501-L617 HydrophobicContact CG-CD1 3.66Å; L501-L617 HydrophobicContact CG-CD2 4Å; L501-L617 HydrophobicContact CG-CG 4.49Å; L501-V644 HydrophobicContact CD1-CG2 4.37Å; L501-V644 HydrophobicContact CD2-CB 4.03Å; L501-V644 HydrophobicContact CD2-CG1 4.06Å; L501-V644 HydrophobicContact CD2-CG2 4.04Å
502V89.9Confident84.3Confident0 Ų042.1 Ų42.10%021%0.213CC..Hα-helixtrans-78.6-27.2-176.4173.10000112I498 V500 H505 L524 W529 V537I498-V502 HydrophobicContact CG2-CG2 3.86Å; I498-V502 VanDerWaalsContact O-CB 3.28Å; I498-V502 WeakPolarHBondContact O-CB 2.95Å; I498-V502 VanDerWaalsContact O-CG2 3.23Å; I498-V502 WeakPolarHBondContact O-CG2 3.41Å; I498-V502 PolarHBondContact O-N 3.33Å; V500-V502 PolarHBondContact O-N 2.92Å; V502-H505 PolarHBondContact O-CD2 3.05Å; V502-H505 PolarHBondContact O-NE2 3.41Å; V502-H505 VanDerWaalsContact O-NE2 3.13Å; V502-L524 HydrophobicContact CG1-CD1 4.17Å; V502-W529 HydrophobicContact CB-CD2 4.37Å; V502-W529 HydrophobicContact CB-CG 4.43Å; V502-W529 HydrophobicContact CG1-CB 3.86Å; V502-W529 HydrophobicContact CG1-CD2 3.52Å; V502-W529 HydrophobicContact CG1-CE3 3.5Å; V502-W529 VanDerWaalsContact CG1-CE3 3.5Å; V502-W529 HydrophobicContact CG1-CG 3.71Å; V502-W529 HydrophobicContact CG1-CZ3 4.1Å; V502-W529 HydrophobicContact CG2-CB 4.19Å; V502-W529 HydrophobicContact CG2-CD2 4.01Å; V502-W529 HydrophobicContact CG2-CG 3.74Å; V502-V537 HydrophobicContact CG1-CB 3.79Å; V502-V537 HydrophobicContact CG1-CG1 3.33Å; V502-V537 HydrophobicContact CG1-CG2 4.34Å
503T90Very high84Confident0 Ų041.5 Ų41.50%021%0.21CC..Hα-helixtrans-99.5-35.3179.959.20000113.6R499 V500 H505 L547 A566 F579R499-T503 WeakPolarHBondContact O-CB 3.39Å; R499-T503 WeakPolarHBondContact O-CG2 3.08Å; R499-T503 PolarHBondContact O-N 2.9Å; R499-T503 VanDerWaalsContact O-N 3.12Å; R499-T503 PolarHBondContact O-OG1 3.13Å; V500-T503 PolarHBondContact O-N 3.46Å; T503-H505 PolarHBondContact O-N 3.38Å; T503-L547 HydrophobicContact CG2-CB 3.77Å; T503-L547 HydrophobicContact CG2-CD1 3.51Å; T503-L547 HydrophobicContact CG2-CG 4.25Å; T503-A566 HydrophobicContact CG2-CB 3.91Å; T503-F579 HydrophobicContact CG2-CZ 3.94Å
504C90.4Very high83.8Confident0 Ų043.1 Ų43.10%022%0.217CC..SBendtrans-8066.1-177-158.20000110.6V500 M562 V564 A581 K583V500-C504 HydrophobicContact CG1-CB 4.28Å; V500-C504 WeakPolarHBondContact O-CA 3.42Å; V500-C504 WeakPolarHBondContact O-CB 3.43Å; V500-C504 PolarHBondContact O-N 2.96Å; C504-M562 VanDerWaalsContact C-CE 3.42Å; C504-M562 WeakPolarHBondContact O-CE 3.39Å; C504-V564 HydrophobicContact CB-CG2 4.46Å; C504-A581 HydrophobicContact CB-CB 3.98Å; C504-A581 PolarHBondContact SG-O 3.29Å; C504-K583 HydrophobicContact CB-CD 4.4Å; C504-K583 WeakPolarHBondContact O-CD 3.36Å; C504-K583 WeakPolarHBondContact O-CE 3.14Å; C504-K583 PolarHBondContact O-NZ 3.5Å
505H88.6Confident83.3Confident3 Ų341.5 Ų41.51%0.01421%0.206CC..  trans-138.4154.5177.168.251.8000112.2V502 T503 L507 E520V502-H505 PolarHBondContact O-CD2 3.05Å; V502-H505 PolarHBondContact O-NE2 3.41Å; V502-H505 VanDerWaalsContact O-NE2 3.13Å; T503-H505 PolarHBondContact O-N 3.38Å; H505-L507 HydrophobicContact CB-CB 4.48Å; H505-L507 HydrophobicContact CB-CD1 4.11Å; H505-L507 HydrophobicContact CB-CG 4.02Å; H505-L507 PolarHBondContact ND1-N 3.17Å; H505-E520 WeakPolarHBondContact CA-OE1 3.45Å; H505-E520 HydrophobicContact CB-CB 4.11Å; H505-E520 HydrophobicContact CB-CG 4.24Å
506S82.7Confident82.9Confident22 Ų2236.7 Ų36.715%0.15419%0.185CC..  trans-96.79.3171.9-58.90000112.9E520 H554S506-E520 WeakPolarHBondContact CA-OE2 3.49Å; S506-E520 VanDerWaalsContact N-CD 3.32Å; S506-E520 PolarHBondContact N-OE1 3.25Å; S506-E520 PolarHBondContact N-OE2 3.39Å; S506-H554 PolarHBondContact OG-ND1 3.33Å
507L84Confident82.4Confident0 Ų035.8 Ų35.80%018%0.183CC..  trans-58.2148.6178.5-59.7170.2000113H505 L514 I515 E520 K521 L524 L531 R552H505-L507 HydrophobicContact CB-CB 4.48Å; H505-L507 HydrophobicContact CB-CD1 4.11Å; H505-L507 HydrophobicContact CB-CG 4.02Å; H505-L507 PolarHBondContact ND1-N 3.17Å; L507-L514 HydrophobicContact CB-CD1 4Å; L507-L514 HydrophobicContact CD1-CD2 4.18Å; L507-L514 HydrophobicContact CD2-CG 4.44Å; L507-I515 CarbonylContact C-O 3.6Å; L507-I515 WeakPolarHBondContact CA-O 3.47Å; L507-E520 HydrophobicContact CD1-CB 3.95Å; L507-E520 HydrophobicContact CD2-CB 3.83Å; L507-E520 HydrophobicContact CG-CB 3.76Å; L507-E520 PolarHBondContact N-OE2 3.05Å; L507-K521 HydrophobicContact CD2-CG 3.52Å; L507-L524 HydrophobicContact CD1-CB 3.94Å; L507-L524 HydrophobicContact CD1-CD2 3.71Å; L507-L524 HydrophobicContact CD1-CG 4.4Å; L507-L531 HydrophobicContact CB-CD2 3.87Å; L507-L531 VanDerWaalsContact O-CD2 3.3Å; L507-L531 WeakPolarHBondContact O-CD2 3.46Å; L507-R552 PolarHBondContact O-NH1 2.96Å
508V80.5Confident81.7Confident10 Ų1037.8 Ų37.86%0.06120%0.196CC..EExtended strand (participates in β ladder)trans-135.5131.3178.9-172.50000109.4I294 M308 I327 I515I294-V508 HydrophobicContact CD1-CB 4.12Å; I294-V508 HydrophobicContact CD1-CG1 3.85Å; I294-V508 HydrophobicContact CD1-CG2 4.38Å; M308-V508 HydrophobicContact CB-CG2 4.13Å; M308-V508 HydrophobicContact CE-CB 4.44Å; M308-V508 HydrophobicContact CE-CG1 4.26Å; M308-V508 HydrophobicContact CE-CG2 3.32Å; M308-V508 HydrophobicContact CG-CG2 4.35Å; M308-V508 HydrophobicContact SD-CG2 3.86Å; I327-V508 HydrophobicContact CD1-CG1 3.44Å; I327-V508 VanDerWaalsContact CD1-CG1 3.44Å; I327-V508 HydrophobicContact CD1-CG2 4.37Å; I327-V508 HydrophobicContact CG1-CG1 4.29Å; V508-I515 PolarHBondContact N-O 3.33Å; V508-I515 PolarHBondContact O-N 3Å
509Q80.9Confident81.4Confident49 Ų4938 Ų3823%0.22920%0.197CC..EExtended strand (participates in β ladder)trans-88.1107.1173.2-1736241.700110.5L531Q509-L531 HydrophobicContact CB-CD2 4.48Å; Q509-L531 HydrophobicContact CB-CG 4.38Å
510L71.2Confident81.2Confident26 Ų2635.2 Ų35.214%0.13619%0.187CC..  trans-86.7177.8166.3-71.6-168.6000110.9I294 W325 T512 E513 I515I294-L510 HydrophobicContact CD1-CD1 4.03Å; I294-L510 HydrophobicContact CD1-CD2 3.76Å; I294-L510 HydrophobicContact CD1-CG 3.94Å; W325-L510 HydrophobicContact CB-CD1 3.81Å; W325-L510 HydrophobicContact CD2-CD1 3.59Å; W325-L510 HydrophobicContact CE3-CD1 3.39Å; W325-L510 HydrophobicContact CG-CD1 3.81Å; W325-L510 HydrophobicContact CZ3-CD1 4.08Å; L510-T512 PolarHBondContact O-N 3.46Å; L510-E513 PolarHBondContact N-O 2.82Å; L510-I515 HydrophobicContact CB-CD1 4.33Å; L510-I515 HydrophobicContact CD1-CD1 3.36Å; L510-I515 HydrophobicContact CD1-CG1 4.39Å; L510-I515 HydrophobicContact CG-CD1 3.95Å
511E66.2Low81Confident158 Ų15838.2 Ų38.274%0.73820%0.2SC*.SBendtrans-50.9-35.4-164.1-60.7-165.6138.100115.7R533E511-R533 VanDerWaalsContact CA-NH2 3.32Å
512T69Low80.8Confident127 Ų12738.8 Ų38.878%0.77921%0.205SC*.SBendtrans-127-21.8176.952.50000114.3L510L510-T512 PolarHBondContact O-N 3.46Å
513E76.1Confident80.7Confident134 Ų13439 Ų3963%0.62621%0.207SC*.  trans-128.8141.7-168.5-67.3-175.218000112.6L510L510-E513 PolarHBondContact N-O 2.82Å
514L81.6Confident80.7Confident43 Ų4339.1 Ų39.123%0.22521%0.208CC..EExtended strand (participates in β ladder)trans-78.9126.3170.3-176.470.3000108.9L507 K521 L524 L531L507-L514 HydrophobicContact CB-CD1 4Å; L507-L514 HydrophobicContact CD1-CD2 4.18Å; L507-L514 HydrophobicContact CD2-CG 4.44Å; L514-K521 HydrophobicContact CD2-CG 4.15Å; L514-K521 WeakPolarHBondContact O-CE 3.35Å; L514-K521 PolarHBondContact O-NZ 3.39Å; L514-L524 HydrophobicContact CD1-CD2 4.49Å; L514-L524 HydrophobicContact CD2-CD2 3.87Å; L514-L531 HydrophobicContact CD1-CB 4.16Å; L514-L531 HydrophobicContact CD1-CD2 3.88Å
515I77.3Confident80.4Confident16 Ų1642.7 Ų42.78%0.08224%0.237CC..EExtended strand (participates in β ladder)trans-120144.9-177.2-59.7-169.1000109.8I294 P306 L507 V508 L510I294-I515 HydrophobicContact CG2-CG2 4.16Å; P306-I515 HydrophobicContact CB-CG2 3.58Å; P306-I515 HydrophobicContact CG-CG2 3.51Å; L507-I515 CarbonylContact C-O 3.6Å; L507-I515 WeakPolarHBondContact CA-O 3.47Å; V508-I515 PolarHBondContact N-O 3.33Å; V508-I515 PolarHBondContact O-N 3Å; L510-I515 HydrophobicContact CB-CD1 4.33Å; L510-I515 HydrophobicContact CD1-CD1 3.36Å; L510-I515 HydrophobicContact CD1-CG1 4.39Å; L510-I515 HydrophobicContact CG-CD1 3.95Å
516G75.5Confident80.2Confident6 Ų643.7 Ų43.76%0.06225%0.248CC..SBendtrans127.9178.6-176.900000112.2V305 K521V305-G516 WeakPolarHBondContact CG1-O 3.32Å; G516-K521 WeakPolarHBondContact O-CD 3.34Å; G516-K521 WeakPolarHBondContact O-CE 3.04Å
517D77.7Confident80.3Confident71 Ų7143.2 Ų43.238%0.3825%0.245SC..  trans-48.8129.9-165.6-177.4-16.3000112.6L519 E520 K521D517-L519 PolarHBondContact O-N 3.29Å; D517-L519 VanDerWaalsContact O-N 3.16Å; D517-L519 VanDerWaalsContact OD1-CB 3.24Å; D517-L519 WeakPolarHBondContact OD1-CB 3.12Å; D517-L519 PolarHBondContact OD1-N 2.98Å; D517-E520 HydrophobicContact CB-CB 4.23Å; D517-E520 HydrophobicContact CB-CG 3.85Å; D517-E520 WeakPolarHBondContact O-CB 3.43Å; D517-E520 PolarHBondContact O-N 2.68Å; D517-K521 WeakPolarHBondContact O-CG 3.21Å; D517-K521 PolarHBondContact O-N 3.08Å
518P75.9Confident80.4Confident41 Ų4146.9 Ų46.927%0.26626%0.262SS..Hα-helixtrans-53.7-32.2175.8-25.135000113.8V305 L477 K521 A522V305-P518 HydrophobicContact CG2-CG 3.49Å; V305-P518 VanDerWaalsContact CG2-CG 3.49Å; L477-P518 HydrophobicContact CD1-CB 4.13Å; P518-K521 PolarHBondContact O-N 2.83Å; P518-A522 VanDerWaalsContact O-CB 3.28Å; P518-A522 WeakPolarHBondContact O-CB 3.33Å; P518-A522 PolarHBondContact O-N 3.29Å
519L82Confident80.8Confident17 Ų1747.3 Ų47.39%0.08926%0.262CS..Hα-helixtrans-63.8-47.6178.3-174.7152.9000109.8L477 D517 A522 C523 L615 I646L477-L519 HydrophobicContact CD1-CB 3.62Å; L477-L519 HydrophobicContact CD1-CG 4.34Å; D517-L519 PolarHBondContact O-N 3.29Å; D517-L519 VanDerWaalsContact O-N 3.16Å; D517-L519 VanDerWaalsContact OD1-CB 3.24Å; D517-L519 WeakPolarHBondContact OD1-CB 3.12Å; D517-L519 PolarHBondContact OD1-N 2.98Å; L519-A522 PolarHBondContact O-N 3.48Å; L519-C523 PolarHBondContact O-N 3.24Å; L519-C523 PolarHBondContact O-SG 3.08Å; L519-L615 HydrophobicContact CD1-CD1 3.99Å; L519-L615 HydrophobicContact CD2-CD1 3.83Å; L519-I646 HydrophobicContact CD1-CD1 3.7Å; L519-I646 HydrophobicContact CD2-CD1 3.76Å; L519-I646 HydrophobicContact CG-CD1 3.56Å
520E86.9Confident81.1Confident8 Ų849.4 Ų49.44%0.03727%0.274CS..Hα-helixtrans-68.2-40.3179-60.1-175.8154.700111.4H505 S506 L507 D517 A522 C523 L524 M562 K583H505-E520 WeakPolarHBondContact CA-OE1 3.45Å; H505-E520 HydrophobicContact CB-CB 4.11Å; H505-E520 HydrophobicContact CB-CG 4.24Å; S506-E520 WeakPolarHBondContact CA-OE2 3.49Å; S506-E520 VanDerWaalsContact N-CD 3.32Å; S506-E520 PolarHBondContact N-OE1 3.25Å; S506-E520 PolarHBondContact N-OE2 3.39Å; L507-E520 HydrophobicContact CD1-CB 3.95Å; L507-E520 HydrophobicContact CD2-CB 3.83Å; L507-E520 HydrophobicContact CG-CB 3.76Å; L507-E520 PolarHBondContact N-OE2 3.05Å; D517-E520 HydrophobicContact CB-CB 4.23Å; D517-E520 HydrophobicContact CB-CG 3.85Å; D517-E520 WeakPolarHBondContact O-CB 3.43Å; D517-E520 PolarHBondContact O-N 2.68Å; E520-A522 VanDerWaalsContact C-N 3.31Å; E520-A522 PolarHBondContact O-N 2.93Å; E520-C523 PolarHBondContact O-N 2.85Å; E520-L524 WeakPolarHBondContact O-CB 3.47Å; E520-L524 PolarHBondContact O-N 2.87Å; E520-M562 VanDerWaalsContact OE1-SD 3.38Å; E520-K583 VanDerWaalsContact CG-NZ 3.29Å; E520-K583 IonicContact OE1-NZ 2.71Å; E520-K583 PolarHBondContact OE1-NZ 3.32Å
521K85.4Confident81.9Confident64 Ų6448.3 Ų48.328%0.27827%0.268SS..Hα-helixtrans-58.8-44.1172.9-71.9179.6169.7177.90111.4L507 L514 G516 D517 P518 L524 A525L507-K521 HydrophobicContact CD2-CG 3.52Å; L514-K521 HydrophobicContact CD2-CG 4.15Å; L514-K521 WeakPolarHBondContact O-CE 3.35Å; L514-K521 PolarHBondContact O-NZ 3.39Å; G516-K521 WeakPolarHBondContact O-CD 3.34Å; G516-K521 WeakPolarHBondContact O-CE 3.04Å; D517-K521 WeakPolarHBondContact O-CG 3.21Å; D517-K521 PolarHBondContact O-N 3.08Å; P518-K521 PolarHBondContact O-N 2.83Å; K521-L524 PolarHBondContact O-N 3.43Å; K521-A525 WeakPolarHBondContact O-CB 3.3Å; K521-A525 PolarHBondContact O-N 3.22Å
522A85.8Confident82.9Confident19 Ų1942.7 Ų42.716%0.15725%0.245CC..Hα-helixtrans-64.6-40.7178.200000111.6L477 P518 L519 E520 G526L477-A522 HydrophobicContact CB-CB 4.29Å; L477-A522 VanDerWaalsContact O-CB 3.3Å; L477-A522 WeakPolarHBondContact O-CB 3.19Å; P518-A522 VanDerWaalsContact O-CB 3.28Å; P518-A522 WeakPolarHBondContact O-CB 3.33Å; P518-A522 PolarHBondContact O-N 3.29Å; L519-A522 PolarHBondContact O-N 3.48Å; E520-A522 VanDerWaalsContact C-N 3.31Å; E520-A522 PolarHBondContact O-N 2.93Å; A522-G526 PolarHBondContact O-N 3.02Å
523C88.2Confident83.4Confident4 Ų444.5 Ų44.53%0.02724%0.238CC..Hα-helixtrans-66.3-43.1174.8-66.90000112.6L490 L501 L519 E520 S527L490-C523 VanDerWaalsContact CD2-O 3.28Å; L490-C523 WeakPolarHBondContact CD2-O 3.37Å; L501-C523 HydrophobicContact CD2-CB 4.37Å; L519-C523 PolarHBondContact O-N 3.24Å; L519-C523 PolarHBondContact O-SG 3.08Å; E520-C523 PolarHBondContact O-N 2.85Å; C523-S527 WeakPolarHBondContact O-CB 3.27Å; C523-S527 PolarHBondContact O-N 3.45Å; C523-S527 PolarHBondContact O-OG 3.19Å
524L88.8Confident83.5Confident4 Ų445.5 Ų45.52%0.02124%0.242CC..Hα-helixtrans-69-42.5178.9-169.871.4000111.5V502 L507 L514 E520 K521 S527 E528 W529 L531 V537V502-L524 HydrophobicContact CG1-CD1 4.17Å; L507-L524 HydrophobicContact CD1-CB 3.94Å; L507-L524 HydrophobicContact CD1-CD2 3.71Å; L507-L524 HydrophobicContact CD1-CG 4.4Å; L514-L524 HydrophobicContact CD1-CD2 4.49Å; L514-L524 HydrophobicContact CD2-CD2 3.87Å; E520-L524 WeakPolarHBondContact O-CB 3.47Å; E520-L524 PolarHBondContact O-N 2.87Å; K521-L524 PolarHBondContact O-N 3.43Å; L524-S527 WeakPolarHBondContact CA-OG 3.05Å; L524-S527 PolarHBondContact O-N 3.45Å; L524-S527 PolarHBondContact O-OG 3.02Å; L524-E528 PolarHBondContact O-N 3.25Å; L524-W529 HydrophobicContact CD1-CB 3.74Å; L524-W529 WeakPolarHBondContact CG-O 3.45Å; L524-W529 PolarHBondContact O-N 3.38Å; L524-L531 HydrophobicContact CD2-CB 4.1Å; L524-V537 HydrophobicContact CD1-CG1 3.94Å
525A85.4Confident83.6Confident75 Ų7545.7 Ų45.762%0.6224%0.243SC*.Hα-helixtrans-65.7-41.617600000111.8K521 S527 E528K521-A525 WeakPolarHBondContact O-CB 3.3Å; K521-A525 PolarHBondContact O-N 3.22Å; A525-S527 VanDerWaalsContact C-N 3.31Å; A525-S527 PolarHBondContact O-N 3.18Å; A525-E528 PolarHBondContact O-N 2.85Å
526G83.5Confident84.1Confident23 Ų2346.2 Ų46.224%0.23725%0.247CC..Hα-helixtrans-66.8-29.4177.900000113.7Q491 A522Q491-G526 PolarHBondContact NE2-O 2.9Å; A522-G526 PolarHBondContact O-N 3.02Å
527S84.9Confident84.7Confident12 Ų1245.9 Ų45.98%0.08424%0.244CC..Hα-helixtrans-83.8-9.1177.150.90000113.6C523 L524 A525C523-S527 WeakPolarHBondContact O-CB 3.27Å; C523-S527 PolarHBondContact O-N 3.45Å; C523-S527 PolarHBondContact O-OG 3.19Å; L524-S527 WeakPolarHBondContact CA-OG 3.05Å; L524-S527 PolarHBondContact O-N 3.45Å; L524-S527 PolarHBondContact O-OG 3.02Å; A525-S527 VanDerWaalsContact C-N 3.31Å; A525-S527 PolarHBondContact O-N 3.18Å
528E85.4Confident85.2Confident78 Ų7846.2 Ų46.236%0.36425%0.245SC..THydrogen-bonded Turntrans61.436.5-175.3-52.7-166.1150.300114.6L524 A525 S540 K541L524-E528 PolarHBondContact O-N 3.25Å; A525-E528 PolarHBondContact O-N 2.85Å; E528-S540 WeakPolarHBondContact O-CB 3.38Å; E528-S540 PolarHBondContact O-N 3.33Å; E528-K541 IonicContact OE1-NZ 3.98Å; E528-K541 PolarHBondContact OE1-NZ 3.32Å; E528-K541 VanDerWaalsContact OE2-CD 3.25Å; E528-K541 WeakPolarHBondContact OE2-CD 3.41Å; E528-K541 WeakPolarHBondContact OE2-CE 3.41Å; E528-K541 IonicContact OE2-NZ 2.77Å; E528-K541 PolarHBondContact OE2-NZ 3.45Å
529W88.7Confident85.8Confident18 Ų1845.1 Ų45.17%0.06824%0.238CC..EExtended strand (participates in β ladder)trans-106154.6173.4-73.670.1000111.7I498 V502 L524 V537 I538 P539 Q544 L547I498-W529 HydrophobicContact CG2-CZ2 4.23Å; V502-W529 HydrophobicContact CB-CD2 4.37Å; V502-W529 HydrophobicContact CB-CG 4.43Å; V502-W529 HydrophobicContact CG1-CB 3.86Å; V502-W529 HydrophobicContact CG1-CD2 3.52Å; V502-W529 HydrophobicContact CG1-CE3 3.5Å; V502-W529 VanDerWaalsContact CG1-CE3 3.5Å; V502-W529 HydrophobicContact CG1-CG 3.71Å; V502-W529 HydrophobicContact CG1-CZ3 4.1Å; V502-W529 HydrophobicContact CG2-CB 4.19Å; V502-W529 HydrophobicContact CG2-CD2 4.01Å; V502-W529 HydrophobicContact CG2-CG 3.74Å; L524-W529 HydrophobicContact CD1-CB 3.74Å; L524-W529 WeakPolarHBondContact CG-O 3.45Å; L524-W529 PolarHBondContact O-N 3.38Å; W529-V537 HydrophobicContact CB-CG1 4.04Å; W529-V537 HydrophobicContact CE3-CB 4.2Å; W529-V537 HydrophobicContact CE3-CG1 3.98Å; W529-V537 WeakPolarHBondContact CZ3-O 3.28Å; W529-I538 VanDerWaalsContact CE3-C 3.49Å; W529-P539 HydrophobicContact CD2-CB 4.02Å; W529-P539 HydrophobicContact CE3-CB 4.15Å; W529-P539 HydrophobicContact CH2-CB 4.38Å; W529-P539 HydrophobicContact CH2-CG 4.41Å; W529-P539 HydrophobicContact CZ2-CB 4.24Å; W529-P539 HydrophobicContact CZ3-CB 4.34Å; W529-P539 HydrophobicContact CZ3-CG 4.31Å; W529-Q544 HydrophobicContact CH2-CB 4.1Å; W529-Q544 HydrophobicContact CZ2-CB 4.05Å; W529-L547 HydrophobicContact CH2-CD1 3.96Å; W529-L547 HydrophobicContact CH2-CG 4.13Å; W529-L547 HydrophobicContact CZ3-CD1 4.09Å; W529-L547 HydrophobicContact CZ3-CG 4.08Å
530I88.5Confident85.7Confident93 Ų9347.7 Ų47.748%0.47726%0.257SS..EExtended strand (participates in β ladder)trans-122.8129.1-178.5-57.4171.5000109.1V537 I538I530-V537 WeakPolarHBondContact O-CA 3.45Å; I530-I538 PolarHBondContact N-O 2.84Å; I530-I538 PolarHBondContact O-N 3.37Å
531L88.4Confident85.2Confident3 Ų354.6 Ų54.62%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-85.5130.1173.6179.665.3000110.6L507 Q509 L514 L524 V537 I549L507-L531 HydrophobicContact CB-CD2 3.87Å; L507-L531 VanDerWaalsContact O-CD2 3.3Å; L507-L531 WeakPolarHBondContact O-CD2 3.46Å; Q509-L531 HydrophobicContact CB-CD2 4.48Å; Q509-L531 HydrophobicContact CB-CG 4.38Å; L514-L531 HydrophobicContact CD1-CB 4.16Å; L514-L531 HydrophobicContact CD1-CD2 3.88Å; L524-L531 HydrophobicContact CD2-CB 4.1Å; L531-V537 HydrophobicContact CD1-CG2 3.95Å; L531-I549 HydrophobicContact CD1-CD1 4.49Å
532T86.3Confident84.5Confident40 Ų4053.9 Ų53.925%0.24529%0.291CS..  trans-92.8167.8173.765.30000112.2Q534 D535 T536 I538T532-Q534 PolarHBondContact O-N 3.29Å; T532-D535 PolarHBondContact O-N 2.96Å; T532-T536 WeakPolarHBondContact CB-O 3.26Å; T532-T536 WeakPolarHBondContact CG2-O 3.42Å; T532-T536 PolarHBondContact N-O 2.94Å; T532-T536 WeakPolarHBondContact OG1-CB 3.38Å; T532-T536 PolarHBondContact OG1-N 3.33Å; T532-T536 PolarHBondContact OG1-O 3.14Å; T532-I538 HydrophobicContact CG2-CD1 3.51Å; T532-I538 HydrophobicContact CG2-CG1 4.03Å
533R78.8Confident83.8Confident166 Ų16663.5 Ų63.563%0.62633%0.329SS*.THydrogen-bonded Turntrans-65.5-16.3176.7-64.3-170.8-173-1736.1114.5E511 D535E511-R533 VanDerWaalsContact CA-NH2 3.32Å; R533-D535 VanDerWaalsContact C-N 3.34Å
534Q78.2Confident83.3Confident154 Ų15466.3 Ų66.372%0.7234%0.341SS*.THydrogen-bonded Turntrans-99.928.2179.9-66.3179.7-24.500111.6T532 T536 H548T532-Q534 PolarHBondContact O-N 3.29Å; Q534-T536 PolarHBondContact O-N 3.32Å; Q534-T536 PolarHBondContact O-OG1 2.94Å; Q534-T536 VanDerWaalsContact O-OG1 3.09Å; Q534-H548 PolarHBondContact O-CE1 2.99Å
535D84.1Confident83.1Confident47 Ų4767.8 Ų67.825%0.25135%0.35SS..SBendtrans51.629.4-179.8-72.7-26.8000114.2T532 R533 I549 R552T532-D535 PolarHBondContact O-N 2.96Å; R533-D535 VanDerWaalsContact C-N 3.34Å; D535-I549 HydrophobicContact CB-CB 4.24Å; D535-I549 WeakPolarHBondContact O-CB 3.36Å; D535-I549 PolarHBondContact O-N 3.36Å; D535-R552 IonicContact OD1-CZ 2.68Å; D535-R552 IonicContact OD1-NH1 2.71Å; D535-R552 IonicContact OD1-NH2 3.51Å; D535-R552 PolarHBondContact OD1-NH2 3.47Å; D535-R552 IonicContact OD2-CZ 3.77Å; D535-R552 IonicContact OD2-NH2 3.02Å
536T87.4Confident83.2Confident27 Ų2767.4 Ų67.417%0.16634%0.342CS..EExtended strand (participates in β ladder)trans-106.1130.8176-53.80000108.4T532 Q534 I538 P546 L547 H548T532-T536 WeakPolarHBondContact CB-O 3.26Å; T532-T536 WeakPolarHBondContact CG2-O 3.42Å; T532-T536 PolarHBondContact N-O 2.94Å; T532-T536 WeakPolarHBondContact OG1-CB 3.38Å; T532-T536 PolarHBondContact OG1-N 3.33Å; T532-T536 PolarHBondContact OG1-O 3.14Å; Q534-T536 PolarHBondContact O-N 3.32Å; Q534-T536 PolarHBondContact O-OG1 2.94Å; Q534-T536 VanDerWaalsContact O-OG1 3.09Å; T536-I538 HydrophobicContact CG2-CG1 4.42Å; T536-P546 HydrophobicContact CG2-CB 4.25Å; T536-L547 CarbonylContact C-O 3.52Å; T536-L547 WeakPolarHBondContact CA-O 3.46Å; T536-L547 WeakPolarHBondContact CG2-O 3.32Å; T536-H548 PolarHBondContact OG1-ND1 2.98Å
537V89.1Confident83.6Confident0 Ų066.5 Ų66.50%033%0.331CS..EExtended strand (participates in β ladder)trans-105.9124.6-177.6-151.50000109.1V502 L524 W529 I530 L531 P546 L547 I549V502-V537 HydrophobicContact CG1-CB 3.79Å; V502-V537 HydrophobicContact CG1-CG1 3.33Å; V502-V537 HydrophobicContact CG1-CG2 4.34Å; L524-V537 HydrophobicContact CD1-CG1 3.94Å; W529-V537 HydrophobicContact CB-CG1 4.04Å; W529-V537 HydrophobicContact CE3-CB 4.2Å; W529-V537 HydrophobicContact CE3-CG1 3.98Å; W529-V537 WeakPolarHBondContact CZ3-O 3.28Å; I530-V537 WeakPolarHBondContact O-CA 3.45Å; L531-V537 HydrophobicContact CD1-CG2 3.95Å; V537-P546 WeakPolarHBondContact O-CA 3.2Å; V537-L547 PolarHBondContact N-O 3.4Å; V537-L547 PolarHBondContact O-N 3.13Å; V537-I549 HydrophobicContact CG2-CD1 3.85Å; V537-I549 HydrophobicContact CG2-CG1 4.32Å
538I88.6Confident83.8Confident78 Ų7869.7 Ų69.740%0.435%0.345SS..EExtended strand (participates in β ladder)trans-118.7132.3-171.7-54.7177.8000108.6W529 I530 T532 T536 P546W529-I538 VanDerWaalsContact CE3-C 3.49Å; I530-I538 PolarHBondContact N-O 2.84Å; I530-I538 PolarHBondContact O-N 3.37Å; T532-I538 HydrophobicContact CG2-CD1 3.51Å; T532-I538 HydrophobicContact CG2-CG1 4.03Å; T536-I538 HydrophobicContact CG2-CG1 4.42Å; I538-P546 HydrophobicContact CG1-CB 4.36Å
539P86.5Confident84Confident17 Ų1766.3 Ų66.311%0.1133%0.329CS..EExtended strand (participates in β ladder)trans-69.4136.4175.226.9-31.8000111.1W529 S542 Q544W529-P539 HydrophobicContact CD2-CB 4.02Å; W529-P539 HydrophobicContact CE3-CB 4.15Å; W529-P539 HydrophobicContact CH2-CB 4.38Å; W529-P539 HydrophobicContact CH2-CG 4.41Å; W529-P539 HydrophobicContact CZ2-CB 4.24Å; W529-P539 HydrophobicContact CZ3-CB 4.34Å; W529-P539 HydrophobicContact CZ3-CG 4.31Å; P539-S542 WeakPolarHBondContact CB-OG 3.3Å; P539-S542 WeakPolarHBondContact CG-O 3.32Å; P539-Q544 HydrophobicContact CG-CB 4.17Å; P539-Q544 WeakPolarHBondContact CG-O 3.23Å
540S80.9Confident83.8Confident71 Ų7168.1 Ų68.150%0.49734%0.344SS..SBendtrans-77.2-38.5-179.8-175.60000112.9E528E528-S540 WeakPolarHBondContact O-CB 3.38Å; E528-S540 PolarHBondContact O-N 3.33Å
541K76.7Confident83.5Confident153 Ų15367.9 Ų67.967%0.66534%0.341SS*.SBendtrans-124.1-23.7-176.9-59.9-171.8-160.9142.20114.8E528E528-K541 IonicContact OE1-NZ 3.98Å; E528-K541 PolarHBondContact OE1-NZ 3.32Å; E528-K541 VanDerWaalsContact OE2-CD 3.25Å; E528-K541 WeakPolarHBondContact OE2-CD 3.41Å; E528-K541 WeakPolarHBondContact OE2-CE 3.41Å; E528-K541 IonicContact OE2-NZ 2.77Å; E528-K541 PolarHBondContact OE2-NZ 3.45Å
542S70.5Confident83.3Confident50 Ų5068.8 Ų68.835%0.3534%0.344SS..SBendtrans-83.1149-175.671.80000111.8P539 Q544P539-S542 WeakPolarHBondContact CB-OG 3.3Å; P539-S542 WeakPolarHBondContact CG-O 3.32Å; S542-Q544 PolarHBondContact O-N 2.72Å; S542-Q544 PolarHBondContact OG-OE1 3.08Å
543K71.9Confident83.3Confident220 Ų22068.5 Ų68.596%0.95734%0.339SS*.  trans-77.726.2174.1-69.2-173.9176.9-1800113
544Q77.1Confident83.4Confident63 Ų6362 Ų6229%0.29432%0.315SS..PPolyproline II helixtrans-78.4158.8-177.3-73.3170.1-33.300111.3W529 P539 S542W529-Q544 HydrophobicContact CH2-CB 4.1Å; W529-Q544 HydrophobicContact CZ2-CB 4.05Å; P539-Q544 HydrophobicContact CG-CB 4.17Å; P539-Q544 WeakPolarHBondContact CG-O 3.23Å; S542-Q544 PolarHBondContact O-N 2.72Å; S542-Q544 PolarHBondContact OG-OE1 3.08Å
545V85Confident83.4Confident35 Ų3560 Ų6021%0.21231%0.305CS..PPolyproline II helixtrans-74.3137.4179.4-178.40000109.5V569 T571V545-V569 WeakPolarHBondContact CG1-O 3.41Å; V545-T571 HydrophobicContact CG2-CG2 3.85Å
546P87.8Confident82.8Confident68 Ų6859 Ų5944%0.44230%0.301SS..PPolyproline II helixtrans-61.8140.9172.126.9-35000111.2T536 V537 I538T536-P546 HydrophobicContact CG2-CB 4.25Å; V537-P546 WeakPolarHBondContact O-CA 3.2Å; I538-P546 HydrophobicContact CG1-CB 4.36Å
547L90.4Very high81.8Confident3 Ų362.3 Ų62.32%0.01633%0.325CS..EExtended strand (participates in β ladder)trans-108.5133.9-178.1-56175.2000109.2R499 T503 W529 T536 V537 Y568 F579R499-L547 HydrophobicContact CB-CD1 4.43Å; R499-L547 HydrophobicContact CG-CD1 4.1Å; T503-L547 HydrophobicContact CG2-CB 3.77Å; T503-L547 HydrophobicContact CG2-CD1 3.51Å; T503-L547 HydrophobicContact CG2-CG 4.25Å; W529-L547 HydrophobicContact CH2-CD1 3.96Å; W529-L547 HydrophobicContact CH2-CG 4.13Å; W529-L547 HydrophobicContact CZ3-CD1 4.09Å; W529-L547 HydrophobicContact CZ3-CG 4.08Å; T536-L547 CarbonylContact C-O 3.52Å; T536-L547 WeakPolarHBondContact CA-O 3.46Å; T536-L547 WeakPolarHBondContact CG2-O 3.32Å; V537-L547 PolarHBondContact N-O 3.4Å; V537-L547 PolarHBondContact O-N 3.13Å; L547-Y568 HydrophobicContact CD2-CD1 4.45Å; L547-Y568 HydrophobicContact CD2-CG 4.09Å; L547-F579 HydrophobicContact CD2-CE1 4.39Å
548H90.1Very high80.8Confident79 Ų7965.8 Ų65.837%0.36635%0.35SS..EExtended strand (participates in β ladder)trans-106.7124.4178.2-174.962000110.4Q534 T536 C550 A566 S567Q534-H548 PolarHBondContact O-CE1 2.99Å; T536-H548 PolarHBondContact OG1-ND1 2.98Å; H548-C550 PolarHBondContact O-N 3.02Å; H548-A566 CarbonylContact O-C 3.49Å; H548-A566 VanDerWaalsContact O-CA 3.25Å; H548-A566 WeakPolarHBondContact O-CA 3.46Å; H548-S567 PolarHBondContact N-O 3.4Å; H548-S567 PolarHBondContact O-N 2.99Å
549I88.2Confident80.2Confident7 Ų764.9 Ų64.94%0.03635%0.345CS..EExtended strand (participates in β ladder)trans-84.3112178.2-61.9164.9000108.4L531 D535 V537 R552 V564L531-I549 HydrophobicContact CD1-CD1 4.49Å; D535-I549 HydrophobicContact CB-CB 4.24Å; D535-I549 WeakPolarHBondContact O-CB 3.36Å; D535-I549 PolarHBondContact O-N 3.36Å; V537-I549 HydrophobicContact CG2-CD1 3.85Å; V537-I549 HydrophobicContact CG2-CG1 4.32Å; I549-R552 HydrophobicContact CG2-CG 3.64Å; I549-V564 HydrophobicContact CB-CG1 4.47Å; I549-V564 HydrophobicContact CG1-CG1 4.41Å; I549-V564 HydrophobicContact CG2-CG1 3.56Å
550C84.9Confident80Confident56 Ų5667.5 Ų67.538%0.37836%0.356SS..EExtended strand (participates in β ladder)trans-86.5-42.9-177.1-58.80000112.7H548 I565 S567H548-C550 PolarHBondContact O-N 3.02Å; C550-I565 HydrophobicContact CB-CG2 4.01Å; C550-I565 PolarHBondContact N-O 2.79Å; C550-S567 PolarHBondContact SG-OG 3.44Å; C550-S567 VanDerWaalsContact SG-OG 3.42Å
551H83.6Confident80.3Confident88 Ų8864.8 Ų64.841%0.40734%0.335SS..EExtended strand (participates in β ladder)trans-151140-178.6-164.760.2000111.4Y553 V564 I565H551-Y553 AromaticContact CD2-CE1 3.92Å; H551-Y553 AromaticContact CD2-CE2 3.82Å; H551-Y553 AromaticContact CD2-CZ 3.63Å; H551-Y553 AromaticContact NE2-CE1 3.81Å; H551-Y553 AromaticContact NE2-CZ 3.99Å; H551-V564 WeakPolarHBondContact O-CA 3.35Å; H551-I565 HydrophobicContact CB-CB 4.22Å; H551-I565 HydrophobicContact CB-CD1 4.13Å; H551-I565 PolarHBondContact N-O 2.94Å; H551-I565 VanDerWaalsContact N-O 3.16Å; H551-I565 PolarHBondContact O-N 2.78Å
552R84.1Confident80.8Confident23 Ų2357.5 Ų57.59%0.08730%0.303CS..EExtended strand (participates in β ladder)trans-117.6119.1-179.5-58.5-180-172.6-178.3-1.1110.1L507 D535 I549 V564L507-R552 PolarHBondContact O-NH1 2.96Å; D535-R552 IonicContact OD1-CZ 2.68Å; D535-R552 IonicContact OD1-NH1 2.71Å; D535-R552 IonicContact OD1-NH2 3.51Å; D535-R552 PolarHBondContact OD1-NH2 3.47Å; D535-R552 IonicContact OD2-CZ 3.77Å; D535-R552 IonicContact OD2-NH2 3.02Å; I549-R552 HydrophobicContact CG2-CG 3.64Å; R552-V564 HydrophobicContact CB-CG2 4.37Å; R552-V564 HydrophobicContact CG-CG2 4.15Å
553Y84.6Confident81.7Confident33 Ų3355.1 Ų55.113%0.12929%0.287CS..EExtended strand (participates in β ladder)trans-90.6100.6160.5-59.3-78.9000108.1H551 S563 I565 M629 R631 V634H551-Y553 AromaticContact CD2-CE1 3.92Å; H551-Y553 AromaticContact CD2-CE2 3.82Å; H551-Y553 AromaticContact CD2-CZ 3.63Å; H551-Y553 AromaticContact NE2-CE1 3.81Å; H551-Y553 AromaticContact NE2-CZ 3.99Å; Y553-S563 CarbonylContact C-O 3.56Å; Y553-S563 WeakPolarHBondContact CA-O 3.44Å; Y553-S563 WeakPolarHBondContact CB-O 3.37Å; Y553-S563 WeakPolarHBondContact CB-OG 3.4Å; Y553-S563 WeakPolarHBondContact CD2-OG 3.34Å; Y553-S563 PolarHBondContact N-O 2.77Å; Y553-S563 PolarHBondContact O-N 3.43Å; Y553-S563 VanDerWaalsContact O-N 3.16Å; Y553-I565 HydrophobicContact CE2-CD1 3.88Å; Y553-M629 PolarHBondContact OH-O 3.48Å; Y553-R631 HydrophobicContact CD1-CB 3.85Å; Y553-R631 HydrophobicContact CD1-CG 3.97Å; Y553-R631 HydrophobicContact CE1-CB 3.87Å; Y553-R631 HydrophobicContact CE1-CG 4.45Å; Y553-R631 HydrophobicContact CG-CB 4.44Å; Y553-R631 HydrophobicContact CG-CG 4.14Å; Y553-V634 HydrophobicContact CD2-CG1 4.43Å; Y553-V634 HydrophobicContact CE2-CB 4.21Å; Y553-V634 HydrophobicContact CE2-CG1 4.06Å; Y553-V634 HydrophobicContact CE2-CG2 3.96Å
554H80.9Confident82.6Confident29 Ų2944.7 Ų44.713%0.13424%0.241CC..EExtended strand (participates in β ladder)trans-56.7152.3-177.2-65.9-72.8000112.9V310 S506 S556 R631V310-H554 WeakPolarHBondContact CG2-NE2 3.36Å; S506-H554 PolarHBondContact OG-ND1 3.33Å; H554-S556 PolarHBondContact O-N 3.05Å; H554-R631 PolarHBondContact O-NH1 3.06Å
555F79.6Confident83.2Confident114 Ų11441.8 Ų41.850%0.523%0.228SC..EExtended strand (participates in β ladder)trans-56134171.7-179.7-98.6000110.3R561 M562F555-R561 WeakPolarHBondContact CA-O 3.45Å; F555-M562 HydrophobicContact CB-CB 3.94Å
556S70.8Confident83.4Confident25 Ų2540.1 Ų40.118%0.17522%0.217CC..EExtended strand (participates in β ladder)trans-122.7125.8171.3-169.70000108.7H554 S558 L559 Q560H554-S556 PolarHBondContact O-N 3.05Å; S556-S558 PolarHBondContact O-N 2.84Å; S556-S558 PolarHBondContact OG-OG 2.96Å; S556-L559 CarbonylContact O-C 3.58Å; S556-L559 PolarHBondContact O-N 3.28Å; S556-Q560 PolarHBondContact O-N 2.94Å
557S66.1Low83.5Confident96 Ų9637.2 Ų37.267%0.67120%0.199SC*.THydrogen-bonded Turntrans-57.5-33179.857.80000113.2L559 Q560S557-L559 VanDerWaalsContact C-N 3.34Å; S557-Q560 VanDerWaalsContact O-CG 3.32Å; S557-Q560 WeakPolarHBondContact O-CG 3.18Å
558S68Low83.4Confident74 Ų7439.1 Ų39.152%0.51721%0.206SC..THydrogen-bonded Turntrans-70.7-28.617556.50000113.4K315 S556K315-S558 PolarHBondContact NZ-OG 3.34Å; S556-S558 PolarHBondContact O-N 2.84Å; S556-S558 PolarHBondContact OG-OG 2.96Å
559L77Confident83.1Confident59 Ų5938.2 Ų38.231%0.30921%0.206SC..THydrogen-bonded Turntrans-96.9-16.9179.5-60.9174.8000112.5S556 S557 R561 V588 R631S556-L559 CarbonylContact O-C 3.58Å; S556-L559 PolarHBondContact O-N 3.28Å; S557-L559 VanDerWaalsContact C-N 3.34Å; L559-R561 HydrophobicContact CB-CG 4.21Å; L559-R561 WeakPolarHBondContact O-CG 3.38Å; L559-R561 PolarHBondContact O-N 2.93Å; L559-R561 VanDerWaalsContact O-N 3.09Å; L559-V588 WeakPolarHBondContact O-CG1 3.23Å; L559-R631 VanDerWaalsContact CD1-CZ 3.43Å
560Q81.4Confident82.8Confident72 Ų7239.3 Ų39.334%0.33621%0.214SC..THydrogen-bonded Turntrans52.527-178.7-54.6-178.69.600115.1S556 S557 G584 S585 V588S556-Q560 PolarHBondContact O-N 2.94Å; S557-Q560 VanDerWaalsContact O-CG 3.32Å; S557-Q560 WeakPolarHBondContact O-CG 3.18Å; Q560-G584 VanDerWaalsContact O-CA 3.24Å; Q560-G584 WeakPolarHBondContact O-CA 3.39Å; Q560-S585 WeakPolarHBondContact CB-OG 3.47Å; Q560-S585 PolarHBondContact O-N 3.15Å; Q560-S585 PolarHBondContact OE1-OG 3.19Å; Q560-V588 HydrophobicContact CB-CG2 4.2Å
561R86.9Confident82.5Confident14 Ų1442.8 Ų42.85%0.05323%0.233CC..EExtended strand (participates in β ladder)trans-150.8159.7-178.868.3-166.1-176.5-128.84.1112.4F555 L559 K583 L589 R631 D632 E635F555-R561 WeakPolarHBondContact CA-O 3.45Å; L559-R561 HydrophobicContact CB-CG 4.21Å; L559-R561 WeakPolarHBondContact O-CG 3.38Å; L559-R561 PolarHBondContact O-N 2.93Å; L559-R561 VanDerWaalsContact O-N 3.09Å; R561-K583 WeakPolarHBondContact CA-O 3.45Å; R561-L589 HydrophobicContact CB-CD2 4.3Å; R561-R631 PolarHBondContact O-NH2 3.41Å; R561-D632 IonicContact NH2-OD1 3.92Å; R561-E635 IonicContact CZ-OE2 4Å; R561-E635 VanDerWaalsContact NE-CD 3.32Å; R561-E635 IonicContact NE-OE1 3.77Å; R561-E635 IonicContact NE-OE2 3.73Å; R561-E635 PolarHBondContact NE-OE2 3.3Å; R561-E635 IonicContact NH2-OE2 3.59Å; R561-E635 PolarHBondContact NH2-OE2 2.89Å
562M88.4Confident82.3Confident0 Ų042.7 Ų42.70%026%0.257CS..EExtended strand (participates in β ladder)trans-137.4152.1170.967.5171.6-74.800111.1C504 E520 F555 V564 V582 K583C504-M562 VanDerWaalsContact C-CE 3.42Å; C504-M562 WeakPolarHBondContact O-CE 3.39Å; E520-M562 VanDerWaalsContact OE1-SD 3.38Å; F555-M562 HydrophobicContact CB-CB 3.94Å; M562-V564 HydrophobicContact CE-CG2 3.84Å; M562-V582 WeakPolarHBondContact O-CA 3.45Å; M562-V582 WeakPolarHBondContact O-CG1 3.48Å; M562-K583 HydrophobicContact CG-CD 4.12Å; M562-K583 HydrophobicContact CG-CG 3.51Å; M562-K583 PolarHBondContact N-O 2.95Å; M562-K583 PolarHBondContact O-N 2.95Å; M562-K583 HydrophobicContact SD-CD 4.07Å; M562-K583 WeakPolarHBondContact SD-CE 3.26Å; M562-K583 HydrophobicContact SD-CG 4.14Å; M562-K583 PolarHBondContact SD-NZ 3.39Å
563S90.1Very high82.1Confident0 Ų045 Ų450%027%0.273CS..EExtended strand (participates in β ladder)trans-136147178.655.20000110.8Y553 A581 E635Y553-S563 CarbonylContact C-O 3.56Å; Y553-S563 WeakPolarHBondContact CA-O 3.44Å; Y553-S563 WeakPolarHBondContact CB-O 3.37Å; Y553-S563 WeakPolarHBondContact CB-OG 3.4Å; Y553-S563 WeakPolarHBondContact CD2-OG 3.34Å; Y553-S563 PolarHBondContact N-O 2.77Å; Y553-S563 PolarHBondContact O-N 3.43Å; Y553-S563 VanDerWaalsContact O-N 3.16Å; S563-A581 CarbonylContact C-O 3.53Å; S563-A581 VanDerWaalsContact CA-O 3.28Å; S563-A581 WeakPolarHBondContact CA-O 3.5Å; S563-E635 PolarHBondContact OG-OE1 3Å
564V90Very high81.7Confident0 Ų048.8 Ų48.80%031%0.305CS..EExtended strand (participates in β ladder)trans-135.6134.4-180173.90000108.4C504 I549 H551 R552 M562 V580 A581C504-V564 HydrophobicContact CB-CG2 4.46Å; I549-V564 HydrophobicContact CB-CG1 4.47Å; I549-V564 HydrophobicContact CG1-CG1 4.41Å; I549-V564 HydrophobicContact CG2-CG1 3.56Å; H551-V564 WeakPolarHBondContact O-CA 3.35Å; R552-V564 HydrophobicContact CB-CG2 4.37Å; R552-V564 HydrophobicContact CG-CG2 4.15Å; M562-V564 HydrophobicContact CE-CG2 3.84Å; V564-V580 WeakPolarHBondContact O-CA 3.29Å; V564-A581 PolarHBondContact N-O 3.39Å; V564-A581 PolarHBondContact O-N 2.93Å
565I89.4Confident81.7Confident2 Ų251.8 Ų51.81%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-93.4121.6168-68.4156.5000106.9C550 H551 Y553 V580 I626 V634C550-I565 HydrophobicContact CB-CG2 4.01Å; C550-I565 PolarHBondContact N-O 2.79Å; H551-I565 HydrophobicContact CB-CB 4.22Å; H551-I565 HydrophobicContact CB-CD1 4.13Å; H551-I565 PolarHBondContact N-O 2.94Å; H551-I565 VanDerWaalsContact N-O 3.16Å; H551-I565 PolarHBondContact O-N 2.78Å; Y553-I565 HydrophobicContact CE2-CD1 3.88Å; I565-V580 HydrophobicContact CG1-CG2 4.34Å; I565-I626 HydrophobicContact CB-CG2 4.22Å; I565-I626 HydrophobicContact CD1-CG2 3.53Å; I565-I626 HydrophobicContact CG1-CG2 3.95Å; I565-I626 HydrophobicContact CG2-CG2 3.34Å; I565-V634 HydrophobicContact CD1-CG2 4.33Å; I565-V634 HydrophobicContact CG1-CG1 4.5Å
566A90.3Very high81.9Confident0 Ų051.5 Ų51.50%032%0.323CS..EExtended strand (participates in β ladder)trans-125.5153.7177.200000111T503 H548 Y578 F579T503-A566 HydrophobicContact CG2-CB 3.91Å; H548-A566 CarbonylContact O-C 3.49Å; H548-A566 VanDerWaalsContact O-CA 3.25Å; H548-A566 WeakPolarHBondContact O-CA 3.46Å; A566-Y578 WeakPolarHBondContact O-CA 3.41Å; A566-F579 HydrophobicContact CB-CD1 4.28Å; A566-F579 HydrophobicContact CB-CE1 3.61Å; A566-F579 HydrophobicContact CB-CE2 4.12Å; A566-F579 HydrophobicContact CB-CZ 3.54Å; A566-F579 PolarHBondContact N-O 2.86Å; A566-F579 WeakPolarHBondContact O-CD1 3.33Å; A566-F579 PolarHBondContact O-N 3.23Å
567S88.5Confident82.6Confident8 Ų855.1 Ų55.16%0.05634%0.339CS..EExtended strand (participates in β ladder)trans-124.3152.5174.871.50000111.5H548 C550 M577H548-S567 PolarHBondContact N-O 3.4Å; H548-S567 PolarHBondContact O-N 2.99Å; C550-S567 PolarHBondContact SG-OG 3.44Å; C550-S567 VanDerWaalsContact SG-OG 3.42Å; S567-M577 CarbonylContact C-O 3.52Å; S567-M577 WeakPolarHBondContact CA-O 3.5Å; S567-M577 WeakPolarHBondContact CB-O 3.2Å
568Y87.8Confident83.6Confident42 Ų4253.8 Ų53.817%0.16532%0.319CS..EExtended strand (participates in β ladder)trans-149.5157.8173.270.8-78.5000110R499 L547 P570 M577 F579R499-Y568 PolarHBondContact NH1-OH 3.33Å; L547-Y568 HydrophobicContact CD2-CD1 4.45Å; L547-Y568 HydrophobicContact CD2-CG 4.09Å; Y568-P570 HydrophobicContact CD2-CG 4.15Å; Y568-P570 HydrophobicContact CE2-CB 4.23Å; Y568-P570 HydrophobicContact CE2-CG 3.71Å; Y568-M577 HydrophobicContact CD1-CB 4.13Å; Y568-M577 HydrophobicContact CE1-CB 3.72Å; Y568-M577 HydrophobicContact CE2-CB 4.38Å; Y568-M577 PolarHBondContact N-O 3.44Å; Y568-M577 PolarHBondContact O-N 3.25Å; Y568-F579 AromaticContact CD1-CD1 3.67Å; Y568-F579 HydrophobicContact CD1-CD1 3.67Å; Y568-F579 AromaticContact CD1-CE1 3.68Å; Y568-F579 HydrophobicContact CD1-CE1 3.68Å; Y568-F579 AromaticContact CE1-CD1 3.77Å; Y568-F579 HydrophobicContact CE1-CD1 3.77Å; Y568-F579 HydrophobicContact CE1-CE1 4.14Å
569V85.1Confident84.6Confident61 Ų6150.9 Ų50.937%0.3730%0.297SS..  trans-108.2105.1176.6-179.50000107.6V545 T573 M576V545-V569 WeakPolarHBondContact CG1-O 3.41Å; V569-T573 WeakPolarHBondContact CG1-O 3.23Å; V569-M576 HydrophobicContact CG2-CG 3.95Å
570P81.1Confident85.2Confident29 Ų2948.3 Ų48.319%0.18828%0.284CS..  trans-57.2143.8179.5-16.525.4000111.6Y568 G572 T573 D575 M577Y568-P570 HydrophobicContact CD2-CG 4.15Å; Y568-P570 HydrophobicContact CE2-CB 4.23Å; Y568-P570 HydrophobicContact CE2-CG 3.71Å; P570-G572 PolarHBondContact O-N 2.99Å; P570-G572 VanDerWaalsContact O-N 3.08Å; P570-T573 WeakPolarHBondContact CB-OG1 3.26Å; P570-T573 PolarHBondContact O-N 3.43Å; P570-T573 PolarHBondContact O-OG1 3.43Å; P570-D575 WeakPolarHBondContact CD-O 3.47Å; P570-M577 HydrophobicContact CG-CB 4.34Å; P570-M577 HydrophobicContact CG-CG 3.64Å
571T78.8Confident85.7Confident129 Ų12944.9 Ų44.979%0.79127%0.268SS*.THydrogen-bonded Turntrans-60.1113.1176.341.20000110.7V545V545-T571 HydrophobicContact CG2-CG2 3.85Å
572G80.4Confident86Confident87 Ų8744.2 Ų44.290%0.89727%0.266SS*.THydrogen-bonded Turntrans109.3-10.1178.200000115.1P570P570-G572 PolarHBondContact O-N 2.99Å; P570-G572 VanDerWaalsContact O-N 3.08Å
573T78.5Confident86.1Confident70 Ų7045 Ų4543%0.42927%0.269SS..  trans-120.5145.2176.549.40000110.9V569 P570V569-T573 WeakPolarHBondContact CG1-O 3.23Å; P570-T573 WeakPolarHBondContact CB-OG1 3.26Å; P570-T573 PolarHBondContact O-N 3.43Å; P570-T573 PolarHBondContact O-OG1 3.43Å
574S77.6Confident86.1Confident114 Ų11445.1 Ų45.180%0.79727%0.27SS*.  trans-86.9-7.5171.654.90000113.5
575D80.9Confident86Confident91 Ų9145.8 Ų45.849%0.48727%0.274SS..SBendtrans-77.6129.1-178.4-75.2-42.2000111.3P570 M577 R624P570-D575 WeakPolarHBondContact CD-O 3.47Å; D575-M577 PolarHBondContact O-N 3.49Å; D575-R624 IonicContact OD1-NH2 3.26Å; D575-R624 PolarHBondContact OD1-NH2 2.99Å
576M82.1Confident85.9Confident108 Ų10845.9 Ų45.953%0.53228%0.275SS..PPolyproline II helixtrans-72.2120170.1-69.8-168178.400109.6V569 Y578V569-M576 HydrophobicContact CG2-CG 3.95Å; M576-Y578 HydrophobicContact CB-CE2 4.21Å
577M85.3Confident85.5Confident102 Ų10249.3 Ų49.350%0.50229%0.291SS..EExtended strand (participates in β ladder)trans-89.3142.6168.6-75.7-81.5-160.800109S567 Y568 P570 D575S567-M577 CarbonylContact C-O 3.52Å; S567-M577 WeakPolarHBondContact CA-O 3.5Å; S567-M577 WeakPolarHBondContact CB-O 3.2Å; Y568-M577 HydrophobicContact CD1-CB 4.13Å; Y568-M577 HydrophobicContact CE1-CB 3.72Å; Y568-M577 HydrophobicContact CE2-CB 4.38Å; Y568-M577 PolarHBondContact N-O 3.44Å; Y568-M577 PolarHBondContact O-N 3.25Å; P570-M577 HydrophobicContact CG-CB 4.34Å; P570-M577 HydrophobicContact CG-CG 3.64Å; D575-M577 PolarHBondContact O-N 3.49Å
578Y88.1Confident85.4Confident67 Ų6750.7 Ų50.726%0.26330%0.299SS..EExtended strand (participates in β ladder)trans-120143.5175.4-67.6-90.6000110.5A566 M576 A622 I626A566-Y578 WeakPolarHBondContact O-CA 3.41Å; M576-Y578 HydrophobicContact CB-CE2 4.21Å; Y578-A622 PolarHBondContact O-N 2.98Å; Y578-A622 VanDerWaalsContact O-N 3.14Å; Y578-I626 HydrophobicContact CD1-CD1 3.32Å; Y578-I626 HydrophobicContact CD2-CD1 3.46Å; Y578-I626 VanDerWaalsContact CD2-CD1 3.46Å; Y578-I626 HydrophobicContact CE1-CD1 3.98Å; Y578-I626 HydrophobicContact CE2-CD1 4.1Å; Y578-I626 HydrophobicContact CG-CD1 3.01Å
579F88.9Confident85.4Confident14 Ų1448.7 Ų48.76%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-142.9155.4174.569.8-80000110.1R499 T503 L547 A566 Y568 A581 A620R499-F579 HydrophobicContact CB-CE2 4.1Å; R499-F579 HydrophobicContact CB-CZ 4.14Å; T503-F579 HydrophobicContact CG2-CZ 3.94Å; L547-F579 HydrophobicContact CD2-CE1 4.39Å; A566-F579 HydrophobicContact CB-CD1 4.28Å; A566-F579 HydrophobicContact CB-CE1 3.61Å; A566-F579 HydrophobicContact CB-CE2 4.12Å; A566-F579 HydrophobicContact CB-CZ 3.54Å; A566-F579 PolarHBondContact N-O 2.86Å; A566-F579 WeakPolarHBondContact O-CD1 3.33Å; A566-F579 PolarHBondContact O-N 3.23Å; Y568-F579 AromaticContact CD1-CD1 3.67Å; Y568-F579 HydrophobicContact CD1-CD1 3.67Å; Y568-F579 AromaticContact CD1-CE1 3.68Å; Y568-F579 HydrophobicContact CD1-CE1 3.68Å; Y568-F579 AromaticContact CE1-CD1 3.77Å; Y568-F579 HydrophobicContact CE1-CD1 3.77Å; Y568-F579 HydrophobicContact CE1-CE1 4.14Å; F579-A581 HydrophobicContact CD2-CB 4.38Å; F579-A581 HydrophobicContact CE2-CB 4.09Å; F579-A620 CarbonylContact C-O 3.14Å; F579-A620 WeakPolarHBondContact CA-O 3.22Å
580V90Very high85.4Confident5 Ų549.5 Ų49.53%0.0329%0.29CS..EExtended strand (participates in β ladder)trans-103.5128.7174.3178.30000107.5V564 I565 V582 S619 A620 A622 V634V564-V580 WeakPolarHBondContact O-CA 3.29Å; I565-V580 HydrophobicContact CG1-CG2 4.34Å; V580-V582 HydrophobicContact CG1-CG2 3.77Å; V580-S619 CarbonylContact O-C 3.54Å; V580-S619 VanDerWaalsContact O-CA 3.25Å; V580-S619 WeakPolarHBondContact O-CA 3.46Å; V580-A620 HydrophobicContact CB-CB 4.41Å; V580-A620 PolarHBondContact N-O 3.17Å; V580-A620 PolarHBondContact O-N 2.85Å; V580-A622 HydrophobicContact CG2-CB 4.18Å; V580-V634 HydrophobicContact CB-CG1 4.28Å; V580-V634 HydrophobicContact CG1-CG1 3.34Å; V580-V634 HydrophobicContact CG2-CG1 3.9Å
581A91.8Very high85.5Confident0 Ų053 Ų530%031%0.312CS..EExtended strand (participates in β ladder)trans-114.2124.617400000109.3V500 C504 S563 V564 F579V500-A581 HydrophobicContact CB-CB 4.25Å; V500-A581 HydrophobicContact CG1-CB 4.14Å; V500-A581 HydrophobicContact CG2-CB 4.07Å; C504-A581 HydrophobicContact CB-CB 3.98Å; C504-A581 PolarHBondContact SG-O 3.29Å; S563-A581 CarbonylContact C-O 3.53Å; S563-A581 VanDerWaalsContact CA-O 3.28Å; S563-A581 WeakPolarHBondContact CA-O 3.5Å; V564-A581 PolarHBondContact N-O 3.39Å; V564-A581 PolarHBondContact O-N 2.93Å; F579-A581 HydrophobicContact CD2-CB 4.38Å; F579-A581 HydrophobicContact CE2-CB 4.09Å
582V92.2Very high85.8Confident0 Ų050.5 Ų50.50%029%0.289CS..EExtended strand (participates in β ladder)trans-125135.5-179.2-170.80000109.5M562 V580 L589 V618 L638M562-V582 WeakPolarHBondContact O-CA 3.45Å; M562-V582 WeakPolarHBondContact O-CG1 3.48Å; V580-V582 HydrophobicContact CG1-CG2 3.77Å; V582-L589 HydrophobicContact CG1-CD2 3.87Å; V582-V618 HydrophobicContact CB-CB 4.3Å; V582-V618 PolarHBondContact N-O 3.3Å; V582-V618 PolarHBondContact O-N 3.06Å; V582-V618 VanDerWaalsContact O-O 3.12Å; V582-L638 HydrophobicContact CB-CD1 4.01Å; V582-L638 HydrophobicContact CG1-CD1 4.2Å; V582-L638 HydrophobicContact CG2-CD1 3.68Å; V582-L638 HydrophobicContact CG2-CD2 4.05Å
583K91.6Very high86Confident17 Ų1747.5 Ų47.57%0.07425%0.251CS..EExtended strand (participates in β ladder)trans-132.3147.3169.578.7-176.9-163.9-144.20110.9C504 E520 R561 M562 A616 L617C504-K583 HydrophobicContact CB-CD 4.4Å; C504-K583 WeakPolarHBondContact O-CD 3.36Å; C504-K583 WeakPolarHBondContact O-CE 3.14Å; C504-K583 PolarHBondContact O-NZ 3.5Å; E520-K583 VanDerWaalsContact CG-NZ 3.29Å; E520-K583 IonicContact OE1-NZ 2.71Å; E520-K583 PolarHBondContact OE1-NZ 3.32Å; R561-K583 WeakPolarHBondContact CA-O 3.45Å; M562-K583 HydrophobicContact CG-CD 4.12Å; M562-K583 HydrophobicContact CG-CG 3.51Å; M562-K583 PolarHBondContact N-O 2.95Å; M562-K583 PolarHBondContact O-N 2.95Å; M562-K583 HydrophobicContact SD-CD 4.07Å; M562-K583 WeakPolarHBondContact SD-CE 3.26Å; M562-K583 HydrophobicContact SD-CG 4.14Å; M562-K583 PolarHBondContact SD-NZ 3.39Å; K583-A616 WeakPolarHBondContact CA-O 3.18Å; K583-L617 HydrophobicContact CB-CD2 4.1Å
584G90.2Very high86.1Confident1 Ų148 Ų481%0.0125%0.254CS..EExtended strand (participates in β ladder)trans178.5-174.6-176.800000113.8Q560 L589 L615 A616Q560-G584 VanDerWaalsContact O-CA 3.24Å; Q560-G584 WeakPolarHBondContact O-CA 3.39Å; G584-L589 VanDerWaalsContact N-CD1 3.35Å; G584-L615 WeakPolarHBondContact O-CA 2.86Å; G584-A616 PolarHBondContact N-O 3.01Å; G584-A616 PolarHBondContact O-N 3.04Å
585S87.3Confident86.2Confident14 Ų1448.6 Ų48.610%0.09825%0.248CC..  trans-66.1137176.260.10000111.3Q560 E587 V588 L589Q560-S585 WeakPolarHBondContact CB-OG 3.47Å; Q560-S585 PolarHBondContact O-N 3.15Å; Q560-S585 PolarHBondContact OE1-OG 3.19Å; S585-E587 VanDerWaalsContact C-N 3.26Å; S585-E587 PolarHBondContact O-N 3.03Å; S585-V588 PolarHBondContact O-N 2.73Å; S585-V588 WeakPolarHBondContact OG-CB 3.2Å; S585-V588 VanDerWaalsContact OG-CG2 3.25Å; S585-V588 WeakPolarHBondContact OG-CG2 3.41Å; S585-L589 PolarHBondContact O-N 3.09Å; S585-L589 VanDerWaalsContact O-N 3.17Å
586P86.7Confident86.1Confident5 Ų546.7 Ų46.73%0.03225%0.245CC..Hα-helixtrans-54.2-41.5-179.5-27.835.6000113.4V588 L589 K590 Y600 Y604 V614 F643P586-V588 VanDerWaalsContact C-N 3.33Å; P586-V588 PolarHBondContact O-N 2.9Å; P586-L589 PolarHBondContact O-N 2.92Å; P586-K590 WeakPolarHBondContact O-CB 3.22Å; P586-K590 PolarHBondContact O-N 3.37Å; P586-Y600 VanDerWaalsContact CA-OH 3.25Å; P586-Y600 WeakPolarHBondContact CA-OH 3.47Å; P586-Y600 HydrophobicContact CB-CE1 4.02Å; P586-Y600 WeakPolarHBondContact CB-OH 3.27Å; P586-Y600 PolarHBondContact O-OH 2.88Å; P586-Y604 HydrophobicContact CB-CD1 3.64Å; P586-Y604 HydrophobicContact CB-CD2 4.08Å; P586-Y604 HydrophobicContact CB-CE1 3.9Å; P586-Y604 HydrophobicContact CB-CE2 4.38Å; P586-Y604 HydrophobicContact CB-CG 3.77Å; P586-Y604 HydrophobicContact CG-CD1 4.36Å; P586-Y604 HydrophobicContact CG-CD2 4.15Å; P586-Y604 HydrophobicContact CG-CG 4Å; P586-V614 HydrophobicContact CG-CG1 4.29Å; P586-F643 HydrophobicContact CB-CE1 4.06Å; P586-F643 HydrophobicContact CG-CD1 4.48Å; P586-F643 HydrophobicContact CG-CE1 3.98Å
587E83.1Confident86.1Confident72 Ų7244.3 Ų44.334%0.33624%0.237SC..Hα-helixtrans-65.3-31.5-17861.6-91.3-150.400113.8S585 R761S585-E587 VanDerWaalsContact C-N 3.26Å; S585-E587 PolarHBondContact O-N 3.03Å; E587-R761 IonicContact OE1-NH2 2.82Å
588V84.9Confident85.9Confident36 Ų3648.8 Ų48.822%0.21826%0.257CS..Hα-helixtrans-86.5-30.5-179.21750000111.9L559 Q560 S585 P586 P591L559-V588 WeakPolarHBondContact O-CG1 3.23Å; Q560-V588 HydrophobicContact CB-CG2 4.2Å; S585-V588 PolarHBondContact O-N 2.73Å; S585-V588 WeakPolarHBondContact OG-CB 3.2Å; S585-V588 VanDerWaalsContact OG-CG2 3.25Å; S585-V588 WeakPolarHBondContact OG-CG2 3.41Å; P586-V588 VanDerWaalsContact C-N 3.33Å; P586-V588 PolarHBondContact O-N 2.9Å; V588-P591 WeakPolarHBondContact O-CD 3.33Å; V588-P591 WeakPolarHBondContact O-CG 3.36Å
589L87.7Confident85.7Confident1 Ų150.1 Ų50.11%0.00527%0.269CS..Hα-helixtrans-83.5-30-178.3-71.4176.8000113.2R561 V582 G584 S585 P586 R592 F593 A616 V618R561-L589 HydrophobicContact CB-CD2 4.3Å; V582-L589 HydrophobicContact CG1-CD2 3.87Å; G584-L589 VanDerWaalsContact N-CD1 3.35Å; S585-L589 PolarHBondContact O-N 3.09Å; S585-L589 VanDerWaalsContact O-N 3.17Å; P586-L589 PolarHBondContact O-N 2.92Å; L589-R592 WeakPolarHBondContact O-CB 3.3Å; L589-R592 PolarHBondContact O-N 2.92Å; L589-F593 HydrophobicContact CB-CE1 3.79Å; L589-F593 HydrophobicContact CB-CZ 3.75Å; L589-F593 WeakPolarHBondContact O-CD1 3.29Å; L589-F593 WeakPolarHBondContact O-CE1 3.4Å; L589-A616 HydrophobicContact CD1-CB 3.86Å; L589-V618 HydrophobicContact CD1-CG2 3.82Å
590K85.2Confident85.6Confident78 Ų7849.7 Ų49.734%0.33927%0.267SS..G310 helixtrans-43.4-51.1176.7-173.3179.6-176.6-1800115.3P586 R592 F593 Y600 D601P586-K590 WeakPolarHBondContact O-CB 3.22Å; P586-K590 PolarHBondContact O-N 3.37Å; K590-R592 PolarHBondContact O-N 3.26Å; K590-R592 VanDerWaalsContact O-N 3.13Å; K590-F593 VanDerWaalsContact CA-CE2 3.5Å; K590-F593 HydrophobicContact CB-CE2 4.36Å; K590-F593 PolarHBondContact O-N 3.1Å; K590-Y600 HydrophobicContact CB-CE1 4.06Å; K590-Y600 HydrophobicContact CD-CD1 4.24Å; K590-Y600 HydrophobicContact CD-CE1 4.44Å; K590-Y600 HydrophobicContact CG-CD1 4.36Å; K590-Y600 HydrophobicContact CG-CE1 4.32Å; K590-D601 WeakPolarHBondContact CD-OD1 3.36Å; K590-D601 WeakPolarHBondContact CE-OD1 3.41Å; K590-D601 IonicContact NZ-OD1 2.74Å; K590-D601 PolarHBondContact NZ-OD1 2.91Å; K590-D601 IonicContact NZ-OD2 3.62Å; K590-D601 PolarHBondContact NZ-OD2 2.94Å
591P85.1Confident85.4Confident101 Ų10151.9 Ų51.966%0.65628%0.278SS*.G310 helixtrans-69.8-4.8-179.127.7-36.6000114.8V588V588-P591 WeakPolarHBondContact O-CD 3.33Å; V588-P591 WeakPolarHBondContact O-CG 3.36Å
592R85Confident85Confident78 Ų7858.2 Ų58.229%0.29431%0.308SS..G310 helixtrans-105-2.8-177-57.9-68.4174.6159.71.3113.4L589 K590 N636 G637 L638L589-R592 WeakPolarHBondContact O-CB 3.3Å; L589-R592 PolarHBondContact O-N 2.92Å; K590-R592 PolarHBondContact O-N 3.26Å; K590-R592 VanDerWaalsContact O-N 3.13Å; R592-N636 VanDerWaalsContact CD-OD1 3.28Å; R592-N636 WeakPolarHBondContact CD-OD1 3.1Å; R592-N636 PolarHBondContact NH1-OD1 2.67Å; R592-G637 PolarHBondContact O-N 3.35Å; R592-L638 PolarHBondContact O-N 2.91Å
593F83.6Confident84.7Confident24 Ų2459.9 Ų59.911%0.10532%0.318CS..BIsolated β-bridgetrans-74.8147.1179.6-58.5-28.6000112.2L589 K590 A596 Y600 V618 L638 F640L589-F593 HydrophobicContact CB-CE1 3.79Å; L589-F593 HydrophobicContact CB-CZ 3.75Å; L589-F593 WeakPolarHBondContact O-CD1 3.29Å; L589-F593 WeakPolarHBondContact O-CE1 3.4Å; K590-F593 VanDerWaalsContact CA-CE2 3.5Å; K590-F593 HydrophobicContact CB-CE2 4.36Å; K590-F593 PolarHBondContact O-N 3.1Å; F593-A596 HydrophobicContact CB-CB 4.49Å; F593-A596 HydrophobicContact CD2-CB 3.91Å; F593-Y600 HydrophobicContact CE2-CD2 4.15Å; F593-Y600 HydrophobicContact CE2-CE1 4.16Å; F593-Y600 AromaticContact CE2-CE2 3.46Å; F593-Y600 HydrophobicContact CE2-CE2 3.46Å; F593-Y600 VanDerWaalsContact CE2-CE2 3.46Å; F593-Y600 AromaticContact CE2-CZ 3.48Å; F593-Y600 VanDerWaalsContact CE2-CZ 3.48Å; F593-Y600 AromaticContact CZ-CE2 3.95Å; F593-Y600 HydrophobicContact CZ-CE2 3.95Å; F593-Y600 AromaticContact CZ-CZ 3.86Å; F593-Y600 WeakPolarHBondContact CZ-OH 3.29Å; F593-V618 HydrophobicContact CD1-CG1 3.98Å; F593-V618 HydrophobicContact CE1-CB 4.44Å; F593-V618 HydrophobicContact CE1-CG1 3.8Å; F593-V618 HydrophobicContact CE1-CG2 3.65Å; F593-V618 HydrophobicContact CZ-CG2 4.33Å; F593-L638 WeakPolarHBondContact CA-O 3.24Å; F593-F640 HydrophobicContact CE2-CD2 4.5Å; F593-F640 HydrophobicContact CZ-CD2 4.26Å
594V80.1Confident84.4Confident81 Ų8160.6 Ų60.649%0.49132%0.32SS..SBendtrans-71.1-46.9167.5-1760000110G637 L638V594-G637 WeakPolarHBondContact CG2-O 3.47Å; V594-L638 PolarHBondContact N-O 3.34Å
595N80Confident84.1Confident126 Ų12663 Ų6367%0.67433%0.331SS*.SBendtrans-136.6112.9175.9-66-49.7000109.4
596A78.8Confident84Confident51 Ų5165 Ų6542%0.42135%0.346SS..  trans-86.8136.5172.800000110.1F593F593-A596 HydrophobicContact CB-CB 4.49Å; F593-A596 HydrophobicContact CD2-CB 3.91Å
597P82.6Confident83.9Confident57 Ų5765.2 Ų65.237%0.3735%0.346SS..  trans-57.9144.5170.2-22.432000111.9N599 Y600 F640P597-N599 VanDerWaalsContact C-N 3.33Å; P597-N599 PolarHBondContact O-N 3.16Å; P597-Y600 HydrophobicContact CG-CD2 4.38Å; P597-Y600 WeakPolarHBondContact O-CB 3.23Å; P597-Y600 PolarHBondContact O-N 2.82Å; P597-F640 HydrophobicContact CG-CD1 3.62Å; P597-F640 HydrophobicContact CG-CE1 3.96Å; P597-F640 HydrophobicContact CG-CG 4.33Å
598E81.1Confident83.8Confident196 Ų19662.2 Ų62.292%0.91633%0.333SS*.THydrogen-bonded Turntrans-60.6-41.8-179.9-65.7-174.2168.200112Y600E598-Y600 VanDerWaalsContact C-N 3.27Å; E598-Y600 PolarHBondContact O-N 2.85Å
599N84.8Confident83.5Confident96 Ų9663.7 Ų63.751%0.51334%0.339SS..THydrogen-bonded Turntrans-87.213.6-179.2-62-5.5000113.5P597 D601 E602 V603P597-N599 VanDerWaalsContact C-N 3.33Å; P597-N599 PolarHBondContact O-N 3.16Å; N599-D601 VanDerWaalsContact C-N 3.35Å; N599-D601 PolarHBondContact O-N 2.85Å; N599-E602 PolarHBondContact O-N 3.18Å; N599-V603 HydrophobicContact CB-CG2 4.1Å; N599-V603 WeakPolarHBondContact O-CB 3.48Å; N599-V603 WeakPolarHBondContact O-CG2 3.41Å; N599-V603 PolarHBondContact O-N 2.81Å; N599-V603 VanDerWaalsContact O-N 3.08Å
600Y86.3Confident83.2Confident4 Ų470 Ų702%0.01637%0.369CS..Hα-helixtrans-53.6-49-173.6-178.2-92.5000112.8P586 K590 F593 P597 E598 Y604 A616 F640 F643P586-Y600 VanDerWaalsContact CA-OH 3.25Å; P586-Y600 WeakPolarHBondContact CA-OH 3.47Å; P586-Y600 HydrophobicContact CB-CE1 4.02Å; P586-Y600 WeakPolarHBondContact CB-OH 3.27Å; P586-Y600 PolarHBondContact O-OH 2.88Å; K590-Y600 HydrophobicContact CB-CE1 4.06Å; K590-Y600 HydrophobicContact CD-CD1 4.24Å; K590-Y600 HydrophobicContact CD-CE1 4.44Å; K590-Y600 HydrophobicContact CG-CD1 4.36Å; K590-Y600 HydrophobicContact CG-CE1 4.32Å; F593-Y600 HydrophobicContact CE2-CD2 4.15Å; F593-Y600 HydrophobicContact CE2-CE1 4.16Å; F593-Y600 AromaticContact CE2-CE2 3.46Å; F593-Y600 HydrophobicContact CE2-CE2 3.46Å; F593-Y600 VanDerWaalsContact CE2-CE2 3.46Å; F593-Y600 AromaticContact CE2-CZ 3.48Å; F593-Y600 VanDerWaalsContact CE2-CZ 3.48Å; F593-Y600 AromaticContact CZ-CE2 3.95Å; F593-Y600 HydrophobicContact CZ-CE2 3.95Å; F593-Y600 AromaticContact CZ-CZ 3.86Å; F593-Y600 WeakPolarHBondContact CZ-OH 3.29Å; P597-Y600 HydrophobicContact CG-CD2 4.38Å; P597-Y600 WeakPolarHBondContact O-CB 3.23Å; P597-Y600 PolarHBondContact O-N 2.82Å; E598-Y600 VanDerWaalsContact C-N 3.27Å; E598-Y600 PolarHBondContact O-N 2.85Å; Y600-Y604 HydrophobicContact CD1-CD1 4.03Å; Y600-Y604 HydrophobicContact CD1-CE1 4.1Å; Y600-Y604 AromaticContact CE1-CD1 3.92Å; Y600-Y604 HydrophobicContact CE1-CD1 3.92Å; Y600-Y604 HydrophobicContact CE1-CE1 4.02Å; Y600-Y604 WeakPolarHBondContact O-CD1 3.43Å; Y600-Y604 PolarHBondContact O-N 3.23Å; Y600-A616 VanDerWaalsContact OH-CB 3.3Å; Y600-A616 WeakPolarHBondContact OH-CB 3.4Å; Y600-F640 HydrophobicContact CD2-CD2 4.4Å; Y600-F640 HydrophobicContact CD2-CE2 4.19Å; Y600-F640 HydrophobicContact CD2-CZ 4.36Å; Y600-F640 AromaticContact CE2-CD2 3.78Å; Y600-F640 HydrophobicContact CE2-CD2 3.78Å; Y600-F640 AromaticContact CE2-CE2 3.58Å; Y600-F640 HydrophobicContact CE2-CE2 3.58Å; Y600-F640 HydrophobicContact CE2-CZ 4.15Å; Y600-F643 HydrophobicContact CD1-CZ 4.4Å; Y600-F643 HydrophobicContact CD2-CE1 4.36Å; Y600-F643 HydrophobicContact CD2-CE2 4.05Å; Y600-F643 AromaticContact CD2-CZ 3.46Å; Y600-F643 HydrophobicContact CD2-CZ 3.46Å; Y600-F643 VanDerWaalsContact CD2-CZ 3.46Å; Y600-F643 HydrophobicContact CE1-CE1 4.49Å; Y600-F643 HydrophobicContact CE1-CZ 4.13Å; Y600-F643 AromaticContact CE2-CE1 3.59Å; Y600-F643 HydrophobicContact CE2-CE1 3.59Å; Y600-F643 HydrophobicContact CE2-CE2 4.06Å; Y600-F643 AromaticContact CE2-CZ 3.13Å; Y600-F643 HydrophobicContact CE2-CZ 3.13Å; Y600-F643 HydrophobicContact CG-CZ 4.09Å; Y600-F643 AromaticContact CZ-CE1 3.66Å; Y600-F643 AromaticContact CZ-CZ 3.5Å
601D84.8Confident82.8Confident51 Ų5167 Ų6727%0.27336%0.359SS..Hα-helixtrans-67.2-44.6-177.8-67.8-8.9000112.4K590 N599 V603 Y604 E605K590-D601 WeakPolarHBondContact CD-OD1 3.36Å; K590-D601 WeakPolarHBondContact CE-OD1 3.41Å; K590-D601 IonicContact NZ-OD1 2.74Å; K590-D601 PolarHBondContact NZ-OD1 2.91Å; K590-D601 IonicContact NZ-OD2 3.62Å; K590-D601 PolarHBondContact NZ-OD2 2.94Å; N599-D601 VanDerWaalsContact C-N 3.35Å; N599-D601 PolarHBondContact O-N 2.85Å; D601-V603 VanDerWaalsContact C-N 3.32Å; D601-V603 PolarHBondContact O-N 3.19Å; D601-Y604 VanDerWaalsContact CA-CE1 3.45Å; D601-Y604 HydrophobicContact CB-CE1 4.14Å; D601-E605 VanDerWaalsContact O-CB 3.23Å; D601-E605 WeakPolarHBondContact O-CB 3.37Å; D601-E605 WeakPolarHBondContact O-CG 3.24Å; D601-E605 PolarHBondContact O-N 3.15Å
602E84.3Confident82.7Confident134 Ų13462.5 Ų62.563%0.62633%0.331SS*.Hα-helixtrans-62.9-41.5-177.1-61.3-175.2169.600111.5N599 S606N599-E602 PolarHBondContact O-N 3.18Å; E602-S606 WeakPolarHBondContact O-CB 3.22Å; E602-S606 PolarHBondContact O-N 3.13Å; E602-S606 PolarHBondContact O-OG 3.08Å
603V86.5Confident82.7Confident35 Ų3561.7 Ų61.721%0.21233%0.328CS..Hα-helixtrans-68.2-48.7-177170.50000111.9H483 N599 D601 S606 M607 F643H483-V603 VanDerWaalsContact NE2-CG1 3.34Å; H483-V603 WeakPolarHBondContact NE2-CG1 3.24Å; N599-V603 HydrophobicContact CB-CG2 4.1Å; N599-V603 WeakPolarHBondContact O-CB 3.48Å; N599-V603 WeakPolarHBondContact O-CG2 3.41Å; N599-V603 PolarHBondContact O-N 2.81Å; N599-V603 VanDerWaalsContact O-N 3.08Å; D601-V603 VanDerWaalsContact C-N 3.32Å; D601-V603 PolarHBondContact O-N 3.19Å; V603-S606 PolarHBondContact O-OG 3.13Å; V603-M607 HydrophobicContact CG1-CE 3.42Å; V603-M607 VanDerWaalsContact CG1-CE 3.42Å; V603-M607 HydrophobicContact CG1-SD 4.29Å; V603-M607 WeakPolarHBondContact O-CG 3.45Å; V603-M607 PolarHBondContact O-N 3.39Å; V603-F643 HydrophobicContact CG1-CD2 4.16Å; V603-F643 HydrophobicContact CG1-CE2 4.11Å
604Y85.4Confident83Confident31 Ų3161.1 Ų61.112%0.12233%0.326CS..Hα-helixtrans-72.1-34179.584.6-108.2000111.2P586 Y600 D601 M607 T608 F643P586-Y604 HydrophobicContact CB-CD1 3.64Å; P586-Y604 HydrophobicContact CB-CD2 4.08Å; P586-Y604 HydrophobicContact CB-CE1 3.9Å; P586-Y604 HydrophobicContact CB-CE2 4.38Å; P586-Y604 HydrophobicContact CB-CG 3.77Å; P586-Y604 HydrophobicContact CG-CD1 4.36Å; P586-Y604 HydrophobicContact CG-CD2 4.15Å; P586-Y604 HydrophobicContact CG-CG 4Å; Y600-Y604 HydrophobicContact CD1-CD1 4.03Å; Y600-Y604 HydrophobicContact CD1-CE1 4.1Å; Y600-Y604 AromaticContact CE1-CD1 3.92Å; Y600-Y604 HydrophobicContact CE1-CD1 3.92Å; Y600-Y604 HydrophobicContact CE1-CE1 4.02Å; Y600-Y604 WeakPolarHBondContact O-CD1 3.43Å; Y600-Y604 PolarHBondContact O-N 3.23Å; D601-Y604 VanDerWaalsContact CA-CE1 3.45Å; D601-Y604 HydrophobicContact CB-CE1 4.14Å; Y604-M607 PolarHBondContact O-N 3.24Å; Y604-T608 WeakPolarHBondContact O-CB 3.49Å; Y604-T608 PolarHBondContact O-N 2.93Å; Y604-T608 PolarHBondContact O-OG1 3.41Å; Y604-F643 HydrophobicContact CD1-CZ 4.22Å; Y604-F643 HydrophobicContact CG-CZ 4.45Å
605E83.2Confident83.4Confident51 Ų5159 Ų5924%0.23831%0.312CS..Hα-helixtrans-63.5-43.8176.2-76.8-175.8172.400110.7D601 M607 T608 L609 K714D601-E605 VanDerWaalsContact O-CB 3.23Å; D601-E605 WeakPolarHBondContact O-CB 3.37Å; D601-E605 WeakPolarHBondContact O-CG 3.24Å; D601-E605 PolarHBondContact O-N 3.15Å; E605-M607 PolarHBondContact O-N 3.06Å; E605-T608 PolarHBondContact O-N 2.85Å; E605-L609 WeakPolarHBondContact O-CB 3.37Å; E605-L609 VanDerWaalsContact O-CG 3.26Å; E605-L609 WeakPolarHBondContact O-CG 3.36Å; E605-L609 PolarHBondContact O-N 3.26Å; E605-K714 IonicContact OE1-NZ 3.76Å; E605-K714 PolarHBondContact OE1-NZ 3.38Å; E605-K714 IonicContact OE2-NZ 3.49Å; E605-K714 PolarHBondContact OE2-NZ 3.36Å
606S84.1Confident84Confident57 Ų5753 Ų5340%0.39928%0.28SS..Hα-helixtrans-61.6-42.7177.372.70000112.1E602 V603 L609 E610E602-S606 WeakPolarHBondContact O-CB 3.22Å; E602-S606 PolarHBondContact O-N 3.13Å; E602-S606 PolarHBondContact O-OG 3.08Å; V603-S606 PolarHBondContact O-OG 3.13Å; S606-L609 WeakPolarHBondContact O-CB 3.31Å; S606-L609 PolarHBondContact O-N 2.98Å; S606-E610 PolarHBondContact O-N 2.8Å
607M84.8Confident84.6Confident9 Ų950.5 Ų50.54%0.04426%0.26CS..Hα-helixtrans-68.5-36.2176.3-68171.9-167.200112.7H483 V603 Y604 E605 L609 E610 A612 V614 I645H483-M607 HydrophobicContact CB-CE 3.69Å; H483-M607 HydrophobicContact CB-SD 4.35Å; H483-M607 VanDerWaalsContact CD2-CE 3.47Å; H483-M607 WeakPolarHBondContact CD2-CE 3.26Å; H483-M607 WeakPolarHBondContact ND1-CE 3.41Å; V603-M607 HydrophobicContact CG1-CE 3.42Å; V603-M607 VanDerWaalsContact CG1-CE 3.42Å; V603-M607 HydrophobicContact CG1-SD 4.29Å; V603-M607 WeakPolarHBondContact O-CG 3.45Å; V603-M607 PolarHBondContact O-N 3.39Å; Y604-M607 PolarHBondContact O-N 3.24Å; E605-M607 PolarHBondContact O-N 3.06Å; M607-L609 VanDerWaalsContact C-N 3.31Å; M607-E610 WeakPolarHBondContact O-CB 3.36Å; M607-E610 PolarHBondContact O-N 3.05Å; M607-A612 WeakPolarHBondContact O-CB 3.48Å; M607-A612 PolarHBondContact O-N 3.48Å; M607-V614 HydrophobicContact CB-CG2 3.68Å; M607-I645 HydrophobicContact CE-CD1 4.11Å; M607-I645 HydrophobicContact CG-CD1 4.25Å; M607-I645 HydrophobicContact SD-CD1 3.51Å; M607-I645 VanDerWaalsContact SD-CD1 3.51Å; M607-I645 HydrophobicContact SD-CG1 3.89Å
608T81.4Confident85Confident9 Ų947.8 Ų47.86%0.05524%0.242CC..Hα-helixtrans-70.2-32.5176.7-49.70000110.9Y604 E605 E610 G611 L678 T679Y604-T608 WeakPolarHBondContact O-CB 3.49Å; Y604-T608 PolarHBondContact O-N 2.93Å; Y604-T608 PolarHBondContact O-OG1 3.41Å; E605-T608 PolarHBondContact O-N 2.85Å; T608-E610 VanDerWaalsContact C-N 3.3Å; T608-E610 PolarHBondContact O-N 3.34Å; T608-G611 WeakPolarHBondContact O-CA 3.36Å; T608-G611 PolarHBondContact O-N 3.29Å; T608-L678 HydrophobicContact CG2-CB 3.7Å; T608-L678 HydrophobicContact CG2-CD1 3.91Å; T608-L678 HydrophobicContact CG2-CG 4.41Å; T608-T679 HydrophobicContact CG2-CG2 3.74Å
609L79.5Confident85.4Confident67 Ų6739.5 Ų39.535%0.35121%0.205SC..Hα-helixtrans-65.4-30.4171.8-76.4168.7000112.7E605 S606 M607 G611 L678 H682 L712E605-L609 WeakPolarHBondContact O-CB 3.37Å; E605-L609 VanDerWaalsContact O-CG 3.26Å; E605-L609 WeakPolarHBondContact O-CG 3.36Å; E605-L609 PolarHBondContact O-N 3.26Å; S606-L609 WeakPolarHBondContact O-CB 3.31Å; S606-L609 PolarHBondContact O-N 2.98Å; M607-L609 VanDerWaalsContact C-N 3.31Å; L609-G611 PolarHBondContact O-N 2.98Å; L609-L678 HydrophobicContact CD2-CD2 3.97Å; L609-H682 PolarHBondContact O-CD2 3.21Å; L609-L712 HydrophobicContact CD2-CB 4.41Å; L609-L712 HydrophobicContact CD2-CD2 4.45Å
610E81Confident85.5Confident135 Ų13535.7 Ų35.763%0.63119%0.187SC*.THydrogen-bonded Turntrans-74.94168.9-66.6179.1177.600113.1S606 M607 T608 A612 H682S606-E610 PolarHBondContact O-N 2.8Å; M607-E610 WeakPolarHBondContact O-CB 3.36Å; M607-E610 PolarHBondContact O-N 3.05Å; T608-E610 VanDerWaalsContact C-N 3.3Å; T608-E610 PolarHBondContact O-N 3.34Å; E610-A612 VanDerWaalsContact C-N 3.32Å; E610-A612 PolarHBondContact O-N 3.22Å; E610-H682 VanDerWaalsContact C-CD2 3.43Å; E610-H682 PolarHBondContact O-CE1 2.82Å; E610-H682 VanDerWaalsContact O-CE1 3.26Å; E610-H682 PolarHBondContact O-NE2 3.18Å
611G76.1Confident85.4Confident13 Ų1341 Ų4113%0.13423%0.225CC..THydrogen-bonded Turntrans82.25.4175.300000114.8T608 L609 H682T608-G611 WeakPolarHBondContact O-CA 3.36Å; T608-G611 PolarHBondContact O-N 3.29Å; L609-G611 PolarHBondContact O-N 2.98Å; G611-H682 VanDerWaalsContact CA-CG 3.46Å
612A83.9Confident84.7Confident8 Ų839.7 Ų39.77%0.06622%0.221CC..  trans-73.9146.7174.600000111.7M607 E610 I645M607-A612 WeakPolarHBondContact O-CB 3.48Å; M607-A612 PolarHBondContact O-N 3.48Å; E610-A612 VanDerWaalsContact C-N 3.32Å; E610-A612 PolarHBondContact O-N 3.22Å; A612-I645 HydrophobicContact CB-CG2 3.46Å; A612-I645 VanDerWaalsContact CB-CG2 3.46Å
613R85.5Confident83.6Confident61 Ų6141.1 Ų41.123%0.2323%0.232CC..EExtended strand (participates in β ladder)trans-81.9118.4162.3-71.6-176.4174.6173.81.5107.9I646 D675R613-I646 HydrophobicContact CB-CB 4.24Å; R613-I646 PolarHBondContact N-O 3.1Å; R613-I646 PolarHBondContact O-N 3.32Å; R613-D675 IonicContact CZ-OD1 3.87Å; R613-D675 IonicContact NE-OD1 2.68Å; R613-D675 IonicContact NH2-OD1 3.38Å; R613-D675 PolarHBondContact NH2-OD1 3.21Å; R613-D675 IonicContact NH2-OD2 3.39Å; R613-D675 PolarHBondContact NH2-OD2 3Å
614V88.4Confident82.4Confident12 Ų1248.1 Ų48.17%0.07326%0.255CS..EExtended strand (participates in β ladder)trans-106.5127.9-179.9-1730000109P586 M607 F643 V644P586-V614 HydrophobicContact CG-CG1 4.29Å; M607-V614 HydrophobicContact CB-CG2 3.68Å; V614-F643 HydrophobicContact CG1-CB 3.82Å; V614-F643 HydrophobicContact CG1-CD1 3.51Å; V614-F643 HydrophobicContact CG1-CE1 4.24Å; V614-F643 HydrophobicContact CG1-CG 3.83Å; V614-V644 WeakPolarHBondContact CA-O 3.41Å
615L89.7Confident81.3Confident35 Ų3555.1 Ų55.118%0.18329%0.289CS..EExtended strand (participates in β ladder)trans-119.1135.8168-58.9172.6000109.2L519 G584 F643 V644 I646L519-L615 HydrophobicContact CD1-CD1 3.99Å; L519-L615 HydrophobicContact CD2-CD1 3.83Å; G584-L615 WeakPolarHBondContact O-CA 2.86Å; L615-F643 CarbonylContact O-C 3.57Å; L615-F643 WeakPolarHBondContact O-CA 3.37Å; L615-V644 HydrophobicContact CB-CG1 3.65Å; L615-V644 HydrophobicContact CD1-CG1 4.32Å; L615-V644 HydrophobicContact CG-CG1 4.37Å; L615-V644 PolarHBondContact N-O 3.15Å; L615-V644 VanDerWaalsContact N-O 3.13Å; L615-V644 PolarHBondContact O-N 2.95Å; L615-I646 HydrophobicContact CD1-CD1 4.27Å
616A91.8Very high80.4Confident0 Ų053.4 Ų53.40%028%0.281CS..EExtended strand (participates in β ladder)trans-77.5133171.700000110K583 G584 L589 Y600 F640 F643K583-A616 WeakPolarHBondContact CA-O 3.18Å; G584-A616 PolarHBondContact N-O 3.01Å; G584-A616 PolarHBondContact O-N 3.04Å; L589-A616 HydrophobicContact CD1-CB 3.86Å; Y600-A616 VanDerWaalsContact OH-CB 3.3Å; Y600-A616 WeakPolarHBondContact OH-CB 3.4Å; A616-F640 HydrophobicContact CB-CE2 4.48Å; A616-F643 HydrophobicContact CB-CD1 4.08Å; A616-F643 HydrophobicContact CB-CE1 3.91Å
617L92Very high79.3Confident0 Ų062.4 Ų62.40%031%0.306CS..EExtended strand (participates in β ladder)trans-104.8129.8175.1-55177.7000108.9V482 V500 L501 K583 V641 G642 V644V482-L617 HydrophobicContact CG1-CD1 4.17Å; V482-L617 HydrophobicContact CG2-CD1 4.46Å; V500-L617 HydrophobicContact CG1-CB 4.09Å; V500-L617 HydrophobicContact CG1-CD2 4.01Å; L501-L617 HydrophobicContact CD1-CD1 3.82Å; L501-L617 HydrophobicContact CD2-CD1 3.98Å; L501-L617 HydrophobicContact CD2-CD2 3.58Å; L501-L617 HydrophobicContact CD2-CG 4.41Å; L501-L617 HydrophobicContact CG-CD1 3.66Å; L501-L617 HydrophobicContact CG-CD2 4Å; L501-L617 HydrophobicContact CG-CG 4.49Å; K583-L617 HydrophobicContact CB-CD2 4.1Å; L617-V641 PolarHBondContact O-N 2.98Å; L617-G642 WeakPolarHBondContact CA-O 3.43Å; L617-G642 VanDerWaalsContact CB-O 3.32Å; L617-G642 WeakPolarHBondContact CB-O 3.3Å; L617-G642 PolarHBondContact N-O 2.9Å; L617-G642 PolarHBondContact O-N 2.83Å; L617-V644 HydrophobicContact CD1-CB 4.16Å; L617-V644 HydrophobicContact CD2-CB 4.38Å; L617-V644 HydrophobicContact CD2-CG1 3.93Å; L617-V644 HydrophobicContact CG-CB 4.36Å; L617-V644 HydrophobicContact CG-CG1 4.3Å
618V90.8Very high78.4Confident0 Ų069.4 Ų69.40%034%0.344CS..EExtended strand (participates in β ladder)trans-141.7140-171.1-150.60000108.4V500 V582 L589 F593 L638 D639V500-V618 WeakPolarHBondContact CG2-O 3.46Å; V582-V618 HydrophobicContact CB-CB 4.3Å; V582-V618 PolarHBondContact N-O 3.3Å; V582-V618 PolarHBondContact O-N 3.06Å; V582-V618 VanDerWaalsContact O-O 3.12Å; L589-V618 HydrophobicContact CD1-CG2 3.82Å; F593-V618 HydrophobicContact CD1-CG1 3.98Å; F593-V618 HydrophobicContact CE1-CB 4.44Å; F593-V618 HydrophobicContact CE1-CG1 3.8Å; F593-V618 HydrophobicContact CE1-CG2 3.65Å; F593-V618 HydrophobicContact CZ-CG2 4.33Å; V618-L638 HydrophobicContact CB-CB 4.3Å; V618-L638 HydrophobicContact CB-CD1 4.41Å; V618-L638 HydrophobicContact CG1-CB 3.28Å; V618-L638 HydrophobicContact CG1-CD1 4.14Å; V618-L638 HydrophobicContact CG1-CG 4.33Å; V618-D639 WeakPolarHBondContact CA-O 3.44Å; V618-D639 VanDerWaalsContact CG1-C 3.47Å; V618-D639 WeakPolarHBondContact CG1-O 3.42Å
619S89.7Confident78Confident21 Ų2171.5 Ų71.515%0.14735%0.354CS..EExtended strand (participates in β ladder)trans-133153.2177.377.40000110.8V580 D639 V641V580-S619 CarbonylContact O-C 3.54Å; V580-S619 VanDerWaalsContact O-CA 3.25Å; V580-S619 WeakPolarHBondContact O-CA 3.46Å; S619-D639 PolarHBondContact N-O 2.84Å; S619-D639 WeakPolarHBondContact O-CB 3.18Å; S619-D639 PolarHBondContact O-N 3.34Å; S619-V641 VanDerWaalsContact OG-CG2 3.3Å; S619-V641 WeakPolarHBondContact OG-CG2 3.46Å
620A87.5Confident78Confident16 Ų1671.9 Ų71.913%0.13236%0.359CS..EExtended strand (participates in β ladder)trans-140.7141.9168.300000109.4F579 V580 L638F579-A620 CarbonylContact C-O 3.14Å; F579-A620 WeakPolarHBondContact CA-O 3.22Å; V580-A620 HydrophobicContact CB-CB 4.41Å; V580-A620 PolarHBondContact N-O 3.17Å; V580-A620 PolarHBondContact O-N 2.85Å; A620-L638 HydrophobicContact CB-CD2 3.66Å
621S82.8Confident78.1Confident115 Ų11567.6 Ų67.680%0.80434%0.337SS*.EExtended strand (participates in β ladder)trans-82.4128.2173-63.60000109.3
622A70.3Confident78.4Confident24 Ų2471.3 Ų71.320%0.19835%0.354CS..EExtended strand (participates in β ladder)trans-106.3134.7179.900000111.2Y578 V580 I626Y578-A622 PolarHBondContact O-N 2.98Å; Y578-A622 VanDerWaalsContact O-N 3.14Å; V580-A622 HydrophobicContact CG2-CB 4.18Å; A622-I626 HydrophobicContact CB-CD1 4.35Å; A622-I626 HydrophobicContact CB-CG1 4.18Å
623L61Low78.3Confident164 Ų16476.1 Ų76.186%0.85938%0.375SS*.  trans-78.6152.6167.1-76.1149000109.4E625L623-E625 PolarHBondContact O-N 3.47Å
624R61.7Low78.1Confident183 Ų18373.4 Ų73.469%0.69137%0.365SS*.SBendtrans-43.1-14.4-161-70.3-177.5174.8-168.6-1.7119.3D575 I626D575-R624 IonicContact OD1-NH2 3.26Å; D575-R624 PolarHBondContact OD1-NH2 2.99Å; R624-I626 PolarHBondContact O-N 3.34Å
625E62.5Low78Confident178 Ų17872.9 Ų72.983%0.83236%0.362SS*.  trans-85.359.3-170.8-66.6-173.616800114.6L623 M629L623-E625 PolarHBondContact O-N 3.47Å; E625-M629 WeakPolarHBondContact O-CG 3.46Å
626I63.6Low77.7Confident14 Ų1475 Ų757%0.07237%0.374CS..  trans-99.3-23.3-161.5-61.8151.9000114.5I565 Y578 A622 R624 D628I565-I626 HydrophobicContact CB-CG2 4.22Å; I565-I626 HydrophobicContact CD1-CG2 3.53Å; I565-I626 HydrophobicContact CG1-CG2 3.95Å; I565-I626 HydrophobicContact CG2-CG2 3.34Å; Y578-I626 HydrophobicContact CD1-CD1 3.32Å; Y578-I626 HydrophobicContact CD2-CD1 3.46Å; Y578-I626 VanDerWaalsContact CD2-CD1 3.46Å; Y578-I626 HydrophobicContact CE1-CD1 3.98Å; Y578-I626 HydrophobicContact CE2-CD1 4.1Å; Y578-I626 HydrophobicContact CG-CD1 3.01Å; A622-I626 HydrophobicContact CB-CD1 4.35Å; A622-I626 HydrophobicContact CB-CG1 4.18Å; R624-I626 PolarHBondContact O-N 3.34Å; I626-D628 VanDerWaalsContact C-N 3.29Å; I626-D628 PolarHBondContact O-N 3.15Å
627R60.5Low77.3Confident246 Ų24677.1 Ų77.193%0.92840%0.395SS*.THydrogen-bonded Turntrans-69.2-24.6-170.1-82.7-173.6169.9-174.2-2.4114.3
628D67.6Low77Confident156 Ų15677.2 Ų77.283%0.83440%0.395SS*.THydrogen-bonded Turntrans-111.35.8-174.9-61.6-35.4000113.4I626I626-D628 VanDerWaalsContact C-N 3.29Å; I626-D628 PolarHBondContact O-N 3.15Å
629M72.2Confident76.9Confident54 Ų5481.1 Ų81.127%0.26642%0.417SS..  trans-67137.9177.8-66.6-175.370.400111.3Y553 E625 E633 V634Y553-M629 PolarHBondContact OH-O 3.48Å; E625-M629 WeakPolarHBondContact O-CG 3.46Å; M629-E633 HydrophobicContact CE-CB 3.97Å; M629-V634 HydrophobicContact CB-CG2 3.63Å; M629-V634 HydrophobicContact CE-CG2 3.79Å; M629-V634 HydrophobicContact CG-CG2 4.48Å; M629-V634 HydrophobicContact SD-CG2 4.1Å
630T79.5Confident77Confident75 Ų7582.3 Ų82.346%0.4642%0.419SS..  trans-78156.9171.563.10000110.9D632 E633 V634T630-D632 PolarHBondContact O-N 3.47Å; T630-E633 PolarHBondContact N-OE2 2.88Å; T630-E633 PolarHBondContact O-N 3.14Å; T630-E633 VanDerWaalsContact O-N 3.17Å; T630-E633 VanDerWaalsContact OG1-CG 3.22Å; T630-E633 WeakPolarHBondContact OG1-CG 3.4Å; T630-E633 PolarHBondContact OG1-N 3.41Å; T630-E633 PolarHBondContact OG1-OE2 3.5Å; T630-V634 WeakPolarHBondContact O-CG2 3.38Å; T630-V634 PolarHBondContact O-N 2.97Å; T630-V634 VanDerWaalsContact O-N 3.08Å
631R82.2Confident77Confident45 Ų4582.5 Ų82.517%0.1742%0.419CS..Hα-helixtrans-55.2-40.7178.8-178.1175.6178152.97.9112.4Y553 H554 L559 R561 V634 E635Y553-R631 HydrophobicContact CD1-CB 3.85Å; Y553-R631 HydrophobicContact CD1-CG 3.97Å; Y553-R631 HydrophobicContact CE1-CB 3.87Å; Y553-R631 HydrophobicContact CE1-CG 4.45Å; Y553-R631 HydrophobicContact CG-CB 4.44Å; Y553-R631 HydrophobicContact CG-CG 4.14Å; H554-R631 PolarHBondContact O-NH1 3.06Å; L559-R631 VanDerWaalsContact CD1-CZ 3.43Å; R561-R631 PolarHBondContact O-NH2 3.41Å; R631-V634 PolarHBondContact O-N 2.8Å; R631-E635 HydrophobicContact CG-CG 4.37Å; R631-E635 WeakPolarHBondContact CG-OE1 3.31Å; R631-E635 IonicContact CZ-OE1 3.61Å; R631-E635 IonicContact NE-OE1 2.68Å; R631-E635 PolarHBondContact NE-OE1 3.3Å; R631-E635 IonicContact NE-OE2 2.99Å; R631-E635 IonicContact NH2-OE1 3.31Å; R631-E635 PolarHBondContact NH2-OE1 3.33Å; R631-E635 WeakPolarHBondContact O-CB 3.44Å; R631-E635 VanDerWaalsContact O-CG 3.23Å; R631-E635 WeakPolarHBondContact O-CG 3.39Å; R631-E635 PolarHBondContact O-N 3.3Å
632D82.3Confident77.3Confident91 Ų9177 Ų7749%0.48738%0.38SS..Hα-helixtrans-70.7-34.1-179-73.7-37.7000112.5R561 T630 E635 N636R561-D632 IonicContact NH2-OD1 3.92Å; T630-D632 PolarHBondContact O-N 3.47Å; D632-E635 PolarHBondContact O-N 2.81Å; D632-N636 WeakPolarHBondContact O-CB 3.45Å; D632-N636 PolarHBondContact O-N 2.94Å; D632-N636 PolarHBondContact O-ND2 3.38Å
633E82.3Confident78.4Confident109 Ų10976.1 Ų76.151%0.50937%0.372SS..Hα-helixtrans-66.9-40173.5-72.5162.3164.400111.7M629 T630 E635M629-E633 HydrophobicContact CE-CB 3.97Å; T630-E633 PolarHBondContact N-OE2 2.88Å; T630-E633 PolarHBondContact O-N 3.14Å; T630-E633 VanDerWaalsContact O-N 3.17Å; T630-E633 VanDerWaalsContact OG1-CG 3.22Å; T630-E633 WeakPolarHBondContact OG1-CG 3.4Å; T630-E633 PolarHBondContact OG1-N 3.41Å; T630-E633 PolarHBondContact OG1-OE2 3.5Å; E633-E635 VanDerWaalsContact C-N 3.3Å; E633-E635 PolarHBondContact O-N 2.61Å
634V81.7Confident79.8Confident4 Ų468.3 Ų68.32%0.02433%0.331CS..Hα-helixtrans-67.1-31.7177.1174.60000111.8Y553 I565 V580 M629 T630 R631 L638Y553-V634 HydrophobicContact CD2-CG1 4.43Å; Y553-V634 HydrophobicContact CE2-CB 4.21Å; Y553-V634 HydrophobicContact CE2-CG1 4.06Å; Y553-V634 HydrophobicContact CE2-CG2 3.96Å; I565-V634 HydrophobicContact CD1-CG2 4.33Å; I565-V634 HydrophobicContact CG1-CG1 4.5Å; V580-V634 HydrophobicContact CB-CG1 4.28Å; V580-V634 HydrophobicContact CG1-CG1 3.34Å; V580-V634 HydrophobicContact CG2-CG1 3.9Å; M629-V634 HydrophobicContact CB-CG2 3.63Å; M629-V634 HydrophobicContact CE-CG2 3.79Å; M629-V634 HydrophobicContact CG-CG2 4.48Å; M629-V634 HydrophobicContact SD-CG2 4.1Å; T630-V634 WeakPolarHBondContact O-CG2 3.38Å; T630-V634 PolarHBondContact O-N 2.97Å; T630-V634 VanDerWaalsContact O-N 3.08Å; R631-V634 PolarHBondContact O-N 2.8Å; V634-L638 WeakPolarHBondContact O-CD2 3.32Å
635E85.8Confident81.2Confident1 Ų160 Ų601%0.00530%0.3CS..THydrogen-bonded Turntrans-92.75.2-175.8-69.1175.1167.400113.8R561 S563 R631 D632 E633 L638R561-E635 IonicContact CZ-OE2 4Å; R561-E635 VanDerWaalsContact NE-CD 3.32Å; R561-E635 IonicContact NE-OE1 3.77Å; R561-E635 IonicContact NE-OE2 3.73Å; R561-E635 PolarHBondContact NE-OE2 3.3Å; R561-E635 IonicContact NH2-OE2 3.59Å; R561-E635 PolarHBondContact NH2-OE2 2.89Å; S563-E635 PolarHBondContact OG-OE1 3Å; R631-E635 HydrophobicContact CG-CG 4.37Å; R631-E635 WeakPolarHBondContact CG-OE1 3.31Å; R631-E635 IonicContact CZ-OE1 3.61Å; R631-E635 IonicContact NE-OE1 2.68Å; R631-E635 PolarHBondContact NE-OE1 3.3Å; R631-E635 IonicContact NE-OE2 2.99Å; R631-E635 IonicContact NH2-OE1 3.31Å; R631-E635 PolarHBondContact NH2-OE1 3.33Å; R631-E635 WeakPolarHBondContact O-CB 3.44Å; R631-E635 VanDerWaalsContact O-CG 3.23Å; R631-E635 WeakPolarHBondContact O-CG 3.39Å; R631-E635 PolarHBondContact O-N 3.3Å; D632-E635 PolarHBondContact O-N 2.81Å; E633-E635 VanDerWaalsContact C-N 3.3Å; E633-E635 PolarHBondContact O-N 2.61Å; E635-L638 WeakPolarHBondContact O-CD1 3.41Å
636N83.4Confident82.3Confident80 Ų8051.5 Ų51.543%0.42826%0.261SS..SBendtrans-106136.7-179.8-82.3-30.4000112.6R592 D632R592-N636 VanDerWaalsContact CD-OD1 3.28Å; R592-N636 WeakPolarHBondContact CD-OD1 3.1Å; R592-N636 PolarHBondContact NH1-OD1 2.67Å; D632-N636 WeakPolarHBondContact O-CB 3.45Å; D632-N636 PolarHBondContact O-N 2.94Å; D632-N636 PolarHBondContact O-ND2 3.38Å
637G83.3Confident83.4Confident44 Ų4452.9 Ų52.945%0.45427%0.272SS..SBendtrans75.252.8173.600000113R592 V594R592-G637 PolarHBondContact O-N 3.35Å; V594-G637 WeakPolarHBondContact CG2-O 3.47Å
638L86.3Confident84.4Confident1 Ų142 Ų421%0.00523%0.233CC..BIsolated β-bridgetrans-102.7150.8-173.4-54.2169.8000112.6V582 R592 F593 V594 V618 A620 V634 E635V582-L638 HydrophobicContact CB-CD1 4.01Å; V582-L638 HydrophobicContact CG1-CD1 4.2Å; V582-L638 HydrophobicContact CG2-CD1 3.68Å; V582-L638 HydrophobicContact CG2-CD2 4.05Å; R592-L638 PolarHBondContact O-N 2.91Å; F593-L638 WeakPolarHBondContact CA-O 3.24Å; V594-L638 PolarHBondContact N-O 3.34Å; V618-L638 HydrophobicContact CB-CB 4.3Å; V618-L638 HydrophobicContact CB-CD1 4.41Å; V618-L638 HydrophobicContact CG1-CB 3.28Å; V618-L638 HydrophobicContact CG1-CD1 4.14Å; V618-L638 HydrophobicContact CG1-CG 4.33Å; A620-L638 HydrophobicContact CB-CD2 3.66Å; V634-L638 WeakPolarHBondContact O-CD2 3.32Å; E635-L638 WeakPolarHBondContact O-CD1 3.41Å
639D89.3Confident85.3Confident83 Ų8337 Ų3744%0.44421%0.209SC..EExtended strand (participates in β ladder)trans-96.4127177-63.6-43.4000111.3V618 S619 V641V618-D639 WeakPolarHBondContact CA-O 3.44Å; V618-D639 VanDerWaalsContact CG1-C 3.47Å; V618-D639 WeakPolarHBondContact CG1-O 3.42Å; S619-D639 PolarHBondContact N-O 2.84Å; S619-D639 WeakPolarHBondContact O-CB 3.18Å; S619-D639 PolarHBondContact O-N 3.34Å; D639-V641 WeakPolarHBondContact O-CG2 3.24Å
640F90.3Very high86Confident46 Ų4636.5 Ų36.520%0.20221%0.207CC..EExtended strand (participates in β ladder)trans-69.2130.9177.4176.4-104.2000111.3F593 P597 Y600 A616 G642 F643F593-F640 HydrophobicContact CE2-CD2 4.5Å; F593-F640 HydrophobicContact CZ-CD2 4.26Å; P597-F640 HydrophobicContact CG-CD1 3.62Å; P597-F640 HydrophobicContact CG-CE1 3.96Å; P597-F640 HydrophobicContact CG-CG 4.33Å; Y600-F640 HydrophobicContact CD2-CD2 4.4Å; Y600-F640 HydrophobicContact CD2-CE2 4.19Å; Y600-F640 HydrophobicContact CD2-CZ 4.36Å; Y600-F640 AromaticContact CE2-CD2 3.78Å; Y600-F640 HydrophobicContact CE2-CD2 3.78Å; Y600-F640 AromaticContact CE2-CE2 3.58Å; Y600-F640 HydrophobicContact CE2-CE2 3.58Å; Y600-F640 HydrophobicContact CE2-CZ 4.15Å; A616-F640 HydrophobicContact CB-CE2 4.48Å; F640-G642 VanDerWaalsContact CE2-O 3.3Å; F640-G642 WeakPolarHBondContact CE2-O 3.4Å; F640-G642 VanDerWaalsContact CZ-C 3.45Å; F640-G642 VanDerWaalsContact CZ-CA 3.46Å; F640-F643 HydrophobicContact CE2-CD1 4.19Å; F640-F643 HydrophobicContact CE2-CD2 4.3Å; F640-F643 HydrophobicContact CE2-CE1 4.04Å; F640-F643 HydrophobicContact CE2-CE2 4.15Å; F640-F643 HydrophobicContact CE2-CG 4.33Å; F640-F643 HydrophobicContact CE2-CZ 4.03Å; F640-F643 HydrophobicContact CZ-CD1 4.39Å; F640-F643 AromaticContact CZ-CD2 3.71Å; F640-F643 HydrophobicContact CZ-CD2 3.71Å; F640-F643 HydrophobicContact CZ-CE1 4.36Å; F640-F643 AromaticContact CZ-CE2 3.66Å; F640-F643 HydrophobicContact CZ-CE2 3.66Å; F640-F643 HydrophobicContact CZ-CG 4.1Å; F640-F643 HydrophobicContact CZ-CZ 4.02Å
641V88.1Confident86.3Confident20 Ų2033.7 Ų33.712%0.12119%0.188CC..EExtended strand (participates in β ladder)trans-117.2-25.1-173.8-170.20000112.5S484 E496 S497 L617 S619 D639S484-V641 PolarHBondContact OG-O 2.85Å; S484-V641 VanDerWaalsContact OG-O 3.06Å; E496-V641 VanDerWaalsContact C-CG1 3.49Å; E496-V641 HydrophobicContact CB-CG1 3.37Å; E496-V641 HydrophobicContact CB-CG2 4.44Å; S497-V641 WeakPolarHBondContact OG-CG1 3.46Å; S497-V641 PolarHBondContact OG-O 2.88Å; L617-V641 PolarHBondContact O-N 2.98Å; S619-V641 VanDerWaalsContact OG-CG2 3.3Å; S619-V641 WeakPolarHBondContact OG-CG2 3.46Å; D639-V641 WeakPolarHBondContact O-CG2 3.24Å
642G90.4Very high86.5Confident0 Ų037.7 Ų37.70%022%0.22CC..EExtended strand (participates in β ladder)trans158.3179.9175.600000113.3H483 L617 F640H483-G642 CarbonylContact O-C 3.6Å; H483-G642 VanDerWaalsContact O-CA 3.24Å; H483-G642 WeakPolarHBondContact O-CA 2.88Å; L617-G642 WeakPolarHBondContact CA-O 3.43Å; L617-G642 VanDerWaalsContact CB-O 3.32Å; L617-G642 WeakPolarHBondContact CB-O 3.3Å; L617-G642 PolarHBondContact N-O 2.9Å; L617-G642 PolarHBondContact O-N 2.83Å; F640-G642 VanDerWaalsContact CE2-O 3.3Å; F640-G642 WeakPolarHBondContact CE2-O 3.4Å; F640-G642 VanDerWaalsContact CZ-C 3.45Å; F640-G642 VanDerWaalsContact CZ-CA 3.46Å
643F91.8Very high86.8Confident4 Ų435.2 Ų35.22%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-110.1131.2172-70.6-64.8000110.4V482 H483 P586 Y600 V603 Y604 V614 L615 A616 F640V482-F643 CarbonylContact C-O 3.47Å; V482-F643 VanDerWaalsContact CA-O 3.26Å; V482-F643 WeakPolarHBondContact CA-O 3.32Å; H483-F643 HydrophobicContact CB-CB 4.36Å; H483-F643 PolarHBondContact N-O 2.73Å; H483-F643 PolarHBondContact O-N 3.45Å; P586-F643 HydrophobicContact CB-CE1 4.06Å; P586-F643 HydrophobicContact CG-CD1 4.48Å; P586-F643 HydrophobicContact CG-CE1 3.98Å; Y600-F643 HydrophobicContact CD1-CZ 4.4Å; Y600-F643 HydrophobicContact CD2-CE1 4.36Å; Y600-F643 HydrophobicContact CD2-CE2 4.05Å; Y600-F643 AromaticContact CD2-CZ 3.46Å; Y600-F643 HydrophobicContact CD2-CZ 3.46Å; Y600-F643 VanDerWaalsContact CD2-CZ 3.46Å; Y600-F643 HydrophobicContact CE1-CE1 4.49Å; Y600-F643 HydrophobicContact CE1-CZ 4.13Å; Y600-F643 AromaticContact CE2-CE1 3.59Å; Y600-F643 HydrophobicContact CE2-CE1 3.59Å; Y600-F643 HydrophobicContact CE2-CE2 4.06Å; Y600-F643 AromaticContact CE2-CZ 3.13Å; Y600-F643 HydrophobicContact CE2-CZ 3.13Å; Y600-F643 HydrophobicContact CG-CZ 4.09Å; Y600-F643 AromaticContact CZ-CE1 3.66Å; Y600-F643 AromaticContact CZ-CZ 3.5Å; V603-F643 HydrophobicContact CG1-CD2 4.16Å; V603-F643 HydrophobicContact CG1-CE2 4.11Å; Y604-F643 HydrophobicContact CD1-CZ 4.22Å; Y604-F643 HydrophobicContact CG-CZ 4.45Å; V614-F643 HydrophobicContact CG1-CB 3.82Å; V614-F643 HydrophobicContact CG1-CD1 3.51Å; V614-F643 HydrophobicContact CG1-CE1 4.24Å; V614-F643 HydrophobicContact CG1-CG 3.83Å; L615-F643 CarbonylContact O-C 3.57Å; L615-F643 WeakPolarHBondContact O-CA 3.37Å; A616-F643 HydrophobicContact CB-CD1 4.08Å; A616-F643 HydrophobicContact CB-CE1 3.91Å; F640-F643 HydrophobicContact CE2-CD1 4.19Å; F640-F643 HydrophobicContact CE2-CD2 4.3Å; F640-F643 HydrophobicContact CE2-CE1 4.04Å; F640-F643 HydrophobicContact CE2-CE2 4.15Å; F640-F643 HydrophobicContact CE2-CG 4.33Å; F640-F643 HydrophobicContact CE2-CZ 4.03Å; F640-F643 HydrophobicContact CZ-CD1 4.39Å; F640-F643 AromaticContact CZ-CD2 3.71Å; F640-F643 HydrophobicContact CZ-CD2 3.71Å; F640-F643 HydrophobicContact CZ-CE1 4.36Å; F640-F643 AromaticContact CZ-CE2 3.66Å; F640-F643 HydrophobicContact CZ-CE2 3.66Å; F640-F643 HydrophobicContact CZ-CG 4.1Å; F640-F643 HydrophobicContact CZ-CZ 4.02Å
644V91.3Very high87.1Confident1 Ų130 Ų301%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-90.8130.2167.661.10000109.9L501 V614 L615 L617 I646L501-V644 HydrophobicContact CD1-CG2 4.37Å; L501-V644 HydrophobicContact CD2-CB 4.03Å; L501-V644 HydrophobicContact CD2-CG1 4.06Å; L501-V644 HydrophobicContact CD2-CG2 4.04Å; V614-V644 WeakPolarHBondContact CA-O 3.41Å; L615-V644 HydrophobicContact CB-CG1 3.65Å; L615-V644 HydrophobicContact CD1-CG1 4.32Å; L615-V644 HydrophobicContact CG-CG1 4.37Å; L615-V644 PolarHBondContact N-O 3.15Å; L615-V644 VanDerWaalsContact N-O 3.13Å; L615-V644 PolarHBondContact O-N 2.95Å; L617-V644 HydrophobicContact CD1-CB 4.16Å; L617-V644 HydrophobicContact CD2-CB 4.38Å; L617-V644 HydrophobicContact CD2-CG1 3.93Å; L617-V644 HydrophobicContact CG-CB 4.36Å; L617-V644 HydrophobicContact CG-CG1 4.3Å; V644-I646 HydrophobicContact CG1-CD1 4.15Å; V644-I646 HydrophobicContact CG2-CD1 4.18Å; V644-I646 HydrophobicContact CG2-CG1 4.16Å
645I90.2Very high87.4Confident8 Ų834.4 Ų34.44%0.04120%0.201CC..EExtended strand (participates in β ladder)trans-105.4117.3-177.5-55.8177.3000108.2V480 G481 H483 I487 M607 A612V480-I645 HydrophobicContact CB-CB 4.26Å; V480-I645 HydrophobicContact CB-CG2 4.01Å; V480-I645 HydrophobicContact CG2-CG2 4.26Å; V480-I645 PolarHBondContact N-O 3.28Å; G481-I645 PolarHBondContact O-N 3.11Å; H483-I645 HydrophobicContact CB-CD1 4.16Å; I487-I645 HydrophobicContact CD1-CD1 3.73Å; I487-I645 HydrophobicContact CG1-CD1 3.81Å; I487-I645 HydrophobicContact CG2-CD1 4.11Å; M607-I645 HydrophobicContact CE-CD1 4.11Å; M607-I645 HydrophobicContact CG-CD1 4.25Å; M607-I645 HydrophobicContact SD-CD1 3.51Å; M607-I645 VanDerWaalsContact SD-CD1 3.51Å; M607-I645 HydrophobicContact SD-CG1 3.89Å; A612-I645 HydrophobicContact CB-CG2 3.46Å; A612-I645 VanDerWaalsContact CB-CG2 3.46Å
646I87.2Confident87.5Confident0 Ų036.9 Ų36.90%022%0.222CC..EExtended strand (participates in β ladder)trans-120.1126.2-179.8-63.6140.5000108.9L477 V478 L519 R613 L615 V644L477-I646 HydrophobicContact CB-CG2 3.98Å; L477-I646 HydrophobicContact CD2-CG2 4.07Å; L477-I646 HydrophobicContact CG-CG2 4.43Å; V478-I646 WeakPolarHBondContact O-CA 3.26Å; L519-I646 HydrophobicContact CD1-CD1 3.7Å; L519-I646 HydrophobicContact CD2-CD1 3.76Å; L519-I646 HydrophobicContact CG-CD1 3.56Å; R613-I646 HydrophobicContact CB-CB 4.24Å; R613-I646 PolarHBondContact N-O 3.1Å; R613-I646 PolarHBondContact O-N 3.32Å; L615-I646 HydrophobicContact CD1-CD1 4.27Å; V644-I646 HydrophobicContact CG1-CD1 4.15Å; V644-I646 HydrophobicContact CG2-CD1 4.18Å; V644-I646 HydrophobicContact CG2-CG1 4.16Å
647S85Confident87.8Confident43 Ų4333.3 Ų33.330%0.30120%0.203SC..EExtended strand (participates in β ladder)trans-104.4141.5177.5-175.70000111.2V478 P649V478-S647 PolarHBondContact N-O 3.07Å; V478-S647 PolarHBondContact O-N 3.04Å; S647-P649 WeakPolarHBondContact O-CD 3.45Å
648C82.6Confident88Confident17 Ų1731.2 Ų31.212%0.11518%0.182CC..  trans-104.795167-54.50000107.8T473 L477T473-C648 HydrophobicContact CG2-CB 4.11Å; L477-C648 HydrophobicContact CD2-CB 4.36Å; L477-C648 WeakPolarHBondContact CD2-SG 3.41Å
649P85.4Confident88Confident50 Ų5035.3 Ų35.333%0.32520%0.201SC..PPolyproline II helixtrans-63.8144.6-177.224.4-30.4000111.1T473 T474 V478 S647T473-P649 WeakPolarHBondContact CA-O 3.26Å; T473-P649 WeakPolarHBondContact CB-O 3.43Å; T474-P649 PolarHBondContact N-O 3.33Å; T474-P649 WeakPolarHBondContact OG1-CG 3.46Å; T474-P649 PolarHBondContact OG1-O 3.18Å; V478-P649 HydrophobicContact CG2-CG 4.4Å; S647-P649 WeakPolarHBondContact O-CD 3.45Å
650L87.2Confident87.9Confident45 Ų4534.1 Ų34.124%0.23620%0.197CC..BIsolated β-bridgetrans-64.8145171.7-71.8175.2000110.7T473 V683 E686 L687T473-L650 HydrophobicContact CG2-CD2 3.98Å; L650-V683 HydrophobicContact CD2-CG1 3.95Å; L650-V683 HydrophobicContact CD2-CG2 4.48Å; L650-E686 HydrophobicContact CD1-CB 3.87Å; L650-E686 WeakPolarHBondContact CD1-OE2 3.35Å; L650-L687 HydrophobicContact CD1-CD2 3.88Å; L650-L687 HydrophobicContact CD1-CG 4.08Å; L650-L687 HydrophobicContact CD2-CD1 4.07Å; L650-L687 HydrophobicContact CD2-CD2 4.2Å; L650-L687 HydrophobicContact CD2-CG 4.16Å
651K87.4Confident87.7Confident15 Ų1532 Ų327%0.06519%0.187CC..PPolyproline II helixtrans-66142.5170.6-62.8178.4-177.1167.10109.8G470 T471 L472 T473 T474 D653 S654 S892G470-K651 PolarHBondContact O-NZ 2.68Å; T471-K651 WeakPolarHBondContact O-CD 3.45Å; T471-K651 WeakPolarHBondContact O-CE 3.45Å; T471-K651 PolarHBondContact O-NZ 3.23Å; L472-K651 PolarHBondContact O-N 3.01Å; T473-K651 VanDerWaalsContact O-CE 3.25Å; T473-K651 WeakPolarHBondContact O-CE 3.38Å; T474-K651 HydrophobicContact CG2-CG 3.92Å; K651-D653 VanDerWaalsContact CB-OD1 3.26Å; K651-D653 WeakPolarHBondContact CB-OD1 3.5Å; K651-D653 PolarHBondContact O-N 3.07Å; K651-D653 VanDerWaalsContact O-N 3.14Å; K651-S654 WeakPolarHBondContact O-CB 3.35Å; K651-S654 PolarHBondContact O-N 3.46Å; K651-S892 WeakPolarHBondContact CE-OG 3.31Å; K651-S892 PolarHBondContact NZ-O 3.31Å; K651-S892 PolarHBondContact NZ-OG 3.24Å
652P85.4Confident87.5Confident130 Ų13035 Ų3584%0.84420%0.2SC*.THydrogen-bonded Turntrans-63.2-25.7-172.425.4-35.5000113.8
653D87.7Confident87.1Confident38 Ų3841 Ų4120%0.20323%0.228CC..THydrogen-bonded Turntrans-86.8-19.6178.361.6-38.9000113.5K651 K655 A656 V657 S893K651-D653 VanDerWaalsContact CB-OD1 3.26Å; K651-D653 WeakPolarHBondContact CB-OD1 3.5Å; K651-D653 PolarHBondContact O-N 3.07Å; K651-D653 VanDerWaalsContact O-N 3.14Å; D653-K655 PolarHBondContact O-N 3.33Å; D653-A656 PolarHBondContact O-N 2.88Å; D653-V657 WeakPolarHBondContact O-CG2 3.5Å; D653-V657 PolarHBondContact O-N 3.06Å; D653-V657 VanDerWaalsContact O-N 3.08Å; D653-S893 WeakPolarHBondContact OD2-CA 3.32Å; D653-S893 VanDerWaalsContact OD2-CB 3.24Å; D653-S893 WeakPolarHBondContact OD2-CB 3.38Å; D653-S893 PolarHBondContact OD2-OG 3.34Å
654S89.4Confident86.5Confident0 Ų040.8 Ų40.80%023%0.227CC..Hα-helixtrans-59.3-44.3-169.2-74.20000113L472 K651 V657 V658L472-S654 PolarHBondContact O-OG 2.98Å; L472-S654 VanDerWaalsContact O-OG 3.11Å; K651-S654 WeakPolarHBondContact O-CB 3.35Å; K651-S654 PolarHBondContact O-N 3.46Å; S654-V657 PolarHBondContact O-N 2.7Å; S654-V658 WeakPolarHBondContact O-CB 3.41Å; S654-V658 VanDerWaalsContact O-CG2 3.24Å; S654-V658 WeakPolarHBondContact O-CG2 3.29Å; S654-V658 PolarHBondContact O-N 2.98Å
655K88.2Confident85.5Confident96 Ų9642.2 Ų42.242%0.41724%0.242SC..Hα-helixtrans-61.9-49.9-179.8-172.8172-176.51670112.2D653 V657 V658 E659 L687D653-K655 PolarHBondContact O-N 3.33Å; K655-V657 VanDerWaalsContact C-N 3.33Å; K655-V657 PolarHBondContact O-N 3.38Å; K655-V658 PolarHBondContact O-N 2.77Å; K655-E659 WeakPolarHBondContact CE-OE1 3.45Å; K655-E659 WeakPolarHBondContact O-CG 3.48Å; K655-E659 PolarHBondContact O-N 2.99Å; K655-L687 HydrophobicContact CB-CD2 4.14Å
656A88.1Confident84.7Confident54 Ų5442.5 Ų42.545%0.44624%0.243SC..Hα-helixtrans-64.3-36.7-178.300000112.7D653 T660D653-A656 PolarHBondContact O-N 2.88Å; A656-T660 PolarHBondContact O-N 2.83Å; A656-T660 VanDerWaalsContact O-N 3.08Å; A656-T660 PolarHBondContact O-OG1 2.97Å
657V88.4Confident83.5Confident4 Ų450.5 Ų50.52%0.02428%0.278CS..Hα-helixtrans-70.2-44.8178173.80000111.1D653 S654 K655 E659 T660 I661 I894 Q895D653-V657 WeakPolarHBondContact O-CG2 3.5Å; D653-V657 PolarHBondContact O-N 3.06Å; D653-V657 VanDerWaalsContact O-N 3.08Å; S654-V657 PolarHBondContact O-N 2.7Å; K655-V657 VanDerWaalsContact C-N 3.33Å; K655-V657 PolarHBondContact O-N 3.38Å; V657-E659 VanDerWaalsContact C-N 3.35Å; V657-E659 PolarHBondContact O-N 2.91Å; V657-T660 WeakPolarHBondContact O-CB 3.41Å; V657-T660 PolarHBondContact O-N 3.49Å; V657-T660 VanDerWaalsContact O-N 3.13Å; V657-I661 HydrophobicContact CG1-CD1 3.94Å; V657-I661 WeakPolarHBondContact O-CG1 3.24Å; V657-I661 PolarHBondContact O-N 2.77Å; V657-I894 HydrophobicContact CB-CD1 3.77Å; V657-I894 HydrophobicContact CB-CG1 3.86Å; V657-I894 HydrophobicContact CG1-CB 4.42Å; V657-I894 HydrophobicContact CG1-CD1 3.72Å; V657-I894 HydrophobicContact CG1-CG1 3.77Å; V657-I894 HydrophobicContact CG2-CG1 4.15Å; V657-Q895 HydrophobicContact CG2-CB 4.17Å; V657-Q895 VanDerWaalsContact CG2-OE1 3.32Å
658V88.4Confident82.4Confident1 Ų149.5 Ų49.51%0.00627%0.27CS..Hα-helixtrans-61.9-42.9177.1170.60000111.1S654 K655 T660 I661 Q662 V669 L688 I894S654-V658 WeakPolarHBondContact O-CB 3.41Å; S654-V658 VanDerWaalsContact O-CG2 3.24Å; S654-V658 WeakPolarHBondContact O-CG2 3.29Å; S654-V658 PolarHBondContact O-N 2.98Å; K655-V658 PolarHBondContact O-N 2.77Å; V658-T660 VanDerWaalsContact C-N 3.29Å; V658-T660 PolarHBondContact O-N 2.68Å; V658-I661 PolarHBondContact O-N 3.01Å; V658-Q662 WeakPolarHBondContact O-CG 3.44Å; V658-Q662 PolarHBondContact O-N 3.45Å; V658-V669 HydrophobicContact CG1-CG1 4.39Å; V658-L688 HydrophobicContact CG1-CD2 3.43Å; V658-L688 VanDerWaalsContact CG1-CD2 3.43Å; V658-I894 HydrophobicContact CG2-CD1 4.19Å
659E86.5Confident81.9Confident86 Ų8649.2 Ų49.240%0.40227%0.268SS..Hα-helixtrans-58.9-40.6173.3-75175.4-176.600111.9K655 V657 Q662 H663K655-E659 WeakPolarHBondContact CE-OE1 3.45Å; K655-E659 WeakPolarHBondContact O-CG 3.48Å; K655-E659 PolarHBondContact O-N 2.99Å; V657-E659 VanDerWaalsContact C-N 3.35Å; V657-E659 PolarHBondContact O-N 2.91Å; E659-Q662 PolarHBondContact O-N 2.88Å; E659-H663 WeakPolarHBondContact O-CB 3.2Å; E659-H663 PolarHBondContact O-N 2.56Å
660T86Confident81.9Confident59 Ų5947 Ų4736%0.36225%0.253SS..Hα-helixtrans-64.2-40.7177-58.60000111.9A656 V657 V658 H663 S664 L967A656-T660 PolarHBondContact O-N 2.83Å; A656-T660 VanDerWaalsContact O-N 3.08Å; A656-T660 PolarHBondContact O-OG1 2.97Å; V657-T660 WeakPolarHBondContact O-CB 3.41Å; V657-T660 PolarHBondContact O-N 3.49Å; V657-T660 VanDerWaalsContact O-N 3.13Å; V658-T660 VanDerWaalsContact C-N 3.29Å; V658-T660 PolarHBondContact O-N 2.68Å; T660-H663 PolarHBondContact O-N 3.3Å; T660-S664 PolarHBondContact O-N 3.34Å; T660-S664 PolarHBondContact O-OG 3.43Å; T660-L967 HydrophobicContact CG2-CB 4.21Å; T660-L967 HydrophobicContact CG2-CD2 4.39Å
661I86.5Confident82Confident0 Ų045 Ų450%024%0.243CC..Hα-helixtrans-68.9-39.7178.1-68170000111.2C464 F466 V657 V658 S664 H666 V669 I897C464-I661 HydrophobicContact CB-CG2 4.46Å; F466-I661 HydrophobicContact CZ-CD1 3.81Å; V657-I661 HydrophobicContact CG1-CD1 3.94Å; V657-I661 WeakPolarHBondContact O-CG1 3.24Å; V657-I661 PolarHBondContact O-N 2.77Å; V658-I661 PolarHBondContact O-N 3.01Å; I661-S664 PolarHBondContact O-N 3.49Å; I661-S664 PolarHBondContact O-OG 3.05Å; I661-H666 HydrophobicContact CG2-CB 4.03Å; I661-H666 PolarHBondContact O-CD2 3.25Å; I661-V669 HydrophobicContact CG2-CG2 3.92Å; I661-I897 HydrophobicContact CD1-CG2 4.01Å
662Q83.7Confident82.2Confident83 Ų8344.3 Ų44.339%0.38824%0.24SC..Hα-helixtrans-64-43.5173.6-72.7-176.8-23.900111.1V658 E659 S664 G665 V669V658-Q662 WeakPolarHBondContact O-CG 3.44Å; V658-Q662 PolarHBondContact O-N 3.45Å; E659-Q662 PolarHBondContact O-N 2.88Å; Q662-S664 VanDerWaalsContact C-N 3.26Å; Q662-S664 PolarHBondContact O-N 2.94Å; Q662-G665 PolarHBondContact O-N 3.1Å; Q662-V669 HydrophobicContact CG-CG2 4.32Å
663H81.7Confident82.3Confident126 Ų12638.1 Ų38.158%0.58320%0.2SC*.Hα-helixtrans-64.8-29.8178.6-167.179.8000112.9E659 T660 G665 K969E659-H663 WeakPolarHBondContact O-CB 3.2Å; E659-H663 PolarHBondContact O-N 2.56Å; T660-H663 PolarHBondContact O-N 3.3Å; H663-G665 PolarHBondContact O-N 3.14Å; H663-K969 WeakPolarHBondContact O-CG 3.38Å
664S80Confident82.1Confident0 Ų038.5 Ų38.50%021%0.212CC..THydrogen-bonded Turntrans-78.27.7179.268.40000115T660 I661 Q662 H666 R905 L967 A968T660-S664 PolarHBondContact O-N 3.34Å; T660-S664 PolarHBondContact O-OG 3.43Å; I661-S664 PolarHBondContact O-N 3.49Å; I661-S664 PolarHBondContact O-OG 3.05Å; Q662-S664 VanDerWaalsContact C-N 3.26Å; Q662-S664 PolarHBondContact O-N 2.94Å; S664-H666 PolarHBondContact OG-CD2 2.96Å; S664-H666 PolarHBondContact OG-NE2 3.14Å; S664-R905 PolarHBondContact O-NH2 3.33Å; S664-R905 VanDerWaalsContact O-NH2 3.08Å; S664-L967 VanDerWaalsContact CB-CG 3.44Å; S664-L967 WeakPolarHBondContact OG-CD2 3.46Å; S664-A968 WeakPolarHBondContact CB-O 3.3Å
665G69.8Low81.7Confident31 Ų3139.6 Ų39.632%0.3222%0.218SC..THydrogen-bonded Turntrans80.819.2172.900000114.7Q662 H663 R971Q662-G665 PolarHBondContact O-N 3.1Å; H663-G665 PolarHBondContact O-N 3.14Å; G665-R971 VanDerWaalsContact O-CZ 3.24Å; G665-R971 PolarHBondContact O-NE 3.27Å; G665-R971 PolarHBondContact O-NH2 2.68Å
666H75.1Confident81.3Confident14 Ų1437.3 Ų37.37%0.06521%0.211CC..  trans-68.2132.5168.7-64.2-69.8000109.5V461 I661 S664 V668 R905V461-H666 PolarHBondContact O-CE1 3.26Å; V461-H666 VanDerWaalsContact O-CE1 3.24Å; V461-H666 PolarHBondContact O-ND1 3.37Å; I661-H666 HydrophobicContact CG2-CB 4.03Å; I661-H666 PolarHBondContact O-CD2 3.25Å; S664-H666 PolarHBondContact OG-CD2 2.96Å; S664-H666 PolarHBondContact OG-NE2 3.14Å; H666-V668 PolarHBondContact O-N 3.37Å; H666-R905 PolarHBondContact NE2-NH2 3.21Å; H666-R905 VanDerWaalsContact NE2-NH2 3.17Å
667K61.5Low81Confident169 Ų16935.3 Ų35.374%0.73519%0.193SC*.SBendtrans-67.1-40.8-165.6-83.7-177.1175.21790112D462D462-K667 PolarHBondContact O-N 2.75Å
668V61.9Low80.8Confident21 Ų2136.8 Ų36.813%0.12720%0.201CC..EExtended strand (participates in β ladder)trans-146.8131.7-174.6-171.50000109.3I463 C464 H666 S670 K757I463-V668 HydrophobicContact CD1-CB 4.46Å; I463-V668 HydrophobicContact CG1-CB 4.32Å; I463-V668 HydrophobicContact CG2-CB 4.33Å; C464-V668 PolarHBondContact N-O 3.29Å; C464-V668 VanDerWaalsContact N-O 3.14Å; H666-V668 PolarHBondContact O-N 3.37Å; V668-S670 VanDerWaalsContact CG1-OG 3.26Å; V668-S670 WeakPolarHBondContact CG1-OG 3.31Å; V668-K757 HydrophobicContact CG1-CG 3.91Å
669V72.4Confident80.4Confident12 Ų1237 Ų377%0.07320%0.201CC..EExtended strand (participates in β ladder)trans-99.2112.5161.2173.70000106.2C464 F466 V658 I661 Q662 L688C464-V669 CarbonylContact O-C 3.51Å; C464-V669 WeakPolarHBondContact O-CA 3.4Å; F466-V669 HydrophobicContact CD2-CG1 3.64Å; F466-V669 HydrophobicContact CE2-CG1 3.62Å; V658-V669 HydrophobicContact CG1-CG1 4.39Å; I661-V669 HydrophobicContact CG2-CG2 3.92Å; Q662-V669 HydrophobicContact CG-CG2 4.32Å; V669-L688 HydrophobicContact CB-CD2 3.87Å; V669-L688 HydrophobicContact CG1-CD2 3.95Å
670S84Confident80.3Confident3 Ų332.9 Ų32.92%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-107.3140.1-179.3-60.40000110.9C464 C465 F466 V668 V756 K757C464-S670 PolarHBondContact O-N 2.67Å; C465-S670 CarbonylContact C-O 2.94Å; C465-S670 VanDerWaalsContact CA-O 3.26Å; C465-S670 WeakPolarHBondContact CA-O 3.36Å; F466-S670 PolarHBondContact N-O 3.23Å; V668-S670 VanDerWaalsContact CG1-OG 3.26Å; V668-S670 WeakPolarHBondContact CG1-OG 3.31Å; S670-V756 PolarHBondContact OG-O 3.26Å; S670-K757 CarbonylContact C-O 3.59Å; S670-K757 WeakPolarHBondContact CA-O 3.4Å
671I90.2Very high80.2Confident3 Ų330.3 Ų30.32%0.01517%0.167CC..EExtended strand (participates in β ladder)trans-101.9126.4173.5-61.3170.3000108.2F466 K468 L472 T673 V683 A684 K757 V758 F759F466-I671 CarbonylContact O-C 3.49Å; F466-I671 VanDerWaalsContact O-CA 3.31Å; F466-I671 WeakPolarHBondContact O-CA 3.36Å; K468-I671 HydrophobicContact CB-CG2 4.2Å; L472-I671 HydrophobicContact CD1-CD1 4.08Å; L472-I671 HydrophobicContact CD1-CG1 3.98Å; I671-T673 HydrophobicContact CG2-CG2 4.3Å; I671-V683 HydrophobicContact CD1-CG1 4.01Å; I671-A684 HydrophobicContact CD1-CB 3.97Å; I671-K757 PolarHBondContact N-O 3.18Å; I671-V758 HydrophobicContact CB-CG2 4.43Å; I671-V758 CarbonylContact O-C 3.47Å; I671-V758 WeakPolarHBondContact O-CA 3.42Å; I671-F759 PolarHBondContact O-N 3.2Å
672I91.7Very high80Confident0 Ų032.1 Ų32.10%018%0.175CC..EExtended strand (participates in β ladder)trans-119.2104.4177.6-53.5179000108.3C465 F466 F759 M762 K767 I770 I771 M783C465-I672 HydrophobicContact CB-CD1 3.79Å; C465-I672 HydrophobicContact CB-CG1 4.33Å; F466-I672 PolarHBondContact O-N 3.45Å; I672-F759 HydrophobicContact CB-CB 4.43Å; I672-F759 HydrophobicContact CG1-CB 4.3Å; I672-F759 HydrophobicContact CG1-CD2 3.85Å; I672-F759 HydrophobicContact CG1-CG 4.39Å; I672-F759 HydrophobicContact CG2-CB 4.18Å; I672-M762 HydrophobicContact CG2-CB 4.29Å; I672-M762 HydrophobicContact CG2-CG 4.06Å; I672-K767 HydrophobicContact CG2-CB 4.05Å; I672-K767 HydrophobicContact CG2-CD 3.96Å; I672-K767 HydrophobicContact CG2-CG 3.64Å; I672-I770 HydrophobicContact CD1-CB 4.44Å; I672-I770 HydrophobicContact CD1-CD1 4.36Å; I672-I770 HydrophobicContact CD1-CG2 3.95Å; I672-I770 HydrophobicContact CG2-CD1 4.03Å; I672-I771 HydrophobicContact CD1-CD1 4.33Å; I672-M783 HydrophobicContact CD1-SD 4.41Å
673T88Confident80.1Confident1 Ų128.5 Ų28.51%0.00616%0.159CC..  trans-134.5154.8-173.1-173.60000113.1K468 I671 D675 A680 F759 A760 R761 M762K468-T673 HydrophobicContact CB-CG2 4.44Å; I671-T673 HydrophobicContact CG2-CG2 4.3Å; T673-D675 VanDerWaalsContact C-N 3.31Å; T673-D675 HydrophobicContact CG2-CB 4.07Å; T673-D675 PolarHBondContact OG1-N 3.5Å; T673-A680 HydrophobicContact CG2-CB 3.6Å; T673-F759 PolarHBondContact N-O 3.26Å; T673-A760 CarbonylContact O-C 3.5Å; T673-A760 WeakPolarHBondContact O-CA 3.37Å; T673-R761 PolarHBondContact O-N 3.14Å; T673-M762 PolarHBondContact O-N 3.17Å
674G82.8Confident80.3Confident45 Ų4522.5 Ų22.546%0.46413%0.131SC..SBendtrans-79.8-10.5168.700000113.9R761G674-R761 WeakPolarHBondContact O-CA 3.46Å
675D81.4Confident80.4Confident24 Ų2428.2 Ų28.213%0.12816%0.156CC..SBendtrans-69.2167.9-176.4-84.1-28.4000113.6K468 R613 T673 R761K468-D675 HydrophobicContact CD-CB 4.43Å; K468-D675 VanDerWaalsContact CD-OD2 3.29Å; K468-D675 WeakPolarHBondContact CD-OD2 3.09Å; K468-D675 WeakPolarHBondContact CE-OD2 3.27Å; K468-D675 IonicContact NZ-OD2 3.49Å; K468-D675 PolarHBondContact NZ-OD2 3.38Å; R613-D675 IonicContact CZ-OD1 3.87Å; R613-D675 IonicContact NE-OD1 2.68Å; R613-D675 IonicContact NH2-OD1 3.38Å; R613-D675 PolarHBondContact NH2-OD1 3.21Å; R613-D675 IonicContact NH2-OD2 3.39Å; R613-D675 PolarHBondContact NH2-OD2 3Å; T673-D675 VanDerWaalsContact C-N 3.31Å; T673-D675 HydrophobicContact CG2-CB 4.07Å; T673-D675 PolarHBondContact OG1-N 3.5Å; D675-R761 PolarHBondContact O-N 3.07Å
676N80.1Confident81Confident48 Ų4830.8 Ų30.826%0.25716%0.16SC..  trans-56.9136.7173.5-178.1-50.2000110.7L678 T679 A680N676-L678 VanDerWaalsContact C-N 3.27Å; N676-L678 PolarHBondContact O-N 3.49Å; N676-L678 WeakPolarHBondContact OD1-CB 3.04Å; N676-L678 PolarHBondContact OD1-N 3.23Å; N676-T679 HydrophobicContact CB-CG2 4.34Å; N676-T679 PolarHBondContact O-N 2.99Å; N676-T679 VanDerWaalsContact O-N 3.15Å; N676-T679 PolarHBondContact O-OG1 2.67Å; N676-A680 PolarHBondContact O-N 3.41Å
677P81.8Confident81.4Confident11 Ų1130.3 Ų30.37%0.07116%0.157CC..Hα-helixtrans-50.7-39.5178.622.8-37.7000114.8A680 C681 H696 A760P677-A680 PolarHBondContact O-N 3.35Å; P677-C681 WeakPolarHBondContact O-CB 3.3Å; P677-C681 PolarHBondContact O-N 2.82Å; P677-C681 PolarHBondContact O-SG 2.74Å; P677-H696 WeakPolarHBondContact CB-CE1 3.44Å; P677-H696 WeakPolarHBondContact CB-NE2 3.33Å; P677-H696 VanDerWaalsContact CG-NE2 3.31Å; P677-H696 WeakPolarHBondContact CG-NE2 2.95Å; P677-A760 VanDerWaalsContact CA-CB 3.47Å; P677-A760 HydrophobicContact CB-CB 3.83Å
678L82.5Confident81.9Confident36 Ų3622.9 Ų22.919%0.18813%0.126CC..Hα-helixtrans-62.9-48179.8-62.6-178.6000111.2T608 L609 N676 A680 C681 H682 L712T608-L678 HydrophobicContact CG2-CB 3.7Å; T608-L678 HydrophobicContact CG2-CD1 3.91Å; T608-L678 HydrophobicContact CG2-CG 4.41Å; L609-L678 HydrophobicContact CD2-CD2 3.97Å; N676-L678 VanDerWaalsContact C-N 3.27Å; N676-L678 PolarHBondContact O-N 3.49Å; N676-L678 WeakPolarHBondContact OD1-CB 3.04Å; N676-L678 PolarHBondContact OD1-N 3.23Å; L678-A680 VanDerWaalsContact C-N 3.31Å; L678-A680 PolarHBondContact O-N 2.75Å; L678-C681 PolarHBondContact O-N 3.19Å; L678-H682 PolarHBondContact O-N 2.82Å; L678-L712 HydrophobicContact CD2-CD2 3.44Å; L678-L712 VanDerWaalsContact CD2-CD2 3.44Å
679T80.9Confident81.9Confident4 Ų427 Ų273%0.02515%0.147CC..Hα-helixtrans-66-34.617871.30000112.5K468 T608 N676 H682 V683K468-T679 PolarHBondContact NZ-OG1 2.99Å; T608-T679 HydrophobicContact CG2-CG2 3.74Å; N676-T679 HydrophobicContact CB-CG2 4.34Å; N676-T679 PolarHBondContact O-N 2.99Å; N676-T679 VanDerWaalsContact O-N 3.15Å; N676-T679 PolarHBondContact O-OG1 2.67Å; T679-H682 PolarHBondContact O-N 2.9Å; T679-V683 PolarHBondContact O-N 2.94Å
680A84.2Confident81.2Confident0 Ų027 Ų270%015%0.146CC..Hα-helixtrans-68.7-40.4176.400000111.2T673 N676 P677 L678 V683 A684 V758 A760T673-A680 HydrophobicContact CG2-CB 3.6Å; N676-A680 PolarHBondContact O-N 3.41Å; P677-A680 PolarHBondContact O-N 3.35Å; L678-A680 VanDerWaalsContact C-N 3.31Å; L678-A680 PolarHBondContact O-N 2.75Å; A680-V683 PolarHBondContact O-N 2.91Å; A680-A684 WeakPolarHBondContact O-CB 3.43Å; A680-A684 PolarHBondContact O-N 2.77Å; A680-V758 HydrophobicContact CB-CG1 3.65Å; A680-A760 HydrophobicContact CB-CB 4.33Å
681C83.9Confident79.5Confident6 Ų635.3 Ų35.34%0.04118%0.184CC..Hα-helixtrans-66.7-36.4174.9-69.10000112.3P677 L678 A684 K685 L694 L712P677-C681 WeakPolarHBondContact O-CB 3.3Å; P677-C681 PolarHBondContact O-N 2.82Å; P677-C681 PolarHBondContact O-SG 2.74Å; L678-C681 PolarHBondContact O-N 3.19Å; C681-A684 WeakPolarHBondContact O-CB 3.49Å; C681-A684 PolarHBondContact O-N 2.83Å; C681-K685 WeakPolarHBondContact O-CB 2.96Å; C681-K685 PolarHBondContact O-N 2.97Å; C681-L694 HydrophobicContact CB-CD1 4.44Å; C681-L712 HydrophobicContact CB-CD1 4.4Å; C681-L712 HydrophobicContact CB-CD2 4.48Å
682H83.1Confident77.3Confident37 Ų3737.2 Ų37.217%0.17120%0.197CC..Hα-helixtrans-60.8-49173.9-178.6-92.8000111.8L609 E610 G611 L678 T679 A684 K685 E686L609-H682 PolarHBondContact O-CD2 3.21Å; E610-H682 VanDerWaalsContact C-CD2 3.43Å; E610-H682 PolarHBondContact O-CE1 2.82Å; E610-H682 VanDerWaalsContact O-CE1 3.26Å; E610-H682 PolarHBondContact O-NE2 3.18Å; G611-H682 VanDerWaalsContact CA-CG 3.46Å; L678-H682 PolarHBondContact O-N 2.82Å; T679-H682 PolarHBondContact O-N 2.9Å; H682-A684 VanDerWaalsContact C-N 3.29Å; H682-A684 PolarHBondContact O-N 2.99Å; H682-K685 WeakPolarHBondContact O-CA 3.26Å; H682-K685 VanDerWaalsContact O-CB 3.26Å; H682-K685 WeakPolarHBondContact O-CB 3.17Å; H682-K685 PolarHBondContact O-N 3.15Å; H682-E686 IonicContact CE1-OE1 2.91Å; H682-E686 PolarHBondContact CE1-OE1 2.82Å; H682-E686 VanDerWaalsContact CE1-OE1 3.31Å; H682-E686 IonicContact CE1-OE2 3.07Å; H682-E686 IonicContact NE2-OE1 2.77Å; H682-E686 PolarHBondContact O-N 2.92Å
683V85.5Confident74.9Confident8 Ų846.1 Ų46.15%0.04823%0.23CC..Hα-helixtrans-60.5-40.4175.8168.60000111.6K468 L472 T473 L650 I671 T679 A680 K685 E686 L687K468-V683 HydrophobicContact CD-CG2 4.17Å; K468-V683 HydrophobicContact CG-CG2 4.48Å; L472-V683 HydrophobicContact CD1-CG1 4.41Å; T473-V683 HydrophobicContact CG2-CG2 4.46Å; L650-V683 HydrophobicContact CD2-CG1 3.95Å; L650-V683 HydrophobicContact CD2-CG2 4.48Å; I671-V683 HydrophobicContact CD1-CG1 4.01Å; T679-V683 PolarHBondContact O-N 2.94Å; A680-V683 PolarHBondContact O-N 2.91Å; V683-K685 VanDerWaalsContact C-N 3.3Å; V683-K685 PolarHBondContact O-N 2.88Å; V683-E686 PolarHBondContact O-N 2.88Å; V683-L687 HydrophobicContact CG1-CD1 3.67Å; V683-L687 HydrophobicContact CG1-CG 4.35Å; V683-L687 WeakPolarHBondContact O-CB 3.43Å; V683-L687 WeakPolarHBondContact O-CG 3.31Å; V683-L687 PolarHBondContact O-N 3.29Å; V683-L687 VanDerWaalsContact O-N 3.07Å
684A84.6Confident73.1Confident0 Ų046.1 Ų46.10%023%0.231CC..Hα-helixtrans-60.6-40.2173.900000111.7I671 A680 C681 H682 L688 W690 V758I671-A684 HydrophobicContact CD1-CB 3.97Å; A680-A684 WeakPolarHBondContact O-CB 3.43Å; A680-A684 PolarHBondContact O-N 2.77Å; C681-A684 WeakPolarHBondContact O-CB 3.49Å; C681-A684 PolarHBondContact O-N 2.83Å; H682-A684 VanDerWaalsContact C-N 3.29Å; H682-A684 PolarHBondContact O-N 2.99Å; A684-L688 HydrophobicContact CB-CD1 4.22Å; A684-L688 WeakPolarHBondContact O-CB 3.4Å; A684-L688 WeakPolarHBondContact O-CG 3.35Å; A684-L688 PolarHBondContact O-N 2.99Å; A684-W690 HydrophobicContact CB-CD2 4.35Å; A684-W690 HydrophobicContact CB-CE3 4.1Å; A684-W690 HydrophobicContact CB-CH2 3.9Å; A684-W690 HydrophobicContact CB-CZ2 4.09Å; A684-W690 HydrophobicContact CB-CZ3 3.92Å; A684-V758 HydrophobicContact CB-CG2 3.73Å
685K83.3Confident71.3Confident120 Ų12044 Ų4452%0.52221%0.209SC..Hα-helixtrans-60.7-47.7176.9-173.8-176.6176.7-1760112.2C681 H682 V683 N689 W690C681-K685 WeakPolarHBondContact O-CB 2.96Å; C681-K685 PolarHBondContact O-N 2.97Å; H682-K685 WeakPolarHBondContact O-CA 3.26Å; H682-K685 VanDerWaalsContact O-CB 3.26Å; H682-K685 WeakPolarHBondContact O-CB 3.17Å; H682-K685 PolarHBondContact O-N 3.15Å; V683-K685 VanDerWaalsContact C-N 3.3Å; V683-K685 PolarHBondContact O-N 2.88Å; K685-N689 WeakPolarHBondContact O-CA 2.92Å; K685-N689 PolarHBondContact O-N 3.36Å; K685-W690 WeakPolarHBondContact CG-O 3.39Å; K685-W690 PolarHBondContact O-N 3.39Å
686E83.1Confident70Confident84 Ų8443.9 Ų43.939%0.39321%0.207SC..Hα-helixtrans-68.9-40.7-179-69.4-168.5141.300113.8L650 H682 V683L650-E686 HydrophobicContact CD1-CB 3.87Å; L650-E686 WeakPolarHBondContact CD1-OE2 3.35Å; H682-E686 IonicContact CE1-OE1 2.91Å; H682-E686 PolarHBondContact CE1-OE1 2.82Å; H682-E686 VanDerWaalsContact CE1-OE1 3.31Å; H682-E686 IonicContact CE1-OE2 3.07Å; H682-E686 IonicContact NE2-OE1 2.77Å; H682-E686 PolarHBondContact O-N 2.92Å; V683-E686 PolarHBondContact O-N 2.88Å
687L83.3Confident68.6Low4 Ų441.7 Ų41.72%0.02120%0.195CC..Hα-helixtrans-82.6-33.3-175-70.3176.2000113.4L472 L650 K655 V683L472-L687 HydrophobicContact CB-CD1 4.26Å; L472-L687 HydrophobicContact CD1-CD1 3.8Å; L472-L687 HydrophobicContact CD2-CD1 3.98Å; L472-L687 HydrophobicContact CG-CD1 4.24Å; L650-L687 HydrophobicContact CD1-CD2 3.88Å; L650-L687 HydrophobicContact CD1-CG 4.08Å; L650-L687 HydrophobicContact CD2-CD1 4.07Å; L650-L687 HydrophobicContact CD2-CD2 4.2Å; L650-L687 HydrophobicContact CD2-CG 4.16Å; K655-L687 HydrophobicContact CB-CD2 4.14Å; V683-L687 HydrophobicContact CG1-CD1 3.67Å; V683-L687 HydrophobicContact CG1-CG 4.35Å; V683-L687 WeakPolarHBondContact O-CB 3.43Å; V683-L687 WeakPolarHBondContact O-CG 3.31Å; V683-L687 PolarHBondContact O-N 3.29Å; V683-L687 VanDerWaalsContact O-N 3.07Å
688L72.2Confident67.1Low14 Ų1443.8 Ų43.87%0.07321%0.206CC..Hα-helixtrans-107.88.2-171-53.2168.4000112.5V658 V669 A684 W690V658-L688 HydrophobicContact CG1-CD2 3.43Å; V658-L688 VanDerWaalsContact CG1-CD2 3.43Å; V669-L688 HydrophobicContact CB-CD2 3.87Å; V669-L688 HydrophobicContact CG1-CD2 3.95Å; A684-L688 HydrophobicContact CB-CD1 4.22Å; A684-L688 WeakPolarHBondContact O-CB 3.4Å; A684-L688 WeakPolarHBondContact O-CG 3.35Å; A684-L688 PolarHBondContact O-N 2.99Å; L688-W690 HydrophobicContact CB-CG 4.13Å; L688-W690 VanDerWaalsContact CD1-CE2 3.47Å; L688-W690 HydrophobicContact CD1-CZ2 3.44Å; L688-W690 VanDerWaalsContact CD1-CZ2 3.44Å; L688-W690 VanDerWaalsContact CD1-NE1 3.29Å; L688-W690 PolarHBondContact O-N 3.29Å
689N61.7Low65.4Low106 Ų10646.4 Ų46.457%0.56722%0.221SC*.THydrogen-bonded Turntrans48.239.3-172.5-78.7-16.5000112.6K685K685-N689 WeakPolarHBondContact O-CA 2.92Å; K685-N689 PolarHBondContact O-N 3.36Å
690W57.7Low63.2Low13 Ų1354.6 Ų54.65%0.04926%0.256CS..  trans-72.2141.9-178.2-73.89.7000112.7A684 K685 L688 H734 K757 V758A684-W690 HydrophobicContact CB-CD2 4.35Å; A684-W690 HydrophobicContact CB-CE3 4.1Å; A684-W690 HydrophobicContact CB-CH2 3.9Å; A684-W690 HydrophobicContact CB-CZ2 4.09Å; A684-W690 HydrophobicContact CB-CZ3 3.92Å; K685-W690 WeakPolarHBondContact CG-O 3.39Å; K685-W690 PolarHBondContact O-N 3.39Å; L688-W690 HydrophobicContact CB-CG 4.13Å; L688-W690 VanDerWaalsContact CD1-CE2 3.47Å; L688-W690 HydrophobicContact CD1-CZ2 3.44Å; L688-W690 VanDerWaalsContact CD1-CZ2 3.44Å; L688-W690 VanDerWaalsContact CD1-NE1 3.29Å; L688-W690 PolarHBondContact O-N 3.29Å; W690-H734 HydrophobicContact CZ3-CB 4.33Å; W690-K757 HydrophobicContact CH2-CB 3.32Å; W690-K757 HydrophobicContact CH2-CD 3.76Å; W690-K757 HydrophobicContact CH2-CG 4.16Å; W690-K757 HydrophobicContact CZ2-CB 3.3Å; W690-K757 HydrophobicContact CZ2-CD 3.1Å; W690-K757 HydrophobicContact CZ2-CG 3.83Å; W690-V758 HydrophobicContact CH2-CG2 3.75Å; W690-V758 HydrophobicContact CZ3-CG2 4.25Å
691H46.6Very low60.8Low177 Ų17758 Ų5882%0.81928%0.277SS*.  trans-115106.7162.1-67.139.3000106.2
692C44.7Very low58.8Low43 Ų4365.2 Ų65.229%0.29132%0.321SS..  trans-75131.5-171.7-72.50000112.8L694 L712C692-L694 HydrophobicContact CB-CD1 3.89Å; C692-L694 HydrophobicContact CB-CG 4.24Å; C692-L694 WeakPolarHBondContact SG-CD1 3.49Å; C692-L712 HydrophobicContact CB-CD1 4.1Å
693R40.6Very low56.9Low187 Ų18769.1 Ų69.171%0.70635%0.353SS*.  trans-116.196.2136.6-68.2177.2-179.1156.7-0.5103.6F733R693-F733 HydrophobicContact CB-CD1 4.27Å; R693-F733 HydrophobicContact CB-CE1 4.41Å; R693-F733 WeakPolarHBondContact O-CD1 3.42Å
694L52Low54.8Low2 Ų270.6 Ų70.61%0.0137%0.37CS..  trans-99.5159.2-177-95.3156000109.6C681 C692 S711 L712 H734 C736C681-L694 HydrophobicContact CB-CD1 4.44Å; C692-L694 HydrophobicContact CB-CD1 3.89Å; C692-L694 HydrophobicContact CB-CG 4.24Å; C692-L694 WeakPolarHBondContact SG-CD1 3.49Å; L694-S711 WeakPolarHBondContact O-CA 3.42Å; L694-S711 WeakPolarHBondContact O-CB 3.12Å; L694-S711 PolarHBondContact O-OG 3.13Å; L694-L712 HydrophobicContact CB-CD1 4.46Å; L694-L712 HydrophobicContact CB-CG 4.18Å; L694-L712 HydrophobicContact CD1-CD1 3.59Å; L694-L712 HydrophobicContact CD1-CG 4.02Å; L694-H734 WeakPolarHBondContact CD2-O 3.44Å; L694-C736 HydrophobicContact CD2-CB 4.09Å
695P43.4Very low53.1Low0 Ų077.4 Ų77.40%040%0.404CS..  trans-123.7143.7135.18.99.9000113.4W709 R710 F733P695-W709 HydrophobicContact CB-CB 3.4Å; P695-W709 VanDerWaalsContact CB-CB 3.4Å; P695-W709 HydrophobicContact CB-CE3 4.12Å; P695-W709 HydrophobicContact CB-CG 4.33Å; P695-W709 HydrophobicContact CG-CB 3.76Å; P695-W709 HydrophobicContact CG-CE3 4.38Å; P695-W709 HydrophobicContact CG-CG 4.46Å; P695-W709 VanDerWaalsContact O-CE3 3.32Å; P695-R710 CarbonylContact C-O 3.59Å; P695-R710 WeakPolarHBondContact CA-O 3.44Å; P695-F733 HydrophobicContact CG-CD1 4.48Å; P695-F733 HydrophobicContact CG-CG 4.48Å
696H54Low51.9Low21 Ų2177.9 Ų77.910%0.09741%0.413CS..EExtended strand (participates in β ladder)trans-105.2155.4169.2-171.655.7000110.5P677 D698 W709 R710 C736 T738P677-H696 WeakPolarHBondContact CB-CE1 3.44Å; P677-H696 WeakPolarHBondContact CB-NE2 3.33Å; P677-H696 VanDerWaalsContact CG-NE2 3.31Å; P677-H696 WeakPolarHBondContact CG-NE2 2.95Å; H696-D698 IonicContact CD2-OD1 3.62Å; H696-W709 CarbonylContact O-C 3.56Å; H696-R710 PolarHBondContact N-O 3.49Å; H696-R710 PolarHBondContact O-N 3.1Å; H696-C736 PolarHBondContact ND1-O 2.87Å; H696-T738 WeakPolarHBondContact CE1-CG2 3.2Å; H696-T738 WeakPolarHBondContact NE2-CG2 3.36Å
697T51Low51.2Low2 Ų275.5 Ų75.51%0.01240%0.4CS..EExtended strand (participates in β ladder)trans-87.5108.7176.651.60000110.3W707 W709 L737 T738 F741T697-W707 HydrophobicContact CG2-CE3 4.32Å; T697-W709 HydrophobicContact CG2-CD2 4.41Å; T697-W709 HydrophobicContact CG2-CE3 4.19Å; T697-W709 HydrophobicContact CG2-CH2 4.39Å; T697-W709 HydrophobicContact CG2-CZ3 4.18Å; T697-L737 HydrophobicContact CG2-CD2 4.46Å; T697-T738 PolarHBondContact OG1-OG1 3.08Å; T697-F741 HydrophobicContact CG2-CD2 3.81Å; T697-F741 HydrophobicContact CG2-CE2 4.11Å; T697-F741 HydrophobicContact CG2-CG 4.26Å
698D51Low50.6Low56 Ų5676.8 Ų76.830%0.29941%0.409SS..EExtended strand (participates in β ladder)trans-91.7145.3172.2-77.5-18.5000111.5H696 F700 R710H696-D698 IonicContact CD2-OD1 3.62Å; D698-F700 VanDerWaalsContact C-N 3.31Å; D698-F700 PolarHBondContact O-N 3.47Å; D698-R710 WeakPolarHBondContact OD2-CD 3.38Å; D698-R710 IonicContact OD2-CZ 2.58Å; D698-R710 IonicContact OD2-NE 2.97Å; D698-R710 IonicContact OD2-NH1 3.98Å; D698-R710 PolarHBondContact OD2-NH1 3.18Å
699D46.5Very low50.8Low91 Ų9176.1 Ų76.149%0.48741%0.406SS..  trans-81.26.9-178.2-74.9-32.2000114.5W707D699-W707 WeakPolarHBondContact OD1-CH2 3.16Å; D699-W707 WeakPolarHBondContact OD1-CZ3 3.39Å
700F34.5Very low51.3Low175 Ų17574.4 Ų74.477%0.76839%0.391SS*.  trans-106.197.2-164.3-80.7-84.4000115.7D698D698-F700 VanDerWaalsContact C-N 3.31Å; D698-F700 PolarHBondContact O-N 3.47Å
701T34.6Very low52.2Low73 Ų7374.1 Ų74.145%0.44839%0.391SS..  trans-139.1126.5135.431.70000110.1S703 G704T701-S703 PolarHBondContact O-N 3.13Å; T701-G704 PolarHBondContact OG1-O 3.05Å
702T41Very low53.2Low156 Ų15667.6 Ų67.696%0.95736%0.362SS*.THydrogen-bonded Turntrans-63.6-0.6-177.28.50000115
703S43.2Very low54.3Low120 Ų12071.3 Ų71.384%0.83938%0.379SS*.THydrogen-bonded Turntrans-131.96.6-170.9490000115.3T701T701-S703 PolarHBondContact O-N 3.13Å
704G40.9Very low55.6Low39 Ų3967.9 Ų67.940%0.40237%0.369SS..SBendtrans159.8147.7-178.600000110.6T701 D706T701-G704 PolarHBondContact OG1-O 3.05Å; G704-D706 VanDerWaalsContact C-N 3.29Å; G704-D706 PolarHBondContact O-N 3.04Å
705I50.5Low56.5Low142 Ų14271.9 Ų71.973%0.72840%0.398SS*.  trans-81.273.3-176.7-47.9172.1000109.4W707I705-W707 HydrophobicContact CG2-CD2 4.5Å; I705-W707 HydrophobicContact CG2-CG 4.39Å; I705-W707 HydrophobicContact CG2-CZ2 4.44Å; I705-W707 PolarHBondContact O-N 3.07Å
706D58.1Low57.9Low131 Ų13174.7 Ų74.770%0.70141%0.412SS*.  trans-91.889.2170.1-84.3-12.4000109.4G704 C708G704-D706 VanDerWaalsContact C-N 3.29Å; G704-D706 PolarHBondContact O-N 3.04Å; D706-C708 PolarHBondContact O-N 3.4Å
707W67.1Low58.9Low34 Ų3479.2 Ų79.213%0.12943%0.433CS..  trans-56.3127.4175-69.795000110.8T697 D699 I705 M720 A740 F741 T744T697-W707 HydrophobicContact CG2-CE3 4.32Å; D699-W707 WeakPolarHBondContact OD1-CH2 3.16Å; D699-W707 WeakPolarHBondContact OD1-CZ3 3.39Å; I705-W707 HydrophobicContact CG2-CD2 4.5Å; I705-W707 HydrophobicContact CG2-CG 4.39Å; I705-W707 HydrophobicContact CG2-CZ2 4.44Å; I705-W707 PolarHBondContact O-N 3.07Å; W707-M720 HydrophobicContact CB-CB 3.88Å; W707-M720 HydrophobicContact CB-CE 4.45Å; W707-M720 HydrophobicContact CB-CG 3.72Å; W707-M720 HydrophobicContact CB-SD 3.91Å; W707-M720 HydrophobicContact CG-CE 4.26Å; W707-M720 HydrophobicContact CG-CG 4.49Å; W707-M720 HydrophobicContact CG-SD 4.2Å; W707-M720 WeakPolarHBondContact O-CA 3.46Å; W707-M720 VanDerWaalsContact O-CB 3.27Å; W707-M720 WeakPolarHBondContact O-CB 3.26Å; W707-M720 PolarHBondContact O-N 2.84Å; W707-A740 HydrophobicContact CH2-CB 3.76Å; W707-F741 AromaticContact CD2-CD2 3.99Å; W707-F741 HydrophobicContact CD2-CD2 3.99Å; W707-F741 AromaticContact CE3-CD2 3.92Å; W707-F741 HydrophobicContact CE3-CD2 3.92Å; W707-F741 HydrophobicContact CG-CD2 4.47Å; W707-F741 HydrophobicContact CH2-CB 4.4Å; W707-F741 HydrophobicContact CZ3-CB 4.35Å; W707-F741 HydrophobicContact CZ3-CD2 4.25Å; W707-T744 HydrophobicContact CZ2-CG2 4.21Å
708C71.9Confident59.9Low31 Ų3179.7 Ų79.721%0.20944%0.436CS..EExtended strand (participates in β ladder)trans-128.1141.5173.7-67.90000110.7D706 Q717 V718D706-C708 PolarHBondContact O-N 3.4Å; C708-Q717 HydrophobicContact CB-CG 3.88Å; C708-Q717 VanDerWaalsContact CB-NE2 3.29Å; C708-Q717 PolarHBondContact SG-NE2 3.2Å; C708-Q717 VanDerWaalsContact SG-NE2 3.39Å; C708-V718 CarbonylContact C-O 3.59Å; C708-V718 WeakPolarHBondContact CA-O 3.14Å
709W75.6Confident61Low0 Ų080.7 Ų80.70%045%0.446CS..EExtended strand (participates in β ladder)trans-77.4116.2168.9-74.2109.2000108.5P695 H696 T697 Q717 V718 P719 M720 L729 L735 L737 L752P695-W709 HydrophobicContact CB-CB 3.4Å; P695-W709 VanDerWaalsContact CB-CB 3.4Å; P695-W709 HydrophobicContact CB-CE3 4.12Å; P695-W709 HydrophobicContact CB-CG 4.33Å; P695-W709 HydrophobicContact CG-CB 3.76Å; P695-W709 HydrophobicContact CG-CE3 4.38Å; P695-W709 HydrophobicContact CG-CG 4.46Å; P695-W709 VanDerWaalsContact O-CE3 3.32Å; H696-W709 CarbonylContact O-C 3.56Å; T697-W709 HydrophobicContact CG2-CD2 4.41Å; T697-W709 HydrophobicContact CG2-CE3 4.19Å; T697-W709 HydrophobicContact CG2-CH2 4.39Å; T697-W709 HydrophobicContact CG2-CZ3 4.18Å; W709-Q717 CarbonylContact O-C 3.6Å; W709-Q717 WeakPolarHBondContact O-CA 3.46Å; W709-V718 HydrophobicContact CB-CB 3.88Å; W709-V718 VanDerWaalsContact CB-O 3.32Å; W709-V718 WeakPolarHBondContact CB-O 3.04Å; W709-V718 PolarHBondContact N-O 3.12Å; W709-V718 PolarHBondContact O-N 3.15Å; W709-P719 VanDerWaalsContact CD1-O 3.3Å; W709-M720 PolarHBondContact NE1-O 2.98Å; W709-L729 HydrophobicContact CG-CD2 4.36Å; W709-L729 HydrophobicContact CZ2-CD1 3.93Å; W709-L735 HydrophobicContact CE3-CD2 4.32Å; W709-L735 HydrophobicContact CH2-CB 4.46Å; W709-L735 HydrophobicContact CH2-CD1 4.45Å; W709-L735 HydrophobicContact CH2-CD2 4.19Å; W709-L735 HydrophobicContact CZ3-CB 4.33Å; W709-L735 HydrophobicContact CZ3-CD2 3.93Å; W709-L737 HydrophobicContact CH2-CD2 3.43Å; W709-L737 VanDerWaalsContact CH2-CD2 3.43Å; W709-L737 HydrophobicContact CH2-CG 4.46Å; W709-L737 HydrophobicContact CZ2-CD2 4.28Å; W709-L737 HydrophobicContact CZ3-CD2 4.04Å; W709-L752 HydrophobicContact CH2-CD2 3.67Å; W709-L752 HydrophobicContact CZ2-CD2 3.61Å
710R72.8Confident62Low70 Ų7078.5 Ų78.526%0.26443%0.433SS..EExtended strand (participates in β ladder)trans-125.1131.7-179.2-177.8-175.7-70.6168.1-7.8114.5P695 H696 D698 I716P695-R710 CarbonylContact C-O 3.59Å; P695-R710 WeakPolarHBondContact CA-O 3.44Å; H696-R710 PolarHBondContact N-O 3.49Å; H696-R710 PolarHBondContact O-N 3.1Å; D698-R710 WeakPolarHBondContact OD2-CD 3.38Å; D698-R710 IonicContact OD2-CZ 2.58Å; D698-R710 IonicContact OD2-NE 2.97Å; D698-R710 IonicContact OD2-NH1 3.98Å; D698-R710 PolarHBondContact OD2-NH1 3.18Å; R710-I716 CarbonylContact C-O 3.05Å; R710-I716 WeakPolarHBondContact CA-O 3.38Å
711S75.8Confident63.7Low7 Ų774.1 Ų74.15%0.04942%0.42CS..  trans-61.8156.1177.5-144.40000115.7L694 D713 K714 I716L694-S711 WeakPolarHBondContact O-CA 3.42Å; L694-S711 WeakPolarHBondContact O-CB 3.12Å; L694-S711 PolarHBondContact O-OG 3.13Å; S711-D713 VanDerWaalsContact C-N 3.26Å; S711-D713 PolarHBondContact O-N 3.14Å; S711-K714 WeakPolarHBondContact O-CA 3.37Å; S711-K714 PolarHBondContact O-N 2.87Å; S711-I716 PolarHBondContact N-O 3.31Å
712L67.6Low65.3Low39 Ų3970.8 Ų70.820%0.20440%0.4CS..THydrogen-bonded Turntrans-56.5-43.3176.3-70.5172.9000110.8L609 L678 C681 C692 L694 K714L609-L712 HydrophobicContact CD2-CB 4.41Å; L609-L712 HydrophobicContact CD2-CD2 4.45Å; L678-L712 HydrophobicContact CD2-CD2 3.44Å; L678-L712 VanDerWaalsContact CD2-CD2 3.44Å; C681-L712 HydrophobicContact CB-CD1 4.4Å; C681-L712 HydrophobicContact CB-CD2 4.48Å; C692-L712 HydrophobicContact CB-CD1 4.1Å; L694-L712 HydrophobicContact CB-CD1 4.46Å; L694-L712 HydrophobicContact CB-CG 4.18Å; L694-L712 HydrophobicContact CD1-CD1 3.59Å; L694-L712 HydrophobicContact CD1-CG 4.02Å; L712-K714 PolarHBondContact O-N 3.26Å
713D67.9Low66.5Low122 Ų12271.8 Ų71.865%0.65240%0.397SS*.THydrogen-bonded Turntrans-81.49176.5-49.2-28.8000112.6S711 S715S711-D713 VanDerWaalsContact C-N 3.26Å; S711-D713 PolarHBondContact O-N 3.14Å; D713-S715 PolarHBondContact O-N 3.32Å
714K68.3Low67.7Low114 Ų11472.2 Ų72.250%0.49639%0.386SS..SBendtrans56.811.7-175.1-55.7174.9176.6159.30114.9E605 S711 L712E605-K714 IonicContact OE1-NZ 3.76Å; E605-K714 PolarHBondContact OE1-NZ 3.38Å; E605-K714 IonicContact OE2-NZ 3.49Å; E605-K714 PolarHBondContact OE2-NZ 3.36Å; S711-K714 WeakPolarHBondContact O-CA 3.37Å; S711-K714 PolarHBondContact O-N 2.87Å; L712-K714 PolarHBondContact O-N 3.26Å
715S70.1Confident69.1Low87 Ų8771.6 Ų71.661%0.60838%0.38SS*.  trans-76.7-27.6-173.3570000115.2D713D713-S715 PolarHBondContact O-N 3.32Å
716I74.2Confident70.1Confident59 Ų5965 Ų6530%0.30335%0.347SS..  trans-126.6128.7-175.1-53.7174000108.4R710 S711 V718R710-I716 CarbonylContact C-O 3.05Å; R710-I716 WeakPolarHBondContact CA-O 3.38Å; S711-I716 PolarHBondContact N-O 3.31Å; I716-V718 HydrophobicContact CG2-CG2 4.13Å
717Q73.4Confident71Confident115 Ų11565.6 Ų65.654%0.53734%0.343SS..EExtended strand (participates in β ladder)trans-126.2130.7172.9-169.4172.8-1200110.4C708 W709C708-Q717 HydrophobicContact CB-CG 3.88Å; C708-Q717 VanDerWaalsContact CB-NE2 3.29Å; C708-Q717 PolarHBondContact SG-NE2 3.2Å; C708-Q717 VanDerWaalsContact SG-NE2 3.39Å; W709-Q717 CarbonylContact O-C 3.6Å; W709-Q717 WeakPolarHBondContact O-CA 3.46Å
718V73.9Confident71.5Confident13 Ų1367.6 Ų67.68%0.07935%0.351CS..EExtended strand (participates in β ladder)trans-127.5141.9-178.6-178.40000108.6C708 W709 I716 P722 Y728 L729C708-V718 CarbonylContact C-O 3.59Å; C708-V718 WeakPolarHBondContact CA-O 3.14Å; W709-V718 HydrophobicContact CB-CB 3.88Å; W709-V718 VanDerWaalsContact CB-O 3.32Å; W709-V718 WeakPolarHBondContact CB-O 3.04Å; W709-V718 PolarHBondContact N-O 3.12Å; W709-V718 PolarHBondContact O-N 3.15Å; I716-V718 HydrophobicContact CG2-CG2 4.13Å; V718-P722 HydrophobicContact CG1-CB 4.41Å; V718-P722 HydrophobicContact CG1-CG 3.88Å; V718-Y728 HydrophobicContact CG1-CE1 4.4Å; V718-L729 HydrophobicContact CG1-CD2 4.19Å
719P72.5Confident71.6Confident77 Ų7766.1 Ų66.150%0.534%0.342SS..EExtended strand (participates in β ladder)trans-68.6153.7177.127.6-36.3000112.8W709 V721W709-P719 VanDerWaalsContact CD1-O 3.3Å; P719-V721 VanDerWaalsContact C-N 3.33Å; P719-V721 PolarHBondContact O-N 3.03Å
720M68.9Low71.6Confident45 Ų4567.5 Ų67.522%0.22235%0.35CS..SBendtrans-41.4-53.3-177.2-167.9-171.3-172.100114.3W707 W709 F741 T744 F748W707-M720 HydrophobicContact CB-CB 3.88Å; W707-M720 HydrophobicContact CB-CE 4.45Å; W707-M720 HydrophobicContact CB-CG 3.72Å; W707-M720 HydrophobicContact CB-SD 3.91Å; W707-M720 HydrophobicContact CG-CE 4.26Å; W707-M720 HydrophobicContact CG-CG 4.49Å; W707-M720 HydrophobicContact CG-SD 4.2Å; W707-M720 WeakPolarHBondContact O-CA 3.46Å; W707-M720 VanDerWaalsContact O-CB 3.27Å; W707-M720 WeakPolarHBondContact O-CB 3.26Å; W707-M720 PolarHBondContact O-N 2.84Å; W709-M720 PolarHBondContact NE1-O 2.98Å; M720-F741 HydrophobicContact CE-CD2 4.31Å; M720-F741 HydrophobicContact CE-CE2 3.42Å; M720-F741 VanDerWaalsContact CE-CE2 3.42Å; M720-F741 HydrophobicContact CE-CZ 3.85Å; M720-F741 HydrophobicContact CG-CE2 4.07Å; M720-F741 HydrophobicContact CG-CZ 4.5Å; M720-T744 HydrophobicContact CE-CG2 3.82Å; M720-F748 WeakPolarHBondContact O-CZ 3.26Å
721V69.7Low71.8Confident82 Ų8270.3 Ų70.350%0.49737%0.37SS..SBendtrans-114.6102.2174.3-1760000106.4P719 F748P719-V721 VanDerWaalsContact C-N 3.33Å; P719-V721 PolarHBondContact O-N 3.03Å; V721-F748 HydrophobicContact CG1-CE2 4.37Å; V721-F748 HydrophobicContact CG2-CD2 4.24Å; V721-F748 HydrophobicContact CG2-CE2 4.13Å; V721-F748 HydrophobicContact CG2-CG 4.49Å; V721-F748 HydrophobicContact CG2-CZ 4.28Å
722P67Low71.7Confident3 Ų374.6 Ų74.62%0.01939%0.393CS..  trans-59.4148.3173.1-1929.7000110V718 Q724 G725 Y728 L729V718-P722 HydrophobicContact CG1-CB 4.41Å; V718-P722 HydrophobicContact CG1-CG 3.88Å; P722-Q724 PolarHBondContact O-N 2.86Å; P722-Q724 VanDerWaalsContact O-N 3.13Å; P722-G725 PolarHBondContact O-N 3.44Å; P722-Y728 HydrophobicContact CB-CD1 4.07Å; P722-Y728 HydrophobicContact CG-CD1 4.12Å; P722-L729 HydrophobicContact CG-CD1 3.94Å; P722-L729 HydrophobicContact CG-CD2 3.86Å; P722-L729 HydrophobicContact CG-CG 3.74Å
723I68Low72.1Confident177 Ų17773.7 Ų73.791%0.90839%0.387SS*.THydrogen-bonded Turntrans-57.7-30.1175-56.9167.1000110.4G725I723-G725 VanDerWaalsContact C-N 3.25Å; I723-G725 PolarHBondContact O-N 3.36Å
724Q67Low72.6Confident129 Ų12971.3 Ų71.360%0.60337%0.372SS*.THydrogen-bonded Turntrans-76.4-1.3176.3-56.498-10.300114.7P722 Y728P722-Q724 PolarHBondContact O-N 2.86Å; P722-Q724 VanDerWaalsContact O-N 3.13Å; Q724-Y728 HydrophobicContact CB-CD2 4.35Å; Q724-Y728 HydrophobicContact CB-CG 4.07Å; Q724-Y728 HydrophobicContact CG-CD2 4.42Å
725G71.2Confident73.3Confident27 Ų2765.9 Ų65.928%0.27835%0.348SS..  trans81.5178.6-17900000114.7P722 I723 K727 Y728P722-G725 PolarHBondContact O-N 3.44Å; I723-G725 VanDerWaalsContact C-N 3.25Å; I723-G725 PolarHBondContact O-N 3.36Å; G725-K727 PolarHBondContact O-N 3.31Å; G725-Y728 PolarHBondContact O-N 3.46Å
726A71.8Confident74Confident4 Ų461.8 Ų61.83%0.03332%0.32CS..Hα-helixtrans-60.8-31.2-176.900000113.2Y728 L729 T730 F748 E751A726-Y728 VanDerWaalsContact C-N 3.28Å; A726-Y728 PolarHBondContact O-N 3.49Å; A726-L729 WeakPolarHBondContact O-CB 3.24Å; A726-L729 PolarHBondContact O-N 2.93Å; A726-T730 PolarHBondContact O-N 3.45Å; A726-F748 HydrophobicContact CB-CE2 3.89Å; A726-E751 HydrophobicContact CB-CG 3.96Å
727K76.3Confident74.6Confident142 Ų14259 Ų5962%0.61731%0.305SS*.Hα-helixtrans-58.9-34.7179.7-67.4-175.4179.5179.30114G725 L729 T730 D731G725-K727 PolarHBondContact O-N 3.31Å; K727-L729 PolarHBondContact O-N 3.02Å; K727-T730 WeakPolarHBondContact CA-OG1 3.42Å; K727-T730 PolarHBondContact O-N 3.22Å; K727-T730 PolarHBondContact O-OG1 3.28Å; K727-D731 WeakPolarHBondContact O-CB 3.34Å; K727-D731 PolarHBondContact O-N 3.26Å
728Y77.8Confident75.1Confident77 Ų7753.7 Ų53.730%0.30228%0.281SS..Hα-helixtrans-60.7-35.8175.7171.8-97.9000112.1V718 P722 Q724 G725 A726 N732 F733V718-Y728 HydrophobicContact CG1-CE1 4.4Å; P722-Y728 HydrophobicContact CB-CD1 4.07Å; P722-Y728 HydrophobicContact CG-CD1 4.12Å; Q724-Y728 HydrophobicContact CB-CD2 4.35Å; Q724-Y728 HydrophobicContact CB-CG 4.07Å; Q724-Y728 HydrophobicContact CG-CD2 4.42Å; G725-Y728 PolarHBondContact O-N 3.46Å; A726-Y728 VanDerWaalsContact C-N 3.28Å; A726-Y728 PolarHBondContact O-N 3.49Å; Y728-N732 VanDerWaalsContact CD2-ND2 3.27Å; Y728-N732 WeakPolarHBondContact CD2-ND2 3.43Å; Y728-N732 WeakPolarHBondContact CE2-ND2 3.37Å; Y728-N732 WeakPolarHBondContact O-CB 3.29Å; Y728-N732 PolarHBondContact O-N 3.14Å; Y728-N732 PolarHBondContact O-ND2 2.88Å; Y728-F733 AromaticContact CE1-CE2 3.82Å; Y728-F733 HydrophobicContact CE1-CE2 3.82Å
729L74.5Confident75.4Confident0 Ų053.2 Ų53.20%028%0.278CS..Hα-helixtrans-70.8-44.7176.9-63.9170.8000111W709 V718 P722 A726 K727 F733 L735 F748 L752W709-L729 HydrophobicContact CG-CD2 4.36Å; W709-L729 HydrophobicContact CZ2-CD1 3.93Å; V718-L729 HydrophobicContact CG1-CD2 4.19Å; P722-L729 HydrophobicContact CG-CD1 3.94Å; P722-L729 HydrophobicContact CG-CD2 3.86Å; P722-L729 HydrophobicContact CG-CG 3.74Å; A726-L729 WeakPolarHBondContact O-CB 3.24Å; A726-L729 PolarHBondContact O-N 2.93Å; K727-L729 PolarHBondContact O-N 3.02Å; L729-F733 HydrophobicContact CD2-CD2 4.46Å; L729-F733 CarbonylContact O-C 3.6Å; L729-F733 WeakPolarHBondContact O-CA 3.43Å; L729-F733 WeakPolarHBondContact O-CB 3.46Å; L729-F733 PolarHBondContact O-N 3.25Å; L729-F733 VanDerWaalsContact O-O 3.04Å; L729-L735 HydrophobicContact CB-CD1 4.22Å; L729-L735 HydrophobicContact CB-CD2 4.11Å; L729-F748 HydrophobicContact CD1-CZ 4.28Å; L729-L752 HydrophobicContact CD1-CD1 4.44Å
730T75.5Confident75.7Confident28 Ų2851.5 Ų51.517%0.17227%0.271CS..Hα-helixtrans-71.8-33.3-173.759.90000113.7A726 K727 L735 L752 H755A726-T730 PolarHBondContact O-N 3.45Å; K727-T730 WeakPolarHBondContact CA-OG1 3.42Å; K727-T730 PolarHBondContact O-N 3.22Å; K727-T730 PolarHBondContact O-OG1 3.28Å; T730-L735 HydrophobicContact CG2-CD1 4.48Å; T730-L752 HydrophobicContact CG2-CD1 4.27Å; T730-H755 HydrophobicContact CG2-CB 3.42Å; T730-H755 VanDerWaalsContact CG2-CB 3.42Å
731D76.2Confident76.1Confident130 Ų13049.4 Ų49.470%0.69526%0.26SS*.Hα-helixtrans-82-33-176.6-67.1-8.9000112K727K727-D731 WeakPolarHBondContact O-CB 3.34Å; K727-D731 PolarHBondContact O-N 3.26Å
732N74.1Confident76.4Confident97 Ų9745.6 Ų45.652%0.51924%0.237SC..Hα-helixtrans-100.2-25.7-174.8-63.1-62.6000113.6Y728Y728-N732 VanDerWaalsContact CD2-ND2 3.27Å; Y728-N732 WeakPolarHBondContact CD2-ND2 3.43Å; Y728-N732 WeakPolarHBondContact CE2-ND2 3.37Å; Y728-N732 WeakPolarHBondContact O-CB 3.29Å; Y728-N732 PolarHBondContact O-N 3.14Å; Y728-N732 PolarHBondContact O-ND2 2.88Å
733F75.7Confident76.8Confident19 Ų1952.2 Ų52.28%0.08327%0.272CS..  trans-130148.6-171.2-53.9-80.3000111.6R693 P695 Y728 L729 L735R693-F733 HydrophobicContact CB-CD1 4.27Å; R693-F733 HydrophobicContact CB-CE1 4.41Å; R693-F733 WeakPolarHBondContact O-CD1 3.42Å; P695-F733 HydrophobicContact CG-CD1 4.48Å; P695-F733 HydrophobicContact CG-CG 4.48Å; Y728-F733 AromaticContact CE1-CE2 3.82Å; Y728-F733 HydrophobicContact CE1-CE2 3.82Å; L729-F733 HydrophobicContact CD2-CD2 4.46Å; L729-F733 CarbonylContact O-C 3.6Å; L729-F733 WeakPolarHBondContact O-CA 3.43Å; L729-F733 WeakPolarHBondContact O-CB 3.46Å; L729-F733 PolarHBondContact O-N 3.25Å; L729-F733 VanDerWaalsContact O-O 3.04Å; F733-L735 HydrophobicContact CB-CD2 4.11Å
734H78Confident77Confident73 Ų7345.1 Ų45.134%0.33824%0.237SC..  trans-88.3144.7159.5-62-26000107.4W690 L694 K757W690-H734 HydrophobicContact CZ3-CB 4.33Å; L694-H734 WeakPolarHBondContact CD2-O 3.44Å; H734-K757 HydrophobicContact CB-CD 4.29Å; H734-K757 PolarHBondContact CD2-NZ 3.33Å; H734-K757 PolarHBondContact CE1-NZ 2.89Å; H734-K757 PolarHBondContact ND1-NZ 3.27Å; H734-K757 PolarHBondContact NE2-NZ 2.84Å
735L83.3Confident77.4Confident0 Ų044.1 Ų44.10%024%0.236CC..EExtended strand (participates in β ladder)trans-116.7140.4-167.5-55.7174.8000111.6W709 L729 T730 F733 L752 V756 K757 V758W709-L735 HydrophobicContact CE3-CD2 4.32Å; W709-L735 HydrophobicContact CH2-CB 4.46Å; W709-L735 HydrophobicContact CH2-CD1 4.45Å; W709-L735 HydrophobicContact CH2-CD2 4.19Å; W709-L735 HydrophobicContact CZ3-CB 4.33Å; W709-L735 HydrophobicContact CZ3-CD2 3.93Å; L729-L735 HydrophobicContact CB-CD1 4.22Å; L729-L735 HydrophobicContact CB-CD2 4.11Å; T730-L735 HydrophobicContact CG2-CD1 4.48Å; F733-L735 HydrophobicContact CB-CD2 4.11Å; L735-L752 HydrophobicContact CD1-CD1 3.38Å; L735-L752 HydrophobicContact CD1-CD2 4.27Å; L735-L752 HydrophobicContact CD1-CG 3.83Å; L735-V756 HydrophobicContact CB-CG2 4.05Å; L735-V756 HydrophobicContact CD1-CG2 4.27Å; L735-K757 PolarHBondContact O-N 3.18Å; L735-V758 PolarHBondContact O-N 3.03Å
736C84.5Confident77.6Confident1 Ų147.8 Ų47.81%0.00725%0.247CC..EExtended strand (participates in β ladder)trans-122.3117.8170.6179.30000110.4L694 H696 V758L694-C736 HydrophobicContact CD2-CB 4.09Å; H696-C736 PolarHBondContact ND1-O 2.87Å; C736-V758 CarbonylContact C-O 3.21Å; C736-V758 VanDerWaalsContact CA-O 3.24Å; C736-V758 WeakPolarHBondContact CA-O 3.48Å; C736-V758 HydrophobicContact CB-CB 4.21Å; C736-V758 HydrophobicContact CB-CG1 4.49Å
737L86.2Confident78Confident0 Ų050.7 Ų50.70%027%0.271CS..EExtended strand (participates in β ladder)trans-102.4142.1179.8-71.7-177.3000112.2T697 W709 F741 L752 V756 V758 F759 A760T697-L737 HydrophobicContact CG2-CD2 4.46Å; W709-L737 HydrophobicContact CH2-CD2 3.43Å; W709-L737 VanDerWaalsContact CH2-CD2 3.43Å; W709-L737 HydrophobicContact CH2-CG 4.46Å; W709-L737 HydrophobicContact CZ2-CD2 4.28Å; W709-L737 HydrophobicContact CZ3-CD2 4.04Å; L737-F741 HydrophobicContact CD1-CD1 4.21Å; L737-F741 HydrophobicContact CD2-CD1 3.44Å; L737-F741 VanDerWaalsContact CD2-CD1 3.44Å; L737-F741 HydrophobicContact CD2-CE1 3.72Å; L737-F741 HydrophobicContact CD2-CG 4.08Å; L737-F741 HydrophobicContact CG-CD1 4.36Å; L737-L752 HydrophobicContact CD1-CD2 4.24Å; L737-L752 HydrophobicContact CD2-CD2 4.15Å; L737-V756 HydrophobicContact CB-CG1 4.3Å; L737-V756 HydrophobicContact CD1-CB 4.37Å; L737-V756 HydrophobicContact CD1-CG1 4.11Å; L737-V756 HydrophobicContact CD1-CG2 3.6Å; L737-V756 HydrophobicContact CG-CG1 3.97Å; L737-V756 HydrophobicContact CG-CG2 3.91Å; L737-V758 PolarHBondContact N-O 2.84Å; L737-F759 HydrophobicContact CB-CD1 4.03Å; L737-F759 HydrophobicContact CB-CE1 4.43Å; L737-F759 HydrophobicContact CD1-CD1 4.27Å; L737-F759 HydrophobicContact CD1-CE1 3.85Å; L737-F759 WeakPolarHBondContact O-CA 3.49Å; L737-A760 PolarHBondContact O-N 3.49Å
738T84.6Confident78.1Confident4 Ų445 Ų453%0.02525%0.247CC..EExtended strand (participates in β ladder)trans-88.1157.3167.756.90000112.7H696 T697 A740 F741 A760H696-T738 WeakPolarHBondContact CE1-CG2 3.2Å; H696-T738 WeakPolarHBondContact NE2-CG2 3.36Å; T697-T738 PolarHBondContact OG1-OG1 3.08Å; T738-A740 PolarHBondContact O-N 2.91Å; T738-F741 WeakPolarHBondContact O-CB 3.36Å; T738-F741 PolarHBondContact O-N 3.29Å; T738-F741 PolarHBondContact OG1-N 2.88Å; T738-A760 CarbonylContact C-O 3.48Å; T738-A760 VanDerWaalsContact CA-O 3.3Å; T738-A760 WeakPolarHBondContact CA-O 3.44Å
739G79.5Confident78.3Confident2 Ų241.3 Ų41.32%0.02123%0.232CC..G310 helixtrans-55.7-31.9167.600000114.3F741 M742 A760 R761 Q766G739-F741 VanDerWaalsContact C-N 3.32Å; G739-F741 PolarHBondContact O-N 3.14Å; G739-M742 WeakPolarHBondContact O-CB 3.26Å; G739-M742 PolarHBondContact O-N 3.3Å; G739-A760 PolarHBondContact N-O 3.24Å; G739-R761 WeakPolarHBondContact CA-O 2.96Å; G739-Q766 VanDerWaalsContact CA-OE1 3.27Å; G739-Q766 PolarHBondContact O-NE2 3.27Å
740A78.9Confident78.7Confident42 Ų4243.8 Ų43.835%0.34725%0.245SC..G310 helixtrans-65.6-35.7178.500000112.2W707 T738 M742 N743W707-A740 HydrophobicContact CH2-CB 3.76Å; T738-A740 PolarHBondContact O-N 2.91Å; A740-M742 PolarHBondContact O-N 3.46Å; A740-N743 PolarHBondContact O-N 3.24Å
741F77.6Confident79Confident0 Ų047 Ų470%026%0.258CS..G310 helixtrans-65.6-22.3176.8-168.6-101.6000113.4T697 W707 M720 L737 T738 G739 N743 T744 F748 L749 L752T697-F741 HydrophobicContact CG2-CD2 3.81Å; T697-F741 HydrophobicContact CG2-CE2 4.11Å; T697-F741 HydrophobicContact CG2-CG 4.26Å; W707-F741 AromaticContact CD2-CD2 3.99Å; W707-F741 HydrophobicContact CD2-CD2 3.99Å; W707-F741 AromaticContact CE3-CD2 3.92Å; W707-F741 HydrophobicContact CE3-CD2 3.92Å; W707-F741 HydrophobicContact CG-CD2 4.47Å; W707-F741 HydrophobicContact CH2-CB 4.4Å; W707-F741 HydrophobicContact CZ3-CB 4.35Å; W707-F741 HydrophobicContact CZ3-CD2 4.25Å; M720-F741 HydrophobicContact CE-CD2 4.31Å; M720-F741 HydrophobicContact CE-CE2 3.42Å; M720-F741 VanDerWaalsContact CE-CE2 3.42Å; M720-F741 HydrophobicContact CE-CZ 3.85Å; M720-F741 HydrophobicContact CG-CE2 4.07Å; M720-F741 HydrophobicContact CG-CZ 4.5Å; L737-F741 HydrophobicContact CD1-CD1 4.21Å; L737-F741 HydrophobicContact CD2-CD1 3.44Å; L737-F741 VanDerWaalsContact CD2-CD1 3.44Å; L737-F741 HydrophobicContact CD2-CE1 3.72Å; L737-F741 HydrophobicContact CD2-CG 4.08Å; L737-F741 HydrophobicContact CG-CD1 4.36Å; T738-F741 WeakPolarHBondContact O-CB 3.36Å; T738-F741 PolarHBondContact O-N 3.29Å; T738-F741 PolarHBondContact OG1-N 2.88Å; G739-F741 VanDerWaalsContact C-N 3.32Å; G739-F741 PolarHBondContact O-N 3.14Å; F741-N743 PolarHBondContact O-N 3.25Å; F741-T744 HydrophobicContact CD2-CG2 4.12Å; F741-T744 HydrophobicContact CE2-CG2 4.43Å; F741-T744 WeakPolarHBondContact O-CB 3.42Å; F741-T744 VanDerWaalsContact O-CG2 3.31Å; F741-T744 WeakPolarHBondContact O-CG2 3.44Å; F741-T744 PolarHBondContact O-N 3.01Å; F741-T744 VanDerWaalsContact O-N 3.14Å; F741-T744 PolarHBondContact O-OG1 2.98Å; F741-F748 HydrophobicContact CE1-CD1 4.5Å; F741-F748 HydrophobicContact CZ-CD1 4.04Å; F741-F748 AromaticContact CZ-CE1 3.93Å; F741-F748 HydrophobicContact CZ-CE1 3.93Å; F741-L749 HydrophobicContact CD1-CD2 3.47Å; F741-L749 VanDerWaalsContact CD1-CD2 3.47Å; F741-L749 HydrophobicContact CE1-CD2 3.42Å; F741-L749 VanDerWaalsContact CE1-CD2 3.42Å; F741-L749 HydrophobicContact CE1-CG 4.35Å; F741-L752 HydrophobicContact CE1-CD2 4.44Å
742M77.1Confident79.3Confident3 Ų340.9 Ų40.92%0.01523%0.225CC..G310 helixtrans-66.1-17.4-179.1-65.4-64.2-62.700114G739 A740 T744 L749 M762 L769 I770 M773G739-M742 WeakPolarHBondContact O-CB 3.26Å; G739-M742 PolarHBondContact O-N 3.3Å; A740-M742 PolarHBondContact O-N 3.46Å; M742-T744 VanDerWaalsContact C-N 3.3Å; M742-L749 WeakPolarHBondContact O-CD1 3.21Å; M742-L749 HydrophobicContact SD-CD2 4.42Å; M742-M762 HydrophobicContact CG-CE 3.55Å; M742-M762 HydrophobicContact CG-SD 4.45Å; M742-M762 HydrophobicContact SD-CE 4.07Å; M742-L769 HydrophobicContact CE-CB 4.47Å; M742-L769 HydrophobicContact CE-CD2 3.84Å; M742-L769 HydrophobicContact CE-CG 4.1Å; M742-I770 HydrophobicContact CE-CG1 3.66Å; M742-I770 HydrophobicContact SD-CG1 4.22Å; M742-M773 HydrophobicContact CE-SD 4.25Å
743N74.2Confident79.9Confident141 Ų14136.3 Ų36.375%0.75420%0.201SC*.G310 helixtrans-87.42.3177.8-66.2-18.2000113.2A740 F741A740-N743 PolarHBondContact O-N 3.24Å; F741-N743 PolarHBondContact O-N 3.25Å
744T72.4Confident80.4Confident28 Ų2836.1 Ų36.117%0.17220%0.202CC..SBendtrans-84.4-166.6-178.867.40000112.2W707 M720 F741 M742 M746W707-T744 HydrophobicContact CZ2-CG2 4.21Å; M720-T744 HydrophobicContact CE-CG2 3.82Å; F741-T744 HydrophobicContact CD2-CG2 4.12Å; F741-T744 HydrophobicContact CE2-CG2 4.43Å; F741-T744 WeakPolarHBondContact O-CB 3.42Å; F741-T744 VanDerWaalsContact O-CG2 3.31Å; F741-T744 WeakPolarHBondContact O-CG2 3.44Å; F741-T744 PolarHBondContact O-N 3.01Å; F741-T744 VanDerWaalsContact O-N 3.14Å; F741-T744 PolarHBondContact O-OG1 2.98Å; M742-T744 VanDerWaalsContact C-N 3.3Å; T744-M746 PolarHBondContact O-N 3.42Å; T744-M746 VanDerWaalsContact O-N 3.09Å
745N74.9Confident80.7Confident108 Ų10837.4 Ų37.458%0.57821%0.208SC*.  trans-58.5114.1-174.8-173.9-9000112.4A747 F748 L749N745-A747 PolarHBondContact O-N 2.85Å; N745-A747 PolarHBondContact OD1-N 2.84Å; N745-A747 VanDerWaalsContact OD1-N 3.08Å; N745-F748 PolarHBondContact O-N 3.49Å; N745-L749 PolarHBondContact O-N 2.76Å; N745-L749 VanDerWaalsContact O-N 3.15Å
746M77.2Confident80.8Confident104 Ų10437.4 Ų37.451%0.51221%0.208SC..Hα-helixtrans-57.6-30.9-179.2-74.7-157152.700114T744 L750 M773T744-M746 PolarHBondContact O-N 3.42Å; T744-M746 VanDerWaalsContact O-N 3.09Å; M746-L750 WeakPolarHBondContact O-CB 3.29Å; M746-L750 WeakPolarHBondContact O-CD1 3.34Å; M746-L750 VanDerWaalsContact O-CG 3.23Å; M746-L750 WeakPolarHBondContact O-CG 3.14Å; M746-L750 PolarHBondContact O-N 3.5Å; M746-M773 HydrophobicContact CE-CE 4.21Å
747A78.6Confident80.9Confident66 Ų6639.4 Ų39.455%0.54522%0.216SC..Hα-helixtrans-67.5-43-179.800000112.2N745 E751N745-A747 PolarHBondContact O-N 2.85Å; N745-A747 PolarHBondContact OD1-N 2.84Å; N745-A747 VanDerWaalsContact OD1-N 3.08Å; A747-E751 PolarHBondContact O-N 2.78Å
748F79.4Confident81Confident22 Ų2239.4 Ų39.410%0.09622%0.216CC..Hα-helixtrans-70.7-40.8177.8-176.5-109.4000111.6M720 V721 A726 L729 F741 N745 L750 E751 L752M720-F748 WeakPolarHBondContact O-CZ 3.26Å; V721-F748 HydrophobicContact CG1-CE2 4.37Å; V721-F748 HydrophobicContact CG2-CD2 4.24Å; V721-F748 HydrophobicContact CG2-CE2 4.13Å; V721-F748 HydrophobicContact CG2-CG 4.49Å; V721-F748 HydrophobicContact CG2-CZ 4.28Å; A726-F748 HydrophobicContact CB-CE2 3.89Å; L729-F748 HydrophobicContact CD1-CZ 4.28Å; F741-F748 HydrophobicContact CE1-CD1 4.5Å; F741-F748 HydrophobicContact CZ-CD1 4.04Å; F741-F748 AromaticContact CZ-CE1 3.93Å; F741-F748 HydrophobicContact CZ-CE1 3.93Å; N745-F748 PolarHBondContact O-N 3.49Å; F748-L750 VanDerWaalsContact C-N 3.32Å; F748-L750 PolarHBondContact O-N 2.95Å; F748-E751 PolarHBondContact O-N 3.33Å; F748-L752 HydrophobicContact CE1-CD2 4.21Å; F748-L752 PolarHBondContact O-N 3.48Å
749L81.4Confident81.3Confident0 Ų039.2 Ų39.20%022%0.215CC..Hα-helixtrans-57.7-44.1174.8-75.6167.7000111.9F741 M742 N745 E751 L752 V753 M773F741-L749 HydrophobicContact CD1-CD2 3.47Å; F741-L749 VanDerWaalsContact CD1-CD2 3.47Å; F741-L749 HydrophobicContact CE1-CD2 3.42Å; F741-L749 VanDerWaalsContact CE1-CD2 3.42Å; F741-L749 HydrophobicContact CE1-CG 4.35Å; M742-L749 WeakPolarHBondContact O-CD1 3.21Å; M742-L749 HydrophobicContact SD-CD2 4.42Å; N745-L749 PolarHBondContact O-N 2.76Å; N745-L749 VanDerWaalsContact O-N 3.15Å; L749-E751 VanDerWaalsContact C-N 3.34Å; L749-E751 PolarHBondContact O-N 3.41Å; L749-L752 PolarHBondContact O-N 2.69Å; L749-V753 WeakPolarHBondContact O-CB 3.23Å; L749-V753 WeakPolarHBondContact O-CG2 3.44Å; L749-V753 PolarHBondContact O-N 2.94Å; L749-M773 HydrophobicContact CB-CE 4.39Å
750L82.5Confident81.6Confident52 Ų5239.1 Ų39.127%0.27221%0.214SC..Hα-helixtrans-57.9-45.1178-77.1165.5000111.4M746 F748 L752 P754 M773 Q777M746-L750 WeakPolarHBondContact O-CB 3.29Å; M746-L750 WeakPolarHBondContact O-CD1 3.34Å; M746-L750 VanDerWaalsContact O-CG 3.23Å; M746-L750 WeakPolarHBondContact O-CG 3.14Å; M746-L750 PolarHBondContact O-N 3.5Å; F748-L750 VanDerWaalsContact C-N 3.32Å; F748-L750 PolarHBondContact O-N 2.95Å; L750-L752 VanDerWaalsContact C-N 3.29Å; L750-L752 PolarHBondContact O-N 3.48Å; L750-P754 WeakPolarHBondContact O-CD 3.37Å; L750-M773 HydrophobicContact CD2-CB 4.05Å; L750-M773 HydrophobicContact CD2-CG 3.96Å; L750-Q777 PolarHBondContact O-NE2 2.94Å; L750-Q777 PolarHBondContact O-OE1 3.11Å
751E82.1Confident81.9Confident96 Ų9642.4 Ų42.445%0.44922%0.218SC..Hα-helixtrans-64.6-33.6179-167.8174.5-179.900112.7A726 A747 F748 L749A726-E751 HydrophobicContact CB-CG 3.96Å; A747-E751 PolarHBondContact O-N 2.78Å; F748-E751 PolarHBondContact O-N 3.33Å; L749-E751 VanDerWaalsContact C-N 3.34Å; L749-E751 PolarHBondContact O-N 3.41Å
752L82.9Confident82.4Confident0 Ų042.7 Ų42.70%022%0.219CC..Hα-helixtrans-85.2-39.7-172-158.468.7000114.1W709 L729 T730 L735 L737 F741 F748 L749 L750 P754 H755 V756W709-L752 HydrophobicContact CH2-CD2 3.67Å; W709-L752 HydrophobicContact CZ2-CD2 3.61Å; L729-L752 HydrophobicContact CD1-CD1 4.44Å; T730-L752 HydrophobicContact CG2-CD1 4.27Å; L735-L752 HydrophobicContact CD1-CD1 3.38Å; L735-L752 HydrophobicContact CD1-CD2 4.27Å; L735-L752 HydrophobicContact CD1-CG 3.83Å; L737-L752 HydrophobicContact CD1-CD2 4.24Å; L737-L752 HydrophobicContact CD2-CD2 4.15Å; F741-L752 HydrophobicContact CE1-CD2 4.44Å; F748-L752 HydrophobicContact CE1-CD2 4.21Å; F748-L752 PolarHBondContact O-N 3.48Å; L749-L752 PolarHBondContact O-N 2.69Å; L750-L752 VanDerWaalsContact C-N 3.29Å; L750-L752 PolarHBondContact O-N 3.48Å; L752-P754 VanDerWaalsContact C-CD 3.45Å; L752-H755 PolarHBondContact O-N 2.94Å; L752-V756 HydrophobicContact CD2-CG2 4.3Å; L752-V756 HydrophobicContact CG-CG2 3.91Å; L752-V756 WeakPolarHBondContact O-CG2 3.29Å; L752-V756 PolarHBondContact O-N 3.44Å
753V87.5Confident82.7Confident1 Ų144.8 Ų44.81%0.00624%0.237CC..G310 helixtrans-50.4-42.1-169.6161.50000114.6L749 H755 V756 F759 I770 M773 L774L749-V753 WeakPolarHBondContact O-CB 3.23Å; L749-V753 WeakPolarHBondContact O-CG2 3.44Å; L749-V753 PolarHBondContact O-N 2.94Å; V753-H755 PolarHBondContact O-N 2.68Å; V753-V756 PolarHBondContact O-N 3.02Å; V753-F759 HydrophobicContact CG1-CZ 4.23Å; V753-F759 HydrophobicContact CG2-CE1 4.35Å; V753-F759 HydrophobicContact CG2-CZ 4.5Å; V753-I770 HydrophobicContact CG1-CG2 4.15Å; V753-M773 HydrophobicContact CG1-CB 4.37Å; V753-M773 HydrophobicContact CG2-SD 4.18Å; V753-L774 HydrophobicContact CG1-CD1 4.48Å; V753-L774 HydrophobicContact CG1-CD2 3.62Å; V753-L774 HydrophobicContact CG1-CG 3.68Å
754P85.4Confident83Confident16 Ų1641.2 Ų41.210%0.10422%0.221CC..G310 helixtrans-60.9-24.4176.8-28.538.2000115.7L750 L752 L774 I779L750-P754 WeakPolarHBondContact O-CD 3.37Å; L752-P754 VanDerWaalsContact C-CD 3.45Å; P754-L774 HydrophobicContact CB-CD2 4.35Å; P754-L774 HydrophobicContact CG-CD2 4.16Å; P754-I779 HydrophobicContact CB-CD1 3.74Å; P754-I779 HydrophobicContact CG-CD1 3.68Å
755H84.2Confident83.4Confident99 Ų9945.8 Ų45.846%0.45824%0.239SC..G310 helixtrans-100.3-9.4-174.8-60.2-73.8000112.3T730 L752 V753T730-H755 HydrophobicContact CG2-CB 3.42Å; T730-H755 VanDerWaalsContact CG2-CB 3.42Å; L752-H755 PolarHBondContact O-N 2.94Å; V753-H755 PolarHBondContact O-N 2.68Å
756V85.7Confident84Confident0 Ų042.2 Ų42.20%022%0.218CC..EExtended strand (participates in β ladder)trans-79.6129178.7176.50000109.7S670 L735 L737 L752 V753 V758 F759S670-V756 PolarHBondContact OG-O 3.26Å; L735-V756 HydrophobicContact CB-CG2 4.05Å; L735-V756 HydrophobicContact CD1-CG2 4.27Å; L737-V756 HydrophobicContact CB-CG1 4.3Å; L737-V756 HydrophobicContact CD1-CB 4.37Å; L737-V756 HydrophobicContact CD1-CG1 4.11Å; L737-V756 HydrophobicContact CD1-CG2 3.6Å; L737-V756 HydrophobicContact CG-CG1 3.97Å; L737-V756 HydrophobicContact CG-CG2 3.91Å; L752-V756 HydrophobicContact CD2-CG2 4.3Å; L752-V756 HydrophobicContact CG-CG2 3.91Å; L752-V756 WeakPolarHBondContact O-CG2 3.29Å; L752-V756 PolarHBondContact O-N 3.44Å; V753-V756 PolarHBondContact O-N 3.02Å; V756-V758 VanDerWaalsContact CG1-O 3.29Å; V756-V758 WeakPolarHBondContact CG1-O 3.21Å; V756-F759 HydrophobicContact CB-CE1 4.02Å; V756-F759 HydrophobicContact CB-CE2 3.86Å; V756-F759 HydrophobicContact CB-CZ 3.49Å; V756-F759 VanDerWaalsContact CB-CZ 3.49Å; V756-F759 HydrophobicContact CG1-CD1 3.99Å; V756-F759 HydrophobicContact CG1-CD2 3.93Å; V756-F759 HydrophobicContact CG1-CE1 3.67Å; V756-F759 HydrophobicContact CG1-CE2 3.58Å; V756-F759 HydrophobicContact CG1-CG 4.13Å; V756-F759 HydrophobicContact CG1-CZ 3.46Å; V756-F759 VanDerWaalsContact CG1-CZ 3.46Å; V756-F759 HydrophobicContact CG2-CZ 4.36Å
757K85.7Confident84.5Confident43 Ų4337.6 Ų37.619%0.18720%0.195CC..EExtended strand (participates in β ladder)trans-102.1-24.1-176.6-61.4-170.9-179.8175.80113.1V668 S670 I671 W690 H734 L735V668-K757 HydrophobicContact CG1-CG 3.91Å; S670-K757 CarbonylContact C-O 3.59Å; S670-K757 WeakPolarHBondContact CA-O 3.4Å; I671-K757 PolarHBondContact N-O 3.18Å; W690-K757 HydrophobicContact CH2-CB 3.32Å; W690-K757 HydrophobicContact CH2-CD 3.76Å; W690-K757 HydrophobicContact CH2-CG 4.16Å; W690-K757 HydrophobicContact CZ2-CB 3.3Å; W690-K757 HydrophobicContact CZ2-CD 3.1Å; W690-K757 HydrophobicContact CZ2-CG 3.83Å; H734-K757 HydrophobicContact CB-CD 4.29Å; H734-K757 PolarHBondContact CD2-NZ 3.33Å; H734-K757 PolarHBondContact CE1-NZ 2.89Å; H734-K757 PolarHBondContact ND1-NZ 3.27Å; H734-K757 PolarHBondContact NE2-NZ 2.84Å; L735-K757 PolarHBondContact O-N 3.18Å
758V88.5Confident84.9Confident0 Ų037.3 Ų37.30%018%0.183CC..EExtended strand (participates in β ladder)trans-130.7130.7175.4175.90000109.8I671 A680 A684 W690 L735 C736 L737 V756 A760I671-V758 HydrophobicContact CB-CG2 4.43Å; I671-V758 CarbonylContact O-C 3.47Å; I671-V758 WeakPolarHBondContact O-CA 3.42Å; A680-V758 HydrophobicContact CB-CG1 3.65Å; A684-V758 HydrophobicContact CB-CG2 3.73Å; W690-V758 HydrophobicContact CH2-CG2 3.75Å; W690-V758 HydrophobicContact CZ3-CG2 4.25Å; L735-V758 PolarHBondContact O-N 3.03Å; C736-V758 CarbonylContact C-O 3.21Å; C736-V758 VanDerWaalsContact CA-O 3.24Å; C736-V758 WeakPolarHBondContact CA-O 3.48Å; C736-V758 HydrophobicContact CB-CB 4.21Å; C736-V758 HydrophobicContact CB-CG1 4.49Å; L737-V758 PolarHBondContact N-O 2.84Å; V756-V758 VanDerWaalsContact CG1-O 3.29Å; V756-V758 WeakPolarHBondContact CG1-O 3.21Å; V758-A760 HydrophobicContact CG1-CB 4.49Å
759F90.6Very high85.3Confident1 Ų138.9 Ų38.90%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-117.5118.5169.5-61.6-95.3000107.1I671 I672 T673 L737 V753 V756 M762 I770I671-F759 PolarHBondContact O-N 3.2Å; I672-F759 HydrophobicContact CB-CB 4.43Å; I672-F759 HydrophobicContact CG1-CB 4.3Å; I672-F759 HydrophobicContact CG1-CD2 3.85Å; I672-F759 HydrophobicContact CG1-CG 4.39Å; I672-F759 HydrophobicContact CG2-CB 4.18Å; T673-F759 PolarHBondContact N-O 3.26Å; L737-F759 HydrophobicContact CB-CD1 4.03Å; L737-F759 HydrophobicContact CB-CE1 4.43Å; L737-F759 HydrophobicContact CD1-CD1 4.27Å; L737-F759 HydrophobicContact CD1-CE1 3.85Å; L737-F759 WeakPolarHBondContact O-CA 3.49Å; V753-F759 HydrophobicContact CG1-CZ 4.23Å; V753-F759 HydrophobicContact CG2-CE1 4.35Å; V753-F759 HydrophobicContact CG2-CZ 4.5Å; V756-F759 HydrophobicContact CB-CE1 4.02Å; V756-F759 HydrophobicContact CB-CE2 3.86Å; V756-F759 HydrophobicContact CB-CZ 3.49Å; V756-F759 VanDerWaalsContact CB-CZ 3.49Å; V756-F759 HydrophobicContact CG1-CD1 3.99Å; V756-F759 HydrophobicContact CG1-CD2 3.93Å; V756-F759 HydrophobicContact CG1-CE1 3.67Å; V756-F759 HydrophobicContact CG1-CE2 3.58Å; V756-F759 HydrophobicContact CG1-CG 4.13Å; V756-F759 HydrophobicContact CG1-CZ 3.46Å; V756-F759 VanDerWaalsContact CG1-CZ 3.46Å; V756-F759 HydrophobicContact CG2-CZ 4.36Å; F759-M762 HydrophobicContact CB-CG 3.66Å; F759-M762 HydrophobicContact CB-SD 3.8Å; F759-I770 HydrophobicContact CB-CD1 3.9Å; F759-I770 HydrophobicContact CD1-CD1 3.38Å; F759-I770 HydrophobicContact CD1-CG1 4.04Å; F759-I770 HydrophobicContact CD2-CD1 4.24Å; F759-I770 HydrophobicContact CE1-CD1 3.82Å; F759-I770 HydrophobicContact CE1-CG1 3.97Å; F759-I770 HydrophobicContact CE1-CG2 4.2Å; F759-I770 HydrophobicContact CE2-CG2 4.11Å; F759-I770 HydrophobicContact CG-CD1 3.6Å; F759-I770 HydrophobicContact CZ-CD1 4.42Å; F759-I770 HydrophobicContact CZ-CG1 4.49Å; F759-I770 HydrophobicContact CZ-CG2 3.88Å
760A86.9Confident85.7Confident0 Ų038.9 Ų38.90%019%0.192CC..EExtended strand (participates in β ladder)trans-119.7159.8-173.900000111.2T673 P677 A680 L737 T738 G739 V758 M762T673-A760 CarbonylContact O-C 3.5Å; T673-A760 WeakPolarHBondContact O-CA 3.37Å; P677-A760 VanDerWaalsContact CA-CB 3.47Å; P677-A760 HydrophobicContact CB-CB 3.83Å; A680-A760 HydrophobicContact CB-CB 4.33Å; L737-A760 PolarHBondContact O-N 3.49Å; T738-A760 CarbonylContact C-O 3.48Å; T738-A760 VanDerWaalsContact CA-O 3.3Å; T738-A760 WeakPolarHBondContact CA-O 3.44Å; G739-A760 PolarHBondContact N-O 3.24Å; V758-A760 HydrophobicContact CG1-CB 4.49Å; A760-M762 PolarHBondContact O-N 3.48Å
761R85.3Confident86.1Confident111 Ų11136.4 Ų36.442%0.41918%0.179SC..SBendtrans50.136.1-173.4-65.3-177171.5179.8-2.4113.1E587 T673 G674 D675 G739E587-R761 IonicContact OE1-NH2 2.82Å; T673-R761 PolarHBondContact O-N 3.14Å; G674-R761 WeakPolarHBondContact O-CA 3.46Å; D675-R761 PolarHBondContact O-N 3.07Å; G739-R761 WeakPolarHBondContact CA-O 2.96Å
762M87.3Confident86.4Confident6 Ų632.6 Ų32.63%0.0316%0.162CC..  trans-84.4124.9-177.5-56.8-55.6-54.900111.2I672 T673 M742 F759 A760 Q766 K767 I770I672-M762 HydrophobicContact CG2-CB 4.29Å; I672-M762 HydrophobicContact CG2-CG 4.06Å; T673-M762 PolarHBondContact O-N 3.17Å; M742-M762 HydrophobicContact CG-CE 3.55Å; M742-M762 HydrophobicContact CG-SD 4.45Å; M742-M762 HydrophobicContact SD-CE 4.07Å; F759-M762 HydrophobicContact CB-CG 3.66Å; F759-M762 HydrophobicContact CB-SD 3.8Å; A760-M762 PolarHBondContact O-N 3.48Å; M762-Q766 HydrophobicContact CE-CB 3.4Å; M762-Q766 VanDerWaalsContact CE-CB 3.4Å; M762-Q766 HydrophobicContact CE-CG 4.44Å; M762-K767 HydrophobicContact CB-CG 4.04Å; M762-I770 HydrophobicContact CE-CD1 3.36Å; M762-I770 HydrophobicContact CE-CG1 4.23Å; M762-I770 HydrophobicContact CG-CD1 4.49Å; M762-I770 HydrophobicContact SD-CD1 4.27Å
763A83.5Confident86.6Confident46 Ų4632.9 Ų32.938%0.3816%0.164SC..  trans-71.7154.7167.500000110.9K765 Q766 K767A763-K765 VanDerWaalsContact C-N 3.31Å; A763-K765 PolarHBondContact O-N 3.2Å; A763-Q766 HydrophobicContact CB-CG 4.1Å; A763-Q766 WeakPolarHBondContact O-CA 3.29Å; A763-Q766 WeakPolarHBondContact O-CB 3.42Å; A763-Q766 PolarHBondContact O-N 3.38Å; A763-K767 PolarHBondContact O-N 2.87Å
764P80.4Confident86.7Confident66 Ų6633 Ų3343%0.42916%0.164SC..Hα-helixtrans-49.8-45179-31.737.2000114.5Q766 K767 E768 N789P764-Q766 VanDerWaalsContact C-N 3.28Å; P764-Q766 PolarHBondContact O-N 3.01Å; P764-K767 WeakPolarHBondContact O-CB 3.49Å; P764-K767 PolarHBondContact O-N 2.88Å; P764-E768 PolarHBondContact O-N 3.37Å; P764-N789 WeakPolarHBondContact CB-O 3.38Å; P764-N789 HydrophobicContact CG-CB 4.46Å
765K80.7Confident86.7Confident125 Ų12535.1 Ų35.154%0.54317%0.172SC..Hα-helixtrans-62.8-32.6175.9-68.7-167.8178.7-169.60113E5 A763 E768 L769E5-K765 IonicContact OE1-NZ 2.69Å; E5-K765 PolarHBondContact OE1-NZ 3.39Å; A763-K765 VanDerWaalsContact C-N 3.31Å; A763-K765 PolarHBondContact O-N 3.2Å; K765-E768 WeakPolarHBondContact O-CB 3.43Å; K765-E768 PolarHBondContact O-N 3.44Å; K765-L769 PolarHBondContact O-N 3.42Å
766Q87.3Confident86.7Confident32 Ų3238.5 Ų38.515%0.1518%0.18CC..Hα-helixtrans-76.5-31.3178.6-57.6175.5-37.500111.4G739 M762 A763 P764 E768 L769 I770G739-Q766 VanDerWaalsContact CA-OE1 3.27Å; G739-Q766 PolarHBondContact O-NE2 3.27Å; M762-Q766 HydrophobicContact CE-CB 3.4Å; M762-Q766 VanDerWaalsContact CE-CB 3.4Å; M762-Q766 HydrophobicContact CE-CG 4.44Å; A763-Q766 HydrophobicContact CB-CG 4.1Å; A763-Q766 WeakPolarHBondContact O-CA 3.29Å; A763-Q766 WeakPolarHBondContact O-CB 3.42Å; A763-Q766 PolarHBondContact O-N 3.38Å; P764-Q766 VanDerWaalsContact C-N 3.28Å; P764-Q766 PolarHBondContact O-N 3.01Å; Q766-E768 VanDerWaalsContact C-N 3.3Å; Q766-E768 PolarHBondContact O-N 3.46Å; Q766-L769 PolarHBondContact O-N 3.15Å; Q766-I770 WeakPolarHBondContact O-CG1 3.42Å; Q766-I770 PolarHBondContact O-N 2.79Å
767K89.4Confident86.7Confident7 Ų742.3 Ų42.33%0.0320%0.198CC..Hα-helixtrans-58.6-45.4170-55.8-163.1-179.6-172.40110.6D467 I672 M762 A763 P764 I770 I771 D790 A793D467-K767 VanDerWaalsContact CG-NZ 3.34Å; D467-K767 IonicContact OD1-NZ 2.68Å; D467-K767 PolarHBondContact OD1-NZ 3.48Å; D467-K767 IonicContact OD2-NZ 2.57Å; I672-K767 HydrophobicContact CG2-CB 4.05Å; I672-K767 HydrophobicContact CG2-CD 3.96Å; I672-K767 HydrophobicContact CG2-CG 3.64Å; M762-K767 HydrophobicContact CB-CG 4.04Å; A763-K767 PolarHBondContact O-N 2.87Å; P764-K767 WeakPolarHBondContact O-CB 3.49Å; P764-K767 PolarHBondContact O-N 2.88Å; K767-I770 PolarHBondContact O-N 3.06Å; K767-I771 WeakPolarHBondContact O-CG1 3.48Å; K767-I771 PolarHBondContact O-N 3.17Å; K767-D790 WeakPolarHBondContact CD-OD1 3.47Å; K767-D790 WeakPolarHBondContact CE-OD1 3.27Å; K767-D790 IonicContact NZ-OD1 3.64Å; K767-D790 PolarHBondContact NZ-OD1 3.47Å; K767-D790 IonicContact NZ-OD2 3.92Å; K767-A793 HydrophobicContact CB-CB 4.02Å
768E86.8Confident86.6Confident61 Ų6143.2 Ų43.229%0.28522%0.22SC..Hα-helixtrans-59.7-47.4173.9-179-173.9150.400112.1P764 K765 Q766 I770 I771 V772 H796P764-E768 PolarHBondContact O-N 3.37Å; K765-E768 WeakPolarHBondContact O-CB 3.43Å; K765-E768 PolarHBondContact O-N 3.44Å; Q766-E768 VanDerWaalsContact C-N 3.3Å; Q766-E768 PolarHBondContact O-N 3.46Å; E768-I770 VanDerWaalsContact C-N 3.31Å; E768-I770 PolarHBondContact O-N 3.33Å; E768-I771 PolarHBondContact O-N 2.87Å; E768-I771 VanDerWaalsContact O-N 3.14Å; E768-V772 HydrophobicContact CG-CG2 4.35Å; E768-V772 WeakPolarHBondContact O-CG2 3.44Å; E768-V772 PolarHBondContact O-N 3.49Å; E768-H796 VanDerWaalsContact CD-CD2 3.48Å; E768-H796 IonicContact OE1-CD2 3.78Å; E768-H796 PolarHBondContact OE1-CD2 3.06Å; E768-H796 IonicContact OE1-NE2 2.67Å; E768-H796 PolarHBondContact OE1-NE2 3.22Å
769L87.5Confident86.5Confident54 Ų5444.7 Ų44.728%0.28323%0.228SC..Hα-helixtrans-57.3-42.1179.9-177.961.8000112.4M742 K765 Q766 I771 V772 M773M742-L769 HydrophobicContact CE-CB 4.47Å; M742-L769 HydrophobicContact CE-CD2 3.84Å; M742-L769 HydrophobicContact CE-CG 4.1Å; K765-L769 PolarHBondContact O-N 3.42Å; Q766-L769 PolarHBondContact O-N 3.15Å; L769-I771 PolarHBondContact O-N 2.96Å; L769-V772 PolarHBondContact O-N 3.01Å; L769-M773 HydrophobicContact CD1-CE 4.06Å; L769-M773 HydrophobicContact CD1-CG 4.39Å; L769-M773 HydrophobicContact CD2-CE 4.13Å; L769-M773 HydrophobicContact CG-CE 3.98Å; L769-M773 HydrophobicContact CG-CG 4.49Å; L769-M773 HydrophobicContact CG-SD 4.27Å; L769-M773 WeakPolarHBondContact O-CB 3.47Å; L769-M773 VanDerWaalsContact O-CG 3.3Å; L769-M773 WeakPolarHBondContact O-CG 3.37Å; L769-M773 PolarHBondContact O-N 3.32Å
770I90.4Very high86.4Confident0 Ų045.8 Ų45.80%024%0.235CC..Hα-helixtrans-58.7-48.5176.6-68.1162000110.6I672 M742 V753 F759 M762 Q766 K767 E768 V772 M773 L774I672-I770 HydrophobicContact CD1-CB 4.44Å; I672-I770 HydrophobicContact CD1-CD1 4.36Å; I672-I770 HydrophobicContact CD1-CG2 3.95Å; I672-I770 HydrophobicContact CG2-CD1 4.03Å; M742-I770 HydrophobicContact CE-CG1 3.66Å; M742-I770 HydrophobicContact SD-CG1 4.22Å; V753-I770 HydrophobicContact CG1-CG2 4.15Å; F759-I770 HydrophobicContact CB-CD1 3.9Å; F759-I770 HydrophobicContact CD1-CD1 3.38Å; F759-I770 HydrophobicContact CD1-CG1 4.04Å; F759-I770 HydrophobicContact CD2-CD1 4.24Å; F759-I770 HydrophobicContact CE1-CD1 3.82Å; F759-I770 HydrophobicContact CE1-CG1 3.97Å; F759-I770 HydrophobicContact CE1-CG2 4.2Å; F759-I770 HydrophobicContact CE2-CG2 4.11Å; F759-I770 HydrophobicContact CG-CD1 3.6Å; F759-I770 HydrophobicContact CZ-CD1 4.42Å; F759-I770 HydrophobicContact CZ-CG1 4.49Å; F759-I770 HydrophobicContact CZ-CG2 3.88Å; M762-I770 HydrophobicContact CE-CD1 3.36Å; M762-I770 HydrophobicContact CE-CG1 4.23Å; M762-I770 HydrophobicContact CG-CD1 4.49Å; M762-I770 HydrophobicContact SD-CD1 4.27Å; Q766-I770 WeakPolarHBondContact O-CG1 3.42Å; Q766-I770 PolarHBondContact O-N 2.79Å; K767-I770 PolarHBondContact O-N 3.06Å; E768-I770 VanDerWaalsContact C-N 3.31Å; E768-I770 PolarHBondContact O-N 3.33Å; I770-V772 VanDerWaalsContact C-N 3.33Å; I770-V772 PolarHBondContact O-N 3.41Å; I770-M773 PolarHBondContact O-N 2.85Å; I770-L774 HydrophobicContact CG2-CD1 4.12Å; I770-L774 WeakPolarHBondContact O-CG 3.43Å; I770-L774 PolarHBondContact O-N 3.35Å
771I90.7Very high86.7Confident0 Ų045.8 Ų45.80%024%0.235CC..Hα-helixtrans-62.3-42.5179.6-63.8-59.1000111C465 I672 K767 E768 L769 M773 L774 K775 M783 A793 H796 A797C465-I771 HydrophobicContact CB-CD1 4.2Å; I672-I771 HydrophobicContact CD1-CD1 4.33Å; K767-I771 WeakPolarHBondContact O-CG1 3.48Å; K767-I771 PolarHBondContact O-N 3.17Å; E768-I771 PolarHBondContact O-N 2.87Å; E768-I771 VanDerWaalsContact O-N 3.14Å; L769-I771 PolarHBondContact O-N 2.96Å; I771-M773 PolarHBondContact O-N 2.83Å; I771-L774 PolarHBondContact O-N 3.22Å; I771-K775 WeakPolarHBondContact O-CB 3.36Å; I771-K775 PolarHBondContact O-N 2.84Å; I771-M783 HydrophobicContact CD1-CB 4.22Å; I771-M783 HydrophobicContact CD1-SD 4.48Å; I771-A793 HydrophobicContact CG1-CB 4.01Å; I771-H796 HydrophobicContact CG2-CB 4.32Å; I771-A797 HydrophobicContact CG2-CB 3.78Å; I771-A797 VanDerWaalsContact CG2-N 3.3Å
772V86.7Confident87.1Confident16 Ų1640.5 Ų40.510%0.09722%0.215CC..Hα-helixtrans-64.4-39176.4172.80000111.6E768 L769 I770 K775 R776 H796E768-V772 HydrophobicContact CG-CG2 4.35Å; E768-V772 WeakPolarHBondContact O-CG2 3.44Å; E768-V772 PolarHBondContact O-N 3.49Å; L769-V772 PolarHBondContact O-N 3.01Å; I770-V772 VanDerWaalsContact C-N 3.33Å; I770-V772 PolarHBondContact O-N 3.41Å; V772-K775 PolarHBondContact O-N 3.31Å; V772-R776 WeakPolarHBondContact O-CB 3.39Å; V772-R776 WeakPolarHBondContact O-CG 3.43Å; V772-R776 PolarHBondContact O-N 3.09Å; V772-H796 HydrophobicContact CG2-CB 4.22Å
773M88Confident87.3Confident7 Ų740.2 Ų40.23%0.03421%0.213CC..Hα-helixtrans-63.4-47.2176.2-77179.9167.900111.9M742 M746 L749 L750 V753 L769 I770 I771 K775 R776 Q777M742-M773 HydrophobicContact CE-SD 4.25Å; M746-M773 HydrophobicContact CE-CE 4.21Å; L749-M773 HydrophobicContact CB-CE 4.39Å; L750-M773 HydrophobicContact CD2-CB 4.05Å; L750-M773 HydrophobicContact CD2-CG 3.96Å; V753-M773 HydrophobicContact CG1-CB 4.37Å; V753-M773 HydrophobicContact CG2-SD 4.18Å; L769-M773 HydrophobicContact CD1-CE 4.06Å; L769-M773 HydrophobicContact CD1-CG 4.39Å; L769-M773 HydrophobicContact CD2-CE 4.13Å; L769-M773 HydrophobicContact CG-CE 3.98Å; L769-M773 HydrophobicContact CG-CG 4.49Å; L769-M773 HydrophobicContact CG-SD 4.27Å; L769-M773 WeakPolarHBondContact O-CB 3.47Å; L769-M773 VanDerWaalsContact O-CG 3.3Å; L769-M773 WeakPolarHBondContact O-CG 3.37Å; L769-M773 PolarHBondContact O-N 3.32Å; I770-M773 PolarHBondContact O-N 2.85Å; I771-M773 PolarHBondContact O-N 2.83Å; M773-K775 VanDerWaalsContact C-N 3.33Å; M773-K775 PolarHBondContact O-N 3.3Å; M773-R776 PolarHBondContact O-N 2.82Å; M773-Q777 PolarHBondContact O-N 3.33Å
774L89.9Confident87.8Confident3 Ų338 Ų382%0.01620%0.195CC..Hα-helixtrans-58.7-45.5175.4-71.7170.6000111.5I463 V753 P754 I770 I771 R776 Q777 I779 T781I463-L774 HydrophobicContact CD1-CD2 4.08Å; V753-L774 HydrophobicContact CG1-CD1 4.48Å; V753-L774 HydrophobicContact CG1-CD2 3.62Å; V753-L774 HydrophobicContact CG1-CG 3.68Å; P754-L774 HydrophobicContact CB-CD2 4.35Å; P754-L774 HydrophobicContact CG-CD2 4.16Å; I770-L774 HydrophobicContact CG2-CD1 4.12Å; I770-L774 WeakPolarHBondContact O-CG 3.43Å; I770-L774 PolarHBondContact O-N 3.35Å; I771-L774 PolarHBondContact O-N 3.22Å; L774-R776 VanDerWaalsContact C-N 3.35Å; L774-R776 PolarHBondContact O-N 2.94Å; L774-Q777 PolarHBondContact O-N 3.35Å; L774-Q777 VanDerWaalsContact O-N 3.13Å; L774-I779 HydrophobicContact CD2-CD1 4.13Å; L774-I779 WeakPolarHBondContact O-CB 3.46Å; L774-I779 PolarHBondContact O-N 3.22Å; L774-T781 HydrophobicContact CB-CG2 3.46Å; L774-T781 VanDerWaalsContact CB-CG2 3.46Å; L774-T781 HydrophobicContact CD1-CG2 3.72Å; L774-T781 HydrophobicContact CG-CG2 4.19Å
775K86.1Confident88.2Confident60 Ų6034.9 Ų34.926%0.26118%0.175SC..Hα-helixtrans-63.8-37.6178.5-175169.4-178.6138.60112.9I771 V772 M773 Q777 G778 H796 D798I771-K775 WeakPolarHBondContact O-CB 3.36Å; I771-K775 PolarHBondContact O-N 2.84Å; V772-K775 PolarHBondContact O-N 3.31Å; M773-K775 VanDerWaalsContact C-N 3.33Å; M773-K775 PolarHBondContact O-N 3.3Å; K775-Q777 PolarHBondContact O-N 2.77Å; K775-G778 PolarHBondContact O-N 2.75Å; K775-H796 PolarHBondContact NZ-O 3.25Å; K775-D798 WeakPolarHBondContact CE-OD1 3.5Å; K775-D798 IonicContact NZ-OD1 2.7Å; K775-D798 PolarHBondContact NZ-OD1 2.82Å
776R83Confident88.1Confident170 Ų17030.3 Ų30.364%0.64216%0.156SC*.Hα-helixtrans-61.7-26.6175.4-81.1-179.2179.4-167.72.1112.8V772 M773 L774 G778V772-R776 WeakPolarHBondContact O-CB 3.39Å; V772-R776 WeakPolarHBondContact O-CG 3.43Å; V772-R776 PolarHBondContact O-N 3.09Å; M773-R776 PolarHBondContact O-N 2.82Å; L774-R776 VanDerWaalsContact C-N 3.35Å; L774-R776 PolarHBondContact O-N 2.94Å; R776-G778 PolarHBondContact O-N 3.14Å
777Q85.2Confident87.4Confident80 Ų8028.9 Ų28.937%0.37415%0.15SC..THydrogen-bonded Turntrans-84.64.1175-66.3-180-50.700113.6L750 M773 L774 K775 I779L750-Q777 PolarHBondContact O-NE2 2.94Å; L750-Q777 PolarHBondContact O-OE1 3.11Å; M773-Q777 PolarHBondContact O-N 3.33Å; L774-Q777 PolarHBondContact O-N 3.35Å; L774-Q777 VanDerWaalsContact O-N 3.13Å; K775-Q777 PolarHBondContact O-N 2.77Å; Q777-I779 VanDerWaalsContact C-N 3.28Å; Q777-I779 HydrophobicContact CB-CD1 4.29Å; Q777-I779 HydrophobicContact CB-CG1 4.29Å; Q777-I779 PolarHBondContact O-N 2.94Å
778G83.5Confident86.2Confident63 Ų6329.9 Ų29.965%0.64916%0.157SC*.THydrogen-bonded Turntrans77.213.1-179.200000113.9K775 R776K775-G778 PolarHBondContact O-N 2.75Å; R776-G778 PolarHBondContact O-N 3.14Å
779I87.5Confident85.6Confident31 Ų3129.8 Ų29.816%0.15916%0.158CC..  trans-83.2126.9176.2-58.9173.6000108.6D462 I463 P754 L774 Q777 T781D462-I779 HydrophobicContact CB-CG2 3.67Å; I463-I779 HydrophobicContact CB-CG2 4.32Å; I463-I779 HydrophobicContact CD1-CD1 4.3Å; I463-I779 HydrophobicContact CD1-CG2 3.75Å; I463-I779 HydrophobicContact CG1-CG2 3.81Å; P754-I779 HydrophobicContact CB-CD1 3.74Å; P754-I779 HydrophobicContact CG-CD1 3.68Å; L774-I779 HydrophobicContact CD2-CD1 4.13Å; L774-I779 WeakPolarHBondContact O-CB 3.46Å; L774-I779 PolarHBondContact O-N 3.22Å; Q777-I779 VanDerWaalsContact C-N 3.28Å; Q777-I779 HydrophobicContact CB-CD1 4.29Å; Q777-I779 HydrophobicContact CB-CG1 4.29Å; Q777-I779 PolarHBondContact O-N 2.94Å; I779-T781 HydrophobicContact CG2-CG2 4.47Å; I779-T781 PolarHBondContact O-N 3.3Å
780V88.9Confident85.2Confident24 Ų2427.3 Ų27.315%0.14515%0.145CC..  trans-80.9117.2176.8-176.10000109.4K460 V461 D462 I463 D798K460-V780 HydrophobicContact CB-CB 4.48Å; K460-V780 HydrophobicContact CB-CG1 4.27Å; K460-V780 HydrophobicContact CB-CG2 4.09Å; K460-V780 WeakPolarHBondContact O-CB 3.49Å; V461-V780 HydrophobicContact CG2-CG1 4.25Å; D462-V780 PolarHBondContact N-O 3.39Å; D462-V780 PolarHBondContact OD2-N 3.08Å; D462-V780 VanDerWaalsContact OD2-N 3.11Å; I463-V780 PolarHBondContact N-O 3.17Å; V780-D798 WeakPolarHBondContact CA-OD2 3.4Å; V780-D798 HydrophobicContact CG1-CB 3.82Å
781T91.7Very high84.5Confident0 Ų028.1 Ų28.10%015%0.15CC..EExtended strand (participates in β ladder)trans-104.4139.8-174.3570000112.9L774 I779 D798 V799L774-T781 HydrophobicContact CB-CG2 3.46Å; L774-T781 VanDerWaalsContact CB-CG2 3.46Å; L774-T781 HydrophobicContact CD1-CG2 3.72Å; L774-T781 HydrophobicContact CG-CG2 4.19Å; I779-T781 HydrophobicContact CG2-CG2 4.47Å; I779-T781 PolarHBondContact O-N 3.3Å; T781-D798 PolarHBondContact N-OD2 2.85Å; T781-D798 PolarHBondContact O-N 3.31Å; T781-D798 VanDerWaalsContact O-N 3.15Å; T781-D798 PolarHBondContact OG1-OD2 2.94Å; T781-V799 PolarHBondContact O-N 3.26Å; T781-V799 VanDerWaalsContact O-N 3.11Å
782L93.7Very high83.9Confident0 Ų029.1 Ų29.10%016%0.16CC..EExtended strand (participates in β ladder)trans-110.1126.6164.2-177.2151.7000108.8V461 I463 C464 C465 C784 V799 I897 I901V461-L782 HydrophobicContact CB-CB 4.48Å; V461-L782 HydrophobicContact CG1-CB 3.61Å; V461-L782 HydrophobicContact CG2-CB 3.97Å; V461-L782 HydrophobicContact CG2-CD1 4.29Å; I463-L782 PolarHBondContact O-N 2.97Å; C464-L782 CarbonylContact C-O 3.55Å; C464-L782 WeakPolarHBondContact CA-O 3.48Å; C464-L782 HydrophobicContact CB-CD2 4.43Å; C465-L782 PolarHBondContact N-O 3.11Å; L782-C784 HydrophobicContact CD2-CB 4.36Å; L782-V799 CarbonylContact C-O 3.55Å; L782-V799 WeakPolarHBondContact CA-O 3.4Å; L782-V799 HydrophobicContact CB-CB 4.23Å; L782-V799 HydrophobicContact CD1-CB 4.21Å; L782-V799 HydrophobicContact CD1-CG1 3.72Å; L782-V799 HydrophobicContact CG-CB 4.13Å; L782-V799 HydrophobicContact CG-CG1 3.98Å; L782-I897 HydrophobicContact CD1-CG2 3.81Å; L782-I897 HydrophobicContact CD2-CD1 4.27Å; L782-I897 HydrophobicContact CD2-CG1 4.36Å; L782-I897 HydrophobicContact CD2-CG2 3.93Å; L782-I901 HydrophobicContact CD1-CD1 4.25Å; L782-I901 HydrophobicContact CD1-CG1 4.1Å
783M93.4Very high83.9Confident0 Ų028.4 Ų28.40%016%0.156CC..EExtended strand (participates in β ladder)trans-112132171.7179.763-173.300108.8C465 D467 I672 I771 D790 A793 L794 A797 V799 G800 V801C465-M783 HydrophobicContact CB-SD 3.55Å; C465-M783 VanDerWaalsContact CB-SD 3.55Å; C465-M783 CarbonylContact O-C 3.56Å; C465-M783 WeakPolarHBondContact O-CA 3.45Å; D467-M783 HydrophobicContact CB-CE 4.15Å; I672-M783 HydrophobicContact CD1-SD 4.41Å; I771-M783 HydrophobicContact CD1-CB 4.22Å; I771-M783 HydrophobicContact CD1-SD 4.48Å; M783-D790 HydrophobicContact CE-CB 4.07Å; M783-A793 HydrophobicContact CG-CB 4.19Å; M783-L794 HydrophobicContact CB-CD2 4.12Å; M783-L794 HydrophobicContact CG-CD2 3.8Å; M783-L794 HydrophobicContact CG-CG 4.28Å; M783-L794 WeakPolarHBondContact O-CD2 3.44Å; M783-A797 HydrophobicContact CB-CB 3.66Å; M783-V799 PolarHBondContact N-O 2.86Å; M783-G800 CarbonylContact O-C 3.5Å; M783-G800 WeakPolarHBondContact O-CA 3.28Å; M783-V801 PolarHBondContact O-N 3.4Å
784C92.3Very high83.9Confident0 Ų028.1 Ų28.10%016%0.155CC..EExtended strand (participates in β ladder)trans-121.4131.4171.2-172.30000110.3C465 F466 D467 L782 V801 I897C465-C784 PolarHBondContact O-N 3.04Å; F466-C784 WeakPolarHBondContact CA-O 3.43Å; F466-C784 HydrophobicContact CD1-CB 4.09Å; F466-C784 HydrophobicContact CE1-CB 4.35Å; D467-C784 PolarHBondContact N-O 2.85Å; L782-C784 HydrophobicContact CD2-CB 4.36Å; C784-V801 WeakPolarHBondContact CA-O 3.35Å; C784-V801 HydrophobicContact CB-CB 4.43Å; C784-V801 PolarHBondContact SG-O 2.96Å; C784-I897 HydrophobicContact CB-CD1 3.53Å; C784-I897 HydrophobicContact CB-CG1 4.22Å
785G88.8Confident83.5Confident0 Ų028.5 Ų28.50%016%0.156CC..EExtended strand (participates in β ladder)trans-153.3172.8-179.500000110.6T471 G787 D790 V801 A802 L803T471-G785 WeakPolarHBondContact OG1-CA 3.45Å; G785-G787 PolarHBondContact O-N 2.99Å; G785-D790 WeakPolarHBondContact CA-OD2 3.37Å; G785-V801 PolarHBondContact N-O 2.5Å; G785-V801 VanDerWaalsContact N-O 3.14Å; G785-A802 CarbonylContact O-C 3.59Å; G785-A802 VanDerWaalsContact O-CA 3.29Å; G785-A802 WeakPolarHBondContact O-CA 3.4Å; G785-L803 PolarHBondContact O-N 3.26Å
786D80.3Confident83.4Confident29 Ų2926 Ų2616%0.15515%0.145CC..  trans-73.3-12.2170.964.1-3.8000112.2T471 T788T471-D786 PolarHBondContact OG1-N 3.06Å; D786-T788 VanDerWaalsContact C-N 3.32Å; D786-T788 HydrophobicContact CB-CG2 4.05Å; D786-T788 WeakPolarHBondContact OD1-CB 3.46Å; D786-T788 PolarHBondContact OD1-N 3.41Å; D786-T788 PolarHBondContact OD1-OG1 3.41Å; D786-T788 WeakPolarHBondContact OD2-CB 3.27Å; D786-T788 WeakPolarHBondContact OD2-CG2 3.13Å; D786-T788 PolarHBondContact OD2-OG1 2.85Å
787G70.9Confident83.7Confident1 Ų117.9 Ų17.91%0.0112%0.115CC..SBendtrans81.610.7-179.700000113.7G785 V791 A881G785-G787 PolarHBondContact O-N 2.99Å; G787-V791 WeakPolarHBondContact O-CG2 3.48Å; G787-A881 WeakPolarHBondContact O-CB 3.17Å
788T65.9Low83.9Confident29 Ų2914.8 Ų14.818%0.17810%0.101CC..SBendtrans-90.7-50.9-174.674.70000110.3G302 D786G302-T788 VanDerWaalsContact CA-C 3.44Å; G302-T788 WeakPolarHBondContact CA-O 3.33Å; G302-T788 WeakPolarHBondContact O-CB 3.31Å; G302-T788 PolarHBondContact O-OG1 2.95Å; D786-T788 VanDerWaalsContact C-N 3.32Å; D786-T788 HydrophobicContact CB-CG2 4.05Å; D786-T788 WeakPolarHBondContact OD1-CB 3.46Å; D786-T788 PolarHBondContact OD1-N 3.41Å; D786-T788 PolarHBondContact OD1-OG1 3.41Å; D786-T788 WeakPolarHBondContact OD2-CB 3.27Å; D786-T788 WeakPolarHBondContact OD2-CG2 3.13Å; D786-T788 PolarHBondContact OD2-OG1 2.85Å
789N73.1Confident84.2Confident59 Ų5911.8 Ų11.832%0.3167%0.07SC..SBendtrans-105.5-9.5175.7-79.1-66.6000113.6T301 P764T301-N789 PolarHBondContact O-ND2 2.94Å; T301-N789 PolarHBondContact O-OD1 3.3Å; P764-N789 WeakPolarHBondContact CB-O 3.38Å; P764-N789 HydrophobicContact CG-CB 4.46Å
790D79.2Confident84.4Confident1 Ų110.3 Ų10.31%0.0056%0.062CC..  trans-103.95.6-169.9-59-46.9000113.8D467 K767 M783 G785 G792 A793 L794D467-D790 WeakPolarHBondContact CB-OD2 3.37Å; K767-D790 WeakPolarHBondContact CD-OD1 3.47Å; K767-D790 WeakPolarHBondContact CE-OD1 3.27Å; K767-D790 IonicContact NZ-OD1 3.64Å; K767-D790 PolarHBondContact NZ-OD1 3.47Å; K767-D790 IonicContact NZ-OD2 3.92Å; M783-D790 HydrophobicContact CE-CB 4.07Å; G785-D790 WeakPolarHBondContact CA-OD2 3.37Å; D790-G792 VanDerWaalsContact C-N 3.35Å; D790-G792 PolarHBondContact O-N 3.27Å; D790-A793 CarbonylContact O-C 3.58Å; D790-A793 WeakPolarHBondContact O-CA 3.08Å; D790-A793 WeakPolarHBondContact O-CB 3.28Å; D790-A793 PolarHBondContact O-N 3.39Å; D790-L794 HydrophobicContact CB-CD1 3.92Å; D790-L794 HydrophobicContact CB-CG 3.93Å; D790-L794 WeakPolarHBondContact O-CB 3.34Å; D790-L794 VanDerWaalsContact O-CG 3.29Å; D790-L794 WeakPolarHBondContact O-CG 3.17Å; D790-L794 PolarHBondContact O-N 3.18Å
791V76.1Confident84.6Confident18 Ų189.1 Ų9.111%0.1096%0.055CC..Hα-helixtrans-52.9-49.4-170.7-1790000112.9L362 G787 L794 K795 A881 A884L362-V791 HydrophobicContact CD1-CB 4.21Å; L362-V791 HydrophobicContact CD1-CG1 3.56Å; L362-V791 HydrophobicContact CD1-CG2 4.31Å; G787-V791 WeakPolarHBondContact O-CG2 3.48Å; V791-L794 PolarHBondContact O-N 3.14Å; V791-K795 WeakPolarHBondContact O-CB 3.48Å; V791-K795 PolarHBondContact O-N 2.98Å; V791-A881 HydrophobicContact CG2-CB 3.74Å; V791-A884 HydrophobicContact CG1-CB 3.31Å
792G77.5Confident84.4Confident21 Ų219.1 Ų9.122%0.2166%0.055CC..Hα-helixtrans-60.6-46.8177.800000111.7D790 L794 K795 H796D790-G792 VanDerWaalsContact C-N 3.35Å; D790-G792 PolarHBondContact O-N 3.27Å; G792-L794 PolarHBondContact O-N 3.29Å; G792-K795 PolarHBondContact O-N 3.45Å; G792-H796 WeakPolarHBondContact O-CB 3.49Å; G792-H796 PolarHBondContact O-CD2 2.93Å; G792-H796 PolarHBondContact O-N 3.5Å
793A86.6Confident84Confident1 Ų19.4 Ų9.41%0.0086%0.057CC..Hα-helixtrans-62.1-44.4177.600000112.6K767 I771 M783 D790 K795 H796 A797K767-A793 HydrophobicContact CB-CB 4.02Å; I771-A793 HydrophobicContact CG1-CB 4.01Å; M783-A793 HydrophobicContact CG-CB 4.19Å; D790-A793 CarbonylContact O-C 3.58Å; D790-A793 WeakPolarHBondContact O-CA 3.08Å; D790-A793 WeakPolarHBondContact O-CB 3.28Å; D790-A793 PolarHBondContact O-N 3.39Å; A793-K795 PolarHBondContact O-N 3.26Å; A793-H796 PolarHBondContact O-N 3.33Å; A793-A797 VanDerWaalsContact O-CB 3.23Å; A793-A797 WeakPolarHBondContact O-CB 3.49Å; A793-A797 PolarHBondContact O-N 3.37Å
794L88.2Confident83.2Confident1 Ų110.5 Ų10.51%0.0056%0.062CC..Hα-helixtrans-62.8-40.6177.1-70.7169.6000111.7M783 D790 V791 G792 G800 V801 A802 A885 P886M783-L794 HydrophobicContact CB-CD2 4.12Å; M783-L794 HydrophobicContact CG-CD2 3.8Å; M783-L794 HydrophobicContact CG-CG 4.28Å; M783-L794 WeakPolarHBondContact O-CD2 3.44Å; D790-L794 HydrophobicContact CB-CD1 3.92Å; D790-L794 HydrophobicContact CB-CG 3.93Å; D790-L794 WeakPolarHBondContact O-CB 3.34Å; D790-L794 VanDerWaalsContact O-CG 3.29Å; D790-L794 WeakPolarHBondContact O-CG 3.17Å; D790-L794 PolarHBondContact O-N 3.18Å; V791-L794 PolarHBondContact O-N 3.14Å; G792-L794 PolarHBondContact O-N 3.29Å; L794-G800 VanDerWaalsContact O-CA 3.29Å; L794-G800 WeakPolarHBondContact O-CA 3.37Å; L794-V801 WeakPolarHBondContact CD2-O 3.5Å; L794-A802 HydrophobicContact CD1-CB 4.22Å; L794-A885 HydrophobicContact CB-CB 4.14Å; L794-A885 HydrophobicContact CD1-CB 4.26Å; L794-P886 WeakPolarHBondContact O-CD 3.34Å
795K81.9Confident81.9Confident11 Ų1114.9 Ų14.95%0.0489%0.093CC..Hα-helixtrans-69.9-42.6179.9-17465.1172.7-175.80111.8V370 E451 R454 V791 G792 A793 A884V370-K795 HydrophobicContact CG2-CD 3.89Å; V370-K795 HydrophobicContact CG2-CG 3.61Å; E451-K795 IonicContact OE1-NZ 3.9Å; E451-K795 PolarHBondContact OE1-NZ 3.27Å; R454-K795 PolarHBondContact NH2-O 3.27Å; V791-K795 WeakPolarHBondContact O-CB 3.48Å; V791-K795 PolarHBondContact O-N 2.98Å; G792-K795 PolarHBondContact O-N 3.45Å; A793-K795 PolarHBondContact O-N 3.26Å; K795-A884 VanDerWaalsContact CD-O 3.27Å; K795-A884 WeakPolarHBondContact CD-O 3.12Å
796H84.2Confident80.4Confident7 Ų719 Ų193%0.03211%0.112CC..Hα-helixtrans-78.9-29-177.8-77.2-64.1000114.2E768 I771 V772 K775 G792 A793E768-H796 VanDerWaalsContact CD-CD2 3.48Å; E768-H796 IonicContact OE1-CD2 3.78Å; E768-H796 PolarHBondContact OE1-CD2 3.06Å; E768-H796 IonicContact OE1-NE2 2.67Å; E768-H796 PolarHBondContact OE1-NE2 3.22Å; I771-H796 HydrophobicContact CG2-CB 4.32Å; V772-H796 HydrophobicContact CG2-CB 4.22Å; K775-H796 PolarHBondContact NZ-O 3.25Å; G792-H796 WeakPolarHBondContact O-CB 3.49Å; G792-H796 PolarHBondContact O-CD2 2.93Å; G792-H796 PolarHBondContact O-N 3.5Å; A793-H796 PolarHBondContact O-N 3.33Å
797A89.2Confident79.1Confident0 Ų022.7 Ų22.70%014%0.138CC..SBendtrans-56.5146.4172.200000109.4R454 I771 M783 A793 V799R454-A797 PolarHBondContact NH1-O 2.85Å; I771-A797 HydrophobicContact CG2-CB 3.78Å; I771-A797 VanDerWaalsContact CG2-N 3.3Å; M783-A797 HydrophobicContact CB-CB 3.66Å; A793-A797 VanDerWaalsContact O-CB 3.23Å; A793-A797 WeakPolarHBondContact O-CB 3.49Å; A793-A797 PolarHBondContact O-N 3.37Å; A797-V799 PolarHBondContact O-N 3.25Å
798D88.5Confident78.1Confident14 Ų1427.2 Ų27.28%0.07516%0.16CC..SBendtrans-63.8-34179.5-55.4-65.6000111.2R454 K775 V780 T781R454-D798 WeakPolarHBondContact CD-O 3.29Å; R454-D798 VanDerWaalsContact NH1-C 3.35Å; R454-D798 PolarHBondContact NH1-O 2.79Å; K775-D798 WeakPolarHBondContact CE-OD1 3.5Å; K775-D798 IonicContact NZ-OD1 2.7Å; K775-D798 PolarHBondContact NZ-OD1 2.82Å; V780-D798 WeakPolarHBondContact CA-OD2 3.4Å; V780-D798 HydrophobicContact CG1-CB 3.82Å; T781-D798 PolarHBondContact N-OD2 2.85Å; T781-D798 PolarHBondContact O-N 3.31Å; T781-D798 VanDerWaalsContact O-N 3.15Å; T781-D798 PolarHBondContact OG1-OD2 2.94Å
799V91.2Very high77.2Confident0 Ų029.8 Ų29.80%018%0.177CC..EExtended strand (participates in β ladder)trans-129.798174-1780000109.4F457 A458 V461 T781 L782 M783 A797 V801 F887 V900F457-V799 HydrophobicContact CB-CG2 4.16Å; A458-V799 HydrophobicContact CB-CG1 4.18Å; A458-V799 HydrophobicContact CB-CG2 3.9Å; V461-V799 HydrophobicContact CG2-CB 4.36Å; V461-V799 HydrophobicContact CG2-CG2 3.97Å; T781-V799 PolarHBondContact O-N 3.26Å; T781-V799 VanDerWaalsContact O-N 3.11Å; L782-V799 CarbonylContact C-O 3.55Å; L782-V799 WeakPolarHBondContact CA-O 3.4Å; L782-V799 HydrophobicContact CB-CB 4.23Å; L782-V799 HydrophobicContact CD1-CB 4.21Å; L782-V799 HydrophobicContact CD1-CG1 3.72Å; L782-V799 HydrophobicContact CG-CB 4.13Å; L782-V799 HydrophobicContact CG-CG1 3.98Å; M783-V799 PolarHBondContact N-O 2.86Å; A797-V799 PolarHBondContact O-N 3.25Å; V799-V801 HydrophobicContact CG1-CG2 4.26Å; V799-F887 HydrophobicContact CG1-CD2 3.82Å; V799-F887 HydrophobicContact CG1-CE2 3.77Å; V799-V900 HydrophobicContact CG1-CG1 3.84Å
800G91.7Very high75.5Confident0 Ų036.6 Ų36.60%020%0.204CC..EExtended strand (participates in β ladder)trans-94.3128.3171.600000111.6M783 L794 F887M783-G800 CarbonylContact O-C 3.5Å; M783-G800 WeakPolarHBondContact O-CA 3.28Å; L794-G800 VanDerWaalsContact O-CA 3.29Å; L794-G800 WeakPolarHBondContact O-CA 3.37Å; G800-F887 WeakPolarHBondContact O-CB 3.49Å; G800-F887 PolarHBondContact O-N 2.99Å
801V91.5Very high73.4Confident0 Ų044.6 Ų44.60%024%0.241CC..EExtended strand (participates in β ladder)trans-119.2109.6177.1-173.80000110M783 C784 G785 L794 V799 L803 F887M783-V801 PolarHBondContact O-N 3.4Å; C784-V801 WeakPolarHBondContact CA-O 3.35Å; C784-V801 HydrophobicContact CB-CB 4.43Å; C784-V801 PolarHBondContact SG-O 2.96Å; G785-V801 PolarHBondContact N-O 2.5Å; G785-V801 VanDerWaalsContact N-O 3.14Å; L794-V801 WeakPolarHBondContact CD2-O 3.5Å; V799-V801 HydrophobicContact CG1-CG2 4.26Å; V801-L803 HydrophobicContact CG1-CD2 4.37Å; V801-F887 CarbonylContact C-O 3.53Å; V801-F887 WeakPolarHBondContact CA-O 3.32Å; V801-F887 HydrophobicContact CG2-CB 4.14Å
802A88.3Confident71.2Confident0 Ų055 Ų550%028%0.278CS..EExtended strand (participates in β ladder)trans-86.5135.3170.700000111G785 L794 A885 F887 T888 S889G785-A802 CarbonylContact O-C 3.59Å; G785-A802 VanDerWaalsContact O-CA 3.29Å; G785-A802 WeakPolarHBondContact O-CA 3.4Å; L794-A802 HydrophobicContact CD1-CB 4.22Å; A802-A885 HydrophobicContact CB-CB 3.61Å; A802-F887 PolarHBondContact N-O 3.07Å; A802-T888 HydrophobicContact CB-CG2 4.38Å; A802-T888 CarbonylContact O-C 3.54Å; A802-T888 WeakPolarHBondContact O-CA 3.4Å; A802-S889 PolarHBondContact O-N 2.84Å
803L86.1Confident68.8Low6 Ų664 Ų643%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-102.4129.8176.1-58.2178.8000110.6T471 G785 V801 I894 S896T471-L803 HydrophobicContact CG2-CD1 3.94Å; G785-L803 PolarHBondContact O-N 3.26Å; V801-L803 HydrophobicContact CG1-CD2 4.37Å; L803-I894 HydrophobicContact CD1-CG2 3.82Å; L803-S896 WeakPolarHBondContact CD2-OG 2.91Å
804L76.6Confident65.9Low22 Ų2266.8 Ų66.812%0.11534%0.341CS..EExtended strand (participates in β ladder)trans-95.4148.8174.1-66.7169.3000111.2H806 V876 S882 T888 S889 Y891 S892L804-H806 PolarHBondContact O-N 2.7Å; L804-V876 HydrophobicContact CD1-CG1 4.08Å; L804-S882 WeakPolarHBondContact CD2-OG 3.38Å; L804-T888 HydrophobicContact CD1-CG2 3.67Å; L804-T888 HydrophobicContact CD2-CG2 4.49Å; L804-T888 HydrophobicContact CG-CG2 3.89Å; L804-S889 VanDerWaalsContact CB-O 3.31Å; L804-S889 WeakPolarHBondContact CB-O 3.39Å; L804-S889 WeakPolarHBondContact CG-O 3.31Å; L804-S889 PolarHBondContact N-O 3.15Å; L804-Y891 CarbonylContact O-C 3.54Å; L804-S892 VanDerWaalsContact O-CA 3.23Å; L804-S892 WeakPolarHBondContact O-CA 3.37Å; L804-S892 WeakPolarHBondContact O-CB 3.45Å; L804-S892 PolarHBondContact O-N 3.49Å
805S65.1Low63Low92 Ų9271.2 Ų71.264%0.64338%0.377SS*.EExtended strand (participates in β ladder)trans-7418.5-174.555.20000115.3
806H56.9Low60.4Low86 Ų8676.3 Ų76.340%0.39841%0.41SS..EExtended strand (participates in β ladder)trans-78.7128.2171.1-60.5-65.8000110.8L804 K890 Y891 S892L804-H806 PolarHBondContact O-N 2.7Å; H806-K890 WeakPolarHBondContact CB-O 3.2Å; H806-Y891 WeakPolarHBondContact O-CA 3.47Å; H806-S892 PolarHBondContact O-N 2.99Å; H806-S892 VanDerWaalsContact O-N 3.1Å
807P52.3Low57.6Low108 Ų10881.6 Ų81.670%0.70145%0.447SS*.PPolyproline II helixtrans-64.2142.3172.125-31.2000110.2
808M50.3Low54.5Low95 Ų9590.9 Ų90.947%0.46849%0.488SS..PPolyproline II helixtrans-55.3137.1167.2-84.4-81.4-80.700109.1K810 Y891M808-K810 PolarHBondContact O-N 3.22Å; M808-K810 VanDerWaalsContact O-N 3.12Å; M808-Y891 HydrophobicContact CG-CD1 4.06Å; M808-Y891 HydrophobicContact CG-CG 3.92Å; M808-Y891 HydrophobicContact SD-CD1 3.77Å; M808-Y891 HydrophobicContact SD-CD2 3.52Å; M808-Y891 VanDerWaalsContact SD-CD2 3.52Å; M808-Y891 HydrophobicContact SD-CE1 4.11Å; M808-Y891 HydrophobicContact SD-CE2 3.88Å; M808-Y891 HydrophobicContact SD-CG 3.45Å
809P47Very low51.5Low84 Ų8494.3 Ų94.355%0.54551%0.513SS..PPolyproline II helixtrans-58123.5164.623.5-29.3000107.1E811 Y891P809-E811 PolarHBondContact O-N 3.14Å; P809-Y891 VanDerWaalsContact CD-CE1 3.43Å; P809-Y891 HydrophobicContact CG-CE1 4.44Å
810K38.1Very low48.5Very low201 Ų201101.7 Ų101.787%0.87455%0.551SS**PPolyproline II helixtrans-50.8117.6170.4-73.3-178.4178.11770106.2M808 R812M808-K810 PolarHBondContact O-N 3.22Å; M808-K810 VanDerWaalsContact O-N 3.12Å; K810-R812 PolarHBondContact O-N 3.46Å
811E34.1Very low45.3Very low169 Ų169108.1 Ų108.179%0.7959%0.585SS**  trans-44.8121.9173-77.2-175.8157.500106.9P809 K813P809-E811 PolarHBondContact O-N 3.14Å; E811-K813 PolarHBondContact O-N 2.85Å
812R29.8Very low42.2Very low236 Ų236114.5 Ų114.589%0.89162%0.624SS**  trans-60.392.8170.1-81.8-178.2170173.9-2.7106K810 G814K810-R812 PolarHBondContact O-N 3.46Å; R812-G814 PolarHBondContact O-N 2.83Å
813K27Very low39.1Very low210 Ų210124.1 Ų124.191%0.91367%0.665SS**SBendtrans-52.3110166.9-72.9-174.5175.4-177.20105.8E811E811-K813 PolarHBondContact O-N 2.85Å
814G26.4Very low36.2Very low61 Ų61127.2 Ų127.263%0.62970%0.699SS**  trans8963.3175.300000115.9R812R812-G814 PolarHBondContact O-N 2.83Å
815A27Very low33.8Very low93 Ų93131 Ų13177%0.76973%0.734SS**  trans-98.958.5132.700000107.9S817A815-S817 PolarHBondContact O-N 3.02Å; A815-S817 VanDerWaalsContact O-N 3.11Å
816T26.4Very low31.8Very low119 Ų119135.6 Ų135.673%0.7375%0.745SS**  trans-51.7118.3157.932.40000106.8K818T816-K818 PolarHBondContact O-N 3.41Å
817S25.2Very low30.2Very low117 Ų117138.8 Ų138.882%0.81877%0.765SS**  trans-8.986.9164.6-53.20000113.1A815 S819A815-S817 PolarHBondContact O-N 3.02Å; A815-S817 VanDerWaalsContact O-N 3.11Å; S817-S819 PolarHBondContact O-N 3.34Å
818K24.4Very low29Very low195 Ų195139.5 Ų139.585%0.84877%0.769SS**  trans-69.792.9154.4-82-172.6176.6-177.70104.4T816 I820T816-K818 PolarHBondContact O-N 3.41Å; K818-I820 PolarHBondContact O-N 3.45Å
819S25.6Very low27.9Very low86 Ų86140.1 Ų140.160%0.60178%0.783SS**  trans-38.5114.4151.143.50000106.6S817 D821S817-S819 PolarHBondContact O-N 3.34Å; S819-D821 PolarHBondContact O-N 3.35Å
820I28.7Very low26.7Very low156 Ų156140.8 Ų140.880%0.880%0.796SS**  trans-67.889.6171.1-65.3169.5000104.4K818 V822K818-I820 PolarHBondContact O-N 3.45Å; I820-V822 PolarHBondContact O-N 3.18Å; I820-V822 VanDerWaalsContact O-N 3.14Å
821D24.6Very low26.1Very low134 Ų134136.5 Ų136.572%0.71779%0.791SS**  trans-61.7110.8165.6-85.6-41.4000107.2S819 K823S819-D821 PolarHBondContact O-N 3.35Å; D821-K823 PolarHBondContact O-N 3.36Å
822V26.2Very low25.5Very low135 Ų135138 Ų13882%0.81880%0.795SS**  trans-72.179.8172.2-179.40000107.8I820I820-V822 PolarHBondContact O-N 3.18Å; I820-V822 VanDerWaalsContact O-N 3.14Å
823K23.6Very low25.3Very low201 Ų201132 Ų13287%0.87479%0.79SS**  trans-148.6129.4164.8-72.6-167.6179.6173.40111.8D821D821-K823 PolarHBondContact O-N 3.36Å
824G24.7Very low25.2Very low72 Ų72127.9 Ų127.974%0.74278%0.777SS**  trans104.482.2152.800000115.4E826G824-E826 PolarHBondContact O-N 3.43Å
825A25.9Very low25.1Very low102 Ų102132.6 Ų132.684%0.84378%0.781SS**  trans-64.2112.9152.700000108.3
826E24.4Very low25.1Very low188 Ų188137.5 Ų137.588%0.87979%0.785SS**  trans-108134165.5-79.9-173.116500110.2G824G824-E826 PolarHBondContact O-N 3.43Å
827N22.3Very low25.1Very low153 Ų153139.9 Ų139.982%0.81879%0.79SS**  trans-76.1138-164.8-62.4-52.4000112.8
828P27.9Very low25.8Very low122 Ų122139.3 Ų139.379%0.79278%0.783SS**  trans-82.9116.5151.211.83.7000109.9A830P828-A830 PolarHBondContact O-N 3.42Å
829S26.2Very low25.7Very low109 Ų109134.8 Ų134.876%0.76278%0.776SS**  trans-19.8115.9154.6480000114.2
830A22.9Very low25.8Very low98 Ų98138.3 Ų138.381%0.8179%0.788SS**  73.790.276.800000114.6P828P828-A830 PolarHBondContact O-N 3.42Å
831S24.9Very low25.8Very low110 Ų110136.3 Ų136.377%0.76980%0.795SS**  trans-154.7112.1148.254.70000112.5
832K22.3Very low26.1Very low201 Ų201133.9 Ų133.987%0.87479%0.794SS**  trans56.9109.5141.6-62.4-178.9178.5179.70119.8
833S24Very low26.4Very low111 Ų111137.3 Ų137.378%0.77680%0.798SS**  138.2128.895.260.80000114.5
834D24.6Very low26.9Very low123 Ų123139.3 Ų139.366%0.65880%0.8SS**  trans76.9110.9146.7-8613.2000122.9
835K26Very low27.5Very low160 Ų160140 Ų14070%0.69679%0.792SS**  92.3115.6122.6-73.6174.3-177.9146.50121.1
836F26.8Very low28.5Very low196 Ų196140.4 Ų140.486%0.8679%0.785SS**  trans76.9130.4141.8-83.4-94.7000121.4
837M26.1Very low29.3Very low168 Ų168137.8 Ų137.883%0.82877%0.773SS**  trans-55.4179169.6-68-176.476.400114.3
838P38.7Very low30.5Very low105 Ų105133.8 Ų133.868%0.68276%0.761SS**  cis-133177.31.622.13.6000116.1
839S23Very low31.9Very low101 Ų101133.3 Ų133.371%0.70676%0.756SS**  trans-34.8126.7163.4540000116.1
840N28.7Very low33.5Very low159 Ų159133.2 Ų133.285%0.8575%0.746SS**  trans-152.1114.8136.3-99.5-23.5000110.3A842N840-A842 PolarHBondContact O-N 3.29Å
841A28.3Very low35.1Very low115 Ų115137.2 Ų137.295%0.9574%0.74SS**  trans-70.792.8171.500000109.1
842A30.8Very low36.8Very low83 Ų83139.5 Ų139.569%0.68674%0.736SS**  trans-130.5105.1171.600000109.9N840N840-A842 PolarHBondContact O-N 3.29Å
843K32.7Very low38.8Very low207 Ų207132.3 Ų132.390%0.971%0.714SS**  trans33.890.9150.3-63.8177.3178.8177.60115.8P845K843-P845 WeakPolarHBondContact O-CD 3.21Å
844R33.2Very low40.9Very low242 Ų242130 Ų13091%0.91370%0.695SS**  trans-59.5122.6168.6-74.4179.6172.1172.8-1.6109.9
845P37.8Very low42.8Very low88 Ų88133.3 Ų133.357%0.57170%0.699SS**  trans-74.9150-178.528.5-32.2000111.7K843 H847 A848K843-P845 WeakPolarHBondContact O-CD 3.21Å; P845-H847 PolarHBondContact O-N 3.16Å; P845-A848 PolarHBondContact O-N 3.46Å
846P46.3Very low44.6Very low109 Ų109131.6 Ų131.671%0.70870%0.695SS**THydrogen-bonded Turntrans-60.5-16.7-171.820.7-31.6000114.8A848 V849 L850P846-A848 VanDerWaalsContact C-N 3.27Å; P846-A848 PolarHBondContact O-N 2.76Å; P846-V849 PolarHBondContact O-N 2.87Å; P846-L850 PolarHBondContact O-N 3.19Å
847H42.6Very low46.3Very low133 Ų133125.4 Ų125.462%0.61668%0.675SS**Hα-helixtrans-63.2-25.3-179.8-92.8-70.3000115P845 R851P845-H847 PolarHBondContact O-N 3.16Å; H847-R851 PolarHBondContact O-N 2.71Å; H847-R851 VanDerWaalsContact O-N 3.14Å
848A46.2Very low47.8Very low69 Ų69122.7 Ų122.757%0.5766%0.661SS**Hα-helixtrans-72.8-33.7179.400000112.7P845 P846 K852P845-A848 PolarHBondContact O-N 3.46Å; P846-A848 VanDerWaalsContact C-N 3.27Å; P846-A848 PolarHBondContact O-N 2.76Å; A848-K852 PolarHBondContact O-N 3.02Å
849V58.1Low48.7Very low113 Ų113119.3 Ų119.369%0.68565%0.645SS**Hα-helixtrans-71.3-42.4177.2-178.80000110.1P846 R851 K852 A853P846-V849 PolarHBondContact O-N 2.87Å; V849-R851 PolarHBondContact O-N 3.21Å; V849-K852 PolarHBondContact O-N 3.18Å; V849-A853 PolarHBondContact O-N 3.02Å
850L59.5Low50.7Low106 Ų106121.1 Ų121.156%0.55564%0.64SS**Hα-helixtrans-62.5-43.3177.5-16276.3000111.9P846 K852 A853 V854P846-L850 PolarHBondContact O-N 3.19Å; L850-K852 VanDerWaalsContact C-N 3.28Å; L850-K852 PolarHBondContact O-N 2.77Å; L850-A853 PolarHBondContact O-N 2.68Å; L850-V854 WeakPolarHBondContact O-CB 3.02Å; L850-V854 VanDerWaalsContact O-CG2 3.29Å; L850-V854 WeakPolarHBondContact O-CG2 2.98Å; L850-V854 PolarHBondContact O-N 3.04Å
851R57.2Low51.7Low183 Ų183118.3 Ų118.369%0.69162%0.624SS**Hα-helixtrans-61.9-34.5175.7-78.8-175.8-178.4179.51.6112.9H847 V849 R855H847-R851 PolarHBondContact O-N 2.71Å; H847-R851 VanDerWaalsContact O-N 3.14Å; V849-R851 PolarHBondContact O-N 3.21Å; R851-R855 WeakPolarHBondContact O-CB 3.08Å; R851-R855 WeakPolarHBondContact O-CG 3.45Å; R851-R855 PolarHBondContact O-N 2.94Å
852K59.6Low53Low157 Ų157119.4 Ų119.468%0.68361%0.61SS**Hα-helixtrans-72.5-39.3177.5-149178.1-174.5-176.50111.5A848 V849 L850 M856A848-K852 PolarHBondContact O-N 3.02Å; V849-K852 PolarHBondContact O-N 3.18Å; L850-K852 VanDerWaalsContact C-N 3.28Å; L850-K852 PolarHBondContact O-N 2.77Å; K852-M856 WeakPolarHBondContact O-CG 3.39Å; K852-M856 PolarHBondContact O-N 3.36Å
853A65Low54.4Low50 Ų50121.4 Ų121.441%0.41361%0.605SS.*Hα-helixtrans-65.4-44.3173.700000112.1V849 L850 M856 S857V849-A853 PolarHBondContact O-N 3.02Å; L850-A853 PolarHBondContact O-N 2.68Å; A853-M856 PolarHBondContact O-N 3.17Å; A853-S857 WeakPolarHBondContact O-CB 3.28Å; A853-S857 PolarHBondContact O-N 3.24Å
854V67.9Low55.6Low63 Ų63115.8 Ų115.838%0.38258%0.584SS.*Hα-helixtrans-62.8-45.1176.1173.30000110.7L850 M856 S857 Q858L850-V854 WeakPolarHBondContact O-CB 3.02Å; L850-V854 VanDerWaalsContact O-CG2 3.29Å; L850-V854 WeakPolarHBondContact O-CG2 2.98Å; L850-V854 PolarHBondContact O-N 3.04Å; V854-M856 PolarHBondContact O-N 3.07Å; V854-S857 CarbonylContact O-C 3.57Å; V854-S857 PolarHBondContact O-N 3.31Å; V854-S857 VanDerWaalsContact O-N 3.15Å; V854-S857 PolarHBondContact O-OG 3.35Å; V854-Q858 HydrophobicContact CG1-CG 4.23Å; V854-Q858 WeakPolarHBondContact O-CB 3.32Å; V854-Q858 WeakPolarHBondContact O-CG 3.5Å; V854-Q858 PolarHBondContact O-N 3.18Å
855R65.2Low56.3Low193 Ų193108.3 Ų108.373%0.72856%0.561SS**Hα-helixtrans-63-37.7175.3-79.5-177.7178.5178.2-1.2113.3R851 G859R851-R855 WeakPolarHBondContact O-CB 3.08Å; R851-R855 WeakPolarHBondContact O-CG 3.45Å; R851-R855 PolarHBondContact O-N 2.94Å; R855-G859 PolarHBondContact O-N 3.2Å
856M62.7Low56.8Low124 Ų124109.5 Ų109.561%0.61156%0.558SS**Hα-helixtrans-67.6-36.7172.9-77.6-161.5-63.900112.1K852 A853 V854 K860K852-M856 WeakPolarHBondContact O-CG 3.39Å; K852-M856 PolarHBondContact O-N 3.36Å; A853-M856 PolarHBondContact O-N 3.17Å; V854-M856 PolarHBondContact O-N 3.07Å; M856-K860 WeakPolarHBondContact O-CB 3.38Å; M856-K860 WeakPolarHBondContact O-CG 3.44Å; M856-K860 PolarHBondContact O-N 3.18Å
857S62.3Low56.8Low65 Ų65108.3 Ų108.346%0.45555%0.545SS..Hα-helixtrans-69.8-39.7175.878.20000112.1A853 V854 K860 L861A853-S857 WeakPolarHBondContact O-CB 3.28Å; A853-S857 PolarHBondContact O-N 3.24Å; V854-S857 CarbonylContact O-C 3.57Å; V854-S857 PolarHBondContact O-N 3.31Å; V854-S857 VanDerWaalsContact O-N 3.15Å; V854-S857 PolarHBondContact O-OG 3.35Å; S857-K860 PolarHBondContact O-N 3.44Å; S857-L861 WeakPolarHBondContact O-CB 3.37Å; S857-L861 PolarHBondContact O-N 3.34Å
858Q58.9Low56.8Low112 Ų112106.4 Ų106.452%0.52354%0.539SS..Hα-helixtrans-70.8-39175.9-76-179.6-25.800111.1V854 L861 Q862V854-Q858 HydrophobicContact CG1-CG 4.23Å; V854-Q858 WeakPolarHBondContact O-CB 3.32Å; V854-Q858 WeakPolarHBondContact O-CG 3.5Å; V854-Q858 PolarHBondContact O-N 3.18Å; Q858-L861 PolarHBondContact O-N 2.88Å; Q858-Q862 VanDerWaalsContact O-CB 3.32Å; Q858-Q862 WeakPolarHBondContact O-CB 3.41Å; Q858-Q862 PolarHBondContact O-N 2.86Å
859G57.6Low56.4Low33 Ų33109.3 Ų109.334%0.3454%0.541SS..Hα-helixtrans-60.5-48.3171.900000111.2R855 L861 Q862 E863R855-G859 PolarHBondContact O-N 3.2Å; G859-L861 PolarHBondContact O-N 3.34Å; G859-Q862 PolarHBondContact O-N 2.97Å; G859-E863 VanDerWaalsContact O-CB 3.28Å; G859-E863 WeakPolarHBondContact O-CB 3.25Å; G859-E863 PolarHBondContact O-N 3.24Å
860K64.9Low55.6Low140 Ų140109.5 Ų109.561%0.60953%0.534SS*.Hα-helixtrans-64.1-37.1173.5-78-178.5177.3-1760113.1M856 S857 E863 I864M856-K860 WeakPolarHBondContact O-CB 3.38Å; M856-K860 WeakPolarHBondContact O-CG 3.44Å; M856-K860 PolarHBondContact O-N 3.18Å; S857-K860 PolarHBondContact O-N 3.44Å; K860-E863 CarbonylContact O-C 3.45Å; K860-E863 PolarHBondContact O-N 3.12Å; K860-I864 WeakPolarHBondContact O-CB 3.23Å; K860-I864 WeakPolarHBondContact O-CD1 3.32Å; K860-I864 WeakPolarHBondContact O-CG1 3.4Å; K860-I864 PolarHBondContact O-N 3.06Å
861L49.9Very low54.7Low99 Ų99109.5 Ų109.552%0.51853%0.531SS..Hα-helixtrans-72-38.2178.5-172.969.2000111.1S857 Q858 G859 E863 I864 L865S857-L861 WeakPolarHBondContact O-CB 3.37Å; S857-L861 PolarHBondContact O-N 3.34Å; Q858-L861 PolarHBondContact O-N 2.88Å; G859-L861 PolarHBondContact O-N 3.34Å; L861-E863 VanDerWaalsContact C-N 3.32Å; L861-I864 CarbonylContact O-C 3.4Å; L861-I864 PolarHBondContact O-N 2.96Å; L861-L865 HydrophobicContact CG-CD1 4.13Å; L861-L865 VanDerWaalsContact O-CB 3.28Å; L861-L865 WeakPolarHBondContact O-CB 3.5Å; L861-L865 PolarHBondContact O-N 2.96Å
862Q55.6Low53.6Low139 Ų139106.7 Ų106.765%0.6553%0.53SS*.Hα-helixtrans-66.5-36.2169.5-94.8-179.7-31.100111Q858 G859 I864 K866Q858-Q862 VanDerWaalsContact O-CB 3.32Å; Q858-Q862 WeakPolarHBondContact O-CB 3.41Å; Q858-Q862 PolarHBondContact O-N 2.86Å; G859-Q862 PolarHBondContact O-N 2.97Å; Q862-I864 VanDerWaalsContact C-N 3.35Å; Q862-K866 WeakPolarHBondContact O-CA 3.35Å; Q862-K866 WeakPolarHBondContact O-CB 3.39Å; Q862-K866 PolarHBondContact O-N 3.18Å
863E58.7Low52.6Low124 Ų124101.7 Ų101.758%0.57951%0.514SS*.Hα-helixtrans-69.4-34.5173.8-150.1171.2-155.400110.8G859 K860 L861 N867G859-E863 VanDerWaalsContact O-CB 3.28Å; G859-E863 WeakPolarHBondContact O-CB 3.25Å; G859-E863 PolarHBondContact O-N 3.24Å; K860-E863 CarbonylContact O-C 3.45Å; K860-E863 PolarHBondContact O-N 3.12Å; L861-E863 VanDerWaalsContact C-N 3.32Å; E863-N867 WeakPolarHBondContact O-CA 3.41Å; E863-N867 WeakPolarHBondContact O-CB 3.34Å; E863-N867 PolarHBondContact O-N 2.72Å; E863-N867 PolarHBondContact O-ND2 2.86Å
864I59.3Low51.1Low90 Ų90104.1 Ų104.146%0.46253%0.527SS..Hα-helixtrans-70.4-45.8172-71.1161.9000110.9K860 L861 Q862 K866 N867 I868K860-I864 WeakPolarHBondContact O-CB 3.23Å; K860-I864 WeakPolarHBondContact O-CD1 3.32Å; K860-I864 WeakPolarHBondContact O-CG1 3.4Å; K860-I864 PolarHBondContact O-N 3.06Å; L861-I864 CarbonylContact O-C 3.4Å; L861-I864 PolarHBondContact O-N 2.96Å; Q862-I864 VanDerWaalsContact C-N 3.35Å; I864-K866 VanDerWaalsContact C-N 3.35Å; I864-N867 CarbonylContact O-C 3.58Å; I864-N867 PolarHBondContact O-N 3.48Å; I864-I868 HydrophobicContact CG2-CD1 3.71Å; I864-I868 HydrophobicContact CG2-CG1 4.41Å; I864-I868 WeakPolarHBondContact O-CB 2.87Å; I864-I868 WeakPolarHBondContact O-CD1 3.31Å; I864-I868 WeakPolarHBondContact O-CG1 3.4Å; I864-I868 PolarHBondContact O-N 3.15Å
865L47.1Very low49.8Very low84 Ų84105.2 Ų105.244%0.4453%0.527SS..Hα-helixtrans-64.5-40.9176.1-91155.1000111.1L861 I868 E869L861-L865 HydrophobicContact CG-CD1 4.13Å; L861-L865 VanDerWaalsContact O-CB 3.28Å; L861-L865 WeakPolarHBondContact O-CB 3.5Å; L861-L865 PolarHBondContact O-N 2.96Å; L865-I868 CarbonylContact O-C 3.58Å; L865-I868 PolarHBondContact O-N 2.73Å; L865-E869 VanDerWaalsContact O-CB 3.32Å; L865-E869 WeakPolarHBondContact O-CB 2.79Å; L865-E869 WeakPolarHBondContact O-CG 3.39Å; L865-E869 PolarHBondContact O-N 3.27Å
866K47.8Very low48.7Very low113 Ų11397 Ų9749%0.49150%0.498SS..Hα-helixtrans-71.1-35.6174.7-172.1178.1173-171.20110.7Q862 I864 I868 E869 E870Q862-K866 WeakPolarHBondContact O-CA 3.35Å; Q862-K866 WeakPolarHBondContact O-CB 3.39Å; Q862-K866 PolarHBondContact O-N 3.18Å; I864-K866 VanDerWaalsContact C-N 3.35Å; K866-I868 VanDerWaalsContact C-N 3.3Å; K866-E869 PolarHBondContact O-N 2.71Å; K866-E870 VanDerWaalsContact CE-CD 3.42Å; K866-E870 WeakPolarHBondContact CE-OE1 3.18Å; K866-E870 HydrophobicContact CG-CG 4.01Å; K866-E870 IonicContact NZ-OE1 3.65Å; K866-E870 WeakPolarHBondContact O-CA 3.21Å; K866-E870 WeakPolarHBondContact O-CB 3.44Å; K866-E870 VanDerWaalsContact O-CG 3.23Å; K866-E870 WeakPolarHBondContact O-CG 3.35Å; K866-E870 PolarHBondContact O-N 3.02Å
867N46.9Very low47.6Very low84 Ų84102.7 Ų102.745%0.44951%0.513SS..Hα-helixtrans-67.5-31.9169.1-74.9-31.4000111.1E863 I864 E871E863-N867 WeakPolarHBondContact O-CA 3.41Å; E863-N867 WeakPolarHBondContact O-CB 3.34Å; E863-N867 PolarHBondContact O-N 2.72Å; E863-N867 PolarHBondContact O-ND2 2.86Å; I864-N867 CarbonylContact O-C 3.58Å; I864-N867 PolarHBondContact O-N 3.48Å; N867-E871 WeakPolarHBondContact O-CA 3.48Å; N867-E871 WeakPolarHBondContact O-CB 3.15Å; N867-E871 WeakPolarHBondContact O-CG 3.45Å; N867-E871 PolarHBondContact O-N 3.36Å
868I43.2Very low46.5Very low94 Ų94101.6 Ų101.648%0.48250%0.502SS..Hα-helixtrans-73.8-36.2173.8-70.7163.6000110.9I864 L865 K866 E871I864-I868 HydrophobicContact CG2-CD1 3.71Å; I864-I868 HydrophobicContact CG2-CG1 4.41Å; I864-I868 WeakPolarHBondContact O-CB 2.87Å; I864-I868 WeakPolarHBondContact O-CD1 3.31Å; I864-I868 WeakPolarHBondContact O-CG1 3.4Å; I864-I868 PolarHBondContact O-N 3.15Å; L865-I868 CarbonylContact O-C 3.58Å; L865-I868 PolarHBondContact O-N 2.73Å; K866-I868 VanDerWaalsContact C-N 3.3Å; I868-E871 CarbonylContact O-C 3.5Å; I868-E871 WeakPolarHBondContact O-CB 3.41Å
869E38.2Very low45.6Very low130 Ų13097.8 Ų97.861%0.60749%0.492SS*.Hα-helixtrans-80.7-33.3177.6-79.1-178.2164.800112.6L865 K866 E871 N872L865-E869 VanDerWaalsContact O-CB 3.32Å; L865-E869 WeakPolarHBondContact O-CB 2.79Å; L865-E869 WeakPolarHBondContact O-CG 3.39Å; L865-E869 PolarHBondContact O-N 3.27Å; K866-E869 PolarHBondContact O-N 2.71Å; E869-E871 VanDerWaalsContact C-N 3.34Å; E869-N872 WeakPolarHBondContact O-CB 3.46Å; E869-N872 VanDerWaalsContact O-CG 3.3Å; E869-N872 PolarHBondContact O-N 3.2Å; E869-N872 PolarHBondContact O-ND2 3.13Å
870E40.2Very low45.4Very low117 Ų11798.1 Ų98.155%0.54749%0.486SS..Hα-helixtrans-79.7-19.7168.6-68.4-178.2159.200110.9K866 N872K866-E870 VanDerWaalsContact CE-CD 3.42Å; K866-E870 WeakPolarHBondContact CE-OE1 3.18Å; K866-E870 HydrophobicContact CG-CG 4.01Å; K866-E870 IonicContact NZ-OE1 3.65Å; K866-E870 WeakPolarHBondContact O-CA 3.21Å; K866-E870 WeakPolarHBondContact O-CB 3.44Å; K866-E870 VanDerWaalsContact O-CG 3.23Å; K866-E870 WeakPolarHBondContact O-CG 3.35Å; K866-E870 PolarHBondContact O-N 3.02Å; E870-N872 CarbonylContact O-C 3.55Å; E870-N872 PolarHBondContact O-N 2.64Å
871E39.8Very low44.5Very low106 Ų10691.7 Ų91.750%0.49546%0.46SS..THydrogen-bonded Turntrans-69.89.4155.3-84.2177.817600112.1N867 I868 E869 P873N867-E871 WeakPolarHBondContact O-CA 3.48Å; N867-E871 WeakPolarHBondContact O-CB 3.15Å; N867-E871 WeakPolarHBondContact O-CG 3.45Å; N867-E871 PolarHBondContact O-N 3.36Å; I868-E871 CarbonylContact O-C 3.5Å; I868-E871 WeakPolarHBondContact O-CB 3.41Å; E869-E871 VanDerWaalsContact C-N 3.34Å; E871-P873 VanDerWaalsContact C-N 3.3Å; E871-P873 WeakPolarHBondContact O-CD 3.46Å
872N34.7Very low44.7Very low123 Ų12387.2 Ų87.266%0.65844%0.437SS*.SBendtrans-84.572.7141.9-56.9-56.4000108.3E869 E870 S874E869-N872 WeakPolarHBondContact O-CB 3.46Å; E869-N872 VanDerWaalsContact O-CG 3.3Å; E869-N872 PolarHBondContact O-N 3.2Å; E869-N872 PolarHBondContact O-ND2 3.13Å; E870-N872 CarbonylContact O-C 3.55Å; E870-N872 PolarHBondContact O-N 2.64Å; N872-S874 PolarHBondContact O-N 2.88Å
873P37.9Very low44.8Very low53 Ų5381.1 Ų81.134%0.34441%0.409SS..  trans-60.4137.817130.3-33.7000106E871 F875E871-P873 VanDerWaalsContact C-N 3.3Å; E871-P873 WeakPolarHBondContact O-CD 3.46Å; P873-F875 PolarHBondContact O-N 2.88Å
874S35.3Very low44.9Very low101 Ų10175.3 Ų75.371%0.70638%0.382SS*.  trans-41.396.4163.955.40000107.9N872 V876N872-S874 PolarHBondContact O-N 2.88Å; S874-V876 PolarHBondContact O-N 2.94Å
875F39.9Very low45.7Very low85 Ų8571.1 Ų71.137%0.37336%0.36SS..  trans-59.7130.3-179.6-153.1-104.7000103.9F448 P873 R877 L878F448-F875 HydrophobicContact CD1-CD2 4.24Å; F448-F875 AromaticContact CD1-CE2 3.37Å; F448-F875 HydrophobicContact CD1-CE2 3.37Å; F448-F875 AromaticContact CD1-CZ 3.72Å; F448-F875 HydrophobicContact CD1-CZ 3.72Å; F448-F875 AromaticContact CE1-CD2 3.82Å; F448-F875 HydrophobicContact CE1-CD2 3.82Å; F448-F875 AromaticContact CE1-CE2 3.41Å; F448-F875 HydrophobicContact CE1-CE2 3.41Å; F448-F875 VanDerWaalsContact CE1-CE2 3.41Å; F448-F875 HydrophobicContact CE1-CZ 4.12Å; F448-F875 HydrophobicContact CG-CE2 4.33Å; F448-F875 HydrophobicContact CG-CZ 4.28Å; F448-F875 HydrophobicContact CZ-CE2 4.4Å; P873-F875 PolarHBondContact O-N 2.88Å; F875-R877 PolarHBondContact O-N 2.85Å; F875-L878 HydrophobicContact CD1-CD1 4.22Å; F875-L878 HydrophobicContact CD1-CG 4.06Å; F875-L878 HydrophobicContact CE1-CD1 3.52Å; F875-L878 HydrophobicContact CE1-CD2 4.11Å; F875-L878 HydrophobicContact CE1-CG 3.73Å
876V41.6Very low47.2Very low21 Ų2167.1 Ų67.113%0.12734%0.34CS..  trans-46.2123.8172.6177.70000104.7L804 S874 L878 K890L804-V876 HydrophobicContact CD1-CG1 4.08Å; S874-V876 PolarHBondContact O-N 2.94Å; V876-L878 PolarHBondContact O-N 2.95Å; V876-K890 HydrophobicContact CG2-CD 3.99Å; V876-K890 HydrophobicContact CG2-CG 3.92Å
877R38.9Very low49.1Very low244 Ų24461.7 Ų61.792%0.92132%0.316SS*.  trans-58.396.3168-80.8-172.4178.1-176.30.3103.4F875 G879F875-R877 PolarHBondContact O-N 2.85Å; R877-G879 PolarHBondContact O-N 3.42Å
878L39.6Very low50.9Low42 Ų4257.8 Ų57.822%0.2230%0.295CS..  trans-59.1108.5-167.3-76.4171.9000106.2F875 V876 D880 V883F875-L878 HydrophobicContact CD1-CD1 4.22Å; F875-L878 HydrophobicContact CD1-CG 4.06Å; F875-L878 HydrophobicContact CE1-CD1 3.52Å; F875-L878 HydrophobicContact CE1-CD2 4.11Å; F875-L878 HydrophobicContact CE1-CG 3.73Å; V876-L878 PolarHBondContact O-N 2.95Å; L878-D880 PolarHBondContact O-N 2.66Å; L878-V883 HydrophobicContact CB-CG2 3.52Å; L878-V883 HydrophobicContact CD1-CG1 4.04Å; L878-V883 HydrophobicContact CD1-CG2 3.73Å; L878-V883 HydrophobicContact CD2-CG2 4.34Å; L878-V883 HydrophobicContact CG-CG2 4.08Å
879G40.2Very low52.9Low31 Ų3153.4 Ų53.432%0.3227%0.273SS..  trans-66.4115.617000000109R877 A881 S882R877-G879 PolarHBondContact O-N 3.42Å; G879-A881 PolarHBondContact O-N 3.05Å; G879-S882 PolarHBondContact O-OG 3.1Å
880D53.6Low54.9Low40 Ų4050.2 Ų50.221%0.21426%0.257CS..THydrogen-bonded Turn71.5-62.8128-66.823.1000118.6L299 R322 L878L299-D880 HydrophobicContact CB-CB 3.73Å; L299-D880 VanDerWaalsContact CD1-CA 3.45Å; L299-D880 HydrophobicContact CD1-CB 3.49Å; L299-D880 VanDerWaalsContact CD1-CB 3.49Å; L299-D880 WeakPolarHBondContact CD1-O 3.43Å; L299-D880 HydrophobicContact CG-CB 3.64Å; L299-D880 VanDerWaalsContact CG-O 3.25Å; L299-D880 WeakPolarHBondContact CG-O 3.43Å; R322-D880 IonicContact CZ-OD1 2.94Å; R322-D880 IonicContact NH1-OD1 3.4Å; R322-D880 PolarHBondContact NH1-OD1 2.89Å; L878-D880 PolarHBondContact O-N 2.66Å
881A45.9Very low56.9Low6 Ų647.2 Ų47.25%0.0524%0.241CC..THydrogen-bonded Turntrans-135.2-23.6-176.300000114.5L362 G787 V791 G879 V883 A884L362-A881 HydrophobicContact CD2-CB 4.46Å; G787-A881 WeakPolarHBondContact O-CB 3.17Å; V791-A881 HydrophobicContact CG2-CB 3.74Å; G879-A881 PolarHBondContact O-N 3.05Å; A881-V883 PolarHBondContact O-N 3.36Å; A881-V883 VanDerWaalsContact O-N 3.11Å; A881-A884 WeakPolarHBondContact O-CB 3.09Å; A881-A884 PolarHBondContact O-N 2.73Å
882S54.5Low58.9Low5 Ų543.4 Ų43.44%0.03523%0.226CC..G310 helixtrans-61.7-18.2179.563.80000115L804 G879 A884 A885 T888L804-S882 WeakPolarHBondContact CD2-OG 3.38Å; G879-S882 PolarHBondContact O-OG 3.1Å; S882-A884 VanDerWaalsContact C-N 3.26Å; S882-A884 PolarHBondContact O-N 2.87Å; S882-A885 PolarHBondContact O-N 2.96Å; S882-T888 PolarHBondContact O-OG1 3.19Å
883V57.2Low61.4Low11 Ų1138.3 Ų38.37%0.06720%0.2CC..G310 helixtrans-69.7-25.3178.1-1690000112.4M244 L878 A881 A885M244-V883 HydrophobicContact CE-CG1 3.86Å; M244-V883 HydrophobicContact SD-CB 3.86Å; M244-V883 HydrophobicContact SD-CG1 3.67Å; M244-V883 HydrophobicContact SD-CG2 3.8Å; L878-V883 HydrophobicContact CB-CG2 3.52Å; L878-V883 HydrophobicContact CD1-CG1 4.04Å; L878-V883 HydrophobicContact CD1-CG2 3.73Å; L878-V883 HydrophobicContact CD2-CG2 4.34Å; L878-V883 HydrophobicContact CG-CG2 4.08Å; A881-V883 PolarHBondContact O-N 3.36Å; A881-V883 VanDerWaalsContact O-N 3.11Å; V883-A885 PolarHBondContact O-N 2.93Å
884A60.5Low63.8Low2 Ų235.8 Ų35.82%0.01718%0.184CC..G310 helixtrans-66.6-27.4177.700000112.1I366 V791 K795 A881 S882I366-A884 HydrophobicContact CD1-CB 3.86Å; I366-A884 HydrophobicContact CG1-CB 3.6Å; V791-A884 HydrophobicContact CG1-CB 3.31Å; K795-A884 VanDerWaalsContact CD-O 3.27Å; K795-A884 WeakPolarHBondContact CD-O 3.12Å; A881-A884 WeakPolarHBondContact O-CB 3.09Å; A881-A884 PolarHBondContact O-N 2.73Å; S882-A884 VanDerWaalsContact C-N 3.26Å; S882-A884 PolarHBondContact O-N 2.87Å
885A76.3Confident66.4Low1 Ų134.1 Ų34.11%0.00817%0.165CC..SBendtrans-68.4142.1179.900000111.2T450 L794 A802 S882 V883 F887T450-A885 PolarHBondContact OG1-O 2.8Å; L794-A885 HydrophobicContact CB-CB 4.14Å; L794-A885 HydrophobicContact CD1-CB 4.26Å; A802-A885 HydrophobicContact CB-CB 3.61Å; S882-A885 PolarHBondContact O-N 2.96Å; V883-A885 PolarHBondContact O-N 2.93Å; A885-F887 WeakPolarHBondContact CB-O 3.46Å; A885-F887 PolarHBondContact O-N 2.82Å
886P79.3Confident68.7Low0 Ų030.3 Ų30.30%015%0.149CC..SBendtrans-51.6-40.2170.4-3338.7000114.3C449 T450 R454 L794C449-P886 CarbonylContact C-O 3.57Å; C449-P886 VanDerWaalsContact CA-O 3.24Å; C449-P886 WeakPolarHBondContact CA-O 3.41Å; T450-P886 PolarHBondContact N-O 3.14Å; T450-P886 WeakPolarHBondContact OG1-CA 2.99Å; T450-P886 PolarHBondContact OG1-O 3.39Å; R454-P886 VanDerWaalsContact CD-CB 3.42Å; R454-P886 VanDerWaalsContact CD-CG 3.41Å; R454-P886 VanDerWaalsContact CZ-CG 3.45Å; R454-P886 VanDerWaalsContact NH1-CG 3.31Å; L794-P886 WeakPolarHBondContact O-CD 3.34Å
887F87.7Confident71.1Confident0 Ų029.3 Ų29.30%014%0.142CC..EExtended strand (participates in β ladder)trans-123.7137.8177.9-59.9-84.1000109.7L442 I447 F448 C449 R454 V455 V799 G800 V801 A802 A885 V900L442-F887 HydrophobicContact CD1-CE1 4.16Å; I447-F887 HydrophobicContact CG2-CB 4.43Å; I447-F887 HydrophobicContact CG2-CD1 4.29Å; F448-F887 CarbonylContact O-C 3.45Å; F448-F887 VanDerWaalsContact O-CA 3.26Å; F448-F887 WeakPolarHBondContact O-CA 3.25Å; C449-F887 HydrophobicContact CB-CD1 3.77Å; C449-F887 HydrophobicContact CB-CE1 3.77Å; C449-F887 WeakPolarHBondContact SG-CE1 3.33Å; R454-F887 HydrophobicContact CB-CE2 4.04Å; R454-F887 HydrophobicContact CB-CZ 4.25Å; V455-F887 HydrophobicContact CB-CZ 4.47Å; V455-F887 HydrophobicContact CG2-CE1 3.8Å; V455-F887 HydrophobicContact CG2-CZ 3.81Å; V799-F887 HydrophobicContact CG1-CD2 3.82Å; V799-F887 HydrophobicContact CG1-CE2 3.77Å; G800-F887 WeakPolarHBondContact O-CB 3.49Å; G800-F887 PolarHBondContact O-N 2.99Å; V801-F887 CarbonylContact C-O 3.53Å; V801-F887 WeakPolarHBondContact CA-O 3.32Å; V801-F887 HydrophobicContact CG2-CB 4.14Å; A802-F887 PolarHBondContact N-O 3.07Å; A885-F887 WeakPolarHBondContact CB-O 3.46Å; A885-F887 PolarHBondContact O-N 2.82Å; F887-V900 HydrophobicContact CD1-CG2 4.26Å; F887-V900 HydrophobicContact CD2-CG1 4.31Å; F887-V900 HydrophobicContact CE1-CG1 4.44Å; F887-V900 HydrophobicContact CE2-CG1 4.26Å; F887-V900 HydrophobicContact CG-CG1 4.46Å; F887-V900 HydrophobicContact CG-CG2 4.36Å; F887-V900 HydrophobicContact CZ-CG1 4.33Å
888T84Confident73.6Confident2 Ų217.8 Ų17.81%0.01210%0.1CC..EExtended strand (participates in β ladder)trans-127.5119175.3-47.80000108.2F448 A802 L804 S882F448-T888 PolarHBondContact N-O 3.02Å; F448-T888 PolarHBondContact O-N 2.66Å; A802-T888 HydrophobicContact CB-CG2 4.38Å; A802-T888 CarbonylContact O-C 3.54Å; A802-T888 WeakPolarHBondContact O-CA 3.4Å; L804-T888 HydrophobicContact CD1-CG2 3.67Å; L804-T888 HydrophobicContact CD2-CG2 4.49Å; L804-T888 HydrophobicContact CG-CG2 3.89Å; S882-T888 PolarHBondContact O-OG1 3.19Å
889S86Confident76.1Confident2 Ų217.6 Ų17.61%0.01410%0.097CC..EExtended strand (participates in β ladder)trans-88.3131.3172.6-167.40000110A802 L804 Y891 S896A802-S889 PolarHBondContact O-N 2.84Å; L804-S889 VanDerWaalsContact CB-O 3.31Å; L804-S889 WeakPolarHBondContact CB-O 3.39Å; L804-S889 WeakPolarHBondContact CG-O 3.31Å; L804-S889 PolarHBondContact N-O 3.15Å; S889-Y891 PolarHBondContact O-N 3.44Å; S889-Y891 PolarHBondContact OG-N 3.31Å; S889-Y891 PolarHBondContact OG-O 3.34Å; S889-S896 WeakPolarHBondContact OG-CB 3.4Å
890K79.9Confident78.6Confident62 Ų6216.2 Ų16.227%0.278%0.083SC..EExtended strand (participates in β ladder)trans-59.5-29.4170.7-172.8168.3-180175.40112.2G446 F448 H806 V876G446-K890 WeakPolarHBondContact O-CB 3.43Å; G446-K890 PolarHBondContact O-N 3.38Å; F448-K890 HydrophobicContact CE2-CB 4.2Å; H806-K890 WeakPolarHBondContact CB-O 3.2Å; V876-K890 HydrophobicContact CG2-CD 3.99Å; V876-K890 HydrophobicContact CG2-CG 3.92Å
891Y82.8Confident80.4Confident55 Ų5514.3 Ų14.322%0.2167%0.072CC..EExtended strand (participates in β ladder)trans-103.7148.6-171.6-54.2-64.8000111.4L804 H806 M808 P809 S889 S893L804-Y891 CarbonylContact O-C 3.54Å; H806-Y891 WeakPolarHBondContact O-CA 3.47Å; M808-Y891 HydrophobicContact CG-CD1 4.06Å; M808-Y891 HydrophobicContact CG-CG 3.92Å; M808-Y891 HydrophobicContact SD-CD1 3.77Å; M808-Y891 HydrophobicContact SD-CD2 3.52Å; M808-Y891 VanDerWaalsContact SD-CD2 3.52Å; M808-Y891 HydrophobicContact SD-CE1 4.11Å; M808-Y891 HydrophobicContact SD-CE2 3.88Å; M808-Y891 HydrophobicContact SD-CG 3.45Å; P809-Y891 VanDerWaalsContact CD-CE1 3.43Å; P809-Y891 HydrophobicContact CG-CE1 4.44Å; S889-Y891 PolarHBondContact O-N 3.44Å; S889-Y891 PolarHBondContact OG-N 3.31Å; S889-Y891 PolarHBondContact OG-O 3.34Å; Y891-S893 PolarHBondContact O-N 3.14Å
892S81.9Confident82.6Confident25 Ų2515.1 Ų15.118%0.1757%0.074CC..SBendtrans-72.74.4177.7-170.40000113.5K651 L804 H806K651-S892 WeakPolarHBondContact CE-OG 3.31Å; K651-S892 PolarHBondContact NZ-O 3.31Å; K651-S892 PolarHBondContact NZ-OG 3.24Å; L804-S892 VanDerWaalsContact O-CA 3.23Å; L804-S892 WeakPolarHBondContact O-CA 3.37Å; L804-S892 WeakPolarHBondContact O-CB 3.45Å; L804-S892 PolarHBondContact O-N 3.49Å; H806-S892 PolarHBondContact O-N 2.99Å; H806-S892 VanDerWaalsContact O-N 3.1Å
893S86.2Confident84.4Confident16 Ų1615.4 Ų15.411%0.1128%0.075CC..  trans-87.5135.1-176172.40000112.2D653 Y891 Q895 S896D653-S893 WeakPolarHBondContact OD2-CA 3.32Å; D653-S893 VanDerWaalsContact OD2-CB 3.24Å; D653-S893 WeakPolarHBondContact OD2-CB 3.38Å; D653-S893 PolarHBondContact OD2-OG 3.34Å; Y891-S893 PolarHBondContact O-N 3.14Å; S893-Q895 PolarHBondContact O-N 3.29Å; S893-Q895 WeakPolarHBondContact OG-CB 3.35Å; S893-Q895 PolarHBondContact OG-N 2.97Å; S893-Q895 VanDerWaalsContact OG-N 3.13Å; S893-S896 PolarHBondContact O-N 2.99Å; S893-S896 PolarHBondContact O-OG 2.95Å
894I88.9Confident86Confident0 Ų014.9 Ų14.90%07%0.072CC..THydrogen-bonded Turntrans-72.6-6.8173.560.9162.5000113F466 T471 L472 V657 V658 L803 S896 I897F466-I894 HydrophobicContact CD1-CG2 4.43Å; F466-I894 HydrophobicContact CE1-CB 4.34Å; F466-I894 HydrophobicContact CE1-CD1 4.12Å; F466-I894 HydrophobicContact CE1-CG2 4.26Å; T471-I894 HydrophobicContact CG2-CG2 4.15Å; L472-I894 HydrophobicContact CD2-CD1 3.99Å; V657-I894 HydrophobicContact CB-CD1 3.77Å; V657-I894 HydrophobicContact CB-CG1 3.86Å; V657-I894 HydrophobicContact CG1-CB 4.42Å; V657-I894 HydrophobicContact CG1-CD1 3.72Å; V657-I894 HydrophobicContact CG1-CG1 3.77Å; V657-I894 HydrophobicContact CG2-CG1 4.15Å; V658-I894 HydrophobicContact CG2-CD1 4.19Å; L803-I894 HydrophobicContact CD1-CG2 3.82Å; I894-S896 PolarHBondContact O-N 2.86Å; I894-S896 VanDerWaalsContact O-N 3.1Å; I894-I897 HydrophobicContact CB-CD1 4.12Å; I894-I897 VanDerWaalsContact O-CB 3.3Å; I894-I897 WeakPolarHBondContact O-CB 3.02Å; I894-I897 WeakPolarHBondContact O-CG1 3.37Å; I894-I897 PolarHBondContact O-N 3.27Å
895Q89.7Confident87.5Confident66 Ų6615 Ų1531%0.3087%0.072SC..Hα-helixtrans-57.1-25.8173.1179.762.1-0.200112.3V657 S893 I897 C898 H899V657-Q895 HydrophobicContact CG2-CB 4.17Å; V657-Q895 VanDerWaalsContact CG2-OE1 3.32Å; S893-Q895 PolarHBondContact O-N 3.29Å; S893-Q895 WeakPolarHBondContact OG-CB 3.35Å; S893-Q895 PolarHBondContact OG-N 2.97Å; S893-Q895 VanDerWaalsContact OG-N 3.13Å; Q895-I897 PolarHBondContact O-N 2.86Å; Q895-C898 WeakPolarHBondContact O-CB 3.23Å; Q895-C898 PolarHBondContact O-N 3.46Å; Q895-H899 PolarHBondContact O-CD2 3.49Å; Q895-H899 PolarHBondContact O-N 3.45Å
896S89Confident88.2Confident5 Ų515.2 Ų15.24%0.0357%0.073CC..Hα-helixtrans-51.3-35.5171.757.30000112.7L803 S889 S893 I894 H899 V900L803-S896 WeakPolarHBondContact CD2-OG 2.91Å; S889-S896 WeakPolarHBondContact OG-CB 3.4Å; S893-S896 PolarHBondContact O-N 2.99Å; S893-S896 PolarHBondContact O-OG 2.95Å; I894-S896 PolarHBondContact O-N 2.86Å; I894-S896 VanDerWaalsContact O-N 3.1Å; S896-H899 WeakPolarHBondContact O-CB 3.07Å; S896-H899 PolarHBondContact O-N 2.8Å; S896-H899 VanDerWaalsContact O-N 3.14Å; S896-V900 WeakPolarHBondContact O-CG2 2.83Å; S896-V900 PolarHBondContact O-N 2.8Å
897I91.5Very high88.7Confident0 Ų015.5 Ų15.50%08%0.075CC..Hα-helixtrans-63.6-45.9177-60.5169.8000111F466 I661 L782 C784 I894 Q895 H899 V900 I901F466-I897 HydrophobicContact CD1-CD1 4.05Å; F466-I897 HydrophobicContact CE1-CD1 3.13Å; F466-I897 HydrophobicContact CZ-CD1 3.59Å; I661-I897 HydrophobicContact CD1-CG2 4.01Å; L782-I897 HydrophobicContact CD1-CG2 3.81Å; L782-I897 HydrophobicContact CD2-CD1 4.27Å; L782-I897 HydrophobicContact CD2-CG1 4.36Å; L782-I897 HydrophobicContact CD2-CG2 3.93Å; C784-I897 HydrophobicContact CB-CD1 3.53Å; C784-I897 HydrophobicContact CB-CG1 4.22Å; I894-I897 HydrophobicContact CB-CD1 4.12Å; I894-I897 VanDerWaalsContact O-CB 3.3Å; I894-I897 WeakPolarHBondContact O-CB 3.02Å; I894-I897 WeakPolarHBondContact O-CG1 3.37Å; I894-I897 PolarHBondContact O-N 3.27Å; Q895-I897 PolarHBondContact O-N 2.86Å; I897-H899 PolarHBondContact O-N 2.7Å; I897-V900 PolarHBondContact O-N 3.02Å; I897-V900 VanDerWaalsContact O-N 3.17Å; I897-I901 HydrophobicContact CG2-CD1 3.71Å; I897-I901 HydrophobicContact CG2-CG1 4.27Å; I897-I901 WeakPolarHBondContact O-CG1 3.38Å; I897-I901 PolarHBondContact O-N 2.92Å
898C90.9Very high88.8Confident3 Ų315.8 Ų15.82%0.028%0.077CC..Hα-helixtrans-60.5-34.4175-74.30000111.7Q895 R902Q895-C898 WeakPolarHBondContact O-CB 3.23Å; Q895-C898 PolarHBondContact O-N 3.46Å; C898-R902 WeakPolarHBondContact O-CB 3.44Å; C898-R902 WeakPolarHBondContact O-CG 3.12Å; C898-R902 PolarHBondContact O-N 2.78Å; C898-R902 VanDerWaalsContact O-N 3.15Å; C898-R902 PolarHBondContact O-NE 2.94Å
899H91.7Very high89Confident38 Ų3816.4 Ų16.418%0.1768%0.08CC..Hα-helixtrans-69.2-45.8173.7-69.4-76.4000111.9L445 I447 Q895 S896 I897 R902 H903L445-H899 HydrophobicContact CD1-CB 4.12Å; L445-H899 WeakPolarHBondContact CD1-ND1 3.39Å; I447-H899 HydrophobicContact CD1-CB 3.6Å; Q895-H899 PolarHBondContact O-CD2 3.49Å; Q895-H899 PolarHBondContact O-N 3.45Å; S896-H899 WeakPolarHBondContact O-CB 3.07Å; S896-H899 PolarHBondContact O-N 2.8Å; S896-H899 VanDerWaalsContact O-N 3.14Å; I897-H899 PolarHBondContact O-N 2.7Å; H899-R902 PolarHBondContact CE1-NH2 2.76Å; H899-R902 PolarHBondContact ND1-NH2 3.33Å; H899-R902 PolarHBondContact O-N 2.77Å; H899-H903 PolarHBondContact O-N 2.72Å; H899-H903 PolarHBondContact O-ND1 3.41Å
900V92.5Very high89.2Confident1 Ų116.5 Ų16.51%0.0068%0.081CC..Hα-helixtrans-60.9-46.7178.3171.30000111L442 I447 A458 V799 F887 S896 I897 R902 H903 G904L442-V900 HydrophobicContact CD2-CG2 4.38Å; I447-V900 HydrophobicContact CD1-CG2 4.23Å; I447-V900 HydrophobicContact CG2-CG2 4.01Å; A458-V900 HydrophobicContact CB-CG1 3.61Å; V799-V900 HydrophobicContact CG1-CG1 3.84Å; F887-V900 HydrophobicContact CD1-CG2 4.26Å; F887-V900 HydrophobicContact CD2-CG1 4.31Å; F887-V900 HydrophobicContact CE1-CG1 4.44Å; F887-V900 HydrophobicContact CE2-CG1 4.26Å; F887-V900 HydrophobicContact CG-CG1 4.46Å; F887-V900 HydrophobicContact CG-CG2 4.36Å; F887-V900 HydrophobicContact CZ-CG1 4.33Å; S896-V900 WeakPolarHBondContact O-CG2 2.83Å; S896-V900 PolarHBondContact O-N 2.8Å; I897-V900 PolarHBondContact O-N 3.02Å; I897-V900 VanDerWaalsContact O-N 3.17Å; V900-R902 PolarHBondContact O-N 3.15Å; V900-H903 PolarHBondContact O-N 3.35Å; V900-G904 PolarHBondContact O-N 2.75Å
901I92.1Very high89.5Confident0 Ų014.1 Ų14.10%07%0.071CC..Hα-helixtrans-63.9-42.6178.1-64.4171.1000110.8L782 I897 G904 R905 L967L782-I901 HydrophobicContact CD1-CD1 4.25Å; L782-I901 HydrophobicContact CD1-CG1 4.1Å; I897-I901 HydrophobicContact CG2-CD1 3.71Å; I897-I901 HydrophobicContact CG2-CG1 4.27Å; I897-I901 WeakPolarHBondContact O-CG1 3.38Å; I897-I901 PolarHBondContact O-N 2.92Å; I901-G904 PolarHBondContact O-N 3.31Å; I901-R905 HydrophobicContact CG2-CG 4.23Å; I901-R905 WeakPolarHBondContact O-CB 3.48Å; I901-R905 VanDerWaalsContact O-CG 3.3Å; I901-R905 WeakPolarHBondContact O-CG 3.47Å; I901-R905 PolarHBondContact O-N 2.76Å; I901-L967 HydrophobicContact CB-CD1 4.46Å; I901-L967 HydrophobicContact CG2-CD1 3.73Å; I901-L967 HydrophobicContact CG2-CD2 4.47Å
902R91.5Very high89.8Confident23 Ų2312.7 Ų12.79%0.0877%0.067CC..Hα-helixtrans-63.5-46.7178.6-77.2-176.7-67.6150.6-18112.5C898 H899 V900 G904 R905 C906 L964 H965 L967C898-R902 WeakPolarHBondContact O-CB 3.44Å; C898-R902 WeakPolarHBondContact O-CG 3.12Å; C898-R902 PolarHBondContact O-N 2.78Å; C898-R902 VanDerWaalsContact O-N 3.15Å; C898-R902 PolarHBondContact O-NE 2.94Å; H899-R902 PolarHBondContact CE1-NH2 2.76Å; H899-R902 PolarHBondContact ND1-NH2 3.33Å; H899-R902 PolarHBondContact O-N 2.77Å; V900-R902 PolarHBondContact O-N 3.15Å; R902-G904 VanDerWaalsContact C-N 3.33Å; R902-R905 PolarHBondContact O-N 2.71Å; R902-C906 WeakPolarHBondContact O-CB 3.44Å; R902-C906 PolarHBondContact O-N 2.97Å; R902-L964 WeakPolarHBondContact CD-O 3.15Å; R902-L964 PolarHBondContact NH1-O 3.36Å; R902-H965 VanDerWaalsContact NH1-CA 3.34Å; R902-H965 PolarHBondContact NH1-O 2.69Å; R902-L967 HydrophobicContact CG-CB 4.32Å; R902-L967 HydrophobicContact CG-CD1 3.69Å
903H92.2Very high90.1Very high12 Ų1212.1 Ų12.16%0.0566%0.062CC..Hα-helixtrans-65.2-40.2175.8-72.176.8000110.8S441 L442 L445 H899 V900 C906 T907S441-H903 WeakPolarHBondContact CB-NE2 3.42Å; L442-H903 HydrophobicContact CD1-CB 4.34Å; L442-H903 HydrophobicContact CD2-CB 4.07Å; L442-H903 HydrophobicContact CG-CB 4.17Å; L445-H903 VanDerWaalsContact CD1-CE1 3.42Å; L445-H903 WeakPolarHBondContact CD1-CE1 3.27Å; H899-H903 PolarHBondContact O-N 2.72Å; H899-H903 PolarHBondContact O-ND1 3.41Å; V900-H903 PolarHBondContact O-N 3.35Å; H903-C906 WeakPolarHBondContact O-CB 3.19Å; H903-C906 PolarHBondContact O-N 2.74Å; H903-T907 WeakPolarHBondContact O-CB 3.34Å; H903-T907 PolarHBondContact O-N 3.1Å; H903-T907 PolarHBondContact O-OG1 2.73Å
904G91.7Very high90.3Very high0 Ų011.6 Ų11.60%06%0.058CC..Hα-helixtrans-61.5-44.617600000113.6V455 G459 V900 I901 R902 L908V455-G904 WeakPolarHBondContact O-CA 3.47Å; G459-G904 VanDerWaalsContact CA-C 3.48Å; V900-G904 PolarHBondContact O-N 2.75Å; I901-G904 PolarHBondContact O-N 3.31Å; R902-G904 VanDerWaalsContact C-N 3.33Å; G904-L908 WeakPolarHBondContact O-CB 3.3Å; G904-L908 PolarHBondContact O-N 3.28Å
905R91Very high90.2Very high5 Ų512.3 Ų12.32%0.0196%0.061CC..Hα-helixtrans-63.3-42.9174.8-71.2-177.1180-169.53.4111.3S664 H666 I901 R902 V909 A968 Q970 P972 F1049S664-R905 PolarHBondContact O-NH2 3.33Å; S664-R905 VanDerWaalsContact O-NH2 3.08Å; H666-R905 PolarHBondContact NE2-NH2 3.21Å; H666-R905 VanDerWaalsContact NE2-NH2 3.17Å; I901-R905 HydrophobicContact CG2-CG 4.23Å; I901-R905 WeakPolarHBondContact O-CB 3.48Å; I901-R905 VanDerWaalsContact O-CG 3.3Å; I901-R905 WeakPolarHBondContact O-CG 3.47Å; I901-R905 PolarHBondContact O-N 2.76Å; R902-R905 PolarHBondContact O-N 2.71Å; R905-V909 WeakPolarHBondContact O-CB 3.43Å; R905-V909 WeakPolarHBondContact O-CG2 3.47Å; R905-V909 PolarHBondContact O-N 3.38Å; R905-A968 PolarHBondContact NH1-O 3.27Å; R905-Q970 PolarHBondContact NH1-O 3.27Å; R905-Q970 VanDerWaalsContact NH1-O 3.09Å; R905-P972 HydrophobicContact CB-CG 4.39Å; R905-P972 HydrophobicContact CG-CG 4.04Å; R905-F1049 HydrophobicContact CB-CD1 3.91Å; R905-F1049 HydrophobicContact CB-CG 4.47Å; R905-F1049 HydrophobicContact CG-CD1 4.44Å
906C91.1Very high90.2Very high5 Ų59.6 Ų9.63%0.0345%0.048CC..Hα-helixtrans-59.6-56.8175.1-175.40000111.1R902 H903 L908 V909 T910 P963R902-C906 WeakPolarHBondContact O-CB 3.44Å; R902-C906 PolarHBondContact O-N 2.97Å; H903-C906 WeakPolarHBondContact O-CB 3.19Å; H903-C906 PolarHBondContact O-N 2.74Å; C906-L908 VanDerWaalsContact C-N 3.3Å; C906-L908 PolarHBondContact O-N 3.29Å; C906-V909 PolarHBondContact O-N 3.49Å; C906-V909 VanDerWaalsContact O-N 3.14Å; C906-T910 WeakPolarHBondContact O-CB 3.48Å; C906-T910 PolarHBondContact O-N 2.97Å; C906-T910 PolarHBondContact O-OG1 2.71Å; C906-P963 HydrophobicContact CB-CB 3.89Å
907T90.5Very high90.4Very high6 Ų69.3 Ų9.34%0.0375%0.046CC..Hα-helixtrans-58-41.7179.9-56.40000111.7V435 S438 V455 H903 T910 T911V435-T907 HydrophobicContact CG2-CG2 4.06Å; S438-T907 VanDerWaalsContact CB-OG1 3.23Å; S438-T907 WeakPolarHBondContact CB-OG1 3.36Å; S438-T907 PolarHBondContact OG-OG1 2.95Å; V455-T907 HydrophobicContact CG1-CG2 4.35Å; H903-T907 WeakPolarHBondContact O-CB 3.34Å; H903-T907 PolarHBondContact O-N 3.1Å; H903-T907 PolarHBondContact O-OG1 2.73Å; T907-T910 PolarHBondContact O-N 3.2Å; T907-T911 HydrophobicContact CG2-CG2 4.46Å; T907-T911 WeakPolarHBondContact O-CB 3.07Å; T907-T911 VanDerWaalsContact O-CG2 3.32Å; T907-T911 WeakPolarHBondContact O-CG2 3.25Å; T907-T911 PolarHBondContact O-N 2.91Å; T907-T911 PolarHBondContact O-OG1 2.69Å
908L89.3Confident90.3Very high6 Ų69.8 Ų9.83%0.0315%0.048CC..Hα-helixtrans-61.2-47.7176.2179.762.3000111.8K460 G904 C906 T911 L912 P972K460-L908 HydrophobicContact CG-CD1 4.45Å; K460-L908 HydrophobicContact CG-CD2 3.59Å; G904-L908 WeakPolarHBondContact O-CB 3.3Å; G904-L908 PolarHBondContact O-N 3.28Å; C906-L908 VanDerWaalsContact C-N 3.3Å; C906-L908 PolarHBondContact O-N 3.29Å; L908-T911 WeakPolarHBondContact CA-OG1 3.25Å; L908-T911 PolarHBondContact O-N 3.02Å; L908-T911 PolarHBondContact O-OG1 2.92Å; L908-L912 HydrophobicContact CD1-CD1 4.13Å; L908-L912 HydrophobicContact CD1-CG 4.26Å; L908-L912 HydrophobicContact CG-CD1 4.03Å; L908-L912 WeakPolarHBondContact O-CB 3.36Å; L908-L912 VanDerWaalsContact O-CG 3.22Å; L908-L912 WeakPolarHBondContact O-CG 3.46Å; L908-L912 PolarHBondContact O-N 3.39Å; L908-P972 HydrophobicContact CD2-CB 4.27Å; L908-P972 HydrophobicContact CD2-CG 3.84Å
909V89.3Confident90.3Very high15 Ų159.6 Ų9.69%0.0915%0.048CC..Hα-helixtrans-65.5-43178.8173.90000111.2R905 C906 L912 Q913 P972 F1049 M1050R905-V909 WeakPolarHBondContact O-CB 3.43Å; R905-V909 WeakPolarHBondContact O-CG2 3.47Å; R905-V909 PolarHBondContact O-N 3.38Å; C906-V909 PolarHBondContact O-N 3.49Å; C906-V909 VanDerWaalsContact O-N 3.14Å; V909-L912 PolarHBondContact O-N 3.44Å; V909-Q913 HydrophobicContact CG1-CG 4.42Å; V909-Q913 WeakPolarHBondContact O-CB 3.38Å; V909-Q913 VanDerWaalsContact O-CG 3.27Å; V909-Q913 WeakPolarHBondContact O-CG 3.25Å; V909-Q913 PolarHBondContact O-N 3.46Å; V909-P972 HydrophobicContact CG2-CB 3.6Å; V909-F1049 HydrophobicContact CG2-CB 4.37Å; V909-F1049 HydrophobicContact CG2-CD2 3.66Å; V909-F1049 HydrophobicContact CG2-CE2 4.22Å; V909-F1049 HydrophobicContact CG2-CG 4.14Å; V909-M1050 HydrophobicContact CB-CE 4.48Å; V909-M1050 HydrophobicContact CG1-CE 3.64Å
910T90.2Very high90.3Very high4 Ų47.8 Ų7.83%0.0254%0.039CC..Hα-helixtrans-57-52.2175.4-56.20000110.5A434 C906 T907 L912 Q913 M914 I958A434-T910 HydrophobicContact CB-CG2 4.22Å; C906-T910 WeakPolarHBondContact O-CB 3.48Å; C906-T910 PolarHBondContact O-N 2.97Å; C906-T910 PolarHBondContact O-OG1 2.71Å; T907-T910 PolarHBondContact O-N 3.2Å; T910-L912 PolarHBondContact O-N 3.26Å; T910-Q913 PolarHBondContact O-N 3.47Å; T910-M914 HydrophobicContact CG2-CG 4.48Å; T910-M914 HydrophobicContact CG2-SD 3.86Å; T910-M914 WeakPolarHBondContact O-CG 3.49Å; T910-M914 PolarHBondContact O-N 3.45Å; T910-I958 HydrophobicContact CG2-CG2 3.8Å
911T86.8Confident90.3Very high12 Ų128 Ų87%0.0744%0.04CC..Hα-helixtrans-59.6-44.3178.151.20000113.1L431 A434 T907 L908 Q913 M914 F915L431-T911 HydrophobicContact CG-CG2 4.17Å; A434-T911 HydrophobicContact CB-CG2 4.15Å; T907-T911 HydrophobicContact CG2-CG2 4.46Å; T907-T911 WeakPolarHBondContact O-CB 3.07Å; T907-T911 VanDerWaalsContact O-CG2 3.32Å; T907-T911 WeakPolarHBondContact O-CG2 3.25Å; T907-T911 PolarHBondContact O-N 2.91Å; T907-T911 PolarHBondContact O-OG1 2.69Å; L908-T911 WeakPolarHBondContact CA-OG1 3.25Å; L908-T911 PolarHBondContact O-N 3.02Å; L908-T911 PolarHBondContact O-OG1 2.92Å; T911-Q913 PolarHBondContact O-N 3.02Å; T911-M914 PolarHBondContact O-N 3.31Å; T911-F915 WeakPolarHBondContact O-CD2 3.34Å; T911-F915 PolarHBondContact O-N 3.4Å
912L87.5Confident90.3Very high25 Ų258.1 Ų8.113%0.1314%0.041CC..Hα-helixtrans-62-41.3177.4-71.2171.4000112.8L908 V909 T910 F915 K916 L973 I976L908-L912 HydrophobicContact CD1-CD1 4.13Å; L908-L912 HydrophobicContact CD1-CG 4.26Å; L908-L912 HydrophobicContact CG-CD1 4.03Å; L908-L912 WeakPolarHBondContact O-CB 3.36Å; L908-L912 VanDerWaalsContact O-CG 3.22Å; L908-L912 WeakPolarHBondContact O-CG 3.46Å; L908-L912 PolarHBondContact O-N 3.39Å; V909-L912 PolarHBondContact O-N 3.44Å; T910-L912 PolarHBondContact O-N 3.26Å; L912-F915 PolarHBondContact O-N 2.78Å; L912-K916 PolarHBondContact O-N 2.96Å; L912-L973 HydrophobicContact CD1-CB 4.22Å; L912-L973 WeakPolarHBondContact CD1-O 3.49Å; L912-I976 HydrophobicContact CD2-CB 4.17Å; L912-I976 HydrophobicContact CD2-CG1 3.46Å; L912-I976 VanDerWaalsContact CD2-CG1 3.46Å
913Q88.9Confident90.3Very high12 Ų127.2 Ų7.26%0.0564%0.038CC..Hα-helixtrans-67.8-38.8176.5-70.4172.111.100111.5V909 T910 T911 K916 I917 H1045V909-Q913 HydrophobicContact CG1-CG 4.42Å; V909-Q913 WeakPolarHBondContact O-CB 3.38Å; V909-Q913 VanDerWaalsContact O-CG 3.27Å; V909-Q913 WeakPolarHBondContact O-CG 3.25Å; V909-Q913 PolarHBondContact O-N 3.46Å; T910-Q913 PolarHBondContact O-N 3.47Å; T911-Q913 PolarHBondContact O-N 3.02Å; Q913-K916 PolarHBondContact O-N 3.31Å; Q913-I917 WeakPolarHBondContact O-CD1 3.32Å; Q913-I917 VanDerWaalsContact O-CG1 3.27Å; Q913-I917 WeakPolarHBondContact O-CG1 3.24Å; Q913-I917 PolarHBondContact O-N 3.08Å; Q913-H1045 VanDerWaalsContact NE2-CB 3.28Å; Q913-H1045 VanDerWaalsContact NE2-N 3.14Å; Q913-H1045 PolarHBondContact NE2-O 2.72Å
914M89.6Confident90.2Very high5 Ų56.8 Ų6.83%0.0254%0.037CC..Hα-helixtrans-59.4-48.1174.9-68.3170.595.900110.9E430 A434 T910 T911 K916 I917 L918 F955 I958E430-M914 HydrophobicContact CB-CE 3.32Å; E430-M914 HydrophobicContact CB-SD 4.45Å; E430-M914 HydrophobicContact CG-CE 3.49Å; E430-M914 VanDerWaalsContact CG-CE 3.49Å; A434-M914 HydrophobicContact CB-SD 4.29Å; T910-M914 HydrophobicContact CG2-CG 4.48Å; T910-M914 HydrophobicContact CG2-SD 3.86Å; T910-M914 WeakPolarHBondContact O-CG 3.49Å; T910-M914 PolarHBondContact O-N 3.45Å; T911-M914 PolarHBondContact O-N 3.31Å; M914-K916 VanDerWaalsContact C-N 3.29Å; M914-K916 PolarHBondContact O-N 3.35Å; M914-I917 PolarHBondContact O-N 3.42Å; M914-L918 WeakPolarHBondContact O-CB 3.42Å; M914-L918 PolarHBondContact O-N 2.88Å; M914-F955 HydrophobicContact CB-CD1 4.4Å; M914-F955 HydrophobicContact CB-CE1 4.05Å; M914-F955 HydrophobicContact CE-CB 4.09Å; M914-F955 HydrophobicContact CE-CD1 3.61Å; M914-F955 HydrophobicContact CE-CE1 4.42Å; M914-F955 HydrophobicContact CE-CG 4.2Å; M914-F955 HydrophobicContact CG-CD1 3.95Å; M914-F955 HydrophobicContact CG-CE1 4.02Å; M914-I958 HydrophobicContact CG-CG2 4Å; M914-I958 HydrophobicContact SD-CG2 4.39Å
915F88.2Confident90.1Very high15 Ų158.8 Ų8.87%0.0665%0.046CC..Hα-helixtrans-54.5-42.8174.1-80.8-70.1000112.9T380 F383 L427 L431 T911 L912 A919 I976T380-F915 HydrophobicContact CG2-CE1 3.76Å; T380-F915 HydrophobicContact CG2-CZ 4.24Å; F383-F915 HydrophobicContact CE1-CB 4.41Å; L427-F915 HydrophobicContact CD1-CD1 3.71Å; L427-F915 HydrophobicContact CD1-CE1 3.52Å; L427-F915 HydrophobicContact CD1-CZ 4.32Å; L427-F915 HydrophobicContact CD2-CE1 4.23Å; L427-F915 HydrophobicContact CG-CE1 4.26Å; L431-F915 HydrophobicContact CD1-CE2 4.08Å; L431-F915 HydrophobicContact CD1-CZ 3.98Å; T911-F915 WeakPolarHBondContact O-CD2 3.34Å; T911-F915 PolarHBondContact O-N 3.4Å; L912-F915 PolarHBondContact O-N 2.78Å; F915-A919 VanDerWaalsContact O-CB 3.22Å; F915-A919 WeakPolarHBondContact O-CB 3.38Å; F915-A919 PolarHBondContact O-N 3.03Å; F915-I976 HydrophobicContact CB-CG2 4.35Å; F915-I976 HydrophobicContact CD1-CD1 4.46Å; F915-I976 HydrophobicContact CD2-CD1 3.7Å; F915-I976 HydrophobicContact CD2-CG1 3.99Å; F915-I976 HydrophobicContact CE1-CD1 4.3Å; F915-I976 HydrophobicContact CE2-CD1 3.58Å; F915-I976 HydrophobicContact CE2-CG1 4.31Å; F915-I976 HydrophobicContact CG-CD1 4.19Å; F915-I976 HydrophobicContact CG-CG1 4.47Å; F915-I976 HydrophobicContact CG-CG2 4.5Å; F915-I976 HydrophobicContact CZ-CD1 3.91Å
916K89.5Confident90.1Very high9 Ų98.7 Ų8.74%0.0395%0.046CC..Hα-helixtrans-66.1-47.2179.1176.8179.4167-171.40112.2L912 Q913 M914 A919 L920 T984 V985 N1043 D1116L912-K916 PolarHBondContact O-N 2.96Å; Q913-K916 PolarHBondContact O-N 3.31Å; M914-K916 VanDerWaalsContact C-N 3.29Å; M914-K916 PolarHBondContact O-N 3.35Å; K916-A919 PolarHBondContact O-N 2.66Å; K916-L920 HydrophobicContact CG-CD1 4.17Å; K916-L920 WeakPolarHBondContact O-CG 3.47Å; K916-L920 PolarHBondContact O-N 2.78Å; K916-L920 VanDerWaalsContact O-N 3.07Å; K916-T984 HydrophobicContact CD-CG2 3.75Å; K916-T984 WeakPolarHBondContact CE-OG1 3.35Å; K916-T984 HydrophobicContact CG-CG2 4.44Å; K916-T984 PolarHBondContact NZ-OG1 3.34Å; K916-T984 VanDerWaalsContact NZ-OG1 3.16Å; K916-V985 HydrophobicContact CG-CG2 3.94Å; K916-N1043 HydrophobicContact CD-CB 4.21Å; K916-N1043 WeakPolarHBondContact CE-OD1 3.25Å; K916-N1043 PolarHBondContact NZ-OD1 2.93Å; K916-D1116 IonicContact NZ-OD1 3.15Å; K916-D1116 PolarHBondContact NZ-OD1 2.73Å
917I91.8Very high90Very high0 Ų09.9 Ų9.90%05%0.05CC..Hα-helixtrans-63.4-46.1179.7-67.6162.1000110.1Q913 M914 A919 L920 N921 F955 I958 N1039 F1040 N1043Q913-I917 WeakPolarHBondContact O-CD1 3.32Å; Q913-I917 VanDerWaalsContact O-CG1 3.27Å; Q913-I917 WeakPolarHBondContact O-CG1 3.24Å; Q913-I917 PolarHBondContact O-N 3.08Å; M914-I917 PolarHBondContact O-N 3.42Å; I917-A919 PolarHBondContact O-N 3.27Å; I917-L920 PolarHBondContact O-N 2.65Å; I917-N921 WeakPolarHBondContact O-CB 3.47Å; I917-N921 PolarHBondContact O-N 2.93Å; I917-N921 PolarHBondContact O-ND2 3.34Å; I917-F955 HydrophobicContact CB-CE1 4.23Å; I917-F955 HydrophobicContact CB-CZ 4.19Å; I917-F955 HydrophobicContact CG2-CE1 4.05Å; I917-F955 HydrophobicContact CG2-CZ 3.72Å; I917-I958 HydrophobicContact CD1-CD1 3.98Å; I917-N1039 HydrophobicContact CG2-CB 4.27Å; I917-F1040 HydrophobicContact CD1-CD1 3.93Å; I917-F1040 HydrophobicContact CD1-CE1 4.44Å; I917-F1040 HydrophobicContact CG2-CD1 3.7Å; I917-F1040 HydrophobicContact CG2-CD2 4.49Å; I917-F1040 HydrophobicContact CG2-CE1 3.62Å; I917-F1040 HydrophobicContact CG2-CE2 4.38Å; I917-F1040 HydrophobicContact CG2-CG 4.17Å; I917-F1040 HydrophobicContact CG2-CZ 3.97Å; I917-N1043 HydrophobicContact CD1-CB 4.38Å; I917-N1043 HydrophobicContact CG1-CB 3.84Å
918L90.2Very high90Very high9 Ų99.6 Ų9.65%0.0475%0.048CC..Hα-helixtrans-63.6-40.9-179.9-177.8152.8000111.6P424 L427 E430 M914 N921 A922 F955P424-L918 HydrophobicContact CB-CG 4.46Å; P424-L918 HydrophobicContact CG-CD1 3.69Å; P424-L918 HydrophobicContact CG-CD2 3.09Å; P424-L918 HydrophobicContact CG-CG 3.29Å; L427-L918 HydrophobicContact CB-CD1 3.84Å; L427-L918 HydrophobicContact CD1-CD1 3.48Å; L427-L918 VanDerWaalsContact CD1-CD1 3.48Å; L427-L918 HydrophobicContact CD1-CD2 4.03Å; L427-L918 HydrophobicContact CD1-CG 4.34Å; L427-L918 HydrophobicContact CG-CD1 4.29Å; E430-L918 WeakPolarHBondContact OE2-CD1 3.28Å; M914-L918 WeakPolarHBondContact O-CB 3.42Å; M914-L918 PolarHBondContact O-N 2.88Å; L918-N921 PolarHBondContact O-N 2.93Å; L918-A922 VanDerWaalsContact O-CB 3.28Å; L918-A922 WeakPolarHBondContact O-CB 3.26Å; L918-A922 PolarHBondContact O-N 3.2Å; L918-F955 HydrophobicContact CB-CZ 4.09Å
919A90.5Very high89.9Confident0 Ų010.2 Ų10.20%05%0.051CC..Hα-helixtrans-61.3-45.8173.200000113.1F383 L387 F915 K916 I917 A922 L923 V985F383-A919 HydrophobicContact CE1-CB 3.73Å; F383-A919 HydrophobicContact CZ-CB 3.46Å; F383-A919 VanDerWaalsContact CZ-CB 3.46Å; L387-A919 HydrophobicContact CD1-CB 3.61Å; L387-A919 HydrophobicContact CD2-CB 3.89Å; L387-A919 HydrophobicContact CG-CB 4.37Å; F915-A919 VanDerWaalsContact O-CB 3.22Å; F915-A919 WeakPolarHBondContact O-CB 3.38Å; F915-A919 PolarHBondContact O-N 3.03Å; K916-A919 PolarHBondContact O-N 2.66Å; I917-A919 PolarHBondContact O-N 3.27Å; A919-A922 PolarHBondContact O-N 2.82Å; A919-L923 VanDerWaalsContact O-CG 3.32Å; A919-L923 WeakPolarHBondContact O-CG 3.41Å; A919-L923 PolarHBondContact O-N 3.48Å; A919-V985 HydrophobicContact CB-CG1 4.42Å
920L93Very high89.8Confident0 Ų09.5 Ų9.50%05%0.047CC..Hα-helixtrans-63.9-43.8177.6-74.1162.4000111.5K916 I917 A922 L923 V924 V985 Q988 F989 N1043K916-L920 HydrophobicContact CG-CD1 4.17Å; K916-L920 WeakPolarHBondContact O-CG 3.47Å; K916-L920 PolarHBondContact O-N 2.78Å; K916-L920 VanDerWaalsContact O-N 3.07Å; I917-L920 PolarHBondContact O-N 2.65Å; L920-A922 VanDerWaalsContact C-N 3.35Å; L920-A922 PolarHBondContact O-N 2.85Å; L920-L923 PolarHBondContact O-N 3.03Å; L920-V924 VanDerWaalsContact O-CG2 3.3Å; L920-V924 WeakPolarHBondContact O-CG2 2.96Å; L920-V924 PolarHBondContact O-N 3.15Å; L920-V985 HydrophobicContact CD2-CG1 4.23Å; L920-V985 WeakPolarHBondContact CD2-O 3.16Å; L920-V985 HydrophobicContact CG-CG1 4.46Å; L920-V985 HydrophobicContact CG-CG2 4.46Å; L920-Q988 HydrophobicContact CD1-CB 4.45Å; L920-Q988 HydrophobicContact CD2-CB 3.82Å; L920-F989 HydrophobicContact CD2-CB 4.22Å; L920-N1043 WeakPolarHBondContact CD1-ND2 3.45Å
921N92.4Very high89.5Confident4 Ų49.8 Ų9.82%0.0215%0.048CC..Hα-helixtrans-62.3-42.8176.8-70.6-13.8000111.5I917 L918 V924 Q925 L951 Q1036 N1039I917-N921 WeakPolarHBondContact O-CB 3.47Å; I917-N921 PolarHBondContact O-N 2.93Å; I917-N921 PolarHBondContact O-ND2 3.34Å; L918-N921 PolarHBondContact O-N 2.93Å; N921-V924 PolarHBondContact O-N 3.37Å; N921-Q925 VanDerWaalsContact O-CB 3.28Å; N921-Q925 WeakPolarHBondContact O-CB 3.36Å; N921-Q925 PolarHBondContact O-N 3.38Å; N921-L951 HydrophobicContact CB-CD1 4.3Å; N921-L951 WeakPolarHBondContact ND2-CD1 2.72Å; N921-Q1036 HydrophobicContact CB-CG 4.4Å; N921-Q1036 WeakPolarHBondContact OD1-CA 3.5Å; N921-Q1036 WeakPolarHBondContact OD1-CG 3.5Å; N921-N1039 PolarHBondContact OD1-ND2 3.14Å
922A90.6Very high89.4Confident4 Ų49.4 Ų9.43%0.0335%0.046CC..Hα-helixtrans-63-42.2177.400000112.1L918 A919 L920 Q925 A926L918-A922 VanDerWaalsContact O-CB 3.28Å; L918-A922 WeakPolarHBondContact O-CB 3.26Å; L918-A922 PolarHBondContact O-N 3.2Å; A919-A922 PolarHBondContact O-N 2.82Å; L920-A922 VanDerWaalsContact C-N 3.35Å; L920-A922 PolarHBondContact O-N 2.85Å; A922-Q925 PolarHBondContact O-N 3.16Å; A922-A926 WeakPolarHBondContact O-CB 3.46Å; A922-A926 PolarHBondContact O-N 2.6Å
923L91.4Very high89.2Confident4 Ų48.5 Ų8.52%0.0214%0.04CC..Hα-helixtrans-67-42176.7-68.9175.7000112.7L387 F390 A919 L920 Q925 Y927 V985 F989L387-L923 HydrophobicContact CD2-CD1 3.87Å; L387-L923 HydrophobicContact CD2-CD2 4.26Å; L387-L923 HydrophobicContact CD2-CG 4.07Å; F390-L923 HydrophobicContact CB-CD2 3.5Å; F390-L923 VanDerWaalsContact CB-CD2 3.5Å; F390-L923 HydrophobicContact CD2-CD2 4.36Å; F390-L923 HydrophobicContact CG-CD2 4.08Å; A919-L923 VanDerWaalsContact O-CG 3.32Å; A919-L923 WeakPolarHBondContact O-CG 3.41Å; A919-L923 PolarHBondContact O-N 3.48Å; L920-L923 PolarHBondContact O-N 3.03Å; L923-Q925 VanDerWaalsContact C-N 3.31Å; L923-Y927 PolarHBondContact O-N 3.11Å; L923-Y927 VanDerWaalsContact O-N 3.08Å; L923-V985 HydrophobicContact CD1-CG1 3.97Å; L923-F989 HydrophobicContact CB-CD2 3.51Å; L923-F989 HydrophobicContact CB-CE2 3.6Å; L923-F989 HydrophobicContact CB-CG 4.15Å; L923-F989 HydrophobicContact CB-CZ 4.31Å; L923-F989 HydrophobicContact CD1-CB 4.12Å; L923-F989 HydrophobicContact CD1-CD1 4.3Å; L923-F989 HydrophobicContact CD1-CD2 4.13Å; L923-F989 HydrophobicContact CD1-CG 3.9Å; L923-F989 HydrophobicContact CG-CD2 4.43Å
924V91.1Very high88.7Confident3 Ų38.5 Ų8.52%0.0184%0.041CC..Hα-helixtrans-61.9-42.8174.5170.10000110.3L920 N921 Y927 S928 H992 L1035L920-V924 VanDerWaalsContact O-CG2 3.3Å; L920-V924 WeakPolarHBondContact O-CG2 2.96Å; L920-V924 PolarHBondContact O-N 3.15Å; N921-V924 PolarHBondContact O-N 3.37Å; V924-Y927 PolarHBondContact O-N 3.35Å; V924-S928 VanDerWaalsContact O-CB 3.3Å; V924-S928 WeakPolarHBondContact O-CB 3.34Å; V924-S928 PolarHBondContact O-N 2.9Å; V924-S928 PolarHBondContact O-OG 3.09Å; V924-H992 HydrophobicContact CG2-CB 4.11Å; V924-L1035 HydrophobicContact CG1-CB 4.15Å; V924-L1035 HydrophobicContact CG1-CD1 3.66Å; V924-L1035 HydrophobicContact CG2-CD1 4.17Å
925Q89.6Confident88.2Confident42 Ų429.9 Ų9.920%0.1965%0.049CC..Hα-helixtrans-63.5-51.2177.9-175.3167.6-0.700111.6N921 A922 L923 Y927 S928 Q929N921-Q925 VanDerWaalsContact O-CB 3.28Å; N921-Q925 WeakPolarHBondContact O-CB 3.36Å; N921-Q925 PolarHBondContact O-N 3.38Å; A922-Q925 PolarHBondContact O-N 3.16Å; L923-Q925 VanDerWaalsContact C-N 3.31Å; Q925-Y927 VanDerWaalsContact C-N 3.28Å; Q925-Y927 PolarHBondContact O-N 2.96Å; Q925-S928 WeakPolarHBondContact CA-OG 3.43Å; Q925-S928 PolarHBondContact O-N 3.36Å; Q925-S928 VanDerWaalsContact O-N 3.13Å; Q925-S928 PolarHBondContact O-OG 3.01Å; Q925-Q929 WeakPolarHBondContact O-CG 3.34Å; Q925-Q929 PolarHBondContact O-N 3.27Å
926A89.7Confident87.6Confident2 Ų29.8 Ų9.82%0.0175%0.052CC..Hα-helixtrans-54.3-44.1177.900000112.1I418 A922 S930I418-A926 HydrophobicContact CG2-CB 4.19Å; A922-A926 WeakPolarHBondContact O-CB 3.46Å; A922-A926 PolarHBondContact O-N 2.6Å; A926-S930 PolarHBondContact O-N 3.28Å; A926-S930 VanDerWaalsContact O-N 3.11Å
927Y89.9Confident87.1Confident30 Ų3010 Ų1012%0.1185%0.053CC..Hα-helixtrans-71.8-42.4177.3-180-111.2000112.5L923 V924 Q925 Q929 S930 V931 F993 L996 V997L923-Y927 PolarHBondContact O-N 3.11Å; L923-Y927 VanDerWaalsContact O-N 3.08Å; V924-Y927 PolarHBondContact O-N 3.35Å; Q925-Y927 VanDerWaalsContact C-N 3.28Å; Q925-Y927 PolarHBondContact O-N 2.96Å; Y927-Q929 VanDerWaalsContact C-N 3.29Å; Y927-Q929 PolarHBondContact O-N 2.85Å; Y927-S930 WeakPolarHBondContact CA-OG 3.44Å; Y927-S930 WeakPolarHBondContact CD2-OG 3.4Å; Y927-S930 PolarHBondContact O-N 2.96Å; Y927-S930 VanDerWaalsContact O-N 3.12Å; Y927-S930 PolarHBondContact O-OG 3.13Å; Y927-V931 HydrophobicContact CD1-CG2 4.32Å; Y927-V931 HydrophobicContact CD2-CG2 4.22Å; Y927-V931 HydrophobicContact CE1-CG2 3.71Å; Y927-V931 HydrophobicContact CE2-CG2 3.59Å; Y927-V931 PolarHBondContact O-N 3.46Å; Y927-V931 WeakPolarHBondContact OH-CG2 3.45Å; Y927-F993 AromaticContact CD1-CD2 3.9Å; Y927-F993 HydrophobicContact CD1-CD2 3.9Å; Y927-F993 HydrophobicContact CD1-CE2 4.26Å; Y927-F993 AromaticContact CD2-CD2 3.9Å; Y927-F993 HydrophobicContact CD2-CD2 3.9Å; Y927-F993 AromaticContact CD2-CE2 3.52Å; Y927-F993 HydrophobicContact CD2-CE2 3.52Å; Y927-F993 AromaticContact CE1-CD2 3.94Å; Y927-F993 HydrophobicContact CE1-CD2 3.94Å; Y927-F993 HydrophobicContact CE1-CE2 4.07Å; Y927-F993 AromaticContact CE2-CD2 3.93Å; Y927-F993 HydrophobicContact CE2-CD2 3.93Å; Y927-F993 AromaticContact CE2-CE2 3.28Å; Y927-F993 HydrophobicContact CE2-CE2 3.28Å; Y927-F993 HydrophobicContact CE2-CZ 4.12Å; Y927-F993 AromaticContact CG-CD2 3.89Å; Y927-F993 HydrophobicContact CG-CD2 3.89Å; Y927-F993 HydrophobicContact CG-CE2 4.02Å; Y927-F993 AromaticContact CZ-CD2 3.96Å; Y927-F993 AromaticContact CZ-CE2 3.59Å; Y927-L996 HydrophobicContact CD1-CB 4.45Å; Y927-L996 HydrophobicContact CD1-CD2 3.42Å; Y927-L996 VanDerWaalsContact CD1-CD2 3.42Å; Y927-L996 HydrophobicContact CD1-CG 4.09Å; Y927-L996 HydrophobicContact CE1-CB 4.09Å; Y927-L996 HydrophobicContact CE1-CD2 3.68Å; Y927-L996 HydrophobicContact CE1-CG 3.81Å; Y927-V997 HydrophobicContact CE1-CG2 4.16Å; Y927-V997 WeakPolarHBondContact OH-CG2 3.41Å
928S90.2Very high86.5Confident0 Ų012.3 Ų12.30%06%0.063CC..Hα-helixtrans-59.5-39.8177.669.80000112.5V924 Q925 V931 L932V924-S928 VanDerWaalsContact O-CB 3.3Å; V924-S928 WeakPolarHBondContact O-CB 3.34Å; V924-S928 PolarHBondContact O-N 2.9Å; V924-S928 PolarHBondContact O-OG 3.09Å; Q925-S928 WeakPolarHBondContact CA-OG 3.43Å; Q925-S928 PolarHBondContact O-N 3.36Å; Q925-S928 VanDerWaalsContact O-N 3.13Å; Q925-S928 PolarHBondContact O-OG 3.01Å; S928-V931 PolarHBondContact O-N 2.73Å; S928-L932 WeakPolarHBondContact O-CG 3.47Å; S928-L932 PolarHBondContact O-N 3.36Å; S928-L932 VanDerWaalsContact O-N 3.16Å
929Q86.7Confident86.2Confident20 Ų2013 Ų139%0.0937%0.066CC..Hα-helixtrans-63.1-46.8173-72.5178.1-4800111.1I418 Q925 Y927 V931 L932 Y933 F939I418-Q929 HydrophobicContact CG1-CB 4.34Å; Q925-Q929 WeakPolarHBondContact O-CG 3.34Å; Q925-Q929 PolarHBondContact O-N 3.27Å; Y927-Q929 VanDerWaalsContact C-N 3.29Å; Y927-Q929 PolarHBondContact O-N 2.85Å; Q929-V931 VanDerWaalsContact C-N 3.31Å; Q929-V931 PolarHBondContact O-N 3.21Å; Q929-L932 PolarHBondContact O-N 3.08Å; Q929-Y933 VanDerWaalsContact O-CB 3.32Å; Q929-Y933 WeakPolarHBondContact O-CB 3.41Å; Q929-Y933 PolarHBondContact O-N 3.32Å; Q929-F939 HydrophobicContact CG-CE2 4.31Å
930S87.4Confident85.9Confident0 Ų013.3 Ų13.30%07%0.068CC..Hα-helixtrans-58-40.517976.50000113.3A926 Y927 L934A926-S930 PolarHBondContact O-N 3.28Å; A926-S930 VanDerWaalsContact O-N 3.11Å; Y927-S930 WeakPolarHBondContact CA-OG 3.44Å; Y927-S930 WeakPolarHBondContact CD2-OG 3.4Å; Y927-S930 PolarHBondContact O-N 2.96Å; Y927-S930 VanDerWaalsContact O-N 3.12Å; Y927-S930 PolarHBondContact O-OG 3.13Å; S930-L934 VanDerWaalsContact O-CG 3.26Å; S930-L934 WeakPolarHBondContact O-CG 3.31Å; S930-L934 PolarHBondContact O-N 3.12Å
931V85.5Confident85.4Confident10 Ų1014.5 Ų14.56%0.0618%0.075CC..Hα-helixtrans-70.1-49.9179.9172.10000111.2Y927 S928 Q929 Y933 L934 D935 V1000Y927-V931 HydrophobicContact CD1-CG2 4.32Å; Y927-V931 HydrophobicContact CD2-CG2 4.22Å; Y927-V931 HydrophobicContact CE1-CG2 3.71Å; Y927-V931 HydrophobicContact CE2-CG2 3.59Å; Y927-V931 PolarHBondContact O-N 3.46Å; Y927-V931 WeakPolarHBondContact OH-CG2 3.45Å; S928-V931 PolarHBondContact O-N 2.73Å; Q929-V931 VanDerWaalsContact C-N 3.31Å; Q929-V931 PolarHBondContact O-N 3.21Å; V931-Y933 VanDerWaalsContact C-N 3.29Å; V931-Y933 PolarHBondContact O-N 2.8Å; V931-L934 PolarHBondContact O-N 3.33Å; V931-D935 PolarHBondContact O-N 3.1Å; V931-V1000 HydrophobicContact CG1-CB 4.32Å; V931-V1000 HydrophobicContact CG1-CG1 3.59Å; V931-V1000 HydrophobicContact CG1-CG2 3.83Å
932L84.6Confident85.1Confident3 Ų316.8 Ų16.82%0.0169%0.089CC..Hα-helixtrans-61.1-42.2-178.5-69.5173.8000111.1S928 Q929 L934 D935 G936 I937 F939 V1024 V1028S928-L932 WeakPolarHBondContact O-CG 3.47Å; S928-L932 PolarHBondContact O-N 3.36Å; S928-L932 VanDerWaalsContact O-N 3.16Å; Q929-L932 PolarHBondContact O-N 3.08Å; L932-L934 VanDerWaalsContact C-N 3.33Å; L932-L934 PolarHBondContact O-N 3.49Å; L932-D935 CarbonylContact O-C 3.38Å; L932-D935 PolarHBondContact O-N 2.97Å; L932-D935 VanDerWaalsContact O-N 3.09Å; L932-G936 PolarHBondContact O-N 3.09Å; L932-I937 CarbonylContact C-O 3.49Å; L932-I937 HydrophobicContact CB-CB 4.44Å; L932-I937 WeakPolarHBondContact CB-O 3.24Å; L932-I937 HydrophobicContact CD2-CB 4.28Å; L932-I937 HydrophobicContact CD2-CG2 3.99Å; L932-I937 PolarHBondContact O-N 3.13Å; L932-F939 HydrophobicContact CD1-CD1 3.79Å; L932-F939 HydrophobicContact CD1-CD2 3.85Å; L932-F939 HydrophobicContact CD1-CE1 3.48Å; L932-F939 VanDerWaalsContact CD1-CE1 3.48Å; L932-F939 HydrophobicContact CD1-CE2 3.55Å; L932-F939 HydrophobicContact CD1-CG 3.97Å; L932-F939 HydrophobicContact CD1-CZ 3.36Å; L932-V1024 HydrophobicContact CD2-CG1 4.27Å; L932-V1028 HydrophobicContact CD1-CB 4.48Å; L932-V1028 HydrophobicContact CD1-CG1 3.96Å; L932-V1028 HydrophobicContact CD2-CB 4.07Å; L932-V1028 HydrophobicContact CD2-CG1 4.29Å; L932-V1028 HydrophobicContact CD2-CG2 4.05Å; L932-V1028 HydrophobicContact CG-CB 4.4Å; L932-V1028 HydrophobicContact CG-CG1 4.06Å
933Y81.9Confident85Confident6 Ų616.6 Ų16.62%0.0249%0.087CC..Hα-helixtrans-63.8-36.9178.6-175.3-92.1000113.1V398 R406 L411 E414 Q929 V931 D935 G936 I937 I1015V398-Y933 HydrophobicContact CG1-CD1 3.51Å; V398-Y933 HydrophobicContact CG1-CE1 3.74Å; R406-Y933 PolarHBondContact NH1-O 2.82Å; L411-Y933 VanDerWaalsContact CA-OH 3.28Å; L411-Y933 WeakPolarHBondContact CA-OH 3.15Å; L411-Y933 HydrophobicContact CD1-CE1 3.77Å; L411-Y933 PolarHBondContact N-OH 3.06Å; E414-Y933 HydrophobicContact CB-CD2 3.87Å; E414-Y933 HydrophobicContact CB-CE1 4.38Å; E414-Y933 HydrophobicContact CB-CE2 3.68Å; E414-Y933 HydrophobicContact CB-CG 4.29Å; E414-Y933 HydrophobicContact CG-CD1 4Å; E414-Y933 HydrophobicContact CG-CD2 3.45Å; E414-Y933 VanDerWaalsContact CG-CD2 3.45Å; E414-Y933 HydrophobicContact CG-CE1 4.34Å; E414-Y933 HydrophobicContact CG-CE2 3.83Å; E414-Y933 HydrophobicContact CG-CG 3.54Å; Q929-Y933 VanDerWaalsContact O-CB 3.32Å; Q929-Y933 WeakPolarHBondContact O-CB 3.41Å; Q929-Y933 PolarHBondContact O-N 3.32Å; V931-Y933 VanDerWaalsContact C-N 3.29Å; V931-Y933 PolarHBondContact O-N 2.8Å; Y933-D935 PolarHBondContact O-N 3.23Å; Y933-G936 PolarHBondContact O-N 2.66Å; Y933-I937 PolarHBondContact N-O 3.21Å; Y933-I1015 HydrophobicContact CE2-CD1 4.39Å
934L79.7Confident84.8Confident12 Ų1217.3 Ų17.36%0.0639%0.093CC..Hα-helixtrans-61.5-29.7175.2-75.3175.7000112.6Y397 V398 K401 R406 S930 V931 L932 G936Y397-L934 HydrophobicContact CD1-CD1 3.88Å; Y397-L934 HydrophobicContact CE1-CD1 3.19Å; V398-L934 HydrophobicContact CG2-CG 4.44Å; K401-L934 HydrophobicContact CB-CD2 3.81Å; K401-L934 HydrophobicContact CD-CD1 4.1Å; K401-L934 HydrophobicContact CD-CD2 3.77Å; K401-L934 HydrophobicContact CD-CG 4.48Å; K401-L934 HydrophobicContact CG-CD2 4.04Å; R406-L934 PolarHBondContact NH2-O 2.7Å; S930-L934 VanDerWaalsContact O-CG 3.26Å; S930-L934 WeakPolarHBondContact O-CG 3.31Å; S930-L934 PolarHBondContact O-N 3.12Å; V931-L934 PolarHBondContact O-N 3.33Å; L932-L934 VanDerWaalsContact C-N 3.33Å; L932-L934 PolarHBondContact O-N 3.49Å; L934-G936 VanDerWaalsContact C-N 3.34Å
935D78.1Confident84.5Confident35 Ų3518.8 Ų18.819%0.18710%0.103CC..THydrogen-bonded Turntrans-890.1176.3-62.1-30.3000113.5V931 L932 Y933 I937 H1004V931-D935 PolarHBondContact O-N 3.1Å; L932-D935 CarbonylContact O-C 3.38Å; L932-D935 PolarHBondContact O-N 2.97Å; L932-D935 VanDerWaalsContact O-N 3.09Å; Y933-D935 PolarHBondContact O-N 3.23Å; D935-I937 VanDerWaalsContact C-N 3.27Å; D935-I937 HydrophobicContact CB-CD1 3.86Å; D935-I937 HydrophobicContact CB-CG1 4.04Å; D935-H1004 IonicContact OD1-CE1 3.66Å; D935-H1004 PolarHBondContact OD1-CE1 2.56Å; D935-H1004 VanDerWaalsContact OD1-CE1 3.31Å; D935-H1004 IonicContact OD1-NE2 2.96Å; D935-H1004 IonicContact OD2-CE1 3.26Å; D935-H1004 PolarHBondContact OD2-CE1 3.23Å; D935-H1004 IonicContact OD2-NE2 3.24Å; D935-H1004 PolarHBondContact OD2-NE2 3.48Å
936G75.6Confident84.5Confident13 Ų1319.5 Ų19.513%0.13411%0.11CC..THydrogen-bonded Turntrans72.121-175.100000113.7L932 Y933 L934L932-G936 PolarHBondContact O-N 3.09Å; Y933-G936 PolarHBondContact O-N 2.66Å; L934-G936 VanDerWaalsContact C-N 3.34Å
937I79.3Confident84.3Confident14 Ų1420 Ų207%0.07211%0.112CC..  trans-106.6147.2-178.6-56.8172.1000108.5L932 Y933 D935 N1022 V1024 N1025L932-I937 CarbonylContact C-O 3.49Å; L932-I937 HydrophobicContact CB-CB 4.44Å; L932-I937 WeakPolarHBondContact CB-O 3.24Å; L932-I937 HydrophobicContact CD2-CB 4.28Å; L932-I937 HydrophobicContact CD2-CG2 3.99Å; L932-I937 PolarHBondContact O-N 3.13Å; Y933-I937 PolarHBondContact N-O 3.21Å; D935-I937 VanDerWaalsContact C-N 3.27Å; D935-I937 HydrophobicContact CB-CD1 3.86Å; D935-I937 HydrophobicContact CB-CG1 4.04Å; I937-N1022 HydrophobicContact CD1-CB 4.03Å; I937-N1022 WeakPolarHBondContact CD1-ND2 2.93Å; I937-V1024 HydrophobicContact CD1-CB 4.12Å; I937-N1025 HydrophobicContact CG2-CB 3.81Å
938K79.9Confident84.1Confident48 Ų4819.1 Ų19.121%0.20911%0.112CC..  trans-124.8159.6173.8-63.8-173173-161.40110.5D210 F1019D210-K938 IonicContact OD1-NZ 3.31Å; D210-K938 PolarHBondContact OD1-NZ 3.18Å; D210-K938 IonicContact OD2-NZ 2.73Å; D210-K938 PolarHBondContact OD2-NZ 3.26Å; K938-F1019 VanDerWaalsContact O-CD2 3.26Å; K938-F1019 WeakPolarHBondContact O-CD2 3.28Å; K938-F1019 WeakPolarHBondContact O-CE2 3.47Å
939F83.2Confident83.9Confident22 Ų2223.7 Ų23.710%0.09614%0.136CC..  trans-67148.7164.4-72.7-62.4000110.2F212 Q929 L932 V1028 Y1029F212-F939 WeakPolarHBondContact CE1-O 3.42Å; Q929-F939 HydrophobicContact CG-CE2 4.31Å; L932-F939 HydrophobicContact CD1-CD1 3.79Å; L932-F939 HydrophobicContact CD1-CD2 3.85Å; L932-F939 HydrophobicContact CD1-CE1 3.48Å; L932-F939 VanDerWaalsContact CD1-CE1 3.48Å; L932-F939 HydrophobicContact CD1-CE2 3.55Å; L932-F939 HydrophobicContact CD1-CG 3.97Å; L932-F939 HydrophobicContact CD1-CZ 3.36Å; F939-V1028 HydrophobicContact CE1-CG1 4.29Å; F939-V1028 HydrophobicContact CZ-CG1 3.96Å; F939-Y1029 HydrophobicContact CD1-CD2 4.32Å; F939-Y1029 HydrophobicContact CE1-CD2 4.25Å
940S83.5Confident83.9Confident8 Ų824.4 Ų24.46%0.05614%0.14CC..  trans-72.5151.4167.5174.50000111.1T942 Q943 A944 E1086S940-T942 PolarHBondContact O-N 3.05Å; S940-T942 PolarHBondContact OG-N 2.66Å; S940-T942 PolarHBondContact OG-OG1 2.86Å; S940-T942 VanDerWaalsContact OG-OG1 3.04Å; S940-Q943 WeakPolarHBondContact O-CB 3.3Å; S940-Q943 PolarHBondContact O-N 2.87Å; S940-Q943 VanDerWaalsContact O-N 3.16Å; S940-A944 PolarHBondContact O-N 2.76Å; S940-E1086 WeakPolarHBondContact CB-OE2 3.47Å; S940-E1086 PolarHBondContact OG-OE2 3.35Å
941D84.2Confident83.9Confident25 Ų2525.2 Ų25.213%0.13414%0.144CC..Hα-helixtrans-59.6-35173.7-159.14.5000111.6F212 W213 Y214 Y215 T945F212-D941 HydrophobicContact CD1-CB 4.37Å; W213-D941 PolarHBondContact N-OD2 2.89Å; Y214-D941 VanDerWaalsContact CB-OD2 3.25Å; Y214-D941 WeakPolarHBondContact CB-OD2 3.24Å; Y214-D941 WeakPolarHBondContact CD2-OD2 3.26Å; Y214-D941 PolarHBondContact N-OD2 2.95Å; Y215-D941 WeakPolarHBondContact CB-OD1 3.46Å; Y215-D941 PolarHBondContact N-OD1 3.07Å; D941-T945 VanDerWaalsContact O-CB 3.31Å; D941-T945 WeakPolarHBondContact O-CB 3.28Å; D941-T945 PolarHBondContact O-N 3.28Å; D941-T945 PolarHBondContact O-OG1 3.13Å
942T85.8Confident83.9Confident52 Ų5226.7 Ų26.732%0.31915%0.153SC..Hα-helixtrans-67.8-41.4175.661.10000111.8S940 T945 V946S940-T942 PolarHBondContact O-N 3.05Å; S940-T942 PolarHBondContact OG-N 2.66Å; S940-T942 PolarHBondContact OG-OG1 2.86Å; S940-T942 VanDerWaalsContact OG-OG1 3.04Å; T942-T945 PolarHBondContact O-N 3.41Å; T942-V946 WeakPolarHBondContact O-CG2 3.37Å; T942-V946 PolarHBondContact O-N 2.85Å
943Q88.5Confident84Confident0 Ų028.1 Ų28.10%017%0.165CC..Hα-helixtrans-62.8-49.3177.5-72.9171.3-300110.9S940 T945 V946 Q947 N1025 Y1029 F1085 E1086S940-Q943 WeakPolarHBondContact O-CB 3.3Å; S940-Q943 PolarHBondContact O-N 2.87Å; S940-Q943 VanDerWaalsContact O-N 3.16Å; Q943-T945 VanDerWaalsContact C-N 3.35Å; Q943-T945 PolarHBondContact O-N 2.98Å; Q943-V946 PolarHBondContact O-N 3.25Å; Q943-Q947 VanDerWaalsContact O-CB 3.3Å; Q943-Q947 WeakPolarHBondContact O-CB 3.32Å; Q943-Q947 PolarHBondContact O-N 2.97Å; Q943-N1025 PolarHBondContact NE2-ND2 3.42Å; Q943-N1025 PolarHBondContact OE1-ND2 2.81Å; Q943-N1025 VanDerWaalsContact OE1-ND2 3.11Å; Q943-Y1029 HydrophobicContact CB-CD2 3.77Å; Q943-Y1029 HydrophobicContact CB-CE2 3.48Å; Q943-Y1029 VanDerWaalsContact CB-CE2 3.48Å; Q943-Y1029 HydrophobicContact CG-CD2 4.03Å; Q943-Y1029 HydrophobicContact CG-CE1 4.35Å; Q943-Y1029 HydrophobicContact CG-CE2 3.88Å; Q943-Y1029 HydrophobicContact CG-CG 4.34Å; Q943-F1085 WeakPolarHBondContact CG-O 3.39Å; Q943-F1085 PolarHBondContact NE2-O 2.94Å; Q943-E1086 PolarHBondContact NE2-O 2.76Å
944A85.9Confident84.4Confident18 Ų1827.9 Ų27.915%0.14916%0.164CC..Hα-helixtrans-60.7-42.8176.800000112Y215 S940 Q947 G948Y215-A944 HydrophobicContact CD2-CB 4.3Å; Y215-A944 HydrophobicContact CG-CB 4.24Å; S940-A944 PolarHBondContact O-N 2.76Å; A944-Q947 PolarHBondContact O-N 3.35Å; A944-G948 PolarHBondContact O-N 3.29Å
945T86.4Confident84.8Confident35 Ų3527.5 Ų27.522%0.21516%0.162CC..Hα-helixtrans-64.8-44.7179.1-59.50000112.6D941 T942 Q943 G948 L949D941-T945 VanDerWaalsContact O-CB 3.31Å; D941-T945 WeakPolarHBondContact O-CB 3.28Å; D941-T945 PolarHBondContact O-N 3.28Å; D941-T945 PolarHBondContact O-OG1 3.13Å; T942-T945 PolarHBondContact O-N 3.41Å; Q943-T945 VanDerWaalsContact C-N 3.35Å; Q943-T945 PolarHBondContact O-N 2.98Å; T945-G948 PolarHBondContact O-N 3.04Å; T945-L949 WeakPolarHBondContact O-CB 3.3Å; T945-L949 PolarHBondContact O-N 3.07Å
946V87.5Confident85.2Confident56 Ų5629.8 Ų29.834%0.33917%0.171SC..Hα-helixtrans-64.4-44.6178.3170.20000110.7T942 Q943 L949 L950 F1085T942-V946 WeakPolarHBondContact O-CG2 3.37Å; T942-V946 PolarHBondContact O-N 2.85Å; Q943-V946 PolarHBondContact O-N 3.25Å; V946-L949 PolarHBondContact O-N 2.67Å; V946-L950 WeakPolarHBondContact O-CB 3.24Å; V946-L950 PolarHBondContact O-N 3.31Å; V946-F1085 HydrophobicContact CB-CE1 4.26Å; V946-F1085 HydrophobicContact CG1-CE1 3.78Å; V946-F1085 HydrophobicContact CG2-CD1 4.22Å; V946-F1085 HydrophobicContact CG2-CE1 3.76Å
947Q87Confident85.8Confident14 Ų1431.9 Ų31.97%0.06518%0.176CC..Hα-helixtrans-60.5-46.4177.4-173.9-173.9-49.200111.3Q943 A944 L950 L951Q943-Q947 VanDerWaalsContact O-CB 3.3Å; Q943-Q947 WeakPolarHBondContact O-CB 3.32Å; Q943-Q947 PolarHBondContact O-N 2.97Å; A944-Q947 PolarHBondContact O-N 3.35Å; Q947-L950 PolarHBondContact O-N 3.41Å; Q947-L951 WeakPolarHBondContact O-CB 3.33Å; Q947-L951 PolarHBondContact O-N 3.27Å
948G85.1Confident86.3Confident11 Ų1131.2 Ų31.211%0.11317%0.173CC..Hα-helixtrans-60.9-45.3175.500000112.6A944 T945 L950 L951 V952A944-G948 PolarHBondContact O-N 3.29Å; T945-G948 PolarHBondContact O-N 3.04Å; G948-L950 PolarHBondContact O-N 3.43Å; G948-L951 PolarHBondContact O-N 3.02Å; G948-V952 WeakPolarHBondContact O-CG2 3.47Å; G948-V952 PolarHBondContact O-N 2.94Å
949L85.6Confident86.5Confident96 Ų9629.3 Ų29.350%0.50317%0.165SC..Hα-helixtrans-63.6-40.3178-17665.1000112.4F218 T945 V946 L951 V952 A953F218-L949 HydrophobicContact CZ-CD1 4.02Å; T945-L949 WeakPolarHBondContact O-CB 3.3Å; T945-L949 PolarHBondContact O-N 3.07Å; V946-L949 PolarHBondContact O-N 2.67Å; L949-L951 VanDerWaalsContact C-N 3.34Å; L949-V952 PolarHBondContact O-N 3.24Å; L949-A953 WeakPolarHBondContact O-CB 3.18Å; L949-A953 PolarHBondContact O-N 3.45Å
950L86.9Confident86.6Confident34 Ų3434.8 Ų34.818%0.17819%0.185CC..Hα-helixtrans-61.6-44.4175.7174.264.4000111.2V946 Q947 G948 A953 C954 V1033V946-L950 WeakPolarHBondContact O-CB 3.24Å; V946-L950 PolarHBondContact O-N 3.31Å; Q947-L950 PolarHBondContact O-N 3.41Å; G948-L950 PolarHBondContact O-N 3.43Å; L950-A953 PolarHBondContact O-N 2.59Å; L950-C954 PolarHBondContact O-N 3.17Å; L950-C954 PolarHBondContact O-SG 3.05Å; L950-V1033 HydrophobicContact CD2-CG1 3.89Å
951L87Confident86.7Confident18 Ų1834.6 Ų34.69%0.09418%0.184CC..Hα-helixtrans-61.8-48.5178.8-176.3132.2000110.9E426 N921 Q947 G948 L949 A953 C954 F955 F1040E426-L951 HydrophobicContact CB-CD2 4.22Å; E426-L951 HydrophobicContact CG-CD2 3.69Å; N921-L951 HydrophobicContact CB-CD1 4.3Å; N921-L951 WeakPolarHBondContact ND2-CD1 2.72Å; Q947-L951 WeakPolarHBondContact O-CB 3.33Å; Q947-L951 PolarHBondContact O-N 3.27Å; G948-L951 PolarHBondContact O-N 3.02Å; L949-L951 VanDerWaalsContact C-N 3.34Å; L951-A953 VanDerWaalsContact C-N 3.33Å; L951-A953 PolarHBondContact O-N 3.13Å; L951-C954 PolarHBondContact O-N 3.36Å; L951-F955 HydrophobicContact CD1-CE2 4.03Å; L951-F955 HydrophobicContact CD2-CD2 3.65Å; L951-F955 HydrophobicContact CD2-CE2 3.57Å; L951-F955 HydrophobicContact CG-CD2 3.73Å; L951-F955 HydrophobicContact CG-CE2 3.53Å; L951-F955 WeakPolarHBondContact O-CD2 3.48Å; L951-F955 PolarHBondContact O-N 2.95Å; L951-F1040 HydrophobicContact CG-CZ 4.32Å
952V86Confident86.8Confident41 Ų4139 Ų3925%0.24820%0.202CC..Hα-helixtrans-58-43.7174.91720000111.7L222 E426 G948 L949 F956L222-V952 HydrophobicContact CD2-CG1 4.49Å; L222-V952 HydrophobicContact CD2-CG2 4.09Å; E426-V952 HydrophobicContact CG-CG2 3.96Å; G948-V952 WeakPolarHBondContact O-CG2 3.47Å; G948-V952 PolarHBondContact O-N 2.94Å; L949-V952 PolarHBondContact O-N 3.24Å; V952-F956 WeakPolarHBondContact O-CB 3.28Å; V952-F956 PolarHBondContact O-N 3.21Å
953A87.1Confident86.9Confident33 Ų3337.7 Ų37.727%0.27319%0.194SC..Hα-helixtrans-64-44.1178.300000112.5L949 L950 L951 F956 F957L949-A953 WeakPolarHBondContact O-CB 3.18Å; L949-A953 PolarHBondContact O-N 3.45Å; L950-A953 PolarHBondContact O-N 2.59Å; L951-A953 VanDerWaalsContact C-N 3.33Å; L951-A953 PolarHBondContact O-N 3.13Å; A953-F956 WeakPolarHBondContact O-CB 3.35Å; A953-F956 PolarHBondContact O-N 3.05Å; A953-F957 WeakPolarHBondContact O-CD2 3.28Å; A953-F957 WeakPolarHBondContact O-CG 3.47Å; A953-F957 PolarHBondContact O-N 3.41Å; A953-F957 VanDerWaalsContact O-N 3.1Å
954C89.4Confident86.7Confident1 Ų139.6 Ų39.61%0.00720%0.204CC..Hα-helixtrans-64.3-45178.4-68.30000111.7L950 L951 F956 F957 I958 F1040L950-C954 PolarHBondContact O-N 3.17Å; L950-C954 PolarHBondContact O-SG 3.05Å; L951-C954 PolarHBondContact O-N 3.36Å; C954-F956 VanDerWaalsContact C-N 3.34Å; C954-F956 PolarHBondContact O-N 3.2Å; C954-F957 PolarHBondContact O-N 3.02Å; C954-F957 VanDerWaalsContact O-N 3.17Å; C954-I958 PolarHBondContact O-N 2.76Å; C954-F1040 HydrophobicContact CB-CD1 4.03Å; C954-F1040 HydrophobicContact CB-CD2 3.88Å; C954-F1040 HydrophobicContact CB-CE1 3.72Å; C954-F1040 HydrophobicContact CB-CE2 3.61Å; C954-F1040 HydrophobicContact CB-CG 4.1Å; C954-F1040 HydrophobicContact CB-CZ 3.51Å
955F88.2Confident86.5Confident4 Ų446.9 Ų46.92%0.01824%0.235CC..Hα-helixtrans-64.2-37.8176.2-80.3-59.5000112.8E430 M914 I917 L918 L951 F957 I958 S959 F1040E430-F955 VanDerWaalsContact CD-CD2 3.49Å; E430-F955 VanDerWaalsContact CD-CG 3.45Å; E430-F955 HydrophobicContact CG-CB 3.94Å; E430-F955 HydrophobicContact CG-CD1 4.22Å; E430-F955 HydrophobicContact CG-CD2 4.26Å; E430-F955 HydrophobicContact CG-CG 3.91Å; E430-F955 WeakPolarHBondContact OE1-CD2 3.38Å; E430-F955 WeakPolarHBondContact OE1-CE2 3.23Å; E430-F955 WeakPolarHBondContact OE1-CG 3.45Å; E430-F955 WeakPolarHBondContact OE2-CE1 3.04Å; M914-F955 HydrophobicContact CB-CD1 4.4Å; M914-F955 HydrophobicContact CB-CE1 4.05Å; M914-F955 HydrophobicContact CE-CB 4.09Å; M914-F955 HydrophobicContact CE-CD1 3.61Å; M914-F955 HydrophobicContact CE-CE1 4.42Å; M914-F955 HydrophobicContact CE-CG 4.2Å; M914-F955 HydrophobicContact CG-CD1 3.95Å; M914-F955 HydrophobicContact CG-CE1 4.02Å; I917-F955 HydrophobicContact CB-CE1 4.23Å; I917-F955 HydrophobicContact CB-CZ 4.19Å; I917-F955 HydrophobicContact CG2-CE1 4.05Å; I917-F955 HydrophobicContact CG2-CZ 3.72Å; L918-F955 HydrophobicContact CB-CZ 4.09Å; L951-F955 HydrophobicContact CD1-CE2 4.03Å; L951-F955 HydrophobicContact CD2-CD2 3.65Å; L951-F955 HydrophobicContact CD2-CE2 3.57Å; L951-F955 HydrophobicContact CG-CD2 3.73Å; L951-F955 HydrophobicContact CG-CE2 3.53Å; L951-F955 WeakPolarHBondContact O-CD2 3.48Å; L951-F955 PolarHBondContact O-N 2.95Å; F955-F957 VanDerWaalsContact C-N 3.31Å; F955-F957 PolarHBondContact O-N 3.29Å; F955-I958 PolarHBondContact O-N 2.93Å; F955-S959 WeakPolarHBondContact O-CB 3.38Å; F955-S959 PolarHBondContact O-N 2.86Å; F955-F1040 AromaticContact CD1-CE1 3.68Å; F955-F1040 HydrophobicContact CD1-CE1 3.68Å; F955-F1040 HydrophobicContact CD1-CZ 4.24Å; F955-F1040 HydrophobicContact CD2-CE1 4.01Å; F955-F1040 AromaticContact CD2-CZ 3.7Å; F955-F1040 HydrophobicContact CD2-CZ 3.7Å; F955-F1040 AromaticContact CE1-CE1 3.57Å; F955-F1040 HydrophobicContact CE1-CE1 3.57Å; F955-F1040 HydrophobicContact CE1-CZ 4.1Å; F955-F1040 AromaticContact CE2-CE1 3.92Å; F955-F1040 HydrophobicContact CE2-CE1 3.92Å; F955-F1040 AromaticContact CE2-CZ 3.55Å; F955-F1040 HydrophobicContact CE2-CZ 3.55Å; F955-F1040 AromaticContact CG-CE1 3.9Å; F955-F1040 HydrophobicContact CG-CE1 3.9Å; F955-F1040 HydrophobicContact CG-CZ 4.05Å; F955-F1040 AromaticContact CZ-CE1 3.71Å; F955-F1040 HydrophobicContact CZ-CE1 3.71Å; F955-F1040 AromaticContact CZ-CZ 3.76Å; F955-F1040 HydrophobicContact CZ-CZ 3.76Å
956F87.2Confident86.3Confident83 Ų8354 Ų5436%0.36426%0.263SS..Hα-helixtrans-57.7-44171.8177.3-100.4000111.6V952 A953 C954 S959 R960V952-F956 WeakPolarHBondContact O-CB 3.28Å; V952-F956 PolarHBondContact O-N 3.21Å; A953-F956 WeakPolarHBondContact O-CB 3.35Å; A953-F956 PolarHBondContact O-N 3.05Å; C954-F956 VanDerWaalsContact C-N 3.34Å; C954-F956 PolarHBondContact O-N 3.2Å; F956-S959 PolarHBondContact O-N 3.21Å; F956-S959 PolarHBondContact O-OG 2.89Å; F956-R960 PolarHBondContact O-N 3.16Å
957F88.9Confident86Confident57 Ų5752.3 Ų52.325%0.2525%0.252CS..Hα-helixtrans-69.9-33.7177.2-64.1-48.3000113.8A953 C954 F955 R960 L1059A953-F957 WeakPolarHBondContact O-CD2 3.28Å; A953-F957 WeakPolarHBondContact O-CG 3.47Å; A953-F957 PolarHBondContact O-N 3.41Å; A953-F957 VanDerWaalsContact O-N 3.1Å; C954-F957 PolarHBondContact O-N 3.02Å; C954-F957 VanDerWaalsContact O-N 3.17Å; F955-F957 VanDerWaalsContact C-N 3.31Å; F955-F957 PolarHBondContact O-N 3.29Å; F957-R960 PolarHBondContact O-N 3.34Å; F957-L1059 HydrophobicContact CB-CB 4.16Å; F957-L1059 HydrophobicContact CB-CD1 4.11Å
958I88.4Confident85.6Confident0 Ų052.5 Ų52.50%026%0.256CS..Hα-helixtrans-63.5-43.8172.6-75.3175.6000110.9T910 M914 I917 C954 F955 R960 S961 F1040 Y1044 L1059T910-I958 HydrophobicContact CG2-CG2 3.8Å; M914-I958 HydrophobicContact CG-CG2 4Å; M914-I958 HydrophobicContact SD-CG2 4.39Å; I917-I958 HydrophobicContact CD1-CD1 3.98Å; C954-I958 PolarHBondContact O-N 2.76Å; F955-I958 PolarHBondContact O-N 2.93Å; I958-R960 PolarHBondContact O-N 3.18Å; I958-R960 VanDerWaalsContact O-N 3.13Å; I958-S961 WeakPolarHBondContact O-CB 3.44Å; I958-S961 PolarHBondContact O-N 2.82Å; I958-S961 VanDerWaalsContact O-N 3.1Å; I958-S961 PolarHBondContact O-OG 2.9Å; I958-F1040 HydrophobicContact CD1-CD1 3.35Å; I958-F1040 HydrophobicContact CD1-CE1 3.73Å; I958-F1040 HydrophobicContact CD1-CG 4.5Å; I958-Y1044 HydrophobicContact CD1-CD2 4.44Å; I958-Y1044 HydrophobicContact CG1-CD2 4.12Å; I958-Y1044 HydrophobicContact CG1-CE2 4.28Å; I958-L1059 HydrophobicContact CD1-CD1 4.46Å; I958-L1059 HydrophobicContact CD1-CD2 4.44Å; I958-L1059 HydrophobicContact CG1-CD1 3.89Å; I958-L1059 HydrophobicContact CG1-CD2 3.67Å; I958-L1059 HydrophobicContact CG1-CG 4.44Å
959S85.4Confident85.3Confident7 Ų759 Ų595%0.04928%0.281CS..Hα-helixtrans-61.1-22.2179.279.20000113.5H437 F955 F956H437-S959 WeakPolarHBondContact CB-O 3.47Å; H437-S959 PolarHBondContact CD2-O 2.72Å; H437-S959 VanDerWaalsContact CD2-O 3.25Å; F955-S959 WeakPolarHBondContact O-CB 3.38Å; F955-S959 PolarHBondContact O-N 2.86Å; F956-S959 PolarHBondContact O-N 3.21Å; F956-S959 PolarHBondContact O-OG 2.89Å
960R85.4Confident85Confident138 Ų13858.2 Ų58.252%0.52127%0.274SS..THydrogen-bonded Turntrans-9110.2179-69.7-172.867.31512.6114.6H437 F956 F957 I958H437-R960 PolarHBondContact NE2-O 3.28Å; F956-R960 PolarHBondContact O-N 3.16Å; F957-R960 PolarHBondContact O-N 3.34Å; I958-R960 PolarHBondContact O-N 3.18Å; I958-R960 VanDerWaalsContact O-N 3.13Å
961S84.5Confident84.8Confident3 Ų359.7 Ų59.72%0.02128%0.278CS..PPolyproline II helixtrans-65135.8177-57.40000110.6I958 Y1044 N1056I958-S961 WeakPolarHBondContact O-CB 3.44Å; I958-S961 PolarHBondContact O-N 2.82Å; I958-S961 VanDerWaalsContact O-N 3.1Å; I958-S961 PolarHBondContact O-OG 2.9Å; S961-Y1044 WeakPolarHBondContact CB-OH 3.23Å; S961-Y1044 WeakPolarHBondContact OG-CE2 3.37Å; S961-Y1044 PolarHBondContact OG-OH 2.63Å; S961-N1056 PolarHBondContact OG-ND2 3.19Å
962K87Confident84.6Confident117 Ų11759.4 Ų59.451%0.50928%0.277SS..PPolyproline II helixtrans-91.8145.8-177-64.6178-174.1165.80112.1M1050 E1051K962-M1050 VanDerWaalsContact O-CA 3.29Å; K962-M1050 WeakPolarHBondContact O-CA 3.44Å; K962-M1050 WeakPolarHBondContact O-CB 3.4Å; K962-E1051 HydrophobicContact CB-CG 4.25Å; K962-E1051 WeakPolarHBondContact CD-OE1 3.39Å; K962-E1051 PolarHBondContact O-N 2.82Å; K962-E1051 VanDerWaalsContact O-N 3.1Å
963P87.3Confident84.4Confident25 Ų2558.7 Ų58.716%0.16227%0.271CS..BIsolated β-bridgetrans-72.8149.2172.530.5-34.3000111.3C906C906-P963 HydrophobicContact CB-CB 3.89Å
964L85.5Confident83.9Confident41 Ų4159.8 Ų59.822%0.21528%0.276CS..PPolyproline II helixtrans-72.6156.7174.6-69.6169000112.4R902 H1047 P1048 F1049R902-L964 WeakPolarHBondContact CD-O 3.15Å; R902-L964 PolarHBondContact NH1-O 3.36Å; L964-H1047 WeakPolarHBondContact CD1-ND1 3.48Å; L964-P1048 WeakPolarHBondContact CD1-O 3.29Å; L964-F1049 PolarHBondContact N-O 3.24Å; L964-F1049 VanDerWaalsContact N-O 3.08Å
965H81.1Confident83.6Confident170 Ų17062.9 Ų62.979%0.78729%0.292SS*.SBendtrans-72.4-28.1-178.7-74.6-79.1000113.9R902R902-H965 VanDerWaalsContact NH1-CA 3.34Å; R902-H965 PolarHBondContact NH1-O 2.69Å
966K81.6Confident83.2Confident184 Ų18463.2 Ų63.280%0.829%0.294SS*.SBendtrans-99.2140-178.7-65.9-175.6178.6-1780110.8
967L81.1Confident82.8Confident22 Ų2264.1 Ų64.112%0.11530%0.298CS..PPolyproline II helixtrans-80.5118.8174.1-172.163.1000109.3T660 S664 I901 R902T660-L967 HydrophobicContact CG2-CB 4.21Å; T660-L967 HydrophobicContact CG2-CD2 4.39Å; S664-L967 VanDerWaalsContact CB-CG 3.44Å; S664-L967 WeakPolarHBondContact OG-CD2 3.46Å; I901-L967 HydrophobicContact CB-CD1 4.46Å; I901-L967 HydrophobicContact CG2-CD1 3.73Å; I901-L967 HydrophobicContact CG2-CD2 4.47Å; R902-L967 HydrophobicContact CG-CB 4.32Å; R902-L967 HydrophobicContact CG-CD1 3.69Å
968A79.3Confident82.5Confident17 Ų1763.7 Ų63.714%0.1430%0.298CS..PPolyproline II helixtrans-70.7149.5-178.300000112.4S664 R905 Q970 P1048 F1049S664-A968 WeakPolarHBondContact CB-O 3.3Å; R905-A968 PolarHBondContact NH1-O 3.27Å; A968-Q970 VanDerWaalsContact C-N 3.32Å; A968-P1048 HydrophobicContact CB-CB 3.66Å; A968-P1048 HydrophobicContact CB-CG 3.78Å; A968-F1049 HydrophobicContact CB-CD1 4.39Å; A968-F1049 HydrophobicContact CB-CE1 4.08Å
969K79.4Confident82.4Confident148 Ų14867.7 Ų67.764%0.64332%0.323SS*.SBendtrans-68.4-31.9169.6-176.8171179.9-177.90112.7H663H663-K969 WeakPolarHBondContact O-CG 3.38Å
970Q79.5Confident82.5Confident79 Ų7968.2 Ų68.237%0.36932%0.324SS..SBendtrans-70.7140.7178.3-169.2173.513.900110.7R905 A968 P1048 F1049R905-Q970 PolarHBondContact NH1-O 3.27Å; R905-Q970 VanDerWaalsContact NH1-O 3.09Å; A968-Q970 VanDerWaalsContact C-N 3.32Å; Q970-P1048 HydrophobicContact CB-CG 4.17Å; Q970-F1049 HydrophobicContact CB-CZ 4.31Å; Q970-F1049 HydrophobicContact CG-CZ 4.38Å; Q970-F1049 WeakPolarHBondContact O-CE1 3.28Å; Q970-F1049 WeakPolarHBondContact O-CZ 3.45Å
971R82.6Confident82.5Confident66 Ų6662.2 Ų62.225%0.24930%0.302CS..PPolyproline II helixtrans-94.4140.3171.6-67.6-177.1172.5-150.65.5110.1D462 G665D462-R971 IonicContact OD1-CZ 2.93Å; D462-R971 IonicContact OD1-NH1 2.64Å; D462-R971 PolarHBondContact OD1-NH1 2.76Å; G665-R971 VanDerWaalsContact O-CZ 3.24Å; G665-R971 PolarHBondContact O-NE 3.27Å; G665-R971 PolarHBondContact O-NH2 2.68Å
972P83Confident82.7Confident11 Ų1163.5 Ų63.57%0.07131%0.309CS..PPolyproline II helixtrans-67.3161.4171.631.5-35.9000110.5G459 R905 L908 V909 F1049G459-P972 WeakPolarHBondContact O-CG 3.1Å; R905-P972 HydrophobicContact CB-CG 4.39Å; R905-P972 HydrophobicContact CG-CG 4.04Å; L908-P972 HydrophobicContact CD2-CB 4.27Å; L908-P972 HydrophobicContact CD2-CG 3.84Å; V909-P972 HydrophobicContact CG2-CB 3.6Å; P972-F1049 HydrophobicContact CB-CE2 4.08Å; P972-F1049 HydrophobicContact CB-CZ 4.1Å
973L81.4Confident82.9Confident26 Ų2660.7 Ų60.714%0.13630%0.299CS..PPolyproline II helixtrans-61130.2170.8-65.3176.8000109.1L912 N978 Y980 V1126L912-L973 HydrophobicContact CD1-CB 4.22Å; L912-L973 WeakPolarHBondContact CD1-O 3.49Å; L973-N978 WeakPolarHBondContact CD2-ND2 3.4Å; L973-Y980 HydrophobicContact CD1-CD1 3.42Å; L973-Y980 VanDerWaalsContact CD1-CD1 3.42Å; L973-Y980 HydrophobicContact CD1-CE1 4.02Å; L973-Y980 HydrophobicContact CD1-CG 4.24Å; L973-V1126 HydrophobicContact CD2-CG2 4Å
974P76.8Confident83.1Confident57 Ų5759.5 Ų59.537%0.3729%0.292SS..  trans-77.8-31.3-17829.1-33.8000112.1K460K460-P974 HydrophobicContact CD-CB 4.43Å; K460-P974 WeakPolarHBondContact CE-O 3.21Å; K460-P974 PolarHBondContact NZ-O 2.79Å
975N81.1Confident83.4Confident65 Ų6557.6 Ų57.635%0.34828%0.281SS..  trans-122.5146.6-166.2-60.8-5000111.6
976I80.1Confident83.9Confident12 Ų1251.2 Ų51.26%0.06226%0.256CS..SBendtrans-70.5-39.8174.1-58.4156.2000109.8F383 L912 F915 N978 T981F383-I976 HydrophobicContact CB-CG2 4.26Å; F383-I976 HydrophobicContact CD1-CG2 4.19Å; F383-I976 HydrophobicContact CD2-CG2 3.94Å; F383-I976 HydrophobicContact CE2-CG2 4.3Å; F383-I976 HydrophobicContact CG-CG2 3.87Å; L912-I976 HydrophobicContact CD2-CB 4.17Å; L912-I976 HydrophobicContact CD2-CG1 3.46Å; L912-I976 VanDerWaalsContact CD2-CG1 3.46Å; F915-I976 HydrophobicContact CB-CG2 4.35Å; F915-I976 HydrophobicContact CD1-CD1 4.46Å; F915-I976 HydrophobicContact CD2-CD1 3.7Å; F915-I976 HydrophobicContact CD2-CG1 3.99Å; F915-I976 HydrophobicContact CE1-CD1 4.3Å; F915-I976 HydrophobicContact CE2-CD1 3.58Å; F915-I976 HydrophobicContact CE2-CG1 4.31Å; F915-I976 HydrophobicContact CG-CD1 4.19Å; F915-I976 HydrophobicContact CG-CG1 4.47Å; F915-I976 HydrophobicContact CG-CG2 4.5Å; F915-I976 HydrophobicContact CZ-CD1 3.91Å; I976-N978 PolarHBondContact O-N 2.94Å; I976-N978 VanDerWaalsContact O-N 3.14Å; I976-T981 WeakPolarHBondContact O-CB 3.38Å; I976-T981 PolarHBondContact O-OG1 3.3Å
977F80.4Confident84.5Confident101 Ų10145.7 Ų45.744%0.44324%0.235SC..SBendtrans-85.483.4-179.6-162.8-94.6000110.1F382 L982F382-F977 HydrophobicContact CB-CD2 4.34Å; F977-L982 HydrophobicContact CD1-CD1 4.47Å; F977-L982 HydrophobicContact CD2-CD1 4.17Å; F977-L982 HydrophobicContact CD2-CD2 4.14Å; F977-L982 HydrophobicContact CE1-CD1 4.1Å; F977-L982 HydrophobicContact CE2-CD1 3.77Å; F977-L982 HydrophobicContact CE2-CD2 3.99Å; F977-L982 HydrophobicContact CE2-CG 4.44Å; F977-L982 HydrophobicContact CZ-CD1 3.74Å
978N82.2Confident85.1Confident48 Ų4844.7 Ų44.726%0.25723%0.23SC..  trans-128.4155.3177.4-173.17.3000109.5L973 I976 Y980 T981 L982L973-N978 WeakPolarHBondContact CD2-ND2 3.4Å; I976-N978 PolarHBondContact O-N 2.94Å; I976-N978 VanDerWaalsContact O-N 3.14Å; N978-Y980 PolarHBondContact O-N 2.85Å; N978-T981 PolarHBondContact N-OG1 3.19Å; N978-T981 VanDerWaalsContact N-OG1 3.12Å; N978-T981 PolarHBondContact O-N 2.77Å; N978-T981 PolarHBondContact O-OG1 2.85Å; N978-L982 WeakPolarHBondContact O-CG 3.39Å; N978-L982 PolarHBondContact O-N 2.93Å
979V85.5Confident85.8Confident84 Ų8445.1 Ų45.151%0.50923%0.228SC..Hα-helixtrans-55.2-40.9175.1-179.40000110.9L983 F1123V979-L983 WeakPolarHBondContact O-CB 3.46Å; V979-L983 PolarHBondContact O-N 2.84Å; V979-F1123 HydrophobicContact CG1-CD1 4.15Å; V979-F1123 HydrophobicContact CG1-CE1 4.18Å; V979-F1123 HydrophobicContact CG1-CG 4.42Å; V979-F1123 HydrophobicContact CG1-CZ 4.49Å
980Y87.4Confident86.4Confident18 Ų1839.6 Ų39.67%0.07121%0.21CC..Hα-helixtrans-56.4-52.8175.4170.2-108.4000112.7L973 N978 T984 H1045 D1116 C1119 A1120 F1123L973-Y980 HydrophobicContact CD1-CD1 3.42Å; L973-Y980 VanDerWaalsContact CD1-CD1 3.42Å; L973-Y980 HydrophobicContact CD1-CE1 4.02Å; L973-Y980 HydrophobicContact CD1-CG 4.24Å; N978-Y980 PolarHBondContact O-N 2.85Å; Y980-T984 WeakPolarHBondContact O-CB 3.36Å; Y980-T984 WeakPolarHBondContact O-CG2 3.4Å; Y980-T984 PolarHBondContact O-N 2.65Å; Y980-H1045 PolarHBondContact OH-NE2 3.01Å; Y980-D1116 PolarHBondContact OH-OD1 2.95Å; Y980-C1119 HydrophobicContact CD2-CB 3.93Å; Y980-C1119 WeakPolarHBondContact CD2-O 3.3Å; Y980-C1119 HydrophobicContact CE2-CB 3.84Å; Y980-A1120 VanDerWaalsContact CE2-CA 3.5Å; Y980-A1120 HydrophobicContact CE2-CB 3.91Å; Y980-F1123 HydrophobicContact CD2-CB 4.5Å
981T86.5Confident87.1Confident12 Ų1237.5 Ų37.57%0.07420%0.203CC..Hα-helixtrans-69.8-40.2-174.648.70000112I976 N978 T984 V985I976-T981 WeakPolarHBondContact O-CB 3.38Å; I976-T981 PolarHBondContact O-OG1 3.3Å; N978-T981 PolarHBondContact N-OG1 3.19Å; N978-T981 VanDerWaalsContact N-OG1 3.12Å; N978-T981 PolarHBondContact O-N 2.77Å; N978-T981 PolarHBondContact O-OG1 2.85Å; T981-T984 VanDerWaalsContact O-CG2 3.25Å; T981-T984 WeakPolarHBondContact O-CG2 3.46Å; T981-V985 WeakPolarHBondContact O-CB 3.3Å; T981-V985 WeakPolarHBondContact O-CG2 3.28Å; T981-V985 PolarHBondContact O-N 3.06Å; T981-V985 VanDerWaalsContact O-N 3.1Å
982L88.8Confident87.6Confident31 Ų3134.5 Ų34.516%0.16219%0.192CC..Hα-helixtrans-65.6-46.9176.5-64.8173.1000111.1F386 F977 N978 V985 S986F386-L982 HydrophobicContact CD1-CD2 3.68Å; F386-L982 HydrophobicContact CD2-CD2 4.07Å; F386-L982 HydrophobicContact CE1-CD2 3.69Å; F386-L982 HydrophobicContact CE2-CD2 4.07Å; F386-L982 HydrophobicContact CG-CD2 3.85Å; F386-L982 HydrophobicContact CZ-CD2 3.86Å; F977-L982 HydrophobicContact CD1-CD1 4.47Å; F977-L982 HydrophobicContact CD2-CD1 4.17Å; F977-L982 HydrophobicContact CD2-CD2 4.14Å; F977-L982 HydrophobicContact CE1-CD1 4.1Å; F977-L982 HydrophobicContact CE2-CD1 3.77Å; F977-L982 HydrophobicContact CE2-CD2 3.99Å; F977-L982 HydrophobicContact CE2-CG 4.44Å; F977-L982 HydrophobicContact CZ-CD1 3.74Å; N978-L982 WeakPolarHBondContact O-CG 3.39Å; N978-L982 PolarHBondContact O-N 2.93Å; L982-V985 PolarHBondContact O-N 2.79Å; L982-S986 WeakPolarHBondContact O-CB 3.45Å; L982-S986 PolarHBondContact O-N 2.77Å; L982-S986 PolarHBondContact O-OG 2.95Å
983L90.1Very high88Confident58 Ų5837.2 Ų37.230%0.30420%0.202SC..Hα-helixtrans-66-43.3-178.5-172.266.4000111.8V979 S986 L987 F1123V979-L983 WeakPolarHBondContact O-CB 3.46Å; V979-L983 PolarHBondContact O-N 2.84Å; L983-S986 PolarHBondContact O-N 3.41Å; L983-L987 HydrophobicContact CD1-CD1 3.84Å; L983-L987 HydrophobicContact CD1-CG 4.02Å; L983-L987 HydrophobicContact CD2-CD1 4.37Å; L983-L987 HydrophobicContact CG-CD1 3.74Å; L983-L987 HydrophobicContact CG-CG 4.24Å; L983-L987 VanDerWaalsContact O-CB 3.32Å; L983-L987 WeakPolarHBondContact O-CB 3.43Å; L983-L987 VanDerWaalsContact O-CG 3.29Å; L983-L987 WeakPolarHBondContact O-CG 3.49Å; L983-L987 PolarHBondContact O-N 2.91Å; L983-F1123 HydrophobicContact CD2-CD2 3.94Å; L983-F1123 HydrophobicContact CD2-CE2 3.55Å
984T91.7Very high88.6Confident0 Ų042.5 Ų42.50%023%0.225CC..Hα-helixtrans-65.8-38.4178-170.80000112.1K916 Y980 T981 Q988K916-T984 HydrophobicContact CD-CG2 3.75Å; K916-T984 WeakPolarHBondContact CE-OG1 3.35Å; K916-T984 HydrophobicContact CG-CG2 4.44Å; K916-T984 PolarHBondContact NZ-OG1 3.34Å; K916-T984 VanDerWaalsContact NZ-OG1 3.16Å; Y980-T984 WeakPolarHBondContact O-CB 3.36Å; Y980-T984 WeakPolarHBondContact O-CG2 3.4Å; Y980-T984 PolarHBondContact O-N 2.65Å; T981-T984 VanDerWaalsContact O-CG2 3.25Å; T981-T984 WeakPolarHBondContact O-CG2 3.46Å; T984-Q988 VanDerWaalsContact O-CB 3.26Å; T984-Q988 WeakPolarHBondContact O-CB 3.42Å; T984-Q988 VanDerWaalsContact O-CG 3.24Å; T984-Q988 WeakPolarHBondContact O-CG 3.39Å; T984-Q988 PolarHBondContact O-N 3.26Å; T984-Q988 PolarHBondContact OG1-NE2 3.45Å
985V92.1Very high89.3Confident0 Ų040.8 Ų40.80%021%0.214CC..Hα-helixtrans-66.5-47.7177.4169.60000109.8F386 L387 K916 A919 L920 L923 T981 L982 F989F386-V985 HydrophobicContact CE1-CG1 4.48Å; L387-V985 HydrophobicContact CD2-CG1 4.3Å; K916-V985 HydrophobicContact CG-CG2 3.94Å; A919-V985 HydrophobicContact CB-CG1 4.42Å; L920-V985 HydrophobicContact CD2-CG1 4.23Å; L920-V985 WeakPolarHBondContact CD2-O 3.16Å; L920-V985 HydrophobicContact CG-CG1 4.46Å; L920-V985 HydrophobicContact CG-CG2 4.46Å; L923-V985 HydrophobicContact CD1-CG1 3.97Å; T981-V985 WeakPolarHBondContact O-CB 3.3Å; T981-V985 WeakPolarHBondContact O-CG2 3.28Å; T981-V985 PolarHBondContact O-N 3.06Å; T981-V985 VanDerWaalsContact O-N 3.1Å; L982-V985 PolarHBondContact O-N 2.79Å; V985-F989 WeakPolarHBondContact O-CB 3.46Å; V985-F989 PolarHBondContact O-N 3.41Å
986S91.6Very high89.8Confident36 Ų3637.8 Ų37.825%0.25220%0.198SC..Hα-helixtrans-63.8-43.8179.6-65.20000113.4L982 L983 A990L982-S986 WeakPolarHBondContact O-CB 3.45Å; L982-S986 PolarHBondContact O-N 2.77Å; L982-S986 PolarHBondContact O-OG 2.95Å; L983-S986 PolarHBondContact O-N 3.41Å; S986-A990 WeakPolarHBondContact O-CB 3.03Å; S986-A990 PolarHBondContact O-N 2.84Å
987L93.6Very high90.2Very high69 Ų6939.6 Ų39.636%0.36121%0.209SC..Hα-helixtrans-73.5-41.1-177.6-69.8178.7000112.5L983 A990 V991 I1115L983-L987 HydrophobicContact CD1-CD1 3.84Å; L983-L987 HydrophobicContact CD1-CG 4.02Å; L983-L987 HydrophobicContact CD2-CD1 4.37Å; L983-L987 HydrophobicContact CG-CD1 3.74Å; L983-L987 HydrophobicContact CG-CG 4.24Å; L983-L987 VanDerWaalsContact O-CB 3.32Å; L983-L987 WeakPolarHBondContact O-CB 3.43Å; L983-L987 VanDerWaalsContact O-CG 3.29Å; L983-L987 WeakPolarHBondContact O-CG 3.49Å; L983-L987 PolarHBondContact O-N 2.91Å; L987-A990 WeakPolarHBondContact O-CB 3.46Å; L987-A990 PolarHBondContact O-N 2.78Å; L987-V991 PolarHBondContact O-N 3.13Å; L987-V991 VanDerWaalsContact O-N 3.13Å; L987-I1115 HydrophobicContact CB-CD1 4.22Å; L987-I1115 HydrophobicContact CB-CG2 3.49Å; L987-I1115 VanDerWaalsContact CB-CG2 3.49Å; L987-I1115 HydrophobicContact CD1-CG2 4.05Å; L987-I1115 HydrophobicContact CG-CG2 4.44Å
988Q94.2Very high90.7Very high0 Ų040.6 Ų40.60%021%0.211CC..Hα-helixtrans-65.6-43.2174.3-70.9-179.218.100110.8L920 T984 A990 V991 H992 N1043 C1112 I1115L920-Q988 HydrophobicContact CD1-CB 4.45Å; L920-Q988 HydrophobicContact CD2-CB 3.82Å; T984-Q988 VanDerWaalsContact O-CB 3.26Å; T984-Q988 WeakPolarHBondContact O-CB 3.42Å; T984-Q988 VanDerWaalsContact O-CG 3.24Å; T984-Q988 WeakPolarHBondContact O-CG 3.39Å; T984-Q988 PolarHBondContact O-N 3.26Å; T984-Q988 PolarHBondContact OG1-NE2 3.45Å; Q988-A990 VanDerWaalsContact C-N 3.28Å; Q988-A990 PolarHBondContact O-N 3.06Å; Q988-V991 PolarHBondContact O-N 2.65Å; Q988-V991 VanDerWaalsContact O-N 3.16Å; Q988-H992 PolarHBondContact O-CD2 3.16Å; Q988-H992 VanDerWaalsContact O-CD2 3.29Å; Q988-H992 VanDerWaalsContact O-CG 3.23Å; Q988-H992 PolarHBondContact O-N 2.82Å; Q988-N1043 PolarHBondContact NE2-OD1 2.96Å; Q988-N1043 PolarHBondContact OE1-ND2 3.29Å; Q988-N1043 PolarHBondContact OE1-OD1 2.63Å; Q988-N1043 VanDerWaalsContact OE1-OD1 3.11Å; Q988-C1112 HydrophobicContact CG-CB 4.12Å; Q988-I1115 HydrophobicContact CG-CG2 4.12Å
989F93.3Very high91Very high26 Ų2638.3 Ų38.311%0.11420%0.199CC..Hα-helixtrans-58.3-40.4173175.2-112.9000111.9F390 L920 L923 V985 V991 H992 F993F390-F989 HydrophobicContact CD1-CD1 4.44Å; F390-F989 HydrophobicContact CD1-CE1 4.14Å; L920-F989 HydrophobicContact CD2-CB 4.22Å; L923-F989 HydrophobicContact CB-CD2 3.51Å; L923-F989 HydrophobicContact CB-CE2 3.6Å; L923-F989 HydrophobicContact CB-CG 4.15Å; L923-F989 HydrophobicContact CB-CZ 4.31Å; L923-F989 HydrophobicContact CD1-CB 4.12Å; L923-F989 HydrophobicContact CD1-CD1 4.3Å; L923-F989 HydrophobicContact CD1-CD2 4.13Å; L923-F989 HydrophobicContact CD1-CG 3.9Å; L923-F989 HydrophobicContact CG-CD2 4.43Å; V985-F989 WeakPolarHBondContact O-CB 3.46Å; V985-F989 PolarHBondContact O-N 3.41Å; F989-V991 PolarHBondContact O-N 3.03Å; F989-H992 PolarHBondContact O-N 2.9Å; F989-F993 HydrophobicContact CE2-CB 4.44Å; F989-F993 HydrophobicContact CZ-CB 4.32Å; F989-F993 HydrophobicContact CZ-CD2 4.06Å; F989-F993 WeakPolarHBondContact O-CB 3.36Å; F989-F993 PolarHBondContact O-N 2.88Å
990A93.2Very high91.1Very high32 Ų3234.9 Ų34.926%0.26418%0.178SC..Hα-helixtrans-60.5-43.4176.300000112.1S986 L987 Q988 F993 F994S986-A990 WeakPolarHBondContact O-CB 3.03Å; S986-A990 PolarHBondContact O-N 2.84Å; L987-A990 WeakPolarHBondContact O-CB 3.46Å; L987-A990 PolarHBondContact O-N 2.78Å; Q988-A990 VanDerWaalsContact C-N 3.28Å; Q988-A990 PolarHBondContact O-N 3.06Å; A990-F993 PolarHBondContact O-N 3.44Å; A990-F994 HydrophobicContact CB-CE2 4.35Å; A990-F994 WeakPolarHBondContact O-CD2 3.3Å; A990-F994 WeakPolarHBondContact O-CG 3.36Å; A990-F994 PolarHBondContact O-N 2.91Å
991V94.1Very high91.1Very high36 Ų3640.4 Ų40.422%0.21820%0.203CC..Hα-helixtrans-61.6-50.4175175.20000110.7L987 Q988 F989 F993 F994 S995 I1115L987-V991 PolarHBondContact O-N 3.13Å; L987-V991 VanDerWaalsContact O-N 3.13Å; Q988-V991 PolarHBondContact O-N 2.65Å; Q988-V991 VanDerWaalsContact O-N 3.16Å; F989-V991 PolarHBondContact O-N 3.03Å; V991-F993 VanDerWaalsContact C-N 3.29Å; V991-F993 PolarHBondContact O-N 3.09Å; V991-F994 PolarHBondContact O-N 3.44Å; V991-S995 WeakPolarHBondContact O-CB 3.03Å; V991-S995 PolarHBondContact O-N 3.4Å; V991-S995 PolarHBondContact O-OG 2.7Å; V991-I1115 HydrophobicContact CB-CD1 4.49Å; V991-I1115 HydrophobicContact CG2-CD1 3.31Å
992H93.5Very high91Very high2 Ų242.4 Ų42.41%0.00921%0.211CC..Hα-helixtrans-57.5-42.7177.3-63.6-27.6000112.6V924 Q988 F989 S995 L996 L1035 N1039 D1108 C1112V924-H992 HydrophobicContact CG2-CB 4.11Å; Q988-H992 PolarHBondContact O-CD2 3.16Å; Q988-H992 VanDerWaalsContact O-CD2 3.29Å; Q988-H992 VanDerWaalsContact O-CG 3.23Å; Q988-H992 PolarHBondContact O-N 2.82Å; F989-H992 PolarHBondContact O-N 2.9Å; H992-S995 PolarHBondContact O-N 3.21Å; H992-L996 VanDerWaalsContact O-CB 3.26Å; H992-L996 WeakPolarHBondContact O-CB 2.94Å; H992-L996 PolarHBondContact O-N 3.07Å; H992-L1035 HydrophobicContact CB-CD1 4.14Å; H992-L1035 HydrophobicContact CB-CD2 4.06Å; H992-L1035 WeakPolarHBondContact ND1-CD2 3.33Å; H992-N1039 PolarHBondContact NE2-OD1 3.4Å; H992-D1108 WeakPolarHBondContact CA-OD2 3.47Å; H992-D1108 IonicContact CE1-OD1 3.64Å; H992-D1108 PolarHBondContact CE1-OD1 2.87Å; H992-D1108 IonicContact CE1-OD2 3.52Å; H992-D1108 IonicContact CG-OD2 3.5Å; H992-D1108 VanDerWaalsContact ND1-CG 3.26Å; H992-D1108 IonicContact ND1-OD1 2.68Å; H992-D1108 PolarHBondContact ND1-OD1 2.9Å; H992-D1108 IonicContact ND1-OD2 2.59Å; H992-D1108 PolarHBondContact ND1-OD2 2.58Å; H992-C1112 PolarHBondContact CE1-SG 3.07Å
993F91.4Very high90.8Very high68 Ų6840.9 Ų40.930%0.29820%0.204SC..Hα-helixtrans-62.4-51.6178.2178.1-95.7000111.1Y927 F989 A990 V991 S995 L996 V997Y927-F993 AromaticContact CD1-CD2 3.9Å; Y927-F993 HydrophobicContact CD1-CD2 3.9Å; Y927-F993 HydrophobicContact CD1-CE2 4.26Å; Y927-F993 AromaticContact CD2-CD2 3.9Å; Y927-F993 HydrophobicContact CD2-CD2 3.9Å; Y927-F993 AromaticContact CD2-CE2 3.52Å; Y927-F993 HydrophobicContact CD2-CE2 3.52Å; Y927-F993 AromaticContact CE1-CD2 3.94Å; Y927-F993 HydrophobicContact CE1-CD2 3.94Å; Y927-F993 HydrophobicContact CE1-CE2 4.07Å; Y927-F993 AromaticContact CE2-CD2 3.93Å; Y927-F993 HydrophobicContact CE2-CD2 3.93Å; Y927-F993 AromaticContact CE2-CE2 3.28Å; Y927-F993 HydrophobicContact CE2-CE2 3.28Å; Y927-F993 HydrophobicContact CE2-CZ 4.12Å; Y927-F993 AromaticContact CG-CD2 3.89Å; Y927-F993 HydrophobicContact CG-CD2 3.89Å; Y927-F993 HydrophobicContact CG-CE2 4.02Å; Y927-F993 AromaticContact CZ-CD2 3.96Å; Y927-F993 AromaticContact CZ-CE2 3.59Å; F989-F993 HydrophobicContact CE2-CB 4.44Å; F989-F993 HydrophobicContact CZ-CB 4.32Å; F989-F993 HydrophobicContact CZ-CD2 4.06Å; F989-F993 WeakPolarHBondContact O-CB 3.36Å; F989-F993 PolarHBondContact O-N 2.88Å; A990-F993 PolarHBondContact O-N 3.44Å; V991-F993 VanDerWaalsContact C-N 3.29Å; V991-F993 PolarHBondContact O-N 3.09Å; F993-S995 PolarHBondContact O-N 3.23Å; F993-L996 PolarHBondContact O-N 3.41Å; F993-V997 HydrophobicContact CD1-CG2 4.04Å; F993-V997 HydrophobicContact CD2-CG2 4.46Å; F993-V997 HydrophobicContact CE1-CG2 3.76Å; F993-V997 HydrophobicContact CE2-CG2 4.23Å; F993-V997 HydrophobicContact CG-CG2 4.38Å; F993-V997 HydrophobicContact CZ-CG2 3.86Å; F993-V997 WeakPolarHBondContact O-CB 3.48Å; F993-V997 WeakPolarHBondContact O-CG2 2.97Å; F993-V997 PolarHBondContact O-N 2.91Å
994F92.4Very high90.4Very high138 Ų13841.2 Ų41.261%0.60520%0.203SC*.Hα-helixtrans-63.9-39.6178.4-72.1-58.2000112.4A990 V991 Y998A990-F994 HydrophobicContact CB-CE2 4.35Å; A990-F994 WeakPolarHBondContact O-CD2 3.3Å; A990-F994 WeakPolarHBondContact O-CG 3.36Å; A990-F994 PolarHBondContact O-N 2.91Å; V991-F994 PolarHBondContact O-N 3.44Å; F994-Y998 VanDerWaalsContact O-CB 3.27Å; F994-Y998 WeakPolarHBondContact O-CB 2.96Å; F994-Y998 PolarHBondContact O-N 2.86Å
995S91.8Very high89.9Confident20 Ų2046 Ų4614%0.1423%0.229CC..Hα-helixtrans-59.6-47.5174.2-630000111.3V991 H992 F993 Y998 L999 D1108V991-S995 WeakPolarHBondContact O-CB 3.03Å; V991-S995 PolarHBondContact O-N 3.4Å; V991-S995 PolarHBondContact O-OG 2.7Å; H992-S995 PolarHBondContact O-N 3.21Å; F993-S995 PolarHBondContact O-N 3.23Å; S995-Y998 PolarHBondContact O-N 2.75Å; S995-L999 WeakPolarHBondContact O-CG 3.49Å; S995-L999 PolarHBondContact O-N 2.93Å; S995-L999 VanDerWaalsContact O-N 3.09Å; S995-D1108 PolarHBondContact OG-OD2 2.89Å; S995-D1108 VanDerWaalsContact OG-OD2 3.07Å
996L91.2Very high89.1Confident2 Ų248.5 Ų48.51%0.0124%0.244CC..Hα-helixtrans-68.7-43.3-179.3-173.256.7000111.9Y927 H992 F993 Y998 L999 V1000 V1028 M1031Y927-L996 HydrophobicContact CD1-CB 4.45Å; Y927-L996 HydrophobicContact CD1-CD2 3.42Å; Y927-L996 VanDerWaalsContact CD1-CD2 3.42Å; Y927-L996 HydrophobicContact CD1-CG 4.09Å; Y927-L996 HydrophobicContact CE1-CB 4.09Å; Y927-L996 HydrophobicContact CE1-CD2 3.68Å; Y927-L996 HydrophobicContact CE1-CG 3.81Å; H992-L996 VanDerWaalsContact O-CB 3.26Å; H992-L996 WeakPolarHBondContact O-CB 2.94Å; H992-L996 PolarHBondContact O-N 3.07Å; F993-L996 PolarHBondContact O-N 3.41Å; L996-Y998 VanDerWaalsContact C-N 3.33Å; L996-Y998 PolarHBondContact O-N 3.36Å; L996-L999 PolarHBondContact O-N 2.86Å; L996-V1000 HydrophobicContact CD1-CG2 4.25Å; L996-V1000 HydrophobicContact CG-CG2 4.48Å; L996-V1000 WeakPolarHBondContact O-CB 3.4Å; L996-V1000 WeakPolarHBondContact O-CG2 3.43Å; L996-V1000 PolarHBondContact O-N 3.2Å; L996-V1028 HydrophobicContact CD1-CG1 4.43Å; L996-V1028 HydrophobicContact CD1-CG2 4.32Å; L996-M1031 HydrophobicContact CD1-CB 4.07Å; L996-M1031 HydrophobicContact CD1-CG 3.99Å
997V90.3Very high88.1Confident50 Ų5049.5 Ų49.530%0.30325%0.247SC..Hα-helixtrans-56.3-47173.4171.40000111.2Y927 F993 V1000 K1001Y927-V997 HydrophobicContact CE1-CG2 4.16Å; Y927-V997 WeakPolarHBondContact OH-CG2 3.41Å; F993-V997 HydrophobicContact CD1-CG2 4.04Å; F993-V997 HydrophobicContact CD2-CG2 4.46Å; F993-V997 HydrophobicContact CE1-CG2 3.76Å; F993-V997 HydrophobicContact CE2-CG2 4.23Å; F993-V997 HydrophobicContact CG-CG2 4.38Å; F993-V997 HydrophobicContact CZ-CG2 3.86Å; F993-V997 WeakPolarHBondContact O-CB 3.48Å; F993-V997 WeakPolarHBondContact O-CG2 2.97Å; F993-V997 PolarHBondContact O-N 2.91Å; V997-V1000 PolarHBondContact O-N 2.57Å; V997-K1001 WeakPolarHBondContact O-CB 3.46Å; V997-K1001 PolarHBondContact O-N 2.83Å
998Y90.5Very high86.5Confident122 Ų12256.5 Ų56.548%0.47827%0.269SS..Hα-helixtrans-63.1-44.1-178.7177.5-104.5000111.9F994 S995 L996 K1001 M1002 T1100F994-Y998 VanDerWaalsContact O-CB 3.27Å; F994-Y998 WeakPolarHBondContact O-CB 2.96Å; F994-Y998 PolarHBondContact O-N 2.86Å; S995-Y998 PolarHBondContact O-N 2.75Å; L996-Y998 VanDerWaalsContact C-N 3.33Å; L996-Y998 PolarHBondContact O-N 3.36Å; Y998-K1001 PolarHBondContact O-N 2.67Å; Y998-M1002 HydrophobicContact CE1-CG 4.31Å; Y998-M1002 HydrophobicContact CE2-CG 4.39Å; Y998-M1002 VanDerWaalsContact O-CG 3.32Å; Y998-M1002 WeakPolarHBondContact O-CG 3.5Å; Y998-M1002 PolarHBondContact O-N 3.29Å; Y998-T1100 HydrophobicContact CD1-CG2 4.48Å; Y998-T1100 HydrophobicContact CE1-CG2 3.52Å
999L87.8Confident84.7Confident0 Ų059.8 Ų59.80%029%0.288CS..Hα-helixtrans-67.1-42.3178.5-72.3178.3000112.8S995 L996 M1002 A1003 T1027 M1031 T1100 V1101 A1104S995-L999 WeakPolarHBondContact O-CG 3.49Å; S995-L999 PolarHBondContact O-N 2.93Å; S995-L999 VanDerWaalsContact O-N 3.09Å; L996-L999 PolarHBondContact O-N 2.86Å; L999-M1002 PolarHBondContact O-N 2.94Å; L999-A1003 WeakPolarHBondContact O-CB 3.22Å; L999-A1003 PolarHBondContact O-N 3.36Å; L999-T1027 HydrophobicContact CB-CG2 4.03Å; L999-M1031 HydrophobicContact CD1-CB 4.27Å; L999-M1031 HydrophobicContact CD1-CE 4.23Å; L999-M1031 HydrophobicContact CD1-CG 3.88Å; L999-M1031 HydrophobicContact CD1-SD 3.52Å; L999-M1031 VanDerWaalsContact CD1-SD 3.52Å; L999-T1100 HydrophobicContact CD2-CG2 4.46Å; L999-V1101 HydrophobicContact CD2-CG2 4.03Å; L999-A1104 HydrophobicContact CD1-CB 3.96Å; L999-A1104 HydrophobicContact CD2-CB 3.86Å; L999-A1104 HydrophobicContact CG-CB 4.05Å
1000V87.8Confident82.6Confident12 Ų1267.7 Ų67.77%0.07333%0.325CS..Hα-helixtrans-60.9-46.9176.2168.50000110.6V931 L996 V997 M1002 A1003 H1004 V1028V931-V1000 HydrophobicContact CG1-CB 4.32Å; V931-V1000 HydrophobicContact CG1-CG1 3.59Å; V931-V1000 HydrophobicContact CG1-CG2 3.83Å; L996-V1000 HydrophobicContact CD1-CG2 4.25Å; L996-V1000 HydrophobicContact CG-CG2 4.48Å; L996-V1000 WeakPolarHBondContact O-CB 3.4Å; L996-V1000 WeakPolarHBondContact O-CG2 3.43Å; L996-V1000 PolarHBondContact O-N 3.2Å; V997-V1000 PolarHBondContact O-N 2.57Å; V1000-M1002 VanDerWaalsContact C-N 3.26Å; V1000-M1002 PolarHBondContact O-N 2.87Å; V1000-A1003 WeakPolarHBondContact O-CB 3.48Å; V1000-A1003 PolarHBondContact O-N 3.32Å; V1000-A1003 VanDerWaalsContact O-N 3.12Å; V1000-H1004 PolarHBondContact O-CD2 3.49Å; V1000-H1004 PolarHBondContact O-N 2.94Å; V1000-V1028 HydrophobicContact CG2-CG2 3.69Å
1001K87.4Confident80.7Confident135 Ų13574.3 Ų74.359%0.58735%0.348SS*.Hα-helixtrans-60.3-37.3177-172.7173.7-176.6175.10112.3V997 Y998 N1005V997-K1001 WeakPolarHBondContact O-CB 3.46Å; V997-K1001 PolarHBondContact O-N 2.83Å; Y998-K1001 PolarHBondContact O-N 2.67Å; K1001-N1005 VanDerWaalsContact O-CG 3.31Å; K1001-N1005 PolarHBondContact O-N 3.18Å
1002M84.6Confident78.8Confident53 Ų5376.9 Ų76.926%0.26137%0.366SS..Hα-helixtrans-70.1-40.8174.4-72.7-72.799.700112.3Y998 L999 V1000 H1004 N1005 V1006 F1097Y998-M1002 HydrophobicContact CE1-CG 4.31Å; Y998-M1002 HydrophobicContact CE2-CG 4.39Å; Y998-M1002 VanDerWaalsContact O-CG 3.32Å; Y998-M1002 WeakPolarHBondContact O-CG 3.5Å; Y998-M1002 PolarHBondContact O-N 3.29Å; L999-M1002 PolarHBondContact O-N 2.94Å; V1000-M1002 VanDerWaalsContact C-N 3.26Å; V1000-M1002 PolarHBondContact O-N 2.87Å; M1002-H1004 VanDerWaalsContact C-N 3.34Å; M1002-H1004 PolarHBondContact O-N 2.9Å; M1002-N1005 VanDerWaalsContact CE-ND2 3.25Å; M1002-N1005 WeakPolarHBondContact CE-ND2 3.5Å; M1002-N1005 WeakPolarHBondContact O-CB 3.31Å; M1002-N1005 PolarHBondContact O-N 2.81Å; M1002-N1005 VanDerWaalsContact O-N 3.11Å; M1002-V1006 WeakPolarHBondContact O-CG2 3.45Å; M1002-V1006 PolarHBondContact O-N 3.18Å; M1002-V1006 VanDerWaalsContact O-N 3.14Å; M1002-F1097 HydrophobicContact CB-CD2 4.09Å; M1002-F1097 HydrophobicContact CB-CE2 3.84Å
1003A83.4Confident76.9Confident0 Ų078.3 Ų78.30%038%0.378CS..Hα-helixtrans-59.9-43.917700000111.3L999 V1000 N1005 V1006 D1007 V1024 F1097L999-A1003 WeakPolarHBondContact O-CB 3.22Å; L999-A1003 PolarHBondContact O-N 3.36Å; V1000-A1003 WeakPolarHBondContact O-CB 3.48Å; V1000-A1003 PolarHBondContact O-N 3.32Å; V1000-A1003 VanDerWaalsContact O-N 3.12Å; A1003-N1005 VanDerWaalsContact C-N 3.29Å; A1003-N1005 PolarHBondContact O-N 3.33Å; A1003-V1006 PolarHBondContact O-N 2.94Å; A1003-V1006 VanDerWaalsContact O-N 3.16Å; A1003-D1007 PolarHBondContact O-N 3.28Å; A1003-V1024 HydrophobicContact CB-CG2 4Å; A1003-F1097 HydrophobicContact CB-CE2 4.36Å; A1003-F1097 HydrophobicContact CB-CZ 4.01Å
1004H82.8Confident75.1Confident64 Ų6482.1 Ų82.130%0.29639%0.394SS..Hα-helixtrans-61.7-33.2173.3-73.5-58.9000114.3D935 V1000 M1002 V1006 D1007D935-H1004 IonicContact OD1-CE1 3.66Å; D935-H1004 PolarHBondContact OD1-CE1 2.56Å; D935-H1004 VanDerWaalsContact OD1-CE1 3.31Å; D935-H1004 IonicContact OD1-NE2 2.96Å; D935-H1004 IonicContact OD2-CE1 3.26Å; D935-H1004 PolarHBondContact OD2-CE1 3.23Å; D935-H1004 IonicContact OD2-NE2 3.24Å; D935-H1004 PolarHBondContact OD2-NE2 3.48Å; V1000-H1004 PolarHBondContact O-CD2 3.49Å; V1000-H1004 PolarHBondContact O-N 2.94Å; M1002-H1004 VanDerWaalsContact C-N 3.34Å; M1002-H1004 PolarHBondContact O-N 2.9Å; H1004-V1006 VanDerWaalsContact C-N 3.3Å; H1004-D1007 CarbonylContact O-C 3.56Å
1005N80.1Confident73.2Confident101 Ų10177.2 Ų77.254%0.5437%0.374SS..Hα-helixtrans-71.3-29.7177.6-74.4-14.2000112.1K1001 M1002 A1003K1001-N1005 VanDerWaalsContact O-CG 3.31Å; K1001-N1005 PolarHBondContact O-N 3.18Å; M1002-N1005 VanDerWaalsContact CE-ND2 3.25Å; M1002-N1005 WeakPolarHBondContact CE-ND2 3.5Å; M1002-N1005 WeakPolarHBondContact O-CB 3.31Å; M1002-N1005 PolarHBondContact O-N 2.81Å; M1002-N1005 VanDerWaalsContact O-N 3.11Å; A1003-N1005 VanDerWaalsContact C-N 3.29Å; A1003-N1005 PolarHBondContact O-N 3.33Å
1006V75.9Confident71.3Confident52 Ų5282 Ų8232%0.31540%0.398SS..Hα-helixtrans-84.3-44.1-179.7174.90000111M1002 A1003 H1004 L1023 P1091 V1094 F1097M1002-V1006 WeakPolarHBondContact O-CG2 3.45Å; M1002-V1006 PolarHBondContact O-N 3.18Å; M1002-V1006 VanDerWaalsContact O-N 3.14Å; A1003-V1006 PolarHBondContact O-N 2.94Å; A1003-V1006 VanDerWaalsContact O-N 3.16Å; H1004-V1006 VanDerWaalsContact C-N 3.3Å; V1006-L1023 HydrophobicContact CB-CD2 3.96Å; V1006-L1023 HydrophobicContact CG1-CD2 3.67Å; V1006-P1091 HydrophobicContact CG1-CG 4.05Å; V1006-V1094 HydrophobicContact CG1-CG2 4.14Å; V1006-V1094 HydrophobicContact CG2-CG1 4.41Å; V1006-F1097 HydrophobicContact CG2-CB 4.3Å; V1006-F1097 HydrophobicContact CG2-CD2 4.15Å; V1006-F1097 HydrophobicContact CG2-CG 4.18Å
1007D70.1Confident69.5Low58 Ų5886.7 Ų86.731%0.3142%0.423SS..SBendtrans-107.987.9178.4-161.58.5000108.3A1003 H1004 V1009 L1023A1003-D1007 PolarHBondContact O-N 3.28Å; H1004-D1007 CarbonylContact O-C 3.56Å; D1007-V1009 PolarHBondContact O-N 3.46Å; D1007-L1023 HydrophobicContact CB-CB 3.96Å; D1007-L1023 HydrophobicContact CB-CD2 3.84Å; D1007-L1023 WeakPolarHBondContact OD2-CB 2.97Å
1008R59.9Low68.1Low216 Ų21693.6 Ų93.682%0.81545%0.449SS*.  trans-73.582.8173.3-72.3-172.5-178.8-174.50.4108.2E1010R1008-E1010 PolarHBondContact O-N 3.46Å
1009V56.8Low67Low68 Ų6891 Ų9141%0.41244%0.44SS..  trans-61.3105.6173-179.60000108.1D1007 K1011D1007-V1009 PolarHBondContact O-N 3.46Å; V1009-K1011 WeakPolarHBondContact CG1-O 3.34Å; V1009-K1011 PolarHBondContact O-N 3.43Å
1010E50.7Low66Low192 Ų19293.5 Ų93.590%0.89746%0.458SS*.SBendtrans-68.7-18.2-174.9-71.5-174.4161.700113.3R1008R1008-E1010 PolarHBondContact O-N 3.46Å
1011K51.9Low65.1Low171 Ų17195.7 Ų95.774%0.74347%0.472SS*.SBendtrans-146.8126.5172.6-67.3-178.8-178.8173.50109.7V1009 A1013V1009-K1011 WeakPolarHBondContact CG1-O 3.34Å; V1009-K1011 PolarHBondContact O-N 3.43Å; K1011-A1013 PolarHBondContact O-N 2.9Å
1012P54.2Low64.7Low91 Ų9190.9 Ų90.959%0.59145%0.453SS*.PPolyproline II helixtrans-53.1131.5168.424.2-31.8000108.1
1013A55.1Low64.6Low31 Ų3188.7 Ų88.726%0.25644%0.442SS..PPolyproline II helixtrans-55144.6174.900000108.6K1011 I1015K1011-A1013 PolarHBondContact O-N 2.9Å; A1013-I1015 PolarHBondContact O-N 2.89Å
1014K52Low64.7Low148 Ų14888.8 Ų88.864%0.64344%0.443SS*.PPolyproline II helixtrans-66.3131170.3-73.3-176.8176.3-175.70106.6D1016 D1017K1014-D1016 PolarHBondContact O-N 2.94Å; K1014-D1017 PolarHBondContact N-OD2 3.26Å; K1014-D1017 WeakPolarHBondContact O-CB 3.37Å; K1014-D1017 PolarHBondContact O-N 2.91Å
1015I52.1Low64.9Low35 Ų3585.8 Ų85.818%0.17943%0.429CS..THydrogen-bonded Turntrans-57.5-17.7179.3-63.8170.1000112R406 K410 Y933 A1013R406-I1015 HydrophobicContact CG-CD1 4.27Å; K410-I1015 HydrophobicContact CD-CG2 4.03Å; Y933-I1015 HydrophobicContact CE2-CD1 4.39Å; A1013-I1015 PolarHBondContact O-N 2.89Å
1016D53.2Low65.3Low122 Ų12281 Ų8165%0.65240%0.403SS*.THydrogen-bonded Turntrans-80.6-11.3176-59.5-32.2000114K410 K1014K410-D1016 IonicContact NZ-OD1 3.83Å; K410-D1016 PolarHBondContact NZ-OD1 2.98Å; K1014-D1016 PolarHBondContact O-N 2.94Å
1017D54.1Low65.8Low99 Ų9978.7 Ų78.753%0.52939%0.389SS..SBendtrans-73.4138.6177.2-66.4-33.5000109.9K1014 F1019K1014-D1017 PolarHBondContact N-OD2 3.26Å; K1014-D1017 WeakPolarHBondContact O-CB 3.37Å; K1014-D1017 PolarHBondContact O-N 2.91Å; D1017-F1019 PolarHBondContact O-N 3.45Å
1018K60.3Low66.8Low196 Ų19676 Ų7685%0.85238%0.375SS*.  trans-50.9142171.9-74-179.61781800109.5S1020K1018-S1020 PolarHBondContact O-N 3.41Å; K1018-S1020 VanDerWaalsContact O-N 3.12Å
1019F67.4Low68.3Low67 Ų6766.1 Ų66.129%0.29434%0.338SS..  trans-41.3121.1178.6169.8-96.1000111.3K938 D1017 P1021 N1025 E1086K938-F1019 VanDerWaalsContact O-CD2 3.26Å; K938-F1019 WeakPolarHBondContact O-CD2 3.28Å; K938-F1019 WeakPolarHBondContact O-CE2 3.47Å; D1017-F1019 PolarHBondContact O-N 3.45Å; F1019-P1021 HydrophobicContact CE1-CB 4.26Å; F1019-P1021 HydrophobicContact CZ-CB 4.3Å; F1019-N1025 WeakPolarHBondContact CE2-ND2 2.89Å; F1019-N1025 VanDerWaalsContact CZ-ND2 3.28Å; F1019-N1025 WeakPolarHBondContact CZ-ND2 3.42Å; F1019-E1086 HydrophobicContact CE1-CB 3.91Å
1020S65.7Low69.8Low52 Ų5263.1 Ų63.136%0.36432%0.319SS..  trans-117.1128.7173.350.60000108.7K1018 N1022K1018-S1020 PolarHBondContact O-N 3.41Å; K1018-S1020 VanDerWaalsContact O-N 3.12Å; S1020-N1022 PolarHBondContact O-N 3.05Å
1021P69.2Low71.7Confident58 Ų5854 Ų5438%0.37728%0.277SS..  trans-72.5121.9-177.330.8-35.3000109.7F1019 E1086 V1088F1019-P1021 HydrophobicContact CE1-CB 4.26Å; F1019-P1021 HydrophobicContact CZ-CB 4.3Å; P1021-E1086 VanDerWaalsContact CB-O 3.29Å; P1021-E1086 WeakPolarHBondContact CB-O 3.45Å; P1021-V1088 VanDerWaalsContact C-CG2 3.45Å; P1021-V1088 HydrophobicContact CB-CG2 3.87Å; P1021-V1088 HydrophobicContact CG-CG2 4.32Å; P1021-V1088 WeakPolarHBondContact O-CG2 3.16Å
1022N78.9Confident73.6Confident34 Ų3445.9 Ų45.918%0.18224%0.242CC..  trans-113.8163.9179.7-67.7-15.8000111.7I937 S1020 V1024 N1025 T1026I937-N1022 HydrophobicContact CD1-CB 4.03Å; I937-N1022 WeakPolarHBondContact CD1-ND2 2.93Å; S1020-N1022 PolarHBondContact O-N 3.05Å; N1022-V1024 VanDerWaalsContact C-N 3.3Å; N1022-V1024 PolarHBondContact O-N 2.86Å; N1022-N1025 HydrophobicContact CB-CB 4.47Å; N1022-N1025 PolarHBondContact O-N 2.84Å; N1022-T1026 PolarHBondContact O-N 2.99Å; N1022-T1026 PolarHBondContact O-OG1 2.85Å
1023L82.6Confident75.3Confident8 Ų842.1 Ų42.14%0.04222%0.217CC..Hα-helixtrans-62.2-39.7175.9-174.863.9000111.7V1006 D1007 T1026 T1027 L1090 P1091 F1097V1006-L1023 HydrophobicContact CB-CD2 3.96Å; V1006-L1023 HydrophobicContact CG1-CD2 3.67Å; D1007-L1023 HydrophobicContact CB-CB 3.96Å; D1007-L1023 HydrophobicContact CB-CD2 3.84Å; D1007-L1023 WeakPolarHBondContact OD2-CB 2.97Å; L1023-T1026 PolarHBondContact O-N 3.28Å; L1023-T1027 WeakPolarHBondContact O-CB 3.38Å; L1023-T1027 PolarHBondContact O-N 2.86Å; L1023-T1027 PolarHBondContact O-OG1 2.99Å; L1023-L1090 HydrophobicContact CD1-CD2 3.89Å; L1023-P1091 HydrophobicContact CD1-CG 4.37Å; L1023-P1091 HydrophobicContact CD2-CG 4.33Å; L1023-F1097 HydrophobicContact CD1-CE1 4.07Å; L1023-F1097 HydrophobicContact CD2-CE1 4.17Å; L1023-F1097 HydrophobicContact CG-CE1 4.29Å
1024V85.3Confident77Confident2 Ų241.3 Ų41.31%0.01221%0.208CC..Hα-helixtrans-63.1-48.1176.4-178.50000110.6L932 I937 A1003 N1022 T1026 T1027 V1028L932-V1024 HydrophobicContact CD2-CG1 4.27Å; I937-V1024 HydrophobicContact CD1-CB 4.12Å; A1003-V1024 HydrophobicContact CB-CG2 4Å; N1022-V1024 VanDerWaalsContact C-N 3.3Å; N1022-V1024 PolarHBondContact O-N 2.86Å; V1024-T1026 VanDerWaalsContact C-N 3.33Å; V1024-T1026 PolarHBondContact O-N 3.46Å; V1024-T1027 PolarHBondContact O-N 3.32Å; V1024-V1028 HydrophobicContact CG1-CG2 4.19Å; V1024-V1028 WeakPolarHBondContact O-CB 3.49Å; V1024-V1028 WeakPolarHBondContact O-CG2 3.23Å; V1024-V1028 PolarHBondContact O-N 3.22Å
1025N87.1Confident79Confident0 Ų034.3 Ų34.30%018%0.177CC..Hα-helixtrans-55.4-49.3176.3-174.246.7000111.5I937 Q943 F1019 N1022 T1027 V1028 Y1029I937-N1025 HydrophobicContact CG2-CB 3.81Å; Q943-N1025 PolarHBondContact NE2-ND2 3.42Å; Q943-N1025 PolarHBondContact OE1-ND2 2.81Å; Q943-N1025 VanDerWaalsContact OE1-ND2 3.11Å; F1019-N1025 WeakPolarHBondContact CE2-ND2 2.89Å; F1019-N1025 VanDerWaalsContact CZ-ND2 3.28Å; F1019-N1025 WeakPolarHBondContact CZ-ND2 3.42Å; N1022-N1025 HydrophobicContact CB-CB 4.47Å; N1022-N1025 PolarHBondContact O-N 2.84Å; N1025-T1027 VanDerWaalsContact C-N 3.33Å; N1025-T1027 PolarHBondContact O-N 3.17Å; N1025-V1028 PolarHBondContact O-N 2.9Å; N1025-Y1029 VanDerWaalsContact O-CB 3.27Å; N1025-Y1029 WeakPolarHBondContact O-CB 3.21Å; N1025-Y1029 PolarHBondContact O-N 2.84Å
1026T88.2Confident80.8Confident1 Ų132.8 Ų32.81%0.00617%0.169CC..Hα-helixtrans-59.9-45.6179.9-58.50000111.4N1022 L1023 V1024 L1030 L1087 V1088 L1090N1022-T1026 PolarHBondContact O-N 2.99Å; N1022-T1026 PolarHBondContact O-OG1 2.85Å; L1023-T1026 PolarHBondContact O-N 3.28Å; V1024-T1026 VanDerWaalsContact C-N 3.33Å; V1024-T1026 PolarHBondContact O-N 3.46Å; T1026-L1030 HydrophobicContact CG2-CD1 3.84Å; T1026-L1030 HydrophobicContact CG2-CG 4.36Å; T1026-L1030 WeakPolarHBondContact O-CB 3.29Å; T1026-L1030 VanDerWaalsContact O-CG 3.26Å; T1026-L1030 WeakPolarHBondContact O-CG 2.84Å; T1026-L1030 PolarHBondContact O-N 2.93Å; T1026-L1087 HydrophobicContact CG2-CB 4.13Å; T1026-L1087 HydrophobicContact CG2-CD2 3.98Å; T1026-V1088 VanDerWaalsContact CG2-O 3.25Å; T1026-V1088 WeakPolarHBondContact CG2-O 3.01Å; T1026-V1088 PolarHBondContact OG1-N 3.38Å; T1026-L1090 HydrophobicContact CG2-CD2 4.46Å
1027T88Confident82.7Confident3 Ų327.4 Ų27.42%0.01814%0.141CC..Hα-helixtrans-65.7-45-178.1-55.80000111.1L999 L1023 V1024 N1025 M1031 F1097L999-T1027 HydrophobicContact CB-CG2 4.03Å; L1023-T1027 WeakPolarHBondContact O-CB 3.38Å; L1023-T1027 PolarHBondContact O-N 2.86Å; L1023-T1027 PolarHBondContact O-OG1 2.99Å; V1024-T1027 PolarHBondContact O-N 3.32Å; N1025-T1027 VanDerWaalsContact C-N 3.33Å; N1025-T1027 PolarHBondContact O-N 3.17Å; T1027-M1031 VanDerWaalsContact O-CB 3.27Å; T1027-M1031 WeakPolarHBondContact O-CB 3.23Å; T1027-M1031 PolarHBondContact O-N 3.36Å; T1027-F1097 HydrophobicContact CG2-CZ 4.06Å
1028V90.2Very high84.5Confident1 Ų122.8 Ų22.81%0.00612%0.116CC..Hα-helixtrans-65.9-45.5178.2174.10000110.7L932 F939 L996 V1000 V1024 N1025 M1031 S1032L932-V1028 HydrophobicContact CD1-CB 4.48Å; L932-V1028 HydrophobicContact CD1-CG1 3.96Å; L932-V1028 HydrophobicContact CD2-CB 4.07Å; L932-V1028 HydrophobicContact CD2-CG1 4.29Å; L932-V1028 HydrophobicContact CD2-CG2 4.05Å; L932-V1028 HydrophobicContact CG-CB 4.4Å; L932-V1028 HydrophobicContact CG-CG1 4.06Å; F939-V1028 HydrophobicContact CE1-CG1 4.29Å; F939-V1028 HydrophobicContact CZ-CG1 3.96Å; L996-V1028 HydrophobicContact CD1-CG1 4.43Å; L996-V1028 HydrophobicContact CD1-CG2 4.32Å; V1000-V1028 HydrophobicContact CG2-CG2 3.69Å; V1024-V1028 HydrophobicContact CG1-CG2 4.19Å; V1024-V1028 WeakPolarHBondContact O-CB 3.49Å; V1024-V1028 WeakPolarHBondContact O-CG2 3.23Å; V1024-V1028 PolarHBondContact O-N 3.22Å; N1025-V1028 PolarHBondContact O-N 2.9Å; V1028-M1031 PolarHBondContact O-N 3.22Å; V1028-S1032 WeakPolarHBondContact O-CB 3.44Å; V1028-S1032 PolarHBondContact O-N 2.74Å; V1028-S1032 PolarHBondContact O-OG 3.37Å; V1028-S1032 VanDerWaalsContact O-OG 3.06Å
1029Y90.7Very high86Confident10 Ų1013.5 Ų13.54%0.0398%0.076CC..Hα-helixtrans-60.8-50.8177.7176.5-104.5000112.3F939 Q943 N1025 M1031 S1032 V1033 L1087F939-Y1029 HydrophobicContact CD1-CD2 4.32Å; F939-Y1029 HydrophobicContact CE1-CD2 4.25Å; Q943-Y1029 HydrophobicContact CB-CD2 3.77Å; Q943-Y1029 HydrophobicContact CB-CE2 3.48Å; Q943-Y1029 VanDerWaalsContact CB-CE2 3.48Å; Q943-Y1029 HydrophobicContact CG-CD2 4.03Å; Q943-Y1029 HydrophobicContact CG-CE1 4.35Å; Q943-Y1029 HydrophobicContact CG-CE2 3.88Å; Q943-Y1029 HydrophobicContact CG-CG 4.34Å; N1025-Y1029 VanDerWaalsContact O-CB 3.27Å; N1025-Y1029 WeakPolarHBondContact O-CB 3.21Å; N1025-Y1029 PolarHBondContact O-N 2.84Å; Y1029-M1031 VanDerWaalsContact C-N 3.29Å; Y1029-M1031 PolarHBondContact O-N 2.71Å; Y1029-S1032 PolarHBondContact O-N 2.98Å; Y1029-V1033 HydrophobicContact CD2-CG2 4.18Å; Y1029-V1033 HydrophobicContact CE1-CG2 4.14Å; Y1029-V1033 HydrophobicContact CE2-CG2 3.75Å; Y1029-V1033 WeakPolarHBondContact O-CG2 3.32Å; Y1029-V1033 PolarHBondContact O-N 2.84Å; Y1029-L1087 HydrophobicContact CD1-CD1 4.05Å; Y1029-L1087 HydrophobicContact CD1-CD2 3.61Å; Y1029-L1087 HydrophobicContact CD1-CG 4.38Å; Y1029-L1087 HydrophobicContact CE1-CD1 4.14Å; Y1029-L1087 HydrophobicContact CE1-CD2 4.32Å; Y1029-L1087 HydrophobicContact CG-CD2 4.25Å
1030L89.3Confident87.2Confident4 Ų410.4 Ų10.42%0.0216%0.062CC..Hα-helixtrans-60.1-41.3178.4-71.5174.6000111.7T1026 F1034 V1070 I1073 L1087 L1090T1026-L1030 HydrophobicContact CG2-CD1 3.84Å; T1026-L1030 HydrophobicContact CG2-CG 4.36Å; T1026-L1030 WeakPolarHBondContact O-CB 3.29Å; T1026-L1030 VanDerWaalsContact O-CG 3.26Å; T1026-L1030 WeakPolarHBondContact O-CG 2.84Å; T1026-L1030 PolarHBondContact O-N 2.93Å; L1030-F1034 WeakPolarHBondContact O-CB 3.46Å; L1030-F1034 PolarHBondContact O-N 3.26Å; L1030-F1034 VanDerWaalsContact O-N 3.08Å; L1030-V1070 HydrophobicContact CB-CG1 4.41Å; L1030-V1070 HydrophobicContact CD2-CG1 4.25Å; L1030-I1073 HydrophobicContact CD1-CG2 4.06Å; L1030-I1073 HydrophobicContact CD2-CB 4.03Å; L1030-I1073 HydrophobicContact CD2-CG2 3.58Å; L1030-I1073 HydrophobicContact CG-CG2 4.42Å; L1030-L1087 HydrophobicContact CD2-CD1 4.34Å; L1030-L1090 HydrophobicContact CD1-CD1 4.36Å
1031M90.2Very high88.4Confident2 Ų29.6 Ų9.61%0.016%0.059CC..Hα-helixtrans-65.8-46.7176-168.564.3-177.500110.9L996 L999 T1027 V1028 Y1029 V1033 F1034 L1035 I1105 D1108L996-M1031 HydrophobicContact CD1-CB 4.07Å; L996-M1031 HydrophobicContact CD1-CG 3.99Å; L999-M1031 HydrophobicContact CD1-CB 4.27Å; L999-M1031 HydrophobicContact CD1-CE 4.23Å; L999-M1031 HydrophobicContact CD1-CG 3.88Å; L999-M1031 HydrophobicContact CD1-SD 3.52Å; L999-M1031 VanDerWaalsContact CD1-SD 3.52Å; T1027-M1031 VanDerWaalsContact O-CB 3.27Å; T1027-M1031 WeakPolarHBondContact O-CB 3.23Å; T1027-M1031 PolarHBondContact O-N 3.36Å; V1028-M1031 PolarHBondContact O-N 3.22Å; Y1029-M1031 VanDerWaalsContact C-N 3.29Å; Y1029-M1031 PolarHBondContact O-N 2.71Å; M1031-V1033 PolarHBondContact O-N 2.72Å; M1031-F1034 WeakPolarHBondContact O-CB 3.02Å; M1031-F1034 PolarHBondContact O-N 3.21Å; M1031-F1034 VanDerWaalsContact O-N 3.15Å; M1031-L1035 HydrophobicContact CE-CD1 4.25Å; M1031-L1035 HydrophobicContact CE-CD2 3.63Å; M1031-L1035 HydrophobicContact CE-CG 3.93Å; M1031-L1035 HydrophobicContact CG-CD1 3.94Å; M1031-L1035 HydrophobicContact CG-CG 4.06Å; M1031-L1035 WeakPolarHBondContact O-CB 3.13Å; M1031-L1035 WeakPolarHBondContact O-CG 3.36Å; M1031-L1035 PolarHBondContact O-N 3.16Å; M1031-L1035 HydrophobicContact SD-CG 4.43Å; M1031-I1105 HydrophobicContact SD-CG1 4.1Å; M1031-D1108 HydrophobicContact CE-CB 4.29Å
1032S90.8Very high89.4Confident0 Ų07.3 Ų7.30%04%0.043CC..Hα-helixtrans-58.3-45.1179-71.30000112.7V1028 Y1029 F1034 L1035 Q1036V1028-S1032 WeakPolarHBondContact O-CB 3.44Å; V1028-S1032 PolarHBondContact O-N 2.74Å; V1028-S1032 PolarHBondContact O-OG 3.37Å; V1028-S1032 VanDerWaalsContact O-OG 3.06Å; Y1029-S1032 PolarHBondContact O-N 2.98Å; S1032-F1034 VanDerWaalsContact C-N 3.34Å; S1032-F1034 PolarHBondContact O-N 2.92Å; S1032-L1035 PolarHBondContact O-N 3.31Å; S1032-Q1036 VanDerWaalsContact O-CG 3.26Å; S1032-Q1036 WeakPolarHBondContact O-CG 3.27Å; S1032-Q1036 PolarHBondContact O-N 2.85Å; S1032-Q1036 PolarHBondContact O-NE2 2.92Å
1033V91.1Very high89.9Confident11 Ų115.7 Ų5.77%0.0674%0.035CC..Hα-helixtrans-65.5-38.5176.9177.60000111.3L950 Y1029 M1031 T1037 V1070L950-V1033 HydrophobicContact CD2-CG1 3.89Å; Y1029-V1033 HydrophobicContact CD2-CG2 4.18Å; Y1029-V1033 HydrophobicContact CE1-CG2 4.14Å; Y1029-V1033 HydrophobicContact CE2-CG2 3.75Å; Y1029-V1033 WeakPolarHBondContact O-CG2 3.32Å; Y1029-V1033 PolarHBondContact O-N 2.84Å; M1031-V1033 PolarHBondContact O-N 2.72Å; V1033-T1037 PolarHBondContact O-N 3.46Å; V1033-T1037 VanDerWaalsContact O-N 3.07Å; V1033-T1037 PolarHBondContact O-OG1 3.36Å; V1033-V1070 HydrophobicContact CB-CG2 4.03Å; V1033-V1070 HydrophobicContact CG1-CG2 3.53Å
1034F91.5Very high90.3Very high15 Ų156 Ų67%0.0664%0.036CC..Hα-helixtrans-64.9-48.1174178.4-103.4000112L1030 M1031 S1032 Q1036 T1037 C1038 V1070 I1105 L1109L1030-F1034 WeakPolarHBondContact O-CB 3.46Å; L1030-F1034 PolarHBondContact O-N 3.26Å; L1030-F1034 VanDerWaalsContact O-N 3.08Å; M1031-F1034 WeakPolarHBondContact O-CB 3.02Å; M1031-F1034 PolarHBondContact O-N 3.21Å; M1031-F1034 VanDerWaalsContact O-N 3.15Å; S1032-F1034 VanDerWaalsContact C-N 3.34Å; S1032-F1034 PolarHBondContact O-N 2.92Å; F1034-Q1036 VanDerWaalsContact C-N 3.27Å; F1034-Q1036 PolarHBondContact O-N 2.98Å; F1034-T1037 CarbonylContact O-C 3.56Å; F1034-T1037 WeakPolarHBondContact O-CB 3.46Å; F1034-T1037 PolarHBondContact O-N 2.98Å; F1034-T1037 VanDerWaalsContact O-N 3.09Å; F1034-C1038 HydrophobicContact CE1-CB 4.27Å; F1034-C1038 HydrophobicContact CZ-CB 4.46Å; F1034-C1038 WeakPolarHBondContact O-CB 3.4Å; F1034-C1038 PolarHBondContact O-N 3.47Å; F1034-V1070 HydrophobicContact CB-CG1 4.11Å; F1034-I1105 HydrophobicContact CD1-CB 4.08Å; F1034-I1105 HydrophobicContact CD1-CG1 3.86Å; F1034-I1105 HydrophobicContact CD1-CG2 3.84Å; F1034-I1105 HydrophobicContact CD2-CG2 3.64Å; F1034-I1105 HydrophobicContact CE1-CB 3.92Å; F1034-I1105 HydrophobicContact CE1-CG1 4.24Å; F1034-I1105 HydrophobicContact CE1-CG2 3.53Å; F1034-I1105 WeakPolarHBondContact CE1-O 3.38Å; F1034-I1105 HydrophobicContact CE2-CB 4.5Å; F1034-I1105 HydrophobicContact CE2-CG2 3.32Å; F1034-I1105 HydrophobicContact CG-CB 4.42Å; F1034-I1105 HydrophobicContact CG-CD1 4.45Å; F1034-I1105 HydrophobicContact CG-CG1 4.02Å; F1034-I1105 HydrophobicContact CG-CG2 3.88Å; F1034-I1105 HydrophobicContact CZ-CB 4.13Å; F1034-I1105 HydrophobicContact CZ-CG2 3.24Å; F1034-I1105 VanDerWaalsContact CZ-O 3.23Å; F1034-I1105 WeakPolarHBondContact CZ-O 3.5Å; F1034-L1109 HydrophobicContact CZ-CB 4.07Å
1035L92.4Very high90.2Very high0 Ų08 Ų80%05%0.045CC..Hα-helixtrans-57-42.3178.6-73.4-179.2000111.1V924 H992 M1031 S1032 C1038 N1039 D1108V924-L1035 HydrophobicContact CG1-CB 4.15Å; V924-L1035 HydrophobicContact CG1-CD1 3.66Å; V924-L1035 HydrophobicContact CG2-CD1 4.17Å; H992-L1035 HydrophobicContact CB-CD1 4.14Å; H992-L1035 HydrophobicContact CB-CD2 4.06Å; H992-L1035 WeakPolarHBondContact ND1-CD2 3.33Å; M1031-L1035 HydrophobicContact CE-CD1 4.25Å; M1031-L1035 HydrophobicContact CE-CD2 3.63Å; M1031-L1035 HydrophobicContact CE-CG 3.93Å; M1031-L1035 HydrophobicContact CG-CD1 3.94Å; M1031-L1035 HydrophobicContact CG-CG 4.06Å; M1031-L1035 WeakPolarHBondContact O-CB 3.13Å; M1031-L1035 WeakPolarHBondContact O-CG 3.36Å; M1031-L1035 PolarHBondContact O-N 3.16Å; M1031-L1035 HydrophobicContact SD-CG 4.43Å; S1032-L1035 PolarHBondContact O-N 3.31Å; L1035-C1038 WeakPolarHBondContact O-CB 3.32Å; L1035-C1038 PolarHBondContact O-N 3.43Å; L1035-N1039 WeakPolarHBondContact O-CB 3.25Å; L1035-N1039 PolarHBondContact O-N 3.41Å; L1035-N1039 PolarHBondContact O-ND2 2.79Å; L1035-D1108 WeakPolarHBondContact CD2-OD1 3.49Å
1036Q91.3Very high90Very high3 Ų38.3 Ų8.31%0.0145%0.048CC..Hα-helixtrans-63.2-46.1174.5-72.1162.13700112.1N921 S1032 F1034 C1038 N1039 F1040N921-Q1036 HydrophobicContact CB-CG 4.4Å; N921-Q1036 WeakPolarHBondContact OD1-CA 3.5Å; N921-Q1036 WeakPolarHBondContact OD1-CG 3.5Å; S1032-Q1036 VanDerWaalsContact O-CG 3.26Å; S1032-Q1036 WeakPolarHBondContact O-CG 3.27Å; S1032-Q1036 PolarHBondContact O-N 2.85Å; S1032-Q1036 PolarHBondContact O-NE2 2.92Å; F1034-Q1036 VanDerWaalsContact C-N 3.27Å; F1034-Q1036 PolarHBondContact O-N 2.98Å; Q1036-C1038 VanDerWaalsContact C-N 3.3Å; Q1036-C1038 PolarHBondContact O-N 3.07Å; Q1036-N1039 WeakPolarHBondContact O-CB 3.33Å; Q1036-N1039 PolarHBondContact O-N 3.03Å; Q1036-F1040 WeakPolarHBondContact O-CD2 3.43Å; Q1036-F1040 PolarHBondContact O-N 2.92Å; Q1036-F1040 VanDerWaalsContact O-N 3.14Å
1037T91.8Very high89.8Confident9 Ų913.6 Ų13.66%0.0557%0.072CC..Hα-helixtrans-61.1-40.5175.9-58.30000111.3V1033 F1034 F1040 A1041 L1063 S1066V1033-T1037 PolarHBondContact O-N 3.46Å; V1033-T1037 VanDerWaalsContact O-N 3.07Å; V1033-T1037 PolarHBondContact O-OG1 3.36Å; F1034-T1037 CarbonylContact O-C 3.56Å; F1034-T1037 WeakPolarHBondContact O-CB 3.46Å; F1034-T1037 PolarHBondContact O-N 2.98Å; F1034-T1037 VanDerWaalsContact O-N 3.09Å; T1037-F1040 PolarHBondContact O-N 3.49Å; T1037-A1041 WeakPolarHBondContact O-CB 3.4Å; T1037-A1041 PolarHBondContact O-N 3.17Å; T1037-L1063 HydrophobicContact CG2-CB 4.48Å; T1037-L1063 HydrophobicContact CG2-CD2 3.93Å; T1037-S1066 WeakPolarHBondContact CG2-OG 3.45Å; T1037-S1066 PolarHBondContact OG1-OG 3.03Å; T1037-S1066 VanDerWaalsContact OG1-OG 3.12Å
1038C91.8Very high89.5Confident3 Ų315.3 Ų15.32%0.028%0.084CC..Hα-helixtrans-61.8-46.3175.3-178.90000111.2F1034 L1035 Q1036 F1040 A1041 V1042 L1109F1034-C1038 HydrophobicContact CE1-CB 4.27Å; F1034-C1038 HydrophobicContact CZ-CB 4.46Å; F1034-C1038 WeakPolarHBondContact O-CB 3.4Å; F1034-C1038 PolarHBondContact O-N 3.47Å; L1035-C1038 WeakPolarHBondContact O-CB 3.32Å; L1035-C1038 PolarHBondContact O-N 3.43Å; Q1036-C1038 VanDerWaalsContact C-N 3.3Å; Q1036-C1038 PolarHBondContact O-N 3.07Å; C1038-F1040 VanDerWaalsContact C-N 3.28Å; C1038-F1040 PolarHBondContact O-N 2.79Å; C1038-A1041 PolarHBondContact O-N 3.26Å; C1038-V1042 WeakPolarHBondContact O-CB 3.4Å; C1038-V1042 WeakPolarHBondContact O-CG2 3.37Å; C1038-V1042 PolarHBondContact O-N 3.42Å; C1038-L1109 HydrophobicContact CB-CD1 4.34Å; C1038-L1109 WeakPolarHBondContact SG-CD1 3.34Å
1039N93.3Very high89.3Confident0 Ų016.4 Ų16.40%09%0.088CC..Hα-helixtrans-56.2-42.9176.8-75.2-30.7000111.8I917 N921 H992 L1035 Q1036 N1043I917-N1039 HydrophobicContact CG2-CB 4.27Å; N921-N1039 PolarHBondContact OD1-ND2 3.14Å; H992-N1039 PolarHBondContact NE2-OD1 3.4Å; L1035-N1039 WeakPolarHBondContact O-CB 3.25Å; L1035-N1039 PolarHBondContact O-N 3.41Å; L1035-N1039 PolarHBondContact O-ND2 2.79Å; Q1036-N1039 WeakPolarHBondContact O-CB 3.33Å; Q1036-N1039 PolarHBondContact O-N 3.03Å; N1039-N1043 VanDerWaalsContact O-CB 3.24Å; N1039-N1043 WeakPolarHBondContact O-CB 3.35Å; N1039-N1043 PolarHBondContact O-N 3.44Å; N1039-N1043 PolarHBondContact O-ND2 2.75Å
1040F92.2Very high89.1Confident3 Ų315.9 Ų15.91%0.0139%0.087CC..Hα-helixtrans-65.3-45.1174.1-74.9-67.6000112.6I917 L951 C954 F955 I958 Q1036 T1037 C1038 Y1044 L1063I917-F1040 HydrophobicContact CD1-CD1 3.93Å; I917-F1040 HydrophobicContact CD1-CE1 4.44Å; I917-F1040 HydrophobicContact CG2-CD1 3.7Å; I917-F1040 HydrophobicContact CG2-CD2 4.49Å; I917-F1040 HydrophobicContact CG2-CE1 3.62Å; I917-F1040 HydrophobicContact CG2-CE2 4.38Å; I917-F1040 HydrophobicContact CG2-CG 4.17Å; I917-F1040 HydrophobicContact CG2-CZ 3.97Å; L951-F1040 HydrophobicContact CG-CZ 4.32Å; C954-F1040 HydrophobicContact CB-CD1 4.03Å; C954-F1040 HydrophobicContact CB-CD2 3.88Å; C954-F1040 HydrophobicContact CB-CE1 3.72Å; C954-F1040 HydrophobicContact CB-CE2 3.61Å; C954-F1040 HydrophobicContact CB-CG 4.1Å; C954-F1040 HydrophobicContact CB-CZ 3.51Å; F955-F1040 AromaticContact CD1-CE1 3.68Å; F955-F1040 HydrophobicContact CD1-CE1 3.68Å; F955-F1040 HydrophobicContact CD1-CZ 4.24Å; F955-F1040 HydrophobicContact CD2-CE1 4.01Å; F955-F1040 AromaticContact CD2-CZ 3.7Å; F955-F1040 HydrophobicContact CD2-CZ 3.7Å; F955-F1040 AromaticContact CE1-CE1 3.57Å; F955-F1040 HydrophobicContact CE1-CE1 3.57Å; F955-F1040 HydrophobicContact CE1-CZ 4.1Å; F955-F1040 AromaticContact CE2-CE1 3.92Å; F955-F1040 HydrophobicContact CE2-CE1 3.92Å; F955-F1040 AromaticContact CE2-CZ 3.55Å; F955-F1040 HydrophobicContact CE2-CZ 3.55Å; F955-F1040 AromaticContact CG-CE1 3.9Å; F955-F1040 HydrophobicContact CG-CE1 3.9Å; F955-F1040 HydrophobicContact CG-CZ 4.05Å; F955-F1040 AromaticContact CZ-CE1 3.71Å; F955-F1040 HydrophobicContact CZ-CE1 3.71Å; F955-F1040 AromaticContact CZ-CZ 3.76Å; F955-F1040 HydrophobicContact CZ-CZ 3.76Å; I958-F1040 HydrophobicContact CD1-CD1 3.35Å; I958-F1040 HydrophobicContact CD1-CE1 3.73Å; I958-F1040 HydrophobicContact CD1-CG 4.5Å; Q1036-F1040 WeakPolarHBondContact O-CD2 3.43Å; Q1036-F1040 PolarHBondContact O-N 2.92Å; Q1036-F1040 VanDerWaalsContact O-N 3.14Å; T1037-F1040 PolarHBondContact O-N 3.49Å; C1038-F1040 VanDerWaalsContact C-N 3.28Å; C1038-F1040 PolarHBondContact O-N 2.79Å; F1040-Y1044 WeakPolarHBondContact O-CB 3.34Å; F1040-Y1044 PolarHBondContact O-N 3.29Å; F1040-L1063 HydrophobicContact CB-CD2 3.55Å; F1040-L1063 HydrophobicContact CG-CD2 4.34Å
1041A91.1Very high89Confident34 Ų3418 Ų1828%0.28110%0.096SC..Hα-helixtrans-68.8-41.7-175.800000113.3T1037 C1038 L1063T1037-A1041 WeakPolarHBondContact O-CB 3.4Å; T1037-A1041 PolarHBondContact O-N 3.17Å; C1038-A1041 PolarHBondContact O-N 3.26Å; A1041-L1063 HydrophobicContact CB-CD1 4.23Å
1042V89.9Confident88.9Confident10 Ų1019.2 Ų19.26%0.06111%0.105CC..Hα-helixtrans-77.2-41.9-176172.10000111.7C1038 L1109 C1112 D1116C1038-V1042 WeakPolarHBondContact O-CB 3.4Å; C1038-V1042 WeakPolarHBondContact O-CG2 3.37Å; C1038-V1042 PolarHBondContact O-N 3.42Å; V1042-L1109 HydrophobicContact CG2-CD1 3.85Å; V1042-C1112 HydrophobicContact CG1-CB 4.4Å; V1042-C1112 HydrophobicContact CG2-CB 4.36Å; V1042-D1116 HydrophobicContact CG1-CB 3.81Å
1043N90.2Very high88.6Confident0 Ų020.7 Ų20.70%011%0.113CC..Hα-helixtrans-90.5-1.1-169.3-59.9-47.1000114.2K916 I917 L920 Q988 N1039 H1045K916-N1043 HydrophobicContact CD-CB 4.21Å; K916-N1043 WeakPolarHBondContact CE-OD1 3.25Å; K916-N1043 PolarHBondContact NZ-OD1 2.93Å; I917-N1043 HydrophobicContact CD1-CB 4.38Å; I917-N1043 HydrophobicContact CG1-CB 3.84Å; L920-N1043 WeakPolarHBondContact CD1-ND2 3.45Å; Q988-N1043 PolarHBondContact NE2-OD1 2.96Å; Q988-N1043 PolarHBondContact OE1-ND2 3.29Å; Q988-N1043 PolarHBondContact OE1-OD1 2.63Å; Q988-N1043 VanDerWaalsContact OE1-OD1 3.11Å; N1039-N1043 VanDerWaalsContact O-CB 3.24Å; N1039-N1043 WeakPolarHBondContact O-CB 3.35Å; N1039-N1043 PolarHBondContact O-N 3.44Å; N1039-N1043 PolarHBondContact O-ND2 2.75Å; N1043-H1045 PolarHBondContact O-CD2 3.4Å; N1043-H1045 VanDerWaalsContact O-CD2 3.23Å; N1043-H1045 PolarHBondContact O-N 3.09Å
1044Y89.7Confident88.3Confident15 Ų1526.7 Ų26.76%0.05914%0.142CC..  trans-77.8107.8172.6-173.5-91.6000110.9I958 S961 F1040 M1050 E1051 L1053 N1056 L1059I958-Y1044 HydrophobicContact CD1-CD2 4.44Å; I958-Y1044 HydrophobicContact CG1-CD2 4.12Å; I958-Y1044 HydrophobicContact CG1-CE2 4.28Å; S961-Y1044 WeakPolarHBondContact CB-OH 3.23Å; S961-Y1044 WeakPolarHBondContact OG-CE2 3.37Å; S961-Y1044 PolarHBondContact OG-OH 2.63Å; F1040-Y1044 WeakPolarHBondContact O-CB 3.34Å; F1040-Y1044 PolarHBondContact O-N 3.29Å; Y1044-M1050 HydrophobicContact CE2-CE 4.38Å; Y1044-E1051 WeakPolarHBondContact CE1-O 3.28Å; Y1044-E1051 PolarHBondContact OH-O 3.1Å; Y1044-L1053 HydrophobicContact CD1-CB 3.82Å; Y1044-L1053 HydrophobicContact CD1-CD1 3.98Å; Y1044-L1053 HydrophobicContact CE1-CB 4.21Å; Y1044-L1053 HydrophobicContact CE1-CD1 4.43Å; Y1044-L1053 HydrophobicContact CG-CD1 4.27Å; Y1044-N1056 PolarHBondContact OH-ND2 2.93Å; Y1044-L1059 HydrophobicContact CD1-CD2 4.48Å; Y1044-L1059 HydrophobicContact CD2-CD2 3.59Å; Y1044-L1059 HydrophobicContact CE2-CD2 3.62Å; Y1044-L1059 HydrophobicContact CG-CD2 4.03Å
1045H83.4Confident88Confident44 Ų4430.2 Ų30.220%0.20416%0.158CC..  trans-108.7111.7174.5-51.9-99.2000111.3Q913 Y980 N1043 M1050 D1116Q913-H1045 VanDerWaalsContact NE2-CB 3.28Å; Q913-H1045 VanDerWaalsContact NE2-N 3.14Å; Q913-H1045 PolarHBondContact NE2-O 2.72Å; Y980-H1045 PolarHBondContact OH-NE2 3.01Å; N1043-H1045 PolarHBondContact O-CD2 3.4Å; N1043-H1045 VanDerWaalsContact O-CD2 3.23Å; N1043-H1045 PolarHBondContact O-N 3.09Å; H1045-M1050 WeakPolarHBondContact O-CE 3.5Å; H1045-D1116 IonicContact CE1-OD1 3.88Å; H1045-D1116 IonicContact CE1-OD2 3.02Å; H1045-D1116 PolarHBondContact CE1-OD2 3.11Å; H1045-D1116 IonicContact NE2-OD1 3.77Å; H1045-D1116 IonicContact NE2-OD2 2.87Å
1046G83.1Confident87.6Confident7 Ų730.8 Ų30.87%0.07216%0.161CC..  trans-78.9-78.5177.700000114.2F1049 M1050 E1051G1046-F1049 PolarHBondContact O-N 3.29Å; G1046-M1050 CarbonylContact C-O 3.59Å; G1046-M1050 WeakPolarHBondContact CA-O 3.27Å; G1046-M1050 PolarHBondContact O-N 2.8Å; G1046-E1051 WeakPolarHBondContact CA-O 3.42Å
1047H84Confident87.5Confident111 Ų11137 Ų3751%0.51419%0.188SC..THydrogen-bonded Turntrans-63.7145.8-177.4-68.7-71.1000112.1L964 M1050 E1055L964-H1047 WeakPolarHBondContact CD1-ND1 3.48Å; H1047-M1050 PolarHBondContact N-O 2.91Å; H1047-E1055 IonicContact NE2-OE2 2.75Å
1048P82.5Confident87.3Confident40 Ų4039.7 Ų39.726%0.2621%0.207SC..THydrogen-bonded Turncis-97.3165.639.4-38.7000114.5L964 A968 Q970L964-P1048 WeakPolarHBondContact CD1-O 3.29Å; A968-P1048 HydrophobicContact CB-CB 3.66Å; A968-P1048 HydrophobicContact CB-CG 3.78Å; Q970-P1048 HydrophobicContact CB-CG 4.17Å
1049F85.9Confident87.1Confident23 Ų2339.6 Ų39.610%0.10121%0.206CC..THydrogen-bonded Turntrans-107.6-35.7-171.9-53.4-66.7000114R905 V909 L964 A968 Q970 P972 G1046R905-F1049 HydrophobicContact CB-CD1 3.91Å; R905-F1049 HydrophobicContact CB-CG 4.47Å; R905-F1049 HydrophobicContact CG-CD1 4.44Å; V909-F1049 HydrophobicContact CG2-CB 4.37Å; V909-F1049 HydrophobicContact CG2-CD2 3.66Å; V909-F1049 HydrophobicContact CG2-CE2 4.22Å; V909-F1049 HydrophobicContact CG2-CG 4.14Å; L964-F1049 PolarHBondContact N-O 3.24Å; L964-F1049 VanDerWaalsContact N-O 3.08Å; A968-F1049 HydrophobicContact CB-CD1 4.39Å; A968-F1049 HydrophobicContact CB-CE1 4.08Å; Q970-F1049 HydrophobicContact CB-CZ 4.31Å; Q970-F1049 HydrophobicContact CG-CZ 4.38Å; Q970-F1049 WeakPolarHBondContact O-CE1 3.28Å; Q970-F1049 WeakPolarHBondContact O-CZ 3.45Å; P972-F1049 HydrophobicContact CB-CE2 4.08Å; P972-F1049 HydrophobicContact CB-CZ 4.1Å; G1046-F1049 PolarHBondContact O-N 3.29Å
1050M86.2Confident87Confident0 Ų041.2 Ų41.20%022%0.215CC..BIsolated β-bridgetrans-135.6171.5-178.168.5-173.4158.900112V909 K962 Y1044 H1045 G1046 H1047V909-M1050 HydrophobicContact CB-CE 4.48Å; V909-M1050 HydrophobicContact CG1-CE 3.64Å; K962-M1050 VanDerWaalsContact O-CA 3.29Å; K962-M1050 WeakPolarHBondContact O-CA 3.44Å; K962-M1050 WeakPolarHBondContact O-CB 3.4Å; Y1044-M1050 HydrophobicContact CE2-CE 4.38Å; H1045-M1050 WeakPolarHBondContact O-CE 3.5Å; G1046-M1050 CarbonylContact C-O 3.59Å; G1046-M1050 WeakPolarHBondContact CA-O 3.27Å; G1046-M1050 PolarHBondContact O-N 2.8Å; H1047-M1050 PolarHBondContact N-O 2.91Å
1051E87.8Confident86.9Confident49 Ų4948.1 Ų48.123%0.22924%0.242CC..  trans-55.5141.8175.2-72.7178.3174.100111.4K962 Y1044 G1046 E1055K962-E1051 HydrophobicContact CB-CG 4.25Å; K962-E1051 WeakPolarHBondContact CD-OE1 3.39Å; K962-E1051 PolarHBondContact O-N 2.82Å; K962-E1051 VanDerWaalsContact O-N 3.1Å; Y1044-E1051 WeakPolarHBondContact CE1-O 3.28Å; Y1044-E1051 PolarHBondContact OH-O 3.1Å; G1046-E1051 WeakPolarHBondContact CA-O 3.42Å; E1051-E1055 VanDerWaalsContact CA-OE2 3.24Å; E1051-E1055 WeakPolarHBondContact CA-OE2 3.43Å; E1051-E1055 HydrophobicContact CB-CB 3.9Å; E1051-E1055 HydrophobicContact CG-CB 4.29Å
1052S87.5Confident86.8Confident26 Ų2647.4 Ų47.418%0.18224%0.235CC..  trans-71.1165.2174.7720000111.9M1054 E1055 N1056S1052-M1054 PolarHBondContact O-N 3.37Å; S1052-M1054 VanDerWaalsContact O-N 3.13Å; S1052-E1055 PolarHBondContact N-OE2 2.83Å; S1052-E1055 PolarHBondContact O-N 2.98Å; S1052-E1055 WeakPolarHBondContact OG-CG 3.25Å; S1052-N1056 PolarHBondContact O-N 3.09Å
1053L84.1Confident86.8Confident32 Ų3247.5 Ų47.517%0.16824%0.235CC..THydrogen-bonded Turntrans-56-33.6178.7-172.962.7000112.3Y1044 L1059 L1063Y1044-L1053 HydrophobicContact CD1-CB 3.82Å; Y1044-L1053 HydrophobicContact CD1-CD1 3.98Å; Y1044-L1053 HydrophobicContact CE1-CB 4.21Å; Y1044-L1053 HydrophobicContact CE1-CD1 4.43Å; Y1044-L1053 HydrophobicContact CG-CD1 4.27Å; L1053-L1059 HydrophobicContact CD1-CB 4.46Å; L1053-L1059 HydrophobicContact CD1-CD2 3.55Å; L1053-L1059 HydrophobicContact CD1-CG 3.8Å; L1053-L1063 HydrophobicContact CD1-CD1 3.86Å; L1053-L1063 HydrophobicContact CD2-CD1 4.41Å
1054M84.9Confident86.8Confident137 Ų13752.8 Ų52.868%0.67526%0.263SS*.THydrogen-bonded Turntrans-75.5-26.5179.5-63-63.3165.300112.7S1052 L1060S1052-M1054 PolarHBondContact O-N 3.37Å; S1052-M1054 VanDerWaalsContact O-N 3.13Å; M1054-L1060 HydrophobicContact SD-CD1 4.32Å; M1054-L1060 HydrophobicContact SD-CD2 4.22Å
1055E84.7Confident86.8Confident89 Ų8957.6 Ų57.642%0.41629%0.289SS..THydrogen-bonded Turntrans-80.9-35.8175.6-69.1170.3162.100111H1047 E1051 S1052 K1057H1047-E1055 IonicContact NE2-OE2 2.75Å; E1051-E1055 VanDerWaalsContact CA-OE2 3.24Å; E1051-E1055 WeakPolarHBondContact CA-OE2 3.43Å; E1051-E1055 HydrophobicContact CB-CB 3.9Å; E1051-E1055 HydrophobicContact CG-CB 4.29Å; S1052-E1055 PolarHBondContact N-OE2 2.83Å; S1052-E1055 PolarHBondContact O-N 2.98Å; S1052-E1055 WeakPolarHBondContact OG-CG 3.25Å; E1055-K1057 VanDerWaalsContact C-N 3.32Å; E1055-K1057 PolarHBondContact O-N 2.74Å
1056N85.1Confident87.1Confident11 Ų1155.8 Ų55.86%0.05928%0.281CS..  trans-78.278.1175-169.6-11.8000111.9S961 Y1044 S1052 S1058 L1059 L1060S961-N1056 PolarHBondContact OG-ND2 3.19Å; Y1044-N1056 PolarHBondContact OH-ND2 2.93Å; S1052-N1056 PolarHBondContact O-N 3.09Å; N1056-S1058 PolarHBondContact O-N 3.29Å; N1056-S1058 PolarHBondContact OD1-N 3.26Å; N1056-L1059 HydrophobicContact CB-CB 4.35Å; N1056-L1059 PolarHBondContact O-N 3.08Å; N1056-L1059 PolarHBondContact OD1-N 3.4Å; N1056-L1060 PolarHBondContact O-N 3.15Å
1057K87.8Confident87.3Confident134 Ų13456.1 Ų56.158%0.58328%0.284SS*.Hα-helixtrans-54.5-35.8-179.2-63.9-177.8-177.8179.80113.6E1055 Y1061E1055-K1057 VanDerWaalsContact C-N 3.32Å; E1055-K1057 PolarHBondContact O-N 2.74Å; K1057-Y1061 HydrophobicContact CB-CD2 4.33Å; K1057-Y1061 HydrophobicContact CB-CE2 3.97Å; K1057-Y1061 WeakPolarHBondContact O-CB 3.39Å; K1057-Y1061 WeakPolarHBondContact O-CD2 3.38Å; K1057-Y1061 VanDerWaalsContact O-CG 3.27Å; K1057-Y1061 PolarHBondContact O-N 3.16Å
1058S88Confident87.5Confident66 Ų6652.2 Ų52.246%0.46228%0.275SS..Hα-helixtrans-65.1-48.8-178.6-57.20000111.5N1056 S1062N1056-S1058 PolarHBondContact O-N 3.29Å; N1056-S1058 PolarHBondContact OD1-N 3.26Å; S1058-S1062 WeakPolarHBondContact O-CB 3.48Å; S1058-S1062 PolarHBondContact O-N 3.37Å; S1058-S1062 VanDerWaalsContact O-N 3.1Å
1059L88.4Confident87.7Confident0 Ų053.1 Ų53.10%028%0.277CS..Hα-helixtrans-65.9-43.4177.1-178.560.7000110.9F957 I958 Y1044 L1053 N1056 Y1061 S1062 L1063F957-L1059 HydrophobicContact CB-CB 4.16Å; F957-L1059 HydrophobicContact CB-CD1 4.11Å; I958-L1059 HydrophobicContact CD1-CD1 4.46Å; I958-L1059 HydrophobicContact CD1-CD2 4.44Å; I958-L1059 HydrophobicContact CG1-CD1 3.89Å; I958-L1059 HydrophobicContact CG1-CD2 3.67Å; I958-L1059 HydrophobicContact CG1-CG 4.44Å; Y1044-L1059 HydrophobicContact CD1-CD2 4.48Å; Y1044-L1059 HydrophobicContact CD2-CD2 3.59Å; Y1044-L1059 HydrophobicContact CE2-CD2 3.62Å; Y1044-L1059 HydrophobicContact CG-CD2 4.03Å; L1053-L1059 HydrophobicContact CD1-CB 4.46Å; L1053-L1059 HydrophobicContact CD1-CD2 3.55Å; L1053-L1059 HydrophobicContact CD1-CG 3.8Å; N1056-L1059 HydrophobicContact CB-CB 4.35Å; N1056-L1059 PolarHBondContact O-N 3.08Å; N1056-L1059 PolarHBondContact OD1-N 3.4Å; L1059-Y1061 PolarHBondContact O-N 3.01Å; L1059-S1062 WeakPolarHBondContact O-CB 3.41Å; L1059-S1062 PolarHBondContact O-N 3.39Å; L1059-L1063 HydrophobicContact CD1-CD1 4.13Å; L1059-L1063 HydrophobicContact CD1-CG 4.15Å; L1059-L1063 HydrophobicContact CG-CD1 3.95Å; L1059-L1063 HydrophobicContact CG-CG 4.39Å; L1059-L1063 WeakPolarHBondContact O-CG 3.42Å; L1059-L1063 PolarHBondContact O-N 2.94Å
1060L90.3Very high87.8Confident35 Ų3552.2 Ų52.218%0.18327%0.273CS..Hα-helixtrans-58.4-48.2178.4-176.965.2000112M1054 N1056 S1062 L1063 L1064M1054-L1060 HydrophobicContact SD-CD1 4.32Å; M1054-L1060 HydrophobicContact SD-CD2 4.22Å; N1056-L1060 PolarHBondContact O-N 3.15Å; L1060-S1062 VanDerWaalsContact C-N 3.33Å; L1060-S1062 PolarHBondContact O-N 3.18Å; L1060-L1063 PolarHBondContact O-N 3.49Å; L1060-L1064 HydrophobicContact CD1-CD1 4.16Å; L1060-L1064 HydrophobicContact CD1-CG 4.26Å; L1060-L1064 HydrophobicContact CG-CD1 3.93Å; L1060-L1064 HydrophobicContact CG-CG 4.41Å; L1060-L1064 WeakPolarHBondContact O-CB 3.46Å; L1060-L1064 VanDerWaalsContact O-CG 3.25Å; L1060-L1064 WeakPolarHBondContact O-CG 3.35Å; L1060-L1064 PolarHBondContact O-N 3.48Å
1061Y90.2Very high87.8Confident148 Ų14855.2 Ų55.258%0.5829%0.291SS*.Hα-helixtrans-65.6-36.3177.9-66.9-41.9000112.5K1057 L1059 L1065K1057-Y1061 HydrophobicContact CB-CD2 4.33Å; K1057-Y1061 HydrophobicContact CB-CE2 3.97Å; K1057-Y1061 WeakPolarHBondContact O-CB 3.39Å; K1057-Y1061 WeakPolarHBondContact O-CD2 3.38Å; K1057-Y1061 VanDerWaalsContact O-CG 3.27Å; K1057-Y1061 PolarHBondContact O-N 3.16Å; L1059-Y1061 PolarHBondContact O-N 3.01Å; Y1061-L1065 WeakPolarHBondContact O-CB 3.47Å; Y1061-L1065 PolarHBondContact O-N 2.71Å
1062S88.7Confident87.7Confident18 Ų1854.8 Ų54.813%0.12629%0.292CS..Hα-helixtrans-62.2-45.2174.9-168.60000111.8S1058 L1059 L1060 L1065 S1066S1058-S1062 WeakPolarHBondContact O-CB 3.48Å; S1058-S1062 PolarHBondContact O-N 3.37Å; S1058-S1062 VanDerWaalsContact O-N 3.1Å; L1059-S1062 WeakPolarHBondContact O-CB 3.41Å; L1059-S1062 PolarHBondContact O-N 3.39Å; L1060-S1062 VanDerWaalsContact C-N 3.33Å; L1060-S1062 PolarHBondContact O-N 3.18Å; S1062-L1065 PolarHBondContact O-N 3.29Å; S1062-S1066 PolarHBondContact O-N 3.32Å; S1062-S1066 PolarHBondContact O-OG 3.23Å
1063L90.4Very high87.6Confident13 Ų1354 Ų547%0.06829%0.286CS..Hα-helixtrans-70.8-38.3179.4-66.6172.7000112.6T1037 F1040 A1041 L1053 L1059 L1060 L1065 S1066 G1067T1037-L1063 HydrophobicContact CG2-CB 4.48Å; T1037-L1063 HydrophobicContact CG2-CD2 3.93Å; F1040-L1063 HydrophobicContact CB-CD2 3.55Å; F1040-L1063 HydrophobicContact CG-CD2 4.34Å; A1041-L1063 HydrophobicContact CB-CD1 4.23Å; L1053-L1063 HydrophobicContact CD1-CD1 3.86Å; L1053-L1063 HydrophobicContact CD2-CD1 4.41Å; L1059-L1063 HydrophobicContact CD1-CD1 4.13Å; L1059-L1063 HydrophobicContact CD1-CG 4.15Å; L1059-L1063 HydrophobicContact CG-CD1 3.95Å; L1059-L1063 HydrophobicContact CG-CG 4.39Å; L1059-L1063 WeakPolarHBondContact O-CG 3.42Å; L1059-L1063 PolarHBondContact O-N 2.94Å; L1060-L1063 PolarHBondContact O-N 3.49Å; L1063-L1065 VanDerWaalsContact C-N 3.32Å; L1063-S1066 PolarHBondContact O-OG 3.4Å; L1063-G1067 PolarHBondContact O-N 3.02Å
1064L90.9Very high87.6Confident111 Ų11152.6 Ų52.658%0.58128%0.278SS*.Hα-helixtrans-66.5-36.9174.5-71.7175.7000111.4L1060 G1068L1060-L1064 HydrophobicContact CD1-CD1 4.16Å; L1060-L1064 HydrophobicContact CD1-CG 4.26Å; L1060-L1064 HydrophobicContact CG-CD1 3.93Å; L1060-L1064 HydrophobicContact CG-CG 4.41Å; L1060-L1064 WeakPolarHBondContact O-CB 3.46Å; L1060-L1064 VanDerWaalsContact O-CG 3.25Å; L1060-L1064 WeakPolarHBondContact O-CG 3.35Å; L1060-L1064 PolarHBondContact O-N 3.48Å; L1064-G1068 WeakPolarHBondContact O-CA 3.43Å; L1064-G1068 PolarHBondContact O-N 3.31Å
1065L89.9Confident87.5Confident115 Ų11546.7 Ų46.760%0.60225%0.251SS*.Hα-helixtrans-67.2-50.5175-179.663.1000111Y1061 S1062 L1063 G1068 I1069Y1061-L1065 WeakPolarHBondContact O-CB 3.47Å; Y1061-L1065 PolarHBondContact O-N 2.71Å; S1062-L1065 PolarHBondContact O-N 3.29Å; L1063-L1065 VanDerWaalsContact C-N 3.32Å; L1065-G1068 PolarHBondContact O-N 2.92Å; L1065-I1069 HydrophobicContact CD1-CD1 4.02Å; L1065-I1069 HydrophobicContact CD1-CG1 4.38Å; L1065-I1069 HydrophobicContact CG-CD1 3.99Å; L1065-I1069 VanDerWaalsContact O-CG1 3.23Å; L1065-I1069 WeakPolarHBondContact O-CG1 3.42Å; L1065-I1069 PolarHBondContact O-N 3.12Å
1066S88.2Confident87.3Confident6 Ų644.9 Ų44.94%0.04226%0.256CS..Hα-helixtrans-65.6-46.2-179.268.10000112.2T1037 S1062 L1063 G1068 I1069 V1070T1037-S1066 WeakPolarHBondContact CG2-OG 3.45Å; T1037-S1066 PolarHBondContact OG1-OG 3.03Å; T1037-S1066 VanDerWaalsContact OG1-OG 3.12Å; S1062-S1066 PolarHBondContact O-N 3.32Å; S1062-S1066 PolarHBondContact O-OG 3.23Å; L1063-S1066 PolarHBondContact O-OG 3.4Å; S1066-G1068 VanDerWaalsContact C-N 3.33Å; S1066-G1068 PolarHBondContact O-N 3.43Å; S1066-I1069 PolarHBondContact O-N 3.48Å; S1066-V1070 WeakPolarHBondContact O-CG2 3.28Å; S1066-V1070 PolarHBondContact O-N 3.06Å; S1066-V1070 VanDerWaalsContact O-N 3.1Å
1067G87.9Confident87Confident14 Ų1452 Ų5214%0.14429%0.287CS..Hα-helixtrans-62.4-40.2174.600000112.1L1063 V1070 V1071L1063-G1067 PolarHBondContact O-N 3.02Å; G1067-V1070 PolarHBondContact O-N 3.03Å; G1067-V1071 WeakPolarHBondContact O-CG2 3.4Å; G1067-V1071 PolarHBondContact O-N 3.38Å
1068G88.1Confident86.6Confident30 Ų3049.7 Ų49.731%0.30928%0.28SS..Hα-helixtrans-63.2-41.4175.300000113L1064 L1065 S1066 V1071 T1072L1064-G1068 WeakPolarHBondContact O-CA 3.43Å; L1064-G1068 PolarHBondContact O-N 3.31Å; L1065-G1068 PolarHBondContact O-N 2.92Å; S1066-G1068 VanDerWaalsContact C-N 3.33Å; S1066-G1068 PolarHBondContact O-N 3.43Å; G1068-V1071 PolarHBondContact O-N 2.9Å; G1068-T1072 WeakPolarHBondContact O-CB 3.42Å; G1068-T1072 VanDerWaalsContact O-CG2 3.22Å; G1068-T1072 WeakPolarHBondContact O-CG2 3.22Å; G1068-T1072 PolarHBondContact O-N 3.13Å; G1068-T1072 PolarHBondContact O-OG1 2.99Å
1069I87.2Confident86Confident58 Ų5850.7 Ų50.730%0.29729%0.285SS..Hα-helixtrans-61.6-45.8175.1-70.7164.1000110.4L1065 S1066 V1071 T1072 I1073L1065-I1069 HydrophobicContact CD1-CD1 4.02Å; L1065-I1069 HydrophobicContact CD1-CG1 4.38Å; L1065-I1069 HydrophobicContact CG-CD1 3.99Å; L1065-I1069 VanDerWaalsContact O-CG1 3.23Å; L1065-I1069 WeakPolarHBondContact O-CG1 3.42Å; L1065-I1069 PolarHBondContact O-N 3.12Å; S1066-I1069 PolarHBondContact O-N 3.48Å; I1069-V1071 PolarHBondContact O-N 3.44Å; I1069-T1072 WeakPolarHBondContact CA-OG1 3.45Å; I1069-T1072 PolarHBondContact O-N 2.93Å; I1069-T1072 PolarHBondContact O-OG1 2.84Å; I1069-I1073 HydrophobicContact CG2-CD1 3.68Å; I1069-I1073 HydrophobicContact CG2-CG1 4.44Å; I1069-I1073 WeakPolarHBondContact O-CB 3.37Å; I1069-I1073 VanDerWaalsContact O-CG1 3.25Å; I1069-I1073 WeakPolarHBondContact O-CG1 3.39Å; I1069-I1073 PolarHBondContact O-N 2.87Å
1070V87.1Confident85.5Confident4 Ų458.1 Ų58.12%0.02432%0.319CS..Hα-helixtrans-64.1-45.2178.8-1800000111.5L1030 V1033 F1034 S1066 G1067 T1072 I1073 A1074L1030-V1070 HydrophobicContact CB-CG1 4.41Å; L1030-V1070 HydrophobicContact CD2-CG1 4.25Å; V1033-V1070 HydrophobicContact CB-CG2 4.03Å; V1033-V1070 HydrophobicContact CG1-CG2 3.53Å; F1034-V1070 HydrophobicContact CB-CG1 4.11Å; S1066-V1070 WeakPolarHBondContact O-CG2 3.28Å; S1066-V1070 PolarHBondContact O-N 3.06Å; S1066-V1070 VanDerWaalsContact O-N 3.1Å; G1067-V1070 PolarHBondContact O-N 3.03Å; V1070-T1072 PolarHBondContact O-N 2.85Å; V1070-I1073 PolarHBondContact O-N 2.8Å; V1070-A1074 VanDerWaalsContact O-CB 3.22Å; V1070-A1074 WeakPolarHBondContact O-CB 3.46Å; V1070-A1074 PolarHBondContact O-N 3.37Å
1071V87Confident84.8Confident63 Ų6358.3 Ų58.338%0.38232%0.32SS..Hα-helixtrans-65.8-38.1179.71730000111.5G1067 G1068 I1069 A1074 A1075 L1102G1067-V1071 WeakPolarHBondContact O-CG2 3.4Å; G1067-V1071 PolarHBondContact O-N 3.38Å; G1068-V1071 PolarHBondContact O-N 2.9Å; I1069-V1071 PolarHBondContact O-N 3.44Å; V1071-A1074 PolarHBondContact O-N 2.62Å; V1071-A1075 WeakPolarHBondContact O-CB 3.49Å; V1071-A1075 PolarHBondContact O-N 2.83Å; V1071-L1102 HydrophobicContact CG1-CD2 4.4Å
1072T86.3Confident84.3Confident40 Ų4051.6 Ų51.625%0.24529%0.294CS..Hα-helixtrans-69.5-38.3178.249.80000112.5G1068 I1069 V1070 G1076 F1077G1068-T1072 WeakPolarHBondContact O-CB 3.42Å; G1068-T1072 VanDerWaalsContact O-CG2 3.22Å; G1068-T1072 WeakPolarHBondContact O-CG2 3.22Å; G1068-T1072 PolarHBondContact O-N 3.13Å; G1068-T1072 PolarHBondContact O-OG1 2.99Å; I1069-T1072 WeakPolarHBondContact CA-OG1 3.45Å; I1069-T1072 PolarHBondContact O-N 2.93Å; I1069-T1072 PolarHBondContact O-OG1 2.84Å; V1070-T1072 PolarHBondContact O-N 2.85Å; T1072-G1076 PolarHBondContact O-N 2.92Å; T1072-G1076 VanDerWaalsContact O-N 3.12Å; T1072-F1077 PolarHBondContact O-N 2.8Å
1073I85Confident83.7Confident11 Ų1155.8 Ų55.86%0.05632%0.319CS..Hα-helixtrans-66.7-48.4172.4-66.7169.1000110.4L1030 I1069 V1070 A1075 G1076 M1081 V1082 F1085 L1087L1030-I1073 HydrophobicContact CD1-CG2 4.06Å; L1030-I1073 HydrophobicContact CD2-CB 4.03Å; L1030-I1073 HydrophobicContact CD2-CG2 3.58Å; L1030-I1073 HydrophobicContact CG-CG2 4.42Å; I1069-I1073 HydrophobicContact CG2-CD1 3.68Å; I1069-I1073 HydrophobicContact CG2-CG1 4.44Å; I1069-I1073 WeakPolarHBondContact O-CB 3.37Å; I1069-I1073 VanDerWaalsContact O-CG1 3.25Å; I1069-I1073 WeakPolarHBondContact O-CG1 3.39Å; I1069-I1073 PolarHBondContact O-N 2.87Å; V1070-I1073 PolarHBondContact O-N 2.8Å; I1073-A1075 VanDerWaalsContact C-N 3.3Å; I1073-A1075 PolarHBondContact O-N 2.77Å; I1073-G1076 PolarHBondContact O-N 2.83Å; I1073-M1081 HydrophobicContact CD1-CE 4.46Å; I1073-M1081 HydrophobicContact CG1-CE 4.01Å; I1073-V1082 HydrophobicContact CG2-CG2 3.98Å; I1073-F1085 HydrophobicContact CD1-CD2 3.96Å; I1073-F1085 HydrophobicContact CD1-CE2 4.12Å; I1073-L1087 HydrophobicContact CG2-CD1 4.18Å
1074A83.3Confident83.2Confident1 Ų158.8 Ų58.81%0.00834%0.341CS..Hα-helixtrans-63.8-33.4179.100000112.7V1070 V1071 G1076 L1090 R1098 L1102V1070-A1074 VanDerWaalsContact O-CB 3.22Å; V1070-A1074 WeakPolarHBondContact O-CB 3.46Å; V1070-A1074 PolarHBondContact O-N 3.37Å; V1071-A1074 PolarHBondContact O-N 2.62Å; A1074-G1076 VanDerWaalsContact C-N 3.3Å; A1074-L1090 HydrophobicContact CB-CD1 4.29Å; A1074-L1090 WeakPolarHBondContact O-CD1 3.14Å; A1074-R1098 VanDerWaalsContact O-CD 3.32Å; A1074-R1098 WeakPolarHBondContact O-CD 3.36Å; A1074-R1098 VanDerWaalsContact O-CG 3.23Å; A1074-R1098 WeakPolarHBondContact O-CG 3.44Å; A1074-L1102 HydrophobicContact CB-CD2 4.07Å
1075A83.8Confident82.6Confident13 Ų1355.3 Ų55.311%0.10732%0.321CS..Hα-helixtrans-73.9-22.1173.600000112.8V1071 I1073 F1077 R1098V1071-A1075 WeakPolarHBondContact O-CB 3.49Å; V1071-A1075 PolarHBondContact O-N 2.83Å; I1073-A1075 VanDerWaalsContact C-N 3.3Å; I1073-A1075 PolarHBondContact O-N 2.77Å; A1075-F1077 HydrophobicContact CB-CD2 3.51Å; A1075-F1077 HydrophobicContact CB-CE2 3.45Å; A1075-F1077 VanDerWaalsContact CB-CE2 3.45Å; A1075-F1077 HydrophobicContact CB-CG 4.29Å; A1075-F1077 HydrophobicContact CB-CZ 4.19Å; A1075-R1098 PolarHBondContact O-NH1 2.89Å
1076G78.9Confident82.1Confident51 Ų5153.4 Ų53.453%0.52631%0.309SS..THydrogen-bonded Turntrans8126.2-177.900000114T1072 I1073 A1074T1072-G1076 PolarHBondContact O-N 2.92Å; T1072-G1076 VanDerWaalsContact O-N 3.12Å; I1073-G1076 PolarHBondContact O-N 2.83Å; A1074-G1076 VanDerWaalsContact C-N 3.3Å
1077F80.6Confident81.7Confident160 Ų16053.6 Ų53.670%0.70231%0.31SS*.SBendtrans-76-25.2-179.5-69.9-54.1000113.6T1072 A1075T1072-F1077 PolarHBondContact O-N 2.8Å; A1075-F1077 HydrophobicContact CB-CD2 3.51Å; A1075-F1077 HydrophobicContact CB-CE2 3.45Å; A1075-F1077 VanDerWaalsContact CB-CE2 3.45Å; A1075-F1077 HydrophobicContact CB-CG 4.29Å; A1075-F1077 HydrophobicContact CB-CZ 4.19Å
1078M78.5Confident81.2Confident87 Ų8755 Ų5543%0.42932%0.316SS..  trans-130.486-174.5-69.3-170.773.400111.7E1080 M1081M1078-E1080 VanDerWaalsContact C-N 3.31Å; M1078-E1080 PolarHBondContact O-N 2.82Å; M1078-M1081 HydrophobicContact CB-CB 4.44Å; M1078-M1081 HydrophobicContact CB-CE 3.69Å; M1078-M1081 HydrophobicContact CB-CG 4.38Å; M1078-M1081 HydrophobicContact CE-CE 4.14Å; M1078-M1081 HydrophobicContact CE-CG 4.12Å; M1078-M1081 HydrophobicContact CE-SD 4.12Å; M1078-M1081 HydrophobicContact CG-CE 4.13Å; M1078-M1081 PolarHBondContact O-N 2.79Å; M1078-M1081 HydrophobicContact SD-CE 3.51Å; M1078-M1081 VanDerWaalsContact SD-CE 3.51Å; M1078-M1081 HydrophobicContact SD-SD 4.22Å
1079P75.9Confident80.6Confident87 Ų8757.7 Ų57.757%0.56533%0.328SS*.Hα-helixtrans-67.9-27.5-179.126.4-33.7000113.5M1081 V1082 T1083P1079-M1081 VanDerWaalsContact C-N 3.32Å; P1079-M1081 PolarHBondContact O-N 3.34Å; P1079-V1082 WeakPolarHBondContact O-CB 3.34Å; P1079-V1082 PolarHBondContact O-N 2.86Å; P1079-T1083 PolarHBondContact O-N 2.79Å
1080E78.2Confident80Confident156 Ų15655.8 Ų55.873%0.72932%0.318SS*.Hα-helixtrans-61.2-40.8176.7-65179.8176.900111.8M1078 V1082 T1083 S1084M1078-E1080 VanDerWaalsContact C-N 3.31Å; M1078-E1080 PolarHBondContact O-N 2.82Å; E1080-V1082 VanDerWaalsContact C-N 3.33Å; E1080-V1082 PolarHBondContact O-N 3.08Å; E1080-T1083 PolarHBondContact O-N 3Å; E1080-T1083 PolarHBondContact O-OG1 2.82Å; E1080-S1084 PolarHBondContact O-N 2.97Å; E1080-S1084 VanDerWaalsContact O-N 3.12Å
1081M75.7Confident79.1Confident39 Ų3957.5 Ų57.519%0.19233%0.329CS..Hα-helixtrans-66.8-36.1176.3-71.6-161.9-5300112.1I1073 M1078 P1079 T1083 S1084 F1085I1073-M1081 HydrophobicContact CD1-CE 4.46Å; I1073-M1081 HydrophobicContact CG1-CE 4.01Å; M1078-M1081 HydrophobicContact CB-CB 4.44Å; M1078-M1081 HydrophobicContact CB-CE 3.69Å; M1078-M1081 HydrophobicContact CB-CG 4.38Å; M1078-M1081 HydrophobicContact CE-CE 4.14Å; M1078-M1081 HydrophobicContact CE-CG 4.12Å; M1078-M1081 HydrophobicContact CE-SD 4.12Å; M1078-M1081 HydrophobicContact CG-CE 4.13Å; M1078-M1081 PolarHBondContact O-N 2.79Å; M1078-M1081 HydrophobicContact SD-CE 3.51Å; M1078-M1081 VanDerWaalsContact SD-CE 3.51Å; M1078-M1081 HydrophobicContact SD-SD 4.22Å; P1079-M1081 VanDerWaalsContact C-N 3.32Å; P1079-M1081 PolarHBondContact O-N 3.34Å; M1081-T1083 VanDerWaalsContact C-N 3.26Å; M1081-T1083 PolarHBondContact O-N 2.86Å; M1081-S1084 WeakPolarHBondContact CA-OG 3.38Å; M1081-S1084 PolarHBondContact O-N 2.9Å; M1081-S1084 PolarHBondContact O-OG 3.05Å; M1081-F1085 HydrophobicContact CB-CD2 4.29Å; M1081-F1085 HydrophobicContact CB-CE2 4.26Å; M1081-F1085 WeakPolarHBondContact O-CD2 3.34Å; M1081-F1085 PolarHBondContact O-N 2.93Å
1082V78.1Confident78Confident6 Ų657.6 Ų57.64%0.03634%0.336CS..Hα-helixtrans-57.5-44.6176.51740000109.9I1073 P1079 E1080 F1085 E1086 L1087 P1089I1073-V1082 HydrophobicContact CG2-CG2 3.98Å; P1079-V1082 WeakPolarHBondContact O-CB 3.34Å; P1079-V1082 PolarHBondContact O-N 2.86Å; E1080-V1082 VanDerWaalsContact C-N 3.33Å; E1080-V1082 PolarHBondContact O-N 3.08Å; V1082-F1085 PolarHBondContact O-N 2.84Å; V1082-E1086 PolarHBondContact O-N 2.88Å; V1082-L1087 HydrophobicContact CG1-CB 3.82Å; V1082-L1087 WeakPolarHBondContact CG1-O 3.32Å; V1082-L1087 PolarHBondContact O-N 3.05Å; V1082-P1089 HydrophobicContact CG1-CB 4.41Å
1083T77.5Confident76.7Confident107 Ų10764.8 Ų64.866%0.65637%0.367SS*.Hα-helixtrans-68.4-37.6177.154.50000113.5P1079 E1080 M1081 F1085 E1086P1079-T1083 PolarHBondContact O-N 2.79Å; E1080-T1083 PolarHBondContact O-N 3Å; E1080-T1083 PolarHBondContact O-OG1 2.82Å; M1081-T1083 VanDerWaalsContact C-N 3.26Å; M1081-T1083 PolarHBondContact O-N 2.86Å; T1083-F1085 VanDerWaalsContact C-N 3.3Å; T1083-F1085 PolarHBondContact O-N 2.85Å; T1083-E1086 PolarHBondContact O-N 2.85Å; T1083-E1086 VanDerWaalsContact O-N 3.17Å
1084S78.9Confident75.7Confident75 Ų7566.9 Ų66.952%0.52438%0.38SS..Hα-helixtrans-69.2-27.7178.662.50000113.5E1080 M1081 E1086E1080-S1084 PolarHBondContact O-N 2.97Å; E1080-S1084 VanDerWaalsContact O-N 3.12Å; M1081-S1084 WeakPolarHBondContact CA-OG 3.38Å; M1081-S1084 PolarHBondContact O-N 2.9Å; M1081-S1084 PolarHBondContact O-OG 3.05Å; S1084-E1086 VanDerWaalsContact C-N 3.31Å
1085F79.4Confident74.7Confident38 Ų3873.1 Ų73.117%0.16741%0.407CS..THydrogen-bonded Turntrans-90.87.1175-70.5-61.8000113.1Q943 V946 I1073 M1081 V1082 T1083 L1087Q943-F1085 WeakPolarHBondContact CG-O 3.39Å; Q943-F1085 PolarHBondContact NE2-O 2.94Å; V946-F1085 HydrophobicContact CB-CE1 4.26Å; V946-F1085 HydrophobicContact CG1-CE1 3.78Å; V946-F1085 HydrophobicContact CG2-CD1 4.22Å; V946-F1085 HydrophobicContact CG2-CE1 3.76Å; I1073-F1085 HydrophobicContact CD1-CD2 3.96Å; I1073-F1085 HydrophobicContact CD1-CE2 4.12Å; M1081-F1085 HydrophobicContact CB-CD2 4.29Å; M1081-F1085 HydrophobicContact CB-CE2 4.26Å; M1081-F1085 WeakPolarHBondContact O-CD2 3.34Å; M1081-F1085 PolarHBondContact O-N 2.93Å; V1082-F1085 PolarHBondContact O-N 2.84Å; T1083-F1085 VanDerWaalsContact C-N 3.3Å; T1083-F1085 PolarHBondContact O-N 2.85Å; F1085-L1087 VanDerWaalsContact C-N 3.28Å; F1085-L1087 HydrophobicContact CB-CD1 3.66Å; F1085-L1087 HydrophobicContact CB-CG 3.85Å; F1085-L1087 PolarHBondContact O-N 3.26Å
1086E78.1Confident74.3Confident76 Ų7675.6 Ų75.636%0.35543%0.428SS..THydrogen-bonded Turntrans52.846.9-177.2-53.9178.1169.900112S940 Q943 F1019 P1021 V1082 T1083 S1084S940-E1086 WeakPolarHBondContact CB-OE2 3.47Å; S940-E1086 PolarHBondContact OG-OE2 3.35Å; Q943-E1086 PolarHBondContact NE2-O 2.76Å; F1019-E1086 HydrophobicContact CE1-CB 3.91Å; P1021-E1086 VanDerWaalsContact CB-O 3.29Å; P1021-E1086 WeakPolarHBondContact CB-O 3.45Å; V1082-E1086 PolarHBondContact O-N 2.88Å; T1083-E1086 PolarHBondContact O-N 2.85Å; T1083-E1086 VanDerWaalsContact O-N 3.17Å; S1084-E1086 VanDerWaalsContact C-N 3.31Å
1087L80.9Confident74.3Confident10 Ų1073.5 Ų73.55%0.05240%0.404CS..  trans-107.5157179.8-65.6170.2000110.8T1026 Y1029 L1030 I1073 V1082 F1085T1026-L1087 HydrophobicContact CG2-CB 4.13Å; T1026-L1087 HydrophobicContact CG2-CD2 3.98Å; Y1029-L1087 HydrophobicContact CD1-CD1 4.05Å; Y1029-L1087 HydrophobicContact CD1-CD2 3.61Å; Y1029-L1087 HydrophobicContact CD1-CG 4.38Å; Y1029-L1087 HydrophobicContact CE1-CD1 4.14Å; Y1029-L1087 HydrophobicContact CE1-CD2 4.32Å; Y1029-L1087 HydrophobicContact CG-CD2 4.25Å; L1030-L1087 HydrophobicContact CD2-CD1 4.34Å; I1073-L1087 HydrophobicContact CG2-CD1 4.18Å; V1082-L1087 HydrophobicContact CG1-CB 3.82Å; V1082-L1087 WeakPolarHBondContact CG1-O 3.32Å; V1082-L1087 PolarHBondContact O-N 3.05Å; F1085-L1087 VanDerWaalsContact C-N 3.28Å; F1085-L1087 HydrophobicContact CB-CD1 3.66Å; F1085-L1087 HydrophobicContact CB-CG 3.85Å; F1085-L1087 PolarHBondContact O-N 3.26Å
1088V77.6Confident74.3Confident44 Ų4469.5 Ų69.527%0.26738%0.384SS..PPolyproline II helixtrans-93.2132.2169.5-176.90000108.5P1021 T1026 L1090P1021-V1088 VanDerWaalsContact C-CG2 3.45Å; P1021-V1088 HydrophobicContact CB-CG2 3.87Å; P1021-V1088 HydrophobicContact CG-CG2 4.32Å; P1021-V1088 WeakPolarHBondContact O-CG2 3.16Å; T1026-V1088 VanDerWaalsContact CG2-O 3.25Å; T1026-V1088 WeakPolarHBondContact CG2-O 3.01Å; T1026-V1088 PolarHBondContact OG1-N 3.38Å; V1088-L1090 PolarHBondContact O-N 3.5Å
1089P74.8Confident74.6Confident86 Ų8673.1 Ų73.156%0.55839%0.393SS*.PPolyproline II helixtrans-60.2131.7173.725-33.2000110.2V1082V1082-P1089 HydrophobicContact CG1-CB 4.41Å
1090L74.9Confident75Confident18 Ų1870.3 Ų70.39%0.09437%0.374CS..PPolyproline II helixtrans-58.1125.4175.8-65.8172.4000109L1023 T1026 L1030 A1074 V1088 A1092 F1097L1023-L1090 HydrophobicContact CD1-CD2 3.89Å; T1026-L1090 HydrophobicContact CG2-CD2 4.46Å; L1030-L1090 HydrophobicContact CD1-CD1 4.36Å; A1074-L1090 HydrophobicContact CB-CD1 4.29Å; A1074-L1090 WeakPolarHBondContact O-CD1 3.14Å; V1088-L1090 PolarHBondContact O-N 3.5Å; L1090-A1092 PolarHBondContact O-N 3.15Å; L1090-A1092 VanDerWaalsContact O-N 3.13Å; L1090-F1097 HydrophobicContact CD2-CD1 4.35Å; L1090-F1097 HydrophobicContact CD2-CE1 3.74Å
1091P68.5Low75.3Confident40 Ų4063.1 Ų63.126%0.2634%0.341SS..PPolyproline II helixtrans-59.2120.3-171.819.3-30.2000110.9V1006 L1023 E1093 V1094V1006-P1091 HydrophobicContact CG1-CG 4.05Å; L1023-P1091 HydrophobicContact CD1-CG 4.37Å; L1023-P1091 HydrophobicContact CD2-CG 4.33Å; P1091-E1093 PolarHBondContact O-N 3.38Å; P1091-V1094 PolarHBondContact O-N 2.62Å
1092A62.4Low75.8Confident64 Ų6464 Ų6453%0.52935%0.347SS..THydrogen-bonded Turntrans-68.6-24.2179.500000112.6L1090 V1094 K1095L1090-A1092 PolarHBondContact O-N 3.15Å; L1090-A1092 VanDerWaalsContact O-N 3.13Å; A1092-V1094 VanDerWaalsContact C-N 3.28Å; A1092-V1094 PolarHBondContact O-N 2.67Å; A1092-K1095 WeakPolarHBondContact O-CG 3.47Å; A1092-K1095 PolarHBondContact O-N 2.99Å
1093E58.9Low76.2Confident191 Ų19169.1 Ų69.189%0.89337%0.371SS*.THydrogen-bonded Turntrans-61.5-36.8179.4-62.8-174175.500111.6P1091 K1095P1091-E1093 PolarHBondContact O-N 3.38Å; E1093-K1095 PolarHBondContact O-N 2.97Å
1094V64.3Low76.7Confident55 Ų5564.5 Ų64.533%0.33334%0.344SS..  trans-95.367.6173.3-1640000109.2V1006 P1091 A1092 A1096 F1097 R1098V1006-V1094 HydrophobicContact CG1-CG2 4.14Å; V1006-V1094 HydrophobicContact CG2-CG1 4.41Å; P1091-V1094 PolarHBondContact O-N 2.62Å; A1092-V1094 VanDerWaalsContact C-N 3.28Å; A1092-V1094 PolarHBondContact O-N 2.67Å; V1094-A1096 HydrophobicContact CG1-CB 4.29Å; V1094-A1096 PolarHBondContact O-N 3.39Å; V1094-F1097 HydrophobicContact CB-CB 4.1Å; V1094-F1097 HydrophobicContact CG1-CB 3.73Å; V1094-F1097 PolarHBondContact O-N 3.01Å; V1094-R1098 PolarHBondContact O-N 2.91Å
1095K62.9Low77.1Confident132 Ų13261.4 Ų61.457%0.57432%0.322SS*.Hα-helixtrans-49.8-28.7174.6-74.2-175.2-177.6171.50112.8A1092 E1093 R1099A1092-K1095 WeakPolarHBondContact O-CG 3.47Å; A1092-K1095 PolarHBondContact O-N 2.99Å; E1093-K1095 PolarHBondContact O-N 2.97Å; K1095-R1099 WeakPolarHBondContact O-CB 3.45Å; K1095-R1099 VanDerWaalsContact O-CG 3.31Å; K1095-R1099 WeakPolarHBondContact O-CG 3.5Å; K1095-R1099 PolarHBondContact O-N 2.99Å
1096A74.4Confident77.4Confident65 Ų6561 Ų6154%0.53733%0.328SS..Hα-helixtrans-59.5-49.1173.100000111.9V1094 R1099 T1100V1094-A1096 HydrophobicContact CG1-CB 4.29Å; V1094-A1096 PolarHBondContact O-N 3.39Å; A1096-R1099 PolarHBondContact O-N 3.49Å; A1096-T1100 WeakPolarHBondContact O-CB 3.49Å; A1096-T1100 PolarHBondContact O-N 2.91Å; A1096-T1100 PolarHBondContact O-OG1 3.14Å
1097F80.5Confident78Confident7 Ų763.3 Ų63.33%0.03134%0.342CS..Hα-helixtrans-63.4-48.1-176.6-177.5-114.8000112.1M1002 A1003 V1006 L1023 T1027 L1090 V1094 R1099 T1100 V1101M1002-F1097 HydrophobicContact CB-CD2 4.09Å; M1002-F1097 HydrophobicContact CB-CE2 3.84Å; A1003-F1097 HydrophobicContact CB-CE2 4.36Å; A1003-F1097 HydrophobicContact CB-CZ 4.01Å; V1006-F1097 HydrophobicContact CG2-CB 4.3Å; V1006-F1097 HydrophobicContact CG2-CD2 4.15Å; V1006-F1097 HydrophobicContact CG2-CG 4.18Å; L1023-F1097 HydrophobicContact CD1-CE1 4.07Å; L1023-F1097 HydrophobicContact CD2-CE1 4.17Å; L1023-F1097 HydrophobicContact CG-CE1 4.29Å; T1027-F1097 HydrophobicContact CG2-CZ 4.06Å; L1090-F1097 HydrophobicContact CD2-CD1 4.35Å; L1090-F1097 HydrophobicContact CD2-CE1 3.74Å; V1094-F1097 HydrophobicContact CB-CB 4.1Å; V1094-F1097 HydrophobicContact CG1-CB 3.73Å; V1094-F1097 PolarHBondContact O-N 3.01Å; F1097-R1099 VanDerWaalsContact C-N 3.31Å; F1097-R1099 PolarHBondContact O-N 2.81Å; F1097-T1100 WeakPolarHBondContact O-CA 3.08Å; F1097-T1100 WeakPolarHBondContact O-CB 3.41Å; F1097-T1100 PolarHBondContact O-N 2.94Å; F1097-V1101 HydrophobicContact CE1-CG2 4.21Å; F1097-V1101 HydrophobicContact CE2-CG2 4.32Å; F1097-V1101 HydrophobicContact CZ-CG2 4.09Å; F1097-V1101 WeakPolarHBondContact O-CG2 3.3Å; F1097-V1101 PolarHBondContact O-N 2.68Å
1098R80.7Confident78.5Confident77 Ų7762.9 Ų62.929%0.29134%0.34SS..Hα-helixtrans-58.9-42.1176.4-171.8177.964.9178.3-5.7112.3A1074 A1075 V1094 T1100 V1101 L1102A1074-R1098 VanDerWaalsContact O-CD 3.32Å; A1074-R1098 WeakPolarHBondContact O-CD 3.36Å; A1074-R1098 VanDerWaalsContact O-CG 3.23Å; A1074-R1098 WeakPolarHBondContact O-CG 3.44Å; A1075-R1098 PolarHBondContact O-NH1 2.89Å; V1094-R1098 PolarHBondContact O-N 2.91Å; R1098-T1100 VanDerWaalsContact C-N 3.34Å; R1098-V1101 PolarHBondContact O-N 3.01Å; R1098-L1102 WeakPolarHBondContact O-CG 3.07Å; R1098-L1102 PolarHBondContact O-N 2.87Å
1099R83.2Confident79.1Confident163 Ų16364 Ų6462%0.61534%0.344SS*.Hα-helixtrans-65-39174.9-76.3179.2178179.5-0.3111.6K1095 A1096 F1097 L1102 M1103K1095-R1099 WeakPolarHBondContact O-CB 3.45Å; K1095-R1099 VanDerWaalsContact O-CG 3.31Å; K1095-R1099 WeakPolarHBondContact O-CG 3.5Å; K1095-R1099 PolarHBondContact O-N 2.99Å; A1096-R1099 PolarHBondContact O-N 3.49Å; F1097-R1099 VanDerWaalsContact C-N 3.31Å; F1097-R1099 PolarHBondContact O-N 2.81Å; R1099-L1102 PolarHBondContact O-N 3.34Å; R1099-M1103 HydrophobicContact CB-CE 3.94Å; R1099-M1103 WeakPolarHBondContact O-CB 3.04Å; R1099-M1103 WeakPolarHBondContact O-CG 3.33Å; R1099-M1103 PolarHBondContact O-N 3.22Å
1100T85.3Confident80Confident27 Ų2765.5 Ų65.517%0.16635%0.346CS..Hα-helixtrans-64.2-42.3176.9-59.40000111.8Y998 L999 A1096 F1097 R1098 M1103 A1104Y998-T1100 HydrophobicContact CD1-CG2 4.48Å; Y998-T1100 HydrophobicContact CE1-CG2 3.52Å; L999-T1100 HydrophobicContact CD2-CG2 4.46Å; A1096-T1100 WeakPolarHBondContact O-CB 3.49Å; A1096-T1100 PolarHBondContact O-N 2.91Å; A1096-T1100 PolarHBondContact O-OG1 3.14Å; F1097-T1100 WeakPolarHBondContact O-CA 3.08Å; F1097-T1100 WeakPolarHBondContact O-CB 3.41Å; F1097-T1100 PolarHBondContact O-N 2.94Å; R1098-T1100 VanDerWaalsContact C-N 3.34Å; T1100-M1103 PolarHBondContact O-N 2.96Å; T1100-A1104 VanDerWaalsContact O-CB 3.31Å; T1100-A1104 WeakPolarHBondContact O-CB 3.45Å; T1100-A1104 PolarHBondContact O-N 3.16Å
1101V85.1Confident80.8Confident5 Ų565.7 Ų65.73%0.0335%0.352CS..Hα-helixtrans-58.3-49.9173.8173.90000110.4L999 F1097 R1098 M1103 A1104 I1105L999-V1101 HydrophobicContact CD2-CG2 4.03Å; F1097-V1101 HydrophobicContact CE1-CG2 4.21Å; F1097-V1101 HydrophobicContact CE2-CG2 4.32Å; F1097-V1101 HydrophobicContact CZ-CG2 4.09Å; F1097-V1101 WeakPolarHBondContact O-CG2 3.3Å; F1097-V1101 PolarHBondContact O-N 2.68Å; R1098-V1101 PolarHBondContact O-N 3.01Å; V1101-M1103 VanDerWaalsContact C-N 3.34Å; V1101-M1103 PolarHBondContact O-N 2.95Å; V1101-A1104 PolarHBondContact O-N 2.85Å; V1101-I1105 HydrophobicContact CG1-CD1 3.95Å; V1101-I1105 WeakPolarHBondContact O-CB 3.47Å; V1101-I1105 VanDerWaalsContact O-CG1 3.24Å; V1101-I1105 WeakPolarHBondContact O-CG1 3.28Å; V1101-I1105 PolarHBondContact O-N 2.9Å
1102L85.8Confident81.9Confident59 Ų5963.8 Ų63.831%0.30934%0.34SS..Hα-helixtrans-63.4-36.9177.8-67.7171.6000112.9V1071 A1074 R1098 R1099 G1106V1071-L1102 HydrophobicContact CG1-CD2 4.4Å; A1074-L1102 HydrophobicContact CB-CD2 4.07Å; R1098-L1102 WeakPolarHBondContact O-CG 3.07Å; R1098-L1102 PolarHBondContact O-N 2.87Å; R1099-L1102 PolarHBondContact O-N 3.34Å; L1102-G1106 PolarHBondContact O-N 3.14Å; L1102-G1106 VanDerWaalsContact O-N 3.11Å
1103M87.1Confident83.3Confident112 Ų11267 Ų6755%0.55234%0.339SS*.Hα-helixtrans-69.2-41.7175.4-78.7-170.9-89.300112.2R1099 T1100 V1101 G1106 L1107R1099-M1103 HydrophobicContact CB-CE 3.94Å; R1099-M1103 WeakPolarHBondContact O-CB 3.04Å; R1099-M1103 WeakPolarHBondContact O-CG 3.33Å; R1099-M1103 PolarHBondContact O-N 3.22Å; T1100-M1103 PolarHBondContact O-N 2.96Å; V1101-M1103 VanDerWaalsContact C-N 3.34Å; V1101-M1103 PolarHBondContact O-N 2.95Å; M1103-G1106 PolarHBondContact O-N 3.29Å; M1103-L1107 WeakPolarHBondContact O-CB 3.17Å; M1103-L1107 VanDerWaalsContact O-CG 3.31Å; M1103-L1107 WeakPolarHBondContact O-CG 3.4Å; M1103-L1107 PolarHBondContact O-N 3.49Å
1104A86.8Confident84.9Confident11 Ų1164.3 Ų64.39%0.09133%0.325CS..Hα-helixtrans-61.8-45.117700000110.9L999 T1100 V1101 G1106 L1107 D1108L999-A1104 HydrophobicContact CD1-CB 3.96Å; L999-A1104 HydrophobicContact CD2-CB 3.86Å; L999-A1104 HydrophobicContact CG-CB 4.05Å; T1100-A1104 VanDerWaalsContact O-CB 3.31Å; T1100-A1104 WeakPolarHBondContact O-CB 3.45Å; T1100-A1104 PolarHBondContact O-N 3.16Å; V1101-A1104 PolarHBondContact O-N 2.85Å; A1104-G1106 VanDerWaalsContact C-N 3.35Å; A1104-G1106 PolarHBondContact O-N 2.97Å; A1104-L1107 PolarHBondContact O-N 3.41Å; A1104-D1108 WeakPolarHBondContact O-CB 3.3Å; A1104-D1108 PolarHBondContact O-N 3.3Å
1105I87Confident86.2Confident10 Ų1063 Ų635%0.05132%0.316CS..Hα-helixtrans-53.3-49.7171.9-75.5174.4000111M1031 F1034 V1101 L1109M1031-I1105 HydrophobicContact SD-CG1 4.1Å; F1034-I1105 HydrophobicContact CD1-CB 4.08Å; F1034-I1105 HydrophobicContact CD1-CG1 3.86Å; F1034-I1105 HydrophobicContact CD1-CG2 3.84Å; F1034-I1105 HydrophobicContact CD2-CG2 3.64Å; F1034-I1105 HydrophobicContact CE1-CB 3.92Å; F1034-I1105 HydrophobicContact CE1-CG1 4.24Å; F1034-I1105 HydrophobicContact CE1-CG2 3.53Å; F1034-I1105 WeakPolarHBondContact CE1-O 3.38Å; F1034-I1105 HydrophobicContact CE2-CB 4.5Å; F1034-I1105 HydrophobicContact CE2-CG2 3.32Å; F1034-I1105 HydrophobicContact CG-CB 4.42Å; F1034-I1105 HydrophobicContact CG-CD1 4.45Å; F1034-I1105 HydrophobicContact CG-CG1 4.02Å; F1034-I1105 HydrophobicContact CG-CG2 3.88Å; F1034-I1105 HydrophobicContact CZ-CB 4.13Å; F1034-I1105 HydrophobicContact CZ-CG2 3.24Å; F1034-I1105 VanDerWaalsContact CZ-O 3.23Å; F1034-I1105 WeakPolarHBondContact CZ-O 3.5Å; V1101-I1105 HydrophobicContact CG1-CD1 3.95Å; V1101-I1105 WeakPolarHBondContact O-CB 3.47Å; V1101-I1105 VanDerWaalsContact O-CG1 3.24Å; V1101-I1105 WeakPolarHBondContact O-CG1 3.28Å; V1101-I1105 PolarHBondContact O-N 2.9Å; I1105-L1109 PolarHBondContact O-N 2.86Å
1106G87Confident87.4Confident30 Ų3056.7 Ų56.731%0.30929%0.288SS..Hα-helixtrans-66.7-43.3179.400000114.1L1102 M1103 A1104 I1110L1102-G1106 PolarHBondContact O-N 3.14Å; L1102-G1106 VanDerWaalsContact O-N 3.11Å; M1103-G1106 PolarHBondContact O-N 3.29Å; A1104-G1106 VanDerWaalsContact C-N 3.35Å; A1104-G1106 PolarHBondContact O-N 2.97Å; G1106-I1110 WeakPolarHBondContact O-CD1 3.39Å; G1106-I1110 VanDerWaalsContact O-CG1 3.29Å; G1106-I1110 WeakPolarHBondContact O-CG1 3.43Å; G1106-I1110 PolarHBondContact O-N 2.82Å
1107L90.6Very high88Confident124 Ų12458.1 Ų58.165%0.64928%0.283SS*.Hα-helixtrans-66.7-38.9179.8-73.7172.8000112.1M1103 A1104 I1110 G1111M1103-L1107 WeakPolarHBondContact O-CB 3.17Å; M1103-L1107 VanDerWaalsContact O-CG 3.31Å; M1103-L1107 WeakPolarHBondContact O-CG 3.4Å; M1103-L1107 PolarHBondContact O-N 3.49Å; A1104-L1107 PolarHBondContact O-N 3.41Å; L1107-I1110 PolarHBondContact O-N 3.47Å; L1107-G1111 PolarHBondContact O-N 2.95Å
1108D91.5Very high88.4Confident0 Ų061.5 Ų61.50%030%0.301CS..Hα-helixtrans-62.3-48.9177.4-175-86.9000111.3H992 S995 M1031 L1035 A1104 I1110 G1111 C1112H992-D1108 WeakPolarHBondContact CA-OD2 3.47Å; H992-D1108 IonicContact CE1-OD1 3.64Å; H992-D1108 PolarHBondContact CE1-OD1 2.87Å; H992-D1108 IonicContact CE1-OD2 3.52Å; H992-D1108 IonicContact CG-OD2 3.5Å; H992-D1108 VanDerWaalsContact ND1-CG 3.26Å; H992-D1108 IonicContact ND1-OD1 2.68Å; H992-D1108 PolarHBondContact ND1-OD1 2.9Å; H992-D1108 IonicContact ND1-OD2 2.59Å; H992-D1108 PolarHBondContact ND1-OD2 2.58Å; S995-D1108 PolarHBondContact OG-OD2 2.89Å; S995-D1108 VanDerWaalsContact OG-OD2 3.07Å; M1031-D1108 HydrophobicContact CE-CB 4.29Å; L1035-D1108 WeakPolarHBondContact CD2-OD1 3.49Å; A1104-D1108 WeakPolarHBondContact O-CB 3.3Å; A1104-D1108 PolarHBondContact O-N 3.3Å; D1108-I1110 PolarHBondContact O-N 2.8Å; D1108-G1111 PolarHBondContact O-N 2.97Å; D1108-C1112 WeakPolarHBondContact O-CB 3.47Å; D1108-C1112 PolarHBondContact O-N 2.99Å
1109L90.2Very high88.6Confident68 Ų6858 Ų5836%0.35629%0.288SS..Hα-helixtrans-58-45.8176.5179.466.3000112.4F1034 C1038 V1042 I1105 Y1113F1034-L1109 HydrophobicContact CZ-CB 4.07Å; C1038-L1109 HydrophobicContact CB-CD1 4.34Å; C1038-L1109 WeakPolarHBondContact SG-CD1 3.34Å; V1042-L1109 HydrophobicContact CG2-CD1 3.85Å; I1105-L1109 PolarHBondContact O-N 2.86Å; L1109-Y1113 VanDerWaalsContact O-CB 3.26Å; L1109-Y1113 WeakPolarHBondContact O-CB 3.15Å; L1109-Y1113 PolarHBondContact O-N 3.47Å
1110I92.3Very high88.6Confident117 Ų11751.3 Ų51.360%0.627%0.268SS*.Hα-helixtrans-66.6-43.2178.8-66.3167000110.5G1106 L1107 D1108 Y1113 F1114G1106-I1110 WeakPolarHBondContact O-CD1 3.39Å; G1106-I1110 VanDerWaalsContact O-CG1 3.29Å; G1106-I1110 WeakPolarHBondContact O-CG1 3.43Å; G1106-I1110 PolarHBondContact O-N 2.82Å; L1107-I1110 PolarHBondContact O-N 3.47Å; D1108-I1110 PolarHBondContact O-N 2.8Å; I1110-Y1113 PolarHBondContact O-N 2.64Å; I1110-F1114 WeakPolarHBondContact O-CB 3.45Å; I1110-F1114 PolarHBondContact O-N 3.02Å
1111G91.4Very high88.4Confident22 Ų2256.3 Ų56.323%0.22729%0.293CS..Hα-helixtrans-61.6-49.8179.400000112.1L1107 D1108 Y1113 F1114 I1115L1107-G1111 PolarHBondContact O-N 2.95Å; D1108-G1111 PolarHBondContact O-N 2.97Å; G1111-Y1113 PolarHBondContact O-N 3.21Å; G1111-F1114 PolarHBondContact O-N 2.7Å; G1111-I1115 VanDerWaalsContact O-CG1 3.31Å; G1111-I1115 WeakPolarHBondContact O-CG1 3.47Å; G1111-I1115 PolarHBondContact O-N 2.87Å
1112C92.8Very high88.3Confident0 Ų061 Ų610%032%0.317CS..Hα-helixtrans-64.7-40.1178.1-73.40000112.3Q988 H992 V1042 D1108 F1114 I1115 D1116Q988-C1112 HydrophobicContact CG-CB 4.12Å; H992-C1112 PolarHBondContact CE1-SG 3.07Å; V1042-C1112 HydrophobicContact CG1-CB 4.4Å; V1042-C1112 HydrophobicContact CG2-CB 4.36Å; D1108-C1112 WeakPolarHBondContact O-CB 3.47Å; D1108-C1112 PolarHBondContact O-N 2.99Å; C1112-F1114 PolarHBondContact O-N 3.27Å; C1112-I1115 PolarHBondContact O-N 2.83Å; C1112-D1116 WeakPolarHBondContact O-CB 3.4Å; C1112-D1116 PolarHBondContact O-N 2.94Å
1113Y91.2Very high88Confident131 Ų13162.4 Ų62.451%0.51432%0.321SS..Hα-helixtrans-60-45174-178.2-95.7000112.2L1109 I1110 G1111 K1117L1109-Y1113 VanDerWaalsContact O-CB 3.26Å; L1109-Y1113 WeakPolarHBondContact O-CB 3.15Å; L1109-Y1113 PolarHBondContact O-N 3.47Å; I1110-Y1113 PolarHBondContact O-N 2.64Å; G1111-Y1113 PolarHBondContact O-N 3.21Å; Y1113-K1117 HydrophobicContact CD1-CG 4.38Å; Y1113-K1117 HydrophobicContact CE1-CG 4Å; Y1113-K1117 HydrophobicContact CE2-CG 4.42Å; Y1113-K1117 WeakPolarHBondContact O-CG 3.41Å; Y1113-K1117 PolarHBondContact O-N 3.06Å; Y1113-K1117 VanDerWaalsContact O-N 3.1Å; Y1113-K1117 WeakPolarHBondContact OH-CE 3.47Å
1114F91.9Very high86.9Confident135 Ų13557.8 Ų57.859%0.59230%0.302SS*.Hα-helixtrans-65.5-44.6178.8-175.9-98.1000112.2I1110 G1111 C1112 D1116 K1117 L1118I1110-F1114 WeakPolarHBondContact O-CB 3.45Å; I1110-F1114 PolarHBondContact O-N 3.02Å; G1111-F1114 PolarHBondContact O-N 2.7Å; C1112-F1114 PolarHBondContact O-N 3.27Å; F1114-D1116 PolarHBondContact O-N 2.93Å; F1114-K1117 PolarHBondContact O-N 3.38Å; F1114-L1118 HydrophobicContact CE1-CD2 4.28Å; F1114-L1118 VanDerWaalsContact O-CB 3.3Å; F1114-L1118 WeakPolarHBondContact O-CB 3.19Å; F1114-L1118 PolarHBondContact O-N 2.99Å
1115I92.2Very high85.5Confident27 Ų2763 Ų6314%0.13833%0.325CS..Hα-helixtrans-59.2-47.4177-74167000110.9L987 Q988 V991 G1111 C1112 K1117 L1118 C1119L987-I1115 HydrophobicContact CB-CD1 4.22Å; L987-I1115 HydrophobicContact CB-CG2 3.49Å; L987-I1115 VanDerWaalsContact CB-CG2 3.49Å; L987-I1115 HydrophobicContact CD1-CG2 4.05Å; L987-I1115 HydrophobicContact CG-CG2 4.44Å; Q988-I1115 HydrophobicContact CG-CG2 4.12Å; V991-I1115 HydrophobicContact CB-CD1 4.49Å; V991-I1115 HydrophobicContact CG2-CD1 3.31Å; G1111-I1115 VanDerWaalsContact O-CG1 3.31Å; G1111-I1115 WeakPolarHBondContact O-CG1 3.47Å; G1111-I1115 PolarHBondContact O-N 2.87Å; C1112-I1115 PolarHBondContact O-N 2.83Å; I1115-K1117 PolarHBondContact O-N 3.44Å; I1115-L1118 PolarHBondContact O-N 3.48Å; I1115-C1119 WeakPolarHBondContact O-CB 3.34Å; I1115-C1119 PolarHBondContact O-N 3.04Å; I1115-C1119 PolarHBondContact O-SG 3.09Å; I1115-C1119 VanDerWaalsContact O-SG 3.33Å
1116D88.2Confident83.8Confident0 Ų066.6 Ų66.60%035%0.347CS..Hα-helixtrans-58.7-49.1179.2-176.772.7000111.6K916 Y980 V1042 H1045 C1112 F1114 L1118 C1119 A1120K916-D1116 IonicContact NZ-OD1 3.15Å; K916-D1116 PolarHBondContact NZ-OD1 2.73Å; Y980-D1116 PolarHBondContact OH-OD1 2.95Å; V1042-D1116 HydrophobicContact CG1-CB 3.81Å; H1045-D1116 IonicContact CE1-OD1 3.88Å; H1045-D1116 IonicContact CE1-OD2 3.02Å; H1045-D1116 PolarHBondContact CE1-OD2 3.11Å; H1045-D1116 IonicContact NE2-OD1 3.77Å; H1045-D1116 IonicContact NE2-OD2 2.87Å; C1112-D1116 WeakPolarHBondContact O-CB 3.4Å; C1112-D1116 PolarHBondContact O-N 2.94Å; F1114-D1116 PolarHBondContact O-N 2.93Å; D1116-L1118 PolarHBondContact O-N 3.49Å; D1116-C1119 PolarHBondContact O-N 3.42Å; D1116-A1120 VanDerWaalsContact O-CB 3.27Å; D1116-A1120 WeakPolarHBondContact O-CB 3.45Å; D1116-A1120 PolarHBondContact O-N 3.1Å
1117K87.5Confident81.6Confident95 Ų9575.8 Ų75.841%0.41337%0.372SS..Hα-helixtrans-63.5-40.2178.3-68.9-62.6179.9-167.80112.9Y1113 F1114 I1115 A1120 L1121Y1113-K1117 HydrophobicContact CD1-CG 4.38Å; Y1113-K1117 HydrophobicContact CE1-CG 4Å; Y1113-K1117 HydrophobicContact CE2-CG 4.42Å; Y1113-K1117 WeakPolarHBondContact O-CG 3.41Å; Y1113-K1117 PolarHBondContact O-N 3.06Å; Y1113-K1117 VanDerWaalsContact O-N 3.1Å; Y1113-K1117 WeakPolarHBondContact OH-CE 3.47Å; F1114-K1117 PolarHBondContact O-N 3.38Å; I1115-K1117 PolarHBondContact O-N 3.44Å; K1117-A1120 PolarHBondContact O-N 2.7Å; K1117-L1121 WeakPolarHBondContact O-CB 3.45Å; K1117-L1121 PolarHBondContact O-N 3.04Å
1118L87.8Confident79.1Confident78 Ų7874.1 Ų74.141%0.40837%0.371SS..Hα-helixtrans-64.5-48.2177-176.767.9000111.1F1114 I1115 D1116 A1120 L1121 L1122F1114-L1118 HydrophobicContact CE1-CD2 4.28Å; F1114-L1118 VanDerWaalsContact O-CB 3.3Å; F1114-L1118 WeakPolarHBondContact O-CB 3.19Å; F1114-L1118 PolarHBondContact O-N 2.99Å; I1115-L1118 PolarHBondContact O-N 3.48Å; D1116-L1118 PolarHBondContact O-N 3.49Å; L1118-A1120 VanDerWaalsContact C-N 3.3Å; L1118-A1120 PolarHBondContact O-N 3.13Å; L1118-L1121 PolarHBondContact O-N 3.31Å; L1118-L1122 HydrophobicContact CD1-CD1 4.2Å; L1118-L1122 HydrophobicContact CG-CD1 4.04Å; L1118-L1122 WeakPolarHBondContact O-CB 3.25Å; L1118-L1122 VanDerWaalsContact O-CG 3.32Å; L1118-L1122 WeakPolarHBondContact O-CG 3.46Å; L1118-L1122 PolarHBondContact O-N 3.49Å
1119C86Confident76.5Confident3 Ų378.5 Ų78.52%0.0241%0.408CS..Hα-helixtrans-61.3-40.1176.1-740000111.5Y980 I1115 D1116 L1122 F1123 G1124Y980-C1119 HydrophobicContact CD2-CB 3.93Å; Y980-C1119 WeakPolarHBondContact CD2-O 3.3Å; Y980-C1119 HydrophobicContact CE2-CB 3.84Å; I1115-C1119 WeakPolarHBondContact O-CB 3.34Å; I1115-C1119 PolarHBondContact O-N 3.04Å; I1115-C1119 PolarHBondContact O-SG 3.09Å; I1115-C1119 VanDerWaalsContact O-SG 3.33Å; D1116-C1119 PolarHBondContact O-N 3.42Å; C1119-L1122 PolarHBondContact O-N 3.24Å; C1119-F1123 PolarHBondContact O-N 3.36Å; C1119-G1124 PolarHBondContact O-N 3.25Å
1120A82.1Confident73.5Confident24 Ų2479.3 Ų79.320%0.19842%0.424CS..Iπ-helixtrans-65.9-39.8178.900000111.5Y980 D1116 K1117 L1118 G1124 E1125Y980-A1120 VanDerWaalsContact CE2-CA 3.5Å; Y980-A1120 HydrophobicContact CE2-CB 3.91Å; D1116-A1120 VanDerWaalsContact O-CB 3.27Å; D1116-A1120 WeakPolarHBondContact O-CB 3.45Å; D1116-A1120 PolarHBondContact O-N 3.1Å; K1117-A1120 PolarHBondContact O-N 2.7Å; L1118-A1120 VanDerWaalsContact C-N 3.3Å; L1118-A1120 PolarHBondContact O-N 3.13Å; A1120-G1124 WeakPolarHBondContact O-CA 3.4Å; A1120-G1124 PolarHBondContact O-N 3.18Å; A1120-E1125 PolarHBondContact O-N 3.31Å
1121L82.1Confident70.5Confident131 Ų13185.9 Ų85.969%0.68645%0.448SS*.Iπ-helixtrans-68.4-36.8176.5-174.7146.6000112.5K1117 L1118K1117-L1121 WeakPolarHBondContact O-CB 3.45Å; K1117-L1121 PolarHBondContact O-N 3.04Å; L1118-L1121 PolarHBondContact O-N 3.31Å
1122L82.4Confident69.4Low104 Ų10489.1 Ų89.155%0.54546%0.459SS..Iπ-helixtrans-81.2-40-178.6-68.8174.1000113.5L1118 C1119L1118-L1122 HydrophobicContact CD1-CD1 4.2Å; L1118-L1122 HydrophobicContact CG-CD1 4.04Å; L1118-L1122 WeakPolarHBondContact O-CB 3.25Å; L1118-L1122 VanDerWaalsContact O-CG 3.32Å; L1118-L1122 WeakPolarHBondContact O-CG 3.46Å; L1118-L1122 PolarHBondContact O-N 3.49Å; C1119-L1122 PolarHBondContact O-N 3.24Å
1123F78.9Confident68.2Low88 Ų8893.8 Ų93.839%0.38648%0.483SS..Iπ-helixtrans-134.2-14.8-168.5-56.1-73.4000114.8V979 Y980 L983 C1119V979-F1123 HydrophobicContact CG1-CD1 4.15Å; V979-F1123 HydrophobicContact CG1-CE1 4.18Å; V979-F1123 HydrophobicContact CG1-CG 4.42Å; V979-F1123 HydrophobicContact CG1-CZ 4.49Å; Y980-F1123 HydrophobicContact CD2-CB 4.5Å; L983-F1123 HydrophobicContact CD2-CD2 3.94Å; L983-F1123 HydrophobicContact CD2-CE2 3.55Å; C1119-F1123 PolarHBondContact O-N 3.36Å
1124G65Low66.9Low16 Ų1691.7 Ų91.717%0.16548%0.482CS..Iπ-helixtrans-77.5-31.4-174.500000113.2C1119 A1120 V1126C1119-G1124 PolarHBondContact O-N 3.25Å; A1120-G1124 WeakPolarHBondContact O-CA 3.4Å; A1120-G1124 PolarHBondContact O-N 3.18Å; G1124-V1126 PolarHBondContact O-N 3.19Å
1125E58.4Low65.5Low121 Ų12189.2 Ų89.257%0.56548%0.475SS*.SBendtrans-75.1114.6165.2-65-173.2178.300108A1120 R1127A1120-E1125 PolarHBondContact O-N 3.31Å; E1125-R1127 PolarHBondContact O-N 3.08Å
1126V49.7Very low63.8Low85 Ų8593.1 Ų93.152%0.51550%0.496SS..  trans-58.486147.5-176.60000103.9L973 G1124 S1128L973-V1126 HydrophobicContact CD2-CG2 4Å; G1124-V1126 PolarHBondContact O-N 3.19Å; V1126-S1128 PolarHBondContact O-N 3.19Å
1127R41.6Very low62.2Low222 Ų22299.3 Ų99.384%0.83853%0.529SS*.  trans-45.5109157.6-94.9-175.5174.2179.4-0.7102E1125 A1129E1125-R1127 PolarHBondContact O-N 3.08Å; R1127-A1129 PolarHBondContact O-N 3.15Å
1128S38.9Very low60.3Low89 Ų8999.6 Ų99.662%0.62254%0.538SS*.  trans-44.1117.5176.953.80000104.8V1126 A1130V1126-S1128 PolarHBondContact O-N 3.19Å; S1128-A1130 PolarHBondContact O-N 3.26Å; S1128-A1130 VanDerWaalsContact OG-CB 3.31Å; S1128-A1130 WeakPolarHBondContact OG-CB 3.12Å
1129A35Very low58.2Low93 Ų93101.2 Ų101.277%0.76955%0.548SS*.  trans-58.479.9152.800000104.6R1127R1127-A1129 PolarHBondContact O-N 3.15Å
1130A28.8Very low55.9Low85 Ų85109.4 Ų109.470%0.70259%0.592SS**  trans-102.429.1171.500000107.7S1128S1128-A1130 PolarHBondContact O-N 3.26Å; S1128-A1130 VanDerWaalsContact OG-CB 3.31Å; S1128-A1130 WeakPolarHBondContact OG-CB 3.12Å
1131K28.3Very low53.5Low255 Ų255117.2 Ų117.2100%1.10963%0.627SS**  trans-112.30140.3-70.5-174.1177.3-175.60105.6

Retrieved 1,131 of 1,131 residues in 342.8 ms (Link to these results)

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