A0A077ZI42_TRITR Loading...

DNA replication and repair protein RecF

AlphaFold DB , UniProt , Accession A0A077ZI42, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 694 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
1M49.6Very low74Confident195 Ų19588 Ų8896%0.96148%0.479SS*.  0132.30-91.3178.7-119.200106S3 D36M1-S3 PolarHBondContact O-N 2.94Å; M1-S3 VanDerWaalsContact O-N 3.08Å; M1-S3 PolarHBondContact O-OG 3.43Å; M1-D36 PolarHBondContact N-OD1 3.45Å
2T61.2Low74.4Confident86 Ų8688.5 Ų88.553%0.52848%0.481SS..  trans-69.4110.4-178.4-37.90000109.3E37 M39T2-E37 WeakPolarHBondContact CA-O 3.3Å; T2-E37 HydrophobicContact CG2-CB 4.29Å; T2-M39 HydrophobicContact CG2-CB 4.46Å; T2-M39 HydrophobicContact CG2-CG 3.76Å; T2-M39 HydrophobicContact CG2-SD 4.08Å
3S75.8Confident74.5Confident51 Ų5192.8 Ų92.836%0.35750%0.502SS..EExtended strand (participates in β ladder)trans-86.2129.7-179.3-50.80000108.7M1 E37 I38 M39M1-S3 PolarHBondContact O-N 2.94Å; M1-S3 VanDerWaalsContact O-N 3.08Å; M1-S3 PolarHBondContact O-OG 3.43Å; S3-E37 PolarHBondContact N-O 3.18Å; S3-I38 CarbonylContact O-C 3.55Å; S3-I38 VanDerWaalsContact O-CA 3.31Å; S3-I38 WeakPolarHBondContact O-CA 3.31Å; S3-M39 PolarHBondContact O-N 3.12Å
4I80.9Confident74.5Confident117 Ų11793.1 Ų93.160%0.650%0.498SS*.EExtended strand (participates in β ladder)trans-91.7125.3174.3-59.9176.3000108.5P6 M39 L41I4-P6 WeakPolarHBondContact O-CD 3.49Å; I4-M39 CarbonylContact C-O 3.51Å; I4-M39 WeakPolarHBondContact CA-O 3.29Å; I4-L41 HydrophobicContact CG2-CB 3.55Å; I4-L41 HydrophobicContact CG2-CD2 4.23Å
5L78.6Confident75.1Confident80 Ų8089 Ų8942%0.41947%0.474SS..EExtended strand (participates in β ladder)trans-102.8100.8173.3179.166.6000109V7 I26 I38 M39 P40 L41L5-V7 HydrophobicContact CD2-CG2 4.45Å; L5-V7 HydrophobicContact CG-CG2 4.26Å; L5-V7 PolarHBondContact O-N 3.34Å; L5-I26 HydrophobicContact CD2-CG2 4.21Å; L5-I38 HydrophobicContact CB-CG2 3.52Å; L5-I38 HydrophobicContact CD2-CG2 4.22Å; L5-I38 HydrophobicContact CG-CG2 4.47Å; L5-M39 PolarHBondContact N-O 2.94Å; L5-P40 CarbonylContact O-C 3.58Å; L5-P40 VanDerWaalsContact O-CA 3.29Å; L5-P40 WeakPolarHBondContact O-CA 3.39Å; L5-L41 PolarHBondContact O-N 3.49Å
6P81.2Confident75.4Confident90 Ų9094.7 Ų94.758%0.58449%0.487SS*.EExtended strand (participates in β ladder)trans-66127.6173.926-31.2000110.1I4 L41I4-P6 WeakPolarHBondContact O-CD 3.49Å; P6-L41 CarbonylContact C-O 3.59Å; P6-L41 WeakPolarHBondContact CA-O 3.38Å
7V78.2Confident75.8Confident26 Ų2697.4 Ų97.416%0.15849%0.491CS..EExtended strand (participates in β ladder)trans-119.6108.7177.2-174.90000107.6L5 M9 W18 P40 L41 F42 V43L5-V7 HydrophobicContact CD2-CG2 4.45Å; L5-V7 HydrophobicContact CG-CG2 4.26Å; L5-V7 PolarHBondContact O-N 3.34Å; V7-M9 HydrophobicContact CG1-SD 3.81Å; V7-W18 HydrophobicContact CG1-CE3 4.26Å; V7-W18 HydrophobicContact CG1-CZ3 4.08Å; V7-P40 HydrophobicContact CG2-CB 4.22Å; V7-L41 PolarHBondContact N-O 2.85Å; V7-F42 HydrophobicContact CB-CD1 3.71Å; V7-F42 HydrophobicContact CB-CE1 3.97Å; V7-F42 HydrophobicContact CG1-CD1 3.96Å; V7-F42 HydrophobicContact CG1-CE1 4.07Å; V7-F42 HydrophobicContact CG2-CD1 4.33Å; V7-F42 HydrophobicContact CG2-CE1 4.15Å; V7-F42 WeakPolarHBondContact O-CA 3.47Å; V7-V43 PolarHBondContact O-N 2.96Å
8M81.8Confident76.3Confident110 Ų11096.9 Ų96.954%0.54248%0.482SS..EExtended strand (participates in β ladder)trans-71.2129.4176.6-76-68.1-6400110.5V43 P45M8-V43 CarbonylContact C-O 3.45Å; M8-V43 WeakPolarHBondContact CA-O 3.31Å; M8-V43 HydrophobicContact CG-CG2 4.44Å; M8-V43 HydrophobicContact SD-CB 4.48Å; M8-V43 HydrophobicContact SD-CG2 3.59Å; M8-V43 VanDerWaalsContact SD-CG2 3.59Å; M8-P45 HydrophobicContact CE-CB 4.31Å; M8-P45 HydrophobicContact CE-CG 3.97Å
9M80.1Confident76.8Confident8 Ų896.3 Ų96.34%0.03948%0.478CS..  trans-116.2131-176-57.7-56.3-74.300109.7V7 G11 H14 K15 W18 F42 V43 T44 P45V7-M9 HydrophobicContact CG1-SD 3.81Å; M9-G11 PolarHBondContact O-N 3.15Å; M9-H14 HydrophobicContact CE-CB 3.8Å; M9-H14 WeakPolarHBondContact CE-O 3.36Å; M9-K15 HydrophobicContact CB-CB 4.07Å; M9-K15 HydrophobicContact CG-CB 4.1Å; M9-W18 HydrophobicContact CE-CB 3.52Å; M9-W18 HydrophobicContact CE-CD2 3.5Å; M9-W18 HydrophobicContact CE-CE3 4.21Å; M9-W18 HydrophobicContact CE-CG 3.15Å; M9-W18 HydrophobicContact SD-CB 4.49Å; M9-W18 HydrophobicContact SD-CD2 4.1Å; M9-W18 HydrophobicContact SD-CE3 4.24Å; M9-W18 HydrophobicContact SD-CG 4.24Å; M9-F42 HydrophobicContact CE-CD1 4.33Å; M9-F42 HydrophobicContact CG-CB 3.91Å; M9-F42 HydrophobicContact CG-CD1 4.13Å; M9-F42 HydrophobicContact CG-CG 4.49Å; M9-F42 HydrophobicContact SD-CD1 3.7Å; M9-F42 HydrophobicContact SD-CE1 4.46Å; M9-V43 PolarHBondContact N-O 2.79Å; M9-T44 HydrophobicContact CB-CG2 4.44Å; M9-P45 WeakPolarHBondContact O-CD 3.38Å
10H68.4Low77.1Confident182 Ų18299.9 Ų99.984%0.84349%0.49SS*.SBendtrans-61-14.6-178.2-73.1-71.1000115.3
11G78Confident77.3Confident23 Ų23100.1 Ų100.124%0.23749%0.49CS..SBendtrans177.1173.1175.500000112.8M9 L13 H14 K15M9-G11 PolarHBondContact O-N 3.15Å; G11-L13 VanDerWaalsContact C-N 3.26Å; G11-L13 PolarHBondContact O-N 3.05Å; G11-H14 PolarHBondContact O-N 2.88Å; G11-H14 VanDerWaalsContact O-N 3.1Å; G11-K15 PolarHBondContact O-N 3.49Å
12D78.5Confident78.8Confident94 Ų9493.5 Ų93.550%0.50346%0.458SS..Hα-helixtrans-58.1-34.8-173.1-75.3-19000114.1K15 R16D12-K15 PolarHBondContact O-N 3.08Å; D12-R16 WeakPolarHBondContact O-CG 3.45Å; D12-R16 PolarHBondContact O-N 3.18Å
13L75.8Confident79.8Confident145 Ų14590.7 Ų90.776%0.75944%0.444SS*.Hα-helixtrans-64.4-44.2179.1-16288.8000111G11 Y17G11-L13 VanDerWaalsContact C-N 3.26Å; G11-L13 PolarHBondContact O-N 3.05Å; L13-Y17 PolarHBondContact O-N 2.94Å; L13-Y17 VanDerWaalsContact O-N 3.16Å
14H74.7Confident80.2Confident96 Ų9692.2 Ų92.244%0.44446%0.459SS..Hα-helixtrans-66.6-45.1176.6-82.4-105.1000110.5M9 G11 R16 Y17 W18M9-H14 HydrophobicContact CE-CB 3.8Å; M9-H14 WeakPolarHBondContact CE-O 3.36Å; G11-H14 PolarHBondContact O-N 2.88Å; G11-H14 VanDerWaalsContact O-N 3.1Å; H14-R16 PolarHBondContact O-N 3.37Å; H14-Y17 PolarHBondContact O-N 3Å; H14-W18 PolarHBondContact O-N 3.22Å
15K83Confident80.2Confident32 Ų3292.5 Ų92.514%0.13946%0.457CS..Hα-helixtrans-52-53.9176.5177.4174.4172.71780111.3M9 G11 D12 Y17 W18 E19 F42 T44 E47M9-K15 HydrophobicContact CB-CB 4.07Å; M9-K15 HydrophobicContact CG-CB 4.1Å; G11-K15 PolarHBondContact O-N 3.49Å; D12-K15 PolarHBondContact O-N 3.08Å; K15-Y17 VanDerWaalsContact C-N 3.34Å; K15-Y17 PolarHBondContact O-N 3Å; K15-W18 PolarHBondContact O-N 3.26Å; K15-E19 WeakPolarHBondContact CE-OE1 3.37Å; K15-E19 HydrophobicContact CG-CG 4.37Å; K15-E19 WeakPolarHBondContact CG-OE1 3.37Å; K15-E19 WeakPolarHBondContact O-CB 3.45Å; K15-E19 VanDerWaalsContact O-CG 3.3Å; K15-E19 WeakPolarHBondContact O-CG 3.43Å; K15-E19 PolarHBondContact O-N 3.41Å; K15-F42 WeakPolarHBondContact CE-O 3.45Å; K15-F42 HydrophobicContact CG-CB 3.94Å; K15-F42 PolarHBondContact NZ-O 3.33Å; K15-T44 HydrophobicContact CB-CG2 4.26Å; K15-T44 HydrophobicContact CD-CG2 4.13Å; K15-E47 IonicContact NZ-OE1 2.71Å; K15-E47 PolarHBondContact NZ-OE1 2.87Å; K15-E47 IonicContact NZ-OE2 2.61Å; K15-E47 PolarHBondContact NZ-OE2 3.19Å
16R81.2Confident80.2Confident180 Ų18090.5 Ų90.568%0.67945%0.446SS*.Hα-helixtrans-60.7-38.9178.7-71.9179.3-174.4174.15.1113.5D12 H14 K20D12-R16 WeakPolarHBondContact O-CG 3.45Å; D12-R16 PolarHBondContact O-N 3.18Å; H14-R16 PolarHBondContact O-N 3.37Å; R16-K20 VanDerWaalsContact O-CB 3.3Å; R16-K20 WeakPolarHBondContact O-CB 3.49Å; R16-K20 PolarHBondContact O-N 2.93Å; R16-K20 VanDerWaalsContact O-N 3.14Å
17Y81.2Confident80.3Confident140 Ų14088 Ų8855%0.54943%0.429SS..Hα-helixtrans-65.1-47178.4-178.7-90000111.3L13 H14 K15 K20 H21L13-Y17 PolarHBondContact O-N 2.94Å; L13-Y17 VanDerWaalsContact O-N 3.16Å; H14-Y17 PolarHBondContact O-N 3Å; K15-Y17 VanDerWaalsContact C-N 3.34Å; K15-Y17 PolarHBondContact O-N 3Å; Y17-K20 PolarHBondContact O-N 2.88Å; Y17-H21 AromaticContact CD2-CD2 3.58Å; Y17-H21 HydrophobicContact CE1-CB 4.46Å; Y17-H21 AromaticContact CE2-CD2 3.6Å; Y17-H21 WeakPolarHBondContact O-CB 3.3Å; Y17-H21 PolarHBondContact O-CD2 3.14Å; Y17-H21 VanDerWaalsContact O-CD2 3.28Å; Y17-H21 PolarHBondContact O-N 2.85Å
18W85.2Confident80.5Confident89 Ų8991.6 Ų91.634%0.33744%0.444SS..Hα-helixtrans-72.5-38.8-177.6-7249.5000112.2V7 M9 H14 K15 K20 H21 L22 A23 F42V7-W18 HydrophobicContact CG1-CE3 4.26Å; V7-W18 HydrophobicContact CG1-CZ3 4.08Å; M9-W18 HydrophobicContact CE-CB 3.52Å; M9-W18 HydrophobicContact CE-CD2 3.5Å; M9-W18 HydrophobicContact CE-CE3 4.21Å; M9-W18 HydrophobicContact CE-CG 3.15Å; M9-W18 HydrophobicContact SD-CB 4.49Å; M9-W18 HydrophobicContact SD-CD2 4.1Å; M9-W18 HydrophobicContact SD-CE3 4.24Å; M9-W18 HydrophobicContact SD-CG 4.24Å; H14-W18 PolarHBondContact O-N 3.22Å; K15-W18 PolarHBondContact O-N 3.26Å; W18-K20 VanDerWaalsContact C-N 3.26Å; W18-K20 PolarHBondContact O-N 3.25Å; W18-H21 PolarHBondContact O-N 2.88Å; W18-L22 HydrophobicContact CB-CB 4.44Å; W18-L22 HydrophobicContact CB-CD1 4.26Å; W18-L22 HydrophobicContact CD2-CD1 3.5Å; W18-L22 HydrophobicContact CE3-CD1 3.77Å; W18-L22 HydrophobicContact CG-CD1 3.72Å; W18-L22 HydrophobicContact CZ2-CD1 4.49Å; W18-L22 HydrophobicContact CZ3-CD1 4.4Å; W18-L22 WeakPolarHBondContact O-CA 3.29Å; W18-L22 WeakPolarHBondContact O-CB 3.29Å; W18-L22 PolarHBondContact O-N 2.8Å; W18-A23 PolarHBondContact O-N 3.1Å; W18-A23 VanDerWaalsContact O-N 3.11Å; W18-F42 HydrophobicContact CB-CD1 4Å; W18-F42 HydrophobicContact CB-CE1 3.68Å; W18-F42 HydrophobicContact CB-CZ 4.02Å; W18-F42 HydrophobicContact CD2-CE1 4.49Å; W18-F42 AromaticContact CE3-CE1 3.87Å; W18-F42 HydrophobicContact CE3-CE1 3.87Å; W18-F42 HydrophobicContact CG-CE1 4.49Å
19E85.3Confident80.4Confident85 Ų8590.7 Ų90.740%0.39744%0.44SS..Hα-helixtrans-54.3-45.5171.4-79.3174.9167.700111.2K15 A23 F42K15-E19 WeakPolarHBondContact CE-OE1 3.37Å; K15-E19 HydrophobicContact CG-CG 4.37Å; K15-E19 WeakPolarHBondContact CG-OE1 3.37Å; K15-E19 WeakPolarHBondContact O-CB 3.45Å; K15-E19 VanDerWaalsContact O-CG 3.3Å; K15-E19 WeakPolarHBondContact O-CG 3.43Å; K15-E19 PolarHBondContact O-N 3.41Å; E19-A23 WeakPolarHBondContact O-CB 3.41Å; E19-F42 HydrophobicContact CB-CD2 4.29Å; E19-F42 HydrophobicContact CG-CB 4.1Å; E19-F42 HydrophobicContact CG-CD2 3.33Å; E19-F42 HydrophobicContact CG-CE2 4Å; E19-F42 HydrophobicContact CG-CG 3.96Å
20K82.3Confident80.3Confident169 Ų16990.7 Ų90.774%0.73544%0.442SS*.Hα-helixtrans-76.2-35.5-177.1-170.9176.1179.7-176.80113.9R16 Y17 W18R16-K20 VanDerWaalsContact O-CB 3.3Å; R16-K20 WeakPolarHBondContact O-CB 3.49Å; R16-K20 PolarHBondContact O-N 2.93Å; R16-K20 VanDerWaalsContact O-N 3.14Å; Y17-K20 PolarHBondContact O-N 2.88Å; W18-K20 VanDerWaalsContact C-N 3.26Å; W18-K20 PolarHBondContact O-N 3.25Å
21H82.2Confident80.9Confident105 Ų10587.5 Ų87.549%0.48643%0.426SS..Hα-helixtrans-114.6-21.5-166.3-64.4-64.5000115.3Y17 W18Y17-H21 AromaticContact CD2-CD2 3.58Å; Y17-H21 HydrophobicContact CE1-CB 4.46Å; Y17-H21 AromaticContact CE2-CD2 3.6Å; Y17-H21 WeakPolarHBondContact O-CB 3.3Å; Y17-H21 PolarHBondContact O-CD2 3.14Å; Y17-H21 VanDerWaalsContact O-CD2 3.28Å; Y17-H21 PolarHBondContact O-N 2.85Å; W18-H21 PolarHBondContact O-N 2.88Å
22L82.2Confident80.8Confident55 Ų5593.7 Ų93.729%0.28845%0.446SS..THydrogen-bonded Turntrans-118.3-21.1-172.7-73.3164.9000113.8W18 A24 K25 I26W18-L22 HydrophobicContact CB-CB 4.44Å; W18-L22 HydrophobicContact CB-CD1 4.26Å; W18-L22 HydrophobicContact CD2-CD1 3.5Å; W18-L22 HydrophobicContact CE3-CD1 3.77Å; W18-L22 HydrophobicContact CG-CD1 3.72Å; W18-L22 HydrophobicContact CZ2-CD1 4.49Å; W18-L22 HydrophobicContact CZ3-CD1 4.4Å; W18-L22 WeakPolarHBondContact O-CA 3.29Å; W18-L22 WeakPolarHBondContact O-CB 3.29Å; W18-L22 PolarHBondContact O-N 2.8Å; L22-A24 PolarHBondContact O-N 3.38Å; L22-K25 PolarHBondContact O-N 3.18Å; L22-I26 PolarHBondContact O-N 3.03Å
23A81.6Confident80.7Confident28 Ų2894.7 Ų94.723%0.23146%0.456CS..Hα-helixtrans-52.2-50.8-177.500000113.2W18 E19 K25 I26 V27 P40 F42W18-A23 PolarHBondContact O-N 3.1Å; W18-A23 VanDerWaalsContact O-N 3.11Å; E19-A23 WeakPolarHBondContact O-CB 3.41Å; A23-K25 VanDerWaalsContact C-N 3.27Å; A23-K25 PolarHBondContact O-N 3.46Å; A23-I26 PolarHBondContact O-N 3.44Å; A23-V27 WeakPolarHBondContact O-CG2 2.92Å; A23-V27 PolarHBondContact O-N 3.14Å; A23-V27 VanDerWaalsContact O-N 3.14Å; A23-P40 HydrophobicContact CB-CG 4.18Å; A23-F42 HydrophobicContact CB-CE2 4Å; A23-F42 HydrophobicContact CB-CZ 4.44Å
24A83.2Confident80.9Confident82 Ų8291.3 Ų91.368%0.67844%0.441SS*.Hα-helixtrans-62.4-34.6179.300000112.8L22 V27 E28L22-A24 PolarHBondContact O-N 3.38Å; A24-V27 PolarHBondContact O-N 3.45Å; A24-E28 PolarHBondContact O-N 2.98Å
25K81.8Confident81.1Confident124 Ų12489.1 Ų89.154%0.53945%0.445SS..Hα-helixtrans-74.1-35-179.3-155.5168.2-175.5179.90111.8L22 A23 E28 I29L22-K25 PolarHBondContact O-N 3.18Å; A23-K25 VanDerWaalsContact C-N 3.27Å; A23-K25 PolarHBondContact O-N 3.46Å; K25-E28 PolarHBondContact O-N 3.16Å; K25-I29 HydrophobicContact CG-CD1 4.2Å; K25-I29 WeakPolarHBondContact O-CB 3.36Å; K25-I29 VanDerWaalsContact O-CG1 3.28Å; K25-I29 WeakPolarHBondContact O-CG1 3.43Å; K25-I29 PolarHBondContact O-N 3.44Å
26I78.6Confident81Confident37 Ų3791 Ų9119%0.1946%0.456CS..Hα-helixtrans-65.2-42.3172.9-66.3168.3000110.5L5 L22 A23 I29 G30 P40 F42L5-I26 HydrophobicContact CD2-CG2 4.21Å; L22-I26 PolarHBondContact O-N 3.03Å; A23-I26 PolarHBondContact O-N 3.44Å; I26-I29 PolarHBondContact O-N 3.46Å; I26-G30 PolarHBondContact O-N 2.94Å; I26-P40 HydrophobicContact CB-CB 4.44Å; I26-P40 HydrophobicContact CB-CG 4.04Å; I26-P40 HydrophobicContact CD1-CB 3.9Å; I26-P40 HydrophobicContact CD1-CG 4.06Å; I26-P40 HydrophobicContact CG2-CB 4.05Å; I26-P40 HydrophobicContact CG2-CG 4.03Å; I26-F42 HydrophobicContact CD1-CE1 4.16Å; I26-F42 HydrophobicContact CD1-CZ 3.91Å
27V84Confident80.9Confident39 Ų3987.7 Ų87.724%0.23645%0.448CS..Hα-helixtrans-61.6-46.2175.41770000110.8A23 A24 G30 F31 I38A23-V27 WeakPolarHBondContact O-CG2 2.92Å; A23-V27 PolarHBondContact O-N 3.14Å; A23-V27 VanDerWaalsContact O-N 3.14Å; A24-V27 PolarHBondContact O-N 3.45Å; V27-G30 PolarHBondContact O-N 3.48Å; V27-F31 WeakPolarHBondContact O-CB 3.13Å; V27-F31 PolarHBondContact O-N 3.37Å; V27-I38 WeakPolarHBondContact CA-O 3.2Å; V27-I38 WeakPolarHBondContact CG2-O 3.38Å
28E81.2Confident80.9Confident101 Ų10182.4 Ų82.447%0.47243%0.429SS..Hα-helixtrans-61.5-46.1178.7-167.8-160.7147.600112.5A24 K25 K32A24-E28 PolarHBondContact O-N 2.98Å; K25-E28 PolarHBondContact O-N 3.16Å; E28-K32 PolarHBondContact O-N 3.07Å; E28-K32 VanDerWaalsContact O-N 3.1Å; E28-K32 IonicContact OE1-NZ 2.7Å; E28-K32 PolarHBondContact OE1-NZ 2.61Å
29I79.7Confident80.9Confident91 Ų9183.2 Ų83.247%0.46744%0.438SS..Hα-helixtrans-69.4-42.4179.3-67.9169.6000110.5K25 I26 F31 K32 V33K25-I29 HydrophobicContact CG-CD1 4.2Å; K25-I29 WeakPolarHBondContact O-CB 3.36Å; K25-I29 VanDerWaalsContact O-CG1 3.28Å; K25-I29 WeakPolarHBondContact O-CG1 3.43Å; K25-I29 PolarHBondContact O-N 3.44Å; I26-I29 PolarHBondContact O-N 3.46Å; I29-F31 VanDerWaalsContact C-N 3.34Å; I29-F31 PolarHBondContact O-N 3.29Å; I29-K32 PolarHBondContact O-N 2.99Å; I29-V33 HydrophobicContact CG2-CG2 4.11Å; I29-V33 VanDerWaalsContact O-CG2 3.3Å; I29-V33 WeakPolarHBondContact O-CG2 3.28Å; I29-V33 PolarHBondContact O-N 2.8Å
30G78.2Confident80.8Confident7 Ų780.2 Ų80.27%0.07243%0.426CS..Hα-helixtrans-56.2-50.1176.800000111.2I26 V27 K32 V33 T34I26-G30 PolarHBondContact O-N 2.94Å; V27-G30 PolarHBondContact O-N 3.48Å; G30-K32 VanDerWaalsContact C-N 3.34Å; G30-K32 PolarHBondContact O-N 3.47Å; G30-V33 PolarHBondContact O-N 2.85Å; G30-V33 VanDerWaalsContact O-N 3.16Å; G30-T34 PolarHBondContact O-N 2.71Å; G30-T34 PolarHBondContact O-OG1 3.06Å
31F81.2Confident81.1Confident116 Ų11676.4 Ų76.451%0.50941%0.413SS..Hα-helixtrans-61.1-40.5176.7-171-100.5000112.7V27 I29 V33 G35 D36 E37V27-F31 WeakPolarHBondContact O-CB 3.13Å; V27-F31 PolarHBondContact O-N 3.37Å; I29-F31 VanDerWaalsContact C-N 3.34Å; I29-F31 PolarHBondContact O-N 3.29Å; F31-V33 VanDerWaalsContact C-N 3.34Å; F31-V33 PolarHBondContact O-N 2.74Å; F31-G35 VanDerWaalsContact O-CA 3.31Å; F31-G35 WeakPolarHBondContact O-CA 3.4Å; F31-G35 PolarHBondContact O-N 2.83Å; F31-D36 WeakPolarHBondContact CA-O 3.32Å; F31-E37 HydrophobicContact CD2-CG 4.32Å
32K76Confident81.3Confident153 Ų15371.9 Ų71.967%0.66539%0.392SS*.Hα-helixtrans-64-34.4175.7-85.7175.4174.7162.50113.6E28 I29 G30E28-K32 PolarHBondContact O-N 3.07Å; E28-K32 VanDerWaalsContact O-N 3.1Å; E28-K32 IonicContact OE1-NZ 2.7Å; E28-K32 PolarHBondContact OE1-NZ 2.61Å; I29-K32 PolarHBondContact O-N 2.99Å; G30-K32 VanDerWaalsContact C-N 3.34Å; G30-K32 PolarHBondContact O-N 3.47Å
33V75.9Confident81.4Confident115 Ų11570.3 Ų70.370%0.69739%0.385SS*.Hα-helixtrans-90.1-39.1-173.8175.30000112I29 G30 F31I29-V33 HydrophobicContact CG2-CG2 4.11Å; I29-V33 VanDerWaalsContact O-CG2 3.3Å; I29-V33 WeakPolarHBondContact O-CG2 3.28Å; I29-V33 PolarHBondContact O-N 2.8Å; G30-V33 PolarHBondContact O-N 2.85Å; G30-V33 VanDerWaalsContact O-N 3.16Å; F31-V33 VanDerWaalsContact C-N 3.34Å; F31-V33 PolarHBondContact O-N 2.74Å
34T79.4Confident81.3Confident74 Ų7469.2 Ų69.245%0.45438%0.375SS..Hα-helixtrans-109.7-17.4-172.667.50000114.1G30 D36 I38G30-T34 PolarHBondContact O-N 2.71Å; G30-T34 PolarHBondContact O-OG1 3.06Å; T34-D36 PolarHBondContact O-N 3.08Å; T34-D36 PolarHBondContact OG1-N 3.45Å; T34-D36 PolarHBondContact OG1-O 3.44Å; T34-I38 HydrophobicContact CG2-CD1 3.75Å
35G80.7Confident80.9Confident50 Ų5068.8 Ų68.852%0.51537%0.366SS..SBendtrans76.5-0.4-17100000114.5F31F31-G35 VanDerWaalsContact O-CA 3.31Å; F31-G35 WeakPolarHBondContact O-CA 3.4Å; F31-G35 PolarHBondContact O-N 2.83Å
36D80Confident80.4Confident71 Ų7170.5 Ų70.538%0.3838%0.381SS..SBendtrans-116146.4177.1-84.1-58.3000110.5M1 F31 T34 I38M1-D36 PolarHBondContact N-OD1 3.45Å; F31-D36 WeakPolarHBondContact CA-O 3.32Å; T34-D36 PolarHBondContact O-N 3.08Å; T34-D36 PolarHBondContact OG1-N 3.45Å; T34-D36 PolarHBondContact OG1-O 3.44Å; D36-I38 PolarHBondContact O-N 3.25Å
37E79.7Confident80.1Confident111 Ų11173 Ų7352%0.51939%0.391SS..  trans-66.4117.7171.5-77.1-174.9160.900110.4T2 S3 F31T2-E37 WeakPolarHBondContact CA-O 3.3Å; T2-E37 HydrophobicContact CG2-CB 4.29Å; S3-E37 PolarHBondContact N-O 3.18Å; F31-E37 HydrophobicContact CD2-CG 4.32Å
38I81.3Confident78.8Confident28 Ų2873.2 Ų73.214%0.14440%0.397CS..EExtended strand (participates in β ladder)trans-103109174.6-57.8-177.1000108.8S3 L5 V27 T34 D36S3-I38 CarbonylContact O-C 3.55Å; S3-I38 VanDerWaalsContact O-CA 3.31Å; S3-I38 WeakPolarHBondContact O-CA 3.31Å; L5-I38 HydrophobicContact CB-CG2 3.52Å; L5-I38 HydrophobicContact CD2-CG2 4.22Å; L5-I38 HydrophobicContact CG-CG2 4.47Å; V27-I38 WeakPolarHBondContact CA-O 3.2Å; V27-I38 WeakPolarHBondContact CG2-O 3.38Å; T34-I38 HydrophobicContact CG2-CD1 3.75Å; D36-I38 PolarHBondContact O-N 3.25Å
39M84.2Confident77.2Confident106 Ų10673.1 Ų73.152%0.52241%0.405SS..EExtended strand (participates in β ladder)trans-90.2120.6175-71.7-162.890.300110.7T2 S3 I4 L5T2-M39 HydrophobicContact CG2-CB 4.46Å; T2-M39 HydrophobicContact CG2-CG 3.76Å; T2-M39 HydrophobicContact CG2-SD 4.08Å; S3-M39 PolarHBondContact O-N 3.12Å; I4-M39 CarbonylContact C-O 3.51Å; I4-M39 WeakPolarHBondContact CA-O 3.29Å; L5-M39 PolarHBondContact N-O 2.94Å
40P84.6Confident75.5Confident22 Ų2275 Ų7514%0.14342%0.423CS..EExtended strand (participates in β ladder)trans-71.2134.3173.428.6-32.2000111L5 V7 A23 I26 F42L5-P40 CarbonylContact O-C 3.58Å; L5-P40 VanDerWaalsContact O-CA 3.29Å; L5-P40 WeakPolarHBondContact O-CA 3.39Å; V7-P40 HydrophobicContact CG2-CB 4.22Å; A23-P40 HydrophobicContact CB-CG 4.18Å; I26-P40 HydrophobicContact CB-CB 4.44Å; I26-P40 HydrophobicContact CB-CG 4.04Å; I26-P40 HydrophobicContact CD1-CB 3.9Å; I26-P40 HydrophobicContact CD1-CG 4.06Å; I26-P40 HydrophobicContact CG2-CB 4.05Å; I26-P40 HydrophobicContact CG2-CG 4.03Å; P40-F42 HydrophobicContact CB-CD2 4.48Å; P40-F42 HydrophobicContact CB-CE1 4.16Å; P40-F42 HydrophobicContact CB-CE2 3.8Å; P40-F42 HydrophobicContact CB-CZ 3.64Å; P40-F42 HydrophobicContact CG-CE2 3.77Å; P40-F42 HydrophobicContact CG-CZ 3.8Å
41L87.6Confident73.5Confident90 Ų9080.7 Ų80.747%0.47146%0.457SS..EExtended strand (participates in β ladder)trans-109.6104.7168.217868.2000108.5I4 L5 P6 V7 V43I4-L41 HydrophobicContact CG2-CB 3.55Å; I4-L41 HydrophobicContact CG2-CD2 4.23Å; L5-L41 PolarHBondContact O-N 3.49Å; P6-L41 CarbonylContact C-O 3.59Å; P6-L41 WeakPolarHBondContact CA-O 3.38Å; V7-L41 PolarHBondContact N-O 2.85Å; L41-V43 HydrophobicContact CD2-CG1 4.36Å; L41-V43 HydrophobicContact CG-CG1 4.15Å
42F85.8Confident71.2Confident9 Ų979.5 Ų79.54%0.03946%0.463CS..EExtended strand (participates in β ladder)trans-82.8121.4179.1-56.3-77.9000110.1V7 M9 K15 W18 E19 A23 I26 P40V7-F42 HydrophobicContact CB-CD1 3.71Å; V7-F42 HydrophobicContact CB-CE1 3.97Å; V7-F42 HydrophobicContact CG1-CD1 3.96Å; V7-F42 HydrophobicContact CG1-CE1 4.07Å; V7-F42 HydrophobicContact CG2-CD1 4.33Å; V7-F42 HydrophobicContact CG2-CE1 4.15Å; V7-F42 WeakPolarHBondContact O-CA 3.47Å; M9-F42 HydrophobicContact CE-CD1 4.33Å; M9-F42 HydrophobicContact CG-CB 3.91Å; M9-F42 HydrophobicContact CG-CD1 4.13Å; M9-F42 HydrophobicContact CG-CG 4.49Å; M9-F42 HydrophobicContact SD-CD1 3.7Å; M9-F42 HydrophobicContact SD-CE1 4.46Å; K15-F42 WeakPolarHBondContact CE-O 3.45Å; K15-F42 HydrophobicContact CG-CB 3.94Å; K15-F42 PolarHBondContact NZ-O 3.33Å; W18-F42 HydrophobicContact CB-CD1 4Å; W18-F42 HydrophobicContact CB-CE1 3.68Å; W18-F42 HydrophobicContact CB-CZ 4.02Å; W18-F42 HydrophobicContact CD2-CE1 4.49Å; W18-F42 AromaticContact CE3-CE1 3.87Å; W18-F42 HydrophobicContact CE3-CE1 3.87Å; W18-F42 HydrophobicContact CG-CE1 4.49Å; E19-F42 HydrophobicContact CB-CD2 4.29Å; E19-F42 HydrophobicContact CG-CB 4.1Å; E19-F42 HydrophobicContact CG-CD2 3.33Å; E19-F42 HydrophobicContact CG-CE2 4Å; E19-F42 HydrophobicContact CG-CG 3.96Å; A23-F42 HydrophobicContact CB-CE2 4Å; A23-F42 HydrophobicContact CB-CZ 4.44Å; I26-F42 HydrophobicContact CD1-CE1 4.16Å; I26-F42 HydrophobicContact CD1-CZ 3.91Å; P40-F42 HydrophobicContact CB-CD2 4.48Å; P40-F42 HydrophobicContact CB-CE1 4.16Å; P40-F42 HydrophobicContact CB-CE2 3.8Å; P40-F42 HydrophobicContact CB-CZ 3.64Å; P40-F42 HydrophobicContact CG-CE2 3.77Å; P40-F42 HydrophobicContact CG-CZ 3.8Å
43V84.6Confident69Low23 Ų2380.1 Ų80.114%0.13947%0.472CS..EExtended strand (participates in β ladder)trans-128.2138.6-178.8-77.40000110.1V7 M8 M9 L41V7-V43 PolarHBondContact O-N 2.96Å; M8-V43 CarbonylContact C-O 3.45Å; M8-V43 WeakPolarHBondContact CA-O 3.31Å; M8-V43 HydrophobicContact CG-CG2 4.44Å; M8-V43 HydrophobicContact SD-CB 4.48Å; M8-V43 HydrophobicContact SD-CG2 3.59Å; M8-V43 VanDerWaalsContact SD-CG2 3.59Å; M9-V43 PolarHBondContact N-O 2.79Å; L41-V43 HydrophobicContact CD2-CG1 4.36Å; L41-V43 HydrophobicContact CG-CG1 4.15Å
44T80.5Confident67Low4 Ų480 Ų803%0.02547%0.471CS..  trans-86.7159.216856.70000110.3M9 K15 D46 E47 A48M9-T44 HydrophobicContact CB-CG2 4.44Å; K15-T44 HydrophobicContact CB-CG2 4.26Å; K15-T44 HydrophobicContact CD-CG2 4.13Å; T44-D46 PolarHBondContact O-N 3.16Å; T44-D46 VanDerWaalsContact O-N 3.12Å; T44-E47 PolarHBondContact N-OE2 3.49Å; T44-E47 PolarHBondContact O-N 2.88Å; T44-E47 VanDerWaalsContact OG1-CG 3.28Å; T44-E47 WeakPolarHBondContact OG1-CG 3.1Å; T44-E47 PolarHBondContact OG1-OE2 3.38Å; T44-A48 PolarHBondContact O-N 2.7Å
45P73Confident64.6Low74 Ų7485.6 Ų85.648%0.48149%0.492SS..THydrogen-bonded Turntrans-49.1-35.1173.8-28.632.7000114M8 M9 E47M8-P45 HydrophobicContact CE-CB 4.31Å; M8-P45 HydrophobicContact CE-CG 3.97Å; M9-P45 WeakPolarHBondContact O-CD 3.38Å; P45-E47 VanDerWaalsContact C-N 3.33Å; P45-E47 PolarHBondContact O-N 2.85Å
46D73.1Confident62.3Low160 Ų16092.6 Ų92.686%0.85651%0.508SS*.THydrogen-bonded Turntrans-75.6-18.6179.9-58.2-32.5000113.6T44T44-D46 PolarHBondContact O-N 3.16Å; T44-D46 VanDerWaalsContact O-N 3.12Å
47E72.2Confident60.1Low88 Ų8898.3 Ų98.341%0.41153%0.533SS..THydrogen-bonded Turntrans-98.4-11.1179.9-69.6173.415800113.3K15 T44 P45K15-E47 IonicContact NZ-OE1 2.71Å; K15-E47 PolarHBondContact NZ-OE1 2.87Å; K15-E47 IonicContact NZ-OE2 2.61Å; K15-E47 PolarHBondContact NZ-OE2 3.19Å; T44-E47 PolarHBondContact N-OE2 3.49Å; T44-E47 PolarHBondContact O-N 2.88Å; T44-E47 VanDerWaalsContact OG1-CG 3.28Å; T44-E47 WeakPolarHBondContact OG1-CG 3.1Å; T44-E47 PolarHBondContact OG1-OE2 3.38Å; P45-E47 VanDerWaalsContact C-N 3.33Å; P45-E47 PolarHBondContact O-N 2.85Å
48A56.7Low57.8Low44 Ų44101 Ų10136%0.36455%0.545SS..SBendtrans-67124.6179.800000109.9T44T44-A48 PolarHBondContact O-N 2.7Å
49P46.5Very low55.5Low99 Ų99104.9 Ų104.964%0.64357%0.573SS**  trans-63.6143.5175.325.2-30.7000109.7V51P49-V51 PolarHBondContact O-N 3.31Å
50P43.5Very low53.2Low130 Ų130105.6 Ų105.684%0.84459%0.585SS**  trans-63.3107.4175.924.4-30.6000108.6S52P50-S52 PolarHBondContact O-N 3.06Å
51V37Very low50.7Low127 Ų127113.4 Ų113.477%0.7762%0.617SS**  trans-76.5108.5178.9-178.80000108.4P49 I53P49-V51 PolarHBondContact O-N 3.31Å; V51-I53 PolarHBondContact O-N 3.44Å
52S33.7Very low47.9Very low91 Ų91117.3 Ų117.364%0.63664%0.635SS**  trans-58.9121.4163.152.50000109.7P50 V54P50-S52 PolarHBondContact O-N 3.06Å; S52-V54 PolarHBondContact O-N 3.32Å
53I29.1Very low45.3Very low166 Ų166125.7 Ų125.785%0.85167%0.674SS**  trans-65.6105.6173.4-58.3169.4000107.5V51V51-I53 PolarHBondContact O-N 3.44Å
54V34.7Very low42.8Very low114 Ų114130.6 Ų130.669%0.69170%0.704SS**  trans-94.6116.4166.1177.80000106.5S52 K56S52-V54 PolarHBondContact O-N 3.32Å; V54-K56 PolarHBondContact O-N 3.14Å; V54-K56 VanDerWaalsContact O-N 3.15Å
55E28.5Very low40.5Very low190 Ų190135.9 Ų135.989%0.88874%0.736SS**  trans-53.2115.3170.6-71.5175.8157.100109.4
56K33Very low38.8Very low197 Ų197142.2 Ų142.286%0.85776%0.756SS**  trans-109.3124.8169.2-106-178176.61790108.5V54V54-K56 PolarHBondContact O-N 3.14Å; V54-K56 VanDerWaalsContact O-N 3.15Å
57E32.6Very low37.1Very low191 Ų191145.4 Ų145.489%0.89376%0.757SS**  trans-45.5138.8-179.8-65.5173.2144.600113.3
58E31.1Very low35.6Very low167 Ų167144.7 Ų144.778%0.7877%0.766SS**PPolyproline II helixtrans-56.2129.8176.5-77.4-176142.300111.5
59P34.2Very low35.1Very low111 Ų111152.3 Ų152.372%0.72180%0.796SS**PPolyproline II helixtrans-68.4149164.429.1-29.6000109.4K61P59-K61 PolarHBondContact O-N 3.32Å
60P35.1Very low35.5Very low121 Ų121154.5 Ų154.579%0.78680%0.802SS**PPolyproline II helixtrans-59132.3-172.723.6-32.3000111.1M62P60-M62 PolarHBondContact O-N 2.76Å
61K31.7Very low36.3Very low186 Ų186152 Ų15281%0.80978%0.781SS**  trans-52.3104.8176.7-71.9179.4178.8177.40110.3P59 E63P59-K61 PolarHBondContact O-N 3.32Å; K61-E63 PolarHBondContact O-N 3.43Å
62M29.9Very low37.6Very low172 Ų172151.2 Ų151.285%0.84778%0.779SS**  trans-75.4115.1161.5-83.9-173.4175.100108P60 T64P60-M62 PolarHBondContact O-N 2.76Å; M62-T64 VanDerWaalsContact C-N 3.32Å; M62-T64 PolarHBondContact O-N 3.07Å
63E29.7Very low38.9Very low184 Ų184154.5 Ų154.586%0.8678%0.782SS**  trans-60.590.3168.4-74.6-177.3143.800110.2K61 T65K61-E63 PolarHBondContact O-N 3.43Å; E63-T65 VanDerWaalsContact C-N 3.27Å; E63-T65 PolarHBondContact O-N 3.29Å
64T32.2Very low40.9Very low127 Ų127153.4 Ų153.478%0.77977%0.768SS**  trans-86.570.9165.752.30000109.5M62 K66M62-T64 VanDerWaalsContact C-N 3.32Å; M62-T64 PolarHBondContact O-N 3.07Å; T64-K66 VanDerWaalsContact C-N 3.3Å; T64-K66 PolarHBondContact O-N 3.02Å; T64-K66 VanDerWaalsContact O-N 3.14Å
65T32.5Very low42.8Very low114 Ų114150.9 Ų150.970%0.69975%0.753SS**  trans-7790.6155.843.20000107.3E63 R67E63-T65 VanDerWaalsContact C-N 3.27Å; E63-T65 PolarHBondContact O-N 3.29Å; T65-R67 PolarHBondContact O-N 3.25Å
66K37.4Very low45.2Very low207 Ų207146.2 Ų146.290%0.973%0.729SS**  trans-60.592.4156.8-82.4-173.6177.4177.70105.9T64 A68T64-K66 VanDerWaalsContact C-N 3.3Å; T64-K66 PolarHBondContact O-N 3.02Å; T64-K66 VanDerWaalsContact O-N 3.14Å; K66-A68 PolarHBondContact O-N 3.32Å; K66-A68 VanDerWaalsContact O-N 3.08Å
67R37Very low47.3Very low228 Ų228144.3 Ų144.386%0.8673%0.729SS**  trans-51119.8170.5-80.3-179.1173.2175.8-2.2106.8T65 M69T65-R67 PolarHBondContact O-N 3.25Å; R67-M69 PolarHBondContact O-N 2.96Å
68A41.7Very low49.5Very low73 Ų73138.9 Ų138.960%0.60371%0.709SS**  trans-47.4132.6170.500000108.2K66 L70K66-A68 PolarHBondContact O-N 3.32Å; K66-A68 VanDerWaalsContact O-N 3.08Å; A68-L70 HydrophobicContact CB-CD1 4.13Å; A68-L70 HydrophobicContact CB-CG 4.01Å; A68-L70 PolarHBondContact O-N 3.03Å
69M45.9Very low51.8Low204 Ų204134.5 Ų134.5100%1.00569%0.687SS**  trans-70.251.5177.5-75.8-174.3163.200111.4R67R67-M69 PolarHBondContact O-N 2.96Å
70L55.4Low54.1Low144 Ų144135 Ų13575%0.75469%0.688SS**  trans-93.8123.9174.8-61.8176.5000108.2A68 P72A68-L70 HydrophobicContact CB-CD1 4.13Å; A68-L70 HydrophobicContact CB-CG 4.01Å; A68-L70 PolarHBondContact O-N 3.03Å; L70-P72 VanDerWaalsContact O-CD 3.29Å; L70-P72 WeakPolarHBondContact O-CD 3.34Å
71N59.9Low56.3Low78 Ų78133.7 Ų133.742%0.41767%0.673SS.*  trans-74.5115.2174-177.2-14.1000108.8K73 Y74N71-K73 PolarHBondContact O-N 3.29Å; N71-K73 WeakPolarHBondContact OD1-CB 3.35Å; N71-K73 PolarHBondContact OD1-N 3.31Å; N71-Y74 HydrophobicContact CB-CD2 3.79Å; N71-Y74 HydrophobicContact CB-CE2 4.25Å; N71-Y74 WeakPolarHBondContact ND2-CE2 3.45Å; N71-Y74 PolarHBondContact O-N 3.01Å
72P64.7Low58.7Low111 Ų111126.6 Ų126.672%0.72165%0.653SS**THydrogen-bonded Turntrans-65.5-8.6-176.226.4-34.4000113.8L70 Y74L70-P72 VanDerWaalsContact O-CD 3.29Å; L70-P72 WeakPolarHBondContact O-CD 3.34Å; P72-Y74 VanDerWaalsContact C-N 3.34Å
73K61.6Low60.7Low159 Ų159128.4 Ų128.469%0.69166%0.656SS**THydrogen-bonded Turntrans-80.2-9.8172.3-66.6-173.7177.6-1780114.2N71 T78N71-K73 PolarHBondContact O-N 3.29Å; N71-K73 WeakPolarHBondContact OD1-CB 3.35Å; N71-K73 PolarHBondContact OD1-N 3.31Å; K73-T78 VanDerWaalsContact C-OG1 3.3Å; K73-T78 WeakPolarHBondContact O-CB 3.4Å; K73-T78 PolarHBondContact O-OG1 2.98Å
74Y69.7Low62.5Low144 Ų144123.8 Ų123.857%0.56566%0.658SS**  trans-11462.4-179.2-59.6-44.4000110.6N71 P72 F79N71-Y74 HydrophobicContact CB-CD2 3.79Å; N71-Y74 HydrophobicContact CB-CE2 4.25Å; N71-Y74 WeakPolarHBondContact ND2-CE2 3.45Å; N71-Y74 PolarHBondContact O-N 3.01Å; P72-Y74 VanDerWaalsContact C-N 3.34Å; Y74-F79 HydrophobicContact CD1-CD2 4.19Å
75T75Confident64.6Low60 Ų60119.8 Ų119.837%0.36863%0.632SS.*SBendtrans-89.4164.6165.867.70000109.5D77 T78 F79T75-D77 PolarHBondContact O-N 3.11Å; T75-D77 PolarHBondContact OG1-N 3.01Å; T75-T78 PolarHBondContact N-OG1 3.13Å; T75-T78 VanDerWaalsContact N-OG1 3.13Å; T75-T78 PolarHBondContact O-N 2.92Å; T75-T78 VanDerWaalsContact O-N 3.07Å; T75-T78 PolarHBondContact O-OG1 3.17Å; T75-T78 PolarHBondContact OG1-N 2.63Å; T75-T78 PolarHBondContact OG1-OG1 2.83Å; T75-F79 WeakPolarHBondContact O-CB 3.28Å; T75-F79 PolarHBondContact O-N 3.36Å
76F78.8Confident66.7Low92 Ų92120 Ų12040%0.40463%0.625SS.*THydrogen-bonded Turntrans-55-32.8172.7-68.5-65.7000112.2T78 H89 A92 L93 A96F76-T78 VanDerWaalsContact C-N 3.34Å; F76-T78 PolarHBondContact O-N 3.42Å; F76-H89 AromaticContact CD1-NE2 3.92Å; F76-A92 HydrophobicContact CE1-CB 3.93Å; F76-A92 HydrophobicContact CZ-CB 4.16Å; F76-A92 WeakPolarHBondContact CZ-O 3.35Å; F76-L93 HydrophobicContact CB-CD1 4.43Å; F76-L93 HydrophobicContact CD1-CB 4.38Å; F76-L93 HydrophobicContact CD1-CD1 3.75Å; F76-L93 HydrophobicContact CD2-CD1 4.42Å; F76-L93 HydrophobicContact CE1-CB 4.04Å; F76-L93 HydrophobicContact CE1-CD1 4.07Å; F76-L93 HydrophobicContact CG-CD1 3.96Å; F76-A96 HydrophobicContact CD2-CB 4.43Å; F76-A96 HydrophobicContact CE2-CB 3.34Å; F76-A96 HydrophobicContact CZ-CB 3.52Å
77D78Confident68.2Low157 Ų157117.9 Ų117.984%0.8462%0.62SS**THydrogen-bonded Turntrans-70.8-25.6179-54.6-46.7000113.9T75T75-D77 PolarHBondContact O-N 3.11Å; T75-D77 PolarHBondContact OG1-N 3.01Å
78T78.2Confident69.8Low77 Ų77110.3 Ų110.347%0.47261%0.606SS.*THydrogen-bonded Turntrans-114.2-6.8-172.260.90000114K73 T75 F76K73-T78 VanDerWaalsContact C-OG1 3.3Å; K73-T78 WeakPolarHBondContact O-CB 3.4Å; K73-T78 PolarHBondContact O-OG1 2.98Å; T75-T78 PolarHBondContact N-OG1 3.13Å; T75-T78 VanDerWaalsContact N-OG1 3.13Å; T75-T78 PolarHBondContact O-N 2.92Å; T75-T78 VanDerWaalsContact O-N 3.07Å; T75-T78 PolarHBondContact O-OG1 3.17Å; T75-T78 PolarHBondContact OG1-N 2.63Å; T75-T78 PolarHBondContact OG1-OG1 2.83Å; F76-T78 VanDerWaalsContact C-N 3.34Å; F76-T78 PolarHBondContact O-N 3.42Å
79F78.4Confident71.5Confident75 Ų75108 Ų10833%0.32958%0.583SS.*PPolyproline II helixtrans-77.4123.2-176.7-166.6-95.5000112.2Y74 T75 I81 N85 H89Y74-F79 HydrophobicContact CD1-CD2 4.19Å; T75-F79 WeakPolarHBondContact O-CB 3.28Å; T75-F79 PolarHBondContact O-N 3.36Å; F79-I81 PolarHBondContact O-N 3.39Å; F79-N85 HydrophobicContact CE1-CB 4.24Å; F79-N85 VanDerWaalsContact CE1-ND2 3.27Å; F79-N85 WeakPolarHBondContact CE1-ND2 3.36Å; F79-N85 HydrophobicContact CZ-CB 4.44Å; F79-H89 AromaticContact CD1-CD2 3.59Å; F79-H89 HydrophobicContact CE1-CB 4.39Å
80V82.9Confident73Confident122 Ų122100.6 Ų100.674%0.73955%0.554SS**PPolyproline II helixtrans-79.7116.5179.8-179.40000110.8N85V80-N85 PolarHBondContact O-ND2 2.75Å
81I81.7Confident73.6Confident93 Ų9395 Ų9548%0.47753%0.529SS..PPolyproline II helixtrans-88.1127.4-179.6-50.7171.5000110.4F79 Q86 H89F79-I81 PolarHBondContact O-N 3.39Å; I81-Q86 HydrophobicContact CG2-CB 4.18Å; I81-Q86 HydrophobicContact CG2-CG 4.31Å; I81-H89 VanDerWaalsContact CD1-CE1 3.45Å; I81-H89 WeakPolarHBondContact CD1-CE1 3.44Å
82G81.2Confident74.1Confident37 Ų3793.4 Ų93.438%0.38153%0.526SS..  trans-137.6173.1171.600000111.6G84 N85 Q86G82-G84 PolarHBondContact O-N 3.07Å; G82-N85 PolarHBondContact N-OD1 2.99Å; G82-N85 PolarHBondContact O-N 3.19Å; G82-N85 VanDerWaalsContact O-N 3.11Å; G82-N85 PolarHBondContact O-OD1 3.47Å; G82-Q86 WeakPolarHBondContact O-CB 3.43Å; G82-Q86 PolarHBondContact O-N 2.99Å
83K72.8Confident74.7Confident210 Ų21090.4 Ų90.491%0.91350%0.504SS*.THydrogen-bonded Turntrans-54.5-26.9-176-74.7-171.6176.3-176.70114.7
84G67.9Low75Confident87 Ų8784.8 Ų84.890%0.89748%0.483SS*.THydrogen-bonded Turntrans-84.9-20.1-177.800000115.5G82G82-G84 PolarHBondContact O-N 3.07Å
85N77Confident74.6Confident44 Ų4479.9 Ų79.924%0.23547%0.468CS..THydrogen-bonded Turntrans-122.2-1.8-177.466.16.7000113.1F79 V80 G82 M87 A88 H89F79-N85 HydrophobicContact CE1-CB 4.24Å; F79-N85 VanDerWaalsContact CE1-ND2 3.27Å; F79-N85 WeakPolarHBondContact CE1-ND2 3.36Å; F79-N85 HydrophobicContact CZ-CB 4.44Å; V80-N85 PolarHBondContact O-ND2 2.75Å; G82-N85 PolarHBondContact N-OD1 2.99Å; G82-N85 PolarHBondContact O-N 3.19Å; G82-N85 VanDerWaalsContact O-N 3.11Å; G82-N85 PolarHBondContact O-OD1 3.47Å; N85-M87 VanDerWaalsContact C-N 3.29Å; N85-M87 PolarHBondContact O-N 3.45Å; N85-A88 PolarHBondContact O-N 2.8Å; N85-A88 VanDerWaalsContact O-N 3.15Å; N85-H89 WeakPolarHBondContact O-CB 3.32Å; N85-H89 PolarHBondContact O-N 3.24Å
86Q75.2Confident74.2Confident119 Ų11979.7 Ų79.756%0.55647%0.472SS*.Hα-helixtrans-52.9-43.2179.3-174.6178.97.300112.9I81 G82 A90I81-Q86 HydrophobicContact CG2-CB 4.18Å; I81-Q86 HydrophobicContact CG2-CG 4.31Å; G82-Q86 WeakPolarHBondContact O-CB 3.43Å; G82-Q86 PolarHBondContact O-N 2.99Å; Q86-A90 VanDerWaalsContact O-CB 3.28Å; Q86-A90 WeakPolarHBondContact O-CB 3.3Å; Q86-A90 PolarHBondContact O-N 3.21Å
87M70.1Confident73.7Confident162 Ų16281.7 Ų81.780%0.79848%0.483SS*.Hα-helixtrans-68.8-40.7179.7-169.9176.3-173.800112.2N85 A91N85-M87 VanDerWaalsContact C-N 3.29Å; N85-M87 PolarHBondContact O-N 3.45Å; M87-A91 VanDerWaalsContact O-CB 3.32Å; M87-A91 WeakPolarHBondContact O-CB 3.49Å; M87-A91 PolarHBondContact O-N 3.2Å
88A69.2Low73Confident69 Ų6979.2 Ų79.257%0.5747%0.466SS*.Hα-helixtrans-69.1-40.8177.600000111.7N85 A91 A92N85-A88 PolarHBondContact O-N 2.8Å; N85-A88 VanDerWaalsContact O-N 3.15Å; A88-A91 PolarHBondContact O-N 2.85Å; A88-A92 VanDerWaalsContact O-CB 3.25Å; A88-A92 WeakPolarHBondContact O-CB 3.43Å; A88-A92 PolarHBondContact O-N 2.73Å
89H77.6Confident71.8Confident25 Ų2580.5 Ų80.512%0.11648%0.476CS..Hα-helixtrans-62.9-46.6174.1179.6-82.1000111.4F76 F79 I81 N85 A92 L93F76-H89 AromaticContact CD1-NE2 3.92Å; F79-H89 AromaticContact CD1-CD2 3.59Å; F79-H89 HydrophobicContact CE1-CB 4.39Å; I81-H89 VanDerWaalsContact CD1-CE1 3.45Å; I81-H89 WeakPolarHBondContact CD1-CE1 3.44Å; N85-H89 WeakPolarHBondContact O-CB 3.32Å; N85-H89 PolarHBondContact O-N 3.24Å; H89-A92 PolarHBondContact O-N 2.84Å; H89-L93 VanDerWaalsContact O-CB 3.25Å; H89-L93 WeakPolarHBondContact O-CB 3.34Å; H89-L93 PolarHBondContact O-N 2.81Å
90A77.6Confident70.4Confident47 Ų4779.6 Ų79.639%0.38849%0.487SS..Hα-helixtrans-61.7-44.8176.900000111.7Q86 L93 V94Q86-A90 VanDerWaalsContact O-CB 3.28Å; Q86-A90 WeakPolarHBondContact O-CB 3.3Å; Q86-A90 PolarHBondContact O-N 3.21Å; A90-L93 PolarHBondContact O-N 2.74Å; A90-V94 WeakPolarHBondContact O-CB 3.36Å; A90-V94 WeakPolarHBondContact O-CG2 3.49Å; A90-V94 PolarHBondContact O-N 3.27Å
91A68.1Low68.9Low27 Ų2776.7 Ų76.722%0.22347%0.472CS..Hα-helixtrans-62.8-44176.100000112.1M87 A88 V94 V95 Y103M87-A91 VanDerWaalsContact O-CB 3.32Å; M87-A91 WeakPolarHBondContact O-CB 3.49Å; M87-A91 PolarHBondContact O-N 3.2Å; A88-A91 PolarHBondContact O-N 2.85Å; A91-V94 PolarHBondContact O-N 3.39Å; A91-V95 WeakPolarHBondContact O-CB 3.09Å; A91-V95 VanDerWaalsContact O-CG2 3.24Å; A91-V95 WeakPolarHBondContact O-CG2 3.01Å; A91-V95 PolarHBondContact O-N 3.3Å; A91-Y103 HydrophobicContact CB-CD2 4.48Å; A91-Y103 HydrophobicContact CB-CE2 4.12Å
92A70.7Confident67.1Low44 Ų4477.3 Ų77.336%0.36448%0.476SS..Hα-helixtrans-64.9-39.8177.200000112.2F76 A88 H89 V95 A96F76-A92 HydrophobicContact CE1-CB 3.93Å; F76-A92 HydrophobicContact CZ-CB 4.16Å; F76-A92 WeakPolarHBondContact CZ-O 3.35Å; A88-A92 VanDerWaalsContact O-CB 3.25Å; A88-A92 WeakPolarHBondContact O-CB 3.43Å; A88-A92 PolarHBondContact O-N 2.73Å; H89-A92 PolarHBondContact O-N 2.84Å; A92-V95 PolarHBondContact O-N 2.75Å; A92-A96 VanDerWaalsContact O-CB 3.32Å; A92-A96 WeakPolarHBondContact O-CB 3.15Å; A92-A96 PolarHBondContact O-N 2.77Å
93L76.1Confident65.2Low49 Ų4981 Ų8126%0.25748%0.479SS..Hα-helixtrans-65.2-45.4176.5-171.271.7000110.5F76 H89 A90 V95 A96 E97F76-L93 HydrophobicContact CB-CD1 4.43Å; F76-L93 HydrophobicContact CD1-CB 4.38Å; F76-L93 HydrophobicContact CD1-CD1 3.75Å; F76-L93 HydrophobicContact CD2-CD1 4.42Å; F76-L93 HydrophobicContact CE1-CB 4.04Å; F76-L93 HydrophobicContact CE1-CD1 4.07Å; F76-L93 HydrophobicContact CG-CD1 3.96Å; H89-L93 VanDerWaalsContact O-CB 3.25Å; H89-L93 WeakPolarHBondContact O-CB 3.34Å; H89-L93 PolarHBondContact O-N 2.81Å; A90-L93 PolarHBondContact O-N 2.74Å; L93-V95 VanDerWaalsContact C-N 3.33Å; L93-V95 PolarHBondContact O-N 2.83Å; L93-A96 PolarHBondContact O-N 3.32Å; L93-E97 HydrophobicContact CD1-CG 4.25Å; L93-E97 HydrophobicContact CG-CG 4.18Å; L93-E97 WeakPolarHBondContact O-CB 3.43Å; L93-E97 WeakPolarHBondContact O-CG 3.22Å; L93-E97 PolarHBondContact O-N 3.24Å
94V68Low63.8Low40 Ų4076.7 Ų76.724%0.24247%0.466CS..Hα-helixtrans-60.2-42.5174.8169.40000111.3A90 A91 A96 E98 I102 Y103A90-V94 WeakPolarHBondContact O-CB 3.36Å; A90-V94 WeakPolarHBondContact O-CG2 3.49Å; A90-V94 PolarHBondContact O-N 3.27Å; A91-V94 PolarHBondContact O-N 3.39Å; V94-A96 VanDerWaalsContact C-N 3.29Å; V94-A96 PolarHBondContact O-N 2.72Å; V94-E98 CarbonylContact O-C 3.55Å; V94-E98 WeakPolarHBondContact O-CA 3.35Å; V94-E98 PolarHBondContact O-N 2.67Å; V94-I102 HydrophobicContact CG1-CB 3.87Å; V94-I102 HydrophobicContact CG1-CD1 3.83Å; V94-I102 HydrophobicContact CG1-CG1 4.28Å; V94-I102 HydrophobicContact CG1-CG2 4.41Å; V94-Y103 HydrophobicContact CB-CE2 4.43Å; V94-Y103 HydrophobicContact CG1-CD2 4.05Å; V94-Y103 HydrophobicContact CG1-CE2 4.12Å
95V61.8Low62.6Low42 Ų4276.9 Ų76.926%0.25545%0.451SS..Hα-helixtrans-65-31.6174.71700000112.3A91 A92 L93 P99 Y103 P105A91-V95 WeakPolarHBondContact O-CB 3.09Å; A91-V95 VanDerWaalsContact O-CG2 3.24Å; A91-V95 WeakPolarHBondContact O-CG2 3.01Å; A91-V95 PolarHBondContact O-N 3.3Å; A92-V95 PolarHBondContact O-N 2.75Å; L93-V95 VanDerWaalsContact C-N 3.33Å; L93-V95 PolarHBondContact O-N 2.83Å; V95-P99 WeakPolarHBondContact O-CA 3.22Å; V95-P99 WeakPolarHBondContact O-CB 3.13Å; V95-Y103 HydrophobicContact CG2-CD2 4.14Å; V95-Y103 HydrophobicContact CG2-CG 4.32Å; V95-P105 HydrophobicContact CG1-CG 3.99Å
96A66.6Low60.7Low55 Ų5579.3 Ų79.346%0.45546%0.464SS..Hα-helixtrans-84.9-36.1-178.800000113.4F76 A92 L93 V94F76-A96 HydrophobicContact CD2-CB 4.43Å; F76-A96 HydrophobicContact CE2-CB 3.34Å; F76-A96 HydrophobicContact CZ-CB 3.52Å; A92-A96 VanDerWaalsContact O-CB 3.32Å; A92-A96 WeakPolarHBondContact O-CB 3.15Å; A92-A96 PolarHBondContact O-N 2.77Å; L93-A96 PolarHBondContact O-N 3.32Å; V94-A96 VanDerWaalsContact C-N 3.29Å; V94-A96 PolarHBondContact O-N 2.72Å
97E68.7Low59Low135 Ų13582.2 Ų82.263%0.63148%0.475SS*.Hα-helixtrans-77.3-36.5177.2-71.2179.7165.100111.3L93L93-E97 HydrophobicContact CD1-CG 4.25Å; L93-E97 HydrophobicContact CG-CG 4.18Å; L93-E97 WeakPolarHBondContact O-CB 3.43Å; L93-E97 WeakPolarHBondContact O-CG 3.22Å; L93-E97 PolarHBondContact O-N 3.24Å
98E63.8Low57.3Low104 Ų10481.1 Ų81.149%0.48647%0.466SS..SBendtrans-134.267.8-179-57.5-176.217900110.6V94 G100 S101V94-E98 CarbonylContact O-C 3.55Å; V94-E98 WeakPolarHBondContact O-CA 3.35Å; V94-E98 PolarHBondContact O-N 2.67Å; E98-G100 PolarHBondContact O-N 2.89Å; E98-S101 WeakPolarHBondContact CB-OG 3.02Å; E98-S101 PolarHBondContact O-N 3.14Å; E98-S101 PolarHBondContact O-OG 3.36Å; E98-S101 VanDerWaalsContact OE2-CB 3.25Å; E98-S101 WeakPolarHBondContact OE2-CB 3.33Å; E98-S101 PolarHBondContact OE2-OG 2.92Å
99P52.5Low55.7Low105 Ų10588.3 Ų88.368%0.68248%0.48SS*.THydrogen-bonded Turntrans-55.6115.9179.421.8-31.7000110.4V95V95-P99 WeakPolarHBondContact O-CA 3.22Å; V95-P99 WeakPolarHBondContact O-CB 3.13Å
100G48.6Very low53.7Low55 Ų5589.9 Ų89.957%0.56750%0.503SS*.THydrogen-bonded Turntrans89.12.6179.800000116.4E98E98-G100 PolarHBondContact O-N 2.89Å
101S51.5Low51.6Low61 Ų6190.4 Ų90.443%0.42751%0.513SS..THydrogen-bonded Turntrans-83.2-37.3-178.273.60000115.1E98E98-S101 WeakPolarHBondContact CB-OG 3.02Å; E98-S101 PolarHBondContact O-N 3.14Å; E98-S101 PolarHBondContact O-OG 3.36Å; E98-S101 VanDerWaalsContact OE2-CB 3.25Å; E98-S101 WeakPolarHBondContact OE2-CB 3.33Å; E98-S101 PolarHBondContact OE2-OG 2.92Å
102I43.4Very low50.2Low107 Ų10792.4 Ų92.455%0.54952%0.522SS..SBendtrans-130.5-24.9-172.2-63.4171.1000113.1V94V94-I102 HydrophobicContact CG1-CB 3.87Å; V94-I102 HydrophobicContact CG1-CD1 3.83Å; V94-I102 HydrophobicContact CG1-CG1 4.28Å; V94-I102 HydrophobicContact CG1-CG2 4.41Å
103Y42.9Very low48.8Very low114 Ų11491.2 Ų91.245%0.44751%0.514SS..  trans-135125.9179.7-61.3-75.5000110.3A91 V94 V95 P105A91-Y103 HydrophobicContact CB-CD2 4.48Å; A91-Y103 HydrophobicContact CB-CE2 4.12Å; V94-Y103 HydrophobicContact CB-CE2 4.43Å; V94-Y103 HydrophobicContact CG1-CD2 4.05Å; V94-Y103 HydrophobicContact CG1-CE2 4.12Å; V95-Y103 HydrophobicContact CG2-CD2 4.14Å; V95-Y103 HydrophobicContact CG2-CG 4.32Å; Y103-P105 VanDerWaalsContact O-CD 3.3Å; Y103-P105 WeakPolarHBondContact O-CD 3.42Å
104N43.2Very low47.4Very low119 Ų11993.9 Ų93.964%0.63653%0.526SS*.  trans-84.7117.3171.3-179.8-2.4000109.7L106N104-L106 PolarHBondContact OD1-N 3.1Å
105P41.6Very low46.5Very low92 Ų9293.8 Ų93.860%0.59752%0.523SS*.  trans-118.276.3171.632.3-11.5000109.7V95 Y103V95-P105 HydrophobicContact CG1-CG 3.99Å; Y103-P105 VanDerWaalsContact O-CD 3.3Å; Y103-P105 WeakPolarHBondContact O-CD 3.42Å
106L37.6Very low46Very low94 Ų9495.5 Ų95.549%0.49253%0.53SS..  trans-113.8112165.5-165.872.4000110.3N104 F108 L148N104-L106 PolarHBondContact OD1-N 3.1Å; L106-F108 HydrophobicContact CD2-CE2 3.65Å; L106-F108 HydrophobicContact CD2-CZ 3.75Å; L106-F108 HydrophobicContact CG-CE2 4.09Å; L106-F108 HydrophobicContact CG-CZ 4.28Å; L106-L148 HydrophobicContact CD1-CD1 4.14Å; L106-L148 HydrophobicContact CD2-CD1 4.31Å
107F38.6Very low45.3Very low180 Ų180103.2 Ų103.279%0.78955%0.547SS*.  trans-128.5117.7175.2-171.2-94.5000108.3
108F35.7Very low44.6Very low139 Ų139103.6 Ų103.661%0.6154%0.543SS*.  trans-83.2115.4176.8-69.9-80.2000110.4L106L106-F108 HydrophobicContact CD2-CE2 3.65Å; L106-F108 HydrophobicContact CD2-CZ 3.75Å; L106-F108 HydrophobicContact CG-CE2 4.09Å; L106-F108 HydrophobicContact CG-CZ 4.28Å
109Y35.5Very low44.5Very low220 Ų220100.1 Ų100.186%0.86353%0.528SS*.  trans-117.697.1171.3-176.2-99.6000109.3
110G35.1Very low44.6Very low58 Ų5899 Ų9960%0.59852%0.52SS*.SBendtrans160141.2178.200000112.6V112G110-V112 PolarHBondContact O-N 3.43Å
111G33.3Very low45.7Very low58 Ų58101.6 Ų101.660%0.59852%0.518SS*.  trans-66.984.9-167.400000115.6G113 E114G111-G113 PolarHBondContact O-N 3.32Å; G111-E114 WeakPolarHBondContact O-CB 3.28Å; G111-E114 PolarHBondContact O-N 2.92Å
112V39.2Very low46.3Very low69 Ų69102.2 Ų102.242%0.41853%0.527SS..Hα-helixtrans-58.9-30171.3-169.50000111.4G110 E114 I115G110-V112 PolarHBondContact O-N 3.43Å; V112-E114 PolarHBondContact O-N 2.96Å; V112-I115 PolarHBondContact O-N 2.95Å
113G41.5Very low47Very low20 Ų20101.9 Ų101.921%0.20653%0.53CS..Hα-helixtrans-61.9-19.7172.500000114.8G111 R117G111-G113 PolarHBondContact O-N 3.32Å; G113-R117 VanDerWaalsContact O-CB 3.31Å; G113-R117 WeakPolarHBondContact O-CB 3.48Å; G113-R117 WeakPolarHBondContact O-CG 3.27Å; G113-R117 PolarHBondContact O-N 3.22Å
114E46.7Very low48.3Very low105 Ų105102 Ų10249%0.49153%0.533SS..Hα-helixtrans-77-29172-82.8-134.9116.100112.9G111 V112 R118G111-E114 WeakPolarHBondContact O-CB 3.28Å; G111-E114 PolarHBondContact O-N 2.92Å; V112-E114 PolarHBondContact O-N 2.96Å; E114-R118 VanDerWaalsContact O-CB 3.22Å; E114-R118 WeakPolarHBondContact O-CB 3.05Å; E114-R118 WeakPolarHBondContact O-CD 3.41Å; E114-R118 WeakPolarHBondContact O-CG 3.34Å; E114-R118 PolarHBondContact O-N 3.2Å; E114-R118 VanDerWaalsContact O-N 3.11Å; E114-R118 IonicContact OE1-CZ 3.63Å; E114-R118 IonicContact OE1-NE 4Å; E114-R118 PolarHBondContact OE1-NE 3.47Å; E114-R118 IonicContact OE1-NH2 3.26Å; E114-R118 PolarHBondContact OE1-NH2 2.82Å; E114-R118 IonicContact OE2-CZ 3.48Å; E114-R118 VanDerWaalsContact OE2-CZ 3.26Å; E114-R118 IonicContact OE2-NE 3.39Å; E114-R118 IonicContact OE2-NH1 2.75Å; E114-R118 IonicContact OE2-NH2 2.83Å; E114-R118 PolarHBondContact OE2-NH2 3.49Å
115I49.2Very low49.4Very low37 Ų37100.4 Ų100.419%0.1953%0.527CS..Hα-helixtrans-66.3-52180-65.9174.7000109V112 R117 R118 L119 I136 F143V112-I115 PolarHBondContact O-N 2.95Å; I115-R117 PolarHBondContact O-N 3.38Å; I115-R118 PolarHBondContact O-N 3.49Å; I115-R118 VanDerWaalsContact O-N 3.11Å; I115-L119 WeakPolarHBondContact O-CG 3.26Å; I115-L119 PolarHBondContact O-N 2.96Å; I115-I136 HydrophobicContact CG2-CD1 4.16Å; I115-F143 HydrophobicContact CB-CD1 4.34Å; I115-F143 HydrophobicContact CB-CE1 4.47Å; I115-F143 HydrophobicContact CB-CG 4.47Å; I115-F143 HydrophobicContact CD1-CD1 4.47Å; I115-F143 HydrophobicContact CG1-CD1 3.89Å; I115-F143 HydrophobicContact CG1-CE1 4.21Å; I115-F143 HydrophobicContact CG1-CG 4.34Å; I115-F143 HydrophobicContact CG2-CB 4.02Å; I115-F143 HydrophobicContact CG2-CD1 3.93Å; I115-F143 HydrophobicContact CG2-CD2 3.61Å; I115-F143 HydrophobicContact CG2-CE1 4.27Å; I115-F143 HydrophobicContact CG2-CE2 3.98Å; I115-F143 HydrophobicContact CG2-CG 3.58Å; I115-F143 HydrophobicContact CG2-CZ 4.29Å
116I50.2Low50.6Low78 Ų7899.1 Ų99.140%0.452%0.515SS..Hα-helixtrans-65.1-41.5-179.8-59178.9000111.1R118 L119I116-R118 PolarHBondContact O-N 3.03Å; I116-L119 HydrophobicContact CG2-CD1 4.46Å; I116-L119 PolarHBondContact O-N 3.41Å
117R53.4Low52Low217 Ų21799.9 Ų99.982%0.81952%0.517SS*.Hα-helixtrans-63.9-19174.8-89.1-174.4163.41282.2114.4G113 I115G113-R117 VanDerWaalsContact O-CB 3.31Å; G113-R117 WeakPolarHBondContact O-CB 3.48Å; G113-R117 WeakPolarHBondContact O-CG 3.27Å; G113-R117 PolarHBondContact O-N 3.22Å; I115-R117 PolarHBondContact O-N 3.38Å
118R54.3Low53.4Low144 Ų14495.6 Ų95.654%0.54351%0.505SS..THydrogen-bonded Turntrans-101.93-179.9-70.5175-176.8-1613.5113.1E114 I115 I116 P120 F143E114-R118 VanDerWaalsContact O-CB 3.22Å; E114-R118 WeakPolarHBondContact O-CB 3.05Å; E114-R118 WeakPolarHBondContact O-CD 3.41Å; E114-R118 WeakPolarHBondContact O-CG 3.34Å; E114-R118 PolarHBondContact O-N 3.2Å; E114-R118 VanDerWaalsContact O-N 3.11Å; E114-R118 IonicContact OE1-CZ 3.63Å; E114-R118 IonicContact OE1-NE 4Å; E114-R118 PolarHBondContact OE1-NE 3.47Å; E114-R118 IonicContact OE1-NH2 3.26Å; E114-R118 PolarHBondContact OE1-NH2 2.82Å; E114-R118 IonicContact OE2-CZ 3.48Å; E114-R118 VanDerWaalsContact OE2-CZ 3.26Å; E114-R118 IonicContact OE2-NE 3.39Å; E114-R118 IonicContact OE2-NH1 2.75Å; E114-R118 IonicContact OE2-NH2 2.83Å; E114-R118 PolarHBondContact OE2-NH2 3.49Å; I115-R118 PolarHBondContact O-N 3.49Å; I115-R118 VanDerWaalsContact O-N 3.11Å; I116-R118 PolarHBondContact O-N 3.03Å; R118-P120 WeakPolarHBondContact O-CD 3.21Å; R118-F143 HydrophobicContact CB-CZ 3.85Å
119L60.3Low55Low30 Ų3092.2 Ų92.216%0.15749%0.491CS..  trans-71.6117.8171.7-62.3174.4000108.5I115 I116 E121 F124 I136 S138 F143I115-L119 WeakPolarHBondContact O-CG 3.26Å; I115-L119 PolarHBondContact O-N 2.96Å; I116-L119 HydrophobicContact CG2-CD1 4.46Å; I116-L119 PolarHBondContact O-N 3.41Å; L119-E121 VanDerWaalsContact C-N 3.33Å; L119-E121 PolarHBondContact O-N 3.05Å; L119-F124 HydrophobicContact CD1-CB 4.06Å; L119-F124 HydrophobicContact CD1-CD1 4.3Å; L119-F124 HydrophobicContact CD1-CG 4.16Å; L119-I136 HydrophobicContact CD2-CG2 4.05Å; L119-S138 VanDerWaalsContact CD2-CB 3.47Å; L119-F143 HydrophobicContact CD2-CD2 4.03Å; L119-F143 HydrophobicContact CD2-CE2 3.73Å
120P55.4Low56.8Low81 Ų8189.7 Ų89.753%0.52649%0.487SS..  trans-77.7-14.8-171.430.6-36.6000114R118 S138 A141R118-P120 WeakPolarHBondContact O-CD 3.21Å; P120-S138 WeakPolarHBondContact CD-O 3.21Å; P120-S138 WeakPolarHBondContact CG-O 3.21Å; P120-A141 VanDerWaalsContact CD-CB 3.47Å; P120-A141 HydrophobicContact CG-CB 4.03Å
121E71.5Confident58.1Low110 Ų11093.2 Ų93.251%0.51449%0.492SS..SBendtrans-123.4161.2-173.8-65.8-179.2-18000112.2L119 T123 S138 G139L119-E121 VanDerWaalsContact C-N 3.33Å; L119-E121 PolarHBondContact O-N 3.05Å; E121-T123 PolarHBondContact O-N 3.4Å; E121-S138 PolarHBondContact N-OG 3.5Å; E121-S138 PolarHBondContact O-OG 3.02Å; E121-G139 WeakPolarHBondContact OE1-CA 3.36Å; E121-G139 VanDerWaalsContact OE2-CA 3.32Å; E121-G139 WeakPolarHBondContact OE2-CA 3.37Å; E121-G139 PolarHBondContact OE2-N 2.64Å
122A64.2Low59.6Low75 Ų7594 Ų9462%0.6248%0.48SS*.SBendtrans-65.9-19.6176.600000113.2F265A122-F265 HydrophobicContact CB-CE1 4.06Å; A122-F265 HydrophobicContact CB-CZ 4.45Å
123T58.7Low60.7Low100 Ų10093.5 Ų93.561%0.61347%0.473SS*.  trans-114.4145179.249.70000110.5E121 S138E121-T123 PolarHBondContact O-N 3.4Å; T123-S138 WeakPolarHBondContact O-CB 3.2Å; T123-S138 PolarHBondContact O-OG 3.21Å
124F69.2Low61.9Low115 Ų11594.4 Ų94.450%0.50448%0.475SS..  trans-135.3156.2169.368.3-83.4000109.9L119 L126 I136 T137L119-F124 HydrophobicContact CD1-CB 4.06Å; L119-F124 HydrophobicContact CD1-CD1 4.3Å; L119-F124 HydrophobicContact CD1-CG 4.16Å; F124-L126 HydrophobicContact CD2-CD2 4.03Å; F124-L126 HydrophobicContact CD2-CG 3.95Å; F124-L126 HydrophobicContact CE2-CD1 3.85Å; F124-L126 HydrophobicContact CE2-CD2 3.91Å; F124-L126 HydrophobicContact CE2-CG 3.62Å; F124-I136 HydrophobicContact CD2-CG2 4.09Å; F124-T137 CarbonylContact C-O 3.56Å; F124-T137 WeakPolarHBondContact CA-O 3.24Å; F124-T137 WeakPolarHBondContact CB-O 3.43Å
125T66.9Low63.1Low86 Ų8690.5 Ų90.553%0.52846%0.457SS..EExtended strand (participates in β ladder)trans-111.8136.1174.2-39.70000108.4I136 T137T125-I136 CarbonylContact O-C 3.6Å; T125-I136 WeakPolarHBondContact O-CA 3.31Å; T125-T137 WeakPolarHBondContact CB-OG1 3.45Å; T125-T137 PolarHBondContact N-O 3.05Å; T125-T137 PolarHBondContact O-N 3.38Å; T125-T137 PolarHBondContact OG1-OG1 2.76Å
126L66.4Low64.2Low66 Ų6690 Ų9035%0.34645%0.454SS..EExtended strand (participates in β ladder)trans-107.2123.2166.7-62.9175.1000108F124 V134 L135 I136 I251F124-L126 HydrophobicContact CD2-CD2 4.03Å; F124-L126 HydrophobicContact CD2-CG 3.95Å; F124-L126 HydrophobicContact CE2-CD1 3.85Å; F124-L126 HydrophobicContact CE2-CD2 3.91Å; F124-L126 HydrophobicContact CE2-CG 3.62Å; L126-V134 HydrophobicContact CB-CG1 4.38Å; L126-V134 HydrophobicContact CD2-CG1 4.06Å; L126-L135 CarbonylContact C-O 3.33Å; L126-L135 WeakPolarHBondContact CA-O 3.35Å; L126-I136 HydrophobicContact CD2-CB 3.98Å; L126-I136 HydrophobicContact CD2-CD1 3.96Å; L126-I136 HydrophobicContact CD2-CG1 3.51Å; L126-I136 HydrophobicContact CD2-CG2 3.85Å; L126-I251 HydrophobicContact CD1-CD1 3.69Å
127E66.3Low65.3Low110 Ų11087.5 Ų87.551%0.51444%0.443SS..EExtended strand (participates in β ladder)trans-122.8119.3176.1-177.5-179.7-171.900108.9Q129 V134 L135E127-Q129 PolarHBondContact O-N 2.93Å; E127-V134 CarbonylContact O-C 3.52Å; E127-V134 WeakPolarHBondContact O-CA 3.49Å; E127-L135 HydrophobicContact CB-CB 4.29Å; E127-L135 PolarHBondContact N-O 2.88Å; E127-L135 PolarHBondContact O-N 3.41Å
128V67.7Low66.2Low89 Ų8977.3 Ų77.354%0.53941%0.405SS..EExtended strand (participates in β ladder)trans-76.9112.4171.3-176.10000107.7Q133 V134 L249V128-Q133 CarbonylContact C-O 3.53Å; V128-Q133 WeakPolarHBondContact CA-O 3.37Å; V128-V134 HydrophobicContact CG2-CG2 4.46Å; V128-L249 HydrophobicContact CG2-CD1 3.98Å
129Q70.6Confident67.1Low68 Ų6872 Ų7232%0.31840%0.395SS..EExtended strand (participates in β ladder)trans-90171.2175.3-60.1-171-39.800110.8E127 Q133 L135E127-Q129 PolarHBondContact O-N 2.93Å; Q129-Q133 HydrophobicContact CB-CB 4.05Å; Q129-Q133 PolarHBondContact N-O 2.97Å; Q129-L135 HydrophobicContact CG-CB 4.03Å
130E72Confident67.7Low168 Ų16875 Ų7579%0.78542%0.424SS*.G310 helixtrans-55.4158.8170.3-62.8-177.917500111.5H132 Q133E130-H132 VanDerWaalsContact C-N 3.3Å; E130-H132 PolarHBondContact O-N 3.35Å; E130-Q133 PolarHBondContact O-N 2.98Å
131N63.9Low68.1Low132 Ų13272.1 Ų72.171%0.70641%0.407SS*.G310 helixtrans60.433.1-178.5-52.4-45.8000114.8Q133N131-Q133 PolarHBondContact O-N 3.41Å
132H64.7Low68Low75 Ų7572.5 Ų72.535%0.34741%0.408SS..G310 helixtrans62.323.1177.2-47.296.8000113.9E130 G147 D149E130-H132 VanDerWaalsContact C-N 3.3Å; E130-H132 PolarHBondContact O-N 3.35Å; H132-G147 VanDerWaalsContact CB-O 3.27Å; H132-G147 WeakPolarHBondContact CB-O 3.12Å; H132-G147 CarbonylContact O-C 3.57Å; H132-G147 WeakPolarHBondContact O-CA 3.47Å; H132-G147 PolarHBondContact O-N 3.41Å; H132-D149 WeakPolarHBondContact CD2-CA 3.45Å; H132-D149 PolarHBondContact CD2-N 3.45Å; H132-D149 WeakPolarHBondContact NE2-CA 3.29Å; H132-D149 WeakPolarHBondContact NE2-CB 3.47Å; H132-D149 PolarHBondContact NE2-N 3.35Å; H132-D149 IonicContact NE2-OD2 3.64Å
133Q62.3Low68.2Low58 Ų5871.1 Ų71.127%0.27139%0.388SS..EExtended strand (participates in β ladder)trans-83.7139.9178.7-69-175.2-26.600110.5V128 Q129 E130 N131 T144 V145 N146V128-Q133 CarbonylContact C-O 3.53Å; V128-Q133 WeakPolarHBondContact CA-O 3.37Å; Q129-Q133 HydrophobicContact CB-CB 4.05Å; Q129-Q133 PolarHBondContact N-O 2.97Å; E130-Q133 PolarHBondContact O-N 2.98Å; N131-Q133 PolarHBondContact O-N 3.41Å; Q133-T144 HydrophobicContact CB-CG2 3.89Å; Q133-T144 HydrophobicContact CG-CG2 4.09Å; Q133-V145 CarbonylContact C-O 3.53Å; Q133-V145 VanDerWaalsContact CA-O 3.28Å; Q133-V145 WeakPolarHBondContact CA-O 3.3Å; Q133-N146 WeakPolarHBondContact CG-OD1 3.41Å; Q133-N146 PolarHBondContact NE2-OD1 2.95Å
134V66.7Low68.5Low39 Ų3970.1 Ų70.124%0.23638%0.382CS..EExtended strand (participates in β ladder)trans-109.9112.8169.7-1780000107.7L126 E127 V128 I136 V145L126-V134 HydrophobicContact CB-CG1 4.38Å; L126-V134 HydrophobicContact CD2-CG1 4.06Å; E127-V134 CarbonylContact O-C 3.52Å; E127-V134 WeakPolarHBondContact O-CA 3.49Å; V128-V134 HydrophobicContact CG2-CG2 4.46Å; V134-I136 HydrophobicContact CG1-CG1 4.47Å; V134-V145 HydrophobicContact CB-CB 4.39Å; V134-V145 PolarHBondContact N-O 3.39Å; V134-V145 PolarHBondContact O-N 3.01Å
135L71.5Confident68Low23 Ų2367 Ų6712%0.1237%0.373CS..EExtended strand (participates in β ladder)trans-83.9122.5170.8-179.871.9000109.1L126 E127 Q129 T137 H142 F143L126-L135 CarbonylContact C-O 3.33Å; L126-L135 WeakPolarHBondContact CA-O 3.35Å; E127-L135 HydrophobicContact CB-CB 4.29Å; E127-L135 PolarHBondContact N-O 2.88Å; E127-L135 PolarHBondContact O-N 3.41Å; Q129-L135 HydrophobicContact CG-CB 4.03Å; L135-T137 HydrophobicContact CD1-CG2 4.32Å; L135-T137 HydrophobicContact CD2-CG2 3.68Å; L135-T137 HydrophobicContact CG-CG2 3.72Å; L135-H142 HydrophobicContact CD1-CB 4.38Å; L135-F143 CarbonylContact C-O 3.48Å; L135-F143 WeakPolarHBondContact CA-O 3.44Å
136I72.6Confident67.3Low25 Ų2568.2 Ų68.213%0.12838%0.376CS..EExtended strand (participates in β ladder)trans-104.9115.1173.3-43.9-170.4000107.5I115 L119 F124 T125 L126 V134 H142 F143 V145I115-I136 HydrophobicContact CG2-CD1 4.16Å; L119-I136 HydrophobicContact CD2-CG2 4.05Å; F124-I136 HydrophobicContact CD2-CG2 4.09Å; T125-I136 CarbonylContact O-C 3.6Å; T125-I136 WeakPolarHBondContact O-CA 3.31Å; L126-I136 HydrophobicContact CD2-CB 3.98Å; L126-I136 HydrophobicContact CD2-CD1 3.96Å; L126-I136 HydrophobicContact CD2-CG1 3.51Å; L126-I136 HydrophobicContact CD2-CG2 3.85Å; V134-I136 HydrophobicContact CG1-CG1 4.47Å; I136-H142 CarbonylContact O-C 3.6Å; I136-H142 VanDerWaalsContact O-CA 3.3Å; I136-H142 WeakPolarHBondContact O-CA 3.36Å; I136-F143 HydrophobicContact CB-CB 4.23Å; I136-F143 PolarHBondContact N-O 2.87Å; I136-F143 PolarHBondContact O-N 3.31Å; I136-V145 HydrophobicContact CD1-CG2 3.94Å; I136-V145 HydrophobicContact CG1-CG2 4.33Å
137T71.8Confident66.6Low27 Ų2766.5 Ų66.517%0.16638%0.375CS..EExtended strand (participates in β ladder)trans-114.7139.817667.20000111F124 T125 L135 A141 H142F124-T137 CarbonylContact C-O 3.56Å; F124-T137 WeakPolarHBondContact CA-O 3.24Å; F124-T137 WeakPolarHBondContact CB-O 3.43Å; T125-T137 WeakPolarHBondContact CB-OG1 3.45Å; T125-T137 PolarHBondContact N-O 3.05Å; T125-T137 PolarHBondContact O-N 3.38Å; T125-T137 PolarHBondContact OG1-OG1 2.76Å; L135-T137 HydrophobicContact CD1-CG2 4.32Å; L135-T137 HydrophobicContact CD2-CG2 3.68Å; L135-T137 HydrophobicContact CG-CG2 3.72Å; T137-A141 CarbonylContact C-O 3.54Å; T137-A141 VanDerWaalsContact CA-O 3.29Å; T137-A141 WeakPolarHBondContact CA-O 3.27Å; T137-H142 WeakPolarHBondContact CG2-CD2 3.49Å
138S73.1Confident65.8Low3 Ų366.7 Ų66.72%0.02138%0.379CS..EExtended strand (participates in β ladder)trans-150.4116.1170.5176.50000107.6L119 P120 E121 T123 A140 A141L119-S138 VanDerWaalsContact CD2-CB 3.47Å; P120-S138 WeakPolarHBondContact CD-O 3.21Å; P120-S138 WeakPolarHBondContact CG-O 3.21Å; E121-S138 PolarHBondContact N-OG 3.5Å; E121-S138 PolarHBondContact O-OG 3.02Å; T123-S138 WeakPolarHBondContact O-CB 3.2Å; T123-S138 PolarHBondContact O-OG 3.21Å; S138-A140 PolarHBondContact O-N 3.11Å; S138-A140 VanDerWaalsContact O-N 3.16Å; S138-A141 PolarHBondContact N-O 2.73Å; S138-A141 WeakPolarHBondContact O-CB 3.2Å; S138-A141 PolarHBondContact O-N 3.4Å
139G73.7Confident65Low33 Ų3365.2 Ų65.234%0.3437%0.368SS..THydrogen-bonded Turntrans48.4-119.8-168.100000113E121E121-G139 WeakPolarHBondContact OE1-CA 3.36Å; E121-G139 VanDerWaalsContact OE2-CA 3.32Å; E121-G139 WeakPolarHBondContact OE2-CA 3.37Å; E121-G139 PolarHBondContact OE2-N 2.64Å
140A72.9Confident63.6Low93 Ų9365.6 Ų65.677%0.76938%0.382SS*.THydrogen-bonded Turntrans-84.6-7.4177.100000114.5S138 H142S138-A140 PolarHBondContact O-N 3.11Å; S138-A140 VanDerWaalsContact O-N 3.16Å; A140-H142 PolarHBondContact O-CE1 2.86Å; A140-H142 PolarHBondContact O-ND1 3.22Å
141A62.5Low62.3Low19 Ų1963.1 Ų63.116%0.15737%0.374CS..EExtended strand (participates in β ladder)trans-88.4137.1-179.100000111.5P120 T137 S138 F143P120-A141 VanDerWaalsContact CD-CB 3.47Å; P120-A141 HydrophobicContact CG-CB 4.03Å; T137-A141 CarbonylContact C-O 3.54Å; T137-A141 VanDerWaalsContact CA-O 3.29Å; T137-A141 WeakPolarHBondContact CA-O 3.27Å; S138-A141 PolarHBondContact N-O 2.73Å; S138-A141 WeakPolarHBondContact O-CB 3.2Å; S138-A141 PolarHBondContact O-N 3.4Å; A141-F143 HydrophobicContact CB-CE2 3.87Å; A141-F143 HydrophobicContact CB-CZ 4.44Å
142H70.6Confident61.4Low118 Ų11862.2 Ų62.255%0.54637%0.37SS..EExtended strand (participates in β ladder)trans-138.7129.5-179.3-53.672.4000108.4L135 I136 T137 A140L135-H142 HydrophobicContact CD1-CB 4.38Å; I136-H142 CarbonylContact O-C 3.6Å; I136-H142 VanDerWaalsContact O-CA 3.3Å; I136-H142 WeakPolarHBondContact O-CA 3.36Å; T137-H142 WeakPolarHBondContact CG2-CD2 3.49Å; A140-H142 PolarHBondContact O-CE1 2.86Å; A140-H142 PolarHBondContact O-ND1 3.22Å
143F67.7Low60.1Low46 Ų4665.2 Ų65.220%0.20238%0.379CS..EExtended strand (participates in β ladder)trans-130.8129.8178.8-56.1-93.2000109.7I115 R118 L119 L135 I136 A141I115-F143 HydrophobicContact CB-CD1 4.34Å; I115-F143 HydrophobicContact CB-CE1 4.47Å; I115-F143 HydrophobicContact CB-CG 4.47Å; I115-F143 HydrophobicContact CD1-CD1 4.47Å; I115-F143 HydrophobicContact CG1-CD1 3.89Å; I115-F143 HydrophobicContact CG1-CE1 4.21Å; I115-F143 HydrophobicContact CG1-CG 4.34Å; I115-F143 HydrophobicContact CG2-CB 4.02Å; I115-F143 HydrophobicContact CG2-CD1 3.93Å; I115-F143 HydrophobicContact CG2-CD2 3.61Å; I115-F143 HydrophobicContact CG2-CE1 4.27Å; I115-F143 HydrophobicContact CG2-CE2 3.98Å; I115-F143 HydrophobicContact CG2-CG 3.58Å; I115-F143 HydrophobicContact CG2-CZ 4.29Å; R118-F143 HydrophobicContact CB-CZ 3.85Å; L119-F143 HydrophobicContact CD2-CD2 4.03Å; L119-F143 HydrophobicContact CD2-CE2 3.73Å; L135-F143 CarbonylContact C-O 3.48Å; L135-F143 WeakPolarHBondContact CA-O 3.44Å; I136-F143 HydrophobicContact CB-CB 4.23Å; I136-F143 PolarHBondContact N-O 2.87Å; I136-F143 PolarHBondContact O-N 3.31Å; A141-F143 HydrophobicContact CB-CE2 3.87Å; A141-F143 HydrophobicContact CB-CZ 4.44Å
144T65.9Low58.6Low79 Ų7967.6 Ų67.649%0.48540%0.399SS..EExtended strand (participates in β ladder)trans-103.8123.4175.4-51.90000109.3Q133Q133-T144 HydrophobicContact CB-CG2 3.89Å; Q133-T144 HydrophobicContact CG-CG2 4.09Å
145V57.3Low57.2Low50 Ų5072.5 Ų72.530%0.30342%0.419SS..EExtended strand (participates in β ladder)trans-109.1124177.5-177.10000108.4Q133 V134 I136 G147Q133-V145 CarbonylContact C-O 3.53Å; Q133-V145 VanDerWaalsContact CA-O 3.28Å; Q133-V145 WeakPolarHBondContact CA-O 3.3Å; V134-V145 HydrophobicContact CB-CB 4.39Å; V134-V145 PolarHBondContact N-O 3.39Å; V134-V145 PolarHBondContact O-N 3.01Å; I136-V145 HydrophobicContact CD1-CG2 3.94Å; I136-V145 HydrophobicContact CG1-CG2 4.33Å; V145-G147 PolarHBondContact O-N 3.07Å
146N52.7Low55.2Low111 Ų11177.8 Ų77.859%0.59445%0.447SS*.EExtended strand (participates in β ladder)trans-78.9116173.6-61.9-36.1000109.4Q133Q133-N146 WeakPolarHBondContact CG-OD1 3.41Å; Q133-N146 PolarHBondContact NE2-OD1 2.95Å
147G52.9Low53.2Low31 Ų3182 Ų8232%0.3248%0.476SS..  trans-96.2-169.7168.500000112.4H132 V145H132-G147 VanDerWaalsContact CB-O 3.27Å; H132-G147 WeakPolarHBondContact CB-O 3.12Å; H132-G147 CarbonylContact O-C 3.57Å; H132-G147 WeakPolarHBondContact O-CA 3.47Å; H132-G147 PolarHBondContact O-N 3.41Å; V145-G147 PolarHBondContact O-N 3.07Å
148L49.1Very low51.2Low114 Ų11487.1 Ų87.160%0.59751%0.507SS*.  trans-134.4163.3176.5-72170.4000109.5L106L106-L148 HydrophobicContact CD1-CD1 4.14Å; L106-L148 HydrophobicContact CD2-CD1 4.31Å
149D49.8Very low49.3Very low58 Ų5893.1 Ų93.131%0.3154%0.543SS..  trans-59138.2179.7-154.4-31.2000112.2H132 D151 N152H132-D149 WeakPolarHBondContact CD2-CA 3.45Å; H132-D149 PolarHBondContact CD2-N 3.45Å; H132-D149 WeakPolarHBondContact NE2-CA 3.29Å; H132-D149 WeakPolarHBondContact NE2-CB 3.47Å; H132-D149 PolarHBondContact NE2-N 3.35Å; H132-D149 IonicContact NE2-OD2 3.64Å; D149-D151 PolarHBondContact O-N 2.85Å; D149-D151 PolarHBondContact OD1-N 3.14Å; D149-D151 VanDerWaalsContact OD1-N 3.13Å; D149-N152 HydrophobicContact CB-CB 4.5Å; D149-N152 VanDerWaalsContact CB-ND2 3.32Å; D149-N152 WeakPolarHBondContact CB-ND2 3.43Å; D149-N152 WeakPolarHBondContact O-CB 3.45Å; D149-N152 PolarHBondContact O-N 3.37Å; D149-N152 VanDerWaalsContact O-N 3.1Å
150A42.8Very low47.4Very low75 Ų7599.3 Ų99.362%0.6256%0.563SS**G310 helixtrans-64.1-28.4174.800000111.5N152 Y153A150-N152 PolarHBondContact O-N 2.97Å; A150-Y153 WeakPolarHBondContact O-CB 3.49Å; A150-Y153 PolarHBondContact O-N 3.28Å
151D44.9Very low45.5Very low117 Ų117104 Ų10463%0.62657%0.57SS**G310 helixtrans-70.1-10.4175.9-69.9-20.7000113.1D149D149-D151 PolarHBondContact O-N 2.85Å; D149-D151 PolarHBondContact OD1-N 3.14Å; D149-D151 VanDerWaalsContact OD1-N 3.13Å
152N45.2Very low44.4Very low113 Ų113111 Ų11160%0.60460%0.599SS**G310 helixtrans-94.66.8174.8-67.8-44.8000113.3D149 A150D149-N152 HydrophobicContact CB-CB 4.5Å; D149-N152 VanDerWaalsContact CB-ND2 3.32Å; D149-N152 WeakPolarHBondContact CB-ND2 3.43Å; D149-N152 WeakPolarHBondContact O-CB 3.45Å; D149-N152 PolarHBondContact O-N 3.37Å; D149-N152 VanDerWaalsContact O-N 3.1Å; A150-N152 PolarHBondContact O-N 2.97Å
153Y35.8Very low43.1Very low137 Ų137110.6 Ų110.654%0.53760%0.601SS.*SBendtrans-85.2141.9169.2-102.5-103.4000110.8A150 H155A150-Y153 WeakPolarHBondContact O-CB 3.49Å; A150-Y153 PolarHBondContact O-N 3.28Å; Y153-H155 PolarHBondContact O-N 3.18Å
154P30.7Very low41.8Very low109 Ų109116.8 Ų116.871%0.70863%0.63SS**  trans-59.6108.6174.622.6-30.3000109.9L156P154-L156 PolarHBondContact O-N 3.16Å
155H37.7Very low41Very low141 Ų141117.7 Ų117.765%0.65363%0.631SS**PPolyproline II helixtrans-58.1136.9172.7-62.5-65.5000109.8Y153Y153-H155 PolarHBondContact O-N 3.18Å
156L30.6Very low40.5Very low134 Ų134124.4 Ų124.470%0.70266%0.657SS**PPolyproline II helixtrans-53.6144.8166.1-71.7167.4000109.3P154 V158P154-L156 PolarHBondContact O-N 3.16Å; L156-V158 PolarHBondContact O-N 3.41Å; L156-V158 VanDerWaalsContact O-N 3.08Å
157P28.8Very low40.4Very low115 Ų115122.3 Ų122.375%0.74765%0.645SS**PPolyproline II helixtrans-55.9119.9-179.520.3-30.6000110.7V159P157-V159 PolarHBondContact O-N 3.34Å
158V31.3Very low40Very low133 Ų133124.1 Ų124.181%0.80665%0.651SS**  trans-69.9112.4170.9179.80000107.7L156 E160L156-V158 PolarHBondContact O-N 3.41Å; L156-V158 VanDerWaalsContact O-N 3.08Å; V158-E160 PolarHBondContact O-N 2.91Å
159V32.2Very low39.7Very low129 Ų129124.3 Ų124.378%0.78266%0.657SS**  trans-77.8115.4174.6-177.60000108.2P157 E161P157-V159 PolarHBondContact O-N 3.34Å; V159-E161 PolarHBondContact O-N 3.42Å
160E33.5Very low39.7Very low163 Ų163127.5 Ų127.576%0.76267%0.67SS**  trans-60.7130.7175.2-67.9-175.1163.900111V158 Q162V158-E160 PolarHBondContact O-N 2.91Å; E160-Q162 PolarHBondContact O-N 3Å
161E34.3Very low39.9Very low193 Ų193126.3 Ų126.390%0.90265%0.652SS**THydrogen-bonded Turntrans-66.353.9-173.1-67.4-172.5136.200115.4V159V159-E161 PolarHBondContact O-N 3.42Å
162Q39.3Very low39.8Very low165 Ų165125.1 Ų125.177%0.77165%0.645SS**THydrogen-bonded Turntrans-108-11.5179-65.4-153.7-3.600115.7E160E160-Q162 PolarHBondContact O-N 3Å
163N42.4Very low39.4Very low109 Ų109124.7 Ų124.758%0.58365%0.647SS**  trans-133.6106-179.7-74-40.9000112.2F211N163-F211 HydrophobicContact CB-CE1 3.85Å; N163-F211 HydrophobicContact CB-CZ 3.64Å
164Q40.3Very low39.5Very low177 Ų177125.6 Ų125.683%0.82765%0.653SS**  trans-95119.9173.8-66.7-176.21.600110.7
165L48.9Very low40Very low97 Ų97121.7 Ų121.751%0.50863%0.626SS.*  trans-101.9116.3168-173.573.2000109.4L167L165-L167 HydrophobicContact CD2-CD1 4.02Å; L165-L167 HydrophobicContact CD2-CD2 4.03Å; L165-L167 HydrophobicContact CD2-CG 3.97Å; L165-L167 HydrophobicContact CG-CD2 4.32Å; L165-L167 HydrophobicContact CG-CG 4.16Å; L165-L167 PolarHBondContact O-N 3.42Å
166K46.6Very low40.2Very low191 Ų191120.7 Ų120.783%0.8363%0.625SS**  trans-85.5110.8174.6-72-175.6-179.9178.80110.1
167L51.1Low40.7Very low68 Ų68115.6 Ų115.636%0.35660%0.604SS.*  trans-108.2139.4174-66.6171.6000111L165L165-L167 HydrophobicContact CD2-CD1 4.02Å; L165-L167 HydrophobicContact CD2-CD2 4.03Å; L165-L167 HydrophobicContact CD2-CG 3.97Å; L165-L167 HydrophobicContact CG-CD2 4.32Å; L165-L167 HydrophobicContact CG-CG 4.16Å; L165-L167 PolarHBondContact O-N 3.42Å
168P44.9Very low41.5Very low69 Ų69111 Ų11145%0.44857%0.574SS.*  trans-59.8137.5172.7-24.234.1000112.7H170 M171P168-H170 WeakPolarHBondContact CB-CE1 3.25Å; P168-H170 WeakPolarHBondContact CB-ND1 3.31Å; P168-H170 PolarHBondContact O-N 3.1Å; P168-H170 VanDerWaalsContact O-N 3.08Å; P168-M171 VanDerWaalsContact O-CB 3.26Å; P168-M171 WeakPolarHBondContact O-CB 3.36Å; P168-M171 PolarHBondContact O-N 3.2Å
169V41.9Very low42.4Very low117 Ų117107.8 Ų107.871%0.70955%0.55SS*.Hα-helixtrans-54-33.2-176.5173.70000113.9M171 L172V169-M171 PolarHBondContact O-N 3.02Å; V169-L172 WeakPolarHBondContact O-CB 3.25Å; V169-L172 PolarHBondContact O-N 3.19Å; V169-L172 VanDerWaalsContact O-N 3.15Å
170H50.8Low43.5Very low126 Ų126102.5 Ų102.558%0.58352%0.517SS*.Hα-helixtrans-68.7-16.8177.870.1-93.2000113.9P168 T173P168-H170 WeakPolarHBondContact CB-CE1 3.25Å; P168-H170 WeakPolarHBondContact CB-ND1 3.31Å; P168-H170 PolarHBondContact O-N 3.1Å; P168-H170 VanDerWaalsContact O-N 3.08Å; H170-T173 PolarHBondContact O-OG1 3.11Å
171M47.4Very low44.2Very low50 Ų5096.9 Ų96.925%0.24649%0.494CS..Hα-helixtrans-75.8-45.2170.1-70.4-89.9-80.400109.8P168 V169 T173 K174 L175 V202P168-M171 VanDerWaalsContact O-CB 3.26Å; P168-M171 WeakPolarHBondContact O-CB 3.36Å; P168-M171 PolarHBondContact O-N 3.2Å; V169-M171 PolarHBondContact O-N 3.02Å; M171-T173 VanDerWaalsContact C-N 3.33Å; M171-T173 PolarHBondContact O-N 3.11Å; M171-K174 PolarHBondContact O-N 3.27Å; M171-L175 HydrophobicContact CB-CD1 4.01Å; M171-L175 VanDerWaalsContact O-CD1 3.31Å; M171-L175 WeakPolarHBondContact O-CD1 3.32Å; M171-L175 WeakPolarHBondContact O-CG 3.44Å; M171-V202 HydrophobicContact CE-CG1 4.36Å
172L42.8Very low45.1Very low92 Ų9288.3 Ų88.348%0.48245%0.454SS..Hα-helixtrans-56-40.7-177.9-87.5152000113.8V169 K174 L175V169-L172 WeakPolarHBondContact O-CB 3.25Å; V169-L172 PolarHBondContact O-N 3.19Å; V169-L172 VanDerWaalsContact O-N 3.15Å; L172-K174 PolarHBondContact O-N 3.5Å; L172-L175 PolarHBondContact O-N 3.05Å; L172-L175 VanDerWaalsContact O-N 3.15Å
173T36.1Very low45.8Very low104 Ų10483.1 Ų83.164%0.63844%0.436SS*.THydrogen-bonded Turntrans-64.5-12.2177.745.40000114.5H170 M171H170-T173 PolarHBondContact O-OG1 3.11Å; M171-T173 VanDerWaalsContact C-N 3.33Å; M171-T173 PolarHBondContact O-N 3.11Å
174K38.8Very low46.7Very low156 Ų15685.3 Ų85.368%0.67845%0.447SS*.THydrogen-bonded Turntrans-108.63.4179.6-67.5-178.5177.3176.60113.3M171 L172M171-K174 PolarHBondContact O-N 3.27Å; L172-K174 PolarHBondContact O-N 3.5Å
175L39.3Very low47.5Very low26 Ų2678 Ų7814%0.13642%0.419CS..  trans-121.813.4-163.5-71.1177.5000114M171 L172 F180M171-L175 HydrophobicContact CB-CD1 4.01Å; M171-L175 VanDerWaalsContact O-CD1 3.31Å; M171-L175 WeakPolarHBondContact O-CD1 3.32Å; M171-L175 WeakPolarHBondContact O-CG 3.44Å; L172-L175 PolarHBondContact O-N 3.05Å; L172-L175 VanDerWaalsContact O-N 3.15Å; L175-F180 HydrophobicContact CB-CZ 3.82Å; L175-F180 HydrophobicContact CD1-CE1 4.33Å; L175-F180 HydrophobicContact CD1-CZ 3.95Å; L175-F180 HydrophobicContact CD2-CE1 3.6Å; L175-F180 HydrophobicContact CD2-CZ 3.41Å; L175-F180 VanDerWaalsContact CD2-CZ 3.41Å; L175-F180 HydrophobicContact CG-CE1 4.39Å; L175-F180 HydrophobicContact CG-CZ 3.84Å
176I43.7Very low47.8Very low121 Ų12178.1 Ų78.162%0.62142%0.417SS*.THydrogen-bonded Turntrans-78127.2175.9-52.5172.5000108.6A217I176-A217 HydrophobicContact CG2-CB 4.31Å
177G40.4Very low48.2Very low26 Ų2669.8 Ų69.827%0.26838%0.382SS..THydrogen-bonded Turntrans75.344-178.200000113.6A191 T192G177-A191 WeakPolarHBondContact O-CA 3.35Å; G177-T192 WeakPolarHBondContact CA-OG1 3.36Å; G177-T192 PolarHBondContact O-N 2.78Å; G177-T192 PolarHBondContact O-OG1 2.91Å
178V46.4Very low48.5Very low20 Ų2069.1 Ų69.112%0.12138%0.378CS..EExtended strand (participates in β ladder)trans-136.9128-177.1-171.30000110F180 A189 V190V178-F180 HydrophobicContact CB-CE2 4.13Å; V178-F180 HydrophobicContact CB-CZ 3.98Å; V178-F180 HydrophobicContact CG1-CE1 4.12Å; V178-F180 HydrophobicContact CG1-CE2 4.37Å; V178-F180 HydrophobicContact CG1-CZ 3.96Å; V178-F180 WeakPolarHBondContact O-CD2 3.46Å; V178-F180 WeakPolarHBondContact O-CE2 3.38Å; V178-A189 HydrophobicContact CG1-CB 3.63Å; V178-V190 CarbonylContact C-O 3.59Å; V178-V190 WeakPolarHBondContact CA-O 3.27Å; V178-V190 WeakPolarHBondContact CG1-O 3.44Å
179H48.6Very low48.7Very low64 Ų6466.3 Ų66.330%0.29636%0.361SS..EExtended strand (participates in β ladder)trans-82.4128172.2177.9-98000109.5A189 V190 T192 D212H179-A189 WeakPolarHBondContact O-CA 3.42Å; H179-V190 HydrophobicContact CB-CB 4.35Å; H179-V190 PolarHBondContact N-O 3.06Å; H179-V190 PolarHBondContact O-N 3.2Å; H179-T192 HydrophobicContact CB-CG2 3.93Å; H179-D212 IonicContact NE2-OD1 3.78Å; H179-D212 PolarHBondContact NE2-OD1 2.97Å
180F55.3Low49.1Very low19 Ų1963 Ų638%0.08334%0.341CS..EExtended strand (participates in β ladder)trans-110.9131.4-180-63.1-81.2000111.7L175 V178 L187 L188 A189 I213 I215L175-F180 HydrophobicContact CB-CZ 3.82Å; L175-F180 HydrophobicContact CD1-CE1 4.33Å; L175-F180 HydrophobicContact CD1-CZ 3.95Å; L175-F180 HydrophobicContact CD2-CE1 3.6Å; L175-F180 HydrophobicContact CD2-CZ 3.41Å; L175-F180 VanDerWaalsContact CD2-CZ 3.41Å; L175-F180 HydrophobicContact CG-CE1 4.39Å; L175-F180 HydrophobicContact CG-CZ 3.84Å; V178-F180 HydrophobicContact CB-CE2 4.13Å; V178-F180 HydrophobicContact CB-CZ 3.98Å; V178-F180 HydrophobicContact CG1-CE1 4.12Å; V178-F180 HydrophobicContact CG1-CE2 4.37Å; V178-F180 HydrophobicContact CG1-CZ 3.96Å; V178-F180 WeakPolarHBondContact O-CD2 3.46Å; V178-F180 WeakPolarHBondContact O-CE2 3.38Å; F180-L187 HydrophobicContact CD1-CD1 3.98Å; F180-L187 HydrophobicContact CD1-CD2 3.78Å; F180-L187 HydrophobicContact CD1-CG 3.89Å; F180-L187 HydrophobicContact CE1-CD2 3.86Å; F180-L187 HydrophobicContact CE1-CG 4.48Å; F180-L188 VanDerWaalsContact CA-O 3.32Å; F180-L188 WeakPolarHBondContact CA-O 3.08Å; F180-A189 HydrophobicContact CD1-CB 3.85Å; F180-A189 HydrophobicContact CE1-CB 3.61Å; F180-I213 PolarHBondContact N-O 3.13Å; F180-I215 HydrophobicContact CE2-CD1 4.29Å
181T49.1Very low48.9Very low45 Ų4558 Ų5828%0.27632%0.321SS..EExtended strand (participates in β ladder)trans-122.8123162.252.10000108.8L188T181-L188 PolarHBondContact N-O 3.28Å; T181-L188 WeakPolarHBondContact O-CB 3.15Å; T181-L188 PolarHBondContact O-N 3.25Å; T181-L188 WeakPolarHBondContact OG1-CB 3.36Å; T181-L188 WeakPolarHBondContact OG1-CD2 3.43Å
182M52.9Low48.8Very low13 Ų1359.6 Ų59.66%0.06433%0.334CS..EExtended strand (participates in β ladder)trans-103.4121.7174.3-168.4160.762.200109.6Q186 V204 A207 T209 F211M182-Q186 WeakPolarHBondContact CA-O 2.97Å; M182-V204 HydrophobicContact SD-CG2 4.49Å; M182-A207 HydrophobicContact CE-CB 3.83Å; M182-A207 HydrophobicContact CG-CB 4.44Å; M182-A207 HydrophobicContact SD-CB 3.54Å; M182-A207 VanDerWaalsContact SD-CB 3.54Å; M182-T209 WeakPolarHBondContact CE-O 3.44Å; M182-F211 HydrophobicContact CE-CD2 3.43Å; M182-F211 VanDerWaalsContact CE-CD2 3.43Å; M182-F211 HydrophobicContact CE-CE2 3.98Å; M182-F211 HydrophobicContact CE-CG 4.45Å; M182-F211 PolarHBondContact N-O 3.36Å
183S54.4Low48.8Very low56 Ų5658.7 Ų58.739%0.39233%0.33SS..EExtended strand (participates in β ladder)trans-146.1143.1173.766.90000109.9G185 Q186S183-G185 VanDerWaalsContact C-N 3.33Å; S183-G185 PolarHBondContact O-N 3.38Å; S183-Q186 PolarHBondContact N-O 2.88Å; S183-Q186 WeakPolarHBondContact O-CB 3.32Å; S183-Q186 PolarHBondContact O-N 2.84Å
184N60.2Low48.9Very low154 Ų15459.8 Ų59.882%0.82434%0.341SS*.THydrogen-bonded Turntrans52.839.3175.2-60.9-40.2000115.4Q186N184-Q186 PolarHBondContact O-N 3.39Å
185G58.7Low48.8Very low24 Ų2461.2 Ų61.225%0.24735%0.35CS..THydrogen-bonded Turntrans69.915.9-177.900000114.2S183 V204S183-G185 VanDerWaalsContact C-N 3.33Å; S183-G185 PolarHBondContact O-N 3.38Å; G185-V204 PolarHBondContact O-N 3.1Å
186Q54.5Low48.9Very low100 Ų10068.2 Ų68.247%0.46738%0.375SS..EExtended strand (participates in β ladder)trans-120128.4177.8-61.4-175.4-6.900110.1M182 S183 N184 I201M182-Q186 WeakPolarHBondContact CA-O 2.97Å; S183-Q186 PolarHBondContact N-O 2.88Å; S183-Q186 WeakPolarHBondContact O-CB 3.32Å; S183-Q186 PolarHBondContact O-N 2.84Å; N184-Q186 PolarHBondContact O-N 3.39Å; Q186-I201 HydrophobicContact CB-CG2 4.12Å; Q186-I201 HydrophobicContact CG-CG2 4.31Å
187L53.9Low48.4Very low15 Ų1571.7 Ų71.78%0.07939%0.393CS..EExtended strand (participates in β ladder)trans-95.4110.3171.2-178.7116.4000108.5F180 I201 V202 V204F180-L187 HydrophobicContact CD1-CD1 3.98Å; F180-L187 HydrophobicContact CD1-CD2 3.78Å; F180-L187 HydrophobicContact CD1-CG 3.89Å; F180-L187 HydrophobicContact CE1-CD2 3.86Å; F180-L187 HydrophobicContact CE1-CG 4.48Å; L187-I201 WeakPolarHBondContact O-CA 3.43Å; L187-V202 HydrophobicContact CB-CB 4.45Å; L187-V202 HydrophobicContact CD2-CB 4.24Å; L187-V202 HydrophobicContact CD2-CG2 4.44Å; L187-V202 PolarHBondContact N-O 2.92Å; L187-V202 PolarHBondContact O-N 3.2Å; L187-V204 HydrophobicContact CB-CG2 3.67Å
188L57.8Low48.4Very low54 Ų5473.5 Ų73.528%0.28340%0.402SS..EExtended strand (participates in β ladder)trans-91.3120.8171.6174.868.2000108.6F180 T181 V190 I201F180-L188 VanDerWaalsContact CA-O 3.32Å; F180-L188 WeakPolarHBondContact CA-O 3.08Å; T181-L188 PolarHBondContact N-O 3.28Å; T181-L188 WeakPolarHBondContact O-CB 3.15Å; T181-L188 PolarHBondContact O-N 3.25Å; T181-L188 WeakPolarHBondContact OG1-CB 3.36Å; T181-L188 WeakPolarHBondContact OG1-CD2 3.43Å; L188-V190 HydrophobicContact CD1-CG2 4.41Å; L188-V190 HydrophobicContact CD2-CG2 4.25Å; L188-V190 HydrophobicContact CG-CG2 4.01Å; L188-I201 HydrophobicContact CD1-CG1 4.14Å
189A50Low48.3Very low10 Ų1079.9 Ų79.98%0.08343%0.431CS..EExtended strand (participates in β ladder)trans-113.9119-179.700000109V178 H179 F180 R200V178-A189 HydrophobicContact CG1-CB 3.63Å; H179-A189 WeakPolarHBondContact O-CA 3.42Å; F180-A189 HydrophobicContact CD1-CB 3.85Å; F180-A189 HydrophobicContact CE1-CB 3.61Å; A189-R200 PolarHBondContact N-O 3.42Å; A189-R200 PolarHBondContact O-N 3.42Å; A189-R200 VanDerWaalsContact O-N 3.15Å
190V50.7Low48.5Very low47 Ų4784.9 Ų84.929%0.28545%0.447SS..EExtended strand (participates in β ladder)trans-119.4120.8-176.9-176.30000108.6V178 H179 L188 T192V178-V190 CarbonylContact C-O 3.59Å; V178-V190 WeakPolarHBondContact CA-O 3.27Å; V178-V190 WeakPolarHBondContact CG1-O 3.44Å; H179-V190 HydrophobicContact CB-CB 4.35Å; H179-V190 PolarHBondContact N-O 3.06Å; H179-V190 PolarHBondContact O-N 3.2Å; L188-V190 HydrophobicContact CD1-CG2 4.41Å; L188-V190 HydrophobicContact CD2-CG2 4.25Å; L188-V190 HydrophobicContact CG-CG2 4.01Å; V190-T192 PolarHBondContact O-N 3.43Å
191A46Very low48.5Very low21 Ų2189.2 Ų89.217%0.17447%0.47CS..EExtended strand (participates in β ladder)trans-58139.6177.600000111.1G177 R196G177-A191 WeakPolarHBondContact O-CA 3.35Å; A191-R196 HydrophobicContact CB-CB 3.91Å; A191-R196 WeakPolarHBondContact CB-O 3.23Å
192T45.5Very low48.8Very low84 Ų8489.3 Ų89.352%0.51547%0.47SS..SBendtrans-92.32.5177.561.60000112.7G177 H179 V190G177-T192 WeakPolarHBondContact CA-OG1 3.36Å; G177-T192 PolarHBondContact O-N 2.78Å; G177-T192 PolarHBondContact O-OG1 2.91Å; H179-T192 HydrophobicContact CB-CG2 3.93Å; V190-T192 PolarHBondContact O-N 3.43Å
193D42.5Very low48.7Very low73 Ų7394 Ų9439%0.3950%0.502SS..SBendtrans-98.1148.1174.385.941.1000111.3H195 R196D193-H195 PolarHBondContact O-N 3.41Å; D193-H195 VanDerWaalsContact OD1-C 3.24Å; D193-H195 WeakPolarHBondContact OD1-CA 3.25Å; D193-H195 PolarHBondContact OD1-N 2.99Å; D193-R196 WeakPolarHBondContact OD1-CB 3.46Å; D193-R196 PolarHBondContact OD1-N 2.9Å; D193-R196 WeakPolarHBondContact OD2-CD 3.44Å
194S38.8Very low48.8Very low127 Ų12792.9 Ų92.989%0.88849%0.492SS*.THydrogen-bonded Turntrans-72.3-2.3-177.5-410000114
195H36.6Very low48.3Very low186 Ų18694.3 Ų94.386%0.86149%0.494SS*.THydrogen-bonded Turntrans-119.51.3-170.4-88.6-70.4000114.6D193D193-H195 PolarHBondContact O-N 3.41Å; D193-H195 VanDerWaalsContact OD1-C 3.24Å; D193-H195 WeakPolarHBondContact OD1-CA 3.25Å; D193-H195 PolarHBondContact OD1-N 2.99Å
196R40.9Very low47.9Very low174 Ų174101.3 Ų101.366%0.65753%0.526SS*.  trans-127.983.7176.9-71.6-175.8168-177.20111.9A191 D193 S198A191-R196 HydrophobicContact CB-CB 3.91Å; A191-R196 WeakPolarHBondContact CB-O 3.23Å; D193-R196 WeakPolarHBondContact OD1-CB 3.46Å; D193-R196 PolarHBondContact OD1-N 2.9Å; D193-R196 WeakPolarHBondContact OD2-CD 3.44Å; R196-S198 PolarHBondContact O-N 2.99Å
197L32.6Very low47.5Very low193 Ų19397.5 Ų97.5100%1.0151%0.511SS*.  trans-72.263168-82.3161.2000112.1
198S40.5Very low47.2Very low64 Ų64104.8 Ų104.845%0.44855%0.55SS.*  trans-115.7110.317168.20000110.8R196R196-S198 PolarHBondContact O-N 2.99Å
199Q45.1Very low46.6Very low155 Ų155105.5 Ų105.572%0.72456%0.557SS**EExtended strand (participates in β ladder)trans-87.6133.5163.6-68.4179.6-9.400108.7
200R53.3Low46.4Very low169 Ų169111.1 Ų111.164%0.63859%0.586SS**EExtended strand (participates in β ladder)trans-129.3133169.2-79.5-174.7173.8166.51110.7A189A189-R200 PolarHBondContact N-O 3.42Å; A189-R200 PolarHBondContact O-N 3.42Å; A189-R200 VanDerWaalsContact O-N 3.15Å
201I54Low46.1Very low110 Ų110112.2 Ų112.256%0.56459%0.587SS**EExtended strand (participates in β ladder)trans-103.6120.9172-59.8171.1000106.6Q186 L187 L188Q186-I201 HydrophobicContact CB-CG2 4.12Å; Q186-I201 HydrophobicContact CG-CG2 4.31Å; L187-I201 WeakPolarHBondContact O-CA 3.43Å; L188-I201 HydrophobicContact CD1-CG1 4.14Å
202V56.4Low45.8Very low47 Ų47116.7 Ų116.729%0.28561%0.608SS.*EExtended strand (participates in β ladder)trans-117.1123176.2-174.40000108.5M171 L187M171-V202 HydrophobicContact CE-CG1 4.36Å; L187-V202 HydrophobicContact CB-CB 4.45Å; L187-V202 HydrophobicContact CD2-CB 4.24Å; L187-V202 HydrophobicContact CD2-CG2 4.44Å; L187-V202 PolarHBondContact N-O 2.92Å; L187-V202 PolarHBondContact O-N 3.2Å
203P50.7Low45.5Very low111 Ų111116.9 Ų116.972%0.72161%0.605SS**EExtended strand (participates in β ladder)trans-67.9134.3172.726.8-31.2000110.1
204V56.3Low45.3Very low33 Ų33118.1 Ų118.120%0.262%0.615CS.*  trans-119.6114.7178.6-175.60000108.8M182 G185 L187 A207M182-V204 HydrophobicContact SD-CG2 4.49Å; G185-V204 PolarHBondContact O-N 3.1Å; L187-V204 HydrophobicContact CB-CG2 3.67Å; V204-A207 HydrophobicContact CB-CB 4.38Å; V204-A207 HydrophobicContact CG1-CB 4.11Å
205E50.3Low45.1Very low184 Ų184115.8 Ų115.886%0.8659%0.592SS**THydrogen-bonded Turntrans-68.5133.9174.3-68.6-175.116900110.3
206N50.7Low44.9Very low170 Ų170110.9 Ų110.991%0.90958%0.576SS**THydrogen-bonded Turntrans70.726175.9-60.5-28.7000118.1
207A45.7Very low44.6Very low20 Ų20106.1 Ų106.117%0.16557%0.574CS.*  trans-93.7104.217200000112M182 V204M182-A207 HydrophobicContact CE-CB 3.83Å; M182-A207 HydrophobicContact CG-CB 4.44Å; M182-A207 HydrophobicContact SD-CB 3.54Å; M182-A207 VanDerWaalsContact SD-CB 3.54Å; V204-A207 HydrophobicContact CB-CB 4.38Å; V204-A207 HydrophobicContact CG1-CB 4.11Å
208N47.1Very low44.6Very low168 Ų168104.4 Ų104.490%0.89856%0.564SS**  trans-104.117.2179.5-109.66.9000113.2
209T45Very low44.4Very low70 Ų70104.4 Ų104.443%0.42957%0.568SS.*SBendtrans-141.6132.6-17023.90000110.2M182 F211M182-T209 WeakPolarHBondContact CE-O 3.44Å; T209-F211 VanDerWaalsContact CB-CE2 3.4Å; T209-F211 VanDerWaalsContact O-CD2 3.32Å; T209-F211 WeakPolarHBondContact O-CD2 3.48Å; T209-F211 WeakPolarHBondContact OG1-CE2 3.46Å
210D45.8Very low44.1Very low128 Ų128104.2 Ų104.268%0.68457%0.572SS**  trans-78.5134.5175.9-64.6-35.1000109.6
211F44Very low44Very low69 Ų69103.2 Ų103.230%0.30358%0.58SS.*EExtended strand (participates in β ladder)trans-139147176.9-66.1-89000111.6N163 M182 T209 I213N163-F211 HydrophobicContact CB-CE1 3.85Å; N163-F211 HydrophobicContact CB-CZ 3.64Å; M182-F211 HydrophobicContact CE-CD2 3.43Å; M182-F211 VanDerWaalsContact CE-CD2 3.43Å; M182-F211 HydrophobicContact CE-CE2 3.98Å; M182-F211 HydrophobicContact CE-CG 4.45Å; M182-F211 PolarHBondContact N-O 3.36Å; T209-F211 VanDerWaalsContact CB-CE2 3.4Å; T209-F211 VanDerWaalsContact O-CD2 3.32Å; T209-F211 WeakPolarHBondContact O-CD2 3.48Å; T209-F211 WeakPolarHBondContact OG1-CE2 3.46Å; F211-I213 HydrophobicContact CB-CD1 4.28Å; F211-I213 HydrophobicContact CB-CG1 4.36Å
212D39.9Very low43.7Very low116 Ų11699.5 Ų99.562%0.6256%0.563SS**EExtended strand (participates in β ladder)trans-126.7113.2173.9-171.4-0.5000107.8H179H179-D212 IonicContact NE2-OD1 3.78Å; H179-D212 PolarHBondContact NE2-OD1 2.97Å
213I39.6Very low43.3Very low87 Ų8799.5 Ų99.545%0.44656%0.563SS.*EExtended strand (participates in β ladder)trans-138.3130.6-170.5-58.4176.6000110.3F180 F211 I215F180-I213 PolarHBondContact N-O 3.13Å; F211-I213 HydrophobicContact CB-CD1 4.28Å; F211-I213 HydrophobicContact CB-CG1 4.36Å; I213-I215 HydrophobicContact CG2-CG1 4.18Å
214V37.8Very low43.1Very low99 Ų9997.8 Ų97.860%0.655%0.547SS*.EExtended strand (participates in β ladder)trans-114.3125172.2-179.10000108.9P216V214-P216 WeakPolarHBondContact O-CD 3.41Å
215I35Very low42.5Very low79 Ų7997.4 Ų97.441%0.40554%0.544SS..  trans-104.6106.7179.7-55.3179000109.6F180 I213F180-I215 HydrophobicContact CE2-CD1 4.29Å; I213-I215 HydrophobicContact CG2-CG1 4.18Å
216P32.2Very low42.3Very low82 Ų8291.9 Ų91.953%0.53252%0.515SS..  trans-73.1147.6170.728.3-30.6000111.3V214V214-P216 WeakPolarHBondContact O-CD 3.41Å
217A35.3Very low41.8Very low74 Ų7483.9 Ų83.961%0.61247%0.473SS*.  trans-72134.118000000111.4I176I176-A217 HydrophobicContact CG2-CB 4.31Å
218I31.2Very low41.7Very low158 Ų15888.9 Ų88.981%0.8150%0.497SS*.  trans-119.8126.4169.6-57.4171.7000105.5
219A37.5Very low41.2Very low63 Ų6381.9 Ų81.952%0.52146%0.461SS..  trans-138.3114.8172.800000111.9
220D38.6Very low40.7Very low152 Ų15285.2 Ų85.281%0.81348%0.484SS*.THydrogen-bonded Turntrans-58.1144.6171.2-65.4-44.7000111.9S222D220-S222 PolarHBondContact O-N 2.69Å
221N50.4Low40.2Very low148 Ų14887.9 Ų87.979%0.79149%0.493SS*.THydrogen-bonded Turntrans65.915.1171.5-90.323.5000118.7Y241N221-Y241 PolarHBondContact O-OH 2.92Å
222S48.4Very low39.8Very low31 Ų3187.9 Ų87.922%0.21750%0.495CS..  trans-116.4140170.357.80000110.5D220 I224D220-S222 PolarHBondContact O-N 2.69Å; S222-I224 WeakPolarHBondContact OG-CD1 2.98Å; S222-I224 WeakPolarHBondContact OG-CG1 3.17Å
223V47.2Very low39.8Very low47 Ų4784 Ų8429%0.28548%0.483SS..EExtended strand (participates in β ladder)trans-92.3100.3166.91760000105.6L239 Y241 V244V223-L239 HydrophobicContact CB-CB 4.04Å; V223-L239 HydrophobicContact CB-CD1 4.38Å; V223-L239 HydrophobicContact CG1-CB 4.09Å; V223-L239 HydrophobicContact CG1-CD1 3.53Å; V223-L239 HydrophobicContact CG1-CG 4.23Å; V223-L239 PolarHBondContact O-N 2.63Å; V223-Y241 HydrophobicContact CB-CD1 4.08Å; V223-Y241 HydrophobicContact CB-CE1 4.38Å; V223-Y241 HydrophobicContact CG2-CD1 3.57Å; V223-Y241 HydrophobicContact CG2-CE1 3.77Å; V223-Y241 HydrophobicContact CG2-CG 4.27Å; V223-V244 HydrophobicContact CG2-CG2 3.67Å
224I47.4Very low40.1Very low76 Ų7686.2 Ų86.239%0.3949%0.489SS..EExtended strand (participates in β ladder)trans-96.3119.1178.8-56.1177.1000107.9S222 E236S222-I224 WeakPolarHBondContact OG-CD1 2.98Å; S222-I224 WeakPolarHBondContact OG-CG1 3.17Å; I224-E236 HydrophobicContact CG2-CB 4.26Å; I224-E236 HydrophobicContact CG2-CG 4.5Å
225L43.9Very low40.4Very low25 Ų2583 Ų8313%0.13147%0.469CS..EExtended strand (participates in β ladder)trans-85.3120.6165.8-79.8159.3000108.4E236 E237 L239 F253 M258L225-E236 CarbonylContact O-C 3.55Å; L225-E236 VanDerWaalsContact O-CA 3.31Å; L225-E236 WeakPolarHBondContact O-CA 3.24Å; L225-E237 PolarHBondContact N-O 3.03Å; L225-E237 PolarHBondContact O-N 3.44Å; L225-L239 HydrophobicContact CD1-CD1 3.29Å; L225-L239 HydrophobicContact CD1-CD2 3.48Å; L225-L239 VanDerWaalsContact CD1-CD2 3.48Å; L225-L239 HydrophobicContact CD1-CG 3.34Å; L225-L239 HydrophobicContact CG-CD1 3.86Å; L225-L239 HydrophobicContact CG-CG 4.08Å; L225-F253 HydrophobicContact CB-CZ 4.22Å; L225-F253 HydrophobicContact CD2-CE1 3.49Å; L225-F253 VanDerWaalsContact CD2-CE1 3.49Å; L225-F253 HydrophobicContact CD2-CZ 3.36Å; L225-F253 HydrophobicContact CG-CZ 4.3Å; L225-M258 HydrophobicContact CB-CE 3.57Å; L225-M258 HydrophobicContact CD1-CE 3.37Å; L225-M258 HydrophobicContact CD1-SD 3.7Å; L225-M258 HydrophobicContact CD2-CE 3.64Å; L225-M258 HydrophobicContact CD2-SD 3.79Å; L225-M258 HydrophobicContact CG-CE 3.67Å; L225-M258 HydrophobicContact CG-SD 4.25Å
226Y45.2Very low41Very low67 Ų6784.5 Ų84.526%0.26348%0.475SS..EExtended strand (participates in β ladder)trans-123.2149.6175.382.1-93.6000111.1V235 E250Y226-V235 CarbonylContact C-O 3.48Å; Y226-V235 WeakPolarHBondContact CA-O 2.99Å; Y226-E250 HydrophobicContact CE1-CG 3.73Å; Y226-E250 WeakPolarHBondContact CE1-OE1 3.44Å; Y226-E250 PolarHBondContact OH-OE1 2.61Å
227G40.1Very low41.7Very low2 Ų284 Ų842%0.02147%0.465CS..EExtended strand (participates in β ladder)trans-140.4137.6170.600000109.9K234 V235G227-K234 WeakPolarHBondContact O-CA 3.36Å; G227-V235 PolarHBondContact N-O 2.86Å; G227-V235 PolarHBondContact O-N 3.17Å
228N43.6Very low42.5Very low126 Ų12687.4 Ų87.467%0.67447%0.469SS*.EExtended strand (participates in β ladder)trans-123.2119.9175.4-168.713.8000108.9
229S37Very low43.2Very low20 Ų2082.6 Ų82.614%0.1444%0.444CS..EExtended strand (participates in β ladder)trans-123.9140.4178.4168.90000110.3E231 I232 G233S229-E231 PolarHBondContact O-N 2.88Å; S229-E231 PolarHBondContact OG-N 3.28Å; S229-E231 VanDerWaalsContact OG-N 3.09Å; S229-I232 PolarHBondContact O-N 2.64Å; S229-G233 PolarHBondContact N-O 2.79Å; S229-G233 VanDerWaalsContact N-O 3.15Å; S229-G233 PolarHBondContact O-N 3.08Å
230P35.5Very low43.8Very low141 Ų14186.7 Ų86.792%0.91646%0.462SS*.THydrogen-bonded Turntrans-54.1-22.9169.5-23.232.8000113.9
231E33.7Very low44.7Very low184 Ų18483.8 Ų83.886%0.8644%0.441SS*.THydrogen-bonded Turntrans-97.4-24.7-174.7-57.5-175-179.500113.4S229S229-E231 PolarHBondContact O-N 2.88Å; S229-E231 PolarHBondContact OG-N 3.28Å; S229-E231 VanDerWaalsContact OG-N 3.09Å
232I36Very low44.4Very low68 Ų6886.6 Ų86.635%0.34945%0.449SS..THydrogen-bonded Turntrans-124-13.2-167.9-31171000112.3S229 P255S229-I232 PolarHBondContact O-N 2.64Å; I232-P255 HydrophobicContact CD1-CG 4.5Å
233G41.3Very low44.3Very low35 Ų3593.6 Ų93.636%0.36148%0.475SS..EExtended strand (participates in β ladder)trans73.4-156.9-171.200000112.4S229S229-G233 PolarHBondContact N-O 2.79Å; S229-G233 VanDerWaalsContact N-O 3.15Å; S229-G233 PolarHBondContact O-N 3.08Å
234K45.8Very low44.6Very low134 Ų13495.5 Ų95.558%0.58349%0.487SS*.EExtended strand (participates in β ladder)trans-88.3124.7-177.2-169.8-175.8-177.4-160.10110.4G227 E236G227-K234 WeakPolarHBondContact O-CA 3.36Å; K234-E236 WeakPolarHBondContact CE-OE1 2.99Å; K234-E236 HydrophobicContact CG-CG 4.44Å; K234-E236 IonicContact NZ-OE1 3.98Å; K234-E236 PolarHBondContact NZ-OE1 3.18Å; K234-E236 IonicContact NZ-OE2 3.82Å
235V42.7Very low44.6Very low30 Ų3096.8 Ų96.818%0.18250%0.503CS..EExtended strand (participates in β ladder)trans-115.5134.4172.1-176.70000108.2Y226 G227 P255Y226-V235 CarbonylContact C-O 3.48Å; Y226-V235 WeakPolarHBondContact CA-O 2.99Å; G227-V235 PolarHBondContact N-O 2.86Å; G227-V235 PolarHBondContact O-N 3.17Å; V235-P255 HydrophobicContact CB-CB 3.76Å; V235-P255 HydrophobicContact CB-CG 3.82Å; V235-P255 HydrophobicContact CG1-CB 3.92Å; V235-P255 HydrophobicContact CG2-CB 3.75Å; V235-P255 HydrophobicContact CG2-CG 3.66Å
236E48.9Very low45Very low111 Ų11199 Ų9952%0.51953%0.532SS..EExtended strand (participates in β ladder)trans-131137.5176.7-65.8-179.8149.300109.5I224 L225 K234I224-E236 HydrophobicContact CG2-CB 4.26Å; I224-E236 HydrophobicContact CG2-CG 4.5Å; L225-E236 CarbonylContact O-C 3.55Å; L225-E236 VanDerWaalsContact O-CA 3.31Å; L225-E236 WeakPolarHBondContact O-CA 3.24Å; K234-E236 WeakPolarHBondContact CE-OE1 2.99Å; K234-E236 HydrophobicContact CG-CG 4.44Å; K234-E236 IonicContact NZ-OE1 3.98Å; K234-E236 PolarHBondContact NZ-OE1 3.18Å; K234-E236 IonicContact NZ-OE2 3.82Å
237E46.3Very low44.8Very low71 Ų71103.2 Ų103.233%0.33256%0.559SS.*EExtended strand (participates in β ladder)trans-140.3130.4176-169.6163.3-171.200110.6L225 L262L225-E237 PolarHBondContact N-O 3.03Å; L225-E237 PolarHBondContact O-N 3.44Å; E237-L262 HydrophobicContact CG-CD1 4.23Å; E237-L262 VanDerWaalsContact OE1-CD1 3.24Å; E237-L262 WeakPolarHBondContact OE1-CD1 3.38Å; E237-L262 WeakPolarHBondContact OE2-CD1 3.41Å
238E51.5Low45.1Very low147 Ų147109.6 Ų109.669%0.68760%0.6SS**EExtended strand (participates in β ladder)trans-90.2122.6-179.1-170.6176.6-174.500110.1
239L46.8Very low44.9Very low57 Ų57108.7 Ų108.730%0.29860%0.595SS.*EExtended strand (participates in β ladder)trans-87.8139.3177.8-71.6177.3000112.6V223 L225 L262V223-L239 HydrophobicContact CB-CB 4.04Å; V223-L239 HydrophobicContact CB-CD1 4.38Å; V223-L239 HydrophobicContact CG1-CB 4.09Å; V223-L239 HydrophobicContact CG1-CD1 3.53Å; V223-L239 HydrophobicContact CG1-CG 4.23Å; V223-L239 PolarHBondContact O-N 2.63Å; L225-L239 HydrophobicContact CD1-CD1 3.29Å; L225-L239 HydrophobicContact CD1-CD2 3.48Å; L225-L239 VanDerWaalsContact CD1-CD2 3.48Å; L225-L239 HydrophobicContact CD1-CG 3.34Å; L225-L239 HydrophobicContact CG-CD1 3.86Å; L225-L239 HydrophobicContact CG-CG 4.08Å; L239-L262 HydrophobicContact CD2-CD2 4.14Å
240V49.7Very low45Very low149 Ų149114.2 Ų114.290%0.90362%0.618SS**PPolyproline II helixtrans-84.4125.6163.4-175.50000108.9
241Y58.4Low45.1Very low90 Ų90110.8 Ų110.835%0.35359%0.591SS.*  trans-130.3148.8-17960-94.2000111.8N221 V223 V244N221-Y241 PolarHBondContact O-OH 2.92Å; V223-Y241 HydrophobicContact CB-CD1 4.08Å; V223-Y241 HydrophobicContact CB-CE1 4.38Å; V223-Y241 HydrophobicContact CG2-CD1 3.57Å; V223-Y241 HydrophobicContact CG2-CE1 3.77Å; V223-Y241 HydrophobicContact CG2-CG 4.27Å; Y241-V244 HydrophobicContact CD1-CG2 3.98Å; Y241-V244 HydrophobicContact CD2-CB 3.99Å; Y241-V244 HydrophobicContact CD2-CG2 3.24Å; Y241-V244 HydrophobicContact CE1-CG2 4.17Å; Y241-V244 HydrophobicContact CE2-CB 3.79Å; Y241-V244 HydrophobicContact CE2-CG2 3.44Å; Y241-V244 VanDerWaalsContact CE2-CG2 3.44Å; Y241-V244 HydrophobicContact CG-CG2 3.52Å
242E43.8Very low45.2Very low208 Ų208105.2 Ų105.297%0.97257%0.573SS**SBendtrans-80.5-34.5177.2-71.1-169.1158.500113.1
243K46.1Very low45.4Very low177 Ų177104.4 Ų104.477%0.7757%0.567SS**  trans-159.9135.7176.9-172179.6177.5-1730110.3
244V52.6Low45.3Very low87 Ų87105.8 Ų105.853%0.52757%0.566SS.*  trans-120.4133171.8167.40000108.7V223 Y241V223-V244 HydrophobicContact CG2-CG2 3.67Å; Y241-V244 HydrophobicContact CD1-CG2 3.98Å; Y241-V244 HydrophobicContact CD2-CB 3.99Å; Y241-V244 HydrophobicContact CD2-CG2 3.24Å; Y241-V244 HydrophobicContact CE1-CG2 4.17Å; Y241-V244 HydrophobicContact CE2-CB 3.79Å; Y241-V244 HydrophobicContact CE2-CG2 3.44Å; Y241-V244 VanDerWaalsContact CE2-CG2 3.44Å; Y241-V244 HydrophobicContact CG-CG2 3.52Å
245S48.8Very low44.8Very low104 Ų10499.7 Ų99.773%0.72754%0.54SS*.  trans-149.7134.9174.2580000109.7
246G51.8Low44.6Very low72 Ų72101.7 Ų101.774%0.74255%0.55SS*.SBendtrans129.3178.9-179.700000112.3
247D41.7Very low44.3Very low155 Ų155101.8 Ų101.883%0.82955%0.546SS*.SBendtrans-71.1153.3172.8-64.5-43000110.9L249D247-L249 PolarHBondContact O-N 3.3Å
248P44.5Very low44Very low136 Ų13699.9 Ų99.988%0.88354%0.538SS*.  trans-54.9129175.8-22.632.6000111.4
249L40.8Very low43.4Very low106 Ų10696.4 Ų96.456%0.55552%0.52SS*.  trans-109.8120.4178.2-173.271.2000109.2V128 D247 I251V128-L249 HydrophobicContact CG2-CD1 3.98Å; D247-L249 PolarHBondContact O-N 3.3Å; L249-I251 HydrophobicContact CD2-CD1 3.69Å; L249-I251 HydrophobicContact CD2-CG1 3.91Å; L249-I251 HydrophobicContact CG-CD1 4.25Å; L249-I251 HydrophobicContact CG-CG1 3.9Å
250E39.2Very low43.1Very low136 Ų13698 Ų9864%0.63653%0.529SS*.  trans-100111.2177.6-146.5176.1-169.300109.5Y226Y226-E250 HydrophobicContact CE1-CG 3.73Å; Y226-E250 WeakPolarHBondContact CE1-OE1 3.44Å; Y226-E250 PolarHBondContact OH-OE1 2.61Å
251I37.3Very low42.3Very low69 Ų6992.1 Ų92.135%0.35450%0.496SS..  trans-116.1118.2179.3-48.9177.9000108.5L126 L249 F253L126-I251 HydrophobicContact CD1-CD1 3.69Å; L249-I251 HydrophobicContact CD2-CD1 3.69Å; L249-I251 HydrophobicContact CD2-CG1 3.91Å; L249-I251 HydrophobicContact CG-CD1 4.25Å; L249-I251 HydrophobicContact CG-CG1 3.9Å; I251-F253 HydrophobicContact CB-CE1 4.34Å; I251-F253 HydrophobicContact CG2-CD1 3.81Å; I251-F253 HydrophobicContact CG2-CE1 4.1Å
252S36.3Very low41.3Very low67 Ų6790.5 Ų90.547%0.46949%0.494SS..  trans-100122.4172.4-72.70000110.8
253F40.3Very low41.4Very low51 Ų5186.5 Ų86.522%0.22447%0.469CS..  trans-136.7166.4168.847.1-95.1000109.1L225 I251 M258L225-F253 HydrophobicContact CB-CZ 4.22Å; L225-F253 HydrophobicContact CD2-CE1 3.49Å; L225-F253 VanDerWaalsContact CD2-CE1 3.49Å; L225-F253 HydrophobicContact CD2-CZ 3.36Å; L225-F253 HydrophobicContact CG-CZ 4.3Å; I251-F253 HydrophobicContact CB-CE1 4.34Å; I251-F253 HydrophobicContact CG2-CD1 3.81Å; I251-F253 HydrophobicContact CG2-CE1 4.1Å; F253-M258 HydrophobicContact CD1-SD 4.42Å; F253-M258 HydrophobicContact CD2-CB 4.42Å; F253-M258 HydrophobicContact CD2-CE 4Å; F253-M258 HydrophobicContact CD2-SD 4.08Å; F253-M258 HydrophobicContact CE1-CE 4.04Å; F253-M258 HydrophobicContact CE1-SD 3.85Å; F253-M258 HydrophobicContact CE2-CB 4.24Å; F253-M258 HydrophobicContact CE2-CE 2.99Å; F253-M258 HydrophobicContact CE2-SD 3.53Å; F253-M258 VanDerWaalsContact CE2-SD 3.53Å; F253-M258 HydrophobicContact CZ-CE 3.05Å; F253-M258 HydrophobicContact CZ-SD 3.44Å; F253-M258 WeakPolarHBondContact CZ-SD 3.27Å
254N38.9Very low41.2Very low64 Ų6481.9 Ų81.934%0.34246%0.464SS..  trans-68.2125.3173.2171.5-16000109.4D256 Y257N254-D256 PolarHBondContact O-N 2.67Å; N254-D256 VanDerWaalsContact O-N 3.1Å; N254-D256 PolarHBondContact OD1-N 2.79Å; N254-D256 VanDerWaalsContact OD1-N 3.11Å; N254-Y257 HydrophobicContact CB-CD2 3.6Å; N254-Y257 HydrophobicContact CB-CE2 3.57Å; N254-Y257 PolarHBondContact O-N 2.76Å
255P35Very low40.4Very low7 Ų784.4 Ų84.45%0.04547%0.468CS..THydrogen-bonded Turntrans-54.9-29.3-173.5-16.318.9000115.3I232 V235 Y257 M258 K259I232-P255 HydrophobicContact CD1-CG 4.5Å; V235-P255 HydrophobicContact CB-CB 3.76Å; V235-P255 HydrophobicContact CB-CG 3.82Å; V235-P255 HydrophobicContact CG1-CB 3.92Å; V235-P255 HydrophobicContact CG2-CB 3.75Å; V235-P255 HydrophobicContact CG2-CG 3.66Å; P255-Y257 VanDerWaalsContact C-N 3.29Å; P255-Y257 PolarHBondContact O-N 3.16Å; P255-M258 PolarHBondContact O-N 2.92Å; P255-K259 PolarHBondContact O-N 3.21Å
256D39Very low39.7Very low71 Ų7182.9 Ų82.938%0.3847%0.47SS..Hα-helixtrans-67.5-31.9-174.8-65.6-28.9000112.1N254 M258 D260N254-D256 PolarHBondContact O-N 2.67Å; N254-D256 VanDerWaalsContact O-N 3.1Å; N254-D256 PolarHBondContact OD1-N 2.79Å; N254-D256 VanDerWaalsContact OD1-N 3.11Å; D256-M258 PolarHBondContact O-N 3.48Å; D256-M258 VanDerWaalsContact O-N 3.14Å; D256-D260 PolarHBondContact O-N 3.39Å
257Y42.1Very low38.8Very low114 Ų11488 Ų8845%0.44748%0.48SS..Hα-helixtrans-66.8-17.7-179.8-63.8-55.7000114.1N254 P255N254-Y257 HydrophobicContact CB-CD2 3.6Å; N254-Y257 HydrophobicContact CB-CE2 3.57Å; N254-Y257 PolarHBondContact O-N 2.76Å; P255-Y257 VanDerWaalsContact C-N 3.29Å; P255-Y257 PolarHBondContact O-N 3.16Å
258M40Very low38.5Very low30 Ų3088.5 Ų88.515%0.14848%0.479CS..Hα-helixtrans-111.2-27.7-173.2-149.8161.558.700113.5L225 F253 P255 D256 D260 A261 L262L225-M258 HydrophobicContact CB-CE 3.57Å; L225-M258 HydrophobicContact CD1-CE 3.37Å; L225-M258 HydrophobicContact CD1-SD 3.7Å; L225-M258 HydrophobicContact CD2-CE 3.64Å; L225-M258 HydrophobicContact CD2-SD 3.79Å; L225-M258 HydrophobicContact CG-CE 3.67Å; L225-M258 HydrophobicContact CG-SD 4.25Å; F253-M258 HydrophobicContact CD1-SD 4.42Å; F253-M258 HydrophobicContact CD2-CB 4.42Å; F253-M258 HydrophobicContact CD2-CE 4Å; F253-M258 HydrophobicContact CD2-SD 4.08Å; F253-M258 HydrophobicContact CE1-CE 4.04Å; F253-M258 HydrophobicContact CE1-SD 3.85Å; F253-M258 HydrophobicContact CE2-CB 4.24Å; F253-M258 HydrophobicContact CE2-CE 2.99Å; F253-M258 HydrophobicContact CE2-SD 3.53Å; F253-M258 VanDerWaalsContact CE2-SD 3.53Å; F253-M258 HydrophobicContact CZ-CE 3.05Å; F253-M258 HydrophobicContact CZ-SD 3.44Å; F253-M258 WeakPolarHBondContact CZ-SD 3.27Å; P255-M258 PolarHBondContact O-N 2.92Å; D256-M258 PolarHBondContact O-N 3.48Å; D256-M258 VanDerWaalsContact O-N 3.14Å; M258-D260 PolarHBondContact O-N 2.97Å; M258-A261 WeakPolarHBondContact O-CB 3.25Å; M258-A261 PolarHBondContact O-N 3.49Å; M258-L262 HydrophobicContact CG-CD1 4.22Å; M258-L262 WeakPolarHBondContact O-CG 3.44Å; M258-L262 PolarHBondContact O-N 3.45Å
259K38.2Very low38.1Very low75 Ų7592.7 Ų92.733%0.32648%0.483SS..Hα-helixtrans-52.9-41.3161.5-75.2178.1-177.5169.20110.8P255 A261 L262 R263P255-K259 PolarHBondContact O-N 3.21Å; K259-A261 VanDerWaalsContact C-N 3.34Å; K259-A261 PolarHBondContact O-N 3.48Å; K259-L262 PolarHBondContact O-N 2.63Å; K259-R263 VanDerWaalsContact O-CG 3.26Å; K259-R263 WeakPolarHBondContact O-CG 3.48Å; K259-R263 PolarHBondContact O-N 3.36Å; K259-R263 VanDerWaalsContact O-N 3.14Å
260D40.3Very low38.2Very low89 Ų8991.1 Ų91.148%0.47648%0.479SS..Hα-helixtrans-65.2-35175.8-76.9-3.4000113D256 M258D256-D260 PolarHBondContact O-N 3.39Å; M258-D260 PolarHBondContact O-N 2.97Å
261A33.7Very low38.7Very low26 Ų2693.2 Ų93.222%0.21549%0.488CS..Hα-helixtrans-73.9-40.817800000112.1M258 K259 A264 F265M258-A261 WeakPolarHBondContact O-CB 3.25Å; M258-A261 PolarHBondContact O-N 3.49Å; K259-A261 VanDerWaalsContact C-N 3.34Å; K259-A261 PolarHBondContact O-N 3.48Å; A261-A264 WeakPolarHBondContact O-CB 3.21Å; A261-A264 PolarHBondContact O-N 2.9Å; A261-F265 VanDerWaalsContact O-CD2 3.3Å; A261-F265 WeakPolarHBondContact O-CD2 3.41Å
262L37.2Very low40.1Very low57 Ų5794.3 Ų94.330%0.29849%0.49SS..Hα-helixtrans-77.1-27.7-175.4-69.4162.5000112.8E237 L239 M258 K259 A264 F265E237-L262 HydrophobicContact CG-CD1 4.23Å; E237-L262 VanDerWaalsContact OE1-CD1 3.24Å; E237-L262 WeakPolarHBondContact OE1-CD1 3.38Å; E237-L262 WeakPolarHBondContact OE2-CD1 3.41Å; L239-L262 HydrophobicContact CD2-CD2 4.14Å; M258-L262 HydrophobicContact CG-CD1 4.22Å; M258-L262 WeakPolarHBondContact O-CG 3.44Å; M258-L262 PolarHBondContact O-N 3.45Å; K259-L262 PolarHBondContact O-N 2.63Å; L262-A264 PolarHBondContact O-N 2.94Å; L262-F265 PolarHBondContact O-N 3.43Å
263R45.2Very low41.6Very low123 Ų12394.7 Ų94.746%0.46449%0.486SS..THydrogen-bonded Turntrans-61.7-18.8169.1-76.4173.2-179.6-1783.9113.7K259 D303 E305K259-R263 VanDerWaalsContact O-CG 3.26Å; K259-R263 WeakPolarHBondContact O-CG 3.48Å; K259-R263 PolarHBondContact O-N 3.36Å; K259-R263 VanDerWaalsContact O-N 3.14Å; R263-D303 PolarHBondContact NH1-O 2.91Å; R263-D303 VanDerWaalsContact NH2-CB 3.26Å; R263-D303 PolarHBondContact NH2-O 2.96Å; R263-E305 IonicContact NH1-OE1 3.82Å; R263-E305 PolarHBondContact NH1-OE1 2.88Å
264A41.4Very low43.5Very low80 Ų8094 Ų9466%0.66149%0.486SS*.THydrogen-bonded Turntrans-82-8.8-179.300000114.6A261 L262A261-A264 WeakPolarHBondContact O-CB 3.21Å; A261-A264 PolarHBondContact O-N 2.9Å; L262-A264 PolarHBondContact O-N 2.94Å
265F37Very low45.3Very low140 Ų14091 Ų9161%0.61447%0.47SS*.SBendtrans-1132.6-163.8-82.2-77.5000118.4A122 A261 L262A122-F265 HydrophobicContact CB-CE1 4.06Å; A122-F265 HydrophobicContact CB-CZ 4.45Å; A261-F265 VanDerWaalsContact O-CD2 3.3Å; A261-F265 WeakPolarHBondContact O-CD2 3.41Å; L262-F265 PolarHBondContact O-N 3.43Å
266G34.7Very low47.3Very low73 Ų7390.9 Ų90.975%0.75347%0.47SS*.  trans-137.398.9-168.500000118.4
267D32.7Very low49.1Very low178 Ų17892 Ų9295%0.95247%0.473SS*.  trans-84.1104.1163.6-111.8-22.6000110.3
268M34.2Very low50.5Low167 Ų16789 Ų8982%0.82346%0.464SS*.  trans-130.7138.6166.1-82.7-158.4-81.800111.3T270M268-T270 PolarHBondContact O-N 3.47Å; M268-T270 PolarHBondContact O-OG1 2.95Å
269K37Very low51.9Low223 Ų22387.8 Ų87.897%0.9746%0.458SS*.  trans-70.879.3-177.2-72.1179177.7174.80112.3
270T42.4Very low53.6Low74 Ų7489 Ų8945%0.45446%0.464SS..  trans-92.4142.3169.719.10000111.2M268 F272 Y315M268-T270 PolarHBondContact O-N 3.47Å; M268-T270 PolarHBondContact O-OG1 2.95Å; T270-F272 PolarHBondContact O-N 3.17Å; T270-Y315 WeakPolarHBondContact OG1-CD1 3.26Å; T270-Y315 WeakPolarHBondContact OG1-CE1 3.29Å
271E50.4Low54.8Low179 Ų17991.4 Ų91.484%0.83647%0.472SS*.  trans-57.9134.3166.2-72.6-171.7164.700108.9P316E271-P316 WeakPolarHBondContact O-CD 3.15Å
272F65.4Low56.2Low92 Ų9294.5 Ų94.540%0.40448%0.484SS..  trans-130.3147.6-179.263.6-89.4000109.8T270 T274 K313 L314 Y315T270-F272 PolarHBondContact O-N 3.17Å; F272-T274 HydrophobicContact CD2-CG2 4.43Å; F272-T274 HydrophobicContact CE2-CG2 4.2Å; F272-K313 HydrophobicContact CB-CB 3.93Å; F272-K313 HydrophobicContact CB-CG 4.48Å; F272-K313 HydrophobicContact CD1-CD 3.78Å; F272-K313 HydrophobicContact CD1-CG 4.45Å; F272-K313 HydrophobicContact CD2-CB 3.73Å; F272-K313 HydrophobicContact CD2-CD 3.63Å; F272-K313 HydrophobicContact CD2-CG 3.41Å; F272-K313 VanDerWaalsContact CD2-CG 3.41Å; F272-K313 HydrophobicContact CE1-CD 3.84Å; F272-K313 HydrophobicContact CE2-CB 4.48Å; F272-K313 HydrophobicContact CE2-CD 3.68Å; F272-K313 HydrophobicContact CE2-CG 3.66Å; F272-K313 HydrophobicContact CG-CB 3.87Å; F272-K313 HydrophobicContact CG-CD 3.69Å; F272-K313 HydrophobicContact CG-CG 3.86Å; F272-K313 HydrophobicContact CZ-CD 3.79Å; F272-K313 HydrophobicContact CZ-CG 4.3Å; F272-L314 CarbonylContact C-O 3.51Å; F272-L314 WeakPolarHBondContact CA-O 3.25Å; F272-L314 WeakPolarHBondContact CB-O 3.46Å; F272-Y315 HydrophobicContact CB-CD1 3.81Å; F272-Y315 HydrophobicContact CB-CE1 3.7Å; F272-Y315 HydrophobicContact CB-CG 4.46Å; F272-Y315 HydrophobicContact CD1-CE1 4.28Å; F272-Y315 HydrophobicContact CG-CE1 4.36Å
273M68.5Low57.4Low75 Ų7598.9 Ų98.937%0.36951%0.508SS..EExtended strand (participates in β ladder)trans-98.2148.3161.4172.4176.6-79.400107.8Q277 L278 E281 L314M273-Q277 HydrophobicContact CG-CB 3.61Å; M273-Q277 HydrophobicContact SD-CB 4.2Å; M273-L278 HydrophobicContact CG-CB 4.42Å; M273-L278 WeakPolarHBondContact SD-CA 3.41Å; M273-L278 HydrophobicContact SD-CB 3.61Å; M273-L278 HydrophobicContact SD-CD1 4.08Å; M273-L278 HydrophobicContact SD-CG 4.46Å; M273-L278 PolarHBondContact SD-N 2.97Å; M273-L278 VanDerWaalsContact SD-N 3.44Å; M273-E281 HydrophobicContact CE-CG 4.46Å; M273-L314 PolarHBondContact N-O 2.84Å; M273-L314 WeakPolarHBondContact O-CA 3.46Å; M273-L314 WeakPolarHBondContact O-CB 3.35Å; M273-L314 PolarHBondContact O-N 2.87Å
274T80.5Confident58Low36 Ų3695.4 Ų95.422%0.22150%0.498CS..EExtended strand (participates in β ladder)trans-81.3147.1169.459.70000110.4F272 G276 Q277 L278 R312F272-T274 HydrophobicContact CD2-CG2 4.43Å; F272-T274 HydrophobicContact CE2-CG2 4.2Å; T274-G276 PolarHBondContact O-N 3.02Å; T274-G276 VanDerWaalsContact O-N 3.14Å; T274-Q277 WeakPolarHBondContact O-CA 3.47Å; T274-Q277 WeakPolarHBondContact O-CB 3.47Å; T274-Q277 PolarHBondContact O-N 2.95Å; T274-Q277 WeakPolarHBondContact OG1-CB 3.38Å; T274-Q277 VanDerWaalsContact OG1-CD 3.27Å; T274-Q277 VanDerWaalsContact OG1-CG 3.24Å; T274-Q277 WeakPolarHBondContact OG1-CG 3.43Å; T274-Q277 PolarHBondContact OG1-N 3.49Å; T274-Q277 PolarHBondContact OG1-OE1 3.33Å; T274-L278 PolarHBondContact O-N 3.27Å; T274-R312 CarbonylContact C-O 3.51Å; T274-R312 VanDerWaalsContact CA-O 3.31Å; T274-R312 WeakPolarHBondContact CA-O 3.43Å
275L77Confident59.6Low1 Ų192.1 Ų92.11%0.00547%0.469CS..Hα-helixtrans-53.2-37.9175.3178.456.3000111.9Q277 L278 L279 L295 V300 V302 E307 R312 L314 I320L275-Q277 VanDerWaalsContact C-N 3.33Å; L275-Q277 PolarHBondContact O-N 3.05Å; L275-L278 PolarHBondContact O-N 2.69Å; L275-L279 HydrophobicContact CD1-CD1 4.26Å; L275-L279 HydrophobicContact CD1-CD2 4.43Å; L275-L279 HydrophobicContact CD1-CG 4.03Å; L275-L279 HydrophobicContact CG-CD1 4.03Å; L275-L279 HydrophobicContact CG-CG 4.29Å; L275-L279 WeakPolarHBondContact O-CB 3.27Å; L275-L279 WeakPolarHBondContact O-CG 3.45Å; L275-L279 PolarHBondContact O-N 3.4Å; L275-L295 HydrophobicContact CD2-CD1 3.9Å; L275-L295 HydrophobicContact CD2-CD2 3.67Å; L275-L295 HydrophobicContact CD2-CG 4.39Å; L275-L295 HydrophobicContact CG-CD2 4.49Å; L275-V300 HydrophobicContact CD1-CG1 4Å; L275-V300 HydrophobicContact CD2-CG1 4.06Å; L275-V302 HydrophobicContact CD2-CG2 4.39Å; L275-E307 HydrophobicContact CD2-CB 4.29Å; L275-E307 HydrophobicContact CD2-CG 3.59Å; L275-R312 HydrophobicContact CB-CB 4.04Å; L275-R312 HydrophobicContact CD2-CB 4.31Å; L275-R312 PolarHBondContact N-O 3.1Å; L275-L314 HydrophobicContact CB-CD1 4.26Å; L275-L314 HydrophobicContact CB-CD2 4.46Å; L275-L314 HydrophobicContact CB-CG 4.29Å; L275-L314 HydrophobicContact CD1-CD1 4.05Å; L275-I320 HydrophobicContact CD1-CD1 3.67Å
276G77.3Confident61.1Low5 Ų589.7 Ų89.75%0.05247%0.47CS..Hα-helixtrans-67-26.3173.300000115.1T274 K280 I285T274-G276 PolarHBondContact O-N 3.02Å; T274-G276 VanDerWaalsContact O-N 3.14Å; G276-K280 WeakPolarHBondContact O-CB 3.23Å; G276-K280 PolarHBondContact O-N 2.92Å; G276-I285 WeakPolarHBondContact O-CD1 3.41Å
277Q75.4Confident63.1Low95 Ų9588.6 Ų88.644%0.44445%0.45SS..Hα-helixtrans-73.5-43.1170.1-79.6163.4-36.300110.7M273 T274 L275 K280 E281M273-Q277 HydrophobicContact CG-CB 3.61Å; M273-Q277 HydrophobicContact SD-CB 4.2Å; T274-Q277 WeakPolarHBondContact O-CA 3.47Å; T274-Q277 WeakPolarHBondContact O-CB 3.47Å; T274-Q277 PolarHBondContact O-N 2.95Å; T274-Q277 WeakPolarHBondContact OG1-CB 3.38Å; T274-Q277 VanDerWaalsContact OG1-CD 3.27Å; T274-Q277 VanDerWaalsContact OG1-CG 3.24Å; T274-Q277 WeakPolarHBondContact OG1-CG 3.43Å; T274-Q277 PolarHBondContact OG1-N 3.49Å; T274-Q277 PolarHBondContact OG1-OE1 3.33Å; L275-Q277 VanDerWaalsContact C-N 3.33Å; L275-Q277 PolarHBondContact O-N 3.05Å; Q277-K280 WeakPolarHBondContact O-CB 3.32Å; Q277-K280 PolarHBondContact O-N 3.37Å; Q277-E281 WeakPolarHBondContact O-CG 3.17Å; Q277-E281 PolarHBondContact O-N 2.73Å
278L71.4Confident64.6Low50 Ų5082 Ų8226%0.26242%0.424SS..Hα-helixtrans-60.3-53.7177179.268000111.1M273 T274 L275 K280 E281 I282 L314 I320M273-L278 HydrophobicContact CG-CB 4.42Å; M273-L278 WeakPolarHBondContact SD-CA 3.41Å; M273-L278 HydrophobicContact SD-CB 3.61Å; M273-L278 HydrophobicContact SD-CD1 4.08Å; M273-L278 HydrophobicContact SD-CG 4.46Å; M273-L278 PolarHBondContact SD-N 2.97Å; M273-L278 VanDerWaalsContact SD-N 3.44Å; T274-L278 PolarHBondContact O-N 3.27Å; L275-L278 PolarHBondContact O-N 2.69Å; L278-K280 PolarHBondContact O-N 3.44Å; L278-K280 VanDerWaalsContact O-N 3.09Å; L278-E281 PolarHBondContact O-N 2.87Å; L278-I282 HydrophobicContact CD1-CG2 4.34Å; L278-I282 WeakPolarHBondContact O-CG1 3.25Å; L278-I282 PolarHBondContact O-N 3.22Å; L278-L314 HydrophobicContact CB-CD1 3.79Å; L278-L314 HydrophobicContact CD2-CD1 3.52Å; L278-L314 HydrophobicContact CG-CD1 4.29Å; L278-I320 HydrophobicContact CD2-CD1 3.29Å
279L69.2Low66.4Low5 Ų575.8 Ų75.83%0.02640%0.403CS..Hα-helixtrans-54.7-31.3178.6-68.6173.6000112L275 L284 I285 A291 F294L275-L279 HydrophobicContact CD1-CD1 4.26Å; L275-L279 HydrophobicContact CD1-CD2 4.43Å; L275-L279 HydrophobicContact CD1-CG 4.03Å; L275-L279 HydrophobicContact CG-CD1 4.03Å; L275-L279 HydrophobicContact CG-CG 4.29Å; L275-L279 WeakPolarHBondContact O-CB 3.27Å; L275-L279 WeakPolarHBondContact O-CG 3.45Å; L275-L279 PolarHBondContact O-N 3.4Å; L279-L284 HydrophobicContact CD2-CB 4.3Å; L279-L284 HydrophobicContact CD2-CD1 3.81Å; L279-L284 PolarHBondContact O-N 3.11Å; L279-I285 HydrophobicContact CB-CD1 3.66Å; L279-I285 HydrophobicContact CB-CG1 3.75Å; L279-I285 HydrophobicContact CD1-CD1 4.33Å; L279-I285 PolarHBondContact O-N 3.12Å; L279-A291 HydrophobicContact CD1-CB 4.46Å; L279-F294 HydrophobicContact CD1-CD1 3.57Å; L279-F294 HydrophobicContact CD1-CE1 4Å; L279-F294 HydrophobicContact CD1-CG 4.25Å; L279-F294 HydrophobicContact CD2-CD1 4.05Å; L279-F294 HydrophobicContact CD2-CE1 3.58Å; L279-F294 HydrophobicContact CD2-CZ 4.11Å; L279-F294 HydrophobicContact CG-CD1 4.43Å; L279-F294 HydrophobicContact CG-CE1 4.42Å
280K74.2Confident68.4Low102 Ų10268.9 Ų68.944%0.44338%0.375SS..Hα-helixtrans-74.6-44.9175.7-171.5-165.1174.1-159.40112.1G276 Q277 L278 I282 N283 I285G276-K280 WeakPolarHBondContact O-CB 3.23Å; G276-K280 PolarHBondContact O-N 2.92Å; Q277-K280 WeakPolarHBondContact O-CB 3.32Å; Q277-K280 PolarHBondContact O-N 3.37Å; L278-K280 PolarHBondContact O-N 3.44Å; L278-K280 VanDerWaalsContact O-N 3.09Å; K280-I282 VanDerWaalsContact C-N 3.27Å; K280-I282 PolarHBondContact O-N 3.44Å; K280-N283 PolarHBondContact O-N 3.38Å; K280-N283 VanDerWaalsContact O-N 3.12Å; K280-I285 WeakPolarHBondContact CA-O 3.2Å; K280-I285 HydrophobicContact CB-CG1 4.08Å
281E65.7Low70Confident139 Ų13965.5 Ų65.565%0.6535%0.354SS*.Hα-helixtrans-62.8-32.7178.5-74.4-6315200112.5M273 Q277 L278 N283M273-E281 HydrophobicContact CE-CG 4.46Å; Q277-E281 WeakPolarHBondContact O-CG 3.17Å; Q277-E281 PolarHBondContact O-N 2.73Å; L278-E281 PolarHBondContact O-N 2.87Å; E281-N283 VanDerWaalsContact C-N 3.31Å
282I63.3Low71.2Confident90 Ų9062.7 Ų62.746%0.46234%0.339SS..THydrogen-bonded Turntrans-90.413175.867.2178000113.7L278 K280 L284L278-I282 HydrophobicContact CD1-CG2 4.34Å; L278-I282 WeakPolarHBondContact O-CG1 3.25Å; L278-I282 PolarHBondContact O-N 3.22Å; K280-I282 VanDerWaalsContact C-N 3.27Å; K280-I282 PolarHBondContact O-N 3.44Å; I282-L284 VanDerWaalsContact C-N 3.26Å; I282-L284 HydrophobicContact CD1-CD1 3.45Å; I282-L284 VanDerWaalsContact CD1-CD1 3.45Å; I282-L284 HydrophobicContact CD1-CG 3.98Å; I282-L284 HydrophobicContact CG1-CB 4.35Å; I282-L284 HydrophobicContact CG1-CD1 3.94Å; I282-L284 HydrophobicContact CG1-CG 3.9Å; I282-L284 PolarHBondContact O-N 3.43Å
283N62.4Low71.8Confident149 Ų14966.5 Ų66.580%0.79735%0.351SS*.THydrogen-bonded Turntrans60.321.5177.3-59.2-53.6000116.4K280 E281K280-N283 PolarHBondContact O-N 3.38Å; K280-N283 VanDerWaalsContact O-N 3.12Å; E281-N283 VanDerWaalsContact C-N 3.31Å
284L58.2Low72.1Confident50 Ų5063.9 Ų63.926%0.26234%0.337SS..SBendtrans-80.2-23.3172.7-69.2178.9000112.7L279 I282 F294L279-L284 HydrophobicContact CD2-CB 4.3Å; L279-L284 HydrophobicContact CD2-CD1 3.81Å; L279-L284 PolarHBondContact O-N 3.11Å; I282-L284 VanDerWaalsContact C-N 3.26Å; I282-L284 HydrophobicContact CD1-CD1 3.45Å; I282-L284 VanDerWaalsContact CD1-CD1 3.45Å; I282-L284 HydrophobicContact CD1-CG 3.98Å; I282-L284 HydrophobicContact CG1-CB 4.35Å; I282-L284 HydrophobicContact CG1-CD1 3.94Å; I282-L284 HydrophobicContact CG1-CG 3.9Å; I282-L284 PolarHBondContact O-N 3.43Å; L284-F294 HydrophobicContact CB-CE2 3.81Å; L284-F294 HydrophobicContact CB-CZ 3.97Å; L284-F294 HydrophobicContact CD1-CE2 4.47Å; L284-F294 HydrophobicContact CD1-CZ 3.84Å; L284-F294 HydrophobicContact CG-CZ 4.36Å
285I75.5Confident71.8Confident12 Ų1262.9 Ų62.96%0.06233%0.33CS..  trans-137.1148.3171.164.6-178.4000111.2G276 L279 K280 S287 Q290 A291 F294G276-I285 WeakPolarHBondContact O-CD1 3.41Å; L279-I285 HydrophobicContact CB-CD1 3.66Å; L279-I285 HydrophobicContact CB-CG1 3.75Å; L279-I285 HydrophobicContact CD1-CD1 4.33Å; L279-I285 PolarHBondContact O-N 3.12Å; K280-I285 WeakPolarHBondContact CA-O 3.2Å; K280-I285 HydrophobicContact CB-CG1 4.08Å; I285-S287 WeakPolarHBondContact CD1-O 3.28Å; I285-Q290 HydrophobicContact CB-CB 3.99Å; I285-Q290 HydrophobicContact CG2-CB 4.15Å; I285-A291 HydrophobicContact CD1-CB 3.75Å; I285-F294 HydrophobicContact CG2-CB 3.63Å; I285-F294 HydrophobicContact CG2-CD2 3.63Å; I285-F294 HydrophobicContact CG2-CG 3.74Å
286S68.7Low71.7Confident88 Ų8866.8 Ų66.862%0.61536%0.363SS*.SBendtrans-81.7-21-18067.90000113.7Q290S286-Q290 PolarHBondContact OG-NE2 2.86Å; S286-Q290 VanDerWaalsContact OG-NE2 3.14Å; S286-Q290 PolarHBondContact OG-OE1 3.15Å
287S75.8Confident71.2Confident50 Ų5072.3 Ų72.335%0.3539%0.388SS..SBendtrans-150.2151176.771.40000111.4I285 G289 Q290I285-S287 WeakPolarHBondContact CD1-O 3.28Å; S287-G289 PolarHBondContact O-N 3.47Å; S287-Q290 WeakPolarHBondContact O-CB 3.3Å; S287-Q290 PolarHBondContact O-N 3.28Å
288G64Low70.4Confident39 Ų3968.3 Ų68.340%0.40237%0.369SS..G310 helixtrans-60.1-17.1175.900000114Q290 A291G288-Q290 VanDerWaalsContact C-N 3.28Å; G288-Q290 PolarHBondContact O-N 2.76Å; G288-A291 WeakPolarHBondContact O-CB 3.38Å; G288-A291 PolarHBondContact O-N 3.26Å
289G72.9Confident70Confident37 Ų3767 Ų6738%0.38136%0.363SS..G310 helixtrans-68-25.5171.900000113.8S287S287-G289 PolarHBondContact O-N 3.47Å
290Q78.9Confident69.7Low79 Ų7967 Ų6737%0.36936%0.363SS..G310 helixtrans-80.4-13.9178.9-73.9176-24.300113.6I285 S286 S287 G288 K292 W293 F294I285-Q290 HydrophobicContact CB-CB 3.99Å; I285-Q290 HydrophobicContact CG2-CB 4.15Å; S286-Q290 PolarHBondContact OG-NE2 2.86Å; S286-Q290 VanDerWaalsContact OG-NE2 3.14Å; S286-Q290 PolarHBondContact OG-OE1 3.15Å; S287-Q290 WeakPolarHBondContact O-CB 3.3Å; S287-Q290 PolarHBondContact O-N 3.28Å; G288-Q290 VanDerWaalsContact C-N 3.28Å; G288-Q290 PolarHBondContact O-N 2.76Å; Q290-K292 PolarHBondContact O-N 2.89Å; Q290-K292 VanDerWaalsContact O-N 3.08Å; Q290-W293 PolarHBondContact O-N 2.87Å; Q290-F294 PolarHBondContact O-N 2.92Å
291A75.1Confident69Low3 Ų363.8 Ų63.83%0.02535%0.349CS..Hα-helixtrans-56.3-32.2-17800000113.1L279 I285 G288 L295L279-A291 HydrophobicContact CD1-CB 4.46Å; I285-A291 HydrophobicContact CD1-CB 3.75Å; G288-A291 WeakPolarHBondContact O-CB 3.38Å; G288-A291 PolarHBondContact O-N 3.26Å; A291-L295 WeakPolarHBondContact O-CB 3.24Å; A291-L295 WeakPolarHBondContact O-CG 3.25Å; A291-L295 PolarHBondContact O-N 3.3Å
292K76.9Confident68.9Low119 Ų11957.2 Ų57.252%0.51732%0.319SS..Hα-helixtrans-65.6-40.4176.6-175-176.5173.2-172.30112.3Q290 A296 R310Q290-K292 PolarHBondContact O-N 2.89Å; Q290-K292 VanDerWaalsContact O-N 3.08Å; K292-A296 WeakPolarHBondContact O-CB 3.5Å; K292-A296 PolarHBondContact O-N 3.37Å; K292-R310 HydrophobicContact CB-CB 4.35Å; K292-R310 HydrophobicContact CB-CG 4.16Å
293W77.6Confident68.7Low173 Ų17354.8 Ų54.866%0.65531%0.306SS*.Hα-helixtrans-72.9-43.6179.2-57.9106.5000109.7Q290 L295 A296 E297Q290-W293 PolarHBondContact O-N 2.87Å; W293-L295 PolarHBondContact O-N 3.47Å; W293-A296 WeakPolarHBondContact O-CB 3.47Å; W293-A296 PolarHBondContact O-N 2.92Å; W293-E297 PolarHBondContact O-N 2.9Å; W293-E297 VanDerWaalsContact O-N 3.14Å
294F73.7Confident68Low19 Ų1950.2 Ų50.28%0.08330%0.295CS..Hα-helixtrans-55.8-52.5173.2-170.7-88.8000111.8L279 L284 I285 Q290 A296 E297 E298 V300L279-F294 HydrophobicContact CD1-CD1 3.57Å; L279-F294 HydrophobicContact CD1-CE1 4Å; L279-F294 HydrophobicContact CD1-CG 4.25Å; L279-F294 HydrophobicContact CD2-CD1 4.05Å; L279-F294 HydrophobicContact CD2-CE1 3.58Å; L279-F294 HydrophobicContact CD2-CZ 4.11Å; L279-F294 HydrophobicContact CG-CD1 4.43Å; L279-F294 HydrophobicContact CG-CE1 4.42Å; L284-F294 HydrophobicContact CB-CE2 3.81Å; L284-F294 HydrophobicContact CB-CZ 3.97Å; L284-F294 HydrophobicContact CD1-CE2 4.47Å; L284-F294 HydrophobicContact CD1-CZ 3.84Å; L284-F294 HydrophobicContact CG-CZ 4.36Å; I285-F294 HydrophobicContact CG2-CB 3.63Å; I285-F294 HydrophobicContact CG2-CD2 3.63Å; I285-F294 HydrophobicContact CG2-CG 3.74Å; Q290-F294 PolarHBondContact O-N 2.92Å; F294-A296 PolarHBondContact O-N 2.59Å; F294-A296 VanDerWaalsContact O-N 3.13Å; F294-E297 PolarHBondContact O-N 3.17Å; F294-E298 HydrophobicContact CD1-CB 3.9Å; F294-E298 HydrophobicContact CD1-CG 4.25Å; F294-E298 HydrophobicContact CD2-CG 3.98Å; F294-E298 HydrophobicContact CE1-CB 3.58Å; F294-E298 HydrophobicContact CE1-CG 3.94Å; F294-E298 HydrophobicContact CE2-CB 4.26Å; F294-E298 HydrophobicContact CE2-CG 3.66Å; F294-E298 HydrophobicContact CG-CB 4.36Å; F294-E298 HydrophobicContact CG-CG 4.27Å; F294-E298 HydrophobicContact CZ-CB 3.77Å; F294-E298 HydrophobicContact CZ-CG 3.62Å; F294-E298 WeakPolarHBondContact O-CA 3.5Å; F294-E298 VanDerWaalsContact O-CB 3.27Å; F294-E298 WeakPolarHBondContact O-CB 3.3Å; F294-E298 PolarHBondContact O-N 3.22Å; F294-V300 HydrophobicContact CD1-CG2 4.28Å; F294-V300 HydrophobicContact CE1-CG2 3.76Å
295L74.1Confident67.6Low15 Ų1551.8 Ų51.88%0.07930%0.301CS..Hα-helixtrans-70-8.6178.6-62.4170.7000114.3L275 A291 W293 V300L275-L295 HydrophobicContact CD2-CD1 3.9Å; L275-L295 HydrophobicContact CD2-CD2 3.67Å; L275-L295 HydrophobicContact CD2-CG 4.39Å; L275-L295 HydrophobicContact CG-CD2 4.49Å; A291-L295 WeakPolarHBondContact O-CB 3.24Å; A291-L295 WeakPolarHBondContact O-CG 3.25Å; A291-L295 PolarHBondContact O-N 3.3Å; W293-L295 PolarHBondContact O-N 3.47Å; L295-V300 HydrophobicContact CD2-CB 3.73Å; L295-V300 HydrophobicContact CD2-CG1 4.49Å; L295-V300 HydrophobicContact CD2-CG2 3.51Å
296A74.6Confident66.8Low83 Ų8356 Ų5669%0.68632%0.323SS*.Hα-helixtrans-89.5-20.8171.300000112.2K292 W293 F294K292-A296 WeakPolarHBondContact O-CB 3.5Å; K292-A296 PolarHBondContact O-N 3.37Å; W293-A296 WeakPolarHBondContact O-CB 3.47Å; W293-A296 PolarHBondContact O-N 2.92Å; F294-A296 PolarHBondContact O-N 2.59Å; F294-A296 VanDerWaalsContact O-N 3.13Å
297E66.9Low66.9Low122 Ų12251.9 Ų51.957%0.5729%0.294SS*.Hα-helixtrans-108.1-28.5-177.2-68.7175.1176.200112.4W293 F294W293-E297 PolarHBondContact O-N 2.9Å; W293-E297 VanDerWaalsContact O-N 3.14Å; F294-E297 PolarHBondContact O-N 3.17Å
298E60.4Low66.6Low10 Ų1055 Ų555%0.04731%0.307CS..SBendtrans-119135.9-172.6-63.5-64167.200111.3F294 V300 N657 K658F294-E298 HydrophobicContact CD1-CB 3.9Å; F294-E298 HydrophobicContact CD1-CG 4.25Å; F294-E298 HydrophobicContact CD2-CG 3.98Å; F294-E298 HydrophobicContact CE1-CB 3.58Å; F294-E298 HydrophobicContact CE1-CG 3.94Å; F294-E298 HydrophobicContact CE2-CB 4.26Å; F294-E298 HydrophobicContact CE2-CG 3.66Å; F294-E298 HydrophobicContact CG-CB 4.36Å; F294-E298 HydrophobicContact CG-CG 4.27Å; F294-E298 HydrophobicContact CZ-CB 3.77Å; F294-E298 HydrophobicContact CZ-CG 3.62Å; F294-E298 WeakPolarHBondContact O-CA 3.5Å; F294-E298 VanDerWaalsContact O-CB 3.27Å; F294-E298 WeakPolarHBondContact O-CB 3.3Å; F294-E298 PolarHBondContact O-N 3.22Å; E298-V300 PolarHBondContact O-N 3.32Å; E298-N657 WeakPolarHBondContact OE1-CB 3.25Å; E298-K658 WeakPolarHBondContact OE1-CA 3.47Å; E298-K658 WeakPolarHBondContact OE1-CG 3.44Å; E298-K658 PolarHBondContact OE1-N 2.91Å; E298-K658 VanDerWaalsContact OE1-N 3.16Å; E298-K658 WeakPolarHBondContact OE2-CA 3.46Å
299T62.1Low67Low22 Ų2258.8 Ų58.814%0.13531%0.309CS..  trans-88.2109.4176.4-50.10000109.6F301 L306 K625T299-F301 HydrophobicContact CG2-CD2 4.33Å; T299-F301 HydrophobicContact CG2-CE2 3.7Å; T299-F301 HydrophobicContact CG2-CZ 3.83Å; T299-L306 HydrophobicContact CG2-CD1 3.16Å; T299-K625 WeakPolarHBondContact OG1-CE 3.34Å
300V61.8Low66.4Low5 Ų565 Ų653%0.0332%0.321CS..EExtended strand (participates in β ladder)trans-105.4122.9172.7-178.70000107.6L275 F294 L295 E298 V302 E307 I320L275-V300 HydrophobicContact CD1-CG1 4Å; L275-V300 HydrophobicContact CD2-CG1 4.06Å; F294-V300 HydrophobicContact CD1-CG2 4.28Å; F294-V300 HydrophobicContact CE1-CG2 3.76Å; L295-V300 HydrophobicContact CD2-CB 3.73Å; L295-V300 HydrophobicContact CD2-CG1 4.49Å; L295-V300 HydrophobicContact CD2-CG2 3.51Å; E298-V300 PolarHBondContact O-N 3.32Å; V300-V302 HydrophobicContact CG1-CG2 4.44Å; V300-E307 WeakPolarHBondContact O-CB 3.27Å; V300-E307 PolarHBondContact O-N 3.32Å; V300-I320 HydrophobicContact CG1-CG1 4.49Å; V300-I320 HydrophobicContact CG1-CG2 3.61Å
301F60Low66Low36 Ų3663.2 Ų63.216%0.15832%0.324CS..EExtended strand (participates in β ladder)trans-87.3142.5165.9-65.8-85.5000109.4T299 E305 L306 I320 G629T299-F301 HydrophobicContact CG2-CD2 4.33Å; T299-F301 HydrophobicContact CG2-CE2 3.7Å; T299-F301 HydrophobicContact CG2-CZ 3.83Å; F301-E305 CarbonylContact C-O 3.54Å; F301-E305 VanDerWaalsContact CA-O 3.27Å; F301-E305 WeakPolarHBondContact CA-O 3.49Å; F301-L306 HydrophobicContact CE1-CB 4.28Å; F301-I320 VanDerWaalsContact O-CA 3.23Å; F301-I320 WeakPolarHBondContact O-CA 3.23Å; F301-I320 WeakPolarHBondContact O-CG1 3.41Å; F301-G629 WeakPolarHBondContact CE2-O 3.23Å; F301-G629 WeakPolarHBondContact CZ-O 3.39Å
302V63.1Low66.1Low1 Ų165.9 Ų65.91%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-123.6109.6165.3-1790000106.5L275 V300 E305 E307 R312 L314 M318 M319 I320L275-V302 HydrophobicContact CD2-CG2 4.39Å; V300-V302 HydrophobicContact CG1-CG2 4.44Å; V302-E305 PolarHBondContact N-O 2.89Å; V302-E305 PolarHBondContact O-N 2.8Å; V302-E307 HydrophobicContact CB-CB 4.3Å; V302-E307 HydrophobicContact CG2-CB 3.69Å; V302-E307 HydrophobicContact CG2-CG 3.88Å; V302-R312 HydrophobicContact CG2-CG 4.38Å; V302-L314 HydrophobicContact CG1-CD2 3.85Å; V302-L314 HydrophobicContact CG2-CD2 3.94Å; V302-M318 HydrophobicContact CG1-CB 4.13Å; V302-M318 HydrophobicContact CG1-CE 3.67Å; V302-M318 HydrophobicContact CG1-SD 4.22Å; V302-M319 CarbonylContact C-O 3.59Å; V302-M319 WeakPolarHBondContact CA-O 3.42Å; V302-I320 HydrophobicContact CG2-CD1 4.5Å; V302-I320 HydrophobicContact CG2-CG1 4.12Å
303D59.1Low66.3Low38 Ų3864.4 Ų64.420%0.20333%0.327CS..THydrogen-bonded Turntrans56.245.2-175.5-58.3-47.4000114.6R263 E305 M318 M319R263-D303 PolarHBondContact NH1-O 2.91Å; R263-D303 VanDerWaalsContact NH2-CB 3.26Å; R263-D303 PolarHBondContact NH2-O 2.96Å; D303-E305 PolarHBondContact O-N 2.9Å; D303-M318 WeakPolarHBondContact OD1-CA 3.21Å; D303-M318 WeakPolarHBondContact OD2-CB 3.43Å; D303-M318 WeakPolarHBondContact OD2-CE 3.4Å; D303-M318 VanDerWaalsContact OD2-CG 3.25Å; D303-M318 WeakPolarHBondContact OD2-CG 3.3Å; D303-M319 PolarHBondContact N-O 3.17Å; D303-M319 PolarHBondContact OD1-N 3.22Å
304G47.8Very low65.6Low54 Ų5457 Ų5756%0.55730%0.3SS*.THydrogen-bonded Turntrans78.2-5.5-179.400000114.6
305E50Low65.3Low82 Ų8259.7 Ų59.738%0.38331%0.31SS..EExtended strand (participates in β ladder)trans-99.8133.9176.7-71.4-178.5-148.500111.9R263 F301 V302 D303 E307R263-E305 IonicContact NH1-OE1 3.82Å; R263-E305 PolarHBondContact NH1-OE1 2.88Å; F301-E305 CarbonylContact C-O 3.54Å; F301-E305 VanDerWaalsContact CA-O 3.27Å; F301-E305 WeakPolarHBondContact CA-O 3.49Å; V302-E305 PolarHBondContact N-O 2.89Å; V302-E305 PolarHBondContact O-N 2.8Å; D303-E305 PolarHBondContact O-N 2.9Å; E305-E307 PolarHBondContact O-N 3.39Å
306L58.6Low63.8Low100 Ų10064.4 Ų64.452%0.52434%0.342SS..EExtended strand (participates in β ladder)trans-58122.4173.3176.360000110.7T299 F301T299-L306 HydrophobicContact CG2-CD1 3.16Å; F301-L306 HydrophobicContact CE1-CB 4.28Å
307E71.8Confident62.1Low3 Ų364 Ų641%0.01435%0.345CS..EExtended strand (participates in β ladder)trans-104.6118.7-179.8-172.356.1-101.700111.8L275 V300 V302 E305 R309 R312L275-E307 HydrophobicContact CD2-CB 4.29Å; L275-E307 HydrophobicContact CD2-CG 3.59Å; V300-E307 WeakPolarHBondContact O-CB 3.27Å; V300-E307 PolarHBondContact O-N 3.32Å; V302-E307 HydrophobicContact CB-CB 4.3Å; V302-E307 HydrophobicContact CG2-CB 3.69Å; V302-E307 HydrophobicContact CG2-CG 3.88Å; E305-E307 PolarHBondContact O-N 3.39Å; E307-R309 WeakPolarHBondContact OE1-CA 3.45Å; E307-R309 WeakPolarHBondContact OE1-CB 3.19Å; E307-R309 VanDerWaalsContact OE1-CG 3.26Å; E307-R309 WeakPolarHBondContact OE1-CG 3.47Å; E307-R309 IonicContact OE1-CZ 2.76Å; E307-R309 PolarHBondContact OE1-N 2.76Å; E307-R309 IonicContact OE1-NE 2.69Å; E307-R309 PolarHBondContact OE1-NE 3.1Å; E307-R309 IonicContact OE1-NH2 2.83Å; E307-R309 IonicContact OE2-CZ 3.57Å; E307-R309 IonicContact OE2-NE 3.65Å; E307-R309 PolarHBondContact OE2-NE 2.87Å; E307-R309 IonicContact OE2-NH2 3.26Å; E307-R309 PolarHBondContact OE2-NH2 3.01Å; E307-R312 HydrophobicContact CG-CB 3.87Å; E307-R312 HydrophobicContact CG-CG 3.96Å; E307-R312 WeakPolarHBondContact OE2-CD 3.43Å; E307-R312 WeakPolarHBondContact OE2-CG 3.34Å; E307-R312 IonicContact OE2-CZ 2.74Å; E307-R312 IonicContact OE2-NE 3.46Å; E307-R312 PolarHBondContact OE2-NE 3.36Å
308N70.3Confident61.3Low115 Ų11560.4 Ų60.462%0.61533%0.329SS*.  trans-125.32.9178.661.611.8000112.8
309R71.4Confident60.3Low118 Ų11862.4 Ų62.445%0.44534%0.339SS..  trans-87.9121.7-174.9-57.7169.9-71.4-159.9-10.1110.7E307 G311 R312E307-R309 WeakPolarHBondContact OE1-CA 3.45Å; E307-R309 WeakPolarHBondContact OE1-CB 3.19Å; E307-R309 VanDerWaalsContact OE1-CG 3.26Å; E307-R309 WeakPolarHBondContact OE1-CG 3.47Å; E307-R309 IonicContact OE1-CZ 2.76Å; E307-R309 PolarHBondContact OE1-N 2.76Å; E307-R309 IonicContact OE1-NE 2.69Å; E307-R309 PolarHBondContact OE1-NE 3.1Å; E307-R309 IonicContact OE1-NH2 2.83Å; E307-R309 IonicContact OE2-CZ 3.57Å; E307-R309 IonicContact OE2-NE 3.65Å; E307-R309 PolarHBondContact OE2-NE 2.87Å; E307-R309 IonicContact OE2-NH2 3.26Å; E307-R309 PolarHBondContact OE2-NH2 3.01Å; R309-G311 PolarHBondContact O-N 3.48Å; R309-R312 VanDerWaalsContact NH2-NH1 3.2Å; R309-R312 PolarHBondContact O-N 3.28Å
310R61.1Low59.5Low167 Ų16764.5 Ų64.563%0.6335%0.349SS*.THydrogen-bonded Turntrans-60.8112167.9-173.2-171.8-177.5-177.6-1.4109.4K292K292-R310 HydrophobicContact CB-CB 4.35Å; K292-R310 HydrophobicContact CB-CG 4.16Å
311G69.3Low58.9Low43 Ų4366.9 Ų66.944%0.44336%0.36SS..THydrogen-bonded Turntrans99.219.5175.700000115.5R309 K313R309-G311 PolarHBondContact O-N 3.48Å; G311-K313 PolarHBondContact O-N 2.96Å
312R77.3Confident58.4Low58 Ų5867 Ų6722%0.21936%0.361CS..PPolyproline II helixtrans-47.9125.8170177.760.3158.8178.1-5.6110.3T274 L275 V302 E307 R309 L314 M318T274-R312 CarbonylContact C-O 3.51Å; T274-R312 VanDerWaalsContact CA-O 3.31Å; T274-R312 WeakPolarHBondContact CA-O 3.43Å; L275-R312 HydrophobicContact CB-CB 4.04Å; L275-R312 HydrophobicContact CD2-CB 4.31Å; L275-R312 PolarHBondContact N-O 3.1Å; V302-R312 HydrophobicContact CG2-CG 4.38Å; E307-R312 HydrophobicContact CG-CB 3.87Å; E307-R312 HydrophobicContact CG-CG 3.96Å; E307-R312 WeakPolarHBondContact OE2-CD 3.43Å; E307-R312 WeakPolarHBondContact OE2-CG 3.34Å; E307-R312 IonicContact OE2-CZ 2.74Å; E307-R312 IonicContact OE2-NE 3.46Å; E307-R312 PolarHBondContact OE2-NE 3.36Å; R309-R312 VanDerWaalsContact NH2-NH1 3.2Å; R309-R312 PolarHBondContact O-N 3.28Å; R312-L314 HydrophobicContact CG-CD2 4.25Å; R312-M318 VanDerWaalsContact NH2-CE 3.27Å
313K80.5Confident58Low88 Ų8867.8 Ų67.838%0.38337%0.367SS..EExtended strand (participates in β ladder)trans-80.9124.3171.6-61.9-174.7176.4-176.60108.1F272 G311 Y315F272-K313 HydrophobicContact CB-CB 3.93Å; F272-K313 HydrophobicContact CB-CG 4.48Å; F272-K313 HydrophobicContact CD1-CD 3.78Å; F272-K313 HydrophobicContact CD1-CG 4.45Å; F272-K313 HydrophobicContact CD2-CB 3.73Å; F272-K313 HydrophobicContact CD2-CD 3.63Å; F272-K313 HydrophobicContact CD2-CG 3.41Å; F272-K313 VanDerWaalsContact CD2-CG 3.41Å; F272-K313 HydrophobicContact CE1-CD 3.84Å; F272-K313 HydrophobicContact CE2-CB 4.48Å; F272-K313 HydrophobicContact CE2-CD 3.68Å; F272-K313 HydrophobicContact CE2-CG 3.66Å; F272-K313 HydrophobicContact CG-CB 3.87Å; F272-K313 HydrophobicContact CG-CD 3.69Å; F272-K313 HydrophobicContact CG-CG 3.86Å; F272-K313 HydrophobicContact CZ-CD 3.79Å; F272-K313 HydrophobicContact CZ-CG 4.3Å; G311-K313 PolarHBondContact O-N 2.96Å; K313-Y315 HydrophobicContact CB-CD2 4.49Å; K313-Y315 HydrophobicContact CB-CE2 3.76Å; K313-Y315 WeakPolarHBondContact CD-OH 3.43Å
314L64.3Low59Low17 Ų1767.9 Ų67.99%0.08937%0.366CS..EExtended strand (participates in β ladder)trans-97.7119.8172.4-57.5177.9000107.4F272 M273 L275 L278 V302 R312 I320F272-L314 CarbonylContact C-O 3.51Å; F272-L314 WeakPolarHBondContact CA-O 3.25Å; F272-L314 WeakPolarHBondContact CB-O 3.46Å; M273-L314 PolarHBondContact N-O 2.84Å; M273-L314 WeakPolarHBondContact O-CA 3.46Å; M273-L314 WeakPolarHBondContact O-CB 3.35Å; M273-L314 PolarHBondContact O-N 2.87Å; L275-L314 HydrophobicContact CB-CD1 4.26Å; L275-L314 HydrophobicContact CB-CD2 4.46Å; L275-L314 HydrophobicContact CB-CG 4.29Å; L275-L314 HydrophobicContact CD1-CD1 4.05Å; L278-L314 HydrophobicContact CB-CD1 3.79Å; L278-L314 HydrophobicContact CD2-CD1 3.52Å; L278-L314 HydrophobicContact CG-CD1 4.29Å; V302-L314 HydrophobicContact CG1-CD2 3.85Å; V302-L314 HydrophobicContact CG2-CD2 3.94Å; R312-L314 HydrophobicContact CG-CD2 4.25Å; L314-I320 HydrophobicContact CD1-CD1 3.79Å; L314-I320 HydrophobicContact CD2-CD1 4.05Å
315Y66.2Low61Low77 Ų7765.3 Ų65.330%0.30234%0.34SS..PPolyproline II helixtrans-99.3154.3175.4-62.3-81.4000109.2T270 F272 K313 G317 M318T270-Y315 WeakPolarHBondContact OG1-CD1 3.26Å; T270-Y315 WeakPolarHBondContact OG1-CE1 3.29Å; F272-Y315 HydrophobicContact CB-CD1 3.81Å; F272-Y315 HydrophobicContact CB-CE1 3.7Å; F272-Y315 HydrophobicContact CB-CG 4.46Å; F272-Y315 HydrophobicContact CD1-CE1 4.28Å; F272-Y315 HydrophobicContact CG-CE1 4.36Å; K313-Y315 HydrophobicContact CB-CD2 4.49Å; K313-Y315 HydrophobicContact CB-CE2 3.76Å; K313-Y315 WeakPolarHBondContact CD-OH 3.43Å; Y315-G317 PolarHBondContact O-N 3.39Å; Y315-M318 HydrophobicContact CD2-SD 3.72Å; Y315-M318 HydrophobicContact CG-SD 4.33Å; Y315-M318 PolarHBondContact N-SD 3.35Å; Y315-M318 WeakPolarHBondContact O-CB 3.28Å; Y315-M318 WeakPolarHBondContact O-CG 3.4Å; Y315-M318 PolarHBondContact O-N 2.9Å
316P44.1Very low62.9Low113 Ų11363.5 Ų63.573%0.73433%0.333SS*.THydrogen-bonded Turntrans-51.3126.5173.4-26.534.8000111.1E271E271-P316 WeakPolarHBondContact O-CD 3.15Å
317G38.9Very low64.7Low74 Ų7460.6 Ų60.676%0.76332%0.315SS*.THydrogen-bonded Turntrans100.5-9.9-17700000115.5Y315Y315-G317 PolarHBondContact O-N 3.39Å
318M50.1Low65.9Low47 Ų4760.4 Ų60.423%0.23232%0.315CS..  trans-76.2136.9175.3-59.7-174.899.500112.1V302 D303 R312 Y315V302-M318 HydrophobicContact CG1-CB 4.13Å; V302-M318 HydrophobicContact CG1-CE 3.67Å; V302-M318 HydrophobicContact CG1-SD 4.22Å; D303-M318 WeakPolarHBondContact OD1-CA 3.21Å; D303-M318 WeakPolarHBondContact OD2-CB 3.43Å; D303-M318 WeakPolarHBondContact OD2-CE 3.4Å; D303-M318 VanDerWaalsContact OD2-CG 3.25Å; D303-M318 WeakPolarHBondContact OD2-CG 3.3Å; R312-M318 VanDerWaalsContact NH2-CE 3.27Å; Y315-M318 HydrophobicContact CD2-SD 3.72Å; Y315-M318 HydrophobicContact CG-SD 4.33Å; Y315-M318 PolarHBondContact N-SD 3.35Å; Y315-M318 WeakPolarHBondContact O-CB 3.28Å; Y315-M318 WeakPolarHBondContact O-CG 3.4Å; Y315-M318 PolarHBondContact O-N 2.9Å
319M38.6Very low67.2Low53 Ų5357.2 Ų57.226%0.26130%0.296SS..  trans-105.4134-168.7-66.1-91.7-7000112.4V302 D303 E321 T400V302-M319 CarbonylContact C-O 3.59Å; V302-M319 WeakPolarHBondContact CA-O 3.42Å; D303-M319 PolarHBondContact N-O 3.17Å; D303-M319 PolarHBondContact OD1-N 3.22Å; M319-E321 WeakPolarHBondContact CE-OE1 3.35Å; M319-T400 HydrophobicContact CE-CG2 3.34Å; M319-T400 VanDerWaalsContact CE-OG1 3.23Å; M319-T400 WeakPolarHBondContact CE-OG1 3.16Å; M319-T400 HydrophobicContact SD-CG2 3.25Å; M319-T400 WeakPolarHBondContact SD-CG2 3.48Å
320I45.4Very low68.4Low66 Ų6651.8 Ų51.834%0.33828%0.276SS..  trans-124.6124.2175.6-61.9171.2000109.7L275 L278 V300 F301 V302 L314L275-I320 HydrophobicContact CD1-CD1 3.67Å; L278-I320 HydrophobicContact CD2-CD1 3.29Å; V300-I320 HydrophobicContact CG1-CG1 4.49Å; V300-I320 HydrophobicContact CG1-CG2 3.61Å; F301-I320 VanDerWaalsContact O-CA 3.23Å; F301-I320 WeakPolarHBondContact O-CA 3.23Å; F301-I320 WeakPolarHBondContact O-CG1 3.41Å; V302-I320 HydrophobicContact CG2-CD1 4.5Å; V302-I320 HydrophobicContact CG2-CG1 4.12Å; L314-I320 HydrophobicContact CD1-CD1 3.79Å; L314-I320 HydrophobicContact CD2-CD1 4.05Å
321E49.1Very low70.1Confident55 Ų5549.7 Ų49.726%0.25727%0.268SS..  trans-131130.6-162.7-47.8-167.5161.700113.7M319 G399M319-E321 WeakPolarHBondContact CE-OE1 3.35Å; E321-G399 VanDerWaalsContact CG-CA 3.49Å; E321-G399 VanDerWaalsContact OE1-CA 3.3Å; E321-G399 WeakPolarHBondContact OE1-CA 3.1Å
322I50.5Low71.4Confident37 Ų3748.4 Ų48.419%0.1925%0.251CS..  trans-139.3123.9163.2-61.6176000106
323P54.5Low72.3Confident19 Ų1945.6 Ų45.612%0.12324%0.24CC..  trans-73.4135.9-17928.3-34.2000112.1Q397 R398 E630P323-Q397 CarbonylContact C-O 3.48Å; P323-Q397 WeakPolarHBondContact CA-O 3.31Å; P323-Q397 VanDerWaalsContact CB-O 3.32Å; P323-Q397 WeakPolarHBondContact CB-O 3.35Å; P323-R398 HydrophobicContact CB-CG 4.19Å; P323-E630 HydrophobicContact CG-CB 3.86Å; P323-E630 HydrophobicContact CG-CG 3.9Å
324E79.7Confident72.9Confident40 Ų4043.5 Ų43.519%0.18723%0.23CC..EExtended strand (participates in β ladder)trans-138.6135.3-173.3-66.5-179.6176.900110N326 R346 I396 Q397E324-N326 PolarHBondContact O-N 3.44Å; E324-N326 PolarHBondContact O-OD1 3.33Å; E324-R346 IonicContact OE1-CZ 3.32Å; E324-R346 VanDerWaalsContact OE1-CZ 3.26Å; E324-R346 IonicContact OE1-NE 3.05Å; E324-R346 PolarHBondContact OE1-NE 2.64Å; E324-R346 IonicContact OE1-NH2 2.83Å; E324-R346 PolarHBondContact OE1-NH2 2.87Å; E324-I396 CarbonylContact O-C 3.54Å; E324-I396 WeakPolarHBondContact O-CA 3.5Å; E324-Q397 PolarHBondContact N-O 2.85Å; E324-Q397 PolarHBondContact O-N 3.4Å
325L89.4Confident74.3Confident0 Ų045.5 Ų45.50%024%0.241CC..EExtended strand (participates in β ladder)trans-75108.2168.6178.471.6000107.7K327 F343 I365 I396 I633 Q660 F662L325-K327 WeakPolarHBondContact CD1-O 3.44Å; L325-F343 HydrophobicContact CD2-CD2 4.2Å; L325-F343 HydrophobicContact CD2-CE2 3.92Å; L325-F343 HydrophobicContact CG-CD2 4.15Å; L325-F343 HydrophobicContact CG-CE2 4.25Å; L325-F343 WeakPolarHBondContact O-CD2 3.49Å; L325-I365 HydrophobicContact CD2-CD1 4.12Å; L325-I365 HydrophobicContact CD2-CG1 4.13Å; L325-I365 HydrophobicContact CD2-CG2 4.12Å; L325-I396 HydrophobicContact CD1-CG1 4.04Å; L325-I633 HydrophobicContact CB-CD1 3.42Å; L325-I633 VanDerWaalsContact CB-CD1 3.42Å; L325-Q660 PolarHBondContact O-NE2 3.2Å; L325-F662 HydrophobicContact CB-CZ 4.43Å; L325-F662 HydrophobicContact CD2-CZ 3.99Å
326N90.5Very high75.6Confident44 Ų4441.9 Ų41.924%0.23523%0.227CC..EExtended strand (participates in β ladder)trans-84.6-34.8-178-68.4-11.1000112E324 E342 F343 R395 Q397E324-N326 PolarHBondContact O-N 3.44Å; E324-N326 PolarHBondContact O-OD1 3.33Å; N326-E342 CarbonylContact O-C 3.58Å; N326-E342 VanDerWaalsContact O-CA 3.27Å; N326-E342 WeakPolarHBondContact O-CA 3.36Å; N326-F343 PolarHBondContact O-N 3.15Å; N326-R395 PolarHBondContact N-O 2.93Å; N326-Q397 PolarHBondContact ND2-OE1 3.3Å
327K94.7Very high77.9Confident38 Ų3842.1 Ų42.117%0.16522%0.218CC..EExtended strand (participates in β ladder)trans-144.8141.4-172.4-165.8-178-172.5-164.10111.7L325 E329 L341 E342 G394 R395L325-K327 WeakPolarHBondContact CD1-O 3.44Å; K327-E329 HydrophobicContact CD-CG 4.43Å; K327-E329 WeakPolarHBondContact CE-OE1 3.26Å; K327-E329 HydrophobicContact CG-CG 4.49Å; K327-E329 IonicContact NZ-OE1 2.69Å; K327-E329 PolarHBondContact NZ-OE1 3.46Å; K327-L341 CarbonylContact C-O 3.54Å; K327-L341 VanDerWaalsContact CA-O 3.31Å; K327-L341 WeakPolarHBondContact CA-O 3.49Å; K327-L341 WeakPolarHBondContact CG-O 3.2Å; K327-E342 HydrophobicContact CG-CG 4.06Å; K327-G394 CarbonylContact O-C 3.53Å; K327-G394 WeakPolarHBondContact O-CA 3.17Å; K327-R395 HydrophobicContact CB-CB 4.07Å; K327-R395 HydrophobicContact CB-CG 4.37Å; K327-R395 PolarHBondContact N-O 3.48Å; K327-R395 PolarHBondContact O-N 2.83Å
328L97.1Very high80.6Confident0 Ų046 Ų460%022%0.216CC..EExtended strand (participates in β ladder)trans-129.1129.2172.5179.271.5000110L330 V340 L341 F343 L361 I365 I392 K393L328-L330 HydrophobicContact CD1-CD2 4.05Å; L328-L330 HydrophobicContact CD2-CD2 4.48Å; L328-L330 HydrophobicContact CG-CD2 4.15Å; L328-L330 HydrophobicContact CG-CG 4.4Å; L328-V340 WeakPolarHBondContact O-CA 3.36Å; L328-L341 PolarHBondContact N-O 3.35Å; L328-L341 PolarHBondContact O-N 2.61Å; L328-F343 HydrophobicContact CB-CE2 3.67Å; L328-F343 HydrophobicContact CB-CZ 4.01Å; L328-F343 HydrophobicContact CD2-CZ 4.38Å; L328-L361 HydrophobicContact CD2-CD1 3.71Å; L328-I365 HydrophobicContact CD1-CG1 4.36Å; L328-I365 HydrophobicContact CD2-CD1 4.29Å; L328-I365 HydrophobicContact CD2-CG1 3.83Å; L328-I392 HydrophobicContact CD1-CG2 4.12Å; L328-K393 WeakPolarHBondContact CA-O 3.44Å
329E97.7Very high82.7Confident47 Ų4744.5 Ų44.522%0.2221%0.209CC..EExtended strand (participates in β ladder)trans-122127174.8-52.2178.2-167.400109.8K327 L339 V340 I392 K393K327-E329 HydrophobicContact CD-CG 4.43Å; K327-E329 WeakPolarHBondContact CE-OE1 3.26Å; K327-E329 HydrophobicContact CG-CG 4.49Å; K327-E329 IonicContact NZ-OE1 2.69Å; K327-E329 PolarHBondContact NZ-OE1 3.46Å; E329-L339 CarbonylContact C-O 3.57Å; E329-L339 VanDerWaalsContact CA-O 3.29Å; E329-L339 WeakPolarHBondContact CA-O 3.29Å; E329-V340 HydrophobicContact CG-CG1 4.27Å; E329-V340 HydrophobicContact CG-CG2 4.19Å; E329-I392 WeakPolarHBondContact O-CA 3.43Å; E329-K393 HydrophobicContact CB-CB 4.19Å; E329-K393 PolarHBondContact N-O 2.97Å; E329-K393 PolarHBondContact O-N 2.91Å
330L97.6Very high85.5Confident4 Ų445.5 Ų45.52%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-118.8141.3175.9-51.2-177.7000110.3L328 Y333 Y336 E338 L339 L361 S364 I392L328-L330 HydrophobicContact CD1-CD2 4.05Å; L328-L330 HydrophobicContact CD2-CD2 4.48Å; L328-L330 HydrophobicContact CG-CD2 4.15Å; L328-L330 HydrophobicContact CG-CG 4.4Å; L330-Y333 HydrophobicContact CD1-CD1 4.29Å; L330-Y336 HydrophobicContact CD1-CD2 3.87Å; L330-Y336 HydrophobicContact CD1-CE2 4.44Å; L330-Y336 HydrophobicContact CD1-CG 4.1Å; L330-E338 CarbonylContact O-C 3.47Å; L330-E338 WeakPolarHBondContact O-CA 3.49Å; L330-L339 HydrophobicContact CB-CB 4.13Å; L330-L339 HydrophobicContact CD1-CD2 3.85Å; L330-L339 HydrophobicContact CG-CB 4.47Å; L330-L339 HydrophobicContact CG-CD2 4.3Å; L330-L339 PolarHBondContact N-O 2.92Å; L330-L339 PolarHBondContact O-N 3.48Å; L330-L361 HydrophobicContact CD1-CD1 4.07Å; L330-S364 WeakPolarHBondContact CD2-OG 3.33Å; L330-I392 HydrophobicContact CD2-CB 4.25Å; L330-I392 HydrophobicContact CD2-CG1 4.19Å; L330-I392 HydrophobicContact CD2-CG2 3.68Å
331R97.2Very high87.8Confident123 Ų12343 Ų4346%0.46421%0.205SC..EExtended strand (participates in β ladder)trans-137.6130.5170.7-172.8176.2178.6179.23.8110.5Y333 Q337 F389 S390 Q391R331-Y333 PolarHBondContact O-N 2.86Å; R331-Y333 VanDerWaalsContact O-N 3.09Å; R331-Q337 CarbonylContact C-O 3.54Å; R331-Q337 WeakPolarHBondContact CA-O 3.29Å; R331-F389 HydrophobicContact CG-CE2 4.44Å; R331-S390 CarbonylContact O-C 3.44Å; R331-S390 WeakPolarHBondContact O-CA 3.38Å; R331-Q391 HydrophobicContact CB-CB 4.22Å; R331-Q391 PolarHBondContact N-O 3.35Å; R331-Q391 PolarHBondContact O-N 3.1Å
332N96.4Very high89.9Confident16 Ų1646.2 Ų46.29%0.08622%0.22CC..EExtended strand (participates in β ladder)trans51.331.6177.7-60.94.2000113.3Y336 Q337 G384 D387 F389 S390N332-Y336 CarbonylContact C-O 3.51Å; N332-Y336 WeakPolarHBondContact CA-O 3.1Å; N332-Y336 PolarHBondContact N-O 3.35Å; N332-Q337 PolarHBondContact N-O 3.37Å; N332-Q337 PolarHBondContact OD1-O 3.47Å; N332-Q337 PolarHBondContact OD1-OE1 3.47Å; N332-G384 PolarHBondContact O-N 3.48Å; N332-D387 HydrophobicContact CB-CB 3.86Å; N332-D387 VanDerWaalsContact CG-CG 3.45Å; N332-D387 VanDerWaalsContact CG-OD1 3.27Å; N332-D387 VanDerWaalsContact ND2-CG 3.35Å; N332-D387 PolarHBondContact ND2-OD1 3.44Å; N332-F389 WeakPolarHBondContact CB-O 3.27Å; N332-S390 WeakPolarHBondContact O-CB 3.4Å
333Y95.6Very high91.9Very high0 Ų044.6 Ų44.60%021%0.212CC..EExtended strand (participates in β ladder)trans-100.7117.8-173.8179.8-88.8000110.1L330 R331 N335 Y336 N360 E363 S364 L382 I392L330-Y333 HydrophobicContact CD1-CD1 4.29Å; R331-Y333 PolarHBondContact O-N 2.86Å; R331-Y333 VanDerWaalsContact O-N 3.09Å; Y333-N335 PolarHBondContact O-N 3.23Å; Y333-Y336 PolarHBondContact N-O 2.83Å; Y333-Y336 WeakPolarHBondContact O-CA 3.44Å; Y333-Y336 WeakPolarHBondContact O-CB 3.24Å; Y333-Y336 PolarHBondContact O-N 3.39Å; Y333-N360 VanDerWaalsContact CE1-O 3.31Å; Y333-N360 WeakPolarHBondContact CE1-O 3.35Å; Y333-E363 WeakPolarHBondContact OH-CG 3.27Å; Y333-S364 PolarHBondContact OH-N 3.01Å; Y333-L382 HydrophobicContact CD2-CB 4.43Å; Y333-L382 WeakPolarHBondContact CD2-O 3.41Å; Y333-L382 HydrophobicContact CE2-CB 3.92Å; Y333-L382 HydrophobicContact CE2-CD2 4.44Å; Y333-I392 HydrophobicContact CD2-CD1 3.67Å; Y333-I392 HydrophobicContact CD2-CG1 3.79Å; Y333-I392 HydrophobicContact CE2-CD1 3.46Å; Y333-I392 VanDerWaalsContact CE2-CD1 3.46Å; Y333-I392 HydrophobicContact CE2-CG1 4.12Å; Y333-I392 HydrophobicContact CG-CG1 4.47Å
334R94.4Very high93.1Very high43 Ų4347.2 Ų47.216%0.16223%0.229CC..THydrogen-bonded Turntrans50.8-108.4-177.2-65.2-76.5-159.6-170.44.2111.6N360 E363 E381 L382R334-N360 HydrophobicContact CB-CB 4.03Å; R334-N360 HydrophobicContact CG-CB 4.13Å; R334-E363 IonicContact CZ-OE1 3.4Å; R334-E363 IonicContact CZ-OE2 3.74Å; R334-E363 IonicContact NE-OE1 2.91Å; R334-E363 IonicContact NE-OE2 3.24Å; R334-E363 PolarHBondContact NE-OE2 3.39Å; R334-E363 IonicContact NH2-OE1 3.41Å; R334-E363 PolarHBondContact NH2-OE1 3.18Å; R334-E363 IonicContact NH2-OE2 3.97Å; R334-E363 PolarHBondContact NH2-OE2 3.24Å; R334-E381 WeakPolarHBondContact CD-O 3.48Å; R334-E381 PolarHBondContact NH1-O 3.19Å; R334-L382 PolarHBondContact N-O 3.17Å; R334-L382 VanDerWaalsContact N-O 3.14Å
335N92.6Very high93.3Very high59 Ų5948.5 Ų48.532%0.31624%0.237SC..THydrogen-bonded Turntrans-104.45.9178.170.2-52.9000113.5Y333 Q356 N360Y333-N335 PolarHBondContact O-N 3.23Å; N335-Q356 PolarHBondContact ND2-O 3.46Å; N335-N360 PolarHBondContact OD1-ND2 2.88Å
336Y93.7Very high93.1Very high2 Ų251.1 Ų51.11%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-97.7111.4175.3-65.5-74.8000109.9L330 N332 Y333 L339 G357 N360 L361 G687 I689L330-Y336 HydrophobicContact CD1-CD2 3.87Å; L330-Y336 HydrophobicContact CD1-CE2 4.44Å; L330-Y336 HydrophobicContact CD1-CG 4.1Å; N332-Y336 CarbonylContact C-O 3.51Å; N332-Y336 WeakPolarHBondContact CA-O 3.1Å; N332-Y336 PolarHBondContact N-O 3.35Å; Y333-Y336 PolarHBondContact N-O 2.83Å; Y333-Y336 WeakPolarHBondContact O-CA 3.44Å; Y333-Y336 WeakPolarHBondContact O-CB 3.24Å; Y333-Y336 PolarHBondContact O-N 3.39Å; Y336-L339 HydrophobicContact CD1-CB 4.23Å; Y336-L339 HydrophobicContact CD1-CD2 3.94Å; Y336-L339 HydrophobicContact CD1-CG 4.49Å; Y336-L339 HydrophobicContact CE1-CD2 3.95Å; Y336-L339 HydrophobicContact CG-CD2 4.45Å; Y336-G357 PolarHBondContact OH-O 3.38Å; Y336-N360 HydrophobicContact CD2-CB 4.48Å; Y336-N360 HydrophobicContact CE2-CB 3.99Å; Y336-L361 HydrophobicContact CE2-CB 4.27Å; Y336-G687 WeakPolarHBondContact CD1-O 3.44Å; Y336-G687 WeakPolarHBondContact CE1-O 3.4Å; Y336-I689 HydrophobicContact CE1-CD1 4.03Å; Y336-I689 HydrophobicContact CE1-CG1 4.26Å
337Q92.8Very high93Very high118 Ų11849.6 Ų49.655%0.55124%0.239SC*.EExtended strand (participates in β ladder)trans-72.3-51.7173.3-74.9-64.7-21.600110.9R331 N332R331-Q337 CarbonylContact C-O 3.54Å; R331-Q337 WeakPolarHBondContact CA-O 3.29Å; N332-Q337 PolarHBondContact N-O 3.37Å; N332-Q337 PolarHBondContact OD1-O 3.47Å; N332-Q337 PolarHBondContact OD1-OE1 3.47Å
338E94.8Very high92.8Very high155 Ų15547.8 Ų47.872%0.72423%0.231SC*.EExtended strand (participates in β ladder)trans-148.8134.2172-171.6167.3-160.900108.6L330L330-E338 CarbonylContact O-C 3.47Å; L330-E338 WeakPolarHBondContact O-CA 3.49Å
339L95.3Very high92.6Very high15 Ų1547.9 Ų47.98%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-146.8135.1178.5-179.772.5000109.4E329 L330 Y336 L341 L361 I689E329-L339 CarbonylContact C-O 3.57Å; E329-L339 VanDerWaalsContact CA-O 3.29Å; E329-L339 WeakPolarHBondContact CA-O 3.29Å; L330-L339 HydrophobicContact CB-CB 4.13Å; L330-L339 HydrophobicContact CD1-CD2 3.85Å; L330-L339 HydrophobicContact CG-CB 4.47Å; L330-L339 HydrophobicContact CG-CD2 4.3Å; L330-L339 PolarHBondContact N-O 2.92Å; L330-L339 PolarHBondContact O-N 3.48Å; Y336-L339 HydrophobicContact CD1-CB 4.23Å; Y336-L339 HydrophobicContact CD1-CD2 3.94Å; Y336-L339 HydrophobicContact CD1-CG 4.49Å; Y336-L339 HydrophobicContact CE1-CD2 3.95Å; Y336-L339 HydrophobicContact CG-CD2 4.45Å; L339-L341 HydrophobicContact CD1-CD2 4.14Å; L339-L341 HydrophobicContact CD1-CG 4.08Å; L339-L341 HydrophobicContact CD2-CD1 3.97Å; L339-L341 HydrophobicContact CD2-CG 4.12Å; L339-L341 HydrophobicContact CG-CD1 4.42Å; L339-L341 HydrophobicContact CG-CG 4.03Å; L339-L361 HydrophobicContact CD2-CD1 3.55Å; L339-I689 HydrophobicContact CD1-CB 4.1Å; L339-I689 HydrophobicContact CD1-CD1 4.19Å; L339-I689 HydrophobicContact CD1-CG1 4.13Å; L339-I689 HydrophobicContact CD2-CD1 3.94Å
340V95.6Very high92.5Very high74 Ų7445.6 Ų45.645%0.44822%0.221SC..EExtended strand (participates in β ladder)trans-131.2122.2170.3-179.80000108.1L328 E329L328-V340 WeakPolarHBondContact O-CA 3.36Å; E329-V340 HydrophobicContact CG-CG1 4.27Å; E329-V340 HydrophobicContact CG-CG2 4.19Å
341L95.3Very high92.3Very high14 Ų1446.5 Ų46.57%0.07323%0.225CC..EExtended strand (participates in β ladder)trans-127.4146.3177.1-64.8179.3000110.7K327 L328 L339 F343 F350 L361 F682 I689K327-L341 CarbonylContact C-O 3.54Å; K327-L341 VanDerWaalsContact CA-O 3.31Å; K327-L341 WeakPolarHBondContact CA-O 3.49Å; K327-L341 WeakPolarHBondContact CG-O 3.2Å; L328-L341 PolarHBondContact N-O 3.35Å; L328-L341 PolarHBondContact O-N 2.61Å; L339-L341 HydrophobicContact CD1-CD2 4.14Å; L339-L341 HydrophobicContact CD1-CG 4.08Å; L339-L341 HydrophobicContact CD2-CD1 3.97Å; L339-L341 HydrophobicContact CD2-CG 4.12Å; L339-L341 HydrophobicContact CG-CD1 4.42Å; L339-L341 HydrophobicContact CG-CG 4.03Å; L341-F343 HydrophobicContact CB-CE1 3.74Å; L341-F343 HydrophobicContact CB-CE2 4.42Å; L341-F343 HydrophobicContact CB-CZ 3.59Å; L341-F343 HydrophobicContact CD1-CE1 3.99Å; L341-F343 HydrophobicContact CD1-CZ 3.97Å; L341-F343 HydrophobicContact CG-CZ 4.47Å; L341-F350 HydrophobicContact CD1-CE1 3.95Å; L341-F350 HydrophobicContact CD1-CZ 4.42Å; L341-L361 HydrophobicContact CD1-CD1 4.05Å; L341-L361 HydrophobicContact CD1-CD2 4.08Å; L341-F682 HydrophobicContact CD2-CD1 4.26Å; L341-F682 HydrophobicContact CD2-CE1 4.22Å; L341-I689 HydrophobicContact CD1-CD1 3.96Å; L341-I689 HydrophobicContact CD1-CG2 4.4Å; L341-I689 HydrophobicContact CD2-CB 4.16Å; L341-I689 HydrophobicContact CD2-CG2 3.9Å
342E93.5Very high92Very high122 Ų12241.4 Ų41.457%0.5721%0.211SC*.EExtended strand (participates in β ladder)trans-121.7143.2172.4-67.5177.8-178.200109.3N326 K327 P344N326-E342 CarbonylContact O-C 3.58Å; N326-E342 VanDerWaalsContact O-CA 3.27Å; N326-E342 WeakPolarHBondContact O-CA 3.36Å; K327-E342 HydrophobicContact CG-CG 4.06Å; E342-P344 WeakPolarHBondContact O-CD 3.22Å
343F91.6Very high91.8Very high3 Ų347.1 Ų47.11%0.01324%0.237CC..  trans-125.379.9-172.5-49.4-61.2000110.5L325 N326 L328 L341 N345 N348 F350 F662 F682L325-F343 HydrophobicContact CD2-CD2 4.2Å; L325-F343 HydrophobicContact CD2-CE2 3.92Å; L325-F343 HydrophobicContact CG-CD2 4.15Å; L325-F343 HydrophobicContact CG-CE2 4.25Å; L325-F343 WeakPolarHBondContact O-CD2 3.49Å; N326-F343 PolarHBondContact O-N 3.15Å; L328-F343 HydrophobicContact CB-CE2 3.67Å; L328-F343 HydrophobicContact CB-CZ 4.01Å; L328-F343 HydrophobicContact CD2-CZ 4.38Å; L341-F343 HydrophobicContact CB-CE1 3.74Å; L341-F343 HydrophobicContact CB-CE2 4.42Å; L341-F343 HydrophobicContact CB-CZ 3.59Å; L341-F343 HydrophobicContact CD1-CE1 3.99Å; L341-F343 HydrophobicContact CD1-CZ 3.97Å; L341-F343 HydrophobicContact CG-CZ 4.47Å; F343-N345 VanDerWaalsContact C-N 3.27Å; F343-N345 PolarHBondContact O-N 2.91Å; F343-N348 HydrophobicContact CD1-CB 4.49Å; F343-F350 AromaticContact CE1-CZ 3.92Å; F343-F350 HydrophobicContact CE1-CZ 3.92Å; F343-F662 HydrophobicContact CB-CE1 4.49Å; F343-F662 HydrophobicContact CB-CZ 4.41Å; F343-F662 AromaticContact CD1-CE1 3.67Å; F343-F662 HydrophobicContact CD1-CE1 3.67Å; F343-F662 HydrophobicContact CD1-CZ 4.37Å; F343-F662 AromaticContact CD2-CE1 3.65Å; F343-F662 HydrophobicContact CD2-CE1 3.65Å; F343-F662 AromaticContact CD2-CZ 3.74Å; F343-F662 HydrophobicContact CD2-CZ 3.74Å; F343-F662 HydrophobicContact CE1-CD1 4.4Å; F343-F662 AromaticContact CE1-CE1 3.67Å; F343-F662 HydrophobicContact CE1-CE1 3.67Å; F343-F662 AromaticContact CE2-CE1 3.62Å; F343-F662 HydrophobicContact CE2-CE1 3.62Å; F343-F662 HydrophobicContact CE2-CZ 4.03Å; F343-F662 AromaticContact CG-CE1 3.66Å; F343-F662 HydrophobicContact CG-CE1 3.66Å; F343-F662 AromaticContact CG-CZ 3.91Å; F343-F662 HydrophobicContact CG-CZ 3.91Å; F343-F662 HydrophobicContact CZ-CD1 4.46Å; F343-F662 AromaticContact CZ-CE1 3.64Å; F343-F662 HydrophobicContact CZ-CE1 3.64Å; F343-F662 HydrophobicContact CZ-CZ 4.49Å; F343-F682 HydrophobicContact CD1-CE2 4.22Å; F343-F682 AromaticContact CD1-CZ 3.94Å; F343-F682 HydrophobicContact CD1-CZ 3.94Å; F343-F682 HydrophobicContact CE1-CE2 4.46Å; F343-F682 HydrophobicContact CE1-CZ 4.17Å
344P80.8Confident91.5Very high75 Ų7552.2 Ų52.249%0.48727%0.265SS..  trans-74.2-19.1-179.330.6-35.1000113.1E342E342-P344 WeakPolarHBondContact O-CD 3.22Å
345N82.1Confident91.1Very high67 Ų6755.2 Ų55.236%0.35830%0.299SS..SBendtrans-109.6160.5177.2-64.4-62.3000111.9F343 N348 D680F343-N345 VanDerWaalsContact C-N 3.27Å; F343-N345 PolarHBondContact O-N 2.91Å; N345-N348 PolarHBondContact O-ND2 2.76Å; N345-D680 VanDerWaalsContact CB-OD2 3.3Å; N345-D680 WeakPolarHBondContact CB-OD2 3.49Å; N345-D680 PolarHBondContact N-OD2 3.41Å; N345-D680 PolarHBondContact ND2-OD1 3.18Å; N345-D680 PolarHBondContact ND2-OD2 2.97Å
346R85.3Confident90.9Very high54 Ų5453.8 Ų53.820%0.20429%0.29CS..SBendtrans-72.8-35.7179.9-71.3-174.3172.7-167.4-5.1113.5E324 N348 N657 Q660 T661E324-R346 IonicContact OE1-CZ 3.32Å; E324-R346 VanDerWaalsContact OE1-CZ 3.26Å; E324-R346 IonicContact OE1-NE 3.05Å; E324-R346 PolarHBondContact OE1-NE 2.64Å; E324-R346 IonicContact OE1-NH2 2.83Å; E324-R346 PolarHBondContact OE1-NH2 2.87Å; R346-N348 PolarHBondContact O-ND2 3.24Å; R346-N657 PolarHBondContact NH1-O 2.97Å; R346-Q660 CarbonylContact O-C 3.57Å; R346-Q660 WeakPolarHBondContact O-CA 3.3Å; R346-Q660 WeakPolarHBondContact O-CG 3.47Å; R346-T661 PolarHBondContact O-N 3.31Å
347L88.4Confident90.8Very high13 Ų1354 Ų547%0.06829%0.292CS..EExtended strand (participates in β ladder)trans-103.8113.8-177.9-179.360.8000111.1I349 T661 M675 V677 P679 D680L347-I349 HydrophobicContact CD1-CG1 4.38Å; L347-I349 HydrophobicContact CD2-CD1 4.48Å; L347-I349 HydrophobicContact CG-CG1 4.23Å; L347-T661 HydrophobicContact CD1-CG2 3.91Å; L347-M675 HydrophobicContact CD2-CE 3.15Å; L347-M675 HydrophobicContact CD2-SD 3.23Å; L347-M675 WeakPolarHBondContact CD2-SD 3.31Å; L347-V677 HydrophobicContact CB-CG2 4.43Å; L347-V677 HydrophobicContact CD2-CG2 3.91Å; L347-P679 HydrophobicContact CB-CB 4.39Å; L347-P679 HydrophobicContact CD2-CB 3.83Å; L347-P679 HydrophobicContact CG-CB 3.89Å; L347-P679 WeakPolarHBondContact O-CA 3.37Å; L347-D680 PolarHBondContact O-N 2.86Å
348N92.2Very high90.9Very high0 Ų048.8 Ų48.80%027%0.268CS..EExtended strand (participates in β ladder)trans-118.6109.7-175.1-61.8-82.9000109.2F343 N345 R346 F350 T661 F662 L663 F682F343-N348 HydrophobicContact CD1-CB 4.49Å; N345-N348 PolarHBondContact O-ND2 2.76Å; R346-N348 PolarHBondContact O-ND2 3.24Å; N348-F350 HydrophobicContact CB-CE2 4.02Å; N348-F350 HydrophobicContact CB-CZ 4.39Å; N348-T661 PolarHBondContact N-O 2.71Å; N348-F662 HydrophobicContact CB-CD1 3.9Å; N348-F662 HydrophobicContact CB-CE1 4.11Å; N348-F662 HydrophobicContact CB-CG 4.44Å; N348-F662 CarbonylContact O-C 3.58Å; N348-F662 WeakPolarHBondContact O-CA 3.47Å; N348-L663 PolarHBondContact O-N 2.8Å; N348-F682 HydrophobicContact CB-CD2 4.46Å; N348-F682 HydrophobicContact CB-CE2 4.03Å; N348-F682 WeakPolarHBondContact OD1-CE2 3.3Å
349I92.8Very high90.8Very high1 Ų143.3 Ų43.31%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-104119.6-176.8-56.2179.6000110L347 L663 T665 L668 V671 M675 P679 D680 I681 F682L347-I349 HydrophobicContact CD1-CG1 4.38Å; L347-I349 HydrophobicContact CD2-CD1 4.48Å; L347-I349 HydrophobicContact CG-CG1 4.23Å; I349-L663 CarbonylContact C-O 3.54Å; I349-L663 WeakPolarHBondContact CA-O 3.49Å; I349-L663 HydrophobicContact CG1-CB 4.49Å; I349-L663 HydrophobicContact CG1-CD2 4.33Å; I349-T665 HydrophobicContact CG2-CG2 4.03Å; I349-L668 HydrophobicContact CG2-CD2 3.99Å; I349-V671 HydrophobicContact CD1-CG1 3.93Å; I349-M675 HydrophobicContact CD1-CE 4.49Å; I349-P679 HydrophobicContact CD1-CB 3.53Å; I349-P679 HydrophobicContact CD1-CG 3.87Å; I349-P679 HydrophobicContact CG1-CB 3.9Å; I349-D680 PolarHBondContact N-O 2.69Å; I349-I681 WeakPolarHBondContact O-CA 3.14Å; I349-F682 PolarHBondContact O-N 2.86Å
350F94.5Very high90.8Very high0 Ų043.9 Ų43.90%025%0.249CC..EExtended strand (participates in β ladder)trans-97.9108.6174-60.9-85.7000109.9L341 F343 N348 K358 L361 L362 F662 L663 T664 T665 F682 V684 I689L341-F350 HydrophobicContact CD1-CE1 3.95Å; L341-F350 HydrophobicContact CD1-CZ 4.42Å; F343-F350 AromaticContact CE1-CZ 3.92Å; F343-F350 HydrophobicContact CE1-CZ 3.92Å; N348-F350 HydrophobicContact CB-CE2 4.02Å; N348-F350 HydrophobicContact CB-CZ 4.39Å; F350-K358 WeakPolarHBondContact O-CD 3.09Å; F350-L361 HydrophobicContact CD1-CD2 3.28Å; F350-L361 HydrophobicContact CD2-CD2 4.1Å; F350-L361 HydrophobicContact CE1-CD2 3.09Å; F350-L361 HydrophobicContact CE2-CD2 3.96Å; F350-L361 HydrophobicContact CG-CD2 3.8Å; F350-L361 HydrophobicContact CZ-CD2 3.45Å; F350-L361 VanDerWaalsContact CZ-CD2 3.45Å; F350-L362 HydrophobicContact CD2-CD1 4.22Å; F350-F662 HydrophobicContact CE2-CB 4.29Å; F350-F662 AromaticContact CE2-CD1 3.75Å; F350-F662 HydrophobicContact CE2-CD1 3.75Å; F350-F662 HydrophobicContact CZ-CD1 4.16Å; F350-L663 PolarHBondContact N-O 2.78Å; F350-T664 HydrophobicContact CB-CG2 4.27Å; F350-T664 WeakPolarHBondContact O-CA 3.47Å; F350-T665 PolarHBondContact O-N 3Å; F350-F682 CarbonylContact C-O 3.59Å; F350-F682 WeakPolarHBondContact CA-O 3.36Å; F350-F682 HydrophobicContact CD1-CB 3.41Å; F350-F682 VanDerWaalsContact CD1-CB 3.41Å; F350-F682 HydrophobicContact CD1-CD2 4.28Å; F350-F682 AromaticContact CD1-CG 4Å; F350-F682 HydrophobicContact CD1-CG 4Å; F350-F682 HydrophobicContact CE1-CB 3.51Å; F350-F682 HydrophobicContact CE1-CD1 4.18Å; F350-F682 AromaticContact CE1-CD2 3.71Å; F350-F682 HydrophobicContact CE1-CD2 3.71Å; F350-F682 HydrophobicContact CE1-CE2 4.45Å; F350-F682 AromaticContact CE1-CG 3.54Å; F350-F682 HydrophobicContact CE1-CG 3.54Å; F350-F682 HydrophobicContact CE2-CD2 4.43Å; F350-F682 HydrophobicContact CG-CB 4.26Å; F350-F682 HydrophobicContact CZ-CB 4.43Å; F350-F682 AromaticContact CZ-CD2 3.81Å; F350-F682 HydrophobicContact CZ-CD2 3.81Å; F350-F682 HydrophobicContact CZ-CE2 4.25Å; F350-F682 HydrophobicContact CZ-CG 4.13Å; F350-V684 HydrophobicContact CB-CG2 3.98Å; F350-V684 HydrophobicContact CD1-CG2 4.07Å; F350-I689 HydrophobicContact CD1-CD1 4.33Å; F350-I689 HydrophobicContact CD1-CG2 4.49Å; F350-I689 HydrophobicContact CE1-CD1 4.42Å; F350-I689 HydrophobicContact CE1-CG2 4.44Å
351L93.4Very high90.8Very high22 Ų2240.4 Ų40.412%0.11523%0.227CC..EExtended strand (participates in β ladder)trans-105.5130.6-177-17371.7000110.6T665 T666 L668 I681 F682 Y683 V684L351-T665 WeakPolarHBondContact CA-O 3.34Å; L351-T665 HydrophobicContact CD1-CG2 3.89Å; L351-T666 VanDerWaalsContact CD1-C 3.49Å; L351-L668 HydrophobicContact CD1-CD2 4.38Å; L351-L668 HydrophobicContact CD1-CG 4.22Å; L351-L668 HydrophobicContact CD2-CD1 4.17Å; L351-L668 HydrophobicContact CD2-CD2 4.43Å; L351-L668 HydrophobicContact CD2-CG 3.96Å; L351-I681 HydrophobicContact CB-CG2 4.4Å; L351-F682 PolarHBondContact N-O 3.07Å; L351-Y683 HydrophobicContact CD2-CD1 4.21Å; L351-Y683 HydrophobicContact CD2-CE1 3.67Å; L351-Y683 CarbonylContact O-C 3.47Å; L351-Y683 WeakPolarHBondContact O-CA 3.5Å; L351-V684 PolarHBondContact O-N 3.37Å
352G91.7Very high90.9Very high16 Ų1639.7 Ų39.717%0.16522%0.224CC..  trans175.2174.1175.300000112.4K358 T665G352-K358 PolarHBondContact O-NZ 3.31Å; G352-T665 PolarHBondContact N-O 2.74Å
353E91.2Very high91Very high136 Ų13633.9 Ų33.964%0.63620%0.197SC*.  trans-68.1168.9175.6-64.7-173.9168.600112.2Q356 K358E353-Q356 HydrophobicContact CB-CG 3.85Å; E353-Q356 VanDerWaalsContact O-CG 3.28Å; E353-Q356 WeakPolarHBondContact O-CG 3.11Å; E353-K358 VanDerWaalsContact C-NZ 3.34Å; E353-K358 PolarHBondContact O-NZ 3.5Å
354N89.6Confident91.2Very high107 Ų10733.8 Ų33.857%0.57220%0.196SC*.THydrogen-bonded Turntrans-64.4151.7174.3-68.8-18.8000110.9Q356 T666N354-Q356 PolarHBondContact O-N 2.83Å; N354-T666 VanDerWaalsContact OD1-CG2 3.3Å; N354-T666 WeakPolarHBondContact OD1-CG2 3.09Å
355A85.3Confident92Very high107 Ų10730.2 Ų30.288%0.88417%0.173SC*.THydrogen-bonded Turntrans62.114.7-179.500000116.6
356Q89.1Confident92.7Very high29 Ų2927.6 Ų27.614%0.13616%0.158CC..SBendtrans-85-10178.8-59.8-60.6-25.200114.7N335 E353 N354 V684 G687N335-Q356 PolarHBondContact ND2-O 3.46Å; E353-Q356 HydrophobicContact CB-CG 3.85Å; E353-Q356 VanDerWaalsContact O-CG 3.28Å; E353-Q356 WeakPolarHBondContact O-CG 3.11Å; N354-Q356 PolarHBondContact O-N 2.83Å; Q356-V684 HydrophobicContact CB-CG1 4.14Å; Q356-G687 PolarHBondContact O-N 3.15Å
357G91.4Very high93.2Very high5 Ų525 Ų255%0.05215%0.148CC..SBendtrans120.9-9.6178.700000115.6Y336 T359 N360 L361Y336-G357 PolarHBondContact OH-O 3.38Å; G357-T359 PolarHBondContact O-N 3.02Å; G357-N360 CarbonylContact O-C 3.49Å; G357-N360 WeakPolarHBondContact O-CA 3.36Å; G357-N360 WeakPolarHBondContact O-CB 3.24Å; G357-N360 PolarHBondContact O-N 3.13Å; G357-L361 PolarHBondContact O-N 3.23Å
358K94.3Very high93.6Very high10 Ų1024.4 Ų24.44%0.04315%0.145CC..Hα-helixtrans-47.6-53.6-177.2-52-168.7-58.2-88.30113.8F350 G352 E353 N360 L361 L362 T664 T665 V684F350-K358 WeakPolarHBondContact O-CD 3.09Å; G352-K358 PolarHBondContact O-NZ 3.31Å; E353-K358 VanDerWaalsContact C-NZ 3.34Å; E353-K358 PolarHBondContact O-NZ 3.5Å; K358-N360 VanDerWaalsContact C-N 3.33Å; K358-N360 PolarHBondContact O-N 3.34Å; K358-L361 VanDerWaalsContact O-CB 3.31Å; K358-L361 WeakPolarHBondContact O-CB 2.99Å; K358-L361 PolarHBondContact O-N 2.91Å; K358-L361 VanDerWaalsContact O-N 3.15Å; K358-L362 PolarHBondContact O-N 3.49Å; K358-T664 HydrophobicContact CB-CG2 3.72Å; K358-T665 WeakPolarHBondContact CE-O 3.16Å; K358-V684 HydrophobicContact CG-CB 3.96Å; K358-V684 HydrophobicContact CG-CG1 4.11Å; K358-V684 HydrophobicContact CG-CG2 4.05Å
359T93.8Very high93.7Very high40 Ų4024.4 Ų24.425%0.24515%0.145CC..Hα-helixtrans-62.2-37.9176.4-59.30000112.6G357 L361 L362 E363 D637G357-T359 PolarHBondContact O-N 3.02Å; T359-L361 PolarHBondContact O-N 3.34Å; T359-L362 PolarHBondContact O-N 3.42Å; T359-E363 VanDerWaalsContact O-CB 3.23Å; T359-E363 WeakPolarHBondContact O-CB 3.42Å; T359-E363 PolarHBondContact O-N 2.83Å; T359-D637 WeakPolarHBondContact CB-OD2 3.4Å; T359-D637 WeakPolarHBondContact CG2-OD2 3.36Å; T359-D637 PolarHBondContact OG1-OD1 3Å; T359-D637 PolarHBondContact OG1-OD2 3.26Å; T359-D637 VanDerWaalsContact OG1-OD2 3.06Å
360N94.9Very high93.7Very high27 Ų2724.9 Ų24.914%0.14415%0.148CC..Hα-helixtrans-66.1-31.8177.4-63.2-18.7000110.8Y333 R334 N335 Y336 G357 K358 S364 R375Y333-N360 VanDerWaalsContact CE1-O 3.31Å; Y333-N360 WeakPolarHBondContact CE1-O 3.35Å; R334-N360 HydrophobicContact CB-CB 4.03Å; R334-N360 HydrophobicContact CG-CB 4.13Å; N335-N360 PolarHBondContact OD1-ND2 2.88Å; Y336-N360 HydrophobicContact CD2-CB 4.48Å; Y336-N360 HydrophobicContact CE2-CB 3.99Å; G357-N360 CarbonylContact O-C 3.49Å; G357-N360 WeakPolarHBondContact O-CA 3.36Å; G357-N360 WeakPolarHBondContact O-CB 3.24Å; G357-N360 PolarHBondContact O-N 3.13Å; K358-N360 VanDerWaalsContact C-N 3.33Å; K358-N360 PolarHBondContact O-N 3.34Å; N360-S364 PolarHBondContact O-N 3.38Å; N360-R375 PolarHBondContact OD1-NH1 3.21Å
361L96Very high93.6Very high0 Ų025 Ų250%015%0.148CC..Hα-helixtrans-64.8-52.5174.5-175.770.4000111.6L328 L330 Y336 L339 L341 F350 G357 K358 T359 E363 S364 I365 I689L328-L361 HydrophobicContact CD2-CD1 3.71Å; L330-L361 HydrophobicContact CD1-CD1 4.07Å; Y336-L361 HydrophobicContact CE2-CB 4.27Å; L339-L361 HydrophobicContact CD2-CD1 3.55Å; L341-L361 HydrophobicContact CD1-CD1 4.05Å; L341-L361 HydrophobicContact CD1-CD2 4.08Å; F350-L361 HydrophobicContact CD1-CD2 3.28Å; F350-L361 HydrophobicContact CD2-CD2 4.1Å; F350-L361 HydrophobicContact CE1-CD2 3.09Å; F350-L361 HydrophobicContact CE2-CD2 3.96Å; F350-L361 HydrophobicContact CG-CD2 3.8Å; F350-L361 HydrophobicContact CZ-CD2 3.45Å; F350-L361 VanDerWaalsContact CZ-CD2 3.45Å; G357-L361 PolarHBondContact O-N 3.23Å; K358-L361 VanDerWaalsContact O-CB 3.31Å; K358-L361 WeakPolarHBondContact O-CB 2.99Å; K358-L361 PolarHBondContact O-N 2.91Å; K358-L361 VanDerWaalsContact O-N 3.15Å; T359-L361 PolarHBondContact O-N 3.34Å; L361-E363 VanDerWaalsContact C-N 3.29Å; L361-E363 PolarHBondContact O-N 3.4Å; L361-S364 WeakPolarHBondContact O-CB 3.21Å; L361-S364 PolarHBondContact O-N 2.96Å; L361-S364 PolarHBondContact O-OG 2.91Å; L361-I365 PolarHBondContact O-N 2.75Å; L361-I689 HydrophobicContact CD1-CD1 4.23Å; L361-I689 HydrophobicContact CD2-CD1 3.72Å; L361-I689 HydrophobicContact CG-CD1 4.48Å
362L96.4Very high93.5Very high0 Ų030.2 Ų30.20%017%0.167CC..Hα-helixtrans-62-38.9176.6-91.758.2000111.3F350 K358 T359 S364 I365 Y366 L635 L636 D637 F662 T664F350-L362 HydrophobicContact CD2-CD1 4.22Å; K358-L362 PolarHBondContact O-N 3.49Å; T359-L362 PolarHBondContact O-N 3.42Å; L362-S364 PolarHBondContact O-N 2.97Å; L362-I365 PolarHBondContact O-N 3.14Å; L362-Y366 PolarHBondContact O-N 3.34Å; L362-L635 HydrophobicContact CD2-CB 4.15Å; L362-L635 HydrophobicContact CG-CB 4.21Å; L362-L635 HydrophobicContact CG-CD2 4.49Å; L362-L636 WeakPolarHBondContact CD2-O 3.39Å; L362-D637 HydrophobicContact CD2-CB 3.87Å; L362-F662 HydrophobicContact CD1-CB 4.17Å; L362-F662 HydrophobicContact CG-CB 4.39Å; L362-T664 HydrophobicContact CD1-CG2 3.36Å; L362-T664 HydrophobicContact CD2-CG2 3.57Å; L362-T664 HydrophobicContact CG-CG2 4.01Å
363E95.7Very high93.5Very high0 Ų029.7 Ų29.70%016%0.16CC..Hα-helixtrans-57.8-35.2173.6-170.5-179-151.800111.4Y333 R334 T359 L361 Y366 V367 S373 R375Y333-E363 WeakPolarHBondContact OH-CG 3.27Å; R334-E363 IonicContact CZ-OE1 3.4Å; R334-E363 IonicContact CZ-OE2 3.74Å; R334-E363 IonicContact NE-OE1 2.91Å; R334-E363 IonicContact NE-OE2 3.24Å; R334-E363 PolarHBondContact NE-OE2 3.39Å; R334-E363 IonicContact NH2-OE1 3.41Å; R334-E363 PolarHBondContact NH2-OE1 3.18Å; R334-E363 IonicContact NH2-OE2 3.97Å; R334-E363 PolarHBondContact NH2-OE2 3.24Å; T359-E363 VanDerWaalsContact O-CB 3.23Å; T359-E363 WeakPolarHBondContact O-CB 3.42Å; T359-E363 PolarHBondContact O-N 2.83Å; L361-E363 VanDerWaalsContact C-N 3.29Å; L361-E363 PolarHBondContact O-N 3.4Å; E363-Y366 PolarHBondContact O-N 2.83Å; E363-V367 HydrophobicContact CG-CG2 4.17Å; E363-V367 VanDerWaalsContact O-CB 3.28Å; E363-V367 WeakPolarHBondContact O-CB 3.32Å; E363-V367 WeakPolarHBondContact O-CG2 3.43Å; E363-V367 PolarHBondContact O-N 3.21Å; E363-S373 WeakPolarHBondContact OE1-CB 3.47Å; E363-S373 PolarHBondContact OE1-OG 3.1Å; E363-R375 IonicContact OE2-NH1 2.91Å; E363-R375 PolarHBondContact OE2-NH1 3.18Å
364S97.1Very high93.3Very high0 Ų023.9 Ų23.90%013%0.133CC..Hα-helixtrans-68.2-39.7178.978.30000112.6L330 Y333 N360 L361 L362 V367 L368L330-S364 WeakPolarHBondContact CD2-OG 3.33Å; Y333-S364 PolarHBondContact OH-N 3.01Å; N360-S364 PolarHBondContact O-N 3.38Å; L361-S364 WeakPolarHBondContact O-CB 3.21Å; L361-S364 PolarHBondContact O-N 2.96Å; L361-S364 PolarHBondContact O-OG 2.91Å; L362-S364 PolarHBondContact O-N 2.97Å; S364-V367 PolarHBondContact O-N 2.63Å; S364-L368 WeakPolarHBondContact O-CB 3.31Å; S364-L368 PolarHBondContact O-N 3.1Å
365I97.1Very high93.2Very high0 Ų024.6 Ų24.60%013%0.128CC..Hα-helixtrans-64.7-45.3173.8-57.9171.6000110.2L325 L328 L361 L362 V367 L368 A369 V435 L635 F662L325-I365 HydrophobicContact CD2-CD1 4.12Å; L325-I365 HydrophobicContact CD2-CG1 4.13Å; L325-I365 HydrophobicContact CD2-CG2 4.12Å; L328-I365 HydrophobicContact CD1-CG1 4.36Å; L328-I365 HydrophobicContact CD2-CD1 4.29Å; L328-I365 HydrophobicContact CD2-CG1 3.83Å; L361-I365 PolarHBondContact O-N 2.75Å; L362-I365 PolarHBondContact O-N 3.14Å; I365-V367 PolarHBondContact O-N 2.88Å; I365-L368 WeakPolarHBondContact O-CB 3.35Å; I365-L368 PolarHBondContact O-N 3.04Å; I365-A369 PolarHBondContact O-N 3.11Å; I365-V435 HydrophobicContact CG2-CG1 4.34Å; I365-L635 HydrophobicContact CB-CD1 4.11Å; I365-L635 HydrophobicContact CB-CD2 4.21Å; I365-L635 HydrophobicContact CD1-CD2 4.09Å; I365-L635 HydrophobicContact CG2-CD1 4.12Å; I365-L635 HydrophobicContact CG2-CD2 3.94Å; I365-F662 HydrophobicContact CD1-CD1 3.66Å; I365-F662 HydrophobicContact CD1-CD2 4.26Å; I365-F662 HydrophobicContact CD1-CE1 3.91Å; I365-F662 HydrophobicContact CD1-CE2 4.45Å; I365-F662 HydrophobicContact CD1-CG 3.89Å; I365-F662 HydrophobicContact CD1-CZ 4.31Å
366Y96Very high93.3Very high12 Ų1220.4 Ų20.45%0.0479%0.091CC..Hα-helixtrans-60.3-44.2176.4-175.8-91.9000112.3L362 E363 L368 A369 L370 R372 H374 V435 L437 M459L362-Y366 PolarHBondContact O-N 3.34Å; E363-Y366 PolarHBondContact O-N 2.83Å; Y366-L368 VanDerWaalsContact C-N 3.35Å; Y366-A369 PolarHBondContact O-N 2.97Å; Y366-L370 HydrophobicContact CD1-CD1 4.47Å; Y366-L370 HydrophobicContact CD2-CD1 4.06Å; Y366-L370 HydrophobicContact CE1-CD1 3.89Å; Y366-L370 HydrophobicContact CE2-CD1 3.45Å; Y366-L370 VanDerWaalsContact CE2-CD1 3.45Å; Y366-L370 PolarHBondContact O-N 3.33Å; Y366-L370 WeakPolarHBondContact OH-CD1 3.42Å; Y366-R372 VanDerWaalsContact CD1-O 3.28Å; Y366-R372 WeakPolarHBondContact CD1-O 3.3Å; Y366-R372 WeakPolarHBondContact CE1-O 3.37Å; Y366-H374 HydrophobicContact CD1-CB 4.32Å; Y366-H374 HydrophobicContact CE1-CB 3.83Å; Y366-V435 HydrophobicContact CD2-CG2 4.01Å; Y366-L437 HydrophobicContact CD2-CB 3.63Å; Y366-L437 HydrophobicContact CD2-CD2 3.99Å; Y366-L437 HydrophobicContact CD2-CG 4.44Å; Y366-L437 HydrophobicContact CE2-CB 3.79Å; Y366-L437 HydrophobicContact CE2-CD2 4.16Å; Y366-L437 HydrophobicContact CG-CD2 4.33Å; Y366-M459 PolarHBondContact OH-SD 3.04Å; Y366-M459 VanDerWaalsContact OH-SD 3.35Å
367V96.3Very high93.1Very high0 Ų025.1 Ų25.10%013%0.127CC..Hα-helixtrans-66.8-36.5176.7169.40000111.1E363 S364 I365 A369 T371 R372 L382 I392 L407E363-V367 HydrophobicContact CG-CG2 4.17Å; E363-V367 VanDerWaalsContact O-CB 3.28Å; E363-V367 WeakPolarHBondContact O-CB 3.32Å; E363-V367 WeakPolarHBondContact O-CG2 3.43Å; E363-V367 PolarHBondContact O-N 3.21Å; S364-V367 PolarHBondContact O-N 2.63Å; I365-V367 PolarHBondContact O-N 2.88Å; V367-A369 VanDerWaalsContact C-N 3.33Å; V367-A369 PolarHBondContact O-N 3Å; V367-T371 WeakPolarHBondContact O-CA 3.47Å; V367-T371 PolarHBondContact O-N 3.45Å; V367-R372 WeakPolarHBondContact CG2-O 3.24Å; V367-L382 HydrophobicContact CG1-CD1 4.12Å; V367-L382 HydrophobicContact CG2-CD1 4.03Å; V367-I392 HydrophobicContact CB-CD1 4.04Å; V367-I392 HydrophobicContact CG1-CD1 3.6Å; V367-L407 HydrophobicContact CG1-CD2 3.45Å; V367-L407 VanDerWaalsContact CG1-CD2 3.45Å
368L96.5Very high93.1Very high0 Ų026.7 Ų26.70%014%0.138CC..Hα-helixtrans-62.1-40.8174.8-175.366.1000111.4S364 I365 Y366 I392 L405 L407 Y429 L433S364-L368 WeakPolarHBondContact O-CB 3.31Å; S364-L368 PolarHBondContact O-N 3.1Å; I365-L368 WeakPolarHBondContact O-CB 3.35Å; I365-L368 PolarHBondContact O-N 3.04Å; Y366-L368 VanDerWaalsContact C-N 3.35Å; L368-I392 HydrophobicContact CB-CG2 3.93Å; L368-I392 HydrophobicContact CD1-CB 4.41Å; L368-I392 HydrophobicContact CD1-CG2 4.01Å; L368-I392 HydrophobicContact CD2-CG2 4.45Å; L368-I392 HydrophobicContact CG-CG2 4.35Å; L368-L405 HydrophobicContact CD1-CB 3.86Å; L368-L405 HydrophobicContact CD2-CB 4.41Å; L368-L405 HydrophobicContact CG-CB 4.16Å; L368-L407 HydrophobicContact CD1-CB 4.45Å; L368-Y429 WeakPolarHBondContact O-CE1 3.38Å; L368-Y429 PolarHBondContact O-OH 3.28Å; L368-L433 HydrophobicContact CD2-CD2 4.36Å
369A94.4Very high92.8Very high0 Ų028.9 Ų28.90%015%0.148CC..Hα-helixtrans-72.7-44.5178.900000113.2I365 Y366 V367 L433 V435I365-A369 PolarHBondContact O-N 3.11Å; Y366-A369 PolarHBondContact O-N 2.97Å; V367-A369 VanDerWaalsContact C-N 3.33Å; V367-A369 PolarHBondContact O-N 3Å; A369-L433 HydrophobicContact CB-CB 4.21Å; A369-L433 HydrophobicContact CB-CD2 4.18Å; A369-L433 HydrophobicContact CB-CG 4.17Å; A369-L433 WeakPolarHBondContact CB-O 3.29Å; A369-V435 HydrophobicContact CB-CB 4.15Å; A369-V435 HydrophobicContact CB-CG1 3.54Å; A369-V435 HydrophobicContact CB-CG2 3.45Å; A369-V435 VanDerWaalsContact CB-CG2 3.45Å
370L92.6Very high92.7Very high12 Ų1232.3 Ų32.36%0.06316%0.161CC..Hα-helixtrans-110.6-2.3-166.8-61179.4000114.8Y366 R372 I430 V435 Q463Y366-L370 HydrophobicContact CD1-CD1 4.47Å; Y366-L370 HydrophobicContact CD2-CD1 4.06Å; Y366-L370 HydrophobicContact CE1-CD1 3.89Å; Y366-L370 HydrophobicContact CE2-CD1 3.45Å; Y366-L370 VanDerWaalsContact CE2-CD1 3.45Å; Y366-L370 PolarHBondContact O-N 3.33Å; Y366-L370 WeakPolarHBondContact OH-CD1 3.42Å; L370-R372 PolarHBondContact O-N 3.11Å; L370-R372 VanDerWaalsContact O-N 3.11Å; L370-I430 HydrophobicContact CD2-CG2 4.24Å; L370-V435 HydrophobicContact CD1-CG2 4.29Å; L370-V435 HydrophobicContact CG-CG2 4.31Å; L370-Q463 HydrophobicContact CD2-CG 3.46Å; L370-Q463 VanDerWaalsContact CD2-CG 3.46Å
371T92.6Very high92.6Very high2 Ų235.9 Ų35.91%0.01218%0.177CC..SBendtrans59.811.2-174.974.80000114.6V367 L407 R414 L426 Y429V367-T371 WeakPolarHBondContact O-CA 3.47Å; V367-T371 PolarHBondContact O-N 3.45Å; T371-L407 HydrophobicContact CG2-CD1 4.13Å; T371-R414 PolarHBondContact O-NH1 3.14Å; T371-R414 PolarHBondContact OG1-NH1 3.24Å; T371-R414 PolarHBondContact OG1-NH2 3.38Å; T371-L426 HydrophobicContact CG2-CD1 3.73Å; T371-L426 VanDerWaalsContact OG1-CD1 3.27Å; T371-L426 WeakPolarHBondContact OG1-CD1 3.31Å; T371-Y429 HydrophobicContact CG2-CD1 3.42Å; T371-Y429 VanDerWaalsContact CG2-CD1 3.42Å; T371-Y429 HydrophobicContact CG2-CE1 3.44Å; T371-Y429 VanDerWaalsContact CG2-CE1 3.44Å; T371-Y429 HydrophobicContact CG2-CG 4.39Å
372R91.1Very high92.6Very high132 Ų13236 Ų3650%0.49818%0.177SC..SBendtrans-143.5150-173.3-64.8-175.6-177.8174.64.4110.4Y366 V367 L370Y366-R372 VanDerWaalsContact CD1-O 3.28Å; Y366-R372 WeakPolarHBondContact CD1-O 3.3Å; Y366-R372 WeakPolarHBondContact CE1-O 3.37Å; V367-R372 WeakPolarHBondContact CG2-O 3.24Å; L370-R372 PolarHBondContact O-N 3.11Å; L370-R372 VanDerWaalsContact O-N 3.11Å
373S92Very high92.5Very high4 Ų436.5 Ų36.53%0.02818%0.18CC..  trans-82.9146.9173.81650000111.1E363 R375 T376 R455E363-S373 WeakPolarHBondContact OE1-CB 3.47Å; E363-S373 PolarHBondContact OE1-OG 3.1Å; S373-R375 PolarHBondContact OG-N 3.32Å; S373-T376 WeakPolarHBondContact CB-O 3.41Å; S373-T376 PolarHBondContact OG-N 3.27Å; S373-R455 PolarHBondContact O-NH2 3.24Å
374H86.8Confident92.4Very high14 Ų1436.7 Ų36.77%0.06518%0.182CC..SBendtrans-71.4-38.2166.861.9-79.1000110.7Y366 L437 E441 R455Y366-H374 HydrophobicContact CD1-CB 4.32Å; Y366-H374 HydrophobicContact CE1-CB 3.83Å; H374-L437 HydrophobicContact CB-CD2 3.84Å; H374-L437 VanDerWaalsContact CD2-CD2 3.47Å; H374-L437 WeakPolarHBondContact CD2-CD2 3.33Å; H374-L437 VanDerWaalsContact CE1-CD2 3.47Å; H374-L437 WeakPolarHBondContact CE1-CD2 3.41Å; H374-L437 VanDerWaalsContact ND1-CD2 3.28Å; H374-L437 WeakPolarHBondContact ND1-CD2 3.29Å; H374-E441 IonicContact CD2-OE1 3.02Å; H374-E441 PolarHBondContact CD2-OE1 3.28Å; H374-R455 PolarHBondContact O-NH2 3.09Å; H374-R455 VanDerWaalsContact O-NH2 3.08Å
375R88.7Confident92Very high122 Ų12248.8 Ų48.846%0.4623%0.228SC..SBendtrans-80.5-32.5-171.8-57.8168.661.5-1579115N360 E363 S373N360-R375 PolarHBondContact OD1-NH1 3.21Å; E363-R375 IonicContact OE2-NH1 2.91Å; E363-R375 PolarHBondContact OE2-NH1 3.18Å; S373-R375 PolarHBondContact OG-N 3.32Å
376T86.5Confident91.7Very high20 Ų2057.9 Ų57.912%0.12327%0.27CS..  trans-139.6146.9-175.1-174.20000112.8S373 S378 E381 L382S373-T376 WeakPolarHBondContact CB-O 3.41Å; S373-T376 PolarHBondContact OG-N 3.27Å; T376-S378 WeakPolarHBondContact CG2-O 3.48Å; T376-S378 PolarHBondContact OG1-N 3.14Å; T376-S378 VanDerWaalsContact OG1-N 3.09Å; T376-E381 WeakPolarHBondContact CB-OE2 3.38Å; T376-E381 HydrophobicContact CG2-CB 4.17Å; T376-E381 PolarHBondContact OG1-OE1 3.5Å; T376-E381 PolarHBondContact OG1-OE2 3.3Å; T376-L382 HydrophobicContact CG2-CD2 4.18Å
377S85.9Confident91.6Very high127 Ų12758.6 Ų58.689%0.88828%0.275SS*.SBendtrans-85-12.4169.556.70000113
378S89.8Confident91.5Very high39 Ų3963.9 Ų63.927%0.27330%0.303SS..  trans-93.2110.2-177.6-175.90000110.8T376 Q380 E381T376-S378 WeakPolarHBondContact CG2-O 3.48Å; T376-S378 PolarHBondContact OG1-N 3.14Å; T376-S378 VanDerWaalsContact OG1-N 3.09Å; S378-Q380 PolarHBondContact O-N 2.9Å; S378-E381 VanDerWaalsContact CB-OE1 3.32Å; S378-E381 WeakPolarHBondContact CB-OE1 3.44Å; S378-E381 PolarHBondContact O-N 3.49Å
379E89.3Confident91.5Very high56 Ų5666.7 Ų66.726%0.26232%0.315SS..G310 helixtrans-63.1-26.8176.2-63.5-179.417100112.3E381 L382 R414E379-E381 PolarHBondContact O-N 3.27Å; E379-L382 VanDerWaalsContact O-CB 3.31Å; E379-L382 WeakPolarHBondContact O-CB 3.44Å; E379-L382 PolarHBondContact O-N 2.84Å; E379-L382 VanDerWaalsContact O-N 3.12Å; E379-R414 VanDerWaalsContact OE1-CD 3.29Å; E379-R414 WeakPolarHBondContact OE1-CD 3.41Å; E379-R414 IonicContact OE1-CZ 2.68Å; E379-R414 IonicContact OE1-NE 3.07Å; E379-R414 IonicContact OE1-NH1 3.52Å; E379-R414 PolarHBondContact OE1-NH1 3.41Å
380Q91.1Very high91.7Very high112 Ų11266.7 Ų66.752%0.52332%0.315SS..G310 helixtrans-65.9-27.5179.3-64.6-179.4-0.300112.5S378 L382 I383 K411S378-Q380 PolarHBondContact O-N 2.9Å; Q380-L382 PolarHBondContact O-N 2.56Å; Q380-I383 WeakPolarHBondContact O-CB 3.45Å; Q380-I383 PolarHBondContact O-N 3.04Å; Q380-K411 PolarHBondContact NE2-O 3.21Å
381E93.1Very high91.9Very high101 Ų10167.8 Ų67.847%0.47232%0.32SS..G310 helixtrans-71.7-12.3177.1-67.8172.9-154.200112.7R334 T376 S378 E379 I383R334-E381 WeakPolarHBondContact CD-O 3.48Å; R334-E381 PolarHBondContact NH1-O 3.19Å; T376-E381 WeakPolarHBondContact CB-OE2 3.38Å; T376-E381 HydrophobicContact CG2-CB 4.17Å; T376-E381 PolarHBondContact OG1-OE1 3.5Å; T376-E381 PolarHBondContact OG1-OE2 3.3Å; S378-E381 VanDerWaalsContact CB-OE1 3.32Å; S378-E381 WeakPolarHBondContact CB-OE1 3.44Å; S378-E381 PolarHBondContact O-N 3.49Å; E379-E381 PolarHBondContact O-N 3.27Å; E381-I383 VanDerWaalsContact C-N 3.3Å
382L95.1Very high92.1Very high2 Ų267.7 Ų67.71%0.0132%0.32CS..G310 helixtrans-84.6-8.2174.7-52.7-179.5000112.4Y333 R334 V367 T376 E379 Q380 S390 L409Y333-L382 HydrophobicContact CD2-CB 4.43Å; Y333-L382 WeakPolarHBondContact CD2-O 3.41Å; Y333-L382 HydrophobicContact CE2-CB 3.92Å; Y333-L382 HydrophobicContact CE2-CD2 4.44Å; R334-L382 PolarHBondContact N-O 3.17Å; R334-L382 VanDerWaalsContact N-O 3.14Å; V367-L382 HydrophobicContact CG1-CD1 4.12Å; V367-L382 HydrophobicContact CG2-CD1 4.03Å; T376-L382 HydrophobicContact CG2-CD2 4.18Å; E379-L382 VanDerWaalsContact O-CB 3.31Å; E379-L382 WeakPolarHBondContact O-CB 3.44Å; E379-L382 PolarHBondContact O-N 2.84Å; E379-L382 VanDerWaalsContact O-N 3.12Å; Q380-L382 PolarHBondContact O-N 2.56Å; L382-S390 PolarHBondContact O-OG 2.93Å; L382-L409 HydrophobicContact CB-CD1 3.65Å; L382-L409 HydrophobicContact CD1-CD1 3.63Å; L382-L409 HydrophobicContact CG-CD1 4.26Å
383I95.6Very high92.5Very high12 Ų1263.7 Ų63.76%0.06231%0.306CS..BIsolated β-bridgetrans-90.1140.3176.6-55.7172.6000108.6Q380 E381 D387 L409 K411Q380-I383 WeakPolarHBondContact O-CB 3.45Å; Q380-I383 PolarHBondContact O-N 3.04Å; E381-I383 VanDerWaalsContact C-N 3.3Å; I383-D387 HydrophobicContact CG2-CB 3.87Å; I383-D387 WeakPolarHBondContact CG2-O 3.49Å; I383-L409 HydrophobicContact CG1-CB 4.38Å; I383-K411 HydrophobicContact CD1-CG 4.43Å
384G92.8Very high92.7Very high3 Ų363.6 Ų63.63%0.03131%0.305CS..  trans-53.2144.6171.600000111.4N332 E386 D387N332-G384 PolarHBondContact O-N 3.48Å; G384-E386 PolarHBondContact O-N 2.71Å; G384-E386 VanDerWaalsContact O-N 3.11Å; G384-D387 PolarHBondContact O-N 2.91Å
385W88.7Confident93.1Very high255 Ų25566.9 Ų66.997%0.96632%0.317SS*.THydrogen-bonded Turntrans-55.1-35.4-170.3-68.386.1000114.2
386E90.6Very high93.2Very high191 Ų19161.2 Ų61.289%0.89330%0.296SS*.THydrogen-bonded Turntrans-101.65.8-177.2-59.8-172.816900112.7G384G384-E386 PolarHBondContact O-N 2.71Å; G384-E386 VanDerWaalsContact O-N 3.11Å
387D94.1Very high92.9Very high27 Ų2762.7 Ų62.714%0.14430%0.301CS..  trans-104.9156-172.8-63.8-69.2000112.6N332 I383 G384 K411N332-D387 HydrophobicContact CB-CB 3.86Å; N332-D387 VanDerWaalsContact CG-CG 3.45Å; N332-D387 VanDerWaalsContact CG-OD1 3.27Å; N332-D387 VanDerWaalsContact ND2-CG 3.35Å; N332-D387 PolarHBondContact ND2-OD1 3.44Å; I383-D387 HydrophobicContact CG2-CB 3.87Å; I383-D387 WeakPolarHBondContact CG2-O 3.49Å; G384-D387 PolarHBondContact O-N 2.91Å; D387-K411 PolarHBondContact O-NZ 2.95Å
388D94Very high92.1Very high111 Ų11159 Ų5959%0.59427%0.268SS*.SBendtrans-96.5-15.6176.8-76.8-35.8000113.5K411D388-K411 IonicContact OD1-NZ 3.35Å; D388-K411 PolarHBondContact OD1-NZ 3.11Å
389F96.9Very high90.7Very high59 Ų5957.9 Ų57.926%0.25926%0.263SS..EExtended strand (participates in β ladder)trans-148.9158.4-178.975.9-84.2000110.9R331 N332 L408 L409 T410R331-F389 HydrophobicContact CG-CE2 4.44Å; N332-F389 WeakPolarHBondContact CB-O 3.27Å; F389-L408 HydrophobicContact CB-CD1 4.35Å; F389-L408 HydrophobicContact CD2-CD1 3.71Å; F389-L408 HydrophobicContact CE2-CD1 4.48Å; F389-L408 HydrophobicContact CG-CD1 4.37Å; F389-L409 CarbonylContact C-O 3.51Å; F389-L409 WeakPolarHBondContact CA-O 3.48Å; F389-L409 WeakPolarHBondContact CB-O 3.31Å; F389-T410 HydrophobicContact CB-CG2 4.15Å
390S97.5Very high89Confident0 Ų060.5 Ų60.50%028%0.283CS..EExtended strand (participates in β ladder)trans-128.9151.1161.767.20000110.6R331 N332 L382 L409R331-S390 CarbonylContact O-C 3.44Å; R331-S390 WeakPolarHBondContact O-CA 3.38Å; N332-S390 WeakPolarHBondContact O-CB 3.4Å; L382-S390 PolarHBondContact O-OG 2.93Å; S390-L409 PolarHBondContact N-O 2.87Å; S390-L409 PolarHBondContact O-N 3.42Å
391Q97.6Very high87.7Confident35 Ų3558.3 Ų58.316%0.16428%0.28CS..EExtended strand (participates in β ladder)trans-130136.2179.7-169.4178.442.900109.8R331 K393 E406 L407 L408R331-Q391 HydrophobicContact CB-CB 4.22Å; R331-Q391 PolarHBondContact N-O 3.35Å; R331-Q391 PolarHBondContact O-N 3.1Å; Q391-K393 HydrophobicContact CG-CG 4.31Å; Q391-E406 HydrophobicContact CG-CG 4.41Å; Q391-E406 PolarHBondContact NE2-OE1 3.11Å; Q391-L407 WeakPolarHBondContact CA-O 3.26Å; Q391-L408 HydrophobicContact CB-CD1 4.23Å; Q391-L408 HydrophobicContact CG-CD1 4.46Å
392I98.1Very high87.2Confident0 Ų057.8 Ų57.80%028%0.277CS..EExtended strand (participates in β ladder)trans-126.1127.4174.8-48.5173.2000106.5L328 E329 L330 Y333 V367 L368 E406 L407L328-I392 HydrophobicContact CD1-CG2 4.12Å; E329-I392 WeakPolarHBondContact O-CA 3.43Å; L330-I392 HydrophobicContact CD2-CB 4.25Å; L330-I392 HydrophobicContact CD2-CG1 4.19Å; L330-I392 HydrophobicContact CD2-CG2 3.68Å; Y333-I392 HydrophobicContact CD2-CD1 3.67Å; Y333-I392 HydrophobicContact CD2-CG1 3.79Å; Y333-I392 HydrophobicContact CE2-CD1 3.46Å; Y333-I392 VanDerWaalsContact CE2-CD1 3.46Å; Y333-I392 HydrophobicContact CE2-CG1 4.12Å; Y333-I392 HydrophobicContact CG-CG1 4.47Å; V367-I392 HydrophobicContact CB-CD1 4.04Å; V367-I392 HydrophobicContact CG1-CD1 3.6Å; L368-I392 HydrophobicContact CB-CG2 3.93Å; L368-I392 HydrophobicContact CD1-CB 4.41Å; L368-I392 HydrophobicContact CD1-CG2 4.01Å; L368-I392 HydrophobicContact CD2-CG2 4.45Å; L368-I392 HydrophobicContact CG-CG2 4.35Å; I392-E406 CarbonylContact O-C 3.48Å; I392-E406 WeakPolarHBondContact O-CA 3.48Å; I392-L407 HydrophobicContact CB-CB 4.48Å; I392-L407 HydrophobicContact CD1-CD2 4.44Å; I392-L407 PolarHBondContact N-O 3.24Å; I392-L407 PolarHBondContact O-N 3.47Å
393K97.8Very high86.7Confident47 Ų4758.4 Ų58.420%0.20428%0.281CS..EExtended strand (participates in β ladder)trans-127.1143.6171.4-59.1-178.3177.4-1750110.3L328 E329 Q391 L405 E406L328-K393 WeakPolarHBondContact CA-O 3.44Å; E329-K393 HydrophobicContact CB-CB 4.19Å; E329-K393 PolarHBondContact N-O 2.97Å; E329-K393 PolarHBondContact O-N 2.91Å; Q391-K393 HydrophobicContact CG-CG 4.31Å; K393-L405 CarbonylContact C-O 3.59Å; K393-L405 VanDerWaalsContact CA-O 3.25Å; K393-L405 WeakPolarHBondContact CA-O 3Å; K393-E406 HydrophobicContact CG-CB 4.13Å; K393-E406 HydrophobicContact CG-CG 3.95Å
394G96.9Very high86.6Confident2 Ų258.9 Ų58.92%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-139.1143.617100000111.6K327 L405K327-G394 CarbonylContact O-C 3.53Å; K327-G394 WeakPolarHBondContact O-CA 3.17Å; G394-L405 PolarHBondContact N-O 3.39Å; G394-L405 PolarHBondContact O-N 3.39Å
395R94.8Very high86.7Confident84 Ų8458.8 Ų58.832%0.31728%0.282SS..EExtended strand (participates in β ladder)trans-107.6123.4172.7-65.4-178177-172.9-1.1109.3N326 K327 E402 L403 E404N326-R395 PolarHBondContact N-O 2.93Å; K327-R395 HydrophobicContact CB-CB 4.07Å; K327-R395 HydrophobicContact CB-CG 4.37Å; K327-R395 PolarHBondContact N-O 3.48Å; K327-R395 PolarHBondContact O-N 2.83Å; R395-E402 HydrophobicContact CB-CG 4.1Å; R395-E402 IonicContact NH1-OE2 3.68Å; R395-L403 WeakPolarHBondContact CA-O 3.48Å; R395-E404 HydrophobicContact CG-CG 4.35Å; R395-E404 IonicContact NE-OE2 2.59Å; R395-E404 PolarHBondContact NE-OE2 2.72Å; R395-E404 IonicContact NH2-OE2 3.95Å
396I90.8Very high87.1Confident2 Ų247.2 Ų47.21%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-117.1122.8-173.3-58.4140.1000107.3E324 L325 R398 E402 L403 L405 L433E324-I396 CarbonylContact O-C 3.54Å; E324-I396 WeakPolarHBondContact O-CA 3.5Å; L325-I396 HydrophobicContact CD1-CG1 4.04Å; I396-R398 HydrophobicContact CG2-CG 4.24Å; I396-R398 PolarHBondContact O-N 2.69Å; I396-E402 WeakPolarHBondContact O-CA 3.26Å; I396-L403 HydrophobicContact CB-CB 4.38Å; I396-L403 HydrophobicContact CD1-CD2 4.3Å; I396-L403 PolarHBondContact N-O 3.16Å; I396-L403 PolarHBondContact O-N 3.23Å; I396-L405 HydrophobicContact CD1-CB 4.3Å; I396-L405 HydrophobicContact CD1-CD1 3.42Å; I396-L405 VanDerWaalsContact CD1-CD1 3.42Å; I396-L405 HydrophobicContact CD1-CG 3.55Å; I396-L433 HydrophobicContact CD1-CB 3.89Å; I396-L433 HydrophobicContact CD1-CD1 4.04Å; I396-L433 HydrophobicContact CD1-CD2 4.17Å; I396-L433 HydrophobicContact CD1-CG 4.25Å; I396-L433 HydrophobicContact CG1-CD1 3.92Å; I396-L433 HydrophobicContact CG1-CD2 4.45Å; I396-L433 HydrophobicContact CG2-CD1 4.25Å
397Q80.7Confident87.4Confident51 Ų5138.1 Ų38.124%0.23820%0.196CC..EExtended strand (participates in β ladder)trans-70.9127.7167.5-162.960.640.300108.3P323 E324 N326 G399 S401P323-Q397 CarbonylContact C-O 3.48Å; P323-Q397 WeakPolarHBondContact CA-O 3.31Å; P323-Q397 VanDerWaalsContact CB-O 3.32Å; P323-Q397 WeakPolarHBondContact CB-O 3.35Å; E324-Q397 PolarHBondContact N-O 2.85Å; E324-Q397 PolarHBondContact O-N 3.4Å; N326-Q397 PolarHBondContact ND2-OE1 3.3Å; Q397-G399 PolarHBondContact NE2-O 3.04Å; Q397-S401 PolarHBondContact NE2-O 3.26Å
398R68.6Low87.5Confident50 Ų5038.7 Ų38.719%0.18920%0.199CC..EExtended strand (participates in β ladder)trans-129.798.3169.1-80.2-169.5159.1178.9-7.6108.1P323 I396 T400 S401 G431 Q432 E630P323-R398 HydrophobicContact CB-CG 4.19Å; I396-R398 HydrophobicContact CG2-CG 4.24Å; I396-R398 PolarHBondContact O-N 2.69Å; R398-T400 PolarHBondContact O-N 3.36Å; R398-S401 CarbonylContact C-O 3.45Å; R398-S401 PolarHBondContact N-O 2.69Å; R398-S401 PolarHBondContact O-N 3.4Å; R398-S401 VanDerWaalsContact O-O 3.09Å; R398-S401 PolarHBondContact O-OG 2.88Å; R398-G431 PolarHBondContact NH2-O 3.24Å; R398-Q432 VanDerWaalsContact NH2-C 3.32Å; R398-Q432 PolarHBondContact NH2-O 3.06Å; R398-E630 IonicContact NE-OE2 3.16Å; R398-E630 IonicContact NH2-OE2 3.37Å
399G60.1Low87.6Confident16 Ų1633.5 Ų33.517%0.16517%0.171CC..THydrogen-bonded Turntrans60.3-120.1-171.300000111.3E321 Q397E321-G399 VanDerWaalsContact CG-CA 3.49Å; E321-G399 VanDerWaalsContact OE1-CA 3.3Å; E321-G399 WeakPolarHBondContact OE1-CA 3.1Å; Q397-G399 PolarHBondContact NE2-O 3.04Å
400T54.3Low87.5Confident110 Ų11032.7 Ų32.768%0.67517%0.171SC*.THydrogen-bonded Turntrans-90.2-13.4171.748.30000114.2M319 R398M319-T400 HydrophobicContact CE-CG2 3.34Å; M319-T400 VanDerWaalsContact CE-OG1 3.23Å; M319-T400 WeakPolarHBondContact CE-OG1 3.16Å; M319-T400 HydrophobicContact SD-CG2 3.25Å; M319-T400 WeakPolarHBondContact SD-CG2 3.48Å; R398-T400 PolarHBondContact O-N 3.36Å
401S64.2Low87.1Confident66 Ų6638.1 Ų38.146%0.46219%0.194SC..EExtended strand (participates in β ladder)trans-85143.6179.970.50000110.7Q397 R398Q397-S401 PolarHBondContact NE2-O 3.26Å; R398-S401 CarbonylContact C-O 3.45Å; R398-S401 PolarHBondContact N-O 2.69Å; R398-S401 PolarHBondContact O-N 3.4Å; R398-S401 VanDerWaalsContact O-O 3.09Å; R398-S401 PolarHBondContact O-OG 2.88Å
402E81.5Confident86.7Confident90 Ų9046.5 Ų46.542%0.42123%0.23SC..EExtended strand (participates in β ladder)trans-101.9130166.5-170.2176.1-117.900108R395 I396R395-E402 HydrophobicContact CB-CG 4.1Å; R395-E402 IonicContact NH1-OE2 3.68Å; I396-E402 WeakPolarHBondContact O-CA 3.26Å
403L85.2Confident86.3Confident16 Ų1647.9 Ų47.98%0.08424%0.244CC..EExtended strand (participates in β ladder)trans-106.5124.3175.2-17476.1000108.7R395 I396 L405 V418 Q432R395-L403 WeakPolarHBondContact CA-O 3.48Å; I396-L403 HydrophobicContact CB-CB 4.38Å; I396-L403 HydrophobicContact CD1-CD2 4.3Å; I396-L403 PolarHBondContact N-O 3.16Å; I396-L403 PolarHBondContact O-N 3.23Å; L403-L405 HydrophobicContact CD2-CD2 4.09Å; L403-L405 HydrophobicContact CD2-CG 4.34Å; L403-L405 HydrophobicContact CG-CD2 4.37Å; L403-V418 HydrophobicContact CD1-CG1 3.47Å; L403-V418 VanDerWaalsContact CD1-CG1 3.47Å; L403-V418 HydrophobicContact CG-CG1 4.23Å; L403-Q432 HydrophobicContact CD2-CB 3.86Å
404E92.9Very high86.1Confident22 Ų2248.9 Ų48.910%0.10325%0.247CC..EExtended strand (participates in β ladder)trans-98.2119.1171.8-166177.198.800110.2R395 V418 N419 H420R395-E404 HydrophobicContact CG-CG 4.35Å; R395-E404 IonicContact NE-OE2 2.59Å; R395-E404 PolarHBondContact NE-OE2 2.72Å; R395-E404 IonicContact NH2-OE2 3.95Å; E404-V418 CarbonylContact O-C 3.54Å; E404-V418 WeakPolarHBondContact O-CA 3.28Å; E404-N419 PolarHBondContact N-OD1 3.35Å; E404-N419 PolarHBondContact O-N 2.74Å; E404-H420 IonicContact OE1-CE1 2.7Å; E404-H420 PolarHBondContact OE1-CE1 3.49Å; E404-H420 IonicContact OE1-ND1 3.67Å; E404-H420 PolarHBondContact OE1-ND1 3.04Å; E404-H420 IonicContact OE1-NE2 2.71Å
405L95.4Very high85.9Confident1 Ų153.6 Ų53.61%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-99.3134.8168.5-64.7-173.1000109.9L368 K393 G394 I396 L403 V418 Y429 Q432 L433L368-L405 HydrophobicContact CD1-CB 3.86Å; L368-L405 HydrophobicContact CD2-CB 4.41Å; L368-L405 HydrophobicContact CG-CB 4.16Å; K393-L405 CarbonylContact C-O 3.59Å; K393-L405 VanDerWaalsContact CA-O 3.25Å; K393-L405 WeakPolarHBondContact CA-O 3Å; G394-L405 PolarHBondContact N-O 3.39Å; G394-L405 PolarHBondContact O-N 3.39Å; I396-L405 HydrophobicContact CD1-CB 4.3Å; I396-L405 HydrophobicContact CD1-CD1 3.42Å; I396-L405 VanDerWaalsContact CD1-CD1 3.42Å; I396-L405 HydrophobicContact CD1-CG 3.55Å; L403-L405 HydrophobicContact CD2-CD2 4.09Å; L403-L405 HydrophobicContact CD2-CG 4.34Å; L403-L405 HydrophobicContact CG-CD2 4.37Å; L405-V418 HydrophobicContact CD2-CB 4.28Å; L405-V418 HydrophobicContact CD2-CG1 4.16Å; L405-V418 HydrophobicContact CD2-CG2 3.71Å; L405-Y429 HydrophobicContact CD2-CE2 3.98Å; L405-Q432 HydrophobicContact CD1-CB 4.05Å; L405-Q432 HydrophobicContact CD2-CB 3.84Å; L405-Q432 HydrophobicContact CD2-CG 4.39Å; L405-L433 HydrophobicContact CD1-CB 3.7Å
406E96.9Very high85.9Confident12 Ų1250.1 Ų50.16%0.05626%0.255CS..EExtended strand (participates in β ladder)trans-131.1134.4173.9176-172.3158.600109.9Q391 I392 K393 S416 K417Q391-E406 HydrophobicContact CG-CG 4.41Å; Q391-E406 PolarHBondContact NE2-OE1 3.11Å; I392-E406 CarbonylContact O-C 3.48Å; I392-E406 WeakPolarHBondContact O-CA 3.48Å; K393-E406 HydrophobicContact CG-CB 4.13Å; K393-E406 HydrophobicContact CG-CG 3.95Å; E406-S416 CarbonylContact O-C 3.58Å; E406-S416 WeakPolarHBondContact O-CA 3.42Å; E406-K417 HydrophobicContact CB-CB 4.25Å; E406-K417 VanDerWaalsContact CD-NZ 3.33Å; E406-K417 PolarHBondContact N-O 3.46Å; E406-K417 PolarHBondContact O-N 2.65Å; E406-K417 IonicContact OE1-NZ 3.94Å; E406-K417 PolarHBondContact OE1-NZ 3.24Å; E406-K417 WeakPolarHBondContact OE2-CD 3.38Å; E406-K417 IonicContact OE2-NZ 3.66Å; E406-K417 PolarHBondContact OE2-NZ 2.82Å; E406-K417 VanDerWaalsContact OE2-NZ 3.16Å
407L96.5Very high86Confident0 Ų052.4 Ų52.40%027%0.265CS..EExtended strand (participates in β ladder)trans-124.4120.5169.9-167.773.6000109.6V367 L368 T371 Q391 I392 L409 K415V367-L407 HydrophobicContact CG1-CD2 3.45Å; V367-L407 VanDerWaalsContact CG1-CD2 3.45Å; L368-L407 HydrophobicContact CD1-CB 4.45Å; T371-L407 HydrophobicContact CG2-CD1 4.13Å; Q391-L407 WeakPolarHBondContact CA-O 3.26Å; I392-L407 HydrophobicContact CB-CB 4.48Å; I392-L407 HydrophobicContact CD1-CD2 4.44Å; I392-L407 PolarHBondContact N-O 3.24Å; I392-L407 PolarHBondContact O-N 3.47Å; L407-L409 HydrophobicContact CD2-CD2 3.87Å; L407-L409 HydrophobicContact CD2-CG 4.25Å; L407-L409 HydrophobicContact CG-CD2 4.02Å; L407-L409 HydrophobicContact CG-CG 4.39Å; L407-K415 WeakPolarHBondContact CA-O 3.12Å
408L96.4Very high86.4Confident39 Ų3950.6 Ų50.620%0.20426%0.258CS..EExtended strand (participates in β ladder)trans-107.6118.9172.7-179.772000109F389 Q391 T410 R414 K415F389-L408 HydrophobicContact CB-CD1 4.35Å; F389-L408 HydrophobicContact CD2-CD1 3.71Å; F389-L408 HydrophobicContact CE2-CD1 4.48Å; F389-L408 HydrophobicContact CG-CD1 4.37Å; Q391-L408 HydrophobicContact CB-CD1 4.23Å; Q391-L408 HydrophobicContact CG-CD1 4.46Å; L408-T410 HydrophobicContact CD2-CG2 4.43Å; L408-T410 HydrophobicContact CG-CG2 4.25Å; L408-R414 CarbonylContact O-C 3.59Å; L408-R414 VanDerWaalsContact O-CA 3.25Å; L408-R414 WeakPolarHBondContact O-CA 3.2Å; L408-K415 HydrophobicContact CB-CB 4.39Å; L408-K415 PolarHBondContact N-O 3.47Å; L408-K415 PolarHBondContact O-N 2.85Å
409L95.8Very high87.2Confident1 Ų151.9 Ų51.91%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-104.3133.1176.6-56.6176.4000109.1L382 I383 F389 S390 L407 R414L382-L409 HydrophobicContact CB-CD1 3.65Å; L382-L409 HydrophobicContact CD1-CD1 3.63Å; L382-L409 HydrophobicContact CG-CD1 4.26Å; I383-L409 HydrophobicContact CG1-CB 4.38Å; F389-L409 CarbonylContact C-O 3.51Å; F389-L409 WeakPolarHBondContact CA-O 3.48Å; F389-L409 WeakPolarHBondContact CB-O 3.31Å; S390-L409 PolarHBondContact N-O 2.87Å; S390-L409 PolarHBondContact O-N 3.42Å; L407-L409 HydrophobicContact CD2-CD2 3.87Å; L407-L409 HydrophobicContact CD2-CG 4.25Å; L407-L409 HydrophobicContact CG-CD2 4.02Å; L407-L409 HydrophobicContact CG-CG 4.39Å; L409-R414 HydrophobicContact CD2-CB 3.57Å
410T94.8Very high88.4Confident43 Ų4357.1 Ų57.126%0.26429%0.288SS..EExtended strand (participates in β ladder)trans-134.5164.717671.90000109.4F389 L408 K412 G413F389-T410 HydrophobicContact CB-CG2 4.15Å; L408-T410 HydrophobicContact CD2-CG2 4.43Å; L408-T410 HydrophobicContact CG-CG2 4.25Å; T410-K412 PolarHBondContact O-N 2.86Å; T410-K412 PolarHBondContact OG1-N 3.09Å; T410-G413 PolarHBondContact N-O 2.69Å; T410-G413 PolarHBondContact O-N 2.72Å; T410-G413 PolarHBondContact OG1-N 3.16Å; T410-G413 PolarHBondContact OG1-O 2.65Å
411K89.5Confident89.8Confident113 Ų11357.4 Ų57.449%0.49128%0.284SS..THydrogen-bonded Turntrans-56.4-21.6173.1-67173.5-179162.50113.8Q380 I383 D387 D388Q380-K411 PolarHBondContact NE2-O 3.21Å; I383-K411 HydrophobicContact CD1-CG 4.43Å; D387-K411 PolarHBondContact O-NZ 2.95Å; D388-K411 IonicContact OD1-NZ 3.35Å; D388-K411 PolarHBondContact OD1-NZ 3.11Å
412K89.9Confident91.1Very high212 Ų21258.8 Ų58.892%0.92228%0.283SS*.THydrogen-bonded Turntrans-91.5-8.6179.5-64.4-177.5-179.4176.80114T410T410-K412 PolarHBondContact O-N 2.86Å; T410-K412 PolarHBondContact OG1-N 3.09Å
413G89.7Confident91.4Very high28 Ų2856.5 Ų56.529%0.28927%0.273SS..EExtended strand (participates in β ladder)trans132.2-170.1-175.700000112.3T410T410-G413 PolarHBondContact N-O 2.69Å; T410-G413 PolarHBondContact O-N 2.72Å; T410-G413 PolarHBondContact OG1-N 3.16Å; T410-G413 PolarHBondContact OG1-O 2.65Å
414R92.4Very high91.3Very high69 Ų6965.3 Ų65.326%0.2631%0.31SS..EExtended strand (participates in β ladder)trans-112.3155.7-17466.6-177.5178.8-161.223.1113.7T371 E379 L408 L409T371-R414 PolarHBondContact O-NH1 3.14Å; T371-R414 PolarHBondContact OG1-NH1 3.24Å; T371-R414 PolarHBondContact OG1-NH2 3.38Å; E379-R414 VanDerWaalsContact OE1-CD 3.29Å; E379-R414 WeakPolarHBondContact OE1-CD 3.41Å; E379-R414 IonicContact OE1-CZ 2.68Å; E379-R414 IonicContact OE1-NE 3.07Å; E379-R414 IonicContact OE1-NH1 3.52Å; E379-R414 PolarHBondContact OE1-NH1 3.41Å; L408-R414 CarbonylContact O-C 3.59Å; L408-R414 VanDerWaalsContact O-CA 3.25Å; L408-R414 WeakPolarHBondContact O-CA 3.2Å; L409-R414 HydrophobicContact CD2-CB 3.57Å
415K93.7Very high90.5Very high101 Ų10170.9 Ų70.944%0.43933%0.334SS..EExtended strand (participates in β ladder)trans-128.5127.5166.9-63.1-173.2173.7-162.30109.6L407 L408 E422L407-K415 WeakPolarHBondContact CA-O 3.12Å; L408-K415 HydrophobicContact CB-CB 4.39Å; L408-K415 PolarHBondContact N-O 3.47Å; L408-K415 PolarHBondContact O-N 2.85Å; K415-E422 IonicContact NZ-OE2 2.82Å
416S94.6Very high89.8Confident11 Ų1172.7 Ų72.78%0.07734%0.344CS..EExtended strand (participates in β ladder)trans-110.6131.2178.344.80000109.5E406 Q423E406-S416 CarbonylContact O-C 3.58Å; E406-S416 WeakPolarHBondContact O-CA 3.42Å; S416-Q423 PolarHBondContact O-N 3.13Å; S416-Q423 PolarHBondContact OG-O 3.06Å
417K92.3Very high88.9Confident49 Ų4973.7 Ų73.721%0.21335%0.352CS..EExtended strand (participates in β ladder)trans-128.5146.6178.1-53.5174.1-171.4156.10111.4E406 I421 E422 Y429E406-K417 HydrophobicContact CB-CB 4.25Å; E406-K417 VanDerWaalsContact CD-NZ 3.33Å; E406-K417 PolarHBondContact N-O 3.46Å; E406-K417 PolarHBondContact O-N 2.65Å; E406-K417 IonicContact OE1-NZ 3.94Å; E406-K417 PolarHBondContact OE1-NZ 3.24Å; E406-K417 WeakPolarHBondContact OE2-CD 3.38Å; E406-K417 IonicContact OE2-NZ 3.66Å; E406-K417 PolarHBondContact OE2-NZ 2.82Å; E406-K417 VanDerWaalsContact OE2-NZ 3.16Å; K417-I421 CarbonylContact C-O 3.53Å; K417-I421 WeakPolarHBondContact CA-O 3.49Å; K417-E422 HydrophobicContact CG-CB 4.38Å; K417-Y429 WeakPolarHBondContact O-CE2 3.25Å
418V89.4Confident88Confident14 Ų1476 Ų769%0.08537%0.368CS..EExtended strand (participates in β ladder)trans-121.7123.9171.3-177.70000106.5L403 E404 L405 H420 I421 Q423 Y429 Q432L403-V418 HydrophobicContact CD1-CG1 3.47Å; L403-V418 VanDerWaalsContact CD1-CG1 3.47Å; L403-V418 HydrophobicContact CG-CG1 4.23Å; E404-V418 CarbonylContact O-C 3.54Å; E404-V418 WeakPolarHBondContact O-CA 3.28Å; L405-V418 HydrophobicContact CD2-CB 4.28Å; L405-V418 HydrophobicContact CD2-CG1 4.16Å; L405-V418 HydrophobicContact CD2-CG2 3.71Å; V418-H420 PolarHBondContact O-N 3.27Å; V418-I421 PolarHBondContact N-O 3.05Å; V418-I421 WeakPolarHBondContact O-CB 3.47Å; V418-I421 PolarHBondContact O-N 2.68Å; V418-Q423 HydrophobicContact CB-CG 4.24Å; V418-Q423 HydrophobicContact CG2-CG 3.62Å; V418-Y429 HydrophobicContact CG2-CD2 3.72Å; V418-Y429 HydrophobicContact CG2-CE2 4.24Å; V418-Q432 HydrophobicContact CG2-CG 4.19Å
419N86.1Confident87.6Confident76 Ų7674.1 Ų74.141%0.40636%0.358SS..THydrogen-bonded Turntrans47.346.7-174.7-66.5-15.4000112.2E404 I421E404-N419 PolarHBondContact N-OD1 3.35Å; E404-N419 PolarHBondContact O-N 2.74Å; N419-I421 PolarHBondContact O-N 2.81Å; N419-I421 VanDerWaalsContact O-N 3.1Å
420H84.9Confident87.2Confident127 Ų12774.8 Ų74.859%0.58836%0.362SS*.THydrogen-bonded Turntrans66.1-1.6-176.5-43.3-64.6000116.8E404 V418E404-H420 IonicContact OE1-CE1 2.7Å; E404-H420 PolarHBondContact OE1-CE1 3.49Å; E404-H420 IonicContact OE1-ND1 3.67Å; E404-H420 PolarHBondContact OE1-ND1 3.04Å; E404-H420 IonicContact OE1-NE2 2.71Å; V418-H420 PolarHBondContact O-N 3.27Å
421I83.8Confident86.7Confident116 Ų11673.7 Ų73.760%0.59536%0.358SS*.EExtended strand (participates in β ladder)trans-89.8122177-59.5172000109.9K417 V418 N419 Q423K417-I421 CarbonylContact C-O 3.53Å; K417-I421 WeakPolarHBondContact CA-O 3.49Å; V418-I421 PolarHBondContact N-O 3.05Å; V418-I421 WeakPolarHBondContact O-CB 3.47Å; V418-I421 PolarHBondContact O-N 2.68Å; N419-I421 PolarHBondContact O-N 2.81Å; N419-I421 VanDerWaalsContact O-N 3.1Å; I421-Q423 PolarHBondContact O-N 2.6Å; I421-Q423 PolarHBondContact O-NE2 3.43Å; I421-Q423 VanDerWaalsContact O-NE2 3.15Å
422E90.8Very high86.6Confident95 Ų9570.8 Ų70.844%0.44435%0.347SS..EExtended strand (participates in β ladder)trans-66.5124.2179.4-173175.8153.900112K415 K417K415-E422 IonicContact NZ-OE2 2.82Å; K417-E422 HydrophobicContact CG-CB 4.38Å
423Q87.8Confident86.6Confident42 Ų4261.1 Ų61.120%0.19631%0.305CS..  trans-94.4108178.6-58.5-53.9-41.200110.4S416 V418 I421 Y429S416-Q423 PolarHBondContact O-N 3.13Å; S416-Q423 PolarHBondContact OG-O 3.06Å; V418-Q423 HydrophobicContact CB-CG 4.24Å; V418-Q423 HydrophobicContact CG2-CG 3.62Å; I421-Q423 PolarHBondContact O-N 2.6Å; I421-Q423 PolarHBondContact O-NE2 3.43Å; I421-Q423 VanDerWaalsContact O-NE2 3.15Å; Q423-Y429 HydrophobicContact CG-CD2 4.28Å
424K82.9Confident86.7Confident200 Ų20060.2 Ų60.287%0.8729%0.294SS*.SBendtrans-72.5-30.8178.6-66-176.8-178.8175.60113.2
425K75.9Confident86.8Confident139 Ų13957 Ų5760%0.60428%0.281SS*.SBendtrans-102.7132.6-178.7-66.3179.9-177.2174.60109.4S427 S428K425-S427 PolarHBondContact O-N 3.42Å; K425-S428 WeakPolarHBondContact O-CB 3.4Å; K425-S428 PolarHBondContact O-N 3.12Å; K425-S428 VanDerWaalsContact O-N 3.09Å
426L81.7Confident86.8Confident40 Ų4052.2 Ų52.221%0.20926%0.261CS..G310 helixtrans-61.6-36178-172.462000112.2T371 S428 Y429 I430 L469T371-L426 HydrophobicContact CG2-CD1 3.73Å; T371-L426 VanDerWaalsContact OG1-CD1 3.27Å; T371-L426 WeakPolarHBondContact OG1-CD1 3.31Å; L426-S428 PolarHBondContact O-N 2.92Å; L426-Y429 PolarHBondContact O-N 3.36Å; L426-I430 HydrophobicContact CD1-CD1 3.65Å; L426-I430 HydrophobicContact CD1-CG1 3.72Å; L426-I430 HydrophobicContact CD2-CD1 3.7Å; L426-I430 HydrophobicContact CG-CD1 3.48Å; L426-I430 VanDerWaalsContact CG-CD1 3.48Å; L426-I430 HydrophobicContact CG-CG1 3.83Å; L426-I430 PolarHBondContact O-N 2.95Å; L426-L469 HydrophobicContact CD2-CD2 4.34Å; L426-L469 HydrophobicContact CG-CD2 4.18Å
427S77.7Confident86.8Confident33 Ų3352.1 Ų52.123%0.23126%0.259CS..G310 helixtrans-65.5-13.7176.861.60000114.3K425K425-S427 PolarHBondContact O-N 3.42Å
428S77.1Confident86.8Confident48 Ų4849.8 Ų49.834%0.33625%0.249SC..G310 helixtrans-91-11.6174.5-58.10000112.4K425 L426 Q432K425-S428 WeakPolarHBondContact O-CB 3.4Å; K425-S428 PolarHBondContact O-N 3.12Å; K425-S428 VanDerWaalsContact O-N 3.09Å; L426-S428 PolarHBondContact O-N 2.92Å; S428-Q432 PolarHBondContact O-NE2 3.39Å
429Y88.4Confident86.9Confident0 Ų049.3 Ų49.30%025%0.247CC..THydrogen-bonded Turntrans-111-44.5-177.3-176.5-87.6000112.7L368 T371 L405 K417 V418 Q423 L426 Q432L368-Y429 WeakPolarHBondContact O-CE1 3.38Å; L368-Y429 PolarHBondContact O-OH 3.28Å; T371-Y429 HydrophobicContact CG2-CD1 3.42Å; T371-Y429 VanDerWaalsContact CG2-CD1 3.42Å; T371-Y429 HydrophobicContact CG2-CE1 3.44Å; T371-Y429 VanDerWaalsContact CG2-CE1 3.44Å; T371-Y429 HydrophobicContact CG2-CG 4.39Å; L405-Y429 HydrophobicContact CD2-CE2 3.98Å; K417-Y429 WeakPolarHBondContact O-CE2 3.25Å; V418-Y429 HydrophobicContact CG2-CD2 3.72Å; V418-Y429 HydrophobicContact CG2-CE2 4.24Å; Q423-Y429 HydrophobicContact CG-CD2 4.28Å; L426-Y429 PolarHBondContact O-N 3.36Å; Y429-Q432 WeakPolarHBondContact O-CB 3.42Å; Y429-Q432 WeakPolarHBondContact O-CG 3.4Å; Y429-Q432 PolarHBondContact O-N 3.36Å
430I87.2Confident87Confident15 Ų1548.2 Ų48.28%0.07724%0.244CC..THydrogen-bonded Turntrans-66.9138.3175.8-66.5-171000109.2L370 L426 G462 L469L370-I430 HydrophobicContact CD2-CG2 4.24Å; L426-I430 HydrophobicContact CD1-CD1 3.65Å; L426-I430 HydrophobicContact CD1-CG1 3.72Å; L426-I430 HydrophobicContact CD2-CD1 3.7Å; L426-I430 HydrophobicContact CG-CD1 3.48Å; L426-I430 VanDerWaalsContact CG-CD1 3.48Å; L426-I430 HydrophobicContact CG-CG1 3.83Å; L426-I430 PolarHBondContact O-N 2.95Å; I430-G462 WeakPolarHBondContact CG2-O 3.45Å; I430-L469 HydrophobicContact CB-CD2 4.12Å; I430-L469 HydrophobicContact CD1-CD2 3.93Å; I430-L469 HydrophobicContact CG1-CD2 4.43Å; I430-L469 HydrophobicContact CG2-CD2 4.36Å
431G84.9Confident87.1Confident19 Ų1946.8 Ų46.820%0.19624%0.237CC..THydrogen-bonded Turntrans95.2-8.4-174.800000114R398 L433R398-G431 PolarHBondContact NH2-O 3.24Å; G431-L433 VanDerWaalsContact C-N 3.31Å
432Q86.8Confident87.3Confident52 Ų5243 Ų4324%0.24322%0.218CC..SBendtrans-74.7-24.3172.6-61-60.6-12.500112.8R398 L403 L405 V418 S428 Y429R398-Q432 VanDerWaalsContact NH2-C 3.32Å; R398-Q432 PolarHBondContact NH2-O 3.06Å; L403-Q432 HydrophobicContact CD2-CB 3.86Å; L405-Q432 HydrophobicContact CD1-CB 4.05Å; L405-Q432 HydrophobicContact CD2-CB 3.84Å; L405-Q432 HydrophobicContact CD2-CG 4.39Å; V418-Q432 HydrophobicContact CG2-CG 4.19Å; S428-Q432 PolarHBondContact O-NE2 3.39Å; Y429-Q432 WeakPolarHBondContact O-CB 3.42Å; Y429-Q432 WeakPolarHBondContact O-CG 3.4Å; Y429-Q432 PolarHBondContact O-N 3.36Å
433L90.5Very high87Confident9 Ų939.1 Ų39.15%0.04720%0.201CC..SBendtrans-139.4119.3169.2-179.460.7000106.8L368 A369 I396 L405 G431 V435 I633L368-L433 HydrophobicContact CD2-CD2 4.36Å; A369-L433 HydrophobicContact CB-CB 4.21Å; A369-L433 HydrophobicContact CB-CD2 4.18Å; A369-L433 HydrophobicContact CB-CG 4.17Å; A369-L433 WeakPolarHBondContact CB-O 3.29Å; I396-L433 HydrophobicContact CD1-CB 3.89Å; I396-L433 HydrophobicContact CD1-CD1 4.04Å; I396-L433 HydrophobicContact CD1-CD2 4.17Å; I396-L433 HydrophobicContact CD1-CG 4.25Å; I396-L433 HydrophobicContact CG1-CD1 3.92Å; I396-L433 HydrophobicContact CG1-CD2 4.45Å; I396-L433 HydrophobicContact CG2-CD1 4.25Å; L405-L433 HydrophobicContact CD1-CB 3.7Å; G431-L433 VanDerWaalsContact C-N 3.31Å; L433-V435 HydrophobicContact CD2-CG1 4.27Å; L433-V435 HydrophobicContact CG-CG1 4Å; L433-I633 HydrophobicContact CD1-CD1 3.64Å; L433-I633 HydrophobicContact CD1-CG1 4.33Å
434N91.1Very high87Confident10 Ų1038.3 Ų38.35%0.05320%0.2CC..  trans-96.1126.9179.4-76-18.6000109.4M624 P632 I633N434-M624 HydrophobicContact CB-SD 3.59Å; N434-M624 VanDerWaalsContact CB-SD 3.59Å; N434-P632 HydrophobicContact CB-CB 4.25Å; N434-P632 WeakPolarHBondContact O-CA 3.48Å; N434-I633 PolarHBondContact O-N 3.48Å
435V94.3Very high87.5Confident0 Ų029.2 Ų29.20%016%0.16CC..EExtended strand (participates in β ladder)trans-134142.3-177.3-58.30000111.2I365 Y366 A369 L370 L433 Q463 I633 L635I365-V435 HydrophobicContact CG2-CG1 4.34Å; Y366-V435 HydrophobicContact CD2-CG2 4.01Å; A369-V435 HydrophobicContact CB-CB 4.15Å; A369-V435 HydrophobicContact CB-CG1 3.54Å; A369-V435 HydrophobicContact CB-CG2 3.45Å; A369-V435 VanDerWaalsContact CB-CG2 3.45Å; L370-V435 HydrophobicContact CD1-CG2 4.29Å; L370-V435 HydrophobicContact CG-CG2 4.31Å; L433-V435 HydrophobicContact CD2-CG1 4.27Å; L433-V435 HydrophobicContact CG-CG1 4Å; V435-Q463 PolarHBondContact O-NE2 3.42Å; V435-Q463 PolarHBondContact O-OE1 3.49Å; V435-Q463 VanDerWaalsContact O-OE1 3.13Å; V435-I633 CarbonylContact C-O 3.47Å; V435-I633 VanDerWaalsContact CA-O 3.3Å; V435-I633 WeakPolarHBondContact CA-O 3.29Å; V435-I633 HydrophobicContact CG1-CB 4.27Å; V435-L635 HydrophobicContact CB-CD1 4.47Å
436I94Very high88.3Confident1 Ų122.6 Ų22.61%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-115.2121.4166.1-65.9169000107E620 I621 P632 I633 L634 L635I436-E620 HydrophobicContact CD1-CB 3.45Å; I436-E620 VanDerWaalsContact CD1-CB 3.45Å; I436-E620 HydrophobicContact CG1-CB 4.16Å; I436-I621 HydrophobicContact CD1-CB 4.29Å; I436-I621 HydrophobicContact CD1-CG1 3.63Å; I436-P632 HydrophobicContact CD1-CB 4.14Å; I436-P632 HydrophobicContact CD1-CG 3.38Å; I436-P632 HydrophobicContact CG1-CB 4.08Å; I436-P632 HydrophobicContact CG1-CG 3.89Å; I436-I633 PolarHBondContact N-O 2.96Å; I436-L634 HydrophobicContact CB-CD1 4.05Å; I436-L634 HydrophobicContact CG2-CD1 3.88Å; I436-L635 PolarHBondContact O-N 3.11Å
437L94.1Very high88.7Confident9 Ų926.7 Ų26.75%0.04715%0.148CC..EExtended strand (participates in β ladder)trans-96.5134.4168.5176.667.9000109.4Y366 H374 A439 K617 L635 D637Y366-L437 HydrophobicContact CD2-CB 3.63Å; Y366-L437 HydrophobicContact CD2-CD2 3.99Å; Y366-L437 HydrophobicContact CD2-CG 4.44Å; Y366-L437 HydrophobicContact CE2-CB 3.79Å; Y366-L437 HydrophobicContact CE2-CD2 4.16Å; Y366-L437 HydrophobicContact CG-CD2 4.33Å; H374-L437 HydrophobicContact CB-CD2 3.84Å; H374-L437 VanDerWaalsContact CD2-CD2 3.47Å; H374-L437 WeakPolarHBondContact CD2-CD2 3.33Å; H374-L437 VanDerWaalsContact CE1-CD2 3.47Å; H374-L437 WeakPolarHBondContact CE1-CD2 3.41Å; H374-L437 VanDerWaalsContact ND1-CD2 3.28Å; H374-L437 WeakPolarHBondContact ND1-CD2 3.29Å; L437-A439 HydrophobicContact CG-CB 4.36Å; L437-K617 WeakPolarHBondContact O-CE 3.39Å; L437-K617 PolarHBondContact O-NZ 3.39Å; L437-K617 VanDerWaalsContact O-NZ 3.12Å; L437-L635 CarbonylContact C-O 3.53Å; L437-L635 WeakPolarHBondContact CA-O 3.38Å; L437-L635 HydrophobicContact CB-CB 4.48Å; L437-L635 HydrophobicContact CD1-CB 3.71Å; L437-D637 HydrophobicContact CD1-CB 4.28Å
438F93.3Very high89.3Confident1 Ų125.7 Ų25.70%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-123.8105.3167.5-172.5-152.6000109.9D442 L443 L614 K617 L635 L636 D637 V639F438-D442 WeakPolarHBondContact CA-OD2 3.38Å; F438-D442 HydrophobicContact CD2-CB 3.76Å; F438-D442 HydrophobicContact CE2-CB 3.93Å; F438-L443 HydrophobicContact CE2-CD2 4.11Å; F438-L443 HydrophobicContact CZ-CD2 3.91Å; F438-L614 HydrophobicContact CD1-CD1 4.36Å; F438-L614 HydrophobicContact CE1-CD1 3.35Å; F438-L614 HydrophobicContact CZ-CB 4.45Å; F438-L614 HydrophobicContact CZ-CD1 3.77Å; F438-K617 HydrophobicContact CD2-CB 4.09Å; F438-K617 HydrophobicContact CD2-CG 3.8Å; F438-K617 HydrophobicContact CE2-CB 4.23Å; F438-K617 HydrophobicContact CE2-CG 3.93Å; F438-K617 HydrophobicContact CG-CB 4.4Å; F438-L635 PolarHBondContact N-O 3.35Å; F438-L636 HydrophobicContact CB-CD2 3.87Å; F438-L636 HydrophobicContact CD1-CD2 4Å; F438-L636 HydrophobicContact CG-CD2 4.45Å; F438-D637 PolarHBondContact O-N 3.4Å; F438-V639 HydrophobicContact CD1-CB 4.31Å; F438-V639 HydrophobicContact CD1-CG1 3.84Å; F438-V639 HydrophobicContact CD1-CG2 3.79Å; F438-V639 HydrophobicContact CD2-CG2 4.23Å; F438-V639 HydrophobicContact CE1-CB 4.39Å; F438-V639 HydrophobicContact CE1-CG1 4.14Å; F438-V639 HydrophobicContact CE1-CG2 3.45Å; F438-V639 VanDerWaalsContact CE1-CG2 3.45Å; F438-V639 HydrophobicContact CE2-CG2 3.96Å; F438-V639 HydrophobicContact CG-CG1 4.43Å; F438-V639 HydrophobicContact CG-CG2 4.16Å; F438-V639 HydrophobicContact CZ-CG2 3.56Å
439A91.4Very high90Very high3 Ų325.8 Ų25.83%0.02514%0.143CC..  trans-115.3166.2-179.400000110.8L437 E441 D442 D637L437-A439 HydrophobicContact CG-CB 4.36Å; A439-E441 HydrophobicContact CB-CG 4.01Å; A439-E441 PolarHBondContact O-N 3.45Å; A439-E441 VanDerWaalsContact O-N 3.12Å; A439-D442 PolarHBondContact N-OD2 3.37Å; A439-D442 WeakPolarHBondContact O-CB 3.15Å; A439-D442 PolarHBondContact O-N 2.83Å; A439-D637 HydrophobicContact CB-CB 4.43Å
440P87.5Confident90.4Very high54 Ų5428.2 Ų28.235%0.35116%0.159SC..G310 helixtrans-61.8-26.4-178.1-24.437.1000113.2D442 L443 D637 E642P440-D442 VanDerWaalsContact C-N 3.26Å; P440-D442 PolarHBondContact O-N 3.16Å; P440-L443 WeakPolarHBondContact O-CB 3.35Å; P440-L443 PolarHBondContact O-N 3.39Å; P440-D637 VanDerWaalsContact CD-O 3.31Å; P440-D637 WeakPolarHBondContact CD-O 3.35Å; P440-E642 HydrophobicContact CB-CG 4.42Å
441E87.1Confident90.7Very high97 Ų9734.1 Ų34.145%0.45319%0.186SC..G310 helixtrans-65.3-27.217554.4177.3-160.600113.2H374 A439 L443 S444H374-E441 IonicContact CD2-OE1 3.02Å; H374-E441 PolarHBondContact CD2-OE1 3.28Å; A439-E441 HydrophobicContact CB-CG 4.01Å; A439-E441 PolarHBondContact O-N 3.45Å; A439-E441 VanDerWaalsContact O-N 3.12Å; E441-L443 PolarHBondContact O-N 3Å; E441-S444 WeakPolarHBondContact O-CA 3.43Å; E441-S444 VanDerWaalsContact O-CB 3.23Å; E441-S444 WeakPolarHBondContact O-CB 3.4Å; E441-S444 PolarHBondContact O-N 3.07Å; E441-S444 PolarHBondContact O-OG 3.38Å
442D88.8Confident91Very high35 Ų3536.8 Ų36.819%0.18720%0.195CC..G310 helixtrans-70.3-22.4177.8-63.4-47.9000112.5F438 A439 P440 S444 L445 K617F438-D442 WeakPolarHBondContact CA-OD2 3.38Å; F438-D442 HydrophobicContact CD2-CB 3.76Å; F438-D442 HydrophobicContact CE2-CB 3.93Å; A439-D442 PolarHBondContact N-OD2 3.37Å; A439-D442 WeakPolarHBondContact O-CB 3.15Å; A439-D442 PolarHBondContact O-N 2.83Å; P440-D442 VanDerWaalsContact C-N 3.26Å; P440-D442 PolarHBondContact O-N 3.16Å; D442-S444 PolarHBondContact O-N 3.19Å; D442-L445 WeakPolarHBondContact O-CB 3.29Å; D442-L445 PolarHBondContact O-N 3.43Å; D442-K617 HydrophobicContact CB-CD 4.05Å; D442-K617 HydrophobicContact CB-CG 4.09Å
443L84.9Confident91.5Very high15 Ų1534.4 Ų34.48%0.07918%0.183CC..G310 helixtrans-62.4-14.5169.1-62.1176.5000112F438 P440 E441 R610 A613 E642F438-L443 HydrophobicContact CE2-CD2 4.11Å; F438-L443 HydrophobicContact CZ-CD2 3.91Å; P440-L443 WeakPolarHBondContact O-CB 3.35Å; P440-L443 PolarHBondContact O-N 3.39Å; E441-L443 PolarHBondContact O-N 3Å; L443-R610 HydrophobicContact CD2-CB 4.42Å; L443-R610 HydrophobicContact CD2-CG 4.37Å; L443-A613 HydrophobicContact CD2-CB 4.4Å; L443-E642 HydrophobicContact CD1-CB 3.57Å; L443-E642 HydrophobicContact CD1-CG 4.09Å
444S87.4Confident91.7Very high25 Ų2536.1 Ų36.118%0.17519%0.189CC..G310 helixtrans-88.1-4.4172.2820000114.5E441 D442 V446 K447 G448 M452E441-S444 WeakPolarHBondContact O-CA 3.43Å; E441-S444 VanDerWaalsContact O-CB 3.23Å; E441-S444 WeakPolarHBondContact O-CB 3.4Å; E441-S444 PolarHBondContact O-N 3.07Å; E441-S444 PolarHBondContact O-OG 3.38Å; D442-S444 PolarHBondContact O-N 3.19Å; S444-V446 PolarHBondContact O-N 2.83Å; S444-V446 VanDerWaalsContact O-N 3.13Å; S444-K447 PolarHBondContact O-N 2.89Å; S444-G448 WeakPolarHBondContact O-CA 3.45Å; S444-G448 PolarHBondContact O-N 3.23Å; S444-M452 VanDerWaalsContact OG-CE 3.24Å; S444-M452 WeakPolarHBondContact OG-CE 3.47Å
445L92.7Very high91.8Very high8 Ų841.1 Ų41.14%0.04221%0.207CC..THydrogen-bonded Turntrans-50.6-42.9-177.9-177.466.2000112.5D442 R453 F456 F593 V616D442-L445 WeakPolarHBondContact O-CB 3.29Å; D442-L445 PolarHBondContact O-N 3.43Å; L445-R453 HydrophobicContact CD1-CG 3.83Å; L445-R453 HydrophobicContact CG-CG 4.43Å; L445-R453 WeakPolarHBondContact O-CD 3.35Å; L445-R453 WeakPolarHBondContact O-CG 3.43Å; L445-R453 PolarHBondContact O-NH1 2.83Å; L445-F456 HydrophobicContact CD1-CB 3.83Å; L445-F456 HydrophobicContact CD1-CD1 4.09Å; L445-F456 HydrophobicContact CD1-CG 3.92Å; L445-F456 HydrophobicContact CD2-CD1 4.28Å; L445-F456 HydrophobicContact CD2-CE1 4.37Å; L445-F456 HydrophobicContact CD2-CG 4.41Å; L445-F593 HydrophobicContact CD2-CZ 4.44Å; L445-F593 HydrophobicContact CG-CZ 4.36Å; L445-V616 HydrophobicContact CD2-CB 4.41Å; L445-V616 HydrophobicContact CD2-CG1 3.82Å
446V92.9Very high91.8Very high0 Ų041.8 Ų41.80%021%0.21CC..THydrogen-bonded Turntrans-73.9-48.5-179-1790000112.2S444 G448 R453 F593 V600 Q601 Q609 T612 A613S444-V446 PolarHBondContact O-N 2.83Å; S444-V446 VanDerWaalsContact O-N 3.13Å; V446-G448 VanDerWaalsContact C-N 3.29Å; V446-G448 PolarHBondContact O-N 3.11Å; V446-R453 PolarHBondContact O-NH1 2.85Å; V446-F593 HydrophobicContact CB-CD2 4.24Å; V446-F593 HydrophobicContact CG1-CB 4.42Å; V446-F593 HydrophobicContact CG1-CD2 4.07Å; V446-F593 HydrophobicContact CG2-CD2 4.03Å; V446-F593 HydrophobicContact CG2-CE2 4.24Å; V446-F593 HydrophobicContact CG2-CG 4.4Å; V446-V600 HydrophobicContact CG1-CB 3.95Å; V446-V600 HydrophobicContact CG1-CG1 3.8Å; V446-Q601 WeakPolarHBondContact O-CG 3.04Å; V446-Q609 HydrophobicContact CG1-CG 4.27Å; V446-T612 HydrophobicContact CG2-CG2 3.6Å; V446-A613 HydrophobicContact CG2-CB 4.11Å
447K90.7Very high91.8Very high126 Ų12641.8 Ų41.855%0.54821%0.21SC..THydrogen-bonded Turntrans-79.2-13.3-179.265.8177.8178.8-176.40113.9S444S444-K447 PolarHBondContact O-N 2.89Å
448G89.5Confident91.8Very high12 Ų1242.7 Ų42.712%0.12422%0.215CC..SBendtrans-72-175.6-165.600000115S444 V446 R453 Q601S444-G448 WeakPolarHBondContact O-CA 3.45Å; S444-G448 PolarHBondContact O-N 3.23Å; V446-G448 VanDerWaalsContact C-N 3.29Å; V446-G448 PolarHBondContact O-N 3.11Å; G448-R453 PolarHBondContact O-NH1 3.05Å; G448-Q601 PolarHBondContact O-NE2 3.06Å
449S93.3Very high91.7Very high51 Ų5144.6 Ų44.636%0.35723%0.225SC..  trans-77.8154.9174.274.80000111Q451 M452 R453S449-Q451 PolarHBondContact O-N 2.95Å; S449-Q451 VanDerWaalsContact O-N 3.07Å; S449-M452 PolarHBondContact O-N 2.98Å; S449-R453 PolarHBondContact O-N 3.18Å
450P95.3Very high91.7Very high50 Ų5045.1 Ų45.133%0.32523%0.226SC..Hα-helixtrans-54.8-28.2172.9-25.632.7000113.4R453 R454 D590P450-R453 PolarHBondContact O-N 2.93Å; P450-R454 WeakPolarHBondContact O-CG 3.45Å; P450-R454 PolarHBondContact O-N 3.24Å; P450-D590 WeakPolarHBondContact CA-OD1 3.32Å; P450-D590 HydrophobicContact CB-CB 4.29Å; P450-D590 WeakPolarHBondContact CB-OD2 3.49Å; P450-D590 VanDerWaalsContact CG-OD2 3.3Å; P450-D590 WeakPolarHBondContact CG-OD2 3.41Å
451Q94Very high92Very high140 Ų14042.9 Ų42.965%0.65421%0.212SC*.Hα-helixtrans-65.5-37.9177.7-175.6176.79.100112.3S449 R455S449-Q451 PolarHBondContact O-N 2.95Å; S449-Q451 VanDerWaalsContact O-N 3.07Å; Q451-R455 WeakPolarHBondContact O-CB 3.34Å; Q451-R455 PolarHBondContact O-N 3.23Å
452M92.2Very high92.1Very high75 Ų7538.5 Ų38.537%0.36919%0.192SC..Hα-helixtrans-66.6-43.2176.9-64.4-161.5-59.700110.9S444 S449 R455 F456S444-M452 VanDerWaalsContact OG-CE 3.24Å; S444-M452 WeakPolarHBondContact OG-CE 3.47Å; S449-M452 PolarHBondContact O-N 2.98Å; M452-R455 PolarHBondContact O-N 3.2Å; M452-F456 WeakPolarHBondContact O-CB 3.23Å; M452-F456 PolarHBondContact O-N 3.1Å
453R95.7Very high92.1Very high2 Ų237 Ų371%0.00818%0.184CC..Hα-helixtrans-65.9-39177.5-67.8-177.6-63.6-1006.7113.1L445 V446 G448 S449 P450 F456 I457 D590 L591 F593L445-R453 HydrophobicContact CD1-CG 3.83Å; L445-R453 HydrophobicContact CG-CG 4.43Å; L445-R453 WeakPolarHBondContact O-CD 3.35Å; L445-R453 WeakPolarHBondContact O-CG 3.43Å; L445-R453 PolarHBondContact O-NH1 2.83Å; V446-R453 PolarHBondContact O-NH1 2.85Å; G448-R453 PolarHBondContact O-NH1 3.05Å; S449-R453 PolarHBondContact O-N 3.18Å; P450-R453 PolarHBondContact O-N 2.93Å; R453-F456 WeakPolarHBondContact O-CB 3.36Å; R453-F456 PolarHBondContact O-N 3.15Å; R453-I457 WeakPolarHBondContact O-CG1 3.38Å; R453-I457 PolarHBondContact O-N 2.79Å; R453-I457 VanDerWaalsContact O-N 3.08Å; R453-D590 IonicContact CZ-OD1 3.72Å; R453-D590 VanDerWaalsContact CZ-OD1 3.26Å; R453-D590 IonicContact CZ-OD2 2.61Å; R453-D590 IonicContact NE-OD1 3.17Å; R453-D590 PolarHBondContact NE-OD1 3.32Å; R453-D590 IonicContact NE-OD2 2.67Å; R453-D590 VanDerWaalsContact NH2-CG 3.26Å; R453-D590 IonicContact NH2-OD1 2.79Å; R453-D590 PolarHBondContact NH2-OD1 2.7Å; R453-D590 IonicContact NH2-OD2 2.86Å; R453-D590 PolarHBondContact NH2-OD2 2.82Å; R453-L591 HydrophobicContact CB-CB 4.49Å; R453-L591 HydrophobicContact CB-CD1 4.39Å; R453-L591 PolarHBondContact NE-O 2.9Å; R453-F593 HydrophobicContact CG-CE2 4.4Å
454R96Very high92.3Very high44 Ų4437.4 Ų37.417%0.16619%0.186CC..Hα-helixtrans-64.6-42.3171.6-74.2-171.8-63.2-85.80.2112.5P450 F456 I457 D458 P586 H587 D589P450-R454 WeakPolarHBondContact O-CG 3.45Å; P450-R454 PolarHBondContact O-N 3.24Å; R454-F456 VanDerWaalsContact C-N 3.3Å; R454-F456 PolarHBondContact O-N 2.83Å; R454-I457 PolarHBondContact O-N 2.87Å; R454-D458 WeakPolarHBondContact O-CB 3.11Å; R454-D458 VanDerWaalsContact O-CG 3.22Å; R454-D458 PolarHBondContact O-N 2.78Å; R454-P586 VanDerWaalsContact CD-O 3.3Å; R454-P586 WeakPolarHBondContact CD-O 3.4Å; R454-H587 PolarHBondContact NE-O 3.15Å; R454-D589 VanDerWaalsContact CD-O 3.24Å; R454-D589 WeakPolarHBondContact CD-O 3.31Å; R454-D589 WeakPolarHBondContact CG-O 3.11Å; R454-D589 PolarHBondContact NH1-O 3.26Å
455R92.6Very high92.2Very high115 Ų11538.2 Ų38.243%0.43419%0.188SC..Hα-helixtrans-61.2-42.6176.9179.4177.6177.5176.80.5110.9S373 H374 Q451 M452 D458 M459S373-R455 PolarHBondContact O-NH2 3.24Å; H374-R455 PolarHBondContact O-NH2 3.09Å; H374-R455 VanDerWaalsContact O-NH2 3.08Å; Q451-R455 WeakPolarHBondContact O-CB 3.34Å; Q451-R455 PolarHBondContact O-N 3.23Å; M452-R455 PolarHBondContact O-N 3.2Å; R455-D458 PolarHBondContact O-N 2.91Å; R455-M459 HydrophobicContact CG-CE 3.91Å; R455-M459 HydrophobicContact CG-CG 4.37Å; R455-M459 HydrophobicContact CG-SD 3.73Å; R455-M459 WeakPolarHBondContact O-CB 3.23Å; R455-M459 VanDerWaalsContact O-CG 3.23Å; R455-M459 WeakPolarHBondContact O-CG 3.37Å; R455-M459 PolarHBondContact O-N 3.31Å
456F93.8Very high91.7Very high14 Ų1440.7 Ų40.76%0.06121%0.205CC..Hα-helixtrans-54.3-57.8172.7164.6-111.4000111.4L445 M452 R453 R454 D458 M459 E460 L525 L591 V616 K617 E620L445-F456 HydrophobicContact CD1-CB 3.83Å; L445-F456 HydrophobicContact CD1-CD1 4.09Å; L445-F456 HydrophobicContact CD1-CG 3.92Å; L445-F456 HydrophobicContact CD2-CD1 4.28Å; L445-F456 HydrophobicContact CD2-CE1 4.37Å; L445-F456 HydrophobicContact CD2-CG 4.41Å; M452-F456 WeakPolarHBondContact O-CB 3.23Å; M452-F456 PolarHBondContact O-N 3.1Å; R453-F456 WeakPolarHBondContact O-CB 3.36Å; R453-F456 PolarHBondContact O-N 3.15Å; R454-F456 VanDerWaalsContact C-N 3.3Å; R454-F456 PolarHBondContact O-N 2.83Å; F456-D458 VanDerWaalsContact C-N 3.32Å; F456-D458 PolarHBondContact O-N 2.8Å; F456-M459 PolarHBondContact O-N 3.08Å; F456-E460 HydrophobicContact CD2-CG 3.89Å; F456-E460 HydrophobicContact CE2-CG 3.49Å; F456-E460 VanDerWaalsContact CE2-CG 3.49Å; F456-E460 HydrophobicContact CZ-CG 4.14Å; F456-E460 WeakPolarHBondContact O-CG 3.46Å; F456-E460 PolarHBondContact O-N 2.8Å; F456-L525 HydrophobicContact CE1-CD2 3.83Å; F456-L525 HydrophobicContact CZ-CD2 4.18Å; F456-L591 HydrophobicContact CD1-CD1 4.41Å; F456-V616 HydrophobicContact CE1-CG1 4.04Å; F456-V616 HydrophobicContact CZ-CG1 3.91Å; F456-K617 HydrophobicContact CE2-CD 4.5Å; F456-E620 VanDerWaalsContact CE2-CD 3.43Å; F456-E620 HydrophobicContact CE2-CG 4.14Å; F456-E620 WeakPolarHBondContact CE2-OE1 3.15Å; F456-E620 HydrophobicContact CZ-CG 4.15Å
457I95Very high91.4Very high1 Ų145.1 Ų45.11%0.00523%0.232CC..Hα-helixtrans-56.3-45.9178-62.8167.3000111.9R453 R454 M459 E460 L461 R518 F521 Y547 L591R453-I457 WeakPolarHBondContact O-CG1 3.38Å; R453-I457 PolarHBondContact O-N 2.79Å; R453-I457 VanDerWaalsContact O-N 3.08Å; R454-I457 PolarHBondContact O-N 2.87Å; I457-M459 VanDerWaalsContact C-N 3.29Å; I457-M459 PolarHBondContact O-N 3.15Å; I457-E460 PolarHBondContact O-N 3.41Å; I457-L461 HydrophobicContact CG2-CD1 3.59Å; I457-L461 HydrophobicContact CG2-CG 4.35Å; I457-L461 VanDerWaalsContact O-CB 3.29Å; I457-L461 WeakPolarHBondContact O-CB 3.39Å; I457-L461 PolarHBondContact O-N 3.24Å; I457-R518 HydrophobicContact CG2-CB 4.5Å; I457-R518 HydrophobicContact CG2-CG 3.72Å; I457-F521 HydrophobicContact CG1-CE1 4.48Å; I457-F521 HydrophobicContact CG2-CD1 4.19Å; I457-F521 HydrophobicContact CG2-CE1 4.43Å; I457-Y547 HydrophobicContact CD1-CD2 4.5Å; I457-Y547 HydrophobicContact CD1-CE2 4.1Å; I457-L591 HydrophobicContact CD1-CD1 3.64Å; I457-L591 HydrophobicContact CD1-CD2 3.85Å; I457-L591 HydrophobicContact CD1-CG 3.69Å; I457-L591 HydrophobicContact CG1-CD1 3.83Å; I457-L591 HydrophobicContact CG1-CG 4.44Å
458D94Very high91.5Very high29 Ų2939.1 Ų39.116%0.15521%0.206CC..Hα-helixtrans-64.5-34.7-177.4-74.7-21.6000112.7R454 R455 F456 G462 Y468 L472 R518R454-D458 WeakPolarHBondContact O-CB 3.11Å; R454-D458 VanDerWaalsContact O-CG 3.22Å; R454-D458 PolarHBondContact O-N 2.78Å; R455-D458 PolarHBondContact O-N 2.91Å; F456-D458 VanDerWaalsContact C-N 3.32Å; F456-D458 PolarHBondContact O-N 2.8Å; D458-G462 PolarHBondContact O-N 3.34Å; D458-Y468 PolarHBondContact OD1-OH 2.94Å; D458-L472 HydrophobicContact CB-CD2 3.81Å; D458-L472 WeakPolarHBondContact OD1-CD2 3.06Å; D458-R518 VanDerWaalsContact CG-NH2 3.31Å; D458-R518 IonicContact OD1-CZ 3.85Å; D458-R518 IonicContact OD1-NE 3.26Å; D458-R518 IonicContact OD1-NH2 2.63Å; D458-R518 PolarHBondContact OD1-NH2 3.32Å; D458-R518 IonicContact OD2-NH2 2.75Å; D458-R518 PolarHBondContact OD2-NH2 3.01Å
459M90.5Very high91.4Very high41 Ų4139.8 Ų39.820%0.20221%0.206CC..Hα-helixtrans-70.4-53.7176.4-76176160.800110.1Y366 R455 F456 I457 G462 Q463Y366-M459 PolarHBondContact OH-SD 3.04Å; Y366-M459 VanDerWaalsContact OH-SD 3.35Å; R455-M459 HydrophobicContact CG-CE 3.91Å; R455-M459 HydrophobicContact CG-CG 4.37Å; R455-M459 HydrophobicContact CG-SD 3.73Å; R455-M459 WeakPolarHBondContact O-CB 3.23Å; R455-M459 VanDerWaalsContact O-CG 3.23Å; R455-M459 WeakPolarHBondContact O-CG 3.37Å; R455-M459 PolarHBondContact O-N 3.31Å; F456-M459 PolarHBondContact O-N 3.08Å; I457-M459 VanDerWaalsContact C-N 3.29Å; I457-M459 PolarHBondContact O-N 3.15Å; M459-G462 PolarHBondContact O-N 3.22Å; M459-G462 VanDerWaalsContact O-N 3.13Å; M459-Q463 WeakPolarHBondContact O-CG 3.47Å; M459-Q463 PolarHBondContact O-N 3.18Å; M459-Q463 VanDerWaalsContact O-N 3.16Å
460E92.5Very high91.3Very high13 Ų1342.9 Ų42.96%0.06121%0.211CC..Hα-helixtrans-66.1-46.4-175.4-55.6-37.3135.500112.7F456 I457 G462 Q463 I464 F521 E620F456-E460 HydrophobicContact CD2-CG 3.89Å; F456-E460 HydrophobicContact CE2-CG 3.49Å; F456-E460 VanDerWaalsContact CE2-CG 3.49Å; F456-E460 HydrophobicContact CZ-CG 4.14Å; F456-E460 WeakPolarHBondContact O-CG 3.46Å; F456-E460 PolarHBondContact O-N 2.8Å; I457-E460 PolarHBondContact O-N 3.41Å; E460-G462 PolarHBondContact O-N 2.92Å; E460-Q463 PolarHBondContact O-N 3.45Å; E460-Q463 PolarHBondContact OE2-NE2 3.09Å; E460-I464 WeakPolarHBondContact O-CG1 3.46Å; E460-I464 PolarHBondContact O-N 3.16Å; E460-F521 HydrophobicContact CB-CE2 4.14Å; E460-F521 HydrophobicContact CB-CZ 3.73Å; E460-F521 HydrophobicContact CG-CZ 4.45Å; E460-E620 HydrophobicContact CG-CG 4.31Å; E460-E620 WeakPolarHBondContact CG-OE2 3.41Å
461L92.5Very high91.2Very high8 Ų840.9 Ų40.94%0.04220%0.197CC..Hα-helixtrans-61.7-33.4173.8-83.2172.4000112.5I457 Q463 I464 N465 Y468 R518 F521I457-L461 HydrophobicContact CG2-CD1 3.59Å; I457-L461 HydrophobicContact CG2-CG 4.35Å; I457-L461 VanDerWaalsContact O-CB 3.29Å; I457-L461 WeakPolarHBondContact O-CB 3.39Å; I457-L461 PolarHBondContact O-N 3.24Å; L461-Q463 VanDerWaalsContact C-N 3.32Å; L461-Q463 PolarHBondContact O-N 3.41Å; L461-I464 HydrophobicContact CD2-CD1 3.97Å; L461-I464 HydrophobicContact CD2-CG1 4.41Å; L461-I464 WeakPolarHBondContact O-CG1 3.35Å; L461-N465 WeakPolarHBondContact O-CB 3.27Å; L461-N465 PolarHBondContact O-N 3.28Å; L461-Y468 HydrophobicContact CB-CD1 3.49Å; L461-Y468 VanDerWaalsContact CB-CD1 3.49Å; L461-Y468 HydrophobicContact CB-CD2 4.36Å; L461-Y468 HydrophobicContact CB-CE1 3.44Å; L461-Y468 VanDerWaalsContact CB-CE1 3.44Å; L461-Y468 HydrophobicContact CB-CE2 4.3Å; L461-Y468 HydrophobicContact CB-CG 3.97Å; L461-Y468 HydrophobicContact CD1-CD2 4.12Å; L461-Y468 HydrophobicContact CD1-CE1 4.13Å; L461-Y468 HydrophobicContact CD1-CE2 3.61Å; L461-Y468 HydrophobicContact CG-CE1 4.44Å; L461-R518 HydrophobicContact CD1-CB 4.45Å; L461-R518 HydrophobicContact CD1-CG 3.77Å; L461-F521 HydrophobicContact CD1-CB 3.94Å; L461-F521 HydrophobicContact CD1-CD1 4.32Å; L461-F521 HydrophobicContact CD1-CG 4.1Å; L461-F521 HydrophobicContact CD2-CB 3.53Å; L461-F521 HydrophobicContact CD2-CD2 3.64Å; L461-F521 HydrophobicContact CD2-CE2 4.49Å; L461-F521 HydrophobicContact CD2-CG 3.69Å; L461-F521 HydrophobicContact CG-CB 3.9Å; L461-F521 HydrophobicContact CG-CD1 4.15Å; L461-F521 HydrophobicContact CG-CD2 3.86Å; L461-F521 HydrophobicContact CG-CE2 4.41Å; L461-F521 HydrophobicContact CG-CG 3.7Å
462G89.6Confident91.2Very high4 Ų434.7 Ų34.74%0.04117%0.169CC..Hα-helixtrans-67.7-29.5179.700000113.7I430 D458 M459 E460I430-G462 WeakPolarHBondContact CG2-O 3.45Å; D458-G462 PolarHBondContact O-N 3.34Å; M459-G462 PolarHBondContact O-N 3.22Å; M459-G462 VanDerWaalsContact O-N 3.13Å; E460-G462 PolarHBondContact O-N 2.92Å
463Q89.9Confident91.2Very high4 Ų433.5 Ų33.52%0.01917%0.171CC..Hα-helixtrans-71.6-45.9175.6-65.3-164.984.700111.8L370 V435 M459 E460 L461 M624L370-Q463 HydrophobicContact CD2-CG 3.46Å; L370-Q463 VanDerWaalsContact CD2-CG 3.46Å; V435-Q463 PolarHBondContact O-NE2 3.42Å; V435-Q463 PolarHBondContact O-OE1 3.49Å; V435-Q463 VanDerWaalsContact O-OE1 3.13Å; M459-Q463 WeakPolarHBondContact O-CG 3.47Å; M459-Q463 PolarHBondContact O-N 3.18Å; M459-Q463 VanDerWaalsContact O-N 3.16Å; E460-Q463 PolarHBondContact O-N 3.45Å; E460-Q463 PolarHBondContact OE2-NE2 3.09Å; L461-Q463 VanDerWaalsContact C-N 3.32Å; L461-Q463 PolarHBondContact O-N 3.41Å; Q463-M624 HydrophobicContact CB-CE 3.96Å
464I87.4Confident91.2Very high23 Ų2335.8 Ų35.812%0.11818%0.182CC..Hα-helixtrans-84.2-23.4-173.561.1-176.6000113.7E460 L461 F521 L623 M624 E627 T628E460-I464 WeakPolarHBondContact O-CG1 3.46Å; E460-I464 PolarHBondContact O-N 3.16Å; L461-I464 HydrophobicContact CD2-CD1 3.97Å; L461-I464 HydrophobicContact CD2-CG1 4.41Å; L461-I464 WeakPolarHBondContact O-CG1 3.35Å; I464-F521 HydrophobicContact CD1-CD2 4.12Å; I464-F521 HydrophobicContact CD1-CE2 4.23Å; I464-L623 HydrophobicContact CD1-CD2 4.02Å; I464-M624 HydrophobicContact CG2-CB 4.34Å; I464-M624 HydrophobicContact CG2-CE 3.89Å; I464-M624 HydrophobicContact CG2-CG 3.73Å; I464-M624 HydrophobicContact CG2-SD 4.42Å; I464-E627 HydrophobicContact CB-CB 4.25Å; I464-E627 HydrophobicContact CD1-CB 4.34Å; I464-E627 HydrophobicContact CD1-CG 4.11Å; I464-E627 HydrophobicContact CG2-CB 4.42Å; I464-T628 HydrophobicContact CB-CG2 3.92Å; I464-T628 HydrophobicContact CG2-CG2 3.65Å
465N86.3Confident91.3Very high42 Ų4233.8 Ų33.823%0.22517%0.174CC..  trans-135.198.2-173.4-169.9-29.6000112.6L461 V467 Y468 L469L461-N465 WeakPolarHBondContact O-CB 3.27Å; L461-N465 PolarHBondContact O-N 3.28Å; N465-V467 PolarHBondContact O-N 3.29Å; N465-V467 WeakPolarHBondContact OD1-CA 3.42Å; N465-V467 VanDerWaalsContact OD1-CB 3.29Å; N465-V467 WeakPolarHBondContact OD1-CB 3.33Å; N465-V467 PolarHBondContact OD1-N 2.95Å; N465-Y468 WeakPolarHBondContact O-CB 3.34Å; N465-Y468 PolarHBondContact O-N 2.73Å; N465-Y468 PolarHBondContact OD1-N 3.36Å; N465-L469 PolarHBondContact O-N 2.76Å; N465-L469 VanDerWaalsContact O-N 3.16Å
466P82.5Confident91.5Very high61 Ų6133.1 Ų33.140%0.39618%0.176SC..Hα-helixtrans-59.2-30.4176.5-26.635.4000114.2L469 Y470P466-L469 PolarHBondContact O-N 2.85Å; P466-Y470 PolarHBondContact O-N 3.44Å; P466-Y470 VanDerWaalsContact O-N 3.1Å
467V86.3Confident91.6Very high92 Ų9238.2 Ų38.256%0.55820%0.198SC*.Hα-helixtrans-69.8-43.6177.7-177.20000110.4N465 L469 Y470 D471N465-V467 PolarHBondContact O-N 3.29Å; N465-V467 WeakPolarHBondContact OD1-CA 3.42Å; N465-V467 VanDerWaalsContact OD1-CB 3.29Å; N465-V467 WeakPolarHBondContact OD1-CB 3.33Å; N465-V467 PolarHBondContact OD1-N 2.95Å; V467-L469 VanDerWaalsContact C-N 3.29Å; V467-L469 PolarHBondContact O-N 3.49Å; V467-Y470 WeakPolarHBondContact O-CB 3.15Å; V467-Y470 PolarHBondContact O-N 3.43Å; V467-D471 PolarHBondContact O-N 3.41Å
468Y92.5Very high91.8Very high0 Ų038.4 Ų38.40%020%0.2CC..Hα-helixtrans-56.1-46.3172.8174.3-95.1000111.3D458 L461 N465 Y470 D471 L472 V514 N517 R518D458-Y468 PolarHBondContact OD1-OH 2.94Å; L461-Y468 HydrophobicContact CB-CD1 3.49Å; L461-Y468 VanDerWaalsContact CB-CD1 3.49Å; L461-Y468 HydrophobicContact CB-CD2 4.36Å; L461-Y468 HydrophobicContact CB-CE1 3.44Å; L461-Y468 VanDerWaalsContact CB-CE1 3.44Å; L461-Y468 HydrophobicContact CB-CE2 4.3Å; L461-Y468 HydrophobicContact CB-CG 3.97Å; L461-Y468 HydrophobicContact CD1-CD2 4.12Å; L461-Y468 HydrophobicContact CD1-CE1 4.13Å; L461-Y468 HydrophobicContact CD1-CE2 3.61Å; L461-Y468 HydrophobicContact CG-CE1 4.44Å; N465-Y468 WeakPolarHBondContact O-CB 3.34Å; N465-Y468 PolarHBondContact O-N 2.73Å; N465-Y468 PolarHBondContact OD1-N 3.36Å; Y468-Y470 VanDerWaalsContact C-N 3.3Å; Y468-Y470 PolarHBondContact O-N 3.5Å; Y468-D471 PolarHBondContact O-N 2.98Å; Y468-L472 HydrophobicContact CE1-CB 4.37Å; Y468-L472 HydrophobicContact CE1-CD2 3.85Å; Y468-L472 VanDerWaalsContact O-CB 3.27Å; Y468-L472 WeakPolarHBondContact O-CB 3.07Å; Y468-L472 PolarHBondContact O-N 3.37Å; Y468-V514 HydrophobicContact CE2-CB 4.3Å; Y468-V514 HydrophobicContact CE2-CG1 3.81Å; Y468-V514 HydrophobicContact CE2-CG2 4.44Å; Y468-N517 HydrophobicContact CD2-CB 3.67Å; Y468-N517 HydrophobicContact CE2-CB 4.19Å; Y468-R518 HydrophobicContact CE2-CG 4.1Å; Y468-R518 PolarHBondContact OH-NE 2.89Å
469L88.2Confident92Very high27 Ų2737.9 Ų37.914%0.14120%0.197CC..Hα-helixtrans-61.8-39.4179.9-174.264000112L426 I430 N465 P466 V467 A473L426-L469 HydrophobicContact CD2-CD2 4.34Å; L426-L469 HydrophobicContact CG-CD2 4.18Å; I430-L469 HydrophobicContact CB-CD2 4.12Å; I430-L469 HydrophobicContact CD1-CD2 3.93Å; I430-L469 HydrophobicContact CG1-CD2 4.43Å; I430-L469 HydrophobicContact CG2-CD2 4.36Å; N465-L469 PolarHBondContact O-N 2.76Å; N465-L469 VanDerWaalsContact O-N 3.16Å; P466-L469 PolarHBondContact O-N 2.85Å; V467-L469 VanDerWaalsContact C-N 3.29Å; V467-L469 PolarHBondContact O-N 3.49Å; L469-A473 WeakPolarHBondContact O-CB 3.29Å; L469-A473 PolarHBondContact O-N 3.48Å; L469-A473 VanDerWaalsContact O-N 3.07Å
470Y89.6Confident92.3Very high116 Ų11643.9 Ų43.946%0.45522%0.222SC..Hα-helixtrans-63.3-51.8173.7173.4-93000111.9P466 V467 Y468 L472 A473 Q474 F510P466-Y470 PolarHBondContact O-N 3.44Å; P466-Y470 VanDerWaalsContact O-N 3.1Å; V467-Y470 WeakPolarHBondContact O-CB 3.15Å; V467-Y470 PolarHBondContact O-N 3.43Å; Y468-Y470 VanDerWaalsContact C-N 3.3Å; Y468-Y470 PolarHBondContact O-N 3.5Å; Y470-L472 VanDerWaalsContact C-N 3.33Å; Y470-L472 PolarHBondContact O-N 2.67Å; Y470-A473 PolarHBondContact O-N 3.13Å; Y470-Q474 HydrophobicContact CD1-CG 4.35Å; Y470-Q474 HydrophobicContact CE1-CG 3.87Å; Y470-Q474 HydrophobicContact CE2-CG 4.17Å; Y470-Q474 WeakPolarHBondContact O-CG 3.48Å; Y470-Q474 PolarHBondContact O-N 3.41Å; Y470-F510 HydrophobicContact CE1-CE1 4.11Å
471D93.7Very high92.6Very high7 Ų747 Ų474%0.03724%0.236CC..Hα-helixtrans-62.2-40.6-178.8-75.6-34000111.3V467 Y468 Q474 Y475 F510 K513 V514V467-D471 PolarHBondContact O-N 3.41Å; Y468-D471 PolarHBondContact O-N 2.98Å; D471-Q474 PolarHBondContact O-N 3.42Å; D471-Y475 VanDerWaalsContact O-CB 3.26Å; D471-Y475 WeakPolarHBondContact O-CB 3.01Å; D471-Y475 PolarHBondContact O-N 2.87Å; D471-F510 HydrophobicContact CB-CD1 4.4Å; D471-F510 WeakPolarHBondContact OD1-CD1 3.09Å; D471-K513 HydrophobicContact CB-CB 4.46Å; D471-K513 IonicContact OD1-NZ 2.63Å; D471-K513 WeakPolarHBondContact OD2-CB 3.41Å; D471-K513 VanDerWaalsContact OD2-CD 3.25Å; D471-K513 WeakPolarHBondContact OD2-CD 3.44Å; D471-V514 HydrophobicContact CB-CG2 4.16Å
472L95.3Very high92.8Very high10 Ų1046.7 Ų46.75%0.05223%0.234CC..Hα-helixtrans-62.2-43.1175.1-178.764.6000111.7D458 Y468 Y470 Y475 Q476 V514D458-L472 HydrophobicContact CB-CD2 3.81Å; D458-L472 WeakPolarHBondContact OD1-CD2 3.06Å; Y468-L472 HydrophobicContact CE1-CB 4.37Å; Y468-L472 HydrophobicContact CE1-CD2 3.85Å; Y468-L472 VanDerWaalsContact O-CB 3.27Å; Y468-L472 WeakPolarHBondContact O-CB 3.07Å; Y468-L472 PolarHBondContact O-N 3.37Å; Y470-L472 VanDerWaalsContact C-N 3.33Å; Y470-L472 PolarHBondContact O-N 2.67Å; L472-Y475 PolarHBondContact O-N 3.35Å; L472-Q476 HydrophobicContact CD1-CG 4.32Å; L472-Q476 WeakPolarHBondContact O-CB 3.24Å; L472-Q476 VanDerWaalsContact O-CG 3.31Å; L472-Q476 WeakPolarHBondContact O-CG 3.41Å; L472-Q476 PolarHBondContact O-N 3.19Å; L472-V514 HydrophobicContact CB-CG2 4.25Å; L472-V514 HydrophobicContact CD1-CG1 4.25Å; L472-V514 HydrophobicContact CD1-CG2 4.44Å
473A91.9Very high93.2Very high50 Ų5048.2 Ų48.241%0.41324%0.241SC..Hα-helixtrans-64.4-42.3177.700000112L469 Y470 K477L469-A473 WeakPolarHBondContact O-CB 3.29Å; L469-A473 PolarHBondContact O-N 3.48Å; L469-A473 VanDerWaalsContact O-N 3.07Å; Y470-A473 PolarHBondContact O-N 3.13Å; A473-K477 WeakPolarHBondContact O-CB 3.27Å; A473-K477 PolarHBondContact O-N 3.07Å; A473-K477 VanDerWaalsContact O-N 3.11Å
474Q95Very high93.5Very high50 Ų5052.9 Ų52.923%0.23427%0.266CS..Hα-helixtrans-65.9-44.1174.4-62.2-47.6-45.100111.4Y470 D471 Q476 K477 T478 F510Y470-Q474 HydrophobicContact CD1-CG 4.35Å; Y470-Q474 HydrophobicContact CE1-CG 3.87Å; Y470-Q474 HydrophobicContact CE2-CG 4.17Å; Y470-Q474 WeakPolarHBondContact O-CG 3.48Å; Y470-Q474 PolarHBondContact O-N 3.41Å; D471-Q474 PolarHBondContact O-N 3.42Å; Q474-Q476 PolarHBondContact O-N 3.49Å; Q474-K477 PolarHBondContact O-N 2.95Å; Q474-T478 WeakPolarHBondContact O-CB 3.23Å; Q474-T478 PolarHBondContact O-N 3.1Å; Q474-T478 PolarHBondContact O-OG1 3.26Å; Q474-F510 HydrophobicContact CB-CD1 3.67Å; Q474-F510 HydrophobicContact CB-CD2 3.64Å; Q474-F510 HydrophobicContact CB-CE1 3.62Å; Q474-F510 HydrophobicContact CB-CE2 3.6Å; Q474-F510 HydrophobicContact CB-CG 3.69Å; Q474-F510 HydrophobicContact CB-CZ 3.59Å; Q474-F510 HydrophobicContact CG-CD1 4.23Å; Q474-F510 HydrophobicContact CG-CE1 3.74Å; Q474-F510 HydrophobicContact CG-CE2 4.22Å; Q474-F510 HydrophobicContact CG-CZ 3.74Å
475Y98.1Very high94Very high2 Ų252.4 Ų52.41%0.00826%0.263CS..Hα-helixtrans-55.4-50.7176176-99000112D471 L472 K477 T478 L479 L507 F565 P586 H587D471-Y475 VanDerWaalsContact O-CB 3.26Å; D471-Y475 WeakPolarHBondContact O-CB 3.01Å; D471-Y475 PolarHBondContact O-N 2.87Å; L472-Y475 PolarHBondContact O-N 3.35Å; Y475-K477 VanDerWaalsContact C-N 3.33Å; Y475-K477 PolarHBondContact O-N 2.79Å; Y475-T478 PolarHBondContact O-N 3.47Å; Y475-L479 HydrophobicContact CE1-CD2 4.16Å; Y475-L479 VanDerWaalsContact O-CB 3.24Å; Y475-L479 WeakPolarHBondContact O-CB 3.43Å; Y475-L479 PolarHBondContact O-N 3.49Å; Y475-L507 HydrophobicContact CD2-CD1 3.65Å; Y475-L507 HydrophobicContact CD2-CG 4.22Å; Y475-L507 WeakPolarHBondContact CD2-O 3.45Å; Y475-L507 HydrophobicContact CE2-CD1 3.36Å; Y475-L507 HydrophobicContact CE2-CG 3.74Å; Y475-L507 HydrophobicContact CG-CD1 4.49Å; Y475-F565 HydrophobicContact CE2-CE1 4.49Å; Y475-F565 HydrophobicContact CE2-CZ 4.46Å; Y475-P586 HydrophobicContact CD1-CG 4.27Å; Y475-P586 HydrophobicContact CD2-CG 4.49Å; Y475-P586 HydrophobicContact CE1-CG 3.73Å; Y475-P586 HydrophobicContact CE2-CG 3.96Å; Y475-P586 VanDerWaalsContact OH-CD 3.28Å; Y475-P586 WeakPolarHBondContact OH-CD 3.4Å; Y475-H587 HydrophobicContact CE1-CB 4.24Å; Y475-H587 AromaticContact CZ-ND1 3.8Å; Y475-H587 PolarHBondContact OH-ND1 2.69Å
476Q96.7Very high94.5Very high101 Ų10150.4 Ų50.447%0.47225%0.252SS..Hα-helixtrans-63.1-38.9179.7-72.4177.4-2.600112.2L472 Q474 K480L472-Q476 HydrophobicContact CD1-CG 4.32Å; L472-Q476 WeakPolarHBondContact O-CB 3.24Å; L472-Q476 VanDerWaalsContact O-CG 3.31Å; L472-Q476 WeakPolarHBondContact O-CG 3.41Å; L472-Q476 PolarHBondContact O-N 3.19Å; Q474-Q476 PolarHBondContact O-N 3.49Å; Q476-K480 PolarHBondContact O-N 3Å
477K96.9Very high95.2Very high121 Ų12153 Ų5353%0.52626%0.257SS..Hα-helixtrans-63.7-49.7175.8-178.2-176.6174.2-171.70111.3A473 Q474 Y475 K480 Q481A473-K477 WeakPolarHBondContact O-CB 3.27Å; A473-K477 PolarHBondContact O-N 3.07Å; A473-K477 VanDerWaalsContact O-N 3.11Å; Q474-K477 PolarHBondContact O-N 2.95Å; Y475-K477 VanDerWaalsContact C-N 3.33Å; Y475-K477 PolarHBondContact O-N 2.79Å; K477-K480 PolarHBondContact O-N 3.45Å; K477-Q481 PolarHBondContact O-N 2.89Å; K477-Q481 VanDerWaalsContact O-N 3.12Å
478T97.9Very high95.7Very high6 Ų651.3 Ų51.34%0.03724%0.243CC..Hα-helixtrans-63.9-41.2178.5-56.20000111.2Q474 Y475 K480 Q481 R482 L503 Q506 L507Q474-T478 WeakPolarHBondContact O-CB 3.23Å; Q474-T478 PolarHBondContact O-N 3.1Å; Q474-T478 PolarHBondContact O-OG1 3.26Å; Y475-T478 PolarHBondContact O-N 3.47Å; T478-K480 VanDerWaalsContact C-N 3.33Å; T478-K480 PolarHBondContact O-N 2.97Å; T478-Q481 PolarHBondContact O-N 3.43Å; T478-R482 WeakPolarHBondContact O-CB 3.21Å; T478-R482 PolarHBondContact O-N 3.25Å; T478-L503 HydrophobicContact CG2-CD2 4.37Å; T478-L503 WeakPolarHBondContact CG2-O 3.43Å; T478-Q506 HydrophobicContact CG2-CB 3.87Å; T478-L507 HydrophobicContact CG2-CB 4Å; T478-L507 HydrophobicContact CG2-CD1 4.43Å
479L98.3Very high95.8Very high18 Ų1852.1 Ų52.19%0.09425%0.248CC..Hα-helixtrans-57.9-43.6174.9-179.964.9000112Y475 R482 N483 L507 T582 H587Y475-L479 HydrophobicContact CE1-CD2 4.16Å; Y475-L479 VanDerWaalsContact O-CB 3.24Å; Y475-L479 WeakPolarHBondContact O-CB 3.43Å; Y475-L479 PolarHBondContact O-N 3.49Å; L479-R482 PolarHBondContact O-N 2.95Å; L479-N483 WeakPolarHBondContact O-CB 3.43Å; L479-N483 VanDerWaalsContact O-CG 3.3Å; L479-N483 PolarHBondContact O-N 3.42Å; L479-L507 HydrophobicContact CB-CD1 3.75Å; L479-L507 HydrophobicContact CD1-CD1 4.15Å; L479-T582 HydrophobicContact CD1-CG2 3.98Å; L479-H587 HydrophobicContact CD2-CB 3.81Å; L479-H587 VanDerWaalsContact CD2-CG 3.46Å
480K98Very high96.1Very high167 Ų16753.3 Ų53.373%0.72626%0.258SS*.Hα-helixtrans-63.4-43.6176.9-175.7177.4179.1179.50111.8Q476 K477 T478 L484Q476-K480 PolarHBondContact O-N 3Å; K477-K480 PolarHBondContact O-N 3.45Å; T478-K480 VanDerWaalsContact C-N 3.33Å; T478-K480 PolarHBondContact O-N 2.97Å; K480-L484 WeakPolarHBondContact O-CB 3.31Å; K480-L484 PolarHBondContact O-N 3.46Å
481Q97.4Very high96.4Very high77 Ų7751.9 Ų51.936%0.3626%0.255SS..Hα-helixtrans-63.2-45.2176.1-70.5178-2300111.3K477 T478 L484 Y485 L503K477-Q481 PolarHBondContact O-N 2.89Å; K477-Q481 VanDerWaalsContact O-N 3.12Å; T478-Q481 PolarHBondContact O-N 3.43Å; Q481-L484 PolarHBondContact O-N 3.08Å; Q481-Y485 WeakPolarHBondContact O-CB 3.32Å; Q481-Y485 PolarHBondContact O-N 3.35Å; Q481-L503 HydrophobicContact CB-CD1 4.42Å; Q481-L503 HydrophobicContact CB-CD2 4.09Å
482R97.5Very high96.3Very high2 Ų260.3 Ų60.31%0.00829%0.292CS..Hα-helixtrans-61.1-47.7177.2-169.4-179-175.3-83.8-4.6112.3T478 L479 L484 Y485 L486 L500 L503 T504 E576 T582T478-R482 WeakPolarHBondContact O-CB 3.21Å; T478-R482 PolarHBondContact O-N 3.25Å; L479-R482 PolarHBondContact O-N 2.95Å; R482-L484 VanDerWaalsContact C-N 3.34Å; R482-L484 PolarHBondContact O-N 3.42Å; R482-Y485 PolarHBondContact O-N 2.96Å; R482-Y485 VanDerWaalsContact O-N 3.15Å; R482-L486 WeakPolarHBondContact O-CG 3.16Å; R482-L486 PolarHBondContact O-N 3.44Å; R482-L500 HydrophobicContact CG-CD1 3.89Å; R482-L503 HydrophobicContact CB-CB 4.33Å; R482-L503 HydrophobicContact CB-CD1 4.41Å; R482-L503 HydrophobicContact CG-CB 4.4Å; R482-T504 PolarHBondContact NE-OG1 3.34Å; R482-T504 VanDerWaalsContact NE-OG1 3.1Å; R482-T504 PolarHBondContact NH2-OG1 3.19Å; R482-E576 IonicContact CZ-OE2 2.73Å; R482-E576 IonicContact NH1-OE1 3.32Å; R482-E576 IonicContact NH1-OE2 3.51Å; R482-E576 PolarHBondContact NH1-OE2 3.2Å; R482-E576 IonicContact NH2-OE2 2.97Å; R482-E576 PolarHBondContact NH2-OE2 2.77Å; R482-T582 PolarHBondContact NH1-OG1 3.04Å
483N97.8Very high96.1Very high36 Ų3666.5 Ų66.519%0.19332%0.318CS..Hα-helixtrans-63.9-38.9178.1-74.6-16.2000112.3L479 Y485 K487 N581 T582L479-N483 WeakPolarHBondContact O-CB 3.43Å; L479-N483 VanDerWaalsContact O-CG 3.3Å; L479-N483 PolarHBondContact O-N 3.42Å; N483-Y485 VanDerWaalsContact C-N 3.31Å; N483-Y485 PolarHBondContact O-N 2.99Å; N483-K487 PolarHBondContact O-N 3.48Å; N483-K487 VanDerWaalsContact O-N 3.07Å; N483-N581 VanDerWaalsContact CG-OD1 3.22Å; N483-N581 PolarHBondContact ND2-OD1 3.2Å; N483-N581 VanDerWaalsContact ND2-OD1 3.09Å; N483-N581 PolarHBondContact OD1-OD1 2.74Å; N483-T582 VanDerWaalsContact OD1-CB 3.3Å; N483-T582 WeakPolarHBondContact OD1-CB 3.33Å; N483-T582 PolarHBondContact OD1-N 2.8Å; N483-T582 PolarHBondContact OD1-OG1 2.84Å
484L97Very high96Very high103 Ų10368.2 Ų68.254%0.53932%0.318SS..Hα-helixtrans-60.8-43.7172.9179.363.3000111.1K480 Q481 R482 K487 Q488K480-L484 WeakPolarHBondContact O-CB 3.31Å; K480-L484 PolarHBondContact O-N 3.46Å; Q481-L484 PolarHBondContact O-N 3.08Å; R482-L484 VanDerWaalsContact C-N 3.34Å; R482-L484 PolarHBondContact O-N 3.42Å; L484-K487 PolarHBondContact O-N 2.94Å; L484-Q488 WeakPolarHBondContact O-CG 3.41Å; L484-Q488 PolarHBondContact O-N 2.89Å; L484-Q488 VanDerWaalsContact O-N 3.13Å
485Y97.2Very high95.6Very high13 Ų1371.9 Ų71.95%0.05134%0.344CS..Hα-helixtrans-69.4-42.3-179.7-162.7-113.8000112.8Q481 R482 N483 K487 Q488 L489 Q494 D496 Y499 L500Q481-Y485 WeakPolarHBondContact O-CB 3.32Å; Q481-Y485 PolarHBondContact O-N 3.35Å; R482-Y485 PolarHBondContact O-N 2.96Å; R482-Y485 VanDerWaalsContact O-N 3.15Å; N483-Y485 VanDerWaalsContact C-N 3.31Å; N483-Y485 PolarHBondContact O-N 2.99Å; Y485-K487 VanDerWaalsContact C-N 3.26Å; Y485-K487 PolarHBondContact O-N 3.39Å; Y485-Q488 WeakPolarHBondContact O-CA 3.25Å; Y485-Q488 WeakPolarHBondContact O-CB 3.34Å; Y485-Q488 PolarHBondContact O-N 3.11Å; Y485-L489 HydrophobicContact CD1-CD1 3.92Å; Y485-L489 HydrophobicContact CD1-CG 4.25Å; Y485-L489 HydrophobicContact CE1-CD1 3.87Å; Y485-L489 HydrophobicContact CE1-CD2 4.21Å; Y485-L489 HydrophobicContact CE1-CG 4.07Å; Y485-L489 PolarHBondContact O-N 2.84Å; Y485-Q494 HydrophobicContact CE2-CB 3.97Å; Y485-Q494 HydrophobicContact CE2-CG 3.83Å; Y485-D496 VanDerWaalsContact CE1-O 3.23Å; Y485-D496 WeakPolarHBondContact CE1-O 3.32Å; Y485-D496 WeakPolarHBondContact OH-CB 3.15Å; Y485-D496 PolarHBondContact OH-O 3.24Å; Y485-Y499 AromaticContact CD1-CD1 3.89Å; Y485-Y499 HydrophobicContact CD1-CD1 3.89Å; Y485-Y499 AromaticContact CD2-CD1 3.63Å; Y485-Y499 HydrophobicContact CD2-CD1 3.63Å; Y485-Y499 AromaticContact CD2-CE1 3.92Å; Y485-Y499 HydrophobicContact CD2-CE1 3.92Å; Y485-Y499 AromaticContact CE1-CD1 3.8Å; Y485-Y499 HydrophobicContact CE1-CD1 3.8Å; Y485-Y499 HydrophobicContact CE1-CG 4.41Å; Y485-Y499 AromaticContact CE2-CD1 3.55Å; Y485-Y499 HydrophobicContact CE2-CD1 3.55Å; Y485-Y499 HydrophobicContact CE2-CE1 4.21Å; Y485-Y499 AromaticContact CG-CD1 3.8Å; Y485-Y499 HydrophobicContact CG-CD1 3.8Å; Y485-Y499 HydrophobicContact CG-CE1 4.13Å; Y485-Y499 AromaticContact CZ-CD1 3.63Å; Y485-L500 HydrophobicContact CD1-CB 4Å; Y485-L500 HydrophobicContact CD1-CD1 4.46Å; Y485-L500 HydrophobicContact CE1-CB 4.04Å
486L97.1Very high95Very high0 Ų075.2 Ų75.20%036%0.362CS..Hα-helixtrans-56.1-41.4172-75.3177000111.9R482 Q488 L489 S490 L500 E576 I577 N581R482-L486 WeakPolarHBondContact O-CG 3.16Å; R482-L486 PolarHBondContact O-N 3.44Å; L486-Q488 VanDerWaalsContact C-N 3.34Å; L486-Q488 PolarHBondContact O-N 3.32Å; L486-L489 PolarHBondContact O-N 2.95Å; L486-S490 WeakPolarHBondContact O-CB 3.19Å; L486-S490 PolarHBondContact O-N 3.02Å; L486-L500 HydrophobicContact CD2-CD1 3.74Å; L486-L500 HydrophobicContact CD2-CD2 3.84Å; L486-L500 HydrophobicContact CD2-CG 4.48Å; L486-L500 HydrophobicContact CG-CD1 4.09Å; L486-E576 HydrophobicContact CD1-CB 4.04Å; L486-E576 HydrophobicContact CD2-CB 4.24Å; L486-I577 HydrophobicContact CD2-CG1 3.84Å; L486-N581 VanDerWaalsContact CD1-C 3.47Å
487K96.5Very high94.7Very high114 Ų11474.9 Ų74.950%0.49636%0.36SS..Hα-helixtrans-63-40175-173.9175.8178.11780111.8N483 L484 Y485 S490 E491N483-K487 PolarHBondContact O-N 3.48Å; N483-K487 VanDerWaalsContact O-N 3.07Å; L484-K487 PolarHBondContact O-N 2.94Å; Y485-K487 VanDerWaalsContact C-N 3.26Å; Y485-K487 PolarHBondContact O-N 3.39Å; K487-S490 WeakPolarHBondContact O-CB 2.9Å; K487-S490 PolarHBondContact O-N 3.16Å; K487-E491 WeakPolarHBondContact CE-OE1 3.45Å; K487-E491 WeakPolarHBondContact O-CB 3.38Å; K487-E491 VanDerWaalsContact O-CG 3.32Å; K487-E491 WeakPolarHBondContact O-CG 3.39Å; K487-E491 PolarHBondContact O-N 3.41Å
488Q96.3Very high94.5Very high57 Ų5774.5 Ų74.527%0.26636%0.363SS..Hα-helixtrans-65.5-39.4175.8-68.7172.9-500112.6L484 Y485 L486 E491 K492 K493 Q494L484-Q488 WeakPolarHBondContact O-CG 3.41Å; L484-Q488 PolarHBondContact O-N 2.89Å; L484-Q488 VanDerWaalsContact O-N 3.13Å; Y485-Q488 WeakPolarHBondContact O-CA 3.25Å; Y485-Q488 WeakPolarHBondContact O-CB 3.34Å; Y485-Q488 PolarHBondContact O-N 3.11Å; L486-Q488 VanDerWaalsContact C-N 3.34Å; L486-Q488 PolarHBondContact O-N 3.32Å; Q488-E491 PolarHBondContact O-N 3.18Å; Q488-K492 PolarHBondContact O-N 3.14Å; Q488-K493 HydrophobicContact CB-CB 4.37Å; Q488-K493 PolarHBondContact O-N 3.05Å; Q488-Q494 HydrophobicContact CB-CB 4.21Å; Q488-Q494 HydrophobicContact CB-CG 3.95Å; Q488-Q494 PolarHBondContact O-N 2.94Å
489L95.5Very high94.3Very high18 Ų1878.8 Ų78.89%0.09438%0.379CS..Hα-helixtrans-64.7-44.8172.9-67.2172.5000111.2Y485 L486 E491 K492 Q494 L500 I577Y485-L489 HydrophobicContact CD1-CD1 3.92Å; Y485-L489 HydrophobicContact CD1-CG 4.25Å; Y485-L489 HydrophobicContact CE1-CD1 3.87Å; Y485-L489 HydrophobicContact CE1-CD2 4.21Å; Y485-L489 HydrophobicContact CE1-CG 4.07Å; Y485-L489 PolarHBondContact O-N 2.84Å; L486-L489 PolarHBondContact O-N 2.95Å; L489-E491 VanDerWaalsContact C-N 3.29Å; L489-E491 PolarHBondContact O-N 3.3Å; L489-K492 PolarHBondContact O-N 3.46Å; L489-Q494 HydrophobicContact CD2-CB 4.07Å; L489-L500 HydrophobicContact CD1-CB 4.35Å; L489-L500 HydrophobicContact CD1-CD2 3.88Å; L489-I577 HydrophobicContact CB-CG2 4.03Å; L489-I577 HydrophobicContact CD1-CD1 4.5Å; L489-I577 HydrophobicContact CD1-CG1 4.26Å
490S94.6Very high94.1Very high51 Ų5177.9 Ų77.936%0.35737%0.374SS..Hα-helixtrans-57.9-40175.7-173.40000112.6L486 K487 K492 I577 F578L486-S490 WeakPolarHBondContact O-CB 3.19Å; L486-S490 PolarHBondContact O-N 3.02Å; K487-S490 WeakPolarHBondContact O-CB 2.9Å; K487-S490 PolarHBondContact O-N 3.16Å; S490-K492 PolarHBondContact O-N 3.13Å; S490-I577 WeakPolarHBondContact CB-O 3.49Å; S490-F578 PolarHBondContact OG-O 2.9Å
491E94.9Very high94Very high86 Ų8672.6 Ų72.640%0.40235%0.354SS..THydrogen-bonded Turntrans-83.11.9178.7-68.4173.9-176.700112.9K487 Q488 L489 K493K487-E491 WeakPolarHBondContact CE-OE1 3.45Å; K487-E491 WeakPolarHBondContact O-CB 3.38Å; K487-E491 VanDerWaalsContact O-CG 3.32Å; K487-E491 WeakPolarHBondContact O-CG 3.39Å; K487-E491 PolarHBondContact O-N 3.41Å; Q488-E491 PolarHBondContact O-N 3.18Å; L489-E491 VanDerWaalsContact C-N 3.29Å; L489-E491 PolarHBondContact O-N 3.3Å; E491-K493 HydrophobicContact CB-CD 4.27Å; E491-K493 HydrophobicContact CB-CG 4.15Å; E491-K493 PolarHBondContact O-N 3.18Å; E491-K493 WeakPolarHBondContact OE2-CD 3.06Å; E491-K493 WeakPolarHBondContact OE2-CE 3.14Å; E491-K493 IonicContact OE2-NZ 3.65Å; E491-K493 PolarHBondContact OE2-NZ 3.47Å
492K91.8Very high93.9Very high184 Ų18472.7 Ų72.780%0.836%0.356SS*.THydrogen-bonded Turntrans56.524.2-175.6-54.2-179.8179.4179.50114.2Q488 L489 S490 Q494Q488-K492 PolarHBondContact O-N 3.14Å; L489-K492 PolarHBondContact O-N 3.46Å; S490-K492 PolarHBondContact O-N 3.13Å; K492-Q494 VanDerWaalsContact C-N 3.32Å
493K91.4Very high93.8Very high140 Ų14072.7 Ų72.761%0.60936%0.356SS*.SBendtrans-77.9-22.1173.7-71.1178177.4162.60112.4Q488 E491Q488-K493 HydrophobicContact CB-CB 4.37Å; Q488-K493 PolarHBondContact O-N 3.05Å; E491-K493 HydrophobicContact CB-CD 4.27Å; E491-K493 HydrophobicContact CB-CG 4.15Å; E491-K493 PolarHBondContact O-N 3.18Å; E491-K493 WeakPolarHBondContact OE2-CD 3.06Å; E491-K493 WeakPolarHBondContact OE2-CE 3.14Å; E491-K493 IonicContact OE2-NZ 3.65Å; E491-K493 PolarHBondContact OE2-NZ 3.47Å
494Q89.8Confident93.8Very high87 Ų8771 Ų7141%0.40735%0.347SS..  trans-131.9156.1173.9-69.1-64.6-19.900108.5Y485 Q488 L489 K492Y485-Q494 HydrophobicContact CE2-CB 3.97Å; Y485-Q494 HydrophobicContact CE2-CG 3.83Å; Q488-Q494 HydrophobicContact CB-CB 4.21Å; Q488-Q494 HydrophobicContact CB-CG 3.95Å; Q488-Q494 PolarHBondContact O-N 2.94Å; L489-Q494 HydrophobicContact CD2-CB 4.07Å; K492-Q494 VanDerWaalsContact C-N 3.32Å
495T86Confident93.8Very high127 Ų12770.2 Ų70.278%0.77934%0.341SS*.  trans-132.8-7.9177.452.90000113E497T495-E497 PolarHBondContact O-N 2.73Å
496D86.2Confident93.8Very high72 Ų7273.5 Ų73.539%0.38536%0.357SS..  trans-76.3118.9-178.6179.114.3000110.5Y485 I498Y485-D496 VanDerWaalsContact CE1-O 3.23Å; Y485-D496 WeakPolarHBondContact CE1-O 3.32Å; Y485-D496 WeakPolarHBondContact OH-CB 3.15Å; Y485-D496 PolarHBondContact OH-O 3.24Å; D496-I498 VanDerWaalsContact OD1-CB 3.27Å; D496-I498 WeakPolarHBondContact OD1-CB 3.24Å; D496-I498 PolarHBondContact OD1-N 2.72Å
497E90.5Very high93.9Very high93 Ų9373.5 Ų73.544%0.43536%0.357SS..SBendtrans-92.4-14.6178.9-81-160.2-14400112.6T495 L500 D501 R573T495-E497 PolarHBondContact O-N 2.73Å; E497-L500 WeakPolarHBondContact O-CB 3.44Å; E497-L500 PolarHBondContact O-N 3.01Å; E497-D501 PolarHBondContact O-N 3.13Å; E497-D501 VanDerWaalsContact O-N 3.11Å; E497-R573 PolarHBondContact O-NH2 2.79Å; E497-R573 IonicContact OE2-CZ 3.27Å; E497-R573 VanDerWaalsContact OE2-CZ 3.25Å; E497-R573 IonicContact OE2-NE 2.64Å; E497-R573 PolarHBondContact OE2-NE 3.5Å; E497-R573 IonicContact OE2-NH2 3.53Å; E497-R573 PolarHBondContact OE2-NH2 3.11Å
498I92.4Very high94Very high114 Ų11468.1 Ų68.159%0.58533%0.334SS*.Hα-helixtrans-68.4-41.4-179.2-59.1172.8000110.1D496 L500 D501 I502D496-I498 VanDerWaalsContact OD1-CB 3.27Å; D496-I498 WeakPolarHBondContact OD1-CB 3.24Å; D496-I498 PolarHBondContact OD1-N 2.72Å; I498-L500 VanDerWaalsContact C-N 3.25Å; I498-L500 PolarHBondContact O-N 3.44Å; I498-D501 WeakPolarHBondContact O-CB 3.47Å; I498-D501 PolarHBondContact O-N 3.24Å; I498-I502 PolarHBondContact O-N 2.93Å
499Y93.3Very high94Very high95 Ų9568 Ų6837%0.37334%0.335SS..Hα-helixtrans-63.9-33.5175.6-174.9-120000112.3Y485 D501 I502 L503Y485-Y499 AromaticContact CD1-CD1 3.89Å; Y485-Y499 HydrophobicContact CD1-CD1 3.89Å; Y485-Y499 AromaticContact CD2-CD1 3.63Å; Y485-Y499 HydrophobicContact CD2-CD1 3.63Å; Y485-Y499 AromaticContact CD2-CE1 3.92Å; Y485-Y499 HydrophobicContact CD2-CE1 3.92Å; Y485-Y499 AromaticContact CE1-CD1 3.8Å; Y485-Y499 HydrophobicContact CE1-CD1 3.8Å; Y485-Y499 HydrophobicContact CE1-CG 4.41Å; Y485-Y499 AromaticContact CE2-CD1 3.55Å; Y485-Y499 HydrophobicContact CE2-CD1 3.55Å; Y485-Y499 HydrophobicContact CE2-CE1 4.21Å; Y485-Y499 AromaticContact CG-CD1 3.8Å; Y485-Y499 HydrophobicContact CG-CD1 3.8Å; Y485-Y499 HydrophobicContact CG-CE1 4.13Å; Y485-Y499 AromaticContact CZ-CD1 3.63Å; Y499-D501 VanDerWaalsContact C-N 3.3Å; Y499-D501 PolarHBondContact O-N 3.3Å; Y499-I502 PolarHBondContact O-N 2.71Å; Y499-L503 HydrophobicContact CD1-CD1 4.03Å; Y499-L503 HydrophobicContact CE1-CD1 3.59Å; Y499-L503 HydrophobicContact CE1-CG 4.24Å; Y499-L503 HydrophobicContact CE2-CD1 4.48Å; Y499-L503 HydrophobicContact CE2-CD2 4.46Å; Y499-L503 HydrophobicContact CE2-CG 4.25Å; Y499-L503 WeakPolarHBondContact O-CG 3.23Å; Y499-L503 PolarHBondContact O-N 2.93Å; Y499-L503 VanDerWaalsContact O-N 3.12Å
500L95.3Very high94.1Very high0 Ų069 Ų690%034%0.338CS..Hα-helixtrans-64.3-36.2172.1-179.863.4000111.4R482 Y485 L486 L489 E497 I498 T504 I577R482-L500 HydrophobicContact CG-CD1 3.89Å; Y485-L500 HydrophobicContact CD1-CB 4Å; Y485-L500 HydrophobicContact CD1-CD1 4.46Å; Y485-L500 HydrophobicContact CE1-CB 4.04Å; L486-L500 HydrophobicContact CD2-CD1 3.74Å; L486-L500 HydrophobicContact CD2-CD2 3.84Å; L486-L500 HydrophobicContact CD2-CG 4.48Å; L486-L500 HydrophobicContact CG-CD1 4.09Å; L489-L500 HydrophobicContact CD1-CB 4.35Å; L489-L500 HydrophobicContact CD1-CD2 3.88Å; E497-L500 WeakPolarHBondContact O-CB 3.44Å; E497-L500 PolarHBondContact O-N 3.01Å; I498-L500 VanDerWaalsContact C-N 3.25Å; I498-L500 PolarHBondContact O-N 3.44Å; L500-T504 VanDerWaalsContact O-CB 3.25Å; L500-T504 WeakPolarHBondContact O-CB 3.38Å; L500-T504 PolarHBondContact O-N 3.17Å; L500-T504 PolarHBondContact O-OG1 2.82Å; L500-I577 HydrophobicContact CD2-CD1 4.11Å; L500-I577 HydrophobicContact CD2-CG1 4.08Å
501D95.8Very high94.3Very high55 Ų5566.5 Ų66.529%0.29432%0.321SS..Hα-helixtrans-65-47.2176.5-65.5-31.6000111.7E497 I498 Y499 L503 T504 E505 R573E497-D501 PolarHBondContact O-N 3.13Å; E497-D501 VanDerWaalsContact O-N 3.11Å; I498-D501 WeakPolarHBondContact O-CB 3.47Å; I498-D501 PolarHBondContact O-N 3.24Å; Y499-D501 VanDerWaalsContact C-N 3.3Å; Y499-D501 PolarHBondContact O-N 3.3Å; D501-L503 VanDerWaalsContact C-N 3.34Å; D501-L503 PolarHBondContact O-N 2.87Å; D501-T504 CarbonylContact O-C 3.57Å; D501-T504 WeakPolarHBondContact O-CA 3.46Å; D501-T504 WeakPolarHBondContact O-CB 3.36Å; D501-T504 PolarHBondContact O-N 3.29Å; D501-E505 PolarHBondContact O-N 3.42Å; D501-R573 IonicContact OD1-CZ 3.61Å; D501-R573 VanDerWaalsContact OD1-CZ 3.27Å; D501-R573 IonicContact OD1-NH1 3.25Å; D501-R573 PolarHBondContact OD1-NH1 2.8Å; D501-R573 IonicContact OD1-NH2 2.93Å; D501-R573 PolarHBondContact OD1-NH2 2.82Å; D501-R573 IonicContact OD2-NH2 2.76Å
502I95.1Very high94.5Very high80 Ų8062.4 Ų62.441%0.4130%0.302SS..Hα-helixtrans-57.7-47.4176.7-62.9168.7000110.9I498 Y499 T504 E505 Q506I498-I502 PolarHBondContact O-N 2.93Å; Y499-I502 PolarHBondContact O-N 2.71Å; I502-T504 VanDerWaalsContact C-N 3.26Å; I502-T504 PolarHBondContact O-N 3.34Å; I502-E505 PolarHBondContact O-N 3.09Å; I502-Q506 WeakPolarHBondContact O-CG 3.36Å; I502-Q506 PolarHBondContact O-N 3.21Å; I502-Q506 VanDerWaalsContact O-N 3.11Å
503L95.9Very high94.7Very high2 Ų257.5 Ų57.51%0.0128%0.28CS..Hα-helixtrans-64-33.6176.8-71.1178.2000112.1T478 Q481 R482 Y499 D501 L507T478-L503 HydrophobicContact CG2-CD2 4.37Å; T478-L503 WeakPolarHBondContact CG2-O 3.43Å; Q481-L503 HydrophobicContact CB-CD1 4.42Å; Q481-L503 HydrophobicContact CB-CD2 4.09Å; R482-L503 HydrophobicContact CB-CB 4.33Å; R482-L503 HydrophobicContact CB-CD1 4.41Å; R482-L503 HydrophobicContact CG-CB 4.4Å; Y499-L503 HydrophobicContact CD1-CD1 4.03Å; Y499-L503 HydrophobicContact CE1-CD1 3.59Å; Y499-L503 HydrophobicContact CE1-CG 4.24Å; Y499-L503 HydrophobicContact CE2-CD1 4.48Å; Y499-L503 HydrophobicContact CE2-CD2 4.46Å; Y499-L503 HydrophobicContact CE2-CG 4.25Å; Y499-L503 WeakPolarHBondContact O-CG 3.23Å; Y499-L503 PolarHBondContact O-N 2.93Å; Y499-L503 VanDerWaalsContact O-N 3.12Å; D501-L503 VanDerWaalsContact C-N 3.34Å; D501-L503 PolarHBondContact O-N 2.87Å; L503-L507 WeakPolarHBondContact O-CB 3.31Å; L503-L507 PolarHBondContact O-N 3.12Å
504T97.5Very high95.1Very high1 Ų150.8 Ų50.81%0.00625%0.251CS..Hα-helixtrans-70.4-43.9178.6-63.90000111.2R482 L500 D501 I502 L507 V508 L566 L569R482-T504 PolarHBondContact NE-OG1 3.34Å; R482-T504 VanDerWaalsContact NE-OG1 3.1Å; R482-T504 PolarHBondContact NH2-OG1 3.19Å; L500-T504 VanDerWaalsContact O-CB 3.25Å; L500-T504 WeakPolarHBondContact O-CB 3.38Å; L500-T504 PolarHBondContact O-N 3.17Å; L500-T504 PolarHBondContact O-OG1 2.82Å; D501-T504 CarbonylContact O-C 3.57Å; D501-T504 WeakPolarHBondContact O-CA 3.46Å; D501-T504 WeakPolarHBondContact O-CB 3.36Å; D501-T504 PolarHBondContact O-N 3.29Å; I502-T504 VanDerWaalsContact C-N 3.26Å; I502-T504 PolarHBondContact O-N 3.34Å; T504-L507 PolarHBondContact O-N 3.05Å; T504-V508 HydrophobicContact CG2-CG2 4.46Å; T504-V508 WeakPolarHBondContact O-CB 3.11Å; T504-V508 VanDerWaalsContact O-CG2 3.25Å; T504-V508 WeakPolarHBondContact O-CG2 3.14Å; T504-V508 PolarHBondContact O-N 3.43Å; T504-L566 HydrophobicContact CG2-CD1 3.95Å; T504-L569 HydrophobicContact CG2-CB 4.3Å; T504-L569 HydrophobicContact CG2-CD1 3.85Å
505E97.1Very high95.4Very high85 Ų8546.7 Ų46.740%0.39723%0.232SC..Hα-helixtrans-59.5-49.7174.5-71.2-174.4172.500111.2D501 I502 L507 V508 D509D501-E505 PolarHBondContact O-N 3.42Å; I502-E505 PolarHBondContact O-N 3.09Å; E505-L507 VanDerWaalsContact C-N 3.34Å; E505-L507 PolarHBondContact O-N 2.71Å; E505-V508 PolarHBondContact O-N 2.8Å; E505-D509 PolarHBondContact O-N 3.29Å
506Q97Very high96Very high82 Ų8240.6 Ų40.638%0.38320%0.195SC..Hα-helixtrans-60.5-41.8177-70.7-179.4-17.600112.6T478 I502 V508 D509 F510T478-Q506 HydrophobicContact CG2-CB 3.87Å; I502-Q506 WeakPolarHBondContact O-CG 3.36Å; I502-Q506 PolarHBondContact O-N 3.21Å; I502-Q506 VanDerWaalsContact O-N 3.11Å; Q506-V508 VanDerWaalsContact C-N 3.3Å; Q506-V508 PolarHBondContact O-N 3.19Å; Q506-D509 PolarHBondContact O-N 3.06Å; Q506-F510 WeakPolarHBondContact O-CD2 3.13Å; Q506-F510 PolarHBondContact O-N 2.93Å
507L98.4Very high96.5Very high0 Ų038.3 Ų38.30%018%0.182CC..Hα-helixtrans-61-43.9177.6-176.978.1000110.7Y475 T478 L479 L503 T504 E505 G511 L569 T582Y475-L507 HydrophobicContact CD2-CD1 3.65Å; Y475-L507 HydrophobicContact CD2-CG 4.22Å; Y475-L507 WeakPolarHBondContact CD2-O 3.45Å; Y475-L507 HydrophobicContact CE2-CD1 3.36Å; Y475-L507 HydrophobicContact CE2-CG 3.74Å; Y475-L507 HydrophobicContact CG-CD1 4.49Å; T478-L507 HydrophobicContact CG2-CB 4Å; T478-L507 HydrophobicContact CG2-CD1 4.43Å; L479-L507 HydrophobicContact CB-CD1 3.75Å; L479-L507 HydrophobicContact CD1-CD1 4.15Å; L503-L507 WeakPolarHBondContact O-CB 3.31Å; L503-L507 PolarHBondContact O-N 3.12Å; T504-L507 PolarHBondContact O-N 3.05Å; E505-L507 VanDerWaalsContact C-N 3.34Å; E505-L507 PolarHBondContact O-N 2.71Å; L507-G511 WeakPolarHBondContact O-CA 3.21Å; L507-G511 PolarHBondContact O-N 3.29Å; L507-L569 HydrophobicContact CD2-CD1 4.23Å; L507-T582 HydrophobicContact CD2-CG2 4.18Å
508V98.4Very high96.8Very high2 Ų234 Ų341%0.01216%0.162CC..Hα-helixtrans-68.1-41.8-179.3165.80000110.8T504 E505 Q506 G511 S512 R562 F565 L566 L569T504-V508 HydrophobicContact CG2-CG2 4.46Å; T504-V508 WeakPolarHBondContact O-CB 3.11Å; T504-V508 VanDerWaalsContact O-CG2 3.25Å; T504-V508 WeakPolarHBondContact O-CG2 3.14Å; T504-V508 PolarHBondContact O-N 3.43Å; E505-V508 PolarHBondContact O-N 2.8Å; Q506-V508 VanDerWaalsContact C-N 3.3Å; Q506-V508 PolarHBondContact O-N 3.19Å; V508-G511 PolarHBondContact O-N 2.75Å; V508-S512 VanDerWaalsContact O-CB 3.27Å; V508-S512 WeakPolarHBondContact O-CB 3.39Å; V508-S512 PolarHBondContact O-N 2.59Å; V508-S512 PolarHBondContact O-OG 3.44Å; V508-R562 HydrophobicContact CG1-CB 4.32Å; V508-R562 HydrophobicContact CG1-CG 3.54Å; V508-R562 WeakPolarHBondContact CG1-O 3.3Å; V508-F565 HydrophobicContact CB-CD1 4.4Å; V508-F565 HydrophobicContact CG1-CB 4.18Å; V508-F565 HydrophobicContact CG1-CD1 4.37Å; V508-F565 HydrophobicContact CG1-CG 4.42Å; V508-F565 HydrophobicContact CG2-CB 4.32Å; V508-F565 HydrophobicContact CG2-CD1 4.13Å; V508-F565 HydrophobicContact CG2-CD2 4.2Å; V508-F565 HydrophobicContact CG2-CG 3.93Å; V508-L566 HydrophobicContact CG1-CB 4.27Å; V508-L566 HydrophobicContact CG2-CB 4.43Å; V508-L566 HydrophobicContact CG2-CD1 4.37Å; V508-L569 HydrophobicContact CG2-CD1 3.61Å
509D97.5Very high97Very high55 Ų5529.9 Ų29.929%0.29414%0.141SC..Hα-helixtrans-59.4-50.6178.7-69.2-15.8000111.9E505 Q506 R562E505-D509 PolarHBondContact O-N 3.29Å; Q506-D509 PolarHBondContact O-N 3.06Å; D509-R562 IonicContact OD1-CZ 3.76Å; D509-R562 IonicContact OD1-NE 3.05Å; D509-R562 PolarHBondContact OD1-NE 3.43Å; D509-R562 IonicContact OD1-NH2 3.46Å; D509-R562 PolarHBondContact OD1-NH2 3.32Å
510F97.9Very high97.1Very high37 Ų3730.4 Ų30.416%0.16214%0.143CC..Hα-helixtrans-72.4-41.8177.3-67.2-63.2000112.3Y470 D471 Q474 Q506 S512 K513 V514Y470-F510 HydrophobicContact CE1-CE1 4.11Å; D471-F510 HydrophobicContact CB-CD1 4.4Å; D471-F510 WeakPolarHBondContact OD1-CD1 3.09Å; Q474-F510 HydrophobicContact CB-CD1 3.67Å; Q474-F510 HydrophobicContact CB-CD2 3.64Å; Q474-F510 HydrophobicContact CB-CE1 3.62Å; Q474-F510 HydrophobicContact CB-CE2 3.6Å; Q474-F510 HydrophobicContact CB-CG 3.69Å; Q474-F510 HydrophobicContact CB-CZ 3.59Å; Q474-F510 HydrophobicContact CG-CD1 4.23Å; Q474-F510 HydrophobicContact CG-CE1 3.74Å; Q474-F510 HydrophobicContact CG-CE2 4.22Å; Q474-F510 HydrophobicContact CG-CZ 3.74Å; Q506-F510 WeakPolarHBondContact O-CD2 3.13Å; Q506-F510 PolarHBondContact O-N 2.93Å; F510-S512 VanDerWaalsContact C-N 3.3Å; F510-S512 PolarHBondContact O-N 3.26Å; F510-K513 PolarHBondContact O-N 2.77Å; F510-V514 WeakPolarHBondContact O-CG2 3.41Å; F510-V514 PolarHBondContact O-N 2.77Å; F510-V514 VanDerWaalsContact O-N 3.1Å
511G98.3Very high97.1Very high0 Ų030.7 Ų30.70%014%0.144CC..Hα-helixtrans-66.1-31.7-176.400000113.2L507 V508 V514 L515L507-G511 WeakPolarHBondContact O-CA 3.21Å; L507-G511 PolarHBondContact O-N 3.29Å; V508-G511 PolarHBondContact O-N 2.75Å; G511-V514 PolarHBondContact O-N 2.91Å; G511-L515 WeakPolarHBondContact O-CB 3.34Å; G511-L515 VanDerWaalsContact O-CG 3.24Å; G511-L515 WeakPolarHBondContact O-CG 3.44Å; G511-L515 PolarHBondContact O-N 3.28Å
512S98.3Very high97.1Very high0 Ų028.3 Ų28.30%013%0.131CC..Hα-helixtrans-68.1-38.6176.5-55.10000112.1V508 F510 L515 A516 R562V508-S512 VanDerWaalsContact O-CB 3.27Å; V508-S512 WeakPolarHBondContact O-CB 3.39Å; V508-S512 PolarHBondContact O-N 2.59Å; V508-S512 PolarHBondContact O-OG 3.44Å; F510-S512 VanDerWaalsContact C-N 3.3Å; F510-S512 PolarHBondContact O-N 3.26Å; S512-L515 PolarHBondContact O-N 3.45Å; S512-A516 WeakPolarHBondContact O-CB 3.05Å; S512-A516 PolarHBondContact O-N 3.45Å; S512-R562 WeakPolarHBondContact OG-CA 3.33Å; S512-R562 PolarHBondContact OG-N 3.21Å
513K97.6Very high97.2Very high80 Ų8030.6 Ų30.635%0.34814%0.138SC..Hα-helixtrans-66.7-41.7174.3-61.9173.6-171.6177.20111.8D471 F510 A516 N517 V558D471-K513 HydrophobicContact CB-CB 4.46Å; D471-K513 IonicContact OD1-NZ 2.63Å; D471-K513 WeakPolarHBondContact OD2-CB 3.41Å; D471-K513 VanDerWaalsContact OD2-CD 3.25Å; D471-K513 WeakPolarHBondContact OD2-CD 3.44Å; F510-K513 PolarHBondContact O-N 2.77Å; K513-A516 PolarHBondContact O-N 2.7Å; K513-N517 PolarHBondContact O-N 2.89Å; K513-N517 VanDerWaalsContact O-N 3.14Å; K513-N517 PolarHBondContact O-ND2 3.05Å; K513-V558 HydrophobicContact CG-CG1 4.03Å
514V98Very high97.1Very high0 Ų033.6 Ų33.60%015%0.151CC..Hα-helixtrans-59.9-49174.3170.80000110.3Y468 D471 L472 F510 G511 A516 N517 R518 P586Y468-V514 HydrophobicContact CE2-CB 4.3Å; Y468-V514 HydrophobicContact CE2-CG1 3.81Å; Y468-V514 HydrophobicContact CE2-CG2 4.44Å; D471-V514 HydrophobicContact CB-CG2 4.16Å; L472-V514 HydrophobicContact CB-CG2 4.25Å; L472-V514 HydrophobicContact CD1-CG1 4.25Å; L472-V514 HydrophobicContact CD1-CG2 4.44Å; F510-V514 WeakPolarHBondContact O-CG2 3.41Å; F510-V514 PolarHBondContact O-N 2.77Å; F510-V514 VanDerWaalsContact O-N 3.1Å; G511-V514 PolarHBondContact O-N 2.91Å; V514-A516 PolarHBondContact O-N 3.02Å; V514-N517 PolarHBondContact O-N 2.88Å; V514-R518 HydrophobicContact CG1-CG 4.47Å; V514-R518 WeakPolarHBondContact O-CG 3.49Å; V514-R518 PolarHBondContact O-N 2.93Å; V514-P586 HydrophobicContact CB-CG 4.21Å; V514-P586 HydrophobicContact CG1-CB 3.76Å; V514-P586 HydrophobicContact CG1-CG 3.82Å
515L97.9Very high97.1Very high0 Ų033.6 Ų33.60%015%0.151CC..Hα-helixtrans-59.5-46.6178.3-75.6166.8000112.7G511 S512 N517 R518 L519 Y547 L551 L553 I561 F565 P586 D589G511-L515 WeakPolarHBondContact O-CB 3.34Å; G511-L515 VanDerWaalsContact O-CG 3.24Å; G511-L515 WeakPolarHBondContact O-CG 3.44Å; G511-L515 PolarHBondContact O-N 3.28Å; S512-L515 PolarHBondContact O-N 3.45Å; L515-N517 VanDerWaalsContact C-N 3.32Å; L515-N517 PolarHBondContact O-N 3.29Å; L515-R518 PolarHBondContact O-N 2.59Å; L515-L519 WeakPolarHBondContact O-CG 3.14Å; L515-L519 PolarHBondContact O-N 2.93Å; L515-Y547 HydrophobicContact CD2-CE1 4.13Å; L515-L551 HydrophobicContact CD1-CD1 3.67Å; L515-L553 HydrophobicContact CB-CD1 4.41Å; L515-L553 HydrophobicContact CD1-CD1 4.25Å; L515-L553 HydrophobicContact CD2-CD1 4.21Å; L515-I561 HydrophobicContact CB-CD1 4.42Å; L515-I561 HydrophobicContact CB-CG2 4.1Å; L515-I561 HydrophobicContact CD1-CG2 3.74Å; L515-F565 HydrophobicContact CD1-CD1 4.16Å; L515-F565 HydrophobicContact CD1-CE1 4.28Å; L515-P586 HydrophobicContact CD2-CB 4.02Å; L515-P586 HydrophobicContact CD2-CG 4.42Å; L515-P586 HydrophobicContact CG-CB 4.25Å; L515-P586 HydrophobicContact CG-CG 4.16Å; L515-D589 WeakPolarHBondContact CD2-OD2 3.47Å
516A97.5Very high97.1Very high0 Ų032.4 Ų32.40%015%0.146CC..Hα-helixtrans-58.1-44.6178.500000112.1S512 K513 V514 R520 E556 V558 I561S512-A516 WeakPolarHBondContact O-CB 3.05Å; S512-A516 PolarHBondContact O-N 3.45Å; K513-A516 PolarHBondContact O-N 2.7Å; V514-A516 PolarHBondContact O-N 3.02Å; A516-R520 PolarHBondContact O-N 3.4Å; A516-R520 VanDerWaalsContact O-N 3.16Å; A516-E556 WeakPolarHBondContact CB-O 3.44Å; A516-V558 HydrophobicContact CB-CG2 3.79Å; A516-I561 HydrophobicContact CB-CD1 3.89Å
517N96.4Very high97Very high23 Ų2336 Ų3612%0.12316%0.157CC..Hα-helixtrans-67.3-39.3177.1-76-58.9000112.5Y468 K513 V514 L515 R520 F521Y468-N517 HydrophobicContact CD2-CB 3.67Å; Y468-N517 HydrophobicContact CE2-CB 4.19Å; K513-N517 PolarHBondContact O-N 2.89Å; K513-N517 VanDerWaalsContact O-N 3.14Å; K513-N517 PolarHBondContact O-ND2 3.05Å; V514-N517 PolarHBondContact O-N 2.88Å; L515-N517 VanDerWaalsContact C-N 3.32Å; L515-N517 PolarHBondContact O-N 3.29Å; N517-R520 PolarHBondContact O-N 3.33Å; N517-R520 PolarHBondContact OD1-NH2 3.34Å; N517-F521 VanDerWaalsContact O-CB 3.31Å; N517-F521 WeakPolarHBondContact O-CB 3.33Å; N517-F521 PolarHBondContact O-N 2.65Å
518R97.5Very high96.8Very high3 Ų338.7 Ų38.71%0.01117%0.167CC..Hα-helixtrans-63.7-44176-72.5-173.6173.9-175.2-0.3112.9I457 D458 L461 Y468 V514 L515 R520 F521 V522 Y547 P586I457-R518 HydrophobicContact CG2-CB 4.5Å; I457-R518 HydrophobicContact CG2-CG 3.72Å; D458-R518 VanDerWaalsContact CG-NH2 3.31Å; D458-R518 IonicContact OD1-CZ 3.85Å; D458-R518 IonicContact OD1-NE 3.26Å; D458-R518 IonicContact OD1-NH2 2.63Å; D458-R518 PolarHBondContact OD1-NH2 3.32Å; D458-R518 IonicContact OD2-NH2 2.75Å; D458-R518 PolarHBondContact OD2-NH2 3.01Å; L461-R518 HydrophobicContact CD1-CB 4.45Å; L461-R518 HydrophobicContact CD1-CG 3.77Å; Y468-R518 HydrophobicContact CE2-CG 4.1Å; Y468-R518 PolarHBondContact OH-NE 2.89Å; V514-R518 HydrophobicContact CG1-CG 4.47Å; V514-R518 WeakPolarHBondContact O-CG 3.49Å; V514-R518 PolarHBondContact O-N 2.93Å; L515-R518 PolarHBondContact O-N 2.59Å; R518-R520 PolarHBondContact O-N 2.91Å; R518-F521 PolarHBondContact O-N 3.01Å; R518-V522 VanDerWaalsContact O-CG2 3.26Å; R518-V522 WeakPolarHBondContact O-CG2 3.35Å; R518-V522 PolarHBondContact O-N 3.33Å; R518-Y547 HydrophobicContact CB-CE2 3.89Å; R518-Y547 WeakPolarHBondContact CD-OH 3.3Å; R518-Y547 PolarHBondContact NH1-OH 3.41Å; R518-Y547 VanDerWaalsContact NH1-OH 3.15Å; R518-P586 PolarHBondContact NH1-O 2.59Å
519L96.8Very high96.7Very high27 Ų2738.6 Ų38.614%0.14117%0.166CC..Hα-helixtrans-60.1-45.7176.6-71.7169.4000111.4L515 V522 K523 Y547 L553 E556 I561L515-L519 WeakPolarHBondContact O-CG 3.14Å; L515-L519 PolarHBondContact O-N 2.93Å; L519-V522 PolarHBondContact O-N 3.33Å; L519-K523 PolarHBondContact O-N 2.94Å; L519-Y547 HydrophobicContact CD2-CD1 3.57Å; L519-Y547 HydrophobicContact CD2-CE1 4.33Å; L519-Y547 HydrophobicContact CD2-CG 4.09Å; L519-Y547 HydrophobicContact CG-CD1 4.34Å; L519-L553 HydrophobicContact CD1-CD1 3.98Å; L519-E556 HydrophobicContact CB-CG 3.71Å; L519-E556 HydrophobicContact CD1-CG 4.12Å; L519-I561 HydrophobicContact CD1-CD1 4.2Å
520R95.4Very high96.6Very high106 Ų10638.4 Ų38.440%0.417%0.165SC..Hα-helixtrans-59.5-48.8174.8-78.8-170.3-69.9-113.85.6112.4A516 N517 R518 V522 K523 K524 E556A516-R520 PolarHBondContact O-N 3.4Å; A516-R520 VanDerWaalsContact O-N 3.16Å; N517-R520 PolarHBondContact O-N 3.33Å; N517-R520 PolarHBondContact OD1-NH2 3.34Å; R518-R520 PolarHBondContact O-N 2.91Å; R520-V522 PolarHBondContact O-N 2.73Å; R520-K523 PolarHBondContact O-N 2.85Å; R520-K524 PolarHBondContact O-N 3.35Å; R520-E556 HydrophobicContact CG-CG 4.46Å; R520-E556 WeakPolarHBondContact CG-OE2 3.33Å
521F95.3Very high96.3Very high7 Ų739.6 Ų39.63%0.03117%0.174CC..Hα-helixtrans-59.5-45.9179.9175-102.1000112.2I457 E460 L461 I464 N517 R518 K523 K524 L525 L623I457-F521 HydrophobicContact CG1-CE1 4.48Å; I457-F521 HydrophobicContact CG2-CD1 4.19Å; I457-F521 HydrophobicContact CG2-CE1 4.43Å; E460-F521 HydrophobicContact CB-CE2 4.14Å; E460-F521 HydrophobicContact CB-CZ 3.73Å; E460-F521 HydrophobicContact CG-CZ 4.45Å; L461-F521 HydrophobicContact CD1-CB 3.94Å; L461-F521 HydrophobicContact CD1-CD1 4.32Å; L461-F521 HydrophobicContact CD1-CG 4.1Å; L461-F521 HydrophobicContact CD2-CB 3.53Å; L461-F521 HydrophobicContact CD2-CD2 3.64Å; L461-F521 HydrophobicContact CD2-CE2 4.49Å; L461-F521 HydrophobicContact CD2-CG 3.69Å; L461-F521 HydrophobicContact CG-CB 3.9Å; L461-F521 HydrophobicContact CG-CD1 4.15Å; L461-F521 HydrophobicContact CG-CD2 3.86Å; L461-F521 HydrophobicContact CG-CE2 4.41Å; L461-F521 HydrophobicContact CG-CG 3.7Å; I464-F521 HydrophobicContact CD1-CD2 4.12Å; I464-F521 HydrophobicContact CD1-CE2 4.23Å; N517-F521 VanDerWaalsContact O-CB 3.31Å; N517-F521 WeakPolarHBondContact O-CB 3.33Å; N517-F521 PolarHBondContact O-N 2.65Å; R518-F521 PolarHBondContact O-N 3.01Å; F521-K523 VanDerWaalsContact C-N 3.32Å; F521-K523 PolarHBondContact O-N 3.13Å; F521-K524 PolarHBondContact O-N 3.48Å; F521-L525 HydrophobicContact CE1-CD2 4Å; F521-L525 HydrophobicContact CZ-CD2 4.46Å; F521-L525 WeakPolarHBondContact O-CB 3.2Å; F521-L525 PolarHBondContact O-N 2.9Å; F521-L623 HydrophobicContact CD2-CD1 3.99Å; F521-L623 HydrophobicContact CD2-CD2 3.88Å; F521-L623 HydrophobicContact CE2-CD1 3.79Å; F521-L623 HydrophobicContact CE2-CD2 3.51Å; F521-L623 HydrophobicContact CE2-CG 4.35Å; F521-L623 HydrophobicContact CZ-CD1 4.45Å
522V96.3Very high96Very high4 Ų439.9 Ų39.92%0.02418%0.175CC..Hα-helixtrans-65.6-35.6-178173.10000112R518 L519 R520 L525 E526 I545 Y547 L591R518-V522 VanDerWaalsContact O-CG2 3.26Å; R518-V522 WeakPolarHBondContact O-CG2 3.35Å; R518-V522 PolarHBondContact O-N 3.33Å; L519-V522 PolarHBondContact O-N 3.33Å; R520-V522 PolarHBondContact O-N 2.73Å; V522-L525 PolarHBondContact O-N 3.12Å; V522-E526 WeakPolarHBondContact O-CB 3.32Å; V522-E526 PolarHBondContact O-N 2.97Å; V522-I545 HydrophobicContact CG1-CB 4.4Å; V522-I545 HydrophobicContact CG1-CG2 3.89Å; V522-Y547 HydrophobicContact CG2-CD2 3.85Å; V522-L591 HydrophobicContact CG1-CD2 4.06Å; V522-L591 HydrophobicContact CG2-CD2 3.58Å
523K95.5Very high95.8Very high128 Ų12839.9 Ų39.956%0.55718%0.175SC*.Hα-helixtrans-62.8-43.8173.5-73.5-176.2180176.40112.7L519 R520 F521 Y527 E556L519-K523 PolarHBondContact O-N 2.94Å; R520-K523 PolarHBondContact O-N 2.85Å; F521-K523 VanDerWaalsContact C-N 3.32Å; F521-K523 PolarHBondContact O-N 3.13Å; K523-Y527 PolarHBondContact O-N 3.08Å; K523-E556 WeakPolarHBondContact CD-OE1 3.24Å; K523-E556 WeakPolarHBondContact CE-OE1 3.36Å; K523-E556 IonicContact NZ-OE1 2.69Å; K523-E556 PolarHBondContact NZ-OE1 2.83Å
524K95.2Very high95.5Very high66 Ų6636.1 Ų36.129%0.28716%0.159SC..Hα-helixtrans-66.9-41.7175.7-66.9-168.2175.8-154.90111.6R520 F521 E526 Y527 W528 L623 E626 E627R520-K524 PolarHBondContact O-N 3.35Å; F521-K524 PolarHBondContact O-N 3.48Å; K524-E526 VanDerWaalsContact C-N 3.33Å; K524-E526 PolarHBondContact O-N 2.95Å; K524-Y527 WeakPolarHBondContact O-CB 3.48Å; K524-Y527 PolarHBondContact O-N 3.16Å; K524-W528 VanDerWaalsContact O-CD1 3.27Å; K524-W528 PolarHBondContact O-N 2.94Å; K524-W528 VanDerWaalsContact O-N 3.13Å; K524-L623 HydrophobicContact CB-CD1 3.84Å; K524-L623 HydrophobicContact CB-CG 4.38Å; K524-E626 WeakPolarHBondContact CE-OE1 3.45Å; K524-E626 IonicContact NZ-OE1 3.87Å; K524-E626 PolarHBondContact NZ-OE1 3.02Å; K524-E627 WeakPolarHBondContact CD-OE1 3.5Å; K524-E627 WeakPolarHBondContact CE-OE1 3.43Å; K524-E627 IonicContact NZ-OE1 3.5Å; K524-E627 PolarHBondContact NZ-OE1 3.18Å
525L96.3Very high95.1Very high0 Ų041 Ų410%018%0.18CC..Hα-helixtrans-61.6-42.7177.2-176.567.6000111.1F456 F521 V522 S529 I545 V616 A619 L623F456-L525 HydrophobicContact CE1-CD2 3.83Å; F456-L525 HydrophobicContact CZ-CD2 4.18Å; F521-L525 HydrophobicContact CE1-CD2 4Å; F521-L525 HydrophobicContact CZ-CD2 4.46Å; F521-L525 WeakPolarHBondContact O-CB 3.2Å; F521-L525 PolarHBondContact O-N 2.9Å; V522-L525 PolarHBondContact O-N 3.12Å; L525-S529 WeakPolarHBondContact O-CB 3.4Å; L525-S529 PolarHBondContact O-N 3.01Å; L525-S529 PolarHBondContact O-OG 2.91Å; L525-I545 HydrophobicContact CD2-CD1 4.23Å; L525-I545 HydrophobicContact CG-CD1 4.03Å; L525-V616 HydrophobicContact CD1-CG1 4.35Å; L525-V616 HydrophobicContact CD2-CG1 4.16Å; L525-A619 HydrophobicContact CD1-CB 4.28Å; L525-L623 HydrophobicContact CB-CD1 3.92Å; L525-L623 HydrophobicContact CD1-CD1 4.3Å
526E96.9Very high94.7Very high61 Ų6141.3 Ų41.329%0.28518%0.182SC..Hα-helixtrans-57.9-48.3174.6-179.7176.5-143.700111.3V522 K524 S529 N530 A544 I545V522-E526 WeakPolarHBondContact O-CB 3.32Å; V522-E526 PolarHBondContact O-N 2.97Å; K524-E526 VanDerWaalsContact C-N 3.33Å; K524-E526 PolarHBondContact O-N 2.95Å; E526-S529 PolarHBondContact O-N 2.96Å; E526-N530 WeakPolarHBondContact O-CB 3.3Å; E526-N530 PolarHBondContact O-N 3.04Å; E526-A544 VanDerWaalsContact OE1-CA 3.23Å; E526-A544 WeakPolarHBondContact OE1-CA 3.35Å; E526-A544 WeakPolarHBondContact OE1-CB 3.49Å; E526-I545 HydrophobicContact CB-CB 4.09Å; E526-I545 HydrophobicContact CB-CG1 4.28Å; E526-I545 HydrophobicContact CG-CB 4.38Å; E526-I545 HydrophobicContact CG-CG1 4.45Å; E526-I545 PolarHBondContact OE1-N 3.42Å; E526-I545 VanDerWaalsContact OE1-N 3.1Å
527Y95.7Very high94.3Very high156 Ų15642.1 Ų42.161%0.61219%0.186SC*.Hα-helixtrans-55.7-55.2179.5174.2-96.1000112K523 K524 N530 D531K523-Y527 PolarHBondContact O-N 3.08Å; K524-Y527 WeakPolarHBondContact O-CB 3.48Å; K524-Y527 PolarHBondContact O-N 3.16Å; Y527-N530 PolarHBondContact O-N 3.2Å; Y527-D531 PolarHBondContact O-N 3.41Å
528W94.7Very high93.9Very high57 Ų5745.8 Ų45.822%0.21621%0.206CC..Hα-helixtrans-68-38.3-179.1-70.9114.7000112.6K524 N530 L532 A619 D622 E626K524-W528 VanDerWaalsContact O-CD1 3.27Å; K524-W528 PolarHBondContact O-N 2.94Å; K524-W528 VanDerWaalsContact O-N 3.13Å; W528-N530 VanDerWaalsContact C-N 3.34Å; W528-N530 PolarHBondContact O-N 3.29Å; W528-L532 PolarHBondContact O-N 3.14Å; W528-L532 VanDerWaalsContact O-N 3.16Å; W528-A619 HydrophobicContact CB-CB 3.77Å; W528-D622 HydrophobicContact CD2-CB 3.63Å; W528-D622 HydrophobicContact CE3-CB 3.52Å; W528-D622 HydrophobicContact CG-CB 4.22Å; W528-D622 HydrophobicContact CH2-CB 4.14Å; W528-D622 HydrophobicContact CZ2-CB 4.25Å; W528-D622 HydrophobicContact CZ3-CB 3.79Å; W528-E626 PolarHBondContact NE1-OE2 3.47Å
529S95.9Very high93.5Very high0 Ų052.3 Ų52.30%024%0.237CC..Hα-helixtrans-65.8-38.1177.9-59.10000111.9L525 E526 H533 A619L525-S529 WeakPolarHBondContact O-CB 3.4Å; L525-S529 PolarHBondContact O-N 3.01Å; L525-S529 PolarHBondContact O-OG 2.91Å; E526-S529 PolarHBondContact O-N 2.96Å; S529-H533 WeakPolarHBondContact O-CB 3.48Å; S529-H533 PolarHBondContact O-N 3.36Å; S529-A619 VanDerWaalsContact OG-CB 3.31Å; S529-A619 WeakPolarHBondContact OG-CB 3.47Å
530N95.4Very high93.2Very high52 Ų5258.8 Ų58.828%0.27826%0.264SS..Hα-helixtrans-66.4-47.9179.2-172.9-51.3000111.5E526 Y527 W528 L532 H533 G534 T542 L543E526-N530 WeakPolarHBondContact O-CB 3.3Å; E526-N530 PolarHBondContact O-N 3.04Å; Y527-N530 PolarHBondContact O-N 3.2Å; W528-N530 VanDerWaalsContact C-N 3.34Å; W528-N530 PolarHBondContact O-N 3.29Å; N530-L532 VanDerWaalsContact C-N 3.32Å; N530-L532 PolarHBondContact O-N 2.9Å; N530-H533 PolarHBondContact O-N 2.81Å; N530-G534 PolarHBondContact O-N 3.47Å; N530-T542 VanDerWaalsContact ND2-CG2 3.25Å; N530-T542 WeakPolarHBondContact ND2-CG2 3.41Å; N530-L543 PolarHBondContact ND2-O 3.2Å
531D91.8Very high93.2Very high62 Ų6255.4 Ų55.433%0.33225%0.252SS..Hα-helixtrans-56.4-48.1177.6179.663.9000111.2Y527 G534 K535Y527-D531 PolarHBondContact O-N 3.41Å; D531-G534 PolarHBondContact O-N 3.21Å; D531-K535 WeakPolarHBondContact O-CG 2.98Å; D531-K535 PolarHBondContact O-N 3.36Å; D531-K535 VanDerWaalsContact O-N 3.11Å; D531-K535 VanDerWaalsContact OD2-CE 3.27Å; D531-K535 WeakPolarHBondContact OD2-CE 3.4Å; D531-K535 IonicContact OD2-NZ 3.35Å; D531-K535 PolarHBondContact OD2-NZ 2.94Å
532L91.6Very high93.2Very high6 Ų658.9 Ų58.93%0.03128%0.275CS..Hα-helixtrans-68.9-39.3179.1-172.263.2000112.9W528 N530 G534 K535 I536 L618 T654W528-L532 PolarHBondContact O-N 3.14Å; W528-L532 VanDerWaalsContact O-N 3.16Å; N530-L532 VanDerWaalsContact C-N 3.32Å; N530-L532 PolarHBondContact O-N 2.9Å; L532-G534 VanDerWaalsContact C-N 3.28Å; L532-G534 PolarHBondContact O-N 3.15Å; L532-K535 HydrophobicContact CD1-CD 4.32Å; L532-K535 WeakPolarHBondContact O-CB 3.25Å; L532-K535 PolarHBondContact O-N 2.97Å; L532-K535 VanDerWaalsContact O-N 3.1Å; L532-I536 HydrophobicContact CD1-CD1 4.41Å; L532-I536 HydrophobicContact CD2-CD1 4.41Å; L532-I536 HydrophobicContact CG-CD1 3.91Å; L532-I536 HydrophobicContact CG-CG1 4.45Å; L532-I536 WeakPolarHBondContact O-CG1 3.22Å; L532-I536 PolarHBondContact O-N 3.45Å; L532-L618 HydrophobicContact CD2-CB 3.17Å; L532-L618 HydrophobicContact CD2-CD1 3.95Å; L532-L618 HydrophobicContact CD2-CG 4.2Å; L532-T654 HydrophobicContact CD1-CG2 4.24Å
533H94Very high93.2Very high0 Ų058.7 Ų58.70%027%0.274CS..Hα-helixtrans-61.1-40.3175.9-165.883.9000111.4S529 N530 K535 I536 T537 E541 L543 S615S529-H533 WeakPolarHBondContact O-CB 3.48Å; S529-H533 PolarHBondContact O-N 3.36Å; N530-H533 PolarHBondContact O-N 2.81Å; H533-K535 VanDerWaalsContact C-N 3.35Å; H533-K535 PolarHBondContact O-N 3.25Å; H533-I536 PolarHBondContact O-N 2.79Å; H533-T537 WeakPolarHBondContact O-CB 3.23Å; H533-T537 VanDerWaalsContact O-CG2 3.25Å; H533-T537 WeakPolarHBondContact O-CG2 3.44Å; H533-T537 PolarHBondContact O-N 3.07Å; H533-T537 PolarHBondContact O-OG1 2.98Å; H533-E541 IonicContact CE1-OE2 3.5Å; H533-E541 WeakPolarHBondContact NE2-CB 3.42Å; H533-E541 IonicContact NE2-OE2 2.82Å; H533-E541 PolarHBondContact NE2-OE2 3.17Å; H533-L543 HydrophobicContact CB-CB 3.85Å; H533-L543 HydrophobicContact CB-CD2 4.12Å; H533-S615 WeakPolarHBondContact CA-OG 3.36Å; H533-S615 PolarHBondContact ND1-OG 2.99Å
534G92.2Very high93.3Very high1 Ų153.9 Ų53.91%0.0126%0.258CS..Hα-helixtrans-58.6-44.8171.900000111.7N530 D531 L532 N538 Q539N530-G534 PolarHBondContact O-N 3.47Å; D531-G534 PolarHBondContact O-N 3.21Å; L532-G534 VanDerWaalsContact C-N 3.28Å; L532-G534 PolarHBondContact O-N 3.15Å; G534-N538 PolarHBondContact O-N 3.32Å; G534-N538 VanDerWaalsContact O-N 3.16Å; G534-Q539 VanDerWaalsContact C-NE2 3.33Å; G534-Q539 PolarHBondContact O-N 2.86Å
535K88.6Confident93.4Very high102 Ų10251 Ų5144%0.44325%0.245SC..Hα-helixtrans-60.8-50.2176-69.1166.2178.9161.80112.1D531 L532 H533 T537 N538D531-K535 WeakPolarHBondContact O-CG 2.98Å; D531-K535 PolarHBondContact O-N 3.36Å; D531-K535 VanDerWaalsContact O-N 3.11Å; D531-K535 VanDerWaalsContact OD2-CE 3.27Å; D531-K535 WeakPolarHBondContact OD2-CE 3.4Å; D531-K535 IonicContact OD2-NZ 3.35Å; D531-K535 PolarHBondContact OD2-NZ 2.94Å; L532-K535 HydrophobicContact CD1-CD 4.32Å; L532-K535 WeakPolarHBondContact O-CB 3.25Å; L532-K535 PolarHBondContact O-N 2.97Å; L532-K535 VanDerWaalsContact O-N 3.1Å; H533-K535 VanDerWaalsContact C-N 3.35Å; H533-K535 PolarHBondContact O-N 3.25Å; K535-T537 VanDerWaalsContact C-N 3.31Å; K535-T537 PolarHBondContact O-N 3.21Å; K535-N538 PolarHBondContact O-N 3.12Å
536I89.4Confident93.4Very high7 Ų754.8 Ų54.84%0.03626%0.263CS..Hα-helixtrans-65.8-34.5-177.1-62.8163.7000112.1L532 H533 T611 L614 R647 H650L532-I536 HydrophobicContact CD1-CD1 4.41Å; L532-I536 HydrophobicContact CD2-CD1 4.41Å; L532-I536 HydrophobicContact CG-CD1 3.91Å; L532-I536 HydrophobicContact CG-CG1 4.45Å; L532-I536 WeakPolarHBondContact O-CG1 3.22Å; L532-I536 PolarHBondContact O-N 3.45Å; H533-I536 PolarHBondContact O-N 2.79Å; I536-T611 HydrophobicContact CB-CG2 4.38Å; I536-T611 HydrophobicContact CG2-CG2 3.71Å; I536-L614 HydrophobicContact CD1-CD2 4.07Å; I536-L614 HydrophobicContact CD1-CG 4.19Å; I536-R647 HydrophobicContact CG2-CG 4.35Å; I536-H650 HydrophobicContact CG1-CB 4Å
537T89.4Confident93.4Very high16 Ų1653.4 Ų53.410%0.09826%0.255CS..THydrogen-bonded Turntrans-923.9-176.764.30000113.2H533 K535 Q539 K540 E541 T611H533-T537 WeakPolarHBondContact O-CB 3.23Å; H533-T537 VanDerWaalsContact O-CG2 3.25Å; H533-T537 WeakPolarHBondContact O-CG2 3.44Å; H533-T537 PolarHBondContact O-N 3.07Å; H533-T537 PolarHBondContact O-OG1 2.98Å; K535-T537 VanDerWaalsContact C-N 3.31Å; K535-T537 PolarHBondContact O-N 3.21Å; T537-Q539 VanDerWaalsContact C-N 3.29Å; T537-Q539 PolarHBondContact O-N 3.14Å; T537-K540 WeakPolarHBondContact O-CB 3.2Å; T537-K540 WeakPolarHBondContact O-CD 3.27Å; T537-K540 VanDerWaalsContact O-CG 3.29Å; T537-K540 WeakPolarHBondContact O-CG 3.38Å; T537-K540 PolarHBondContact O-N 3.09Å; T537-E541 HydrophobicContact CG2-CB 4Å; T537-E541 HydrophobicContact CG2-CG 4.25Å; T537-E541 WeakPolarHBondContact CG2-OE2 3.38Å; T537-E541 PolarHBondContact OG1-N 3.33Å; T537-T611 HydrophobicContact CG2-CG2 3.84Å
538N87.2Confident93.4Very high101 Ų10150.1 Ų50.154%0.5425%0.248SC..THydrogen-bonded Turntrans53.845.1-171.2-66.4-61.6000112.5G534 K535 K540G534-N538 PolarHBondContact O-N 3.32Å; G534-N538 VanDerWaalsContact O-N 3.16Å; K535-N538 PolarHBondContact O-N 3.12Å; N538-K540 PolarHBondContact O-N 2.86Å
539Q90Very high93.5Very high140 Ų14048.4 Ų48.465%0.65425%0.246SC*.THydrogen-bonded Turntrans60.924.4177.4-57.9-67-2700113.9G534 T537G534-Q539 VanDerWaalsContact C-NE2 3.33Å; G534-Q539 PolarHBondContact O-N 2.86Å; T537-Q539 VanDerWaalsContact C-N 3.29Å; T537-Q539 PolarHBondContact O-N 3.14Å
540K91.4Very high93.6Very high163 Ų16350.2 Ų50.271%0.70926%0.259SS*.SBendtrans-88.3-20.1179.8-65.9177.3-175.4174.60113.4T537 N538T537-K540 WeakPolarHBondContact O-CB 3.2Å; T537-K540 WeakPolarHBondContact O-CD 3.27Å; T537-K540 VanDerWaalsContact O-CG 3.29Å; T537-K540 WeakPolarHBondContact O-CG 3.38Å; T537-K540 PolarHBondContact O-N 3.09Å; N538-K540 PolarHBondContact O-N 2.86Å
541E94Very high93.6Very high34 Ų3448.1 Ų48.116%0.15925%0.248CC..  trans-132.6141-173.4-63.5-171.914900110.1H533 T537 V595 N596 Q608H533-E541 IonicContact CE1-OE2 3.5Å; H533-E541 WeakPolarHBondContact NE2-CB 3.42Å; H533-E541 IonicContact NE2-OE2 2.82Å; H533-E541 PolarHBondContact NE2-OE2 3.17Å; T537-E541 HydrophobicContact CG2-CB 4Å; T537-E541 HydrophobicContact CG2-CG 4.25Å; T537-E541 WeakPolarHBondContact CG2-OE2 3.38Å; T537-E541 PolarHBondContact OG1-N 3.33Å; E541-V595 HydrophobicContact CB-CG1 3.78Å; E541-V595 HydrophobicContact CG-CG1 3.98Å; E541-N596 WeakPolarHBondContact CA-OD1 3.46Å; E541-Q608 PolarHBondContact OE1-NE2 3.42Å
542T95.8Very high93.8Very high81 Ų8149.1 Ų49.150%0.49726%0.258SS..  trans-112.8122.5174.1-54.10000108.9N530 V595 N596N530-T542 VanDerWaalsContact ND2-CG2 3.25Å; N530-T542 WeakPolarHBondContact ND2-CG2 3.41Å; T542-V595 WeakPolarHBondContact O-CA 3.31Å; T542-N596 PolarHBondContact N-OD1 2.99Å; T542-N596 PolarHBondContact O-N 3.24Å
543L97.2Very high93.9Very high0 Ų050.6 Ų50.60%027%0.265CS..EExtended strand (participates in β ladder)trans-95.2129178.4175.360.9000110.7N530 H533 I545 K594 V595 T612 V616N530-L543 PolarHBondContact ND2-O 3.2Å; H533-L543 HydrophobicContact CB-CB 3.85Å; H533-L543 HydrophobicContact CB-CD2 4.12Å; L543-I545 HydrophobicContact CG-CG1 4.42Å; L543-K594 CarbonylContact C-O 3.58Å; L543-K594 WeakPolarHBondContact CA-O 3.38Å; L543-V595 HydrophobicContact CD1-CG2 4.02Å; L543-T612 HydrophobicContact CD1-CG2 3.67Å; L543-T612 HydrophobicContact CD2-CG2 4.23Å; L543-V616 HydrophobicContact CD2-CG2 4.19Å
544A97.2Very high93.7Very high27 Ų2760.1 Ų60.122%0.22331%0.31CS..EExtended strand (participates in β ladder)trans-119.4145.3169.800000110.1E526 K594E526-A544 VanDerWaalsContact OE1-CA 3.23Å; E526-A544 WeakPolarHBondContact OE1-CA 3.35Å; E526-A544 WeakPolarHBondContact OE1-CB 3.49Å; A544-K594 HydrophobicContact CB-CB 4.36Å; A544-K594 PolarHBondContact N-O 3.3Å; A544-K594 PolarHBondContact O-N 3.02Å
545I97.4Very high93.7Very high4 Ų461.6 Ų61.62%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-126.4112.4-179.4-48.6-177.6000108.6V522 L525 E526 L543 L591 F593 V616V522-I545 HydrophobicContact CG1-CB 4.4Å; V522-I545 HydrophobicContact CG1-CG2 3.89Å; L525-I545 HydrophobicContact CD2-CD1 4.23Å; L525-I545 HydrophobicContact CG-CD1 4.03Å; E526-I545 HydrophobicContact CB-CB 4.09Å; E526-I545 HydrophobicContact CB-CG1 4.28Å; E526-I545 HydrophobicContact CG-CB 4.38Å; E526-I545 HydrophobicContact CG-CG1 4.45Å; E526-I545 PolarHBondContact OE1-N 3.42Å; E526-I545 VanDerWaalsContact OE1-N 3.1Å; L543-I545 HydrophobicContact CG-CG1 4.42Å; I545-L591 HydrophobicContact CG2-CD2 4.29Å; I545-F593 HydrophobicContact CD1-CD1 4.35Å; I545-F593 HydrophobicContact CD1-CE1 4.17Å; I545-F593 HydrophobicContact CG1-CD1 4.03Å; I545-F593 HydrophobicContact CG1-CE1 4.28Å; I545-F593 HydrophobicContact CG2-CD1 4.1Å; I545-F593 HydrophobicContact CG2-CE1 3.93Å; I545-V616 HydrophobicContact CD1-CG2 3.92Å
546E95.7Very high93.8Very high81 Ų8159 Ų5938%0.37931%0.31SS..EExtended strand (participates in β ladder)trans-103.1131.4-179.9-67.9175-170.800110.4D548 L591 I592 K594E546-D548 PolarHBondContact O-N 3.29Å; E546-L591 WeakPolarHBondContact O-CA 3.3Å; E546-I592 HydrophobicContact CB-CB 4.29Å; E546-I592 PolarHBondContact N-O 3.04Å; E546-I592 PolarHBondContact O-N 2.82Å; E546-K594 VanDerWaalsContact CD-CE 3.46Å; E546-K594 WeakPolarHBondContact OE1-CD 3.36Å; E546-K594 VanDerWaalsContact OE1-CE 3.27Å; E546-K594 WeakPolarHBondContact OE1-CE 3.15Å; E546-K594 IonicContact OE1-NZ 3.31Å; E546-K594 PolarHBondContact OE1-NZ 3.31Å; E546-K594 WeakPolarHBondContact OE2-CE 3.38Å; E546-K594 IonicContact OE2-NZ 2.73Å; E546-K594 PolarHBondContact OE2-NZ 3.11Å
547Y96.9Very high94.1Very high32 Ų3262.6 Ų62.613%0.12533%0.329CS..EExtended strand (participates in β ladder)trans-84.6107.9170.5-169.7-98.8000109.9I457 L515 R518 L519 V522 A549 D589 L591I457-Y547 HydrophobicContact CD1-CD2 4.5Å; I457-Y547 HydrophobicContact CD1-CE2 4.1Å; L515-Y547 HydrophobicContact CD2-CE1 4.13Å; R518-Y547 HydrophobicContact CB-CE2 3.89Å; R518-Y547 WeakPolarHBondContact CD-OH 3.3Å; R518-Y547 PolarHBondContact NH1-OH 3.41Å; R518-Y547 VanDerWaalsContact NH1-OH 3.15Å; L519-Y547 HydrophobicContact CD2-CD1 3.57Å; L519-Y547 HydrophobicContact CD2-CE1 4.33Å; L519-Y547 HydrophobicContact CD2-CG 4.09Å; L519-Y547 HydrophobicContact CG-CD1 4.34Å; V522-Y547 HydrophobicContact CG2-CD2 3.85Å; Y547-A549 HydrophobicContact CD1-CB 3.93Å; Y547-A549 HydrophobicContact CE1-CB 3.85Å; Y547-A549 PolarHBondContact O-N 2.91Å; Y547-D589 HydrophobicContact CE1-CB 4.04Å; Y547-D589 VanDerWaalsContact CE1-OD2 3.29Å; Y547-D589 WeakPolarHBondContact CE1-OD2 3.39Å; Y547-D589 HydrophobicContact CE2-CB 4.41Å; Y547-D589 VanDerWaalsContact CZ-OD2 3.3Å; Y547-D589 VanDerWaalsContact OH-CB 3.27Å; Y547-D589 WeakPolarHBondContact OH-CB 3.42Å; Y547-D589 PolarHBondContact OH-OD2 3.15Å; Y547-L591 HydrophobicContact CD2-CD2 3.72Å
548D96.2Very high94.4Very high86 Ų8664 Ų6446%0.4634%0.337SS..EExtended strand (participates in β ladder)trans-8685.3178.4-172.926.4000109.6E546 D589 D590 I592E546-D548 PolarHBondContact O-N 3.29Å; D548-D589 WeakPolarHBondContact O-CA 3.34Å; D548-D589 WeakPolarHBondContact O-CB 3.32Å; D548-D590 HydrophobicContact CB-CB 4.32Å; D548-D590 PolarHBondContact N-O 3.5Å; D548-D590 PolarHBondContact O-N 3.26Å; D548-I592 HydrophobicContact CB-CD1 3.84Å; D548-I592 HydrophobicContact CB-CG1 4.12Å
549A97.3Very high94.9Very high21 Ų2164.8 Ų64.817%0.17434%0.338CS..  trans-73.5137.6177.600000111Y547 L551 L553Y547-A549 HydrophobicContact CD1-CB 3.93Å; Y547-A549 HydrophobicContact CE1-CB 3.85Å; Y547-A549 PolarHBondContact O-N 2.91Å; A549-L551 WeakPolarHBondContact CB-O 3.47Å; A549-L551 PolarHBondContact O-N 3.32Å; A549-L551 VanDerWaalsContact O-N 3.08Å; A549-L553 HydrophobicContact CB-CD1 3.96Å; A549-L553 HydrophobicContact CB-CG 4.27Å
550S96.3Very high95.2Very high39 Ų3964.3 Ų64.327%0.27333%0.333SS..SBendtrans-65.9-7.4170.756.50000113.8L584 G585 D589S550-L584 WeakPolarHBondContact O-CD2 3.44Å; S550-G585 PolarHBondContact OG-N 2.97Å; S550-G585 PolarHBondContact OG-O 2.84Å; S550-D589 VanDerWaalsContact CB-OD1 3.25Å; S550-D589 WeakPolarHBondContact CB-OD1 3.49Å; S550-D589 PolarHBondContact N-OD1 3.4Å; S550-D589 PolarHBondContact OG-OD1 3.11Å
551L96.9Very high95.5Very high7 Ų756.6 Ų56.64%0.03730%0.3CS..SBendtrans-116.7146.6179.9-63.4166.7000109.7L515 A549 L553 F565 E568 L584L515-L551 HydrophobicContact CD1-CD1 3.67Å; A549-L551 WeakPolarHBondContact CB-O 3.47Å; A549-L551 PolarHBondContact O-N 3.32Å; A549-L551 VanDerWaalsContact O-N 3.08Å; L551-L553 VanDerWaalsContact C-N 3.29Å; L551-L553 HydrophobicContact CB-CD2 3.73Å; L551-L553 HydrophobicContact CB-CG 3.91Å; L551-L553 HydrophobicContact CD1-CD2 4.37Å; L551-L553 PolarHBondContact O-N 3.01Å; L551-F565 HydrophobicContact CD1-CB 3.81Å; L551-F565 HydrophobicContact CD1-CD1 3.94Å; L551-F565 HydrophobicContact CD1-CD2 3.51Å; L551-F565 HydrophobicContact CD1-CE1 4.38Å; L551-F565 HydrophobicContact CD1-CE2 4Å; L551-F565 HydrophobicContact CD1-CG 3.49Å; L551-F565 VanDerWaalsContact CD1-CG 3.49Å; L551-F565 HydrophobicContact CD1-CZ 4.43Å; L551-F565 HydrophobicContact CD2-CD2 3.85Å; L551-F565 HydrophobicContact CD2-CE2 4.44Å; L551-F565 HydrophobicContact CD2-CG 4.48Å; L551-F565 HydrophobicContact CG-CD2 4.28Å; L551-E568 HydrophobicContact CD2-CB 3.76Å; L551-E568 HydrophobicContact CD2-CG 4.1Å; L551-L584 HydrophobicContact CD2-CB 4.09Å; L551-L584 HydrophobicContact CD2-CD1 4.3Å
552P95.6Very high95.7Very high83 Ų8359 Ų5954%0.53931%0.307SS..  trans-76.579.7176.232.3-34.1000110.4V564 E568P552-V564 HydrophobicContact CG-CG1 3.95Å; P552-E568 HydrophobicContact CG-CG 4.39Å
553L94.2Very high95.8Very high38 Ų3862.8 Ų62.820%0.19931%0.314CS..  trans-91129.8-176.6-55.5-178000111.1L515 L519 A549 L551 I561 V564L515-L553 HydrophobicContact CB-CD1 4.41Å; L515-L553 HydrophobicContact CD1-CD1 4.25Å; L515-L553 HydrophobicContact CD2-CD1 4.21Å; L519-L553 HydrophobicContact CD1-CD1 3.98Å; A549-L553 HydrophobicContact CB-CD1 3.96Å; A549-L553 HydrophobicContact CB-CG 4.27Å; L551-L553 VanDerWaalsContact C-N 3.29Å; L551-L553 HydrophobicContact CB-CD2 3.73Å; L551-L553 HydrophobicContact CB-CG 3.91Å; L551-L553 HydrophobicContact CD1-CD2 4.37Å; L551-L553 PolarHBondContact O-N 3.01Å; L553-I561 HydrophobicContact CD2-CB 4.44Å; L553-I561 HydrophobicContact CD2-CG1 4.18Å; L553-I561 HydrophobicContact CD2-CG2 4.07Å; L553-V564 HydrophobicContact CD2-CB 4.47Å; L553-V564 HydrophobicContact CD2-CG1 4.23Å
554E89.6Confident95.8Very high199 Ų19964.5 Ų64.593%0.9332%0.324SS*.  trans-110.7-6.7176.9-62.7-179.1172.900112.8
555S90.6Very high95.9Very high33 Ų3363.2 Ų63.223%0.23131%0.314CS..  trans-152.8158.5-175.972.20000112.4D557 K560 I561S555-D557 VanDerWaalsContact C-N 3.32Å; S555-K560 WeakPolarHBondContact OG-CB 3.49Å; S555-K560 WeakPolarHBondContact OG-CD 3.03Å; S555-I561 WeakPolarHBondContact O-CD1 3.47Å; S555-I561 WeakPolarHBondContact O-CG1 3.28Å
556E92.1Very high95.9Very high47 Ų4765.4 Ų65.422%0.2233%0.325CS..  trans-88.1-0.1172.2-65.2168.6-161.400113.5A516 L519 R520 K523 V558A516-E556 WeakPolarHBondContact CB-O 3.44Å; L519-E556 HydrophobicContact CB-CG 3.71Å; L519-E556 HydrophobicContact CD1-CG 4.12Å; R520-E556 HydrophobicContact CG-CG 4.46Å; R520-E556 WeakPolarHBondContact CG-OE2 3.33Å; K523-E556 WeakPolarHBondContact CD-OE1 3.24Å; K523-E556 WeakPolarHBondContact CE-OE1 3.36Å; K523-E556 IonicContact NZ-OE1 2.69Å; K523-E556 PolarHBondContact NZ-OE1 2.83Å; E556-V558 PolarHBondContact O-N 2.98Å
557D95.8Very high95.9Very high83 Ų8364.2 Ų64.244%0.44432%0.322SS..  trans-66.9123.5177.8-178.2-78.4000110.2S555 E559 K560 I561S555-D557 VanDerWaalsContact C-N 3.32Å; D557-E559 VanDerWaalsContact C-N 3.32Å; D557-E559 PolarHBondContact O-N 3.12Å; D557-E559 PolarHBondContact OD1-N 2.89Å; D557-K560 HydrophobicContact CB-CB 4.17Å; D557-K560 HydrophobicContact CB-CD 4.09Å; D557-K560 HydrophobicContact CB-CG 4.14Å; D557-K560 PolarHBondContact O-N 3.25Å; D557-K560 PolarHBondContact OD1-N 3.32Å; D557-I561 VanDerWaalsContact O-CG1 3.31Å; D557-I561 WeakPolarHBondContact O-CG1 3.45Å; D557-I561 PolarHBondContact O-N 3.35Å
558V96.1Very high96Very high45 Ų4564.6 Ų64.627%0.27332%0.324SS..Hα-helixtrans-61.4-40.4-172.41770000111.4K513 A516 E556 I561 R562K513-V558 HydrophobicContact CG-CG1 4.03Å; A516-V558 HydrophobicContact CB-CG2 3.79Å; E556-V558 PolarHBondContact O-N 2.98Å; V558-I561 PolarHBondContact O-N 3.08Å; V558-R562 WeakPolarHBondContact O-CB 3.28Å; V558-R562 PolarHBondContact O-N 3.4Å
559E96.4Very high96Very high117 Ų11760.6 Ų60.655%0.54730%0.303SS..Hα-helixtrans-71.7-36.9-178.2-70.5-55.3127.400111.9D557 R562 Y563D557-E559 VanDerWaalsContact C-N 3.32Å; D557-E559 PolarHBondContact O-N 3.12Å; D557-E559 PolarHBondContact OD1-N 2.89Å; E559-R562 WeakPolarHBondContact O-CB 3.46Å; E559-R562 PolarHBondContact O-N 2.95Å; E559-R562 IonicContact OE2-NH1 2.76Å; E559-Y563 PolarHBondContact O-N 2.77Å
560K96.8Very high95.9Very high130 Ų13063.5 Ų63.557%0.56531%0.313SS*.Hα-helixtrans-65.1-45.5173-69-176.2-178.2178.40111.8S555 D557 R562 Y563 V564S555-K560 WeakPolarHBondContact OG-CB 3.49Å; S555-K560 WeakPolarHBondContact OG-CD 3.03Å; D557-K560 HydrophobicContact CB-CB 4.17Å; D557-K560 HydrophobicContact CB-CD 4.09Å; D557-K560 HydrophobicContact CB-CG 4.14Å; D557-K560 PolarHBondContact O-N 3.25Å; D557-K560 PolarHBondContact OD1-N 3.32Å; K560-R562 VanDerWaalsContact C-N 3.28Å; K560-R562 PolarHBondContact O-N 2.8Å; K560-Y563 PolarHBondContact O-N 2.82Å; K560-V564 WeakPolarHBondContact O-CG2 3.27Å; K560-V564 PolarHBondContact O-N 2.99Å
561I98Very high95.9Very high1 Ų168.8 Ų68.81%0.00533%0.331CS..Hα-helixtrans-58.3-45.9175-67166.9000109.6L515 A516 L519 L553 S555 D557 V558 Y563 V564 F565L515-I561 HydrophobicContact CB-CD1 4.42Å; L515-I561 HydrophobicContact CB-CG2 4.1Å; L515-I561 HydrophobicContact CD1-CG2 3.74Å; A516-I561 HydrophobicContact CB-CD1 3.89Å; L519-I561 HydrophobicContact CD1-CD1 4.2Å; L553-I561 HydrophobicContact CD2-CB 4.44Å; L553-I561 HydrophobicContact CD2-CG1 4.18Å; L553-I561 HydrophobicContact CD2-CG2 4.07Å; S555-I561 WeakPolarHBondContact O-CD1 3.47Å; S555-I561 WeakPolarHBondContact O-CG1 3.28Å; D557-I561 VanDerWaalsContact O-CG1 3.31Å; D557-I561 WeakPolarHBondContact O-CG1 3.45Å; D557-I561 PolarHBondContact O-N 3.35Å; V558-I561 PolarHBondContact O-N 3.08Å; I561-Y563 VanDerWaalsContact C-N 3.35Å; I561-Y563 PolarHBondContact O-N 2.65Å; I561-V564 PolarHBondContact O-N 3.14Å; I561-F565 VanDerWaalsContact O-CB 3.24Å; I561-F565 WeakPolarHBondContact O-CB 3.07Å; I561-F565 PolarHBondContact O-N 2.84Å
562R97.9Very high95.9Very high84 Ų8470 Ų7032%0.31734%0.338SS..Hα-helixtrans-56.8-46.4179-167.9-175.2169.8-109.4-7112.3V508 D509 S512 V558 E559 K560 F565 L566V508-R562 HydrophobicContact CG1-CB 4.32Å; V508-R562 HydrophobicContact CG1-CG 3.54Å; V508-R562 WeakPolarHBondContact CG1-O 3.3Å; D509-R562 IonicContact OD1-CZ 3.76Å; D509-R562 IonicContact OD1-NE 3.05Å; D509-R562 PolarHBondContact OD1-NE 3.43Å; D509-R562 IonicContact OD1-NH2 3.46Å; D509-R562 PolarHBondContact OD1-NH2 3.32Å; S512-R562 WeakPolarHBondContact OG-CA 3.33Å; S512-R562 PolarHBondContact OG-N 3.21Å; V558-R562 WeakPolarHBondContact O-CB 3.28Å; V558-R562 PolarHBondContact O-N 3.4Å; E559-R562 WeakPolarHBondContact O-CB 3.46Å; E559-R562 PolarHBondContact O-N 2.95Å; E559-R562 IonicContact OE2-NH1 2.76Å; K560-R562 VanDerWaalsContact C-N 3.28Å; K560-R562 PolarHBondContact O-N 2.8Å; R562-F565 PolarHBondContact O-N 3.25Å; R562-L566 WeakPolarHBondContact O-CB 3.39Å; R562-L566 PolarHBondContact O-N 3.31Å
563Y97.2Very high95.9Very high162 Ų16267.5 Ų67.564%0.63532%0.317SS*.Hα-helixtrans-60.7-49.8176.1178.1-100.3000112.3E559 K560 I561 F565 N567E559-Y563 PolarHBondContact O-N 2.77Å; K560-Y563 PolarHBondContact O-N 2.82Å; I561-Y563 VanDerWaalsContact C-N 3.35Å; I561-Y563 PolarHBondContact O-N 2.65Å; Y563-F565 PolarHBondContact O-N 2.98Å; Y563-N567 WeakPolarHBondContact CD1-ND2 3.42Å; Y563-N567 WeakPolarHBondContact CE1-ND2 3.13Å; Y563-N567 WeakPolarHBondContact CE2-ND2 3.45Å; Y563-N567 WeakPolarHBondContact O-CB 3.4Å; Y563-N567 VanDerWaalsContact O-CG 3.26Å; Y563-N567 PolarHBondContact O-N 3.05Å; Y563-N567 VanDerWaalsContact O-N 3.14Å; Y563-N567 PolarHBondContact O-ND2 3.25Å
564V97.8Very high95.9Very high36 Ų3674.5 Ų74.522%0.21835%0.346CS..Hα-helixtrans-61.4-45.8178.6173.20000110.9P552 L553 K560 I561 N567 E568P552-V564 HydrophobicContact CG-CG1 3.95Å; L553-V564 HydrophobicContact CD2-CB 4.47Å; L553-V564 HydrophobicContact CD2-CG1 4.23Å; K560-V564 WeakPolarHBondContact O-CG2 3.27Å; K560-V564 PolarHBondContact O-N 2.99Å; I561-V564 PolarHBondContact O-N 3.14Å; V564-N567 PolarHBondContact O-N 3.5Å; V564-E568 HydrophobicContact CG1-CG 4.32Å; V564-E568 WeakPolarHBondContact O-CG 3.49Å; V564-E568 PolarHBondContact O-N 2.97Å
565F98.2Very high96.2Very high0 Ų072.1 Ų72.10%033%0.329CS..Hα-helixtrans-62.7-47.6-177-164.5176.6000111.7Y475 V508 L515 L551 I561 R562 Y563 N567 E568 L569 L584 G585Y475-F565 HydrophobicContact CE2-CE1 4.49Å; Y475-F565 HydrophobicContact CE2-CZ 4.46Å; V508-F565 HydrophobicContact CB-CD1 4.4Å; V508-F565 HydrophobicContact CG1-CB 4.18Å; V508-F565 HydrophobicContact CG1-CD1 4.37Å; V508-F565 HydrophobicContact CG1-CG 4.42Å; V508-F565 HydrophobicContact CG2-CB 4.32Å; V508-F565 HydrophobicContact CG2-CD1 4.13Å; V508-F565 HydrophobicContact CG2-CD2 4.2Å; V508-F565 HydrophobicContact CG2-CG 3.93Å; L515-F565 HydrophobicContact CD1-CD1 4.16Å; L515-F565 HydrophobicContact CD1-CE1 4.28Å; L551-F565 HydrophobicContact CD1-CB 3.81Å; L551-F565 HydrophobicContact CD1-CD1 3.94Å; L551-F565 HydrophobicContact CD1-CD2 3.51Å; L551-F565 HydrophobicContact CD1-CE1 4.38Å; L551-F565 HydrophobicContact CD1-CE2 4Å; L551-F565 HydrophobicContact CD1-CG 3.49Å; L551-F565 VanDerWaalsContact CD1-CG 3.49Å; L551-F565 HydrophobicContact CD1-CZ 4.43Å; L551-F565 HydrophobicContact CD2-CD2 3.85Å; L551-F565 HydrophobicContact CD2-CE2 4.44Å; L551-F565 HydrophobicContact CD2-CG 4.48Å; L551-F565 HydrophobicContact CG-CD2 4.28Å; I561-F565 VanDerWaalsContact O-CB 3.24Å; I561-F565 WeakPolarHBondContact O-CB 3.07Å; I561-F565 PolarHBondContact O-N 2.84Å; R562-F565 PolarHBondContact O-N 3.25Å; Y563-F565 PolarHBondContact O-N 2.98Å; F565-N567 VanDerWaalsContact C-N 3.34Å; F565-N567 PolarHBondContact O-N 3.11Å; F565-E568 PolarHBondContact O-N 2.72Å; F565-L569 HydrophobicContact CD2-CD1 3.79Å; F565-L569 HydrophobicContact CD2-CG 3.89Å; F565-L569 HydrophobicContact CE2-CD1 3.59Å; F565-L569 HydrophobicContact CE2-CD2 4.2Å; F565-L569 HydrophobicContact CE2-CG 3.83Å; F565-L569 HydrophobicContact CZ-CD1 4.38Å; F565-L569 WeakPolarHBondContact O-CG 3.29Å; F565-L569 PolarHBondContact O-N 3.22Å; F565-L584 HydrophobicContact CE2-CB 4.31Å; F565-G585 VanDerWaalsContact CZ-CA 3.44Å
566L97.4Very high96.5Very high49 Ų4970.6 Ų70.626%0.25732%0.318SS..Hα-helixtrans-59.8-45.7177.1-173.760.5000111.5T504 V508 R562 E568 L569 Q570T504-L566 HydrophobicContact CG2-CD1 3.95Å; V508-L566 HydrophobicContact CG1-CB 4.27Å; V508-L566 HydrophobicContact CG2-CB 4.43Å; V508-L566 HydrophobicContact CG2-CD1 4.37Å; R562-L566 WeakPolarHBondContact O-CB 3.39Å; R562-L566 PolarHBondContact O-N 3.31Å; L566-E568 PolarHBondContact O-N 2.78Å; L566-L569 PolarHBondContact O-N 2.76Å; L566-Q570 WeakPolarHBondContact O-CG 3.4Å; L566-Q570 PolarHBondContact O-N 3.32Å
567N97.2Very high96.7Very high57 Ų5769.9 Ų69.931%0.30532%0.315SS..Hα-helixtrans-62.7-43.8-179.9-74.1-31.2000112.6Y563 V564 F565 Q570 K571Y563-N567 WeakPolarHBondContact CD1-ND2 3.42Å; Y563-N567 WeakPolarHBondContact CE1-ND2 3.13Å; Y563-N567 WeakPolarHBondContact CE2-ND2 3.45Å; Y563-N567 WeakPolarHBondContact O-CB 3.4Å; Y563-N567 VanDerWaalsContact O-CG 3.26Å; Y563-N567 PolarHBondContact O-N 3.05Å; Y563-N567 VanDerWaalsContact O-N 3.14Å; Y563-N567 PolarHBondContact O-ND2 3.25Å; V564-N567 PolarHBondContact O-N 3.5Å; F565-N567 VanDerWaalsContact C-N 3.34Å; F565-N567 PolarHBondContact O-N 3.11Å; N567-Q570 PolarHBondContact O-N 2.85Å; N567-K571 WeakPolarHBondContact O-CG 3.39Å; N567-K571 PolarHBondContact O-N 2.83Å
568E97.9Very high96.7Very high40 Ų4073 Ų7319%0.18733%0.325CS..Hα-helixtrans-68.1-36.5179.6-72-54.9130.800112.7L551 P552 V564 F565 L566 K571 N572 L584L551-E568 HydrophobicContact CD2-CB 3.76Å; L551-E568 HydrophobicContact CD2-CG 4.1Å; P552-E568 HydrophobicContact CG-CG 4.39Å; V564-E568 HydrophobicContact CG1-CG 4.32Å; V564-E568 WeakPolarHBondContact O-CG 3.49Å; V564-E568 PolarHBondContact O-N 2.97Å; F565-E568 PolarHBondContact O-N 2.72Å; L566-E568 PolarHBondContact O-N 2.78Å; E568-K571 PolarHBondContact O-N 2.74Å; E568-K571 IonicContact OE1-NZ 2.59Å; E568-K571 PolarHBondContact OE1-NZ 2.9Å; E568-N572 PolarHBondContact O-N 3.17Å; E568-N572 VanDerWaalsContact O-N 3.1Å; E568-N572 PolarHBondContact O-ND2 3.03Å; E568-L584 HydrophobicContact CB-CD1 3.72Å
569L97.3Very high96.7Very high2 Ų277 Ų771%0.0134%0.339CS..Hα-helixtrans-64.1-41.9172.1-74.5176.9000111.7T504 L507 V508 F565 L566 K571 N572 R573 T582 L584T504-L569 HydrophobicContact CG2-CB 4.3Å; T504-L569 HydrophobicContact CG2-CD1 3.85Å; L507-L569 HydrophobicContact CD2-CD1 4.23Å; V508-L569 HydrophobicContact CG2-CD1 3.61Å; F565-L569 HydrophobicContact CD2-CD1 3.79Å; F565-L569 HydrophobicContact CD2-CG 3.89Å; F565-L569 HydrophobicContact CE2-CD1 3.59Å; F565-L569 HydrophobicContact CE2-CD2 4.2Å; F565-L569 HydrophobicContact CE2-CG 3.83Å; F565-L569 HydrophobicContact CZ-CD1 4.38Å; F565-L569 WeakPolarHBondContact O-CG 3.29Å; F565-L569 PolarHBondContact O-N 3.22Å; L566-L569 PolarHBondContact O-N 2.76Å; L569-K571 PolarHBondContact O-N 3.17Å; L569-N572 CarbonylContact O-C 3.6Å; L569-N572 PolarHBondContact O-N 2.94Å; L569-R573 PolarHBondContact O-N 3.44Å; L569-T582 HydrophobicContact CD2-CG2 4.18Å; L569-L584 HydrophobicContact CD2-CB 3.96Å; L569-L584 HydrophobicContact CD2-CD1 4.26Å
570Q95.5Very high96.7Very high81 Ų8172 Ų7238%0.37932%0.32SS..Hα-helixtrans-63.9-40.7177.1-69.9-62.4-13.600112.1L566 N567 N572 R573L566-Q570 WeakPolarHBondContact O-CG 3.4Å; L566-Q570 PolarHBondContact O-N 3.32Å; N567-Q570 PolarHBondContact O-N 2.85Å; Q570-N572 VanDerWaalsContact C-N 3.29Å; Q570-N572 PolarHBondContact O-N 2.96Å; Q570-R573 VanDerWaalsContact O-CB 3.29Å; Q570-R573 WeakPolarHBondContact O-CB 3.34Å; Q570-R573 PolarHBondContact O-N 3.04Å
571K96.3Very high96.7Very high150 Ų15068.4 Ų68.465%0.65231%0.306SS*.Hα-helixtrans-60.4-37.5173.6-70173.1-170.6171.30112.4N567 E568 L569N567-K571 WeakPolarHBondContact O-CG 3.39Å; N567-K571 PolarHBondContact O-N 2.83Å; E568-K571 PolarHBondContact O-N 2.74Å; E568-K571 IonicContact OE1-NZ 2.59Å; E568-K571 PolarHBondContact OE1-NZ 2.9Å; L569-K571 PolarHBondContact O-N 3.17Å
572N95.8Very high96.7Very high34 Ų3468.3 Ų68.318%0.18231%0.306CS..Hα-helixtrans-90.3-2.9-177.8-76.1-85.9000114.2E568 L569 Q570 K574 R575 E576 L584E568-N572 PolarHBondContact O-N 3.17Å; E568-N572 VanDerWaalsContact O-N 3.1Å; E568-N572 PolarHBondContact O-ND2 3.03Å; L569-N572 CarbonylContact O-C 3.6Å; L569-N572 PolarHBondContact O-N 2.94Å; Q570-N572 VanDerWaalsContact C-N 3.29Å; Q570-N572 PolarHBondContact O-N 2.96Å; N572-K574 PolarHBondContact O-N 3.21Å; N572-R575 WeakPolarHBondContact O-CA 3.05Å; N572-R575 WeakPolarHBondContact O-CB 3.49Å; N572-R575 PolarHBondContact O-N 2.99Å; N572-E576 HydrophobicContact CB-CG 4.43Å; N572-E576 PolarHBondContact O-N 3.09Å; N572-L584 HydrophobicContact CB-CD1 4.33Å
573R95.1Very high96.6Very high29 Ų2966.9 Ų66.911%0.10930%0.302CS..Hα-helixtrans-47.2-53.1-173-173.2-170.5-170.392-0.6114E497 D501 L569 Q570 R575 E576 I577E497-R573 PolarHBondContact O-NH2 2.79Å; E497-R573 IonicContact OE2-CZ 3.27Å; E497-R573 VanDerWaalsContact OE2-CZ 3.25Å; E497-R573 IonicContact OE2-NE 2.64Å; E497-R573 PolarHBondContact OE2-NE 3.5Å; E497-R573 IonicContact OE2-NH2 3.53Å; E497-R573 PolarHBondContact OE2-NH2 3.11Å; D501-R573 IonicContact OD1-CZ 3.61Å; D501-R573 VanDerWaalsContact OD1-CZ 3.27Å; D501-R573 IonicContact OD1-NH1 3.25Å; D501-R573 PolarHBondContact OD1-NH1 2.8Å; D501-R573 IonicContact OD1-NH2 2.93Å; D501-R573 PolarHBondContact OD1-NH2 2.82Å; D501-R573 IonicContact OD2-NH2 2.76Å; L569-R573 PolarHBondContact O-N 3.44Å; Q570-R573 VanDerWaalsContact O-CB 3.29Å; Q570-R573 WeakPolarHBondContact O-CB 3.34Å; Q570-R573 PolarHBondContact O-N 3.04Å; R573-R575 VanDerWaalsContact C-N 3.27Å; R573-R575 PolarHBondContact O-N 2.98Å; R573-E576 PolarHBondContact O-N 2.8Å; R573-I577 HydrophobicContact CG-CD1 4Å; R573-I577 WeakPolarHBondContact O-CG1 3.49Å; R573-I577 PolarHBondContact O-N 3.32Å
574K94.9Very high96.6Very high186 Ų18660.2 Ų60.281%0.80928%0.277SS*.Hα-helixtrans-58.9-39.3-179.4-68.9-176.8179.3178.10112.2N572 F578N572-K574 PolarHBondContact O-N 3.21Å; K574-F578 WeakPolarHBondContact O-CB 3.32Å; K574-F578 PolarHBondContact O-N 2.76Å
575R96.6Very high96.6Very high149 Ų14958.5 Ų58.556%0.56227%0.267SS*.Hα-helixtrans-70.2-40.8178.9-176.8-177175.3-173.80.7111.2N572 R573 F578 K579 F583N572-R575 WeakPolarHBondContact O-CA 3.05Å; N572-R575 WeakPolarHBondContact O-CB 3.49Å; N572-R575 PolarHBondContact O-N 2.99Å; R573-R575 VanDerWaalsContact C-N 3.27Å; R573-R575 PolarHBondContact O-N 2.98Å; R575-F578 PolarHBondContact O-N 2.91Å; R575-K579 WeakPolarHBondContact O-CB 3.39Å; R575-K579 WeakPolarHBondContact O-CG 3.39Å; R575-K579 PolarHBondContact O-N 2.82Å; R575-F583 HydrophobicContact CG-CE2 4.17Å
576E96.9Very high96.6Very high0 Ų058.5 Ų58.50%027%0.267CS..Hα-helixtrans-65.9-42.5176.7-68.7-165.1143.400112.2R482 L486 N572 R573 K579 G580 N581 T582 F583R482-E576 IonicContact CZ-OE2 2.73Å; R482-E576 IonicContact NH1-OE1 3.32Å; R482-E576 IonicContact NH1-OE2 3.51Å; R482-E576 PolarHBondContact NH1-OE2 3.2Å; R482-E576 IonicContact NH2-OE2 2.97Å; R482-E576 PolarHBondContact NH2-OE2 2.77Å; L486-E576 HydrophobicContact CD1-CB 4.04Å; L486-E576 HydrophobicContact CD2-CB 4.24Å; N572-E576 HydrophobicContact CB-CG 4.43Å; N572-E576 PolarHBondContact O-N 3.09Å; R573-E576 PolarHBondContact O-N 2.8Å; E576-K579 PolarHBondContact O-N 3.2Å; E576-G580 WeakPolarHBondContact O-CA 3.5Å; E576-G580 PolarHBondContact O-N 2.97Å; E576-N581 WeakPolarHBondContact CB-O 3.43Å; E576-N581 WeakPolarHBondContact CG-O 3.2Å; E576-N581 PolarHBondContact O-N 3.1Å; E576-T582 VanDerWaalsContact OE1-CA 3.23Å; E576-T582 WeakPolarHBondContact OE1-CA 3.45Å; E576-T582 WeakPolarHBondContact OE1-CG2 3.47Å; E576-F583 HydrophobicContact CG-CD2 3.73Å; E576-F583 HydrophobicContact CG-CE2 4.24Å; E576-F583 PolarHBondContact OE1-N 2.8Å
577I95.7Very high96.6Very high33 Ų3358.1 Ų58.117%0.16926%0.264CS..Hα-helixtrans-61-48.4173.5-68170.6000110.2L486 L489 S490 L500 R573 K579 G580L486-I577 HydrophobicContact CD2-CG1 3.84Å; L489-I577 HydrophobicContact CB-CG2 4.03Å; L489-I577 HydrophobicContact CD1-CD1 4.5Å; L489-I577 HydrophobicContact CD1-CG1 4.26Å; S490-I577 WeakPolarHBondContact CB-O 3.49Å; L500-I577 HydrophobicContact CD2-CD1 4.11Å; L500-I577 HydrophobicContact CD2-CG1 4.08Å; R573-I577 HydrophobicContact CG-CD1 4Å; R573-I577 WeakPolarHBondContact O-CG1 3.49Å; R573-I577 PolarHBondContact O-N 3.32Å; I577-K579 VanDerWaalsContact C-N 3.29Å; I577-K579 PolarHBondContact O-N 2.9Å; I577-G580 PolarHBondContact O-N 3.4Å
578F95.4Very high96.6Very high147 Ų14760.3 Ų60.365%0.64527%0.268SS*.Hα-helixtrans-62.6-34-179.5177.3-106.6000113.5S490 K574 R575S490-F578 PolarHBondContact OG-O 2.9Å; K574-F578 WeakPolarHBondContact O-CB 3.32Å; K574-F578 PolarHBondContact O-N 2.76Å; R575-F578 PolarHBondContact O-N 2.91Å
579K96.5Very high96.6Very high129 Ų12958.5 Ų58.556%0.56126%0.259SS*.Hα-helixtrans-93.7-10.8-179.2-67.8-66.9-172.4179.90114R575 E576 I577 N581 F583R575-K579 WeakPolarHBondContact O-CB 3.39Å; R575-K579 WeakPolarHBondContact O-CG 3.39Å; R575-K579 PolarHBondContact O-N 2.82Å; E576-K579 PolarHBondContact O-N 3.2Å; I577-K579 VanDerWaalsContact C-N 3.29Å; I577-K579 PolarHBondContact O-N 2.9Å; K579-N581 VanDerWaalsContact C-N 3.32Å; K579-N581 PolarHBondContact O-N 2.81Å; K579-F583 HydrophobicContact CB-CE2 3.78Å; K579-F583 HydrophobicContact CB-CZ 3.45Å; K579-F583 VanDerWaalsContact CB-CZ 3.45Å; K579-F583 HydrophobicContact CG-CE2 3.99Å; K579-F583 HydrophobicContact CG-CZ 3.73Å
580G96.2Very high96.6Very high14 Ų1459.4 Ų59.414%0.14426%0.264CS..THydrogen-bonded Turntrans6628.2-178.700000114.4E576 I577E576-G580 WeakPolarHBondContact O-CA 3.5Å; E576-G580 PolarHBondContact O-N 2.97Å; I577-G580 PolarHBondContact O-N 3.4Å
581N97.1Very high96.6Very high53 Ų5355.6 Ų55.628%0.28325%0.247SC..SBendtrans-154.4152.2-176.3-1613.7000112.6N483 L486 E576 K579 F583 R588N483-N581 VanDerWaalsContact CG-OD1 3.22Å; N483-N581 PolarHBondContact ND2-OD1 3.2Å; N483-N581 VanDerWaalsContact ND2-OD1 3.09Å; N483-N581 PolarHBondContact OD1-OD1 2.74Å; L486-N581 VanDerWaalsContact CD1-C 3.47Å; E576-N581 WeakPolarHBondContact CB-O 3.43Å; E576-N581 WeakPolarHBondContact CG-O 3.2Å; E576-N581 PolarHBondContact O-N 3.1Å; K579-N581 VanDerWaalsContact C-N 3.32Å; K579-N581 PolarHBondContact O-N 2.81Å; N581-F583 HydrophobicContact CB-CZ 4.49Å; N581-R588 PolarHBondContact ND2-NH2 3.18Å; N581-R588 VanDerWaalsContact ND2-NH2 3.11Å
582T97.7Very high96.6Very high0 Ų050.1 Ų50.10%022%0.224CC..  trans-83134.6173.8-48.60000110.6L479 R482 N483 L507 L569 E576 H587 R588L479-T582 HydrophobicContact CD1-CG2 3.98Å; R482-T582 PolarHBondContact NH1-OG1 3.04Å; N483-T582 VanDerWaalsContact OD1-CB 3.3Å; N483-T582 WeakPolarHBondContact OD1-CB 3.33Å; N483-T582 PolarHBondContact OD1-N 2.8Å; N483-T582 PolarHBondContact OD1-OG1 2.84Å; L507-T582 HydrophobicContact CD2-CG2 4.18Å; L569-T582 HydrophobicContact CD2-CG2 4.18Å; E576-T582 VanDerWaalsContact OE1-CA 3.23Å; E576-T582 WeakPolarHBondContact OE1-CA 3.45Å; E576-T582 WeakPolarHBondContact OE1-CG2 3.47Å; T582-H587 PolarHBondContact O-NE2 3.44Å; T582-R588 PolarHBondContact O-NE 2.97Å; T582-R588 PolarHBondContact O-NH2 2.71Å
583F95.9Very high96.7Very high54 Ų5448.7 Ų48.724%0.23722%0.216CC..  trans-112.2-9.7-176.8-62.9-60.2000114.9R575 E576 K579 N581 R588R575-F583 HydrophobicContact CG-CE2 4.17Å; E576-F583 HydrophobicContact CG-CD2 3.73Å; E576-F583 HydrophobicContact CG-CE2 4.24Å; E576-F583 PolarHBondContact OE1-N 2.8Å; K579-F583 HydrophobicContact CB-CE2 3.78Å; K579-F583 HydrophobicContact CB-CZ 3.45Å; K579-F583 VanDerWaalsContact CB-CZ 3.45Å; K579-F583 HydrophobicContact CG-CE2 3.99Å; K579-F583 HydrophobicContact CG-CZ 3.73Å; N581-F583 HydrophobicContact CB-CZ 4.49Å; F583-R588 WeakPolarHBondContact O-CG 3.49Å
584L97.7Very high96.8Very high21 Ų2149.8 Ų49.811%0.1122%0.222CC..SBendtrans-125146.5-173.9-57.4174.2000111.4S550 L551 F565 E568 L569 N572 H587S550-L584 WeakPolarHBondContact O-CD2 3.44Å; L551-L584 HydrophobicContact CD2-CB 4.09Å; L551-L584 HydrophobicContact CD2-CD1 4.3Å; F565-L584 HydrophobicContact CE2-CB 4.31Å; E568-L584 HydrophobicContact CB-CD1 3.72Å; L569-L584 HydrophobicContact CD2-CB 3.96Å; L569-L584 HydrophobicContact CD2-CD1 4.26Å; N572-L584 HydrophobicContact CB-CD1 4.33Å; L584-H587 PolarHBondContact O-CE1 3.46Å; L584-H587 VanDerWaalsContact O-CE1 3.24Å
585G97.4Very high96.8Very high0 Ų041.2 Ų41.20%019%0.185CC..SBendtrans115177.8177.300000114S550 F565 H587 R588S550-G585 PolarHBondContact OG-N 2.97Å; S550-G585 PolarHBondContact OG-O 2.84Å; F565-G585 VanDerWaalsContact CZ-CA 3.44Å; G585-H587 PolarHBondContact O-N 3.5Å; G585-R588 PolarHBondContact O-N 3.18Å
586P97.6Very high96.7Very high0 Ų037.9 Ų37.90%018%0.178CC..THydrogen-bonded Turntrans-58.4-20.5-16717-30.6000115.8R454 Y475 V514 L515 R518 R588 D589R454-P586 VanDerWaalsContact CD-O 3.3Å; R454-P586 WeakPolarHBondContact CD-O 3.4Å; Y475-P586 HydrophobicContact CD1-CG 4.27Å; Y475-P586 HydrophobicContact CD2-CG 4.49Å; Y475-P586 HydrophobicContact CE1-CG 3.73Å; Y475-P586 HydrophobicContact CE2-CG 3.96Å; Y475-P586 VanDerWaalsContact OH-CD 3.28Å; Y475-P586 WeakPolarHBondContact OH-CD 3.4Å; V514-P586 HydrophobicContact CB-CG 4.21Å; V514-P586 HydrophobicContact CG1-CB 3.76Å; V514-P586 HydrophobicContact CG1-CG 3.82Å; L515-P586 HydrophobicContact CD2-CB 4.02Å; L515-P586 HydrophobicContact CD2-CG 4.42Å; L515-P586 HydrophobicContact CG-CB 4.25Å; L515-P586 HydrophobicContact CG-CG 4.16Å; R518-P586 PolarHBondContact NH1-O 2.59Å; P586-R588 PolarHBondContact O-N 3.07Å; P586-D589 WeakPolarHBondContact CA-OD2 3.21Å
587H97.6Very high96.5Very high42 Ų4246.5 Ų46.519%0.19422%0.218CC..THydrogen-bonded Turntrans-70.8-9173.768.9-73.3000114.4R454 Y475 L479 T582 L584 G585R454-H587 PolarHBondContact NE-O 3.15Å; Y475-H587 HydrophobicContact CE1-CB 4.24Å; Y475-H587 AromaticContact CZ-ND1 3.8Å; Y475-H587 PolarHBondContact OH-ND1 2.69Å; L479-H587 HydrophobicContact CD2-CB 3.81Å; L479-H587 VanDerWaalsContact CD2-CG 3.46Å; T582-H587 PolarHBondContact O-NE2 3.44Å; L584-H587 PolarHBondContact O-CE1 3.46Å; L584-H587 VanDerWaalsContact O-CE1 3.24Å; G585-H587 PolarHBondContact O-N 3.5Å
588R97.2Very high96.4Very high102 Ų10251 Ų5139%0.38524%0.239SC..THydrogen-bonded Turntrans-113.9-16.4-178.3-61.7-63.3-170.9160.34.4114.3N581 T582 F583 G585 P586N581-R588 PolarHBondContact ND2-NH2 3.18Å; N581-R588 VanDerWaalsContact ND2-NH2 3.11Å; T582-R588 PolarHBondContact O-NE 2.97Å; T582-R588 PolarHBondContact O-NH2 2.71Å; F583-R588 WeakPolarHBondContact O-CG 3.49Å; G585-R588 PolarHBondContact O-N 3.18Å; P586-R588 PolarHBondContact O-N 3.07Å
589D97.5Very high96.4Very high2 Ų245.7 Ų45.71%0.01122%0.217CC..  trans-67.4166-178-58.8-2.5000112.8R454 L515 Y547 D548 S550 P586R454-D589 VanDerWaalsContact CD-O 3.24Å; R454-D589 WeakPolarHBondContact CD-O 3.31Å; R454-D589 WeakPolarHBondContact CG-O 3.11Å; R454-D589 PolarHBondContact NH1-O 3.26Å; L515-D589 WeakPolarHBondContact CD2-OD2 3.47Å; Y547-D589 HydrophobicContact CE1-CB 4.04Å; Y547-D589 VanDerWaalsContact CE1-OD2 3.29Å; Y547-D589 WeakPolarHBondContact CE1-OD2 3.39Å; Y547-D589 HydrophobicContact CE2-CB 4.41Å; Y547-D589 VanDerWaalsContact CZ-OD2 3.3Å; Y547-D589 VanDerWaalsContact OH-CB 3.27Å; Y547-D589 WeakPolarHBondContact OH-CB 3.42Å; Y547-D589 PolarHBondContact OH-OD2 3.15Å; D548-D589 WeakPolarHBondContact O-CA 3.34Å; D548-D589 WeakPolarHBondContact O-CB 3.32Å; S550-D589 VanDerWaalsContact CB-OD1 3.25Å; S550-D589 WeakPolarHBondContact CB-OD1 3.49Å; S550-D589 PolarHBondContact N-OD1 3.4Å; S550-D589 PolarHBondContact OG-OD1 3.11Å; P586-D589 WeakPolarHBondContact CA-OD2 3.21Å
590D97.2Very high96.3Very high22 Ų2239.7 Ų39.712%0.11819%0.191CC..EExtended strand (participates in β ladder)trans-143.6173.1-177.4-155.35.3000113.3P450 R453 D548P450-D590 WeakPolarHBondContact CA-OD1 3.32Å; P450-D590 HydrophobicContact CB-CB 4.29Å; P450-D590 WeakPolarHBondContact CB-OD2 3.49Å; P450-D590 VanDerWaalsContact CG-OD2 3.3Å; P450-D590 WeakPolarHBondContact CG-OD2 3.41Å; R453-D590 IonicContact CZ-OD1 3.72Å; R453-D590 VanDerWaalsContact CZ-OD1 3.26Å; R453-D590 IonicContact CZ-OD2 2.61Å; R453-D590 IonicContact NE-OD1 3.17Å; R453-D590 PolarHBondContact NE-OD1 3.32Å; R453-D590 IonicContact NE-OD2 2.67Å; R453-D590 VanDerWaalsContact NH2-CG 3.26Å; R453-D590 IonicContact NH2-OD1 2.79Å; R453-D590 PolarHBondContact NH2-OD1 2.7Å; R453-D590 IonicContact NH2-OD2 2.86Å; R453-D590 PolarHBondContact NH2-OD2 2.82Å; D548-D590 HydrophobicContact CB-CB 4.32Å; D548-D590 PolarHBondContact N-O 3.5Å; D548-D590 PolarHBondContact O-N 3.26Å
591L96.7Very high96Very high1 Ų142.2 Ų42.21%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-114.9135.2167.6-62173.9000110.3R453 F456 I457 V522 I545 E546 Y547 F593R453-L591 HydrophobicContact CB-CB 4.49Å; R453-L591 HydrophobicContact CB-CD1 4.39Å; R453-L591 PolarHBondContact NE-O 2.9Å; F456-L591 HydrophobicContact CD1-CD1 4.41Å; I457-L591 HydrophobicContact CD1-CD1 3.64Å; I457-L591 HydrophobicContact CD1-CD2 3.85Å; I457-L591 HydrophobicContact CD1-CG 3.69Å; I457-L591 HydrophobicContact CG1-CD1 3.83Å; I457-L591 HydrophobicContact CG1-CG 4.44Å; V522-L591 HydrophobicContact CG1-CD2 4.06Å; V522-L591 HydrophobicContact CG2-CD2 3.58Å; I545-L591 HydrophobicContact CG2-CD2 4.29Å; E546-L591 WeakPolarHBondContact O-CA 3.3Å; Y547-L591 HydrophobicContact CD2-CD2 3.72Å; L591-F593 HydrophobicContact CB-CE2 4.43Å; L591-F593 HydrophobicContact CB-CZ 4.23Å; L591-F593 HydrophobicContact CD1-CZ 4.26Å
592I96.3Very high95.7Very high35 Ų3544 Ų4418%0.17921%0.213CC..EExtended strand (participates in β ladder)trans-112.1123.2174.3-60.3173000108.4E546 D548 K594E546-I592 HydrophobicContact CB-CB 4.29Å; E546-I592 PolarHBondContact N-O 3.04Å; E546-I592 PolarHBondContact O-N 2.82Å; D548-I592 HydrophobicContact CB-CD1 3.84Å; D548-I592 HydrophobicContact CB-CG1 4.12Å; I592-K594 HydrophobicContact CG2-CG 4.23Å
593F97.3Very high95.4Very high3 Ų352.1 Ų52.11%0.01324%0.244CC..EExtended strand (participates in β ladder)trans-98.3128175.8-55.8-78.3000110.2L445 V446 R453 I545 L591 N599 V600 T612 V616L445-F593 HydrophobicContact CD2-CZ 4.44Å; L445-F593 HydrophobicContact CG-CZ 4.36Å; V446-F593 HydrophobicContact CB-CD2 4.24Å; V446-F593 HydrophobicContact CG1-CB 4.42Å; V446-F593 HydrophobicContact CG1-CD2 4.07Å; V446-F593 HydrophobicContact CG2-CD2 4.03Å; V446-F593 HydrophobicContact CG2-CE2 4.24Å; V446-F593 HydrophobicContact CG2-CG 4.4Å; R453-F593 HydrophobicContact CG-CE2 4.4Å; I545-F593 HydrophobicContact CD1-CD1 4.35Å; I545-F593 HydrophobicContact CD1-CE1 4.17Å; I545-F593 HydrophobicContact CG1-CD1 4.03Å; I545-F593 HydrophobicContact CG1-CE1 4.28Å; I545-F593 HydrophobicContact CG2-CD1 4.1Å; I545-F593 HydrophobicContact CG2-CE1 3.93Å; L591-F593 HydrophobicContact CB-CE2 4.43Å; L591-F593 HydrophobicContact CB-CZ 4.23Å; L591-F593 HydrophobicContact CD1-CZ 4.26Å; F593-N599 WeakPolarHBondContact O-CA 3.48Å; F593-V600 HydrophobicContact CB-CB 4.46Å; F593-V600 HydrophobicContact CB-CG2 4.41Å; F593-V600 PolarHBondContact O-N 2.88Å; F593-T612 HydrophobicContact CB-CG2 4.01Å; F593-T612 HydrophobicContact CD1-CG2 4.16Å; F593-T612 HydrophobicContact CG-CG2 4.14Å; F593-V616 HydrophobicContact CD1-CG2 4.21Å; F593-V616 HydrophobicContact CE1-CG1 4.49Å; F593-V616 HydrophobicContact CE1-CG2 3.79Å
594K97.1Very high95Very high52 Ų5250.3 Ų50.323%0.22624%0.24CC..EExtended strand (participates in β ladder)trans-121.6128.4176.1-63.7-179.6-175170.60110.5L543 A544 E546 I592 Q598L543-K594 CarbonylContact C-O 3.58Å; L543-K594 WeakPolarHBondContact CA-O 3.38Å; A544-K594 HydrophobicContact CB-CB 4.36Å; A544-K594 PolarHBondContact N-O 3.3Å; A544-K594 PolarHBondContact O-N 3.02Å; E546-K594 VanDerWaalsContact CD-CE 3.46Å; E546-K594 WeakPolarHBondContact OE1-CD 3.36Å; E546-K594 VanDerWaalsContact OE1-CE 3.27Å; E546-K594 WeakPolarHBondContact OE1-CE 3.15Å; E546-K594 IonicContact OE1-NZ 3.31Å; E546-K594 PolarHBondContact OE1-NZ 3.31Å; E546-K594 WeakPolarHBondContact OE2-CE 3.38Å; E546-K594 IonicContact OE2-NZ 2.73Å; E546-K594 PolarHBondContact OE2-NZ 3.11Å; I592-K594 HydrophobicContact CG2-CG 4.23Å; K594-Q598 CarbonylContact C-O 3.45Å; K594-Q598 WeakPolarHBondContact CA-O 3.23Å
595V95.9Very high94.7Very high6 Ų652.2 Ų52.24%0.03626%0.256CS..EExtended strand (participates in β ladder)trans-109.3125.3168.71670000107.5E541 T542 L543 Q597 Q598 V600E541-V595 HydrophobicContact CB-CG1 3.78Å; E541-V595 HydrophobicContact CG-CG1 3.98Å; T542-V595 WeakPolarHBondContact O-CA 3.31Å; L543-V595 HydrophobicContact CD1-CG2 4.02Å; V595-Q597 PolarHBondContact O-N 3.35Å; V595-Q598 PolarHBondContact N-O 2.87Å; V595-Q598 PolarHBondContact O-N 2.8Å; V595-V600 HydrophobicContact CB-CG2 3.66Å; V595-V600 HydrophobicContact CG2-CG2 3.44Å; V595-V600 VanDerWaalsContact CG2-CG2 3.44Å; V595-V600 VanDerWaalsContact N-CG2 3.34Å
596N94Very high94.3Very high79 Ų7959.4 Ų59.442%0.42229%0.289SS..THydrogen-bonded Turntrans50.543.6-175.1-60.3-23.6000111.9E541 T542 Q598E541-N596 WeakPolarHBondContact CA-OD1 3.46Å; T542-N596 PolarHBondContact N-OD1 2.99Å; T542-N596 PolarHBondContact O-N 3.24Å; N596-Q598 PolarHBondContact O-N 3.49Å; N596-Q598 VanDerWaalsContact O-N 3.17Å
597Q93Very high93.9Very high181 Ų18160.6 Ų60.685%0.84630%0.302SS*.THydrogen-bonded Turntrans67.3-0.9-176.8-52.8173.341.100116.1V595V595-Q597 PolarHBondContact O-N 3.35Å
598Q94.4Very high93.6Very high127 Ų12761.1 Ų61.159%0.59330%0.304SS*.EExtended strand (participates in β ladder)trans-95.5133.7177.4-62.2-172.37.300111.3K594 V595 N596 V600K594-Q598 CarbonylContact C-O 3.45Å; K594-Q598 WeakPolarHBondContact CA-O 3.23Å; V595-Q598 PolarHBondContact N-O 2.87Å; V595-Q598 PolarHBondContact O-N 2.8Å; N596-Q598 PolarHBondContact O-N 3.49Å; N596-Q598 VanDerWaalsContact O-N 3.17Å; Q598-V600 PolarHBondContact O-N 3.45Å; Q598-V600 VanDerWaalsContact O-N 3.1Å
599N94.8Very high93.3Very high37 Ų3757.6 Ų57.620%0.19829%0.292CS..EExtended strand (participates in β ladder)trans-62.8113.6177.2-175.4-28.9000110.6F593 Q601 T602 Y603F593-N599 WeakPolarHBondContact O-CA 3.48Å; N599-Q601 VanDerWaalsContact C-N 3.28Å; N599-Q601 PolarHBondContact O-N 2.81Å; N599-Q601 WeakPolarHBondContact OD1-CB 3.45Å; N599-Q601 PolarHBondContact OD1-N 3.06Å; N599-T602 PolarHBondContact O-N 2.93Å; N599-Y603 HydrophobicContact CB-CD2 4.37Å; N599-Y603 PolarHBondContact O-N 3.09Å
600V93.9Very high93Very high2 Ų261.7 Ų61.71%0.01231%0.307CS..Hα-helixtrans-67.9-30.4-175.2-172.60000111.6V446 F593 V595 Q598 T602 G604 Q608 Q609V446-V600 HydrophobicContact CG1-CB 3.95Å; V446-V600 HydrophobicContact CG1-CG1 3.8Å; F593-V600 HydrophobicContact CB-CB 4.46Å; F593-V600 HydrophobicContact CB-CG2 4.41Å; F593-V600 PolarHBondContact O-N 2.88Å; V595-V600 HydrophobicContact CB-CG2 3.66Å; V595-V600 HydrophobicContact CG2-CG2 3.44Å; V595-V600 VanDerWaalsContact CG2-CG2 3.44Å; V595-V600 VanDerWaalsContact N-CG2 3.34Å; Q598-V600 PolarHBondContact O-N 3.45Å; Q598-V600 VanDerWaalsContact O-N 3.1Å; V600-T602 VanDerWaalsContact C-N 3.34Å; V600-T602 PolarHBondContact O-N 2.67Å; V600-G604 VanDerWaalsContact O-CA 3.28Å; V600-G604 WeakPolarHBondContact O-CA 3.45Å; V600-G604 PolarHBondContact O-N 3.41Å; V600-Q608 HydrophobicContact CG1-CB 4.39Å; V600-Q609 HydrophobicContact CG1-CB 4.5Å; V600-Q609 HydrophobicContact CG1-CG 3.85Å; V600-Q609 PolarHBondContact O-NE2 3.24Å
601Q90.9Very high92.7Very high68 Ų6860.8 Ų60.832%0.31830%0.302SS..Hα-helixtrans-63.7-41.3179.2-172.1-179.119.200111.4V446 G448 N599V446-Q601 WeakPolarHBondContact O-CG 3.04Å; G448-Q601 PolarHBondContact O-NE2 3.06Å; N599-Q601 VanDerWaalsContact C-N 3.28Å; N599-Q601 PolarHBondContact O-N 2.81Å; N599-Q601 WeakPolarHBondContact OD1-CB 3.45Å; N599-Q601 PolarHBondContact OD1-N 3.06Å
602T90.1Very high92.6Very high91 Ų9160.7 Ų60.756%0.55830%0.302SS*.Hα-helixtrans-92.8-40.2-175.2-49.30000112.9N599 V600N599-T602 PolarHBondContact O-N 2.93Å; V600-T602 VanDerWaalsContact C-N 3.34Å; V600-T602 PolarHBondContact O-N 2.67Å
603Y91.1Very high92.5Very high170 Ų17059 Ų5967%0.66729%0.294SS*.Hα-helixtrans-116.7-13.1-169.2-56.3-73.2000113.8N599N599-Y603 HydrophobicContact CB-CD2 4.37Å; N599-Y603 PolarHBondContact O-N 3.09Å
604G87.6Confident92.2Very high15 Ų1558.9 Ų58.916%0.15529%0.293CS..  trans-70.5139.7-178.400000112.2V600 Q609V600-G604 VanDerWaalsContact O-CA 3.28Å; V600-G604 WeakPolarHBondContact O-CA 3.45Å; V600-G604 PolarHBondContact O-N 3.41Å; G604-Q609 PolarHBondContact O-NE2 2.93Å
605S91.1Very high92.1Very high62 Ų6256.4 Ų56.443%0.43428%0.282SS..  trans-63.1161.3169.567.70000111.4G607 Q608 Q609S605-G607 PolarHBondContact O-N 2.59Å; S605-Q608 PolarHBondContact O-N 2.64Å; S605-Q608 VanDerWaalsContact O-N 3.09Å; S605-Q608 WeakPolarHBondContact OG-CG 3.18Å; S605-Q608 PolarHBondContact OG-N 2.84Å; S605-Q608 PolarHBondContact OG-OE1 2.84Å; S605-Q609 WeakPolarHBondContact O-CG 3.3Å; S605-Q609 PolarHBondContact O-N 3.41Å
606Q89.3Confident92Very high151 Ų15156.1 Ų56.171%0.70628%0.281SS*.Hα-helixtrans-57.7-36.1175.7-68.8-174.4-2.200112.6Q609 R610Q606-Q609 PolarHBondContact O-N 2.52Å; Q606-R610 WeakPolarHBondContact O-CG 3.27Å; Q606-R610 PolarHBondContact O-N 2.83Å
607G88.6Confident92Very high25 Ų2552.7 Ų52.726%0.25826%0.262SS..Hα-helixtrans-65.8-40.8175.400000112.8S605 R610 T611 R647S605-G607 PolarHBondContact O-N 2.59Å; G607-R610 PolarHBondContact O-N 2.82Å; G607-T611 WeakPolarHBondContact O-CB 3.32Å; G607-T611 PolarHBondContact O-N 3.01Å; G607-T611 PolarHBondContact O-OG1 3.22Å; G607-R647 PolarHBondContact O-NH2 2.87Å
608Q91.4Very high91.9Very high52 Ų5244.1 Ų44.124%0.24322%0.222CC..Hα-helixtrans-67.1-40.7175.2-76.2170.9-4600111.8E541 V600 S605 R610 T611 T612E541-Q608 PolarHBondContact OE1-NE2 3.42Å; V600-Q608 HydrophobicContact CG1-CB 4.39Å; S605-Q608 PolarHBondContact O-N 2.64Å; S605-Q608 VanDerWaalsContact O-N 3.09Å; S605-Q608 WeakPolarHBondContact OG-CG 3.18Å; S605-Q608 PolarHBondContact OG-N 2.84Å; S605-Q608 PolarHBondContact OG-OE1 2.84Å; Q608-R610 PolarHBondContact O-N 3.28Å; Q608-T611 PolarHBondContact O-N 2.82Å; Q608-T612 VanDerWaalsContact O-CB 3.29Å; Q608-T612 WeakPolarHBondContact O-CB 3.39Å; Q608-T612 PolarHBondContact O-N 3.45Å; Q608-T612 PolarHBondContact O-OG1 2.99Å
609Q92.1Very high91.9Very high29 Ų2938.1 Ų38.114%0.13619%0.194CC..Hα-helixtrans-59.3-46.6174.5-70.5173.68.800111.5V446 V600 G604 S605 Q606 T612 A613V446-Q609 HydrophobicContact CG1-CG 4.27Å; V600-Q609 HydrophobicContact CG1-CB 4.5Å; V600-Q609 HydrophobicContact CG1-CG 3.85Å; V600-Q609 PolarHBondContact O-NE2 3.24Å; G604-Q609 PolarHBondContact O-NE2 2.93Å; S605-Q609 WeakPolarHBondContact O-CG 3.3Å; S605-Q609 PolarHBondContact O-N 3.41Å; Q606-Q609 PolarHBondContact O-N 2.52Å; Q609-T612 PolarHBondContact O-N 3.41Å; Q609-A613 WeakPolarHBondContact O-CB 3.31Å; Q609-A613 PolarHBondContact O-N 3.01Å
610R90.2Very high91.8Very high87 Ų8736.5 Ų36.533%0.32819%0.185SC..Hα-helixtrans-63.4-44.3176.5-73.4179.5178-161.3-7.2112.4L443 Q606 G607 Q608 T612 A613 L614 E642L443-R610 HydrophobicContact CD2-CB 4.42Å; L443-R610 HydrophobicContact CD2-CG 4.37Å; Q606-R610 WeakPolarHBondContact O-CG 3.27Å; Q606-R610 PolarHBondContact O-N 2.83Å; G607-R610 PolarHBondContact O-N 2.82Å; Q608-R610 PolarHBondContact O-N 3.28Å; R610-T612 VanDerWaalsContact C-N 3.34Å; R610-T612 PolarHBondContact O-N 3.36Å; R610-A613 PolarHBondContact O-N 3.26Å; R610-L614 WeakPolarHBondContact O-CB 3.23Å; R610-L614 PolarHBondContact O-N 3.27Å; R610-E642 IonicContact CZ-OE2 2.65Å; R610-E642 PolarHBondContact NH1-O 2.73Å; R610-E642 IonicContact NH1-OE2 3.27Å; R610-E642 IonicContact NH2-OE2 3.49Å; R610-E642 PolarHBondContact NH2-OE2 3.38Å
611T91.2Very high91.7Very high3 Ų336.5 Ų36.52%0.01819%0.185CC..Hα-helixtrans-63.8-42178.5-50.50000111.3I536 T537 G607 Q608 L614 S615 R647I536-T611 HydrophobicContact CB-CG2 4.38Å; I536-T611 HydrophobicContact CG2-CG2 3.71Å; T537-T611 HydrophobicContact CG2-CG2 3.84Å; G607-T611 WeakPolarHBondContact O-CB 3.32Å; G607-T611 PolarHBondContact O-N 3.01Å; G607-T611 PolarHBondContact O-OG1 3.22Å; Q608-T611 PolarHBondContact O-N 2.82Å; T611-L614 PolarHBondContact O-N 2.91Å; T611-S615 WeakPolarHBondContact O-CB 3.5Å; T611-S615 PolarHBondContact O-N 3.21Å; T611-S615 PolarHBondContact O-OG 2.85Å; T611-R647 PolarHBondContact OG1-NE 3.33Å; T611-R647 PolarHBondContact OG1-NH2 3.5Å
612T94.7Very high91.7Very high0 Ų034.3 Ų34.30%018%0.176CC..Hα-helixtrans-62.8-48.5176.4-58.50000110.6V446 L543 F593 Q608 Q609 R610 L614 S615 V616V446-T612 HydrophobicContact CG2-CG2 3.6Å; L543-T612 HydrophobicContact CD1-CG2 3.67Å; L543-T612 HydrophobicContact CD2-CG2 4.23Å; F593-T612 HydrophobicContact CB-CG2 4.01Å; F593-T612 HydrophobicContact CD1-CG2 4.16Å; F593-T612 HydrophobicContact CG-CG2 4.14Å; Q608-T612 VanDerWaalsContact O-CB 3.29Å; Q608-T612 WeakPolarHBondContact O-CB 3.39Å; Q608-T612 PolarHBondContact O-N 3.45Å; Q608-T612 PolarHBondContact O-OG1 2.99Å; Q609-T612 PolarHBondContact O-N 3.41Å; R610-T612 VanDerWaalsContact C-N 3.34Å; R610-T612 PolarHBondContact O-N 3.36Å; T612-L614 PolarHBondContact O-N 3.03Å; T612-S615 PolarHBondContact O-N 2.85Å; T612-V616 VanDerWaalsContact O-CG2 3.29Å; T612-V616 WeakPolarHBondContact O-CG2 3.49Å; T612-V616 PolarHBondContact O-N 2.81Å
613A93.6Very high91.8Very high0 Ų030.2 Ų30.20%015%0.15CC..Hα-helixtrans-59-45.9176.400000112L443 V446 Q609 R610 S615 V616 K617L443-A613 HydrophobicContact CD2-CB 4.4Å; V446-A613 HydrophobicContact CG2-CB 4.11Å; Q609-A613 WeakPolarHBondContact O-CB 3.31Å; Q609-A613 PolarHBondContact O-N 3.01Å; R610-A613 PolarHBondContact O-N 3.26Å; A613-S615 PolarHBondContact O-N 2.9Å; A613-V616 PolarHBondContact O-N 2.77Å; A613-K617 WeakPolarHBondContact O-CB 3.37Å; A613-K617 WeakPolarHBondContact O-CG 3.13Å; A613-K617 PolarHBondContact O-N 3.12Å
614L92.2Very high91.7Very high0 Ų022.2 Ų22.20%012%0.119CC..Hα-helixtrans-58.8-46.3175.617765.8000112.1F438 I536 R610 T611 T612 K617 L618 L643 R647 L651F438-L614 HydrophobicContact CD1-CD1 4.36Å; F438-L614 HydrophobicContact CE1-CD1 3.35Å; F438-L614 HydrophobicContact CZ-CB 4.45Å; F438-L614 HydrophobicContact CZ-CD1 3.77Å; I536-L614 HydrophobicContact CD1-CD2 4.07Å; I536-L614 HydrophobicContact CD1-CG 4.19Å; R610-L614 WeakPolarHBondContact O-CB 3.23Å; R610-L614 PolarHBondContact O-N 3.27Å; T611-L614 PolarHBondContact O-N 2.91Å; T612-L614 PolarHBondContact O-N 3.03Å; L614-K617 PolarHBondContact O-N 3.4Å; L614-L618 HydrophobicContact CD1-CD1 3.72Å; L614-L618 HydrophobicContact CD1-CG 4.09Å; L614-L618 HydrophobicContact CG-CD1 4.07Å; L614-L618 WeakPolarHBondContact O-CB 3.28Å; L614-L618 WeakPolarHBondContact O-CG 3.23Å; L614-L618 PolarHBondContact O-N 2.92Å; L614-L643 HydrophobicContact CD1-CD1 4.3Å; L614-L643 HydrophobicContact CD2-CD2 4.36Å; L614-R647 HydrophobicContact CD2-CB 4.03Å; L614-R647 HydrophobicContact CD2-CG 4.25Å; L614-L651 HydrophobicContact CD1-CD1 4.32Å
615S93.7Very high91.7Very high0 Ų022.4 Ų22.40%012%0.115CC..Hα-helixtrans-63.8-44.6-178.4-51.30000111H533 T611 T612 A613 A619H533-S615 WeakPolarHBondContact CA-OG 3.36Å; H533-S615 PolarHBondContact ND1-OG 2.99Å; T611-S615 WeakPolarHBondContact O-CB 3.5Å; T611-S615 PolarHBondContact O-N 3.21Å; T611-S615 PolarHBondContact O-OG 2.85Å; T612-S615 PolarHBondContact O-N 2.85Å; A613-S615 PolarHBondContact O-N 2.9Å; S615-A619 VanDerWaalsContact O-CB 3.23Å; S615-A619 WeakPolarHBondContact O-CB 3.39Å; S615-A619 PolarHBondContact O-N 3.44Å
616V95Very high91.5Very high0 Ų023.9 Ų23.90%012%0.115CC..Hα-helixtrans-63.6-43.9176.9173.90000110.9L445 F456 L525 L543 I545 F593 T612 A613 L618 A619L445-V616 HydrophobicContact CD2-CB 4.41Å; L445-V616 HydrophobicContact CD2-CG1 3.82Å; F456-V616 HydrophobicContact CE1-CG1 4.04Å; F456-V616 HydrophobicContact CZ-CG1 3.91Å; L525-V616 HydrophobicContact CD1-CG1 4.35Å; L525-V616 HydrophobicContact CD2-CG1 4.16Å; L543-V616 HydrophobicContact CD2-CG2 4.19Å; I545-V616 HydrophobicContact CD1-CG2 3.92Å; F593-V616 HydrophobicContact CD1-CG2 4.21Å; F593-V616 HydrophobicContact CE1-CG1 4.49Å; F593-V616 HydrophobicContact CE1-CG2 3.79Å; T612-V616 VanDerWaalsContact O-CG2 3.29Å; T612-V616 WeakPolarHBondContact O-CG2 3.49Å; T612-V616 PolarHBondContact O-N 2.81Å; A613-V616 PolarHBondContact O-N 2.77Å; V616-L618 PolarHBondContact O-N 2.88Å; V616-A619 PolarHBondContact O-N 3.27Å
617K92.4Very high91.3Very high6 Ų620.7 Ų20.73%0.02610%0.101CC..Hα-helixtrans-63.9-40.1-178.7-78.3-59.4-51.8161.20113.3L437 F438 D442 F456 A613 L614 E620L437-K617 WeakPolarHBondContact O-CE 3.39Å; L437-K617 PolarHBondContact O-NZ 3.39Å; L437-K617 VanDerWaalsContact O-NZ 3.12Å; F438-K617 HydrophobicContact CD2-CB 4.09Å; F438-K617 HydrophobicContact CD2-CG 3.8Å; F438-K617 HydrophobicContact CE2-CB 4.23Å; F438-K617 HydrophobicContact CE2-CG 3.93Å; F438-K617 HydrophobicContact CG-CB 4.4Å; D442-K617 HydrophobicContact CB-CD 4.05Å; D442-K617 HydrophobicContact CB-CG 4.09Å; F456-K617 HydrophobicContact CE2-CD 4.5Å; A613-K617 WeakPolarHBondContact O-CB 3.37Å; A613-K617 WeakPolarHBondContact O-CG 3.13Å; A613-K617 PolarHBondContact O-N 3.12Å; L614-K617 PolarHBondContact O-N 3.4Å; K617-E620 WeakPolarHBondContact CA-OE1 3.37Å; K617-E620 WeakPolarHBondContact CD-OE1 3.49Å; K617-E620 WeakPolarHBondContact CE-OE1 3.25Å; K617-E620 VanDerWaalsContact NZ-CD 3.27Å; K617-E620 IonicContact NZ-OE1 2.93Å; K617-E620 PolarHBondContact NZ-OE1 2.85Å; K617-E620 IonicContact NZ-OE2 2.69Å; K617-E620 PolarHBondContact NZ-OE2 3.27Å; K617-E620 WeakPolarHBondContact O-CB 3.44Å
618L91.5Very high90.8Very high1 Ų121.7 Ų21.71%0.00510%0.102CC..Hα-helixtrans-80.2-29-179.9-70.6179.4000112.9L532 L614 V616 E620 I621 L651 T654 I655L532-L618 HydrophobicContact CD2-CB 3.17Å; L532-L618 HydrophobicContact CD2-CD1 3.95Å; L532-L618 HydrophobicContact CD2-CG 4.2Å; L614-L618 HydrophobicContact CD1-CD1 3.72Å; L614-L618 HydrophobicContact CD1-CG 4.09Å; L614-L618 HydrophobicContact CG-CD1 4.07Å; L614-L618 WeakPolarHBondContact O-CB 3.28Å; L614-L618 WeakPolarHBondContact O-CG 3.23Å; L614-L618 PolarHBondContact O-N 2.92Å; V616-L618 PolarHBondContact O-N 2.88Å; L618-E620 PolarHBondContact O-N 3.48Å; L618-I621 HydrophobicContact CD2-CD1 3.94Å; L618-I621 WeakPolarHBondContact O-CB 3.31Å; L618-I621 WeakPolarHBondContact O-CG1 3.43Å; L618-I621 PolarHBondContact O-N 2.85Å; L618-L651 HydrophobicContact CD1-CD1 3.78Å; L618-L651 HydrophobicContact CD2-CD1 3.49Å; L618-L651 VanDerWaalsContact CD2-CD1 3.49Å; L618-L651 HydrophobicContact CG-CD1 4.12Å; L618-T654 HydrophobicContact CD1-CG2 4.45Å; L618-I655 HydrophobicContact CD2-CG2 4.31Å
619A93.9Very high90Very high1 Ų120.4 Ų20.41%0.00810%0.102CC..Hα-helixtrans-61-22.9174.400000113.6L525 W528 S529 S615 V616 I621 L623L525-A619 HydrophobicContact CD1-CB 4.28Å; W528-A619 HydrophobicContact CB-CB 3.77Å; S529-A619 VanDerWaalsContact OG-CB 3.31Å; S529-A619 WeakPolarHBondContact OG-CB 3.47Å; S615-A619 VanDerWaalsContact O-CB 3.23Å; S615-A619 WeakPolarHBondContact O-CB 3.39Å; S615-A619 PolarHBondContact O-N 3.44Å; V616-A619 PolarHBondContact O-N 3.27Å; A619-I621 PolarHBondContact O-N 2.88Å; A619-L623 WeakPolarHBondContact O-CB 3.48Å; A619-L623 PolarHBondContact O-N 3.37Å; A619-L623 VanDerWaalsContact O-N 3.11Å
620E93.5Very high89.2Confident3 Ų321.2 Ų21.21%0.01411%0.106CC..Hα-helixtrans-58.8-31.5172.3-68.4167-121.900112.7I436 F456 E460 K617 L618 M624I436-E620 HydrophobicContact CD1-CB 3.45Å; I436-E620 VanDerWaalsContact CD1-CB 3.45Å; I436-E620 HydrophobicContact CG1-CB 4.16Å; F456-E620 VanDerWaalsContact CE2-CD 3.43Å; F456-E620 HydrophobicContact CE2-CG 4.14Å; F456-E620 WeakPolarHBondContact CE2-OE1 3.15Å; F456-E620 HydrophobicContact CZ-CG 4.15Å; E460-E620 HydrophobicContact CG-CG 4.31Å; E460-E620 WeakPolarHBondContact CG-OE2 3.41Å; K617-E620 WeakPolarHBondContact CA-OE1 3.37Å; K617-E620 WeakPolarHBondContact CD-OE1 3.49Å; K617-E620 WeakPolarHBondContact CE-OE1 3.25Å; K617-E620 VanDerWaalsContact NZ-CD 3.27Å; K617-E620 IonicContact NZ-OE1 2.93Å; K617-E620 PolarHBondContact NZ-OE1 2.85Å; K617-E620 IonicContact NZ-OE2 2.69Å; K617-E620 PolarHBondContact NZ-OE2 3.27Å; K617-E620 WeakPolarHBondContact O-CB 3.44Å; L618-E620 PolarHBondContact O-N 3.48Å; E620-M624 WeakPolarHBondContact O-CB 3.41Å; E620-M624 PolarHBondContact O-N 3.26Å
621I91.8Very high89.1Confident3 Ų318 Ų182%0.0159%0.094CC..Hα-helixtrans-61.3-54.4-178.3-63.9169000109.9I436 L618 A619 K625 Y631 L634 I655 V659I436-I621 HydrophobicContact CD1-CB 4.29Å; I436-I621 HydrophobicContact CD1-CG1 3.63Å; L618-I621 HydrophobicContact CD2-CD1 3.94Å; L618-I621 WeakPolarHBondContact O-CB 3.31Å; L618-I621 WeakPolarHBondContact O-CG1 3.43Å; L618-I621 PolarHBondContact O-N 2.85Å; A619-I621 PolarHBondContact O-N 2.88Å; I621-K625 WeakPolarHBondContact O-CB 3.18Å; I621-K625 PolarHBondContact O-N 2.89Å; I621-K625 VanDerWaalsContact O-N 3.11Å; I621-Y631 HydrophobicContact CG2-CD1 3.74Å; I621-Y631 HydrophobicContact CG2-CE1 3.98Å; I621-L634 HydrophobicContact CD1-CD1 4.38Å; I621-L634 HydrophobicContact CD1-CD2 4.24Å; I621-I655 HydrophobicContact CD1-CG2 4.18Å; I621-V659 HydrophobicContact CG2-CG1 3.56Å
622D90.8Very high89.1Confident22 Ų2218 Ų1812%0.1189%0.094CC..Hα-helixtrans-70.5-36.9-178.4-65.8-44.2000111.3W528 K625 E626W528-D622 HydrophobicContact CD2-CB 3.63Å; W528-D622 HydrophobicContact CE3-CB 3.52Å; W528-D622 HydrophobicContact CG-CB 4.22Å; W528-D622 HydrophobicContact CH2-CB 4.14Å; W528-D622 HydrophobicContact CZ2-CB 4.25Å; W528-D622 HydrophobicContact CZ3-CB 3.79Å; D622-K625 WeakPolarHBondContact O-CB 3.33Å; D622-K625 PolarHBondContact O-N 2.93Å; D622-E626 PolarHBondContact O-N 2.95Å
623L91.9Very high89Confident4 Ų418.2 Ų18.22%0.02110%0.095CC..Hα-helixtrans-63-46.1175.7-176.6154.9000111.8I464 F521 K524 L525 A619 K625 E626 E627I464-L623 HydrophobicContact CD1-CD2 4.02Å; F521-L623 HydrophobicContact CD2-CD1 3.99Å; F521-L623 HydrophobicContact CD2-CD2 3.88Å; F521-L623 HydrophobicContact CE2-CD1 3.79Å; F521-L623 HydrophobicContact CE2-CD2 3.51Å; F521-L623 HydrophobicContact CE2-CG 4.35Å; F521-L623 HydrophobicContact CZ-CD1 4.45Å; K524-L623 HydrophobicContact CB-CD1 3.84Å; K524-L623 HydrophobicContact CB-CG 4.38Å; L525-L623 HydrophobicContact CB-CD1 3.92Å; L525-L623 HydrophobicContact CD1-CD1 4.3Å; A619-L623 WeakPolarHBondContact O-CB 3.48Å; A619-L623 PolarHBondContact O-N 3.37Å; A619-L623 VanDerWaalsContact O-N 3.11Å; L623-K625 VanDerWaalsContact C-N 3.26Å; L623-K625 PolarHBondContact O-N 3.16Å; L623-E626 WeakPolarHBondContact O-CB 3.47Å; L623-E626 PolarHBondContact O-N 2.88Å; L623-E627 HydrophobicContact CD2-CG 4.18Å; L623-E627 WeakPolarHBondContact O-CG 3.34Å; L623-E627 PolarHBondContact O-N 2.87Å
624M89.7Confident89.1Confident3 Ų318.3 Ų18.32%0.01510%0.096CC..Hα-helixtrans-65.3-36.3179.9-173.5165.3-69.800111.1N434 Q463 I464 E620 E627 T628 P632N434-M624 HydrophobicContact CB-SD 3.59Å; N434-M624 VanDerWaalsContact CB-SD 3.59Å; Q463-M624 HydrophobicContact CB-CE 3.96Å; I464-M624 HydrophobicContact CG2-CB 4.34Å; I464-M624 HydrophobicContact CG2-CE 3.89Å; I464-M624 HydrophobicContact CG2-CG 3.73Å; I464-M624 HydrophobicContact CG2-SD 4.42Å; E620-M624 WeakPolarHBondContact O-CB 3.41Å; E620-M624 PolarHBondContact O-N 3.26Å; M624-E627 PolarHBondContact O-N 3.08Å; M624-T628 HydrophobicContact CG-CG2 4.27Å; M624-T628 WeakPolarHBondContact O-CB 3.25Å; M624-T628 PolarHBondContact O-N 2.82Å; M624-T628 PolarHBondContact O-OG1 3.15Å; M624-P632 HydrophobicContact CB-CG 4.31Å; M624-P632 HydrophobicContact CG-CG 4.39Å; M624-P632 HydrophobicContact SD-CB 3.54Å; M624-P632 VanDerWaalsContact SD-CB 3.54Å; M624-P632 HydrophobicContact SD-CG 3.82Å
625K86.9Confident89.2Confident18 Ų1818.3 Ų18.38%0.07810%0.096CC..Hα-helixtrans-61.8-45173-17959.4170.2-170.30112.6T299 I621 D622 L623 E627 G629 E630 Y631T299-K625 WeakPolarHBondContact OG1-CE 3.34Å; I621-K625 WeakPolarHBondContact O-CB 3.18Å; I621-K625 PolarHBondContact O-N 2.89Å; I621-K625 VanDerWaalsContact O-N 3.11Å; D622-K625 WeakPolarHBondContact O-CB 3.33Å; D622-K625 PolarHBondContact O-N 2.93Å; L623-K625 VanDerWaalsContact C-N 3.26Å; L623-K625 PolarHBondContact O-N 3.16Å; K625-E627 VanDerWaalsContact C-N 3.32Å; K625-E627 PolarHBondContact O-N 2.94Å; K625-G629 WeakPolarHBondContact CD-O 3.34Å; K625-G629 VanDerWaalsContact CE-O 3.29Å; K625-G629 WeakPolarHBondContact CE-O 3.4Å; K625-G629 PolarHBondContact NZ-O 2.85Å; K625-G629 VanDerWaalsContact O-CA 3.24Å; K625-G629 WeakPolarHBondContact O-CA 3.26Å; K625-G629 PolarHBondContact O-N 2.93Å; K625-E630 WeakPolarHBondContact CA-O 3.5Å; K625-E630 VanDerWaalsContact CD-C 3.45Å; K625-Y631 HydrophobicContact CB-CD1 3.66Å; K625-Y631 HydrophobicContact CB-CE1 3.63Å; K625-Y631 HydrophobicContact CB-CG 4.38Å; K625-Y631 HydrophobicContact CD-CD1 3.97Å; K625-Y631 HydrophobicContact CD-CD2 3.94Å; K625-Y631 HydrophobicContact CD-CE1 4.14Å; K625-Y631 HydrophobicContact CD-CE2 4.12Å; K625-Y631 HydrophobicContact CD-CG 3.86Å; K625-Y631 HydrophobicContact CG-CD1 3.88Å; K625-Y631 HydrophobicContact CG-CD2 4.44Å; K625-Y631 HydrophobicContact CG-CE1 3.63Å; K625-Y631 HydrophobicContact CG-CE2 4.24Å; K625-Y631 HydrophobicContact CG-CG 4.28Å
626E88Confident89.3Confident93 Ų9318.3 Ų18.344%0.43510%0.096SC..Hα-helixtrans-61.1-40.3177.3-168.6-166.2143.300112.1K524 W528 D622 L623K524-E626 WeakPolarHBondContact CE-OE1 3.45Å; K524-E626 IonicContact NZ-OE1 3.87Å; K524-E626 PolarHBondContact NZ-OE1 3.02Å; W528-E626 PolarHBondContact NE1-OE2 3.47Å; D622-E626 PolarHBondContact O-N 2.95Å; L623-E626 WeakPolarHBondContact O-CB 3.47Å; L623-E626 PolarHBondContact O-N 2.88Å
627E84.1Confident89.2Confident85 Ų8518.8 Ų18.840%0.39710%0.099SC..Hα-helixtrans-82.2-36.8-175.1-70-72155.600113.8I464 K524 L623 M624 K625I464-E627 HydrophobicContact CB-CB 4.25Å; I464-E627 HydrophobicContact CD1-CB 4.34Å; I464-E627 HydrophobicContact CD1-CG 4.11Å; I464-E627 HydrophobicContact CG2-CB 4.42Å; K524-E627 WeakPolarHBondContact CD-OE1 3.5Å; K524-E627 WeakPolarHBondContact CE-OE1 3.43Å; K524-E627 IonicContact NZ-OE1 3.5Å; K524-E627 PolarHBondContact NZ-OE1 3.18Å; L623-E627 HydrophobicContact CD2-CG 4.18Å; L623-E627 WeakPolarHBondContact O-CG 3.34Å; L623-E627 PolarHBondContact O-N 2.87Å; M624-E627 PolarHBondContact O-N 3.08Å; K625-E627 VanDerWaalsContact C-N 3.32Å; K625-E627 PolarHBondContact O-N 2.94Å
628T79.2Confident89Confident45 Ų4520.4 Ų20.428%0.27611%0.107SC..Hα-helixtrans-107.5-13.2-17268.10000113.6I464 M624 E630I464-T628 HydrophobicContact CB-CG2 3.92Å; I464-T628 HydrophobicContact CG2-CG2 3.65Å; M624-T628 HydrophobicContact CG-CG2 4.27Å; M624-T628 WeakPolarHBondContact O-CB 3.25Å; M624-T628 PolarHBondContact O-N 2.82Å; M624-T628 PolarHBondContact O-OG1 3.15Å; T628-E630 PolarHBondContact O-N 3.27Å; T628-E630 PolarHBondContact OG1-N 3Å; T628-E630 VanDerWaalsContact OG1-N 3.17Å; T628-E630 PolarHBondContact OG1-O 3.17Å; T628-E630 VanDerWaalsContact OG1-O 3.12Å
629G73.1Confident88.9Confident25 Ų2520.3 Ų20.326%0.25811%0.107SC..SBendtrans75.1-6.6-169.400000113.6F301 K625F301-G629 WeakPolarHBondContact CE2-O 3.23Å; F301-G629 WeakPolarHBondContact CZ-O 3.39Å; K625-G629 WeakPolarHBondContact CD-O 3.34Å; K625-G629 VanDerWaalsContact CE-O 3.29Å; K625-G629 WeakPolarHBondContact CE-O 3.4Å; K625-G629 PolarHBondContact NZ-O 2.85Å; K625-G629 VanDerWaalsContact O-CA 3.24Å; K625-G629 WeakPolarHBondContact O-CA 3.26Å; K625-G629 PolarHBondContact O-N 2.93Å
630E76.8Confident88.5Confident47 Ų4720.3 Ų20.322%0.2211%0.107CC..SBendtrans-118.2142.3-176.6-66.6-176.7163.400111P323 R398 K625 T628P323-E630 HydrophobicContact CG-CB 3.86Å; P323-E630 HydrophobicContact CG-CG 3.9Å; R398-E630 IonicContact NE-OE2 3.16Å; R398-E630 IonicContact NH2-OE2 3.37Å; K625-E630 WeakPolarHBondContact CA-O 3.5Å; K625-E630 VanDerWaalsContact CD-C 3.45Å; T628-E630 PolarHBondContact O-N 3.27Å; T628-E630 PolarHBondContact OG1-N 3Å; T628-E630 VanDerWaalsContact OG1-N 3.17Å; T628-E630 PolarHBondContact OG1-O 3.17Å; T628-E630 VanDerWaalsContact OG1-O 3.12Å
631Y86.4Confident88.2Confident19 Ų1923 Ų238%0.07513%0.126CC..PPolyproline II helixtrans-78.1142.6170.4-81.7-62.8000109.2I621 K625 V659I621-Y631 HydrophobicContact CG2-CD1 3.74Å; I621-Y631 HydrophobicContact CG2-CE1 3.98Å; K625-Y631 HydrophobicContact CB-CD1 3.66Å; K625-Y631 HydrophobicContact CB-CE1 3.63Å; K625-Y631 HydrophobicContact CB-CG 4.38Å; K625-Y631 HydrophobicContact CD-CD1 3.97Å; K625-Y631 HydrophobicContact CD-CD2 3.94Å; K625-Y631 HydrophobicContact CD-CE1 4.14Å; K625-Y631 HydrophobicContact CD-CE2 4.12Å; K625-Y631 HydrophobicContact CD-CG 3.86Å; K625-Y631 HydrophobicContact CG-CD1 3.88Å; K625-Y631 HydrophobicContact CG-CD2 4.44Å; K625-Y631 HydrophobicContact CG-CE1 3.63Å; K625-Y631 HydrophobicContact CG-CE2 4.24Å; K625-Y631 HydrophobicContact CG-CG 4.28Å; Y631-V659 HydrophobicContact CD1-CG1 4.05Å; Y631-V659 HydrophobicContact CG-CG1 4.14Å
632P91.4Very high87.8Confident3 Ų326.2 Ų26.22%0.01914%0.141CC..PPolyproline II helixtrans-74.5161.8173.626.1-28.6000112.5N434 I436 M624N434-P632 HydrophobicContact CB-CB 4.25Å; N434-P632 WeakPolarHBondContact O-CA 3.48Å; I436-P632 HydrophobicContact CD1-CB 4.14Å; I436-P632 HydrophobicContact CD1-CG 3.38Å; I436-P632 HydrophobicContact CG1-CB 4.08Å; I436-P632 HydrophobicContact CG1-CG 3.89Å; M624-P632 HydrophobicContact CB-CG 4.31Å; M624-P632 HydrophobicContact CG-CG 4.39Å; M624-P632 HydrophobicContact SD-CB 3.54Å; M624-P632 VanDerWaalsContact SD-CB 3.54Å; M624-P632 HydrophobicContact SD-CG 3.82Å
633I93.4Very high87.5Confident5 Ų525.7 Ų25.73%0.02614%0.138CC..EExtended strand (participates in β ladder)trans-74.1132160.4-64-178000109L325 L433 N434 V435 I436 L635 Q660 F662L325-I633 HydrophobicContact CB-CD1 3.42Å; L325-I633 VanDerWaalsContact CB-CD1 3.42Å; L433-I633 HydrophobicContact CD1-CD1 3.64Å; L433-I633 HydrophobicContact CD1-CG1 4.33Å; N434-I633 PolarHBondContact O-N 3.48Å; V435-I633 CarbonylContact C-O 3.47Å; V435-I633 VanDerWaalsContact CA-O 3.3Å; V435-I633 WeakPolarHBondContact CA-O 3.29Å; V435-I633 HydrophobicContact CG1-CB 4.27Å; I436-I633 PolarHBondContact N-O 2.96Å; I633-L635 HydrophobicContact CG2-CD2 3.8Å; I633-Q660 WeakPolarHBondContact CA-O 3.28Å; I633-Q660 HydrophobicContact CG1-CB 4.4Å; I633-F662 HydrophobicContact CD1-CE2 4.41Å; I633-F662 HydrophobicContact CG2-CD2 3.46Å; I633-F662 VanDerWaalsContact CG2-CD2 3.46Å; I633-F662 HydrophobicContact CG2-CE2 3.46Å; I633-F662 VanDerWaalsContact CG2-CE2 3.46Å
634L94.8Very high87.2Confident1 Ų128.6 Ų28.61%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-98.1126.3176.3-175.965.8000111.2I436 I621 L636 I655 V659 Q660 T661 F662I436-L634 HydrophobicContact CB-CD1 4.05Å; I436-L634 HydrophobicContact CG2-CD1 3.88Å; I621-L634 HydrophobicContact CD1-CD1 4.38Å; I621-L634 HydrophobicContact CD1-CD2 4.24Å; L634-L636 HydrophobicContact CD1-CD2 4.06Å; L634-L636 HydrophobicContact CD2-CD1 4.24Å; L634-L636 HydrophobicContact CD2-CD2 3.91Å; L634-L636 HydrophobicContact CD2-CG 4.07Å; L634-L636 HydrophobicContact CG-CD2 3.87Å; L634-L636 HydrophobicContact CG-CG 4.03Å; L634-I655 HydrophobicContact CD2-CB 3.91Å; L634-I655 HydrophobicContact CD2-CD1 4.11Å; L634-I655 HydrophobicContact CD2-CG2 3.24Å; L634-V659 HydrophobicContact CB-CG2 3.82Å; L634-V659 HydrophobicContact CD2-CG2 4.11Å; L634-Q660 PolarHBondContact N-O 3.41Å; L634-T661 HydrophobicContact CB-CG2 4.49Å; L634-T661 HydrophobicContact CD2-CG2 4.32Å; L634-T661 HydrophobicContact CG-CG2 4.5Å; L634-T661 CarbonylContact O-C 3.59Å; L634-T661 VanDerWaalsContact O-CA 3.27Å; L634-T661 WeakPolarHBondContact O-CA 3.44Å; L634-F662 PolarHBondContact O-N 3.31Å
635L95.5Very high87Confident0 Ų033.6 Ų33.60%018%0.18CC..EExtended strand (participates in β ladder)trans-111.2114.3176-49.6178.8000108.3L362 I365 V435 I436 L437 F438 I633 F662L362-L635 HydrophobicContact CD2-CB 4.15Å; L362-L635 HydrophobicContact CG-CB 4.21Å; L362-L635 HydrophobicContact CG-CD2 4.49Å; I365-L635 HydrophobicContact CB-CD1 4.11Å; I365-L635 HydrophobicContact CB-CD2 4.21Å; I365-L635 HydrophobicContact CD1-CD2 4.09Å; I365-L635 HydrophobicContact CG2-CD1 4.12Å; I365-L635 HydrophobicContact CG2-CD2 3.94Å; V435-L635 HydrophobicContact CB-CD1 4.47Å; I436-L635 PolarHBondContact O-N 3.11Å; L437-L635 CarbonylContact C-O 3.53Å; L437-L635 WeakPolarHBondContact CA-O 3.38Å; L437-L635 HydrophobicContact CB-CB 4.48Å; L437-L635 HydrophobicContact CD1-CB 3.71Å; F438-L635 PolarHBondContact N-O 3.35Å; I633-L635 HydrophobicContact CG2-CD2 3.8Å; L635-F662 WeakPolarHBondContact CA-O 3.43Å; L635-F662 HydrophobicContact CD2-CB 3.77Å; L635-F662 HydrophobicContact CD2-CD2 3.77Å; L635-F662 HydrophobicContact CD2-CG 3.99Å
636L94.5Very high86.8Confident0 Ų036 Ų360%019%0.194CC..EExtended strand (participates in β ladder)trans-108.3102.4179.4-61.8-178.7000109.2L362 F438 L634 V639 L651 I655 T661 F662 L663 T664L362-L636 WeakPolarHBondContact CD2-O 3.39Å; F438-L636 HydrophobicContact CB-CD2 3.87Å; F438-L636 HydrophobicContact CD1-CD2 4Å; F438-L636 HydrophobicContact CG-CD2 4.45Å; L634-L636 HydrophobicContact CD1-CD2 4.06Å; L634-L636 HydrophobicContact CD2-CD1 4.24Å; L634-L636 HydrophobicContact CD2-CD2 3.91Å; L634-L636 HydrophobicContact CD2-CG 4.07Å; L634-L636 HydrophobicContact CG-CD2 3.87Å; L634-L636 HydrophobicContact CG-CG 4.03Å; L636-V639 HydrophobicContact CB-CG1 4.16Å; L636-V639 HydrophobicContact CD2-CG1 4.17Å; L636-L651 HydrophobicContact CD1-CD2 4.26Å; L636-L651 HydrophobicContact CD1-CG 4.49Å; L636-L651 HydrophobicContact CD2-CD1 4.35Å; L636-I655 HydrophobicContact CD1-CD1 3.74Å; L636-T661 HydrophobicContact CD1-CG2 3.84Å; L636-T661 HydrophobicContact CG-CG2 4.12Å; L636-F662 PolarHBondContact N-O 2.99Å; L636-L663 HydrophobicContact CB-CB 4.4Å; L636-L663 HydrophobicContact CB-CD1 3.53Å; L636-L663 HydrophobicContact CD1-CD1 4.07Å; L636-L663 HydrophobicContact CG-CD1 4.46Å; L636-L663 WeakPolarHBondContact O-CA 3.31Å; L636-T664 PolarHBondContact O-N 2.73Å
637D93.6Very high86.7Confident11 Ų1134.3 Ų34.36%0.05918%0.184CC..EExtended strand (participates in β ladder)trans-98.7102.2-177.2-16833.4000111.7T359 L362 L437 F438 A439 P440 V639 T664T359-D637 WeakPolarHBondContact CB-OD2 3.4Å; T359-D637 WeakPolarHBondContact CG2-OD2 3.36Å; T359-D637 PolarHBondContact OG1-OD1 3Å; T359-D637 PolarHBondContact OG1-OD2 3.26Å; T359-D637 VanDerWaalsContact OG1-OD2 3.06Å; L362-D637 HydrophobicContact CD2-CB 3.87Å; L437-D637 HydrophobicContact CD1-CB 4.28Å; F438-D637 PolarHBondContact O-N 3.4Å; A439-D637 HydrophobicContact CB-CB 4.43Å; P440-D637 VanDerWaalsContact CD-O 3.31Å; P440-D637 WeakPolarHBondContact CD-O 3.35Å; D637-V639 PolarHBondContact O-N 3.07Å; D637-T664 VanDerWaalsContact CA-OG1 3.3Å; D637-T664 WeakPolarHBondContact CA-OG1 3.31Å; D637-T664 PolarHBondContact OD1-OG1 2.9Å
638D89.3Confident86.9Confident39 Ų3930.5 Ų30.521%0.20917%0.166CC..SBendtrans49.615.8177.3-155.122.6000115.9M640 S641 T664D638-M640 VanDerWaalsContact C-N 3.29Å; D638-M640 PolarHBondContact O-N 2.82Å; D638-S641 PolarHBondContact O-OG 3.26Å; D638-T664 PolarHBondContact N-O 2.77Å; D638-T664 PolarHBondContact N-OG1 3.02Å
639V87.9Confident87.1Confident0 Ų031 Ų310%017%0.167CC..G310 helixtrans-74-22-172.771.50000112.7F438 L636 D637 S641 E642 L651F438-V639 HydrophobicContact CD1-CB 4.31Å; F438-V639 HydrophobicContact CD1-CG1 3.84Å; F438-V639 HydrophobicContact CD1-CG2 3.79Å; F438-V639 HydrophobicContact CD2-CG2 4.23Å; F438-V639 HydrophobicContact CE1-CB 4.39Å; F438-V639 HydrophobicContact CE1-CG1 4.14Å; F438-V639 HydrophobicContact CE1-CG2 3.45Å; F438-V639 VanDerWaalsContact CE1-CG2 3.45Å; F438-V639 HydrophobicContact CE2-CG2 3.96Å; F438-V639 HydrophobicContact CG-CG1 4.43Å; F438-V639 HydrophobicContact CG-CG2 4.16Å; F438-V639 HydrophobicContact CZ-CG2 3.56Å; L636-V639 HydrophobicContact CB-CG1 4.16Å; L636-V639 HydrophobicContact CD2-CG1 4.17Å; D637-V639 PolarHBondContact O-N 3.07Å; V639-S641 PolarHBondContact O-N 2.76Å; V639-E642 PolarHBondContact O-N 3.41Å; V639-E642 VanDerWaalsContact O-N 3.11Å; V639-L651 HydrophobicContact CG1-CD2 4.46Å
640M86.8Confident87.6Confident0 Ų031 Ų310%016%0.16CC..G310 helixtrans-58.3-36.5179.1-65-62.6-76.300112D638 E642 L643 Q648 L651 L652 L663 H670 V671D638-M640 VanDerWaalsContact C-N 3.29Å; D638-M640 PolarHBondContact O-N 2.82Å; M640-E642 PolarHBondContact O-N 2.74Å; M640-L643 PolarHBondContact O-N 2.79Å; M640-Q648 HydrophobicContact CE-CB 3.83Å; M640-Q648 HydrophobicContact CE-CG 3.82Å; M640-Q648 PolarHBondContact O-NE2 2.79Å; M640-Q648 HydrophobicContact SD-CG 4.42Å; M640-L651 HydrophobicContact SD-CD2 3.51Å; M640-L651 VanDerWaalsContact SD-CD2 3.51Å; M640-L652 HydrophobicContact CE-CD1 3.93Å; M640-L652 HydrophobicContact CE-CD2 4.13Å; M640-L652 HydrophobicContact CE-CG 4.03Å; M640-L663 HydrophobicContact CG-CD1 3.68Å; M640-L663 HydrophobicContact CG-CD2 4.43Å; M640-H670 HydrophobicContact CB-CB 3.94Å; M640-H670 HydrophobicContact CE-CB 4.03Å; M640-H670 WeakPolarHBondContact CE-O 3.49Å; M640-H670 HydrophobicContact CG-CB 4.46Å; M640-V671 HydrophobicContact CE-CG2 4.47Å
641S85.3Confident88Confident61 Ų6128.8 Ų28.843%0.42715%0.149SC..G310 helixtrans-68.6-20.8-178.668.60000113.5D638 V639D638-S641 PolarHBondContact O-OG 3.26Å; V639-S641 PolarHBondContact O-N 2.76Å
642E84.2Confident87.9Confident70 Ų7027.9 Ų27.933%0.32715%0.146SC..G310 helixtrans-91.7-6.2-179.8-71.3-68.7166.300113.6P440 L443 R610 V639 M640P440-E642 HydrophobicContact CB-CG 4.42Å; L443-E642 HydrophobicContact CD1-CB 3.57Å; L443-E642 HydrophobicContact CD1-CG 4.09Å; R610-E642 IonicContact CZ-OE2 2.65Å; R610-E642 PolarHBondContact NH1-O 2.73Å; R610-E642 IonicContact NH1-OE2 3.27Å; R610-E642 IonicContact NH2-OE2 3.49Å; R610-E642 PolarHBondContact NH2-OE2 3.38Å; V639-E642 PolarHBondContact O-N 3.41Å; V639-E642 VanDerWaalsContact O-N 3.11Å; M640-E642 PolarHBondContact O-N 2.74Å
643L85.2Confident87.5Confident10 Ų1033.1 Ų33.15%0.05217%0.17CC..SBendtrans-106.7141.4-178.9-59.9178.9000110.4L614 M640 R647 Q648 L651L614-L643 HydrophobicContact CD1-CD1 4.3Å; L614-L643 HydrophobicContact CD2-CD2 4.36Å; M640-L643 PolarHBondContact O-N 2.79Å; L643-R647 HydrophobicContact CB-CB 4.06Å; L643-R647 HydrophobicContact CD2-CB 4.28Å; L643-Q648 HydrophobicContact CB-CG 3.83Å; L643-Q648 PolarHBondContact O-NE2 2.62Å; L643-L651 HydrophobicContact CD1-CD2 3.75Å
644D85.5Confident86.8Confident65 Ų6533.8 Ų33.835%0.34818%0.175SC..  trans-71.8167.4167.664.3101.9000111.1N646 R647 Q648D644-N646 VanDerWaalsContact C-N 3.28Å; D644-N646 PolarHBondContact O-N 2.89Å; D644-N646 WeakPolarHBondContact OD1-CB 3.3Å; D644-N646 PolarHBondContact OD1-N 3.43Å; D644-N646 VanDerWaalsContact OD1-N 3.12Å; D644-R647 PolarHBondContact O-N 3.12Å; D644-R647 VanDerWaalsContact O-N 3.14Å; D644-R647 PolarHBondContact OD1-N 3.4Å; D644-R647 WeakPolarHBondContact OD2-CD 3.44Å; D644-R647 WeakPolarHBondContact OD2-CG 3.46Å; D644-R647 IonicContact OD2-CZ 3.8Å; D644-R647 IonicContact OD2-NE 3.04Å; D644-R647 IonicContact OD2-NH1 2.69Å; D644-R647 PolarHBondContact OD2-NH1 3.17Å; D644-Q648 WeakPolarHBondContact O-CG 3.46Å; D644-Q648 PolarHBondContact O-N 3.15Å
645D85.2Confident86.2Confident108 Ų10834.1 Ų34.158%0.57818%0.176SC*.Hα-helixtrans-56-38.6-175-77-43.4000114.1Q648 I649 K674D645-Q648 PolarHBondContact O-N 2.94Å; D645-I649 VanDerWaalsContact O-CG1 3.27Å; D645-I649 WeakPolarHBondContact O-CG1 3.47Å; D645-I649 PolarHBondContact O-N 3Å; D645-K674 IonicContact OD1-NZ 3.42Å; D645-K674 PolarHBondContact OD1-NZ 2.7Å
646N83.2Confident85.4Confident69 Ų6935.6 Ų35.637%0.36918%0.183SC..Hα-helixtrans-68.8-43-179.4-169.252.5000111D644 I649 H650D644-N646 VanDerWaalsContact C-N 3.28Å; D644-N646 PolarHBondContact O-N 2.89Å; D644-N646 WeakPolarHBondContact OD1-CB 3.3Å; D644-N646 PolarHBondContact OD1-N 3.43Å; D644-N646 VanDerWaalsContact OD1-N 3.12Å; N646-I649 PolarHBondContact O-N 2.91Å; N646-H650 PolarHBondContact ND2-NE2 2.84Å; N646-H650 PolarHBondContact O-CD2 3.28Å; N646-H650 PolarHBondContact O-N 3.45Å; N646-H650 VanDerWaalsContact O-N 3.09Å
647R84.7Confident84.2Confident57 Ų5738 Ų3822%0.21520%0.196CC..Hα-helixtrans-66.1-36.8175.6-69.3-177.4-175.999.37.9112.4I536 G607 T611 L614 L643 D644 L651I536-R647 HydrophobicContact CG2-CG 4.35Å; G607-R647 PolarHBondContact O-NH2 2.87Å; T611-R647 PolarHBondContact OG1-NE 3.33Å; T611-R647 PolarHBondContact OG1-NH2 3.5Å; L614-R647 HydrophobicContact CD2-CB 4.03Å; L614-R647 HydrophobicContact CD2-CG 4.25Å; L643-R647 HydrophobicContact CB-CB 4.06Å; L643-R647 HydrophobicContact CD2-CB 4.28Å; D644-R647 PolarHBondContact O-N 3.12Å; D644-R647 VanDerWaalsContact O-N 3.14Å; D644-R647 PolarHBondContact OD1-N 3.4Å; D644-R647 WeakPolarHBondContact OD2-CD 3.44Å; D644-R647 WeakPolarHBondContact OD2-CG 3.46Å; D644-R647 IonicContact OD2-CZ 3.8Å; D644-R647 IonicContact OD2-NE 3.04Å; D644-R647 IonicContact OD2-NH1 2.69Å; D644-R647 PolarHBondContact OD2-NH1 3.17Å; R647-L651 WeakPolarHBondContact O-CB 3.4Å; R647-L651 PolarHBondContact O-N 2.9Å
648Q88Confident83.6Confident5 Ų539.4 Ų39.42%0.02320%0.201CC..Hα-helixtrans-61.9-43.6173.6-72173.712.400111.5M640 L643 D644 D645 L651 L652 H670M640-Q648 HydrophobicContact CE-CB 3.83Å; M640-Q648 HydrophobicContact CE-CG 3.82Å; M640-Q648 PolarHBondContact O-NE2 2.79Å; M640-Q648 HydrophobicContact SD-CG 4.42Å; L643-Q648 HydrophobicContact CB-CG 3.83Å; L643-Q648 PolarHBondContact O-NE2 2.62Å; D644-Q648 WeakPolarHBondContact O-CG 3.46Å; D644-Q648 PolarHBondContact O-N 3.15Å; D645-Q648 PolarHBondContact O-N 2.94Å; Q648-L651 PolarHBondContact O-N 2.97Å; Q648-L652 VanDerWaalsContact O-CG 3.3Å; Q648-L652 WeakPolarHBondContact O-CG 3.07Å; Q648-L652 PolarHBondContact O-N 3.24Å; Q648-H670 PolarHBondContact NE2-ND1 3.22Å
649I84.9Confident83.5Confident57 Ų5737.8 Ų37.829%0.29219%0.193SC..Hα-helixtrans-60.3-52.2177.4-70.2164.4000110D645 N646 L651 L652 E653 K674D645-I649 VanDerWaalsContact O-CG1 3.27Å; D645-I649 WeakPolarHBondContact O-CG1 3.47Å; D645-I649 PolarHBondContact O-N 3Å; N646-I649 PolarHBondContact O-N 2.91Å; I649-L651 VanDerWaalsContact C-N 3.3Å; I649-L651 PolarHBondContact O-N 2.85Å; I649-L652 PolarHBondContact O-N 3.45Å; I649-L652 VanDerWaalsContact O-N 3.11Å; I649-E653 HydrophobicContact CG2-CG 4.09Å; I649-E653 WeakPolarHBondContact CG2-OE1 3.11Å; I649-E653 WeakPolarHBondContact O-CB 3.46Å; I649-E653 WeakPolarHBondContact O-CG 3.46Å; I649-E653 PolarHBondContact O-N 2.87Å; I649-K674 HydrophobicContact CG1-CD 3.94Å; I649-K674 HydrophobicContact CG1-CG 4.42Å
650H82.3Confident83.6Confident24 Ų2438.1 Ų38.111%0.11120%0.195CC..Hα-helixtrans-62-36.3179.7-69.3-50.5000113.6I536 N646 E653 T654I536-H650 HydrophobicContact CG1-CB 4Å; N646-H650 PolarHBondContact ND2-NE2 2.84Å; N646-H650 PolarHBondContact O-CD2 3.28Å; N646-H650 PolarHBondContact O-N 3.45Å; N646-H650 VanDerWaalsContact O-N 3.09Å; H650-E653 IonicContact ND1-OE2 3.88Å; H650-E653 PolarHBondContact ND1-OE2 2.9Å; H650-T654 VanDerWaalsContact O-CB 3.31Å; H650-T654 WeakPolarHBondContact O-CB 3.33Å; H650-T654 PolarHBondContact O-N 2.83Å; H650-T654 PolarHBondContact O-OG1 3.46Å
651L86.2Confident83.9Confident0 Ų038.3 Ų38.30%020%0.196CC..Hα-helixtrans-60-49.9173.2171.865000110.5L614 L618 L636 V639 M640 L643 R647 Q648 I649 T654 I655L614-L651 HydrophobicContact CD1-CD1 4.32Å; L618-L651 HydrophobicContact CD1-CD1 3.78Å; L618-L651 HydrophobicContact CD2-CD1 3.49Å; L618-L651 VanDerWaalsContact CD2-CD1 3.49Å; L618-L651 HydrophobicContact CG-CD1 4.12Å; L636-L651 HydrophobicContact CD1-CD2 4.26Å; L636-L651 HydrophobicContact CD1-CG 4.49Å; L636-L651 HydrophobicContact CD2-CD1 4.35Å; V639-L651 HydrophobicContact CG1-CD2 4.46Å; M640-L651 HydrophobicContact SD-CD2 3.51Å; M640-L651 VanDerWaalsContact SD-CD2 3.51Å; L643-L651 HydrophobicContact CD1-CD2 3.75Å; R647-L651 WeakPolarHBondContact O-CB 3.4Å; R647-L651 PolarHBondContact O-N 2.9Å; Q648-L651 PolarHBondContact O-N 2.97Å; I649-L651 VanDerWaalsContact C-N 3.3Å; I649-L651 PolarHBondContact O-N 2.85Å; L651-T654 PolarHBondContact O-N 2.88Å; L651-I655 HydrophobicContact CD1-CG2 4.38Å; L651-I655 WeakPolarHBondContact O-CG1 3.21Å; L651-I655 VanDerWaalsContact O-CG2 3.3Å; L651-I655 WeakPolarHBondContact O-CG2 3.44Å; L651-I655 PolarHBondContact O-N 2.82Å
652L85.1Confident84.4Confident1 Ų135.4 Ų35.41%0.00518%0.175CC..Hα-helixtrans-65.3-44.1-179.8-66.8175.1000112.1M640 Q648 I649 T654 I655 E656 K674 M675M640-L652 HydrophobicContact CE-CD1 3.93Å; M640-L652 HydrophobicContact CE-CD2 4.13Å; M640-L652 HydrophobicContact CE-CG 4.03Å; Q648-L652 VanDerWaalsContact O-CG 3.3Å; Q648-L652 WeakPolarHBondContact O-CG 3.07Å; Q648-L652 PolarHBondContact O-N 3.24Å; I649-L652 PolarHBondContact O-N 3.45Å; I649-L652 VanDerWaalsContact O-N 3.11Å; L652-T654 VanDerWaalsContact C-N 3.26Å; L652-T654 PolarHBondContact O-N 2.89Å; L652-I655 HydrophobicContact CD2-CD1 4.15Å; L652-I655 WeakPolarHBondContact O-CG1 3.48Å; L652-I655 PolarHBondContact O-N 2.89Å; L652-E656 WeakPolarHBondContact O-CB 3.32Å; L652-E656 PolarHBondContact O-N 2.88Å; L652-K674 HydrophobicContact CD1-CB 3.58Å; L652-K674 HydrophobicContact CD1-CD 4.21Å; L652-M675 HydrophobicContact CB-CG 4.32Å; L652-M675 HydrophobicContact CD1-CG 4.01Å; L652-M675 HydrophobicContact CD1-SD 4.47Å; L652-M675 HydrophobicContact CD2-CG 4.3Å; L652-M675 HydrophobicContact CD2-SD 3.87Å; L652-M675 HydrophobicContact CG-CG 4.44Å
653E81Confident84.8Confident112 Ų11232.1 Ų32.152%0.52316%0.16SC..Hα-helixtrans-61.2-34.1176-72.3174.7161.500112.6I649 H650 I655I649-E653 HydrophobicContact CG2-CG 4.09Å; I649-E653 WeakPolarHBondContact CG2-OE1 3.11Å; I649-E653 WeakPolarHBondContact O-CB 3.46Å; I649-E653 WeakPolarHBondContact O-CG 3.46Å; I649-E653 PolarHBondContact O-N 2.87Å; H650-E653 IonicContact ND1-OE2 3.88Å; H650-E653 PolarHBondContact ND1-OE2 2.9Å; E653-I655 VanDerWaalsContact C-N 3.34Å
654T79.5Confident85.3Confident20 Ų2031.6 Ų31.612%0.12316%0.157CC..Hα-helixtrans-71.9-31.3-179.5-58.80000111.9L532 L618 H650 L651 L652 K658L532-T654 HydrophobicContact CD1-CG2 4.24Å; L618-T654 HydrophobicContact CD1-CG2 4.45Å; H650-T654 VanDerWaalsContact O-CB 3.31Å; H650-T654 WeakPolarHBondContact O-CB 3.33Å; H650-T654 PolarHBondContact O-N 2.83Å; H650-T654 PolarHBondContact O-OG1 3.46Å; L651-T654 PolarHBondContact O-N 2.88Å; L652-T654 VanDerWaalsContact C-N 3.26Å; L652-T654 PolarHBondContact O-N 2.89Å; T654-K658 WeakPolarHBondContact O-CD 3.3Å
655I83.4Confident85.6Confident7 Ų728.5 Ų28.54%0.03614%0.141CC..Hα-helixtrans-102.6-21.7-171.171.2-177.6000112.5L618 I621 L634 L636 L651 L652 E653 N657 K658 V659 T661L618-I655 HydrophobicContact CD2-CG2 4.31Å; I621-I655 HydrophobicContact CD1-CG2 4.18Å; L634-I655 HydrophobicContact CD2-CB 3.91Å; L634-I655 HydrophobicContact CD2-CD1 4.11Å; L634-I655 HydrophobicContact CD2-CG2 3.24Å; L636-I655 HydrophobicContact CD1-CD1 3.74Å; L651-I655 HydrophobicContact CD1-CG2 4.38Å; L651-I655 WeakPolarHBondContact O-CG1 3.21Å; L651-I655 VanDerWaalsContact O-CG2 3.3Å; L651-I655 WeakPolarHBondContact O-CG2 3.44Å; L651-I655 PolarHBondContact O-N 2.82Å; L652-I655 HydrophobicContact CD2-CD1 4.15Å; L652-I655 WeakPolarHBondContact O-CG1 3.48Å; L652-I655 PolarHBondContact O-N 2.89Å; E653-I655 VanDerWaalsContact C-N 3.34Å; I655-N657 PolarHBondContact O-N 3.21Å; I655-K658 PolarHBondContact O-N 2.91Å; I655-V659 HydrophobicContact CB-CG2 3.9Å; I655-V659 HydrophobicContact CG2-CG2 4.37Å; I655-V659 PolarHBondContact O-N 2.87Å; I655-T661 HydrophobicContact CD1-CG2 3.96Å
656E77Confident85.8Confident32 Ų3226.4 Ų26.415%0.1513%0.132CC..THydrogen-bonded Turntrans-57.9130.3179.1177.2158.5-134.900110.7L652 K658 T676 V677L652-E656 WeakPolarHBondContact O-CB 3.32Å; L652-E656 PolarHBondContact O-N 2.88Å; E656-K658 PolarHBondContact O-N 2.94Å; E656-T676 VanDerWaalsContact OE1-CA 3.23Å; E656-T676 WeakPolarHBondContact OE1-CA 3.47Å; E656-T676 VanDerWaalsContact OE1-CB 3.31Å; E656-T676 WeakPolarHBondContact OE1-CB 3.29Å; E656-T676 PolarHBondContact OE1-N 2.9Å; E656-T676 PolarHBondContact OE1-OG1 2.84Å; E656-V677 HydrophobicContact CG-CG1 4.09Å; E656-V677 HydrophobicContact CG-CG2 4.35Å; E656-V677 PolarHBondContact OE1-N 2.93Å
657N70.4Confident86.1Confident51 Ų5125.1 Ų25.127%0.27313%0.126SC..THydrogen-bonded Turntrans63.6-17.3-175.8-61.1-47.1000117.4E298 R346 I655 V677E298-N657 WeakPolarHBondContact OE1-CB 3.25Å; R346-N657 PolarHBondContact NH1-O 2.97Å; I655-N657 PolarHBondContact O-N 3.21Å; N657-V677 WeakPolarHBondContact OD1-CG1 3.5Å
658K79.8Confident86.2Confident39 Ų3924.5 Ų24.517%0.1713%0.127CC..THydrogen-bonded Turntrans-82.1-49.4-177.3-66.8-170-172.8-179.70115E298 T654 I655 E656E298-K658 WeakPolarHBondContact OE1-CA 3.47Å; E298-K658 WeakPolarHBondContact OE1-CG 3.44Å; E298-K658 PolarHBondContact OE1-N 2.91Å; E298-K658 VanDerWaalsContact OE1-N 3.16Å; E298-K658 WeakPolarHBondContact OE2-CA 3.46Å; T654-K658 WeakPolarHBondContact O-CD 3.3Å; I655-K658 PolarHBondContact O-N 2.91Å; E656-K658 PolarHBondContact O-N 2.94Å
659V87.1Confident86.1Confident5 Ų530 Ų303%0.0316%0.157CC..SBendtrans-128.5143.6-166.9-57.30000111.6I621 Y631 L634 I655 T661I621-V659 HydrophobicContact CG2-CG1 3.56Å; Y631-V659 HydrophobicContact CD1-CG1 4.05Å; Y631-V659 HydrophobicContact CG-CG1 4.14Å; L634-V659 HydrophobicContact CB-CG2 3.82Å; L634-V659 HydrophobicContact CD2-CG2 4.11Å; I655-V659 HydrophobicContact CB-CG2 3.9Å; I655-V659 HydrophobicContact CG2-CG2 4.37Å; I655-V659 PolarHBondContact O-N 2.87Å; V659-T661 PolarHBondContact O-N 3.3Å; V659-T661 PolarHBondContact O-OG1 2.75Å
660Q91.1Very high85.8Confident8 Ų829 Ų294%0.03715%0.151CC..  trans-66.2121.4166.7-172.2-177.933.700108.2L325 R346 I633 L634 F662L325-Q660 PolarHBondContact O-NE2 3.2Å; R346-Q660 CarbonylContact O-C 3.57Å; R346-Q660 WeakPolarHBondContact O-CA 3.3Å; R346-Q660 WeakPolarHBondContact O-CG 3.47Å; I633-Q660 WeakPolarHBondContact CA-O 3.28Å; I633-Q660 HydrophobicContact CG1-CB 4.4Å; L634-Q660 PolarHBondContact N-O 3.41Å; Q660-F662 HydrophobicContact CG-CE2 3.73Å; Q660-F662 HydrophobicContact CG-CZ 4.22Å
661T92.9Very high85.7Confident3 Ų328.2 Ų28.22%0.01815%0.148CC..EExtended strand (participates in β ladder)trans-118.5130.8-173.6-59.20000111R346 L347 N348 L634 L636 I655 V659R346-T661 PolarHBondContact O-N 3.31Å; L347-T661 HydrophobicContact CD1-CG2 3.91Å; N348-T661 PolarHBondContact N-O 2.71Å; L634-T661 HydrophobicContact CB-CG2 4.49Å; L634-T661 HydrophobicContact CD2-CG2 4.32Å; L634-T661 HydrophobicContact CG-CG2 4.5Å; L634-T661 CarbonylContact O-C 3.59Å; L634-T661 VanDerWaalsContact O-CA 3.27Å; L634-T661 WeakPolarHBondContact O-CA 3.44Å; L636-T661 HydrophobicContact CD1-CG2 3.84Å; L636-T661 HydrophobicContact CG-CG2 4.12Å; I655-T661 HydrophobicContact CD1-CG2 3.96Å; V659-T661 PolarHBondContact O-N 3.3Å; V659-T661 PolarHBondContact O-OG1 2.75Å
662F94.9Very high85.3Confident0 Ų036.1 Ų36.10%018%0.182CC..EExtended strand (participates in β ladder)trans-110.7111.5169.6-62.1-102.7000108.4L325 F343 N348 F350 L362 I365 I633 L634 L635 L636 Q660L325-F662 HydrophobicContact CB-CZ 4.43Å; L325-F662 HydrophobicContact CD2-CZ 3.99Å; F343-F662 HydrophobicContact CB-CE1 4.49Å; F343-F662 HydrophobicContact CB-CZ 4.41Å; F343-F662 AromaticContact CD1-CE1 3.67Å; F343-F662 HydrophobicContact CD1-CE1 3.67Å; F343-F662 HydrophobicContact CD1-CZ 4.37Å; F343-F662 AromaticContact CD2-CE1 3.65Å; F343-F662 HydrophobicContact CD2-CE1 3.65Å; F343-F662 AromaticContact CD2-CZ 3.74Å; F343-F662 HydrophobicContact CD2-CZ 3.74Å; F343-F662 HydrophobicContact CE1-CD1 4.4Å; F343-F662 AromaticContact CE1-CE1 3.67Å; F343-F662 HydrophobicContact CE1-CE1 3.67Å; F343-F662 AromaticContact CE2-CE1 3.62Å; F343-F662 HydrophobicContact CE2-CE1 3.62Å; F343-F662 HydrophobicContact CE2-CZ 4.03Å; F343-F662 AromaticContact CG-CE1 3.66Å; F343-F662 HydrophobicContact CG-CE1 3.66Å; F343-F662 AromaticContact CG-CZ 3.91Å; F343-F662 HydrophobicContact CG-CZ 3.91Å; F343-F662 HydrophobicContact CZ-CD1 4.46Å; F343-F662 AromaticContact CZ-CE1 3.64Å; F343-F662 HydrophobicContact CZ-CE1 3.64Å; F343-F662 HydrophobicContact CZ-CZ 4.49Å; N348-F662 HydrophobicContact CB-CD1 3.9Å; N348-F662 HydrophobicContact CB-CE1 4.11Å; N348-F662 HydrophobicContact CB-CG 4.44Å; N348-F662 CarbonylContact O-C 3.58Å; N348-F662 WeakPolarHBondContact O-CA 3.47Å; F350-F662 HydrophobicContact CE2-CB 4.29Å; F350-F662 AromaticContact CE2-CD1 3.75Å; F350-F662 HydrophobicContact CE2-CD1 3.75Å; F350-F662 HydrophobicContact CZ-CD1 4.16Å; L362-F662 HydrophobicContact CD1-CB 4.17Å; L362-F662 HydrophobicContact CG-CB 4.39Å; I365-F662 HydrophobicContact CD1-CD1 3.66Å; I365-F662 HydrophobicContact CD1-CD2 4.26Å; I365-F662 HydrophobicContact CD1-CE1 3.91Å; I365-F662 HydrophobicContact CD1-CE2 4.45Å; I365-F662 HydrophobicContact CD1-CG 3.89Å; I365-F662 HydrophobicContact CD1-CZ 4.31Å; I633-F662 HydrophobicContact CD1-CE2 4.41Å; I633-F662 HydrophobicContact CG2-CD2 3.46Å; I633-F662 VanDerWaalsContact CG2-CD2 3.46Å; I633-F662 HydrophobicContact CG2-CE2 3.46Å; I633-F662 VanDerWaalsContact CG2-CE2 3.46Å; L634-F662 PolarHBondContact O-N 3.31Å; L635-F662 WeakPolarHBondContact CA-O 3.43Å; L635-F662 HydrophobicContact CD2-CB 3.77Å; L635-F662 HydrophobicContact CD2-CD2 3.77Å; L635-F662 HydrophobicContact CD2-CG 3.99Å; L636-F662 PolarHBondContact N-O 2.99Å; Q660-F662 HydrophobicContact CG-CE2 3.73Å; Q660-F662 HydrophobicContact CG-CZ 4.22Å
663L94.1Very high84.9Confident1 Ų140 Ų401%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-112.4126.3-175.2171.964.6000110.5N348 I349 F350 L636 M640 V671N348-L663 PolarHBondContact O-N 2.8Å; I349-L663 CarbonylContact C-O 3.54Å; I349-L663 WeakPolarHBondContact CA-O 3.49Å; I349-L663 HydrophobicContact CG1-CB 4.49Å; I349-L663 HydrophobicContact CG1-CD2 4.33Å; F350-L663 PolarHBondContact N-O 2.78Å; L636-L663 HydrophobicContact CB-CB 4.4Å; L636-L663 HydrophobicContact CB-CD1 3.53Å; L636-L663 HydrophobicContact CD1-CD1 4.07Å; L636-L663 HydrophobicContact CG-CD1 4.46Å; L636-L663 WeakPolarHBondContact O-CA 3.31Å; M640-L663 HydrophobicContact CG-CD1 3.68Å; M640-L663 HydrophobicContact CG-CD2 4.43Å; L663-V671 HydrophobicContact CD2-CG2 3.63Å
664T94.2Very high84.7Confident0 Ų036.8 Ų36.80%021%0.206CC..EExtended strand (participates in β ladder)trans-97.9138.3167.868.80000110.2F350 K358 L362 L636 D637 D638F350-T664 HydrophobicContact CB-CG2 4.27Å; F350-T664 WeakPolarHBondContact O-CA 3.47Å; K358-T664 HydrophobicContact CB-CG2 3.72Å; L362-T664 HydrophobicContact CD1-CG2 3.36Å; L362-T664 HydrophobicContact CD2-CG2 3.57Å; L362-T664 HydrophobicContact CG-CG2 4.01Å; L636-T664 PolarHBondContact O-N 2.73Å; D637-T664 VanDerWaalsContact CA-OG1 3.3Å; D637-T664 WeakPolarHBondContact CA-OG1 3.31Å; D637-T664 PolarHBondContact OD1-OG1 2.9Å; D638-T664 PolarHBondContact N-O 2.77Å; D638-T664 PolarHBondContact N-OG1 3.02Å
665T92.3Very high84.4Confident0 Ų037.8 Ų37.80%021%0.21CC..EExtended strand (participates in β ladder)trans-155.7163.3173.6-1690000111.8I349 F350 L351 G352 K358 T667I349-T665 HydrophobicContact CG2-CG2 4.03Å; F350-T665 PolarHBondContact O-N 3Å; L351-T665 WeakPolarHBondContact CA-O 3.34Å; L351-T665 HydrophobicContact CD1-CG2 3.89Å; G352-T665 PolarHBondContact N-O 2.74Å; K358-T665 WeakPolarHBondContact CE-O 3.16Å; T665-T667 VanDerWaalsContact CG2-O 3.3Å; T665-T667 WeakPolarHBondContact CG2-O 3.42Å; T665-T667 PolarHBondContact OG1-N 2.98Å; T665-T667 PolarHBondContact OG1-O 3.14Å; T665-T667 VanDerWaalsContact OG1-O 3.11Å
666T90.5Very high83.8Confident64 Ų6442.7 Ų42.739%0.39324%0.241SC..SBendtrans-92.7-17171.456.50000112.6L351 N354L351-T666 VanDerWaalsContact CD1-C 3.49Å; N354-T666 VanDerWaalsContact OD1-CG2 3.3Å; N354-T666 WeakPolarHBondContact OD1-CG2 3.09Å
667T89.4Confident83.5Confident41 Ų4143 Ų4325%0.25225%0.245SC..  trans-148.1141.4-177.7-179.60000112.1T665 N669 H670T665-T667 VanDerWaalsContact CG2-O 3.3Å; T665-T667 WeakPolarHBondContact CG2-O 3.42Å; T665-T667 PolarHBondContact OG1-N 2.98Å; T665-T667 PolarHBondContact OG1-O 3.14Å; T665-T667 VanDerWaalsContact OG1-O 3.11Å; T667-N669 HydrophobicContact CG2-CB 4.18Å; T667-N669 PolarHBondContact O-N 2.71Å; T667-N669 PolarHBondContact OG1-N 3.19Å; T667-N669 PolarHBondContact OG1-ND2 3.03Å; T667-H670 WeakPolarHBondContact CG2-CD2 3.37Å
668L86.8Confident83.8Confident44 Ų4448.2 Ų48.223%0.2327%0.267CS..G310 helixtrans-73.2-9173.7-64.3173.7000112.9I349 L351 H670 V671 K672 I681I349-L668 HydrophobicContact CG2-CD2 3.99Å; L351-L668 HydrophobicContact CD1-CD2 4.38Å; L351-L668 HydrophobicContact CD1-CG 4.22Å; L351-L668 HydrophobicContact CD2-CD1 4.17Å; L351-L668 HydrophobicContact CD2-CD2 4.43Å; L351-L668 HydrophobicContact CD2-CG 3.96Å; L668-H670 PolarHBondContact O-N 2.86Å; L668-V671 PolarHBondContact O-N 3.21Å; L668-K672 WeakPolarHBondContact O-CB 3.39Å; L668-K672 PolarHBondContact O-N 3.09Å; L668-I681 HydrophobicContact CD1-CD1 3.85Å; L668-I681 HydrophobicContact CD2-CD1 4.03Å
669N85.6Confident84Confident120 Ų12047.5 Ų47.564%0.64227%0.266SS*.G310 helixtrans-58.9-30.2-178-70.3-13.8000113.4T667 V671T667-N669 HydrophobicContact CG2-CB 4.18Å; T667-N669 PolarHBondContact O-N 2.71Å; T667-N669 PolarHBondContact OG1-N 3.19Å; T667-N669 PolarHBondContact OG1-ND2 3.03Å; N669-V671 PolarHBondContact O-N 2.81Å
670H78.6Confident84.1Confident38 Ų3847.4 Ų47.418%0.17627%0.266CS..G310 helixtrans-68.4-16.8178-66-65000113.8M640 Q648 T667 L668 K674M640-H670 HydrophobicContact CB-CB 3.94Å; M640-H670 HydrophobicContact CE-CB 4.03Å; M640-H670 WeakPolarHBondContact CE-O 3.49Å; M640-H670 HydrophobicContact CG-CB 4.46Å; Q648-H670 PolarHBondContact NE2-ND1 3.22Å; T667-H670 WeakPolarHBondContact CG2-CD2 3.37Å; L668-H670 PolarHBondContact O-N 2.86Å; H670-K674 WeakPolarHBondContact O-CD 3.27Å
671V79.2Confident84.1Confident7 Ų747.2 Ų47.24%0.04227%0.265CS..THydrogen-bonded Turntrans-120.8-33.2-169-179.10000111.2I349 M640 L663 L668 N669 G673 K674 M675I349-V671 HydrophobicContact CD1-CG1 3.93Å; M640-V671 HydrophobicContact CE-CG2 4.47Å; L663-V671 HydrophobicContact CD2-CG2 3.63Å; L668-V671 PolarHBondContact O-N 3.21Å; N669-V671 PolarHBondContact O-N 2.81Å; V671-G673 PolarHBondContact O-N 2.99Å; V671-K674 PolarHBondContact O-N 2.82Å; V671-M675 HydrophobicContact CG1-CE 3.06Å; V671-M675 HydrophobicContact CG1-CG 4.16Å; V671-M675 HydrophobicContact CG1-SD 3.46Å; V671-M675 WeakPolarHBondContact CG1-SD 3.37Å
672K78.4Confident84.1Confident166 Ų16647.1 Ų47.172%0.72226%0.264SS*.THydrogen-bonded Turntrans-58.1120.1-175.1-170.4176.4-176.7178.30111.3L668 K674L668-K672 WeakPolarHBondContact O-CB 3.39Å; L668-K672 PolarHBondContact O-N 3.09Å; K672-K674 VanDerWaalsContact C-N 3.28Å; K672-K674 PolarHBondContact O-N 3.48Å
673G76Confident84.1Confident82 Ų8251.4 Ų51.485%0.84528%0.281SS*.THydrogen-bonded Turntrans77.67.8179.400000114.8V671V671-G673 PolarHBondContact O-N 2.99Å
674K78Confident84Confident44 Ų4451.5 Ų51.519%0.19128%0.282CS..SBendtrans-1094.1178-56.8-171.6-173.7-174.40113.7D645 I649 L652 H670 V671 K672D645-K674 IonicContact OD1-NZ 3.42Å; D645-K674 PolarHBondContact OD1-NZ 2.7Å; I649-K674 HydrophobicContact CG1-CD 3.94Å; I649-K674 HydrophobicContact CG1-CG 4.42Å; L652-K674 HydrophobicContact CD1-CB 3.58Å; L652-K674 HydrophobicContact CD1-CD 4.21Å; H670-K674 WeakPolarHBondContact O-CD 3.27Å; V671-K674 PolarHBondContact O-N 2.82Å; K672-K674 VanDerWaalsContact C-N 3.28Å; K672-K674 PolarHBondContact O-N 3.48Å
675M72.6Confident83.8Confident41 Ų4156.8 Ų56.820%0.20231%0.306CS..  trans-138.1153.1-179.4-55-177.6-43.900111L347 I349 L652 V671 V677 P679L347-M675 HydrophobicContact CD2-CE 3.15Å; L347-M675 HydrophobicContact CD2-SD 3.23Å; L347-M675 WeakPolarHBondContact CD2-SD 3.31Å; I349-M675 HydrophobicContact CD1-CE 4.49Å; L652-M675 HydrophobicContact CB-CG 4.32Å; L652-M675 HydrophobicContact CD1-CG 4.01Å; L652-M675 HydrophobicContact CD1-SD 4.47Å; L652-M675 HydrophobicContact CD2-CG 4.3Å; L652-M675 HydrophobicContact CD2-SD 3.87Å; L652-M675 HydrophobicContact CG-CG 4.44Å; V671-M675 HydrophobicContact CG1-CE 3.06Å; V671-M675 HydrophobicContact CG1-CG 4.16Å; V671-M675 HydrophobicContact CG1-SD 3.46Å; V671-M675 WeakPolarHBondContact CG1-SD 3.37Å; M675-V677 HydrophobicContact CB-CG2 4.45Å; M675-P679 HydrophobicContact CE-CB 4.48Å; M675-P679 HydrophobicContact CE-CG 4.26Å
676T70.3Confident83.5Confident111 Ų11163.9 Ų63.968%0.68134%0.339SS*.SBendtrans-94.5-25.4173.371.50000113.1E656E656-T676 VanDerWaalsContact OE1-CA 3.23Å; E656-T676 WeakPolarHBondContact OE1-CA 3.47Å; E656-T676 VanDerWaalsContact OE1-CB 3.31Å; E656-T676 WeakPolarHBondContact OE1-CB 3.29Å; E656-T676 PolarHBondContact OE1-N 2.9Å; E656-T676 PolarHBondContact OE1-OG1 2.84Å
677V71.9Confident83Confident38 Ų3861.2 Ų61.223%0.2333%0.325CS..SBendtrans-82.2146.6179.9-65.40000113.5L347 E656 N657 M675 P679L347-V677 HydrophobicContact CB-CG2 4.43Å; L347-V677 HydrophobicContact CD2-CG2 3.91Å; E656-V677 HydrophobicContact CG-CG1 4.09Å; E656-V677 HydrophobicContact CG-CG2 4.35Å; E656-V677 PolarHBondContact OE1-N 2.93Å; N657-V677 WeakPolarHBondContact OD1-CG1 3.5Å; M675-V677 HydrophobicContact CB-CG2 4.45Å; V677-P679 VanDerWaalsContact O-CD 3.29Å; V677-P679 WeakPolarHBondContact O-CD 3.36Å
678H76.1Confident82.8Confident161 Ų16166 Ų6675%0.74534%0.344SS*.  trans-79.5115.3172.4-72.5-71000110.4
679P85Confident83Confident23 Ų2365 Ų6515%0.14934%0.339CS..  trans-81.5149.5176.132.1-33.1000111.8L347 I349 M675 V677 I681L347-P679 HydrophobicContact CB-CB 4.39Å; L347-P679 HydrophobicContact CD2-CB 3.83Å; L347-P679 HydrophobicContact CG-CB 3.89Å; L347-P679 WeakPolarHBondContact O-CA 3.37Å; I349-P679 HydrophobicContact CD1-CB 3.53Å; I349-P679 HydrophobicContact CD1-CG 3.87Å; I349-P679 HydrophobicContact CG1-CB 3.9Å; M675-P679 HydrophobicContact CE-CB 4.48Å; M675-P679 HydrophobicContact CE-CG 4.26Å; V677-P679 VanDerWaalsContact O-CD 3.29Å; V677-P679 WeakPolarHBondContact O-CD 3.36Å; P679-I681 HydrophobicContact CG-CG1 4.3Å
680D88.3Confident83.2Confident4 Ų465.1 Ų65.12%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-78.5128.9156.6-82.8-41.8000109.8N345 L347 I349 F682 R691N345-D680 VanDerWaalsContact CB-OD2 3.3Å; N345-D680 WeakPolarHBondContact CB-OD2 3.49Å; N345-D680 PolarHBondContact N-OD2 3.41Å; N345-D680 PolarHBondContact ND2-OD1 3.18Å; N345-D680 PolarHBondContact ND2-OD2 2.97Å; L347-D680 PolarHBondContact O-N 2.86Å; I349-D680 PolarHBondContact N-O 2.69Å; D680-F682 HydrophobicContact CB-CD2 4.35Å; D680-F682 HydrophobicContact CB-CE2 3.61Å; D680-F682 HydrophobicContact CB-CZ 4.17Å; D680-R691 VanDerWaalsContact CG-NH2 3.3Å; D680-R691 IonicContact OD1-CZ 3.03Å; D680-R691 VanDerWaalsContact OD1-CZ 3.27Å; D680-R691 IonicContact OD1-NE 2.7Å; D680-R691 PolarHBondContact OD1-NE 2.8Å; D680-R691 IonicContact OD1-NH2 3.27Å; D680-R691 PolarHBondContact OD1-NH2 3.01Å; D680-R691 IonicContact OD2-CZ 2.89Å; D680-R691 IonicContact OD2-NE 3.84Å; D680-R691 IonicContact OD2-NH2 3.46Å; D680-R691 PolarHBondContact OD2-NH2 2.8Å
681I91.1Very high83.6Confident3 Ų367.8 Ų67.82%0.01534%0.344CS..EExtended strand (participates in β ladder)trans-109.5122.9179-54.1-177.6000109.9I349 L351 L668 P679 Y683 K692 M694I349-I681 WeakPolarHBondContact O-CA 3.14Å; L351-I681 HydrophobicContact CB-CG2 4.4Å; L668-I681 HydrophobicContact CD1-CD1 3.85Å; L668-I681 HydrophobicContact CD2-CD1 4.03Å; P679-I681 HydrophobicContact CG-CG1 4.3Å; I681-Y683 HydrophobicContact CG2-CD2 4.25Å; I681-Y683 HydrophobicContact CG2-CE2 3.72Å; I681-K692 PolarHBondContact O-N 2.94Å; I681-M694 HydrophobicContact CD1-CG 3.81Å; I681-M694 HydrophobicContact CD1-SD 3.66Å
682F93.7Very high83.3Confident2 Ų272.6 Ų72.61%0.00937%0.365CS..EExtended strand (participates in β ladder)trans-112.2118.4178.9-65-87.9000109.5L341 F343 N348 I349 F350 L351 D680 I689 E690 R691L341-F682 HydrophobicContact CD2-CD1 4.26Å; L341-F682 HydrophobicContact CD2-CE1 4.22Å; F343-F682 HydrophobicContact CD1-CE2 4.22Å; F343-F682 AromaticContact CD1-CZ 3.94Å; F343-F682 HydrophobicContact CD1-CZ 3.94Å; F343-F682 HydrophobicContact CE1-CE2 4.46Å; F343-F682 HydrophobicContact CE1-CZ 4.17Å; N348-F682 HydrophobicContact CB-CD2 4.46Å; N348-F682 HydrophobicContact CB-CE2 4.03Å; N348-F682 WeakPolarHBondContact OD1-CE2 3.3Å; I349-F682 PolarHBondContact O-N 2.86Å; F350-F682 CarbonylContact C-O 3.59Å; F350-F682 WeakPolarHBondContact CA-O 3.36Å; F350-F682 HydrophobicContact CD1-CB 3.41Å; F350-F682 VanDerWaalsContact CD1-CB 3.41Å; F350-F682 HydrophobicContact CD1-CD2 4.28Å; F350-F682 AromaticContact CD1-CG 4Å; F350-F682 HydrophobicContact CD1-CG 4Å; F350-F682 HydrophobicContact CE1-CB 3.51Å; F350-F682 HydrophobicContact CE1-CD1 4.18Å; F350-F682 AromaticContact CE1-CD2 3.71Å; F350-F682 HydrophobicContact CE1-CD2 3.71Å; F350-F682 HydrophobicContact CE1-CE2 4.45Å; F350-F682 AromaticContact CE1-CG 3.54Å; F350-F682 HydrophobicContact CE1-CG 3.54Å; F350-F682 HydrophobicContact CE2-CD2 4.43Å; F350-F682 HydrophobicContact CG-CB 4.26Å; F350-F682 HydrophobicContact CZ-CB 4.43Å; F350-F682 AromaticContact CZ-CD2 3.81Å; F350-F682 HydrophobicContact CZ-CD2 3.81Å; F350-F682 HydrophobicContact CZ-CE2 4.25Å; F350-F682 HydrophobicContact CZ-CG 4.13Å; L351-F682 PolarHBondContact N-O 3.07Å; D680-F682 HydrophobicContact CB-CD2 4.35Å; D680-F682 HydrophobicContact CB-CE2 3.61Å; D680-F682 HydrophobicContact CB-CZ 4.17Å; F682-I689 HydrophobicContact CB-CG2 3.68Å; F682-I689 HydrophobicContact CD1-CG2 3.85Å; F682-I689 HydrophobicContact CG-CG2 4.19Å; F682-E690 CarbonylContact C-O 3.59Å; F682-E690 WeakPolarHBondContact CA-O 3.2Å; F682-R691 HydrophobicContact CD1-CB 3.83Å; F682-R691 HydrophobicContact CD1-CG 4.13Å; F682-R691 HydrophobicContact CE1-CB 3.74Å; F682-R691 HydrophobicContact CE1-CG 3.77Å; F682-R691 HydrophobicContact CZ-CG 4.16Å
683Y93.6Very high82.3Confident89 Ų8972 Ų7235%0.34936%0.364SS..EExtended strand (participates in β ladder)trans-87.5123.7176.9-70.9-98.1000109.7L351 I681 I689 E690 K692L351-Y683 HydrophobicContact CD2-CD1 4.21Å; L351-Y683 HydrophobicContact CD2-CE1 3.67Å; L351-Y683 CarbonylContact O-C 3.47Å; L351-Y683 WeakPolarHBondContact O-CA 3.5Å; I681-Y683 HydrophobicContact CG2-CD2 4.25Å; I681-Y683 HydrophobicContact CG2-CE2 3.72Å; Y683-I689 VanDerWaalsContact O-CA 3.3Å; Y683-I689 WeakPolarHBondContact O-CA 3.4Å; Y683-E690 PolarHBondContact N-O 3.34Å; Y683-E690 PolarHBondContact O-N 3.21Å; Y683-K692 HydrophobicContact CD2-CB 4.28Å; Y683-K692 HydrophobicContact CD2-CD 3.96Å; Y683-K692 HydrophobicContact CD2-CG 4.07Å; Y683-K692 HydrophobicContact CE2-CB 3.93Å; Y683-K692 HydrophobicContact CE2-CD 3.68Å; Y683-K692 HydrophobicContact CE2-CG 4.02Å
684V92.3Very high81.3Confident4 Ų477.7 Ų77.72%0.02437%0.371CS..EExtended strand (participates in β ladder)trans-108.5119.1-176.5-172.20000110.2F350 L351 Q356 K358 Q688 I689F350-V684 HydrophobicContact CB-CG2 3.98Å; F350-V684 HydrophobicContact CD1-CG2 4.07Å; L351-V684 PolarHBondContact O-N 3.37Å; Q356-V684 HydrophobicContact CB-CG1 4.14Å; K358-V684 HydrophobicContact CG-CB 3.96Å; K358-V684 HydrophobicContact CG-CG1 4.11Å; K358-V684 HydrophobicContact CG-CG2 4.05Å; V684-Q688 WeakPolarHBondContact CA-O 3.3Å; V684-I689 HydrophobicContact CG1-CG1 4.23Å; V684-I689 HydrophobicContact CG2-CD1 4.14Å; V684-I689 HydrophobicContact CG2-CG1 4.04Å
685H90.8Very high81.4Confident110 Ų11079.4 Ų79.451%0.50938%0.38SS..EExtended strand (participates in β ladder)trans-142.6122.1177.3-16974.8000110.5G687 Q688H685-G687 VanDerWaalsContact C-N 3.28Å; H685-G687 PolarHBondContact O-N 3.11Å; H685-Q688 PolarHBondContact N-O 3.36Å; H685-Q688 WeakPolarHBondContact O-CA 3.39Å; H685-Q688 WeakPolarHBondContact O-CB 3.48Å; H685-Q688 PolarHBondContact O-N 3.45Å
686Q85.2Confident81.9Confident149 Ų14981.4 Ų81.470%0.69639%0.39SS*.THydrogen-bonded Turntrans5041.6177.9-62.4-173.4-14.400114.3Q688Q686-Q688 PolarHBondContact O-N 2.89Å
687G79.4Confident82.5Confident9 Ų979.7 Ų79.79%0.09337%0.374CS..THydrogen-bonded Turntrans747.1-177.300000114.7Y336 Q356 H685Y336-G687 WeakPolarHBondContact CD1-O 3.44Å; Y336-G687 WeakPolarHBondContact CE1-O 3.4Å; Q356-G687 PolarHBondContact O-N 3.15Å; H685-G687 VanDerWaalsContact C-N 3.28Å; H685-G687 PolarHBondContact O-N 3.11Å
688Q86.1Confident83.2Confident140 Ų14082.2 Ų82.265%0.65438%0.382SS*.EExtended strand (participates in β ladder)trans-101.9146.9169-61-176.2-12.600110V684 H685 Q686V684-Q688 WeakPolarHBondContact CA-O 3.3Å; H685-Q688 PolarHBondContact N-O 3.36Å; H685-Q688 WeakPolarHBondContact O-CA 3.39Å; H685-Q688 WeakPolarHBondContact O-CB 3.48Å; H685-Q688 PolarHBondContact O-N 3.45Å; Q686-Q688 PolarHBondContact O-N 2.89Å
689I91.6Very high83.6Confident24 Ų2477.3 Ų77.312%0.12336%0.359CS..EExtended strand (participates in β ladder)trans-130.5123.7-177.3-57-172.7000109.4Y336 L339 L341 F350 L361 F682 Y683 V684Y336-I689 HydrophobicContact CE1-CD1 4.03Å; Y336-I689 HydrophobicContact CE1-CG1 4.26Å; L339-I689 HydrophobicContact CD1-CB 4.1Å; L339-I689 HydrophobicContact CD1-CD1 4.19Å; L339-I689 HydrophobicContact CD1-CG1 4.13Å; L339-I689 HydrophobicContact CD2-CD1 3.94Å; L341-I689 HydrophobicContact CD1-CD1 3.96Å; L341-I689 HydrophobicContact CD1-CG2 4.4Å; L341-I689 HydrophobicContact CD2-CB 4.16Å; L341-I689 HydrophobicContact CD2-CG2 3.9Å; F350-I689 HydrophobicContact CD1-CD1 4.33Å; F350-I689 HydrophobicContact CD1-CG2 4.49Å; F350-I689 HydrophobicContact CE1-CD1 4.42Å; F350-I689 HydrophobicContact CE1-CG2 4.44Å; L361-I689 HydrophobicContact CD1-CD1 4.23Å; L361-I689 HydrophobicContact CD2-CD1 3.72Å; L361-I689 HydrophobicContact CG-CD1 4.48Å; F682-I689 HydrophobicContact CB-CG2 3.68Å; F682-I689 HydrophobicContact CD1-CG2 3.85Å; F682-I689 HydrophobicContact CG-CG2 4.19Å; Y683-I689 VanDerWaalsContact O-CA 3.3Å; Y683-I689 WeakPolarHBondContact O-CA 3.4Å; V684-I689 HydrophobicContact CG1-CG1 4.23Å; V684-I689 HydrophobicContact CG2-CD1 4.14Å; V684-I689 HydrophobicContact CG2-CG1 4.04Å
690E88.5Confident83.5Confident123 Ų12380.9 Ų80.958%0.57537%0.373SS*.EExtended strand (participates in β ladder)trans-114.6124.9175.2-66.8-176.2173.800110.3F682 Y683F682-E690 CarbonylContact C-O 3.59Å; F682-E690 WeakPolarHBondContact CA-O 3.2Å; Y683-E690 PolarHBondContact N-O 3.34Å; Y683-E690 PolarHBondContact O-N 3.21Å
691R86.9Confident83.2Confident93 Ų9386.4 Ų86.435%0.35140%0.398SS..EExtended strand (participates in β ladder)trans-80.9131.8173.1-172.6176.3174.1-151.7-8.8109.8D680 F682 E693D680-R691 VanDerWaalsContact CG-NH2 3.3Å; D680-R691 IonicContact OD1-CZ 3.03Å; D680-R691 VanDerWaalsContact OD1-CZ 3.27Å; D680-R691 IonicContact OD1-NE 2.7Å; D680-R691 PolarHBondContact OD1-NE 2.8Å; D680-R691 IonicContact OD1-NH2 3.27Å; D680-R691 PolarHBondContact OD1-NH2 3.01Å; D680-R691 IonicContact OD2-CZ 2.89Å; D680-R691 IonicContact OD2-NE 3.84Å; D680-R691 IonicContact OD2-NH2 3.46Å; D680-R691 PolarHBondContact OD2-NH2 2.8Å; F682-R691 HydrophobicContact CD1-CB 3.83Å; F682-R691 HydrophobicContact CD1-CG 4.13Å; F682-R691 HydrophobicContact CE1-CB 3.74Å; F682-R691 HydrophobicContact CE1-CG 3.77Å; F682-R691 HydrophobicContact CZ-CG 4.16Å; R691-E693 IonicContact NH2-OE1 3.76Å
692K73.5Confident82.6Confident109 Ų10992.8 Ų92.847%0.47443%0.428SS..EExtended strand (participates in β ladder)trans-124.1127.4166.2-68.7-174.2179.6170.80109.1I681 Y683I681-K692 PolarHBondContact O-N 2.94Å; Y683-K692 HydrophobicContact CD2-CB 4.28Å; Y683-K692 HydrophobicContact CD2-CD 3.96Å; Y683-K692 HydrophobicContact CD2-CG 4.07Å; Y683-K692 HydrophobicContact CE2-CB 3.93Å; Y683-K692 HydrophobicContact CE2-CD 3.68Å; Y683-K692 HydrophobicContact CE2-CG 4.02Å
693E58.3Low81.6Confident153 Ų153100.3 Ų100.372%0.71546%0.463SS*.  trans-74.4140.8166.9-65.2179.7169.400108.9R691R691-E693 IonicContact NH2-OE1 3.76Å
694M53.5Low80.6Confident201 Ų201101.4 Ų101.499%0.9947%0.473SS*.  trans-84.40174.7-94.3-162.470.200112.5I681I681-M694 HydrophobicContact CD1-CG 3.81Å; I681-M694 HydrophobicContact CD1-SD 3.66Å

Retrieved 694 of 694 residues in 1883 ms (Link to these results)

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