A0A060W1V8_ONCMY Loading...

WD40 repeat-containing protein SMU1

AlphaFold DB , UniProt , Accession A0A060W1V8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110505068, Length 513 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
1M39.2Very low64Low239 Ų239110.5 Ų110.5100%1.17761%0.608SS**  01020-85.4-177.5-114.500107.3L3M1-L3 PolarHBondContact O-N 3.3Å
2S41.7Very low65Low106 Ų106108.7 Ų108.774%0.74159%0.585SS**  trans-66.9110.1164.839.50000107E4S2-E4 PolarHBondContact O-N 3.04Å; S2-E4 VanDerWaalsContact O-N 3.08Å
3L50.6Low65.9Low158 Ų158102.7 Ų102.783%0.82755%0.552SS**  trans-67.7102165.3-96.2126000106.6M1 V5M1-L3 PolarHBondContact O-N 3.3Å; L3-V5 PolarHBondContact O-N 3.44Å; L3-V5 VanDerWaalsContact O-N 3.16Å
4E53.7Low66.7Low177 Ų177100.1 Ų100.183%0.82754%0.537SS*.  trans-72.2102.9167.4-70.7-179.1176.200107S2S2-E4 PolarHBondContact O-N 3.04Å; S2-E4 VanDerWaalsContact O-N 3.08Å
5V66.9Low67.5Low100 Ų10093.4 Ų93.461%0.60650%0.501SS*.  trans-84.6120.3171.9-177.90000107L3 S7 V10L3-V5 PolarHBondContact O-N 3.44Å; L3-V5 VanDerWaalsContact O-N 3.16Å; V5-S7 PolarHBondContact O-N 3.27Å; V5-V10 HydrophobicContact CG1-CG2 3.64Å
6E75.3Confident68.1Low132 Ų13289 Ų8962%0.61748%0.477SS*.  trans-62.7131.8174.8-69.6-171.4175.100110.3A8 D9 V10E6-A8 PolarHBondContact O-N 3.49Å; E6-D9 PolarHBondContact O-N 3.25Å; E6-V10 PolarHBondContact O-N 3.36Å
7S74.4Confident68.8Low93 Ų9386.7 Ų86.765%0.6546%0.46SS*.Hα-helixtrans-58.5-32.1178.4520000112.1V5 D9 V10 I11V5-S7 PolarHBondContact O-N 3.27Å; S7-D9 VanDerWaalsContact C-N 3.32Å; S7-D9 PolarHBondContact O-N 2.93Å; S7-V10 PolarHBondContact O-N 2.89Å; S7-I11 WeakPolarHBondContact O-CD1 3.45Å; S7-I11 VanDerWaalsContact O-CG1 3.25Å; S7-I11 WeakPolarHBondContact O-CG1 3.36Å; S7-I11 PolarHBondContact O-N 3.24Å
8A74.5Confident69.4Low25 Ų2582.7 Ų82.721%0.20744%0.439CS..Hα-helixtrans-60.5-38.9175.800000112.6E6 I11 R12E6-A8 PolarHBondContact O-N 3.49Å; A8-I11 PolarHBondContact O-N 2.89Å; A8-R12 VanDerWaalsContact O-CG 3.29Å; A8-R12 WeakPolarHBondContact O-CG 3.24Å; A8-R12 PolarHBondContact O-N 3.3Å
9D74.3Confident69.8Low80 Ų8082.7 Ų82.743%0.42844%0.435SS..Hα-helixtrans-73-34.3-179.3-76.8-13.4000112.2E6 S7 R12 L13E6-D9 PolarHBondContact O-N 3.25Å; S7-D9 VanDerWaalsContact C-N 3.32Å; S7-D9 PolarHBondContact O-N 2.93Å; D9-R12 PolarHBondContact O-N 2.99Å; D9-R12 IonicContact OD1-NH1 3.67Å; D9-R12 PolarHBondContact OD1-NH1 3.3Å; D9-L13 WeakPolarHBondContact O-CB 3.38Å; D9-L13 PolarHBondContact O-N 3.49Å
10V74.9Confident70.1Confident67 Ų6782.1 Ų82.141%0.40643%0.429SS..Hα-helixtrans-64.8-43.5172.3-176.70000110.5V5 E6 S7 L13 I14V5-V10 HydrophobicContact CG1-CG2 3.64Å; E6-V10 PolarHBondContact O-N 3.36Å; S7-V10 PolarHBondContact O-N 2.89Å; V10-L13 WeakPolarHBondContact O-CB 3.5Å; V10-L13 PolarHBondContact O-N 3.48Å; V10-I14 HydrophobicContact CG1-CD1 4.15Å; V10-I14 WeakPolarHBondContact O-CG1 3.47Å; V10-I14 PolarHBondContact O-N 2.88Å
11I78.6Confident70.6Confident39 Ų3981.7 Ų81.720%0.243%0.428CS..Hα-helixtrans-62.6-45178-69164.9000110.6S7 A8 L13 I14 M15 L30 T34 V36S7-I11 WeakPolarHBondContact O-CD1 3.45Å; S7-I11 VanDerWaalsContact O-CG1 3.25Å; S7-I11 WeakPolarHBondContact O-CG1 3.36Å; S7-I11 PolarHBondContact O-N 3.24Å; A8-I11 PolarHBondContact O-N 2.89Å; I11-L13 VanDerWaalsContact C-N 3.29Å; I11-L13 PolarHBondContact O-N 3.24Å; I11-I14 PolarHBondContact O-N 3.31Å; I11-M15 HydrophobicContact CG2-CE 3.45Å; I11-M15 VanDerWaalsContact CG2-CE 3.45Å; I11-M15 HydrophobicContact CG2-CG 4.49Å; I11-M15 HydrophobicContact CG2-SD 4.13Å; I11-M15 WeakPolarHBondContact O-CG 3.42Å; I11-M15 PolarHBondContact O-N 3.41Å; I11-L30 HydrophobicContact CG2-CD2 4.23Å; I11-T34 HydrophobicContact CD1-CG2 4.08Å; I11-T34 HydrophobicContact CG1-CG2 4.49Å; I11-T34 HydrophobicContact CG2-CG2 4.12Å; I11-V36 HydrophobicContact CG2-CB 4.11Å; I11-V36 HydrophobicContact CG2-CG1 4.34Å; I11-V36 HydrophobicContact CG2-CG2 4.38Å
12R76.5Confident72.5Confident88 Ų8876 Ų7633%0.33240%0.402SS..Hα-helixtrans-59.7-39.5174.8-72.9169.1179.5159.4-4.7112.1A8 D9 I14 M15 Q16 V36 L38A8-R12 VanDerWaalsContact O-CG 3.29Å; A8-R12 WeakPolarHBondContact O-CG 3.24Å; A8-R12 PolarHBondContact O-N 3.3Å; D9-R12 PolarHBondContact O-N 2.99Å; D9-R12 IonicContact OD1-NH1 3.67Å; D9-R12 PolarHBondContact OD1-NH1 3.3Å; R12-I14 PolarHBondContact O-N 3.2Å; R12-M15 PolarHBondContact O-N 3.44Å; R12-Q16 WeakPolarHBondContact O-CB 3.18Å; R12-Q16 PolarHBondContact O-N 3.02Å; R12-V36 HydrophobicContact CG-CG1 3.95Å; R12-L38 HydrophobicContact CB-CD1 4.24Å; R12-L38 WeakPolarHBondContact O-CD1 3.33Å
13L76.4Confident74.4Confident31 Ų3174.8 Ų74.816%0.16239%0.387CS..Hα-helixtrans-62.9-41.4176.7-15986.3000111.8D9 V10 I11 Y17 V156 R160 L161 L164D9-L13 WeakPolarHBondContact O-CB 3.38Å; D9-L13 PolarHBondContact O-N 3.49Å; V10-L13 WeakPolarHBondContact O-CB 3.5Å; V10-L13 PolarHBondContact O-N 3.48Å; I11-L13 VanDerWaalsContact C-N 3.29Å; I11-L13 PolarHBondContact O-N 3.24Å; L13-Y17 PolarHBondContact O-N 3.49Å; L13-Y17 VanDerWaalsContact O-N 3.13Å; L13-V156 HydrophobicContact CD1-CG1 4.39Å; L13-R160 HydrophobicContact CD1-CB 3.99Å; L13-R160 HydrophobicContact CD1-CG 3.89Å; L13-L161 HydrophobicContact CB-CD1 4.28Å; L13-L161 HydrophobicContact CD2-CB 3.82Å; L13-L161 HydrophobicContact CD2-CD1 3.71Å; L13-L161 HydrophobicContact CD2-CG 3.78Å; L13-L161 HydrophobicContact CG-CB 3.86Å; L13-L161 HydrophobicContact CG-CD1 3.86Å; L13-L161 HydrophobicContact CG-CG 4.18Å; L13-L164 HydrophobicContact CD1-CD1 4.32Å; L13-L164 HydrophobicContact CD2-CD1 3.97Å
14I77.6Confident75.7Confident66 Ų6673 Ų7334%0.33837%0.374SS..Hα-helixtrans-68.4-44.8176.6-66165.8000110.6V10 I11 R12 Q16 Y17 L18 L30 L161V10-I14 HydrophobicContact CG1-CD1 4.15Å; V10-I14 WeakPolarHBondContact O-CG1 3.47Å; V10-I14 PolarHBondContact O-N 2.88Å; I11-I14 PolarHBondContact O-N 3.31Å; R12-I14 PolarHBondContact O-N 3.2Å; I14-Q16 VanDerWaalsContact C-N 3.29Å; I14-Q16 PolarHBondContact O-N 3.01Å; I14-Y17 WeakPolarHBondContact O-CB 3.25Å; I14-Y17 PolarHBondContact O-N 3.04Å; I14-Y17 VanDerWaalsContact O-N 3.17Å; I14-L18 HydrophobicContact CG2-CD1 4.24Å; I14-L18 HydrophobicContact CG2-CG 4.48Å; I14-L18 WeakPolarHBondContact O-CG 3.49Å; I14-L18 PolarHBondContact O-N 2.9Å; I14-L30 HydrophobicContact CG2-CD2 4.37Å; I14-L161 HydrophobicContact CG1-CD1 4.01Å
15M78.6Confident77.1Confident0 Ų075 Ų750%037%0.374CS..Hα-helixtrans-57.8-42.3175.5-74.8177.3-177.300111.8I11 R12 L18 K19 L27 L30 Q31 T34 V36 L38I11-M15 HydrophobicContact CG2-CE 3.45Å; I11-M15 VanDerWaalsContact CG2-CE 3.45Å; I11-M15 HydrophobicContact CG2-CG 4.49Å; I11-M15 HydrophobicContact CG2-SD 4.13Å; I11-M15 WeakPolarHBondContact O-CG 3.42Å; I11-M15 PolarHBondContact O-N 3.41Å; R12-M15 PolarHBondContact O-N 3.44Å; M15-L18 PolarHBondContact O-N 3.34Å; M15-K19 PolarHBondContact O-N 3.4Å; M15-L27 WeakPolarHBondContact O-CD1 3.28Å; M15-L30 HydrophobicContact CE-CD2 3.48Å; M15-L30 VanDerWaalsContact CE-CD2 3.48Å; M15-L30 HydrophobicContact CE-CG 4.2Å; M15-L30 HydrophobicContact CG-CD2 3.29Å; M15-L30 HydrophobicContact SD-CD2 4.26Å; M15-Q31 HydrophobicContact CE-CB 4.27Å; M15-Q31 HydrophobicContact CE-CG 3.65Å; M15-Q31 HydrophobicContact SD-CG 3.83Å; M15-T34 VanDerWaalsContact CE-OG1 3.24Å; M15-T34 WeakPolarHBondContact CE-OG1 3.3Å; M15-V36 HydrophobicContact CE-CB 4.2Å; M15-V36 WeakPolarHBondContact CE-O 3.34Å; M15-L38 HydrophobicContact CB-CB 4.1Å; M15-L38 HydrophobicContact CB-CD1 3.84Å; M15-L38 HydrophobicContact CB-CD2 4.25Å; M15-L38 HydrophobicContact CB-CG 4.28Å; M15-L38 HydrophobicContact SD-CB 4.01Å
16Q77.3Confident77.9Confident23 Ų2373.4 Ų73.411%0.10737%0.365CS..Hα-helixtrans-62.3-43.9175.8-176.365.816.700111.6R12 I14 L18 K19 E20 L38 T40 V156R12-Q16 WeakPolarHBondContact O-CB 3.18Å; R12-Q16 PolarHBondContact O-N 3.02Å; I14-Q16 VanDerWaalsContact C-N 3.29Å; I14-Q16 PolarHBondContact O-N 3.01Å; Q16-L18 VanDerWaalsContact C-N 3.33Å; Q16-L18 PolarHBondContact O-N 3Å; Q16-K19 WeakPolarHBondContact O-CB 3.48Å; Q16-K19 PolarHBondContact O-N 3.3Å; Q16-E20 WeakPolarHBondContact O-CG 3.33Å; Q16-E20 PolarHBondContact O-N 3.24Å; Q16-L38 HydrophobicContact CB-CD1 4.43Å; Q16-T40 PolarHBondContact OE1-OG1 2.93Å; Q16-V156 HydrophobicContact CB-CB 4.44Å; Q16-V156 HydrophobicContact CB-CG1 4.06Å; Q16-V156 HydrophobicContact CG-CB 4.14Å; Q16-V156 HydrophobicContact CG-CG1 3.86Å
17Y78.9Confident78.2Confident50 Ų5068.2 Ų68.220%0.19634%0.341CS..Hα-helixtrans-61.4-40.3175.5176.3-97.4000112.4L13 I14 K19 E20 N21 L161 M162 F187L13-Y17 PolarHBondContact O-N 3.49Å; L13-Y17 VanDerWaalsContact O-N 3.13Å; I14-Y17 WeakPolarHBondContact O-CB 3.25Å; I14-Y17 PolarHBondContact O-N 3.04Å; I14-Y17 VanDerWaalsContact O-N 3.17Å; Y17-K19 VanDerWaalsContact C-N 3.33Å; Y17-E20 PolarHBondContact O-N 3.24Å; Y17-N21 WeakPolarHBondContact CD2-ND2 3.23Å; Y17-N21 WeakPolarHBondContact CE1-ND2 3.48Å; Y17-N21 WeakPolarHBondContact CE2-ND2 3.48Å; Y17-N21 PolarHBondContact O-N 3.01Å; Y17-N21 VanDerWaalsContact O-N 3.15Å; Y17-N21 PolarHBondContact O-ND2 2.99Å; Y17-L161 HydrophobicContact CD2-CD2 4.16Å; Y17-L161 HydrophobicContact CG-CD2 4.24Å; Y17-M162 HydrophobicContact CD2-CE 4.1Å; Y17-M162 HydrophobicContact CE2-CE 3.62Å; Y17-M162 HydrophobicContact CE2-CG 4.33Å; Y17-M162 HydrophobicContact CE2-SD 4.12Å; Y17-F187 HydrophobicContact CE1-CE1 4.12Å; Y17-F187 AromaticContact CE1-CZ 3.94Å; Y17-F187 HydrophobicContact CE1-CZ 3.94Å; Y17-F187 HydrophobicContact CE2-CZ 4.21Å; Y17-F187 AromaticContact CZ-CZ 3.53Å; Y17-F187 WeakPolarHBondContact OH-CZ 3.42Å
18L79.6Confident78.5Confident15 Ų1566.8 Ų66.88%0.07933%0.329CS..Hα-helixtrans-64.7-38.2175.6-67.5172.9000111.8I14 M15 Q16 N21 N22 L23 T26 L27 L30I14-L18 HydrophobicContact CG2-CD1 4.24Å; I14-L18 HydrophobicContact CG2-CG 4.48Å; I14-L18 WeakPolarHBondContact O-CG 3.49Å; I14-L18 PolarHBondContact O-N 2.9Å; M15-L18 PolarHBondContact O-N 3.34Å; Q16-L18 VanDerWaalsContact C-N 3.33Å; Q16-L18 PolarHBondContact O-N 3Å; L18-N21 PolarHBondContact O-N 3.39Å; L18-N22 PolarHBondContact O-N 2.74Å; L18-L23 HydrophobicContact CB-CB 4.39Å; L18-L23 HydrophobicContact CD2-CB 3.97Å; L18-L23 HydrophobicContact CD2-CD1 3.72Å; L18-L23 PolarHBondContact O-N 2.81Å; L18-T26 HydrophobicContact CD1-CG2 4Å; L18-T26 HydrophobicContact CD2-CG2 4.1Å; L18-L27 HydrophobicContact CB-CB 4.13Å; L18-L27 HydrophobicContact CB-CD1 4.43Å; L18-L27 HydrophobicContact CD1-CB 4.47Å; L18-L30 HydrophobicContact CD1-CD2 4.46Å
19K76.6Confident79Confident82 Ų8268.3 Ų68.336%0.35734%0.335SS..Hα-helixtrans-62.7-47.7174.5-169.7175.9176.3178.80111.1M15 Q16 Y17 N21 N22 L27 L38 T40M15-K19 PolarHBondContact O-N 3.4Å; Q16-K19 WeakPolarHBondContact O-CB 3.48Å; Q16-K19 PolarHBondContact O-N 3.3Å; Y17-K19 VanDerWaalsContact C-N 3.33Å; K19-N21 VanDerWaalsContact C-N 3.28Å; K19-N21 PolarHBondContact O-N 3.29Å; K19-N22 PolarHBondContact O-N 3.17Å; K19-L27 HydrophobicContact CB-CD1 3.76Å; K19-L27 HydrophobicContact CG-CD1 4.44Å; K19-L38 HydrophobicContact CD-CD2 3.92Å; K19-T40 PolarHBondContact NZ-OG1 3.23Å
20E77.6Confident79.5Confident70 Ų7066.4 Ų66.433%0.32733%0.325SS..Hα-helixtrans-60.4-34.4178.4-73.8174.6-173.400113.3Q16 Y17 P158 S159Q16-E20 WeakPolarHBondContact O-CG 3.33Å; Q16-E20 PolarHBondContact O-N 3.24Å; Y17-E20 PolarHBondContact O-N 3.24Å; E20-P158 WeakPolarHBondContact OE1-CA 3.49Å; E20-P158 WeakPolarHBondContact OE1-CB 3.39Å; E20-S159 PolarHBondContact OE1-N 2.98Å; E20-S159 PolarHBondContact OE2-N 2.93Å
21N79.8Confident79.9Confident74 Ų7464.6 Ų64.640%0.39631%0.312SS..THydrogen-bonded Turntrans-92.511.4-179.7-67.3-70.5000114.1Y17 L18 K19 L23Y17-N21 WeakPolarHBondContact CD2-ND2 3.23Å; Y17-N21 WeakPolarHBondContact CE1-ND2 3.48Å; Y17-N21 WeakPolarHBondContact CE2-ND2 3.48Å; Y17-N21 PolarHBondContact O-N 3.01Å; Y17-N21 VanDerWaalsContact O-N 3.15Å; Y17-N21 PolarHBondContact O-ND2 2.99Å; L18-N21 PolarHBondContact O-N 3.39Å; K19-N21 VanDerWaalsContact C-N 3.28Å; K19-N21 PolarHBondContact O-N 3.29Å; N21-L23 HydrophobicContact CB-CD1 4.17Å; N21-L23 HydrophobicContact CB-CG 4.16Å; N21-L23 PolarHBondContact O-N 3.32Å
22N79Confident80.1Confident120 Ų12069.1 Ų69.164%0.64233%0.332SS*.THydrogen-bonded Turntrans58.627.9-179.2-60.8-59.6000114.7L18 K19 H24L18-N22 PolarHBondContact O-N 2.74Å; K19-N22 PolarHBondContact O-N 3.17Å; N22-H24 VanDerWaalsContact C-N 3.31Å; N22-H24 VanDerWaalsContact C-ND1 3.34Å; N22-H24 PolarHBondContact O-N 3.01Å; N22-H24 VanDerWaalsContact O-N 3.11Å; N22-H24 PolarHBondContact O-ND1 3.32Å
23L81.5Confident80.6Confident81 Ų8172.7 Ų72.742%0.42435%0.353SS..  trans-89.262.8-180-63.5174.5000111.5L18 N21 R25 T26 L27L18-L23 HydrophobicContact CB-CB 4.39Å; L18-L23 HydrophobicContact CD2-CB 3.97Å; L18-L23 HydrophobicContact CD2-CD1 3.72Å; L18-L23 PolarHBondContact O-N 2.81Å; N21-L23 HydrophobicContact CB-CD1 4.17Å; N21-L23 HydrophobicContact CB-CG 4.16Å; N21-L23 PolarHBondContact O-N 3.32Å; L23-R25 PolarHBondContact O-N 3.17Å; L23-T26 PolarHBondContact O-N 3.2Å; L23-L27 PolarHBondContact O-N 3.25Å; L23-L27 VanDerWaalsContact O-N 3.12Å
24H78.5Confident80.7Confident121 Ų12173 Ų7356%0.5636%0.356SS*.Hα-helixtrans-60-42.3-170.9-63.379.3000113.6N22 T26 L27 T28N22-H24 VanDerWaalsContact C-N 3.31Å; N22-H24 VanDerWaalsContact C-ND1 3.34Å; N22-H24 PolarHBondContact O-N 3.01Å; N22-H24 VanDerWaalsContact O-N 3.11Å; N22-H24 PolarHBondContact O-ND1 3.32Å; H24-T26 PolarHBondContact O-N 3.32Å; H24-L27 PolarHBondContact O-N 3.44Å; H24-T28 PolarHBondContact O-N 3.35Å; H24-T28 PolarHBondContact O-OG1 2.94Å; H24-T28 VanDerWaalsContact O-OG1 3.04Å
25R82.9Confident80.9Confident217 Ų21776 Ų7682%0.81938%0.378SS*.Hα-helixtrans-61.6-46.6-178.9-174.5177.8-180179.90.3111.8L23 L27 T28 T29L23-R25 PolarHBondContact O-N 3.17Å; R25-L27 VanDerWaalsContact C-N 3.3Å; R25-L27 PolarHBondContact O-N 3.24Å; R25-T28 PolarHBondContact O-N 3Å; R25-T29 WeakPolarHBondContact O-CG2 3.39Å; R25-T29 PolarHBondContact O-N 3.29Å; R25-T29 PolarHBondContact O-OG1 3.14Å
26T83.4Confident80.8Confident67 Ų6777.3 Ų77.341%0.41139%0.386SS..Hα-helixtrans-67.3-35-179.6-42.10000111.4L18 L23 H24 T29 L30L18-T26 HydrophobicContact CD1-CG2 4Å; L18-T26 HydrophobicContact CD2-CG2 4.1Å; L23-T26 PolarHBondContact O-N 3.2Å; H24-T26 PolarHBondContact O-N 3.32Å; T26-T29 WeakPolarHBondContact CA-OG1 3.38Å; T26-T29 PolarHBondContact O-OG1 2.64Å; T26-L30 WeakPolarHBondContact O-CB 3.49Å; T26-L30 PolarHBondContact O-N 3.21Å
27L81.9Confident80.5Confident24 Ų2478.5 Ų78.513%0.12640%0.397CS..Hα-helixtrans-64.2-46.5174.9-178.4153.1000111.2M15 L18 K19 L23 H24 R25 L30 Q31M15-L27 WeakPolarHBondContact O-CD1 3.28Å; L18-L27 HydrophobicContact CB-CB 4.13Å; L18-L27 HydrophobicContact CB-CD1 4.43Å; L18-L27 HydrophobicContact CD1-CB 4.47Å; K19-L27 HydrophobicContact CB-CD1 3.76Å; K19-L27 HydrophobicContact CG-CD1 4.44Å; L23-L27 PolarHBondContact O-N 3.25Å; L23-L27 VanDerWaalsContact O-N 3.12Å; H24-L27 PolarHBondContact O-N 3.44Å; R25-L27 VanDerWaalsContact C-N 3.3Å; R25-L27 PolarHBondContact O-N 3.24Å; L27-L30 PolarHBondContact O-N 2.97Å; L27-Q31 HydrophobicContact CD2-CG 4.31Å; L27-Q31 WeakPolarHBondContact O-CG 3.44Å; L27-Q31 PolarHBondContact O-N 3.35Å
28T80.7Confident80.2Confident63 Ų6376.6 Ų76.639%0.38739%0.389SS..Hα-helixtrans-63.1-47178.9-51.40000111.6H24 R25 L30 Q31 E32H24-T28 PolarHBondContact O-N 3.35Å; H24-T28 PolarHBondContact O-OG1 2.94Å; H24-T28 VanDerWaalsContact O-OG1 3.04Å; R25-T28 PolarHBondContact O-N 3Å; T28-L30 VanDerWaalsContact C-N 3.3Å; T28-L30 PolarHBondContact O-N 3.41Å; T28-Q31 PolarHBondContact O-N 3.26Å; T28-E32 WeakPolarHBondContact O-CG 3.44Å; T28-E32 PolarHBondContact O-N 2.96Å
29T85.1Confident79.9Confident56 Ų5676.5 Ų76.534%0.34439%0.389SS..Hα-helixtrans-61.3-41.2177.952.80000111.7R25 T26 Q31 E32 E33R25-T29 WeakPolarHBondContact O-CG2 3.39Å; R25-T29 PolarHBondContact O-N 3.29Å; R25-T29 PolarHBondContact O-OG1 3.14Å; T26-T29 WeakPolarHBondContact CA-OG1 3.38Å; T26-T29 PolarHBondContact O-OG1 2.64Å; T29-Q31 PolarHBondContact O-N 3.48Å; T29-E32 PolarHBondContact O-N 3.34Å; T29-E33 WeakPolarHBondContact O-CB 3.45Å; T29-E33 WeakPolarHBondContact O-CG 3.46Å; T29-E33 PolarHBondContact O-N 3.45Å
30L84.4Confident79.6Confident40 Ų4073.1 Ų73.121%0.20938%0.375CS..Hα-helixtrans-66.5-38.4179.2-167.3111.1000111.3I11 I14 M15 L18 T26 L27 T28 E33 T34I11-L30 HydrophobicContact CG2-CD2 4.23Å; I14-L30 HydrophobicContact CG2-CD2 4.37Å; M15-L30 HydrophobicContact CE-CD2 3.48Å; M15-L30 VanDerWaalsContact CE-CD2 3.48Å; M15-L30 HydrophobicContact CE-CG 4.2Å; M15-L30 HydrophobicContact CG-CD2 3.29Å; M15-L30 HydrophobicContact SD-CD2 4.26Å; L18-L30 HydrophobicContact CD1-CD2 4.46Å; T26-L30 WeakPolarHBondContact O-CB 3.49Å; T26-L30 PolarHBondContact O-N 3.21Å; L27-L30 PolarHBondContact O-N 2.97Å; T28-L30 VanDerWaalsContact C-N 3.3Å; T28-L30 PolarHBondContact O-N 3.41Å; L30-E33 PolarHBondContact O-N 3.22Å; L30-T34 HydrophobicContact CG-CG2 4.33Å; L30-T34 WeakPolarHBondContact O-CB 3.39Å; L30-T34 WeakPolarHBondContact O-CG2 3.32Å; L30-T34 PolarHBondContact O-N 3.11Å; L30-T34 PolarHBondContact O-OG1 3.43Å
31Q83Confident79.3Confident30 Ų3070.8 Ų70.814%0.1437%0.366CS..Hα-helixtrans-65.6-37.6174.1-74.7-177.1-7.100113.1M15 L27 T28 T29 T35M15-Q31 HydrophobicContact CE-CB 4.27Å; M15-Q31 HydrophobicContact CE-CG 3.65Å; M15-Q31 HydrophobicContact SD-CG 3.83Å; L27-Q31 HydrophobicContact CD2-CG 4.31Å; L27-Q31 WeakPolarHBondContact O-CG 3.44Å; L27-Q31 PolarHBondContact O-N 3.35Å; T28-Q31 PolarHBondContact O-N 3.26Å; T29-Q31 PolarHBondContact O-N 3.48Å; Q31-T35 WeakPolarHBondContact O-CA 3.33Å; Q31-T35 PolarHBondContact O-N 2.9Å; Q31-T35 VanDerWaalsContact O-N 3.1Å
32E83.4Confident78.8Confident134 Ų13475 Ų7563%0.62639%0.389SS*.Hα-helixtrans-67.4-42.9176.5-72.9172.1-177.400111.5T28 T29T28-E32 WeakPolarHBondContact O-CG 3.44Å; T28-E32 PolarHBondContact O-N 2.96Å; T29-E32 PolarHBondContact O-N 3.34Å
33E86Confident78.8Confident162 Ų16271.3 Ų71.376%0.75737%0.372SS*.Hα-helixtrans-73.7-40.6-178.7-73.1-179.5178.300113T29 L30T29-E33 WeakPolarHBondContact O-CB 3.45Å; T29-E33 WeakPolarHBondContact O-CG 3.46Å; T29-E33 PolarHBondContact O-N 3.45Å; L30-E33 PolarHBondContact O-N 3.22Å
34T79.9Confident78.8Confident38 Ų3870.3 Ų70.323%0.23337%0.366CS..Hα-helixtrans-90.8-10.4-175.669.30000113.4I11 M15 L30 V36I11-T34 HydrophobicContact CD1-CG2 4.08Å; I11-T34 HydrophobicContact CG1-CG2 4.49Å; I11-T34 HydrophobicContact CG2-CG2 4.12Å; M15-T34 VanDerWaalsContact CE-OG1 3.24Å; M15-T34 WeakPolarHBondContact CE-OG1 3.3Å; L30-T34 HydrophobicContact CG-CG2 4.33Å; L30-T34 WeakPolarHBondContact O-CB 3.39Å; L30-T34 WeakPolarHBondContact O-CG2 3.32Å; L30-T34 PolarHBondContact O-N 3.11Å; L30-T34 PolarHBondContact O-OG1 3.43Å; T34-V36 PolarHBondContact O-N 3.31Å; T34-V36 PolarHBondContact OG1-N 2.97Å
35T80.5Confident79.1Confident130 Ų13072.3 Ų72.380%0.79838%0.376SS*.  trans56.85.7-172.265.70000115Q31Q31-T35 WeakPolarHBondContact O-CA 3.33Å; Q31-T35 PolarHBondContact O-N 2.9Å; Q31-T35 VanDerWaalsContact O-N 3.1Å
36V77.8Confident79.2Confident27 Ų2764.5 Ų64.516%0.16436%0.355CS..  trans-87.7121.9177.8178.50000108I11 R12 M15 T34I11-V36 HydrophobicContact CG2-CB 4.11Å; I11-V36 HydrophobicContact CG2-CG1 4.34Å; I11-V36 HydrophobicContact CG2-CG2 4.38Å; R12-V36 HydrophobicContact CG-CG1 3.95Å; M15-V36 HydrophobicContact CE-CB 4.2Å; M15-V36 WeakPolarHBondContact CE-O 3.34Å; T34-V36 PolarHBondContact O-N 3.31Å; T34-V36 PolarHBondContact OG1-N 2.97Å
37S70.9Confident79.3Confident48 Ų4861.5 Ų61.534%0.33634%0.336SS..  trans-87.3142.4171.453.60000110.9
38L71.4Confident79.5Confident9 Ų962.1 Ų62.15%0.04734%0.341CS..  trans-96.391.8170.4-17590.4000108.6R12 M15 Q16 K19 T40R12-L38 HydrophobicContact CB-CD1 4.24Å; R12-L38 WeakPolarHBondContact O-CD1 3.33Å; M15-L38 HydrophobicContact CB-CB 4.1Å; M15-L38 HydrophobicContact CB-CD1 3.84Å; M15-L38 HydrophobicContact CB-CD2 4.25Å; M15-L38 HydrophobicContact CB-CG 4.28Å; M15-L38 HydrophobicContact SD-CB 4.01Å; Q16-L38 HydrophobicContact CB-CD1 4.43Å; K19-L38 HydrophobicContact CD-CD2 3.92Å; L38-T40 HydrophobicContact CD1-CG2 3.64Å; L38-T40 HydrophobicContact CD2-CG2 4.16Å; L38-T40 WeakPolarHBondContact CD2-OG1 3.47Å; L38-T40 HydrophobicContact CG-CG2 3.66Å; L38-T40 PolarHBondContact O-N 3.47Å
39N72.8Confident79.9Confident14 Ų1461.6 Ų61.68%0.07534%0.342CS..  trans-92.477.2172.3-69.6-16000109.1L66 K67 E152 S154N39-L66 HydrophobicContact CB-CD2 4.05Å; N39-K67 PolarHBondContact ND2-O 2.57Å; N39-K67 PolarHBondContact OD1-N 2.97Å; N39-K67 VanDerWaalsContact OD1-N 3.11Å; N39-K67 PolarHBondContact OD1-O 3.4Å; N39-E152 WeakPolarHBondContact CB-O 3.48Å; N39-E152 PolarHBondContact ND2-O 3.47Å; N39-S154 PolarHBondContact O-N 3.38Å; N39-S154 PolarHBondContact O-OG 3.09Å; N39-S154 VanDerWaalsContact O-OG 3.07Å
40T71.6Confident80.1Confident10 Ų1061.3 Ų61.36%0.06134%0.339CS..BIsolated β-bridgetrans-104.9133.1-17953.80000113.6Q16 K19 L38 S154 V156Q16-T40 PolarHBondContact OE1-OG1 2.93Å; K19-T40 PolarHBondContact NZ-OG1 3.23Å; L38-T40 HydrophobicContact CD1-CG2 3.64Å; L38-T40 HydrophobicContact CD2-CG2 4.16Å; L38-T40 WeakPolarHBondContact CD2-OG1 3.47Å; L38-T40 HydrophobicContact CG-CG2 3.66Å; L38-T40 PolarHBondContact O-N 3.47Å; T40-S154 VanDerWaalsContact CA-O 3.32Å; T40-S154 WeakPolarHBondContact CA-O 3.38Å; T40-V156 HydrophobicContact CG2-CB 4.12Å; T40-V156 HydrophobicContact CG2-CG2 3.77Å
41V70.3Confident80.2Confident22 Ų2259.4 Ų59.413%0.13333%0.329CS..  trans-125.9150.8171.7-179.20000108.9S43 F47 L66 V153 S154V41-S43 VanDerWaalsContact C-N 3.32Å; V41-S43 PolarHBondContact O-N 3.24Å; V41-F47 HydrophobicContact CG1-CB 3.91Å; V41-F47 HydrophobicContact CG1-CD2 4.23Å; V41-F47 HydrophobicContact CG1-CG 4.15Å; V41-L66 HydrophobicContact CG2-CD1 4Å; V41-L66 HydrophobicContact CG2-CD2 4.42Å; V41-V153 HydrophobicContact CB-CG1 3.64Å; V41-V153 HydrophobicContact CG2-CB 4.48Å; V41-V153 HydrophobicContact CG2-CG1 3.37Å; V41-V153 HydrophobicContact CG2-CG2 4.25Å; V41-S154 PolarHBondContact N-O 3.48Å
42D69.9Low80.5Confident163 Ų16360.8 Ų60.887%0.87234%0.337SS*.SBendtrans-62.3-36.8-174.6-65.2-31.8000112.9
43S79.3Confident80.7Confident41 Ų4157.2 Ų57.229%0.28733%0.327SS..  trans-153.8131.4171.3168.80000110.7V41 E45 S46 F47V41-S43 VanDerWaalsContact C-N 3.32Å; V41-S43 PolarHBondContact O-N 3.24Å; S43-E45 VanDerWaalsContact C-N 3.29Å; S43-E45 PolarHBondContact OG-N 3Å; S43-S46 WeakPolarHBondContact CB-OG 3.32Å; S43-S46 PolarHBondContact O-OG 2.94Å; S43-S46 VanDerWaalsContact O-OG 3.09Å; S43-S46 PolarHBondContact OG-N 3.11Å; S43-F47 VanDerWaalsContact O-CB 3.31Å; S43-F47 WeakPolarHBondContact O-CB 3.46Å; S43-F47 PolarHBondContact O-N 3.33Å; S43-F47 VanDerWaalsContact O-N 3.13Å
44I81.9Confident80.6Confident60 Ų6050.3 Ų50.331%0.30830%0.299SS..Hα-helixtrans-64.5-38.4173.7-71.5158.2000110.1F47 V48 A150 V153 V155I44-F47 PolarHBondContact O-N 3.34Å; I44-V48 HydrophobicContact CG2-CG2 4.09Å; I44-V48 WeakPolarHBondContact O-CB 3.32Å; I44-V48 VanDerWaalsContact O-CG2 3.23Å; I44-V48 WeakPolarHBondContact O-CG2 3.46Å; I44-V48 PolarHBondContact O-N 3.27Å; I44-A150 HydrophobicContact CG2-CB 4.08Å; I44-V153 HydrophobicContact CG1-CG1 4.47Å; I44-V155 HydrophobicContact CB-CG2 4.33Å; I44-V155 HydrophobicContact CD1-CG2 3.6Å; I44-V155 HydrophobicContact CG1-CG2 3.55Å
45E83.9Confident81Confident163 Ų16353.9 Ų53.976%0.76231%0.313SS*.Hα-helixtrans-66.4-43.4-177.5-65179.7-17900111.7S43 A49S43-E45 VanDerWaalsContact C-N 3.29Å; S43-E45 PolarHBondContact OG-N 3Å; E45-A49 VanDerWaalsContact O-CB 3.29Å; E45-A49 WeakPolarHBondContact O-CB 3.23Å; E45-A49 PolarHBondContact O-N 3.38Å
46S85.3Confident81.3Confident53 Ų5348.8 Ų48.837%0.37128%0.279SS..Hα-helixtrans-67.3-41.5176.6650000111.1S43 V48 A49 D50S43-S46 WeakPolarHBondContact CB-OG 3.32Å; S43-S46 PolarHBondContact O-OG 2.94Å; S43-S46 VanDerWaalsContact O-OG 3.09Å; S43-S46 PolarHBondContact OG-N 3.11Å; S46-V48 PolarHBondContact O-N 3.12Å; S46-A49 WeakPolarHBondContact O-CB 3.44Å; S46-A49 PolarHBondContact O-N 2.91Å; S46-D50 VanDerWaalsContact O-CG 3.27Å; S46-D50 PolarHBondContact O-N 3.39Å
47F84.9Confident81.6Confident5 Ų554.3 Ų54.32%0.02231%0.308CS..Hα-helixtrans-64.1-42.9179-176.6-109.9000112.6V41 S43 I44 A49 D50 I51 V59 A62 I63 L149V41-F47 HydrophobicContact CG1-CB 3.91Å; V41-F47 HydrophobicContact CG1-CD2 4.23Å; V41-F47 HydrophobicContact CG1-CG 4.15Å; S43-F47 VanDerWaalsContact O-CB 3.31Å; S43-F47 WeakPolarHBondContact O-CB 3.46Å; S43-F47 PolarHBondContact O-N 3.33Å; S43-F47 VanDerWaalsContact O-N 3.13Å; I44-F47 PolarHBondContact O-N 3.34Å; F47-A49 VanDerWaalsContact C-N 3.33Å; F47-D50 PolarHBondContact O-N 3.2Å; F47-I51 HydrophobicContact CD1-CD1 3.9Å; F47-I51 HydrophobicContact CE1-CD1 3.55Å; F47-I51 HydrophobicContact CE2-CD1 4.42Å; F47-I51 HydrophobicContact CG-CD1 4.48Å; F47-I51 HydrophobicContact CZ-CD1 3.84Å; F47-I51 WeakPolarHBondContact O-CG1 3.44Å; F47-I51 PolarHBondContact O-N 2.92Å; F47-I51 VanDerWaalsContact O-N 3.12Å; F47-V59 HydrophobicContact CE2-CG1 4.25Å; F47-V59 HydrophobicContact CZ-CG1 4.46Å; F47-A62 HydrophobicContact CD2-CB 4.38Å; F47-A62 HydrophobicContact CE2-CB 4Å; F47-I63 HydrophobicContact CE2-CG1 4.39Å; F47-I63 HydrophobicContact CZ-CD1 4.2Å; F47-I63 HydrophobicContact CZ-CG1 4.09Å; F47-L149 HydrophobicContact CE1-CB 3.96Å; F47-L149 HydrophobicContact CE1-CD1 4.43Å; F47-L149 HydrophobicContact CZ-CD1 4.42Å
48V87.5Confident82.3Confident37 Ų3755.1 Ų55.122%0.22431%0.311CS..Hα-helixtrans-64.7-39.3174167.70000111I44 S46 I51 N52 A146 A150I44-V48 HydrophobicContact CG2-CG2 4.09Å; I44-V48 WeakPolarHBondContact O-CB 3.32Å; I44-V48 VanDerWaalsContact O-CG2 3.23Å; I44-V48 WeakPolarHBondContact O-CG2 3.46Å; I44-V48 PolarHBondContact O-N 3.27Å; S46-V48 PolarHBondContact O-N 3.12Å; V48-I51 PolarHBondContact O-N 2.96Å; V48-N52 WeakPolarHBondContact CG1-ND2 3.19Å; V48-N52 WeakPolarHBondContact O-CB 3.42Å; V48-N52 VanDerWaalsContact O-CG 3.25Å; V48-N52 PolarHBondContact O-N 2.85Å; V48-N52 PolarHBondContact O-ND2 3.01Å; V48-A146 HydrophobicContact CG1-CB 4.1Å; V48-A146 HydrophobicContact CG2-CB 4.47Å; V48-A150 HydrophobicContact CG2-CB 3.9Å
49A88.1Confident83.1Confident51 Ų5154.7 Ų54.742%0.42131%0.309SS..Hα-helixtrans-64.4-40.7175.700000112.2E45 S46 F47 I51 N52 S53E45-A49 VanDerWaalsContact O-CB 3.29Å; E45-A49 WeakPolarHBondContact O-CB 3.23Å; E45-A49 PolarHBondContact O-N 3.38Å; S46-A49 WeakPolarHBondContact O-CB 3.44Å; S46-A49 PolarHBondContact O-N 2.91Å; F47-A49 VanDerWaalsContact C-N 3.33Å; A49-I51 PolarHBondContact O-N 3.29Å; A49-N52 PolarHBondContact O-N 3.12Å; A49-S53 VanDerWaalsContact O-CB 3.31Å; A49-S53 WeakPolarHBondContact O-CB 3.49Å; A49-S53 PolarHBondContact O-N 3.07Å; A49-S53 PolarHBondContact O-OG 2.8Å
50D88.4Confident83.7Confident51 Ų5156 Ų5627%0.27332%0.316SS..Hα-helixtrans-62.9-41.3177.3-73.3-6.8000111.7S46 F47 S53 G54 H55 T58 V59S46-D50 VanDerWaalsContact O-CG 3.27Å; S46-D50 PolarHBondContact O-N 3.39Å; F47-D50 PolarHBondContact O-N 3.2Å; D50-S53 WeakPolarHBondContact CA-OG 2.95Å; D50-S53 PolarHBondContact O-OG 3.44Å; D50-G54 PolarHBondContact O-N 2.64Å; D50-H55 PolarHBondContact O-N 2.97Å; D50-T58 PolarHBondContact OD2-OG1 3.27Å; D50-V59 HydrophobicContact CB-CG2 3.9Å
51I87.5Confident84.3Confident0 Ų062.5 Ų62.50%035%0.345CS..Hα-helixtrans-66.5-45.7174.9-63.6163000111F47 V48 A49 S53 G54 W56 V59 A146 L149F47-I51 HydrophobicContact CD1-CD1 3.9Å; F47-I51 HydrophobicContact CE1-CD1 3.55Å; F47-I51 HydrophobicContact CE2-CD1 4.42Å; F47-I51 HydrophobicContact CG-CD1 4.48Å; F47-I51 HydrophobicContact CZ-CD1 3.84Å; F47-I51 WeakPolarHBondContact O-CG1 3.44Å; F47-I51 PolarHBondContact O-N 2.92Å; F47-I51 VanDerWaalsContact O-N 3.12Å; V48-I51 PolarHBondContact O-N 2.96Å; A49-I51 PolarHBondContact O-N 3.29Å; I51-S53 VanDerWaalsContact C-N 3.29Å; I51-S53 PolarHBondContact O-N 2.78Å; I51-G54 PolarHBondContact O-N 3.03Å; I51-W56 HydrophobicContact CG2-CH2 4.23Å; I51-W56 HydrophobicContact CG2-CZ3 4.22Å; I51-V59 HydrophobicContact CG1-CG1 3.95Å; I51-V59 HydrophobicContact CG1-CG2 3.71Å; I51-A146 HydrophobicContact CB-CB 4.05Å; I51-A146 HydrophobicContact CD1-CB 4.2Å; I51-A146 HydrophobicContact CG2-CB 3.79Å; I51-L149 HydrophobicContact CD1-CB 4.42Å; I51-L149 HydrophobicContact CD1-CD1 3.7Å
52N89.1Confident84.9Confident59 Ų5962.8 Ų62.832%0.31635%0.35SS..Hα-helixtrans-65.4-34.8-179.4-74.2-28.1000112.3V48 A49 R142 V143V48-N52 WeakPolarHBondContact CG1-ND2 3.19Å; V48-N52 WeakPolarHBondContact O-CB 3.42Å; V48-N52 VanDerWaalsContact O-CG 3.25Å; V48-N52 PolarHBondContact O-N 2.85Å; V48-N52 PolarHBondContact O-ND2 3.01Å; A49-N52 PolarHBondContact O-N 3.12Å; N52-R142 WeakPolarHBondContact O-CD 3.49Å; N52-R142 PolarHBondContact O-NH1 3.5Å; N52-V143 WeakPolarHBondContact OD1-CG2 3.39Å
53S86.6Confident85.6Confident59 Ų5955.3 Ų55.341%0.41331%0.31SS..Hα-helixtrans-79.4-22.5176.154.80000113A49 D50 I51 H55 R142A49-S53 VanDerWaalsContact O-CB 3.31Å; A49-S53 WeakPolarHBondContact O-CB 3.49Å; A49-S53 PolarHBondContact O-N 3.07Å; A49-S53 PolarHBondContact O-OG 2.8Å; D50-S53 WeakPolarHBondContact CA-OG 2.95Å; D50-S53 PolarHBondContact O-OG 3.44Å; I51-S53 VanDerWaalsContact C-N 3.29Å; I51-S53 PolarHBondContact O-N 2.78Å; S53-H55 WeakPolarHBondContact CB-ND1 3.38Å; S53-H55 PolarHBondContact OG-ND1 3.3Å; S53-R142 PolarHBondContact O-NH1 3.46Å
54G84.6Confident85.6Confident17 Ų1761.6 Ų61.618%0.17534%0.335CS..THydrogen-bonded Turntrans85.928.7177.500000113.7D50 I51 W56D50-G54 PolarHBondContact O-N 2.64Å; I51-G54 PolarHBondContact O-N 3.03Å; G54-W56 VanDerWaalsContact O-CD1 3.3Å; G54-W56 PolarHBondContact O-N 3.25Å
55H88.2Confident85.3Confident113 Ų11362.5 Ų62.552%0.52335%0.346SS..  trans-78.571.8172.9-68.590.4000109.9D50 S53 D57 T58 V59D50-H55 PolarHBondContact O-N 2.97Å; S53-H55 WeakPolarHBondContact CB-ND1 3.38Å; S53-H55 PolarHBondContact OG-ND1 3.3Å; H55-D57 PolarHBondContact O-N 3.46Å; H55-T58 PolarHBondContact O-N 3.26Å; H55-T58 PolarHBondContact O-OG1 3.37Å; H55-V59 WeakPolarHBondContact O-CG2 3.48Å; H55-V59 PolarHBondContact O-N 3.16Å
56W87.5Confident85Confident23 Ų2355.5 Ų55.59%0.08731%0.314CS..Hα-helixtrans-64.1-25.2-171.9-59.7117.4000114.1I51 G54 V59 L60 L76 Q79 V80 E83 R142I51-W56 HydrophobicContact CG2-CH2 4.23Å; I51-W56 HydrophobicContact CG2-CZ3 4.22Å; G54-W56 VanDerWaalsContact O-CD1 3.3Å; G54-W56 PolarHBondContact O-N 3.25Å; W56-V59 HydrophobicContact CE3-CB 4.34Å; W56-V59 HydrophobicContact CE3-CG1 4.28Å; W56-V59 HydrophobicContact CZ3-CG1 4.46Å; W56-V59 PolarHBondContact O-N 3.01Å; W56-L60 VanDerWaalsContact O-CB 3.28Å; W56-L60 WeakPolarHBondContact O-CB 3.01Å; W56-L60 WeakPolarHBondContact O-CG 3.48Å; W56-L60 PolarHBondContact O-N 3.05Å; W56-L76 HydrophobicContact CE3-CD1 4.12Å; W56-L76 HydrophobicContact CH2-CD1 4.2Å; W56-L76 HydrophobicContact CZ3-CD1 3.41Å; W56-L76 VanDerWaalsContact CZ3-CD1 3.41Å; W56-Q79 HydrophobicContact CH2-CB 4.49Å; W56-Q79 HydrophobicContact CH2-CG 3.88Å; W56-Q79 HydrophobicContact CZ2-CG 3.76Å; W56-V80 HydrophobicContact CB-CG1 4.43Å; W56-V80 HydrophobicContact CB-CG2 4.3Å; W56-V80 HydrophobicContact CD2-CG2 3.59Å; W56-V80 HydrophobicContact CE3-CG2 3.65Å; W56-V80 HydrophobicContact CG-CG1 4.32Å; W56-V80 HydrophobicContact CG-CG2 3.89Å; W56-V80 HydrophobicContact CZ3-CG2 4.25Å; W56-E83 WeakPolarHBondContact CZ2-OE1 3.37Å; W56-E83 VanDerWaalsContact NE1-CD 3.34Å; W56-E83 PolarHBondContact NE1-OE2 2.97Å; W56-R142 HydrophobicContact CZ2-CG 4.46Å
57D84.1Confident84.7Confident142 Ų14259.1 Ų59.176%0.75932%0.323SS*.Hα-helixtrans-62.3-46.6177.8-61.4-36.5000111.9H55 Q61H55-D57 PolarHBondContact O-N 3.46Å; D57-Q61 WeakPolarHBondContact O-CB 3.17Å; D57-Q61 PolarHBondContact O-N 2.73Å; D57-Q61 VanDerWaalsContact O-N 3.14Å
58T85.8Confident84.5Confident65 Ų6559.6 Ų59.640%0.39933%0.326SS..Hα-helixtrans-70.7-39.517959.10000111.1D50 H55 Q61 A62D50-T58 PolarHBondContact OD2-OG1 3.27Å; H55-T58 PolarHBondContact O-N 3.26Å; H55-T58 PolarHBondContact O-OG1 3.37Å; T58-Q61 PolarHBondContact O-N 3.32Å; T58-A62 WeakPolarHBondContact O-CB 3.5Å; T58-A62 PolarHBondContact O-N 3.07Å
59V86.8Confident84.4Confident0 Ų060.4 Ų60.40%033%0.332CS..Hα-helixtrans-63.9-47.3179175.90000111.2F47 D50 I51 H55 W56 A62 I63 L76F47-V59 HydrophobicContact CE2-CG1 4.25Å; F47-V59 HydrophobicContact CZ-CG1 4.46Å; D50-V59 HydrophobicContact CB-CG2 3.9Å; I51-V59 HydrophobicContact CG1-CG1 3.95Å; I51-V59 HydrophobicContact CG1-CG2 3.71Å; H55-V59 WeakPolarHBondContact O-CG2 3.48Å; H55-V59 PolarHBondContact O-N 3.16Å; W56-V59 HydrophobicContact CE3-CB 4.34Å; W56-V59 HydrophobicContact CE3-CG1 4.28Å; W56-V59 HydrophobicContact CZ3-CG1 4.46Å; W56-V59 PolarHBondContact O-N 3.01Å; V59-A62 PolarHBondContact O-N 2.94Å; V59-I63 HydrophobicContact CG1-CD1 3.59Å; V59-I63 HydrophobicContact CG1-CG1 4.47Å; V59-I63 WeakPolarHBondContact O-CB 3.15Å; V59-I63 WeakPolarHBondContact O-CD1 3.45Å; V59-I63 WeakPolarHBondContact O-CG1 3.2Å; V59-I63 PolarHBondContact O-N 3.48Å; V59-L76 HydrophobicContact CG1-CD1 4.24Å; V59-L76 HydrophobicContact CG1-CD2 4.44Å
60L86.4Confident84.2Confident43 Ų4362.5 Ų62.523%0.22534%0.336CS..Hα-helixtrans-66.4-38.6179.3-70.7171.9000111.8W56 I63 Q64 Y77W56-L60 VanDerWaalsContact O-CB 3.28Å; W56-L60 WeakPolarHBondContact O-CB 3.01Å; W56-L60 WeakPolarHBondContact O-CG 3.48Å; W56-L60 PolarHBondContact O-N 3.05Å; L60-I63 PolarHBondContact O-N 2.74Å; L60-Q64 PolarHBondContact O-N 2.75Å; L60-Y77 HydrophobicContact CD2-CD1 4.46Å; L60-Y77 HydrophobicContact CD2-CE1 3.84Å; L60-Y77 HydrophobicContact CD2-CE2 4.38Å
61Q84.9Confident84.1Confident146 Ų14667.4 Ų67.468%0.68236%0.355SS*.Hα-helixtrans-64.4-40.8175.6-171.5176.35.400112D57 T58D57-Q61 WeakPolarHBondContact O-CB 3.17Å; D57-Q61 PolarHBondContact O-N 2.73Å; D57-Q61 VanDerWaalsContact O-N 3.14Å; T58-Q61 PolarHBondContact O-N 3.32Å
62A81.9Confident84.1Confident28 Ų2868.4 Ų68.423%0.23136%0.361CS..Hα-helixtrans-64.3-45175.600000111.4F47 T58 V59 Q64 S65F47-A62 HydrophobicContact CD2-CB 4.38Å; F47-A62 HydrophobicContact CE2-CB 4Å; T58-A62 WeakPolarHBondContact O-CB 3.5Å; T58-A62 PolarHBondContact O-N 3.07Å; V59-A62 PolarHBondContact O-N 2.94Å; A62-Q64 VanDerWaalsContact C-N 3.35Å; A62-Q64 PolarHBondContact O-N 3.23Å; A62-S65 PolarHBondContact O-N 2.66Å; A62-S65 PolarHBondContact O-OG 2.74Å
63I84.1Confident84.1Confident6 Ų666.9 Ų66.93%0.03135%0.353CS..Hα-helixtrans-69.4-29.1-175.8-71.2171.5000113.2F47 V59 L60 S65 L66 L68 L73 L76 L149F47-I63 HydrophobicContact CE2-CG1 4.39Å; F47-I63 HydrophobicContact CZ-CD1 4.2Å; F47-I63 HydrophobicContact CZ-CG1 4.09Å; V59-I63 HydrophobicContact CG1-CD1 3.59Å; V59-I63 HydrophobicContact CG1-CG1 4.47Å; V59-I63 WeakPolarHBondContact O-CB 3.15Å; V59-I63 WeakPolarHBondContact O-CD1 3.45Å; V59-I63 WeakPolarHBondContact O-CG1 3.2Å; V59-I63 PolarHBondContact O-N 3.48Å; L60-I63 PolarHBondContact O-N 2.74Å; I63-S65 PolarHBondContact O-N 3.12Å; I63-L66 HydrophobicContact CG1-CD1 4.39Å; I63-L66 PolarHBondContact O-N 2.71Å; I63-L68 HydrophobicContact CD1-CD1 4.44Å; I63-L68 HydrophobicContact CG1-CD1 4.13Å; I63-L68 HydrophobicContact CG2-CD1 3.8Å; I63-L73 HydrophobicContact CG2-CD2 3.54Å; I63-L76 HydrophobicContact CD1-CD2 3.16Å; I63-L149 HydrophobicContact CD1-CD1 4.34Å
64Q80.4Confident84.2Confident173 Ų17364.7 Ų64.781%0.80834%0.336SS*.THydrogen-bonded Turntrans-54.7-28.5176.2-170.7179.69.100112.8L60 A62L60-Q64 PolarHBondContact O-N 2.75Å; A62-Q64 VanDerWaalsContact C-N 3.35Å; A62-Q64 PolarHBondContact O-N 3.23Å
65S74.4Confident84.4Confident79 Ų7965.9 Ų65.955%0.55234%0.339SS*.THydrogen-bonded Turntrans-89.3-8.1179.373.30000114.6A62 I63A62-S65 PolarHBondContact O-N 2.66Å; A62-S65 PolarHBondContact O-OG 2.74Å; I63-S65 PolarHBondContact O-N 3.12Å
66L78.4Confident84.5Confident16 Ų1660.5 Ų60.58%0.08431%0.314CS..SBendtrans-102.6143.8-173.3-58.1175.3000111N39 V41 I63 L68 V153N39-L66 HydrophobicContact CB-CD2 4.05Å; V41-L66 HydrophobicContact CG2-CD1 4Å; V41-L66 HydrophobicContact CG2-CD2 4.42Å; I63-L66 HydrophobicContact CG1-CD1 4.39Å; I63-L66 PolarHBondContact O-N 2.71Å; L66-L68 HydrophobicContact CB-CD1 4.44Å; L66-L68 HydrophobicContact CB-CD2 4.29Å; L66-L68 HydrophobicContact CB-CG 3.98Å; L66-V153 HydrophobicContact CD1-CG2 4.01Å
67K78.7Confident84.6Confident128 Ų12861.6 Ų61.656%0.55732%0.318SS*.  trans-9796.3170-71.7-177.1179.3174.80108.2N39N39-K67 PolarHBondContact ND2-O 2.57Å; N39-K67 PolarHBondContact OD1-N 2.97Å; N39-K67 VanDerWaalsContact OD1-N 3.11Å; N39-K67 PolarHBondContact OD1-O 3.4Å
68L82.1Confident84.8Confident16 Ų1655.6 Ų55.68%0.08429%0.285CS..  trans-104.9154.2-177.8-63176.9000111.5I63 L66 L73 L149 E152I63-L68 HydrophobicContact CD1-CD1 4.44Å; I63-L68 HydrophobicContact CG1-CD1 4.13Å; I63-L68 HydrophobicContact CG2-CD1 3.8Å; L66-L68 HydrophobicContact CB-CD1 4.44Å; L66-L68 HydrophobicContact CB-CD2 4.29Å; L66-L68 HydrophobicContact CB-CG 3.98Å; L68-L73 HydrophobicContact CB-CD1 4.18Å; L68-L73 HydrophobicContact CB-CD2 4.29Å; L68-L73 HydrophobicContact CB-CG 3.96Å; L68-L73 HydrophobicContact CD1-CD2 4.06Å; L68-L149 HydrophobicContact CD1-CD2 3.6Å; L68-L149 HydrophobicContact CD2-CD2 4.5Å; L68-E152 HydrophobicContact CD2-CB 3.99Å
69P84.9Confident85Confident54 Ų5452.5 Ų52.535%0.35127%0.266SS..  trans-57.8141.8171.2-23.733.6000112.4K71 T72 L73P69-K71 PolarHBondContact O-N 3.27Å; P69-K71 VanDerWaalsContact O-N 3.14Å; P69-T72 PolarHBondContact O-N 3.37Å; P69-T72 VanDerWaalsContact O-N 3.14Å; P69-T72 PolarHBondContact O-OG1 3.22Å; P69-L73 PolarHBondContact O-N 3.2Å
70D83.9Confident85.2Confident94 Ų9452.7 Ų52.750%0.50327%0.267SS..Hα-helixtrans-58.2-35.4-177.4-59.7-38.8000112.6T72 L73 I74 M105D70-T72 PolarHBondContact O-N 2.97Å; D70-L73 PolarHBondContact O-N 3.5Å; D70-I74 WeakPolarHBondContact O-CB 3.42Å; D70-I74 WeakPolarHBondContact O-CD1 3.2Å; D70-I74 WeakPolarHBondContact O-CG1 3.4Å; D70-I74 PolarHBondContact O-N 3.37Å; D70-M105 HydrophobicContact CB-CE 3.72Å; D70-M105 WeakPolarHBondContact OD1-CE 3.37Å; D70-M105 WeakPolarHBondContact OD2-CE 3.42Å
71K86.8Confident85.3Confident155 Ų15550.6 Ų50.667%0.67426%0.257SS*.Hα-helixtrans-62.1-43.9179.6-173.2179.3176.9-175.30112.5P69 I74 D75P69-K71 PolarHBondContact O-N 3.27Å; P69-K71 VanDerWaalsContact O-N 3.14Å; K71-I74 PolarHBondContact O-N 2.87Å; K71-D75 PolarHBondContact O-N 2.89Å
72T87.4Confident85.4Confident20 Ų2043.8 Ų43.812%0.12323%0.225CC..Hα-helixtrans-72.2-36-178.656.90000111.2P69 D70 L76 A148P69-T72 PolarHBondContact O-N 3.37Å; P69-T72 VanDerWaalsContact O-N 3.14Å; P69-T72 PolarHBondContact O-OG1 3.22Å; D70-T72 PolarHBondContact O-N 2.97Å; T72-L76 WeakPolarHBondContact O-CB 3.45Å; T72-L76 PolarHBondContact O-N 3.12Å; T72-L76 VanDerWaalsContact O-N 3.07Å; T72-A148 HydrophobicContact CG2-CB 4.37Å
73L87.8Confident85.7Confident28 Ų2842.7 Ų42.715%0.14722%0.215CC..Hα-helixtrans-61.1-48.8171.2-74168.9000111I63 L68 P69 D70 D75 L76 Y77 P102I63-L73 HydrophobicContact CG2-CD2 3.54Å; L68-L73 HydrophobicContact CB-CD1 4.18Å; L68-L73 HydrophobicContact CB-CD2 4.29Å; L68-L73 HydrophobicContact CB-CG 3.96Å; L68-L73 HydrophobicContact CD1-CD2 4.06Å; P69-L73 PolarHBondContact O-N 3.2Å; D70-L73 PolarHBondContact O-N 3.5Å; L73-D75 VanDerWaalsContact C-N 3.35Å; L73-D75 PolarHBondContact O-N 3.5Å; L73-L76 PolarHBondContact O-N 3.07Å; L73-Y77 HydrophobicContact CD2-CE2 4.18Å; L73-Y77 VanDerWaalsContact O-CD2 3.25Å; L73-Y77 WeakPolarHBondContact O-CD2 3.35Å; L73-Y77 PolarHBondContact O-N 3.2Å; L73-P102 HydrophobicContact CB-CB 4.3Å; L73-P102 HydrophobicContact CB-CG 4.16Å
74I89.6Confident85.8Confident13 Ų1344 Ų447%0.06722%0.222CC..Hα-helixtrans-56.5-48.8178.4-72.7164.6000111.1D70 K71 L76 Y77 E78 P102 M105 L106D70-I74 WeakPolarHBondContact O-CB 3.42Å; D70-I74 WeakPolarHBondContact O-CD1 3.2Å; D70-I74 WeakPolarHBondContact O-CG1 3.4Å; D70-I74 PolarHBondContact O-N 3.37Å; K71-I74 PolarHBondContact O-N 2.87Å; I74-L76 VanDerWaalsContact C-N 3.31Å; I74-L76 PolarHBondContact O-N 3.02Å; I74-Y77 PolarHBondContact O-N 3.07Å; I74-E78 VanDerWaalsContact O-CB 3.3Å; I74-E78 WeakPolarHBondContact O-CB 3.48Å; I74-E78 PolarHBondContact O-N 3.41Å; I74-P102 HydrophobicContact CG1-CB 4.16Å; I74-P102 WeakPolarHBondContact CG1-O 3.39Å; I74-M105 HydrophobicContact CD1-CB 4.45Å; I74-L106 HydrophobicContact CG1-CB 4.43Å; I74-L106 HydrophobicContact CG2-CB 4.05Å; I74-L106 HydrophobicContact CG2-CD1 3.53Å; I74-L106 HydrophobicContact CG2-CD2 4.33Å; I74-L106 HydrophobicContact CG2-CG 4.15Å
75D88.8Confident86.1Confident42 Ų4236 Ų3623%0.22519%0.185CC..Hα-helixtrans-64.7-35.7-177.9-70.2-24.8000112.4K71 L73 Q79 R113 I145K71-D75 PolarHBondContact O-N 2.89Å; L73-D75 VanDerWaalsContact C-N 3.35Å; L73-D75 PolarHBondContact O-N 3.5Å; D75-Q79 PolarHBondContact O-N 3.26Å; D75-Q79 VanDerWaalsContact O-N 3.16Å; D75-R113 IonicContact OD1-CZ 3.29Å; D75-R113 IonicContact OD1-NH1 2.9Å; D75-R113 PolarHBondContact OD1-NH1 3.48Å; D75-R113 IonicContact OD1-NH2 3.75Å; D75-R113 PolarHBondContact OD1-NH2 3.47Å; D75-I145 WeakPolarHBondContact O-CD1 3.4Å
76L90.1Very high86.7Confident0 Ų036.1 Ų36.10%018%0.176CC..Hα-helixtrans-67.1-54.9173.8176.577.9000111.9W56 V59 I63 T72 L73 I74 E78 Q79 V80 I145 L149W56-L76 HydrophobicContact CE3-CD1 4.12Å; W56-L76 HydrophobicContact CH2-CD1 4.2Å; W56-L76 HydrophobicContact CZ3-CD1 3.41Å; W56-L76 VanDerWaalsContact CZ3-CD1 3.41Å; V59-L76 HydrophobicContact CG1-CD1 4.24Å; V59-L76 HydrophobicContact CG1-CD2 4.44Å; I63-L76 HydrophobicContact CD1-CD2 3.16Å; T72-L76 WeakPolarHBondContact O-CB 3.45Å; T72-L76 PolarHBondContact O-N 3.12Å; T72-L76 VanDerWaalsContact O-N 3.07Å; L73-L76 PolarHBondContact O-N 3.07Å; I74-L76 VanDerWaalsContact C-N 3.31Å; I74-L76 PolarHBondContact O-N 3.02Å; L76-E78 PolarHBondContact O-N 3.38Å; L76-Q79 WeakPolarHBondContact O-CA 3.41Å; L76-Q79 WeakPolarHBondContact O-CB 3.4Å; L76-Q79 PolarHBondContact O-N 3.4Å; L76-V80 WeakPolarHBondContact O-CG2 3.15Å; L76-V80 PolarHBondContact O-N 2.83Å; L76-I145 HydrophobicContact CB-CG2 4.19Å; L76-I145 HydrophobicContact CD1-CG2 3.74Å; L76-L149 HydrophobicContact CD1-CD1 4.1Å
77Y89.6Confident87Confident46 Ų4641.1 Ų41.118%0.1820%0.203CC..Hα-helixtrans-61.2-33.6-178.9-85.3-84.9000110.8L60 L73 I74 V80 V81 L96 T100 P102L60-Y77 HydrophobicContact CD2-CD1 4.46Å; L60-Y77 HydrophobicContact CD2-CE1 3.84Å; L60-Y77 HydrophobicContact CD2-CE2 4.38Å; L73-Y77 HydrophobicContact CD2-CE2 4.18Å; L73-Y77 VanDerWaalsContact O-CD2 3.25Å; L73-Y77 WeakPolarHBondContact O-CD2 3.35Å; L73-Y77 PolarHBondContact O-N 3.2Å; I74-Y77 PolarHBondContact O-N 3.07Å; Y77-V80 PolarHBondContact O-N 3.09Å; Y77-V81 VanDerWaalsContact O-CG2 3.3Å; Y77-V81 WeakPolarHBondContact O-CG2 3.41Å; Y77-V81 PolarHBondContact O-N 3.39Å; Y77-L96 HydrophobicContact CD1-CD2 3.6Å; Y77-L96 HydrophobicContact CD1-CG 4.3Å; Y77-L96 HydrophobicContact CE1-CD2 4.36Å; Y77-T100 HydrophobicContact CD1-CG2 4.22Å; Y77-T100 HydrophobicContact CE1-CG2 3.83Å; Y77-P102 HydrophobicContact CD2-CB 3.96Å; Y77-P102 HydrophobicContact CD2-CG 3.77Å; Y77-P102 HydrophobicContact CE2-CB 4.45Å; Y77-P102 HydrophobicContact CE2-CG 3.75Å; Y77-P102 HydrophobicContact CG-CB 4.46Å
78E89.1Confident87.3Confident15 Ų1543.1 Ų43.17%0.0721%0.207CC..Hα-helixtrans-63.4-43.7173.1-176.1177.813500111.5I74 L76 V80 V81 L82 M103 R113 L117 R141I74-E78 VanDerWaalsContact O-CB 3.3Å; I74-E78 WeakPolarHBondContact O-CB 3.48Å; I74-E78 PolarHBondContact O-N 3.41Å; L76-E78 PolarHBondContact O-N 3.38Å; E78-V80 VanDerWaalsContact C-N 3.34Å; E78-V80 PolarHBondContact O-N 3.25Å; E78-V81 PolarHBondContact O-N 2.9Å; E78-L82 HydrophobicContact CG-CD1 4.41Å; E78-L82 WeakPolarHBondContact O-CG 3.39Å; E78-L82 PolarHBondContact O-N 3.43Å; E78-M103 HydrophobicContact CB-CE 4.08Å; E78-R113 IonicContact OE1-NH2 3.4Å; E78-R113 IonicContact OE2-CZ 3.85Å; E78-R113 IonicContact OE2-NE 3.68Å; E78-R113 PolarHBondContact OE2-NE 3.41Å; E78-R113 IonicContact OE2-NH2 3.44Å; E78-R113 PolarHBondContact OE2-NH2 2.89Å; E78-L117 HydrophobicContact CG-CD1 3.81Å; E78-L117 HydrophobicContact CG-CD2 3.89Å; E78-L117 HydrophobicContact CG-CG 4.36Å; E78-R141 VanDerWaalsContact CG-NH2 3.3Å; E78-R141 IonicContact OE1-CZ 2.91Å; E78-R141 IonicContact OE1-NH1 3.12Å; E78-R141 PolarHBondContact OE1-NH1 3.04Å; E78-R141 IonicContact OE1-NH2 3.18Å; E78-R141 PolarHBondContact OE1-NH2 3.04Å; E78-R141 IonicContact OE2-NH2 2.76Å
79Q89.5Confident87.5Confident0 Ų047.8 Ų47.80%023%0.228CC..Hα-helixtrans-61.9-42.3175.6-176.260.727.300111.7W56 D75 L76 V81 L82 E83 Y132 I145W56-Q79 HydrophobicContact CH2-CB 4.49Å; W56-Q79 HydrophobicContact CH2-CG 3.88Å; W56-Q79 HydrophobicContact CZ2-CG 3.76Å; D75-Q79 PolarHBondContact O-N 3.26Å; D75-Q79 VanDerWaalsContact O-N 3.16Å; L76-Q79 WeakPolarHBondContact O-CA 3.41Å; L76-Q79 WeakPolarHBondContact O-CB 3.4Å; L76-Q79 PolarHBondContact O-N 3.4Å; Q79-V81 VanDerWaalsContact C-N 3.33Å; Q79-V81 PolarHBondContact O-N 3.35Å; Q79-L82 PolarHBondContact O-N 3.28Å; Q79-E83 PolarHBondContact NE2-OE1 3.44Å; Q79-E83 WeakPolarHBondContact O-CG 3.35Å; Q79-E83 PolarHBondContact O-N 2.76Å; Q79-E83 VanDerWaalsContact O-N 3.07Å; Q79-Y132 PolarHBondContact NE2-OH 3.06Å; Q79-I145 HydrophobicContact CB-CD1 3.51Å; Q79-I145 HydrophobicContact CG-CD1 3.9Å
80V89.8Confident87.5Confident4 Ų448.1 Ų48.12%0.02423%0.226CC..Hα-helixtrans-59.8-44.9175.6179.30000110.5W56 L76 Y77 E78 E83 L84 L96W56-V80 HydrophobicContact CB-CG1 4.43Å; W56-V80 HydrophobicContact CB-CG2 4.3Å; W56-V80 HydrophobicContact CD2-CG2 3.59Å; W56-V80 HydrophobicContact CE3-CG2 3.65Å; W56-V80 HydrophobicContact CG-CG1 4.32Å; W56-V80 HydrophobicContact CG-CG2 3.89Å; W56-V80 HydrophobicContact CZ3-CG2 4.25Å; L76-V80 WeakPolarHBondContact O-CG2 3.15Å; L76-V80 PolarHBondContact O-N 2.83Å; Y77-V80 PolarHBondContact O-N 3.09Å; E78-V80 VanDerWaalsContact C-N 3.34Å; E78-V80 PolarHBondContact O-N 3.25Å; V80-E83 PolarHBondContact O-N 3.41Å; V80-L84 HydrophobicContact CG1-CD1 4.1Å; V80-L84 HydrophobicContact CG1-CG 4.4Å; V80-L84 WeakPolarHBondContact O-CG 3.3Å; V80-L84 PolarHBondContact O-N 3.37Å; V80-L96 HydrophobicContact CB-CD1 4.48Å; V80-L96 HydrophobicContact CG1-CD1 3.68Å
81V88.5Confident87.7Confident0 Ų046.3 Ų46.30%023%0.23CC..Hα-helixtrans-61.9-46.4178170.50000111.3Y77 E78 Q79 E83 L84 I85 L96 L97 M103 L117Y77-V81 VanDerWaalsContact O-CG2 3.3Å; Y77-V81 WeakPolarHBondContact O-CG2 3.41Å; Y77-V81 PolarHBondContact O-N 3.39Å; E78-V81 PolarHBondContact O-N 2.9Å; Q79-V81 VanDerWaalsContact C-N 3.33Å; Q79-V81 PolarHBondContact O-N 3.35Å; V81-E83 VanDerWaalsContact C-N 3.26Å; V81-E83 PolarHBondContact O-N 3.11Å; V81-L84 PolarHBondContact O-N 2.86Å; V81-I85 HydrophobicContact CG1-CD1 3.87Å; V81-I85 HydrophobicContact CG1-CG1 4.44Å; V81-I85 VanDerWaalsContact O-CG1 3.23Å; V81-I85 WeakPolarHBondContact O-CG1 2.99Å; V81-I85 PolarHBondContact O-N 3.17Å; V81-L96 HydrophobicContact CG2-CD2 3.48Å; V81-L96 VanDerWaalsContact CG2-CD2 3.48Å; V81-L96 HydrophobicContact CG2-CG 4.42Å; V81-L97 HydrophobicContact CG1-CD1 4.16Å; V81-M103 HydrophobicContact CG2-CE 4.35Å; V81-L117 HydrophobicContact CG1-CD2 4.35Å
82L87.9Confident87.7Confident2 Ų241.1 Ų41.11%0.0122%0.216CC..Hα-helixtrans-58.6-39.8178.2-72.9174.1000112.2E78 Q79 I85 E86 L117 L120 A131 Y132E78-L82 HydrophobicContact CG-CD1 4.41Å; E78-L82 WeakPolarHBondContact O-CG 3.39Å; E78-L82 PolarHBondContact O-N 3.43Å; Q79-L82 PolarHBondContact O-N 3.28Å; L82-I85 PolarHBondContact O-N 3.41Å; L82-E86 PolarHBondContact O-N 3.19Å; L82-L117 HydrophobicContact CD2-CD2 3.77Å; L82-L117 HydrophobicContact CG-CD2 4.07Å; L82-L120 HydrophobicContact CD2-CD1 3.78Å; L82-A131 HydrophobicContact CD2-CB 4.21Å; L82-Y132 HydrophobicContact CD1-CE1 4.34Å
83E87.5Confident87.7Confident6 Ų640.1 Ų40.13%0.02821%0.21CC..Hα-helixtrans-74-34.9178.7-68.5-170.6-166.800113.3W56 Q79 V80 V81 I85 E86 L87 K138 R142W56-E83 WeakPolarHBondContact CZ2-OE1 3.37Å; W56-E83 VanDerWaalsContact NE1-CD 3.34Å; W56-E83 PolarHBondContact NE1-OE2 2.97Å; Q79-E83 PolarHBondContact NE2-OE1 3.44Å; Q79-E83 WeakPolarHBondContact O-CG 3.35Å; Q79-E83 PolarHBondContact O-N 2.76Å; Q79-E83 VanDerWaalsContact O-N 3.07Å; V80-E83 PolarHBondContact O-N 3.41Å; V81-E83 VanDerWaalsContact C-N 3.26Å; V81-E83 PolarHBondContact O-N 3.11Å; E83-I85 VanDerWaalsContact C-N 3.28Å; E83-I85 PolarHBondContact O-N 2.79Å; E83-E86 WeakPolarHBondContact O-CB 3.32Å; E83-E86 PolarHBondContact O-N 2.86Å; E83-L87 WeakPolarHBondContact O-CB 3.05Å; E83-L87 WeakPolarHBondContact O-CG 3.34Å; E83-L87 PolarHBondContact O-N 3.33Å; E83-K138 HydrophobicContact CG-CD 4.46Å; E83-K138 WeakPolarHBondContact OE1-CE 3.25Å; E83-K138 IonicContact OE2-NZ 3.61Å; E83-R142 IonicContact OE1-CZ 3.77Å; E83-R142 IonicContact OE1-NE 3.83Å; E83-R142 PolarHBondContact OE1-NE 3.35Å; E83-R142 IonicContact OE1-NH2 3.09Å; E83-R142 PolarHBondContact OE1-NH2 3.45Å; E83-R142 VanDerWaalsContact OE1-NH2 3.12Å; E83-R142 IonicContact OE2-CZ 2.81Å; E83-R142 IonicContact OE2-NE 2.93Å; E83-R142 IonicContact OE2-NH2 3.78Å; E83-R142 PolarHBondContact OE2-NH2 3.14Å
84L87.8Confident87.7Confident33 Ų3344.6 Ų44.617%0.17323%0.225CC..Hα-helixtrans-64.2-35.7171.2-71.4174.9000111.7V80 V81 L87 R88 E89 A92 A93 L96V80-L84 HydrophobicContact CG1-CD1 4.1Å; V80-L84 HydrophobicContact CG1-CG 4.4Å; V80-L84 WeakPolarHBondContact O-CG 3.3Å; V80-L84 PolarHBondContact O-N 3.37Å; V81-L84 PolarHBondContact O-N 2.86Å; L84-L87 PolarHBondContact O-N 2.97Å; L84-R88 PolarHBondContact O-N 3.34Å; L84-E89 HydrophobicContact CD2-CB 4.24Å; L84-E89 PolarHBondContact O-N 2.96Å; L84-A92 HydrophobicContact CD1-CB 4.2Å; L84-A92 HydrophobicContact CD2-CB 4.44Å; L84-A93 HydrophobicContact CB-CB 3.78Å; L84-A93 HydrophobicContact CD1-CB 4.41Å; L84-L96 HydrophobicContact CD1-CD1 3.97Å
85I85.8Confident87.8Confident6 Ų646.2 Ų46.23%0.03124%0.238CC..Hα-helixtrans-66.1-43.5173.4-62.3163.4000110.4V81 L82 E83 L87 R88 A93 L120 L121 F126V81-I85 HydrophobicContact CG1-CD1 3.87Å; V81-I85 HydrophobicContact CG1-CG1 4.44Å; V81-I85 VanDerWaalsContact O-CG1 3.23Å; V81-I85 WeakPolarHBondContact O-CG1 2.99Å; V81-I85 PolarHBondContact O-N 3.17Å; L82-I85 PolarHBondContact O-N 3.41Å; E83-I85 VanDerWaalsContact C-N 3.28Å; E83-I85 PolarHBondContact O-N 2.79Å; I85-L87 VanDerWaalsContact C-N 3.32Å; I85-L87 PolarHBondContact O-N 3.37Å; I85-R88 WeakPolarHBondContact O-CA 3.01Å; I85-R88 PolarHBondContact O-N 3.44Å; I85-A93 HydrophobicContact CG1-CB 4.18Å; I85-L120 HydrophobicContact CD1-CB 4.18Å; I85-L121 HydrophobicContact CD1-CD2 3.88Å; I85-L121 HydrophobicContact CD1-CG 3.77Å; I85-L121 HydrophobicContact CG1-CD2 3.54Å; I85-L121 HydrophobicContact CG1-CG 4.03Å; I85-F126 HydrophobicContact CB-CD2 4.28Å; I85-F126 HydrophobicContact CB-CE2 4.47Å; I85-F126 HydrophobicContact CG2-CD2 3.59Å; I85-F126 HydrophobicContact CG2-CE2 4.2Å; I85-F126 HydrophobicContact CG2-CG 4.49Å
86E86.1Confident87.7Confident80 Ų8045.5 Ų45.537%0.37423%0.234SC..Hα-helixtrans-59.7-41.6176.3-172.6-177.5-170.100111.8L82 E83 R88 F126 K138L82-E86 PolarHBondContact O-N 3.19Å; E83-E86 WeakPolarHBondContact O-CB 3.32Å; E83-E86 PolarHBondContact O-N 2.86Å; E86-R88 PolarHBondContact O-N 3.32Å; E86-F126 HydrophobicContact CB-CD1 4.18Å; E86-F126 HydrophobicContact CB-CE1 4Å; E86-F126 HydrophobicContact CB-CZ 4.19Å; E86-F126 HydrophobicContact CG-CD1 4.07Å; E86-F126 HydrophobicContact CG-CE1 3.95Å; E86-K138 WeakPolarHBondContact OE2-CD 3.5Å; E86-K138 IonicContact OE2-NZ 2.74Å; E86-K138 PolarHBondContact OE2-NZ 3.45Å
87L85.6Confident87.6Confident122 Ų12245.7 Ų45.764%0.63923%0.234SC*.THydrogen-bonded Turntrans-73.7-1.7175.3-67.9172.5000113.8E83 L84 I85 E89E83-L87 WeakPolarHBondContact O-CB 3.05Å; E83-L87 WeakPolarHBondContact O-CG 3.34Å; E83-L87 PolarHBondContact O-N 3.33Å; L84-L87 PolarHBondContact O-N 2.97Å; I85-L87 VanDerWaalsContact C-N 3.32Å; I85-L87 PolarHBondContact O-N 3.37Å; L87-E89 PolarHBondContact O-N 3.2Å
88R84Confident87.6Confident170 Ų17051.7 Ų51.764%0.64226%0.257SS*.THydrogen-bonded Turntrans60.721.8-175.1-62.6-169.3175.2-108.91.2115.1L84 I85 E86 L90 S124L84-R88 PolarHBondContact O-N 3.34Å; I85-R88 WeakPolarHBondContact O-CA 3.01Å; I85-R88 PolarHBondContact O-N 3.44Å; E86-R88 PolarHBondContact O-N 3.32Å; R88-L90 PolarHBondContact O-N 3.28Å; R88-S124 PolarHBondContact NH1-O 3.35Å
89E86.7Confident87.6Confident114 Ų11457.9 Ų57.953%0.53329%0.286SS..  trans-84.262.9173.3-73.2-66168.600110.9L84 L87 G91 A92 A93L84-E89 HydrophobicContact CD2-CB 4.24Å; L84-E89 PolarHBondContact O-N 2.96Å; L87-E89 PolarHBondContact O-N 3.2Å; E89-G91 PolarHBondContact O-N 2.83Å; E89-A92 HydrophobicContact CB-CB 4.35Å; E89-A92 PolarHBondContact O-N 3.21Å; E89-A93 PolarHBondContact O-N 2.98Å
90L86.4Confident87.4Confident60 Ų6059 Ų5931%0.31429%0.293SS..Hα-helixtrans-63.4-29.5-173.1-59.2178.1000113R88 R94 L121R88-L90 PolarHBondContact O-N 3.28Å; L90-R94 WeakPolarHBondContact O-CB 3.4Å; L90-R94 WeakPolarHBondContact O-CG 3.24Å; L90-R94 PolarHBondContact O-N 2.81Å; L90-L121 HydrophobicContact CD2-CD2 4.29Å
91G86.7Confident87.2Confident57 Ų5764.7 Ų64.759%0.58832%0.323SS*.Hα-helixtrans-65.8-50.217700000111.9E89 R94 S95E89-G91 PolarHBondContact O-N 2.83Å; G91-R94 PolarHBondContact O-N 3.15Å; G91-S95 PolarHBondContact O-N 3.21Å
92A86.9Confident87.1Confident45 Ų4565.6 Ų65.637%0.37233%0.329SS..Hα-helixtrans-63.2-45.5177.400000111.2L84 E89 R94 S95 L96L84-A92 HydrophobicContact CD1-CB 4.2Å; L84-A92 HydrophobicContact CD2-CB 4.44Å; E89-A92 HydrophobicContact CB-CB 4.35Å; E89-A92 PolarHBondContact O-N 3.21Å; A92-R94 PolarHBondContact O-N 3.26Å; A92-S95 PolarHBondContact O-N 2.93Å; A92-L96 WeakPolarHBondContact O-CB 3.21Å; A92-L96 PolarHBondContact O-N 3.01Å
93A87.9Confident87.1Confident0 Ų065.5 Ų65.50%033%0.328CS..Hα-helixtrans-61.2-42.117900000112.5L84 I85 E89 L96 L97 L121L84-A93 HydrophobicContact CB-CB 3.78Å; L84-A93 HydrophobicContact CD1-CB 4.41Å; I85-A93 HydrophobicContact CG1-CB 4.18Å; E89-A93 PolarHBondContact O-N 2.98Å; A93-L96 PolarHBondContact O-N 3Å; A93-L97 WeakPolarHBondContact O-CB 3.49Å; A93-L97 PolarHBondContact O-N 2.86Å; A93-L121 HydrophobicContact CB-CD2 3.52Å
94R88.5Confident87.1Confident122 Ų12268.6 Ų68.646%0.4634%0.344SS..Hα-helixtrans-66-39.5174.8-75.2173.2-174.9177.33.3112.7L90 G91 A92 R98 L121L90-R94 WeakPolarHBondContact O-CB 3.4Å; L90-R94 WeakPolarHBondContact O-CG 3.24Å; L90-R94 PolarHBondContact O-N 2.81Å; G91-R94 PolarHBondContact O-N 3.15Å; A92-R94 PolarHBondContact O-N 3.26Å; R94-R98 WeakPolarHBondContact O-CG 3.2Å; R94-R98 PolarHBondContact O-N 2.76Å; R94-L121 HydrophobicContact CG-CD1 4.38Å; R94-L121 HydrophobicContact CG-CD2 4.21Å; R94-L121 PolarHBondContact NH2-O 3.01Å
95S89.8Confident87.1Confident47 Ų4770 Ų7033%0.32935%0.351SS..Hα-helixtrans-63-48.1177.3-156.40000110.3G91 A92 L97 R98 Q99G91-S95 PolarHBondContact O-N 3.21Å; A92-S95 PolarHBondContact O-N 2.93Å; S95-L97 PolarHBondContact O-N 3.19Å; S95-R98 PolarHBondContact O-N 3.29Å; S95-Q99 VanDerWaalsContact O-CB 3.25Å; S95-Q99 WeakPolarHBondContact O-CB 3.49Å; S95-Q99 WeakPolarHBondContact O-CG 3.4Å; S95-Q99 PolarHBondContact O-N 3.06Å; S95-Q99 VanDerWaalsContact OG-CD 3.22Å; S95-Q99 PolarHBondContact OG-NE2 3.06Å; S95-Q99 PolarHBondContact OG-OE1 3.44Å
96L88.4Confident87.2Confident27 Ų2769.8 Ų69.814%0.14135%0.35CS..Hα-helixtrans-63.5-43.2-179.2-164.9163.1000111.4Y77 V80 V81 L84 A92 A93 R98 T100 M103Y77-L96 HydrophobicContact CD1-CD2 3.6Å; Y77-L96 HydrophobicContact CD1-CG 4.3Å; Y77-L96 HydrophobicContact CE1-CD2 4.36Å; V80-L96 HydrophobicContact CB-CD1 4.48Å; V80-L96 HydrophobicContact CG1-CD1 3.68Å; V81-L96 HydrophobicContact CG2-CD2 3.48Å; V81-L96 VanDerWaalsContact CG2-CD2 3.48Å; V81-L96 HydrophobicContact CG2-CG 4.42Å; L84-L96 HydrophobicContact CD1-CD1 3.97Å; A92-L96 WeakPolarHBondContact O-CB 3.21Å; A92-L96 PolarHBondContact O-N 3.01Å; A93-L96 PolarHBondContact O-N 3Å; L96-R98 VanDerWaalsContact C-N 3.27Å; L96-R98 PolarHBondContact O-N 3.44Å; L96-T100 HydrophobicContact CD2-CG2 4.05Å; L96-T100 HydrophobicContact CG-CG2 3.98Å; L96-T100 WeakPolarHBondContact O-CB 3.38Å; L96-T100 VanDerWaalsContact O-CG2 3.28Å; L96-T100 WeakPolarHBondContact O-CG2 3.28Å; L96-T100 PolarHBondContact O-N 3.18Å; L96-T100 PolarHBondContact O-OG1 2.95Å; L96-M103 HydrophobicContact CD2-CG 4.48Å
97L88.1Confident87.3Confident3 Ų371.5 Ų71.52%0.01636%0.356CS..Hα-helixtrans-64.6-26.3177.8-166.9110.6000113.9V81 A93 S95 M103 Y114 L117 E118 L121V81-L97 HydrophobicContact CG1-CD1 4.16Å; A93-L97 WeakPolarHBondContact O-CB 3.49Å; A93-L97 PolarHBondContact O-N 2.86Å; S95-L97 PolarHBondContact O-N 3.19Å; L97-M103 HydrophobicContact CD1-SD 4.26Å; L97-M103 WeakPolarHBondContact O-CB 3.49Å; L97-Y114 HydrophobicContact CD1-CE2 4.29Å; L97-Y114 HydrophobicContact CD2-CE1 4.12Å; L97-Y114 HydrophobicContact CD2-CE2 3.83Å; L97-Y114 WeakPolarHBondContact CD2-OH 3.43Å; L97-Y114 HydrophobicContact CG-CE2 3.74Å; L97-Y114 PolarHBondContact O-OH 2.77Å; L97-L117 HydrophobicContact CD1-CB 3.73Å; L97-L117 HydrophobicContact CD1-CD1 4.03Å; L97-E118 HydrophobicContact CD2-CG 3.65Å; L97-L121 HydrophobicContact CB-CD1 4.39Å; L97-L121 HydrophobicContact CD1-CD1 4.15Å; L97-L121 HydrophobicContact CD2-CD1 4.09Å; L97-L121 HydrophobicContact CG-CD1 4.45Å
98R88Confident87.4Confident173 Ų17372.9 Ų72.965%0.65336%0.359SS*.Hα-helixtrans-100-31.1-177.4-71.6-176.4176.8-175.7-0.3114.4R94 S95 L96R94-R98 WeakPolarHBondContact O-CG 3.2Å; R94-R98 PolarHBondContact O-N 2.76Å; S95-R98 PolarHBondContact O-N 3.29Å; L96-R98 VanDerWaalsContact C-N 3.27Å; L96-R98 PolarHBondContact O-N 3.44Å
99Q89Confident87.6Confident144 Ų14469.1 Ų69.167%0.67336%0.355SS*.Hα-helixtrans-100.8-12.6-170-65.2177.1-9.800113.8S95S95-Q99 VanDerWaalsContact O-CB 3.25Å; S95-Q99 WeakPolarHBondContact O-CB 3.49Å; S95-Q99 WeakPolarHBondContact O-CG 3.4Å; S95-Q99 PolarHBondContact O-N 3.06Å; S95-Q99 VanDerWaalsContact OG-CD 3.22Å; S95-Q99 PolarHBondContact OG-NE2 3.06Å; S95-Q99 PolarHBondContact OG-OE1 3.44Å
100T86.9Confident87.6Confident24 Ų2467.9 Ų67.915%0.14735%0.349CS..  trans-93.3134.2-176.861.80000111.9Y77 L96 M103 I104Y77-T100 HydrophobicContact CD1-CG2 4.22Å; Y77-T100 HydrophobicContact CE1-CG2 3.83Å; L96-T100 HydrophobicContact CD2-CG2 4.05Å; L96-T100 HydrophobicContact CG-CG2 3.98Å; L96-T100 WeakPolarHBondContact O-CB 3.38Å; L96-T100 VanDerWaalsContact O-CG2 3.28Å; L96-T100 WeakPolarHBondContact O-CG2 3.28Å; L96-T100 PolarHBondContact O-N 3.18Å; L96-T100 PolarHBondContact O-OG1 2.95Å; T100-M103 PolarHBondContact O-N 3.26Å; T100-M103 VanDerWaalsContact O-N 3.14Å; T100-M103 WeakPolarHBondContact OG1-CB 3.49Å; T100-M103 WeakPolarHBondContact OG1-CG 3.42Å; T100-I104 WeakPolarHBondContact O-CG1 3.19Å; T100-I104 PolarHBondContact O-N 3.39Å
101D85.4Confident87.7Confident124 Ų12468.3 Ų68.366%0.66336%0.356SS*.Hα-helixtrans-58.2-41-179.4-57.9-46.2000113.4M103 I104 M105D101-M103 VanDerWaalsContact C-N 3.27Å; D101-M103 PolarHBondContact O-N 2.89Å; D101-I104 PolarHBondContact O-N 2.87Å; D101-M105 VanDerWaalsContact O-CG 3.32Å; D101-M105 WeakPolarHBondContact O-CG 3.4Å; D101-M105 PolarHBondContact O-N 3.11Å
102P86.4Confident87.7Confident19 Ų1973.5 Ų73.512%0.12337%0.365CS..Hα-helixtrans-61.1-34176.6-26.638000113.3L73 I74 Y77 M105 L106L73-P102 HydrophobicContact CB-CB 4.3Å; L73-P102 HydrophobicContact CB-CG 4.16Å; I74-P102 HydrophobicContact CG1-CB 4.16Å; I74-P102 WeakPolarHBondContact CG1-O 3.39Å; Y77-P102 HydrophobicContact CD2-CB 3.96Å; Y77-P102 HydrophobicContact CD2-CG 3.77Å; Y77-P102 HydrophobicContact CE2-CB 4.45Å; Y77-P102 HydrophobicContact CE2-CG 3.75Å; Y77-P102 HydrophobicContact CG-CB 4.46Å; P102-M105 WeakPolarHBondContact O-CB 3.43Å; P102-M105 PolarHBondContact O-N 3.25Å; P102-L106 PolarHBondContact O-N 3.23Å
103M87.4Confident87.7Confident0 Ų074.7 Ų74.70%036%0.36CS..Hα-helixtrans-74.5-34178.3-72.5-70.1154.200112.4E78 V81 L96 L97 T100 D101 M105 L106 K107 Y114 L117E78-M103 HydrophobicContact CB-CE 4.08Å; V81-M103 HydrophobicContact CG2-CE 4.35Å; L96-M103 HydrophobicContact CD2-CG 4.48Å; L97-M103 HydrophobicContact CD1-SD 4.26Å; L97-M103 WeakPolarHBondContact O-CB 3.49Å; T100-M103 PolarHBondContact O-N 3.26Å; T100-M103 VanDerWaalsContact O-N 3.14Å; T100-M103 WeakPolarHBondContact OG1-CB 3.49Å; T100-M103 WeakPolarHBondContact OG1-CG 3.42Å; D101-M103 VanDerWaalsContact C-N 3.27Å; D101-M103 PolarHBondContact O-N 2.89Å; M103-M105 VanDerWaalsContact C-N 3.31Å; M103-L106 PolarHBondContact O-N 2.94Å; M103-L106 HydrophobicContact SD-CD2 3.91Å; M103-K107 PolarHBondContact O-N 2.94Å; M103-Y114 HydrophobicContact CB-CE2 4.48Å; M103-L117 HydrophobicContact SD-CD1 4.45Å
104I87.5Confident87.7Confident71 Ų7175.3 Ų75.336%0.36436%0.362SS..Hα-helixtrans-64.6-41.3171.9-62.2167.5000109.7T100 D101 K107 Q108T100-I104 WeakPolarHBondContact O-CG1 3.19Å; T100-I104 PolarHBondContact O-N 3.39Å; D101-I104 PolarHBondContact O-N 2.87Å; I104-K107 WeakPolarHBondContact O-CB 3.47Å; I104-K107 PolarHBondContact O-N 3.36Å; I104-Q108 WeakPolarHBondContact O-CG 3.41Å; I104-Q108 PolarHBondContact O-N 3.14Å
105M86.8Confident87.7Confident63 Ų6373.6 Ų73.631%0.3136%0.361SS..Hα-helixtrans-64.9-41174.1-68.9-105.8-79.900112.2D70 I74 D101 P102 M103 K107 Q108 T109D70-M105 HydrophobicContact CB-CE 3.72Å; D70-M105 WeakPolarHBondContact OD1-CE 3.37Å; D70-M105 WeakPolarHBondContact OD2-CE 3.42Å; I74-M105 HydrophobicContact CD1-CB 4.45Å; D101-M105 VanDerWaalsContact O-CG 3.32Å; D101-M105 WeakPolarHBondContact O-CG 3.4Å; D101-M105 PolarHBondContact O-N 3.11Å; P102-M105 WeakPolarHBondContact O-CB 3.43Å; P102-M105 PolarHBondContact O-N 3.25Å; M103-M105 VanDerWaalsContact C-N 3.31Å; M105-K107 VanDerWaalsContact C-N 3.31Å; M105-K107 PolarHBondContact O-N 3.14Å; M105-Q108 PolarHBondContact O-N 3.32Å; M105-Q108 VanDerWaalsContact O-N 3.17Å; M105-T109 WeakPolarHBondContact O-CB 3.43Å; M105-T109 WeakPolarHBondContact O-CG2 3.33Å; M105-T109 PolarHBondContact O-N 2.95Å; M105-T109 PolarHBondContact O-OG1 2.81Å
106L88.7Confident87.6Confident0 Ų074.5 Ų74.50%036%0.36CS..Hα-helixtrans-58.2-43.5173.617869.8000111I74 P102 M103 Q108 T109 Q110 R113 Y114 L117I74-L106 HydrophobicContact CG1-CB 4.43Å; I74-L106 HydrophobicContact CG2-CB 4.05Å; I74-L106 HydrophobicContact CG2-CD1 3.53Å; I74-L106 HydrophobicContact CG2-CD2 4.33Å; I74-L106 HydrophobicContact CG2-CG 4.15Å; P102-L106 PolarHBondContact O-N 3.23Å; M103-L106 PolarHBondContact O-N 2.94Å; M103-L106 HydrophobicContact SD-CD2 3.91Å; L106-Q108 VanDerWaalsContact C-N 3.27Å; L106-Q108 PolarHBondContact O-N 3.08Å; L106-T109 PolarHBondContact O-N 2.72Å; L106-Q110 HydrophobicContact CD1-CB 3.95Å; L106-Q110 CarbonylContact O-C 3.5Å; L106-Q110 WeakPolarHBondContact O-CA 3.47Å; L106-Q110 PolarHBondContact O-N 2.9Å; L106-R113 HydrophobicContact CD1-CB 4.05Å; L106-Y114 HydrophobicContact CD2-CD2 4.4Å; L106-L117 HydrophobicContact CD2-CD1 3.97Å
107K88.2Confident87.4Confident117 Ų11773.3 Ų73.351%0.50935%0.354SS..Hα-helixtrans-60.5-35.5177.3-173.6176.9-1781710113M103 I104 M105 Y114M103-K107 PolarHBondContact O-N 2.94Å; I104-K107 WeakPolarHBondContact O-CB 3.47Å; I104-K107 PolarHBondContact O-N 3.36Å; M105-K107 VanDerWaalsContact C-N 3.31Å; M105-K107 PolarHBondContact O-N 3.14Å; K107-Y114 HydrophobicContact CB-CD1 4.28Å; K107-Y114 HydrophobicContact CB-CD2 3.84Å; K107-Y114 HydrophobicContact CB-CE2 4.12Å; K107-Y114 HydrophobicContact CB-CG 3.91Å; K107-Y114 HydrophobicContact CD-CD1 4.19Å; K107-Y114 HydrophobicContact CD-CE1 3.88Å; K107-Y114 HydrophobicContact CG-CD1 4.02Å; K107-Y114 HydrophobicContact CG-CD2 4.47Å; K107-Y114 HydrophobicContact CG-CE1 4.23Å; K107-Y114 HydrophobicContact CG-CG 4.14Å
108Q87.4Confident87.3Confident150 Ų15076.6 Ų76.670%0.70137%0.369SS*.Hα-helixtrans-79.7-38.9179.6-67.6177.77.300112.5I104 M105 L106I104-Q108 WeakPolarHBondContact O-CG 3.41Å; I104-Q108 PolarHBondContact O-N 3.14Å; M105-Q108 PolarHBondContact O-N 3.32Å; M105-Q108 VanDerWaalsContact O-N 3.17Å; L106-Q108 VanDerWaalsContact C-N 3.27Å; L106-Q108 PolarHBondContact O-N 3.08Å
109T87.8Confident87.2Confident92 Ų9272.6 Ų72.656%0.56436%0.361SS*.Hα-helixtrans-87.6-39.4-174.254.20000113.2M105 L106M105-T109 WeakPolarHBondContact O-CB 3.43Å; M105-T109 WeakPolarHBondContact O-CG2 3.33Å; M105-T109 PolarHBondContact O-N 2.95Å; M105-T109 PolarHBondContact O-OG1 2.81Å; L106-T109 PolarHBondContact O-N 2.72Å
110Q88.2Confident87Confident88 Ų8866.1 Ų66.141%0.41133%0.331SS..  trans-140.575-173.8-65.2-178.2-7.600110.6L106 E112 R113 Y114L106-Q110 HydrophobicContact CD1-CB 3.95Å; L106-Q110 CarbonylContact O-C 3.5Å; L106-Q110 WeakPolarHBondContact O-CA 3.47Å; L106-Q110 PolarHBondContact O-N 2.9Å; Q110-E112 VanDerWaalsContact C-N 3.28Å; Q110-E112 PolarHBondContact O-N 3.07Å; Q110-R113 HydrophobicContact CB-CB 4.49Å; Q110-R113 PolarHBondContact O-N 3.37Å; Q110-Y114 PolarHBondContact O-N 2.83Å
111P87.4Confident86.8Confident69 Ų6965.3 Ų65.345%0.44833%0.325SS..Hα-helixtrans-63.2-31-17424.7-34.3000113.3R113 Y114 I115P111-R113 PolarHBondContact O-N 2.92Å; P111-Y114 PolarHBondContact O-N 3.03Å; P111-I115 WeakPolarHBondContact O-CD1 3.26Å; P111-I115 VanDerWaalsContact O-CG1 3.24Å; P111-I115 WeakPolarHBondContact O-CG1 3.23Å; P111-I115 PolarHBondContact O-N 3.31Å
112E87.5Confident86.6Confident166 Ų16663.2 Ų63.278%0.77633%0.325SS*.Hα-helixtrans-62.6-42.1179.2-64.2-175.4169.800112.5Q110 I115 H116Q110-E112 VanDerWaalsContact C-N 3.28Å; Q110-E112 PolarHBondContact O-N 3.07Å; E112-I115 PolarHBondContact O-N 3.07Å; E112-H116 WeakPolarHBondContact O-CB 3.15Å; E112-H116 PolarHBondContact O-N 3.29Å
113R86.8Confident86.3Confident70 Ų7067.1 Ų67.126%0.26434%0.338SS..Hα-helixtrans-65.4-40.5175.8-77.1175.275.3173.46.1111.7D75 E78 L106 Q110 P111 H116 L117D75-R113 IonicContact OD1-CZ 3.29Å; D75-R113 IonicContact OD1-NH1 2.9Å; D75-R113 PolarHBondContact OD1-NH1 3.48Å; D75-R113 IonicContact OD1-NH2 3.75Å; D75-R113 PolarHBondContact OD1-NH2 3.47Å; E78-R113 IonicContact OE1-NH2 3.4Å; E78-R113 IonicContact OE2-CZ 3.85Å; E78-R113 IonicContact OE2-NE 3.68Å; E78-R113 PolarHBondContact OE2-NE 3.41Å; E78-R113 IonicContact OE2-NH2 3.44Å; E78-R113 PolarHBondContact OE2-NH2 2.89Å; L106-R113 HydrophobicContact CD1-CB 4.05Å; Q110-R113 HydrophobicContact CB-CB 4.49Å; Q110-R113 PolarHBondContact O-N 3.37Å; P111-R113 PolarHBondContact O-N 2.92Å; R113-H116 WeakPolarHBondContact O-CB 3.39Å; R113-H116 PolarHBondContact O-N 2.95Å; R113-L117 WeakPolarHBondContact O-CG 3.44Å; R113-L117 PolarHBondContact O-N 3.05Å; R113-L117 VanDerWaalsContact O-N 3.11Å
114Y88.3Confident85.5Confident13 Ų1371.7 Ų71.75%0.05137%0.369CS..Hα-helixtrans-64.3-45.1177.6-171.4-90.2000111.7L97 M103 L106 K107 Q110 P111 H116 L117 E118L97-Y114 HydrophobicContact CD1-CE2 4.29Å; L97-Y114 HydrophobicContact CD2-CE1 4.12Å; L97-Y114 HydrophobicContact CD2-CE2 3.83Å; L97-Y114 WeakPolarHBondContact CD2-OH 3.43Å; L97-Y114 HydrophobicContact CG-CE2 3.74Å; L97-Y114 PolarHBondContact O-OH 2.77Å; M103-Y114 HydrophobicContact CB-CE2 4.48Å; L106-Y114 HydrophobicContact CD2-CD2 4.4Å; K107-Y114 HydrophobicContact CB-CD1 4.28Å; K107-Y114 HydrophobicContact CB-CD2 3.84Å; K107-Y114 HydrophobicContact CB-CE2 4.12Å; K107-Y114 HydrophobicContact CB-CG 3.91Å; K107-Y114 HydrophobicContact CD-CD1 4.19Å; K107-Y114 HydrophobicContact CD-CE1 3.88Å; K107-Y114 HydrophobicContact CG-CD1 4.02Å; K107-Y114 HydrophobicContact CG-CD2 4.47Å; K107-Y114 HydrophobicContact CG-CE1 4.23Å; K107-Y114 HydrophobicContact CG-CG 4.14Å; Q110-Y114 PolarHBondContact O-N 2.83Å; P111-Y114 PolarHBondContact O-N 3.03Å; Y114-H116 VanDerWaalsContact C-N 3.29Å; Y114-H116 PolarHBondContact O-N 2.86Å; Y114-L117 PolarHBondContact O-N 3.08Å; Y114-E118 HydrophobicContact CD1-CG 4.17Å; Y114-E118 VanDerWaalsContact CE1-CD 3.48Å; Y114-E118 HydrophobicContact CE1-CG 3.83Å; Y114-E118 PolarHBondContact O-N 2.97Å
115I87.1Confident84.9Confident86 Ų8674.8 Ų74.844%0.44138%0.377SS..Hα-helixtrans-63.2-38.2176.9-67.6163.2000110.7P111 E112 L117 E118 N119P111-I115 WeakPolarHBondContact O-CD1 3.26Å; P111-I115 VanDerWaalsContact O-CG1 3.24Å; P111-I115 WeakPolarHBondContact O-CG1 3.23Å; P111-I115 PolarHBondContact O-N 3.31Å; E112-I115 PolarHBondContact O-N 3.07Å; I115-L117 PolarHBondContact O-N 2.92Å; I115-E118 PolarHBondContact O-N 2.9Å; I115-N119 WeakPolarHBondContact O-CB 3.37Å; I115-N119 VanDerWaalsContact O-CG 3.22Å; I115-N119 PolarHBondContact O-N 3.14Å; I115-N119 PolarHBondContact O-ND2 2.97Å
116H87.4Confident84.5Confident66 Ų6673.8 Ų73.831%0.30637%0.371SS..Hα-helixtrans-58.7-46174.1-173.859.8000112.1E112 R113 Y114 N119 L120 E130E112-H116 WeakPolarHBondContact O-CB 3.15Å; E112-H116 PolarHBondContact O-N 3.29Å; R113-H116 WeakPolarHBondContact O-CB 3.39Å; R113-H116 PolarHBondContact O-N 2.95Å; Y114-H116 VanDerWaalsContact C-N 3.29Å; Y114-H116 PolarHBondContact O-N 2.86Å; H116-N119 PolarHBondContact O-N 3.29Å; H116-L120 WeakPolarHBondContact O-CG 3.37Å; H116-L120 PolarHBondContact O-N 3.03Å; H116-E130 PolarHBondContact CE1-O 2.93Å; H116-E130 VanDerWaalsContact CE1-O 3.31Å; H116-E130 PolarHBondContact NE2-O 3.28Å
117L84.9Confident84Confident1 Ų176.2 Ų76.21%0.00538%0.384CS..Hα-helixtrans-64.4-40.2175.8-66.1167000112.6E78 V81 L82 L97 M103 L106 R113 Y114 I115 N119 L120 L121E78-L117 HydrophobicContact CG-CD1 3.81Å; E78-L117 HydrophobicContact CG-CD2 3.89Å; E78-L117 HydrophobicContact CG-CG 4.36Å; V81-L117 HydrophobicContact CG1-CD2 4.35Å; L82-L117 HydrophobicContact CD2-CD2 3.77Å; L82-L117 HydrophobicContact CG-CD2 4.07Å; L97-L117 HydrophobicContact CD1-CB 3.73Å; L97-L117 HydrophobicContact CD1-CD1 4.03Å; M103-L117 HydrophobicContact SD-CD1 4.45Å; L106-L117 HydrophobicContact CD2-CD1 3.97Å; R113-L117 WeakPolarHBondContact O-CG 3.44Å; R113-L117 PolarHBondContact O-N 3.05Å; R113-L117 VanDerWaalsContact O-N 3.11Å; Y114-L117 PolarHBondContact O-N 3.08Å; I115-L117 PolarHBondContact O-N 2.92Å; L117-N119 VanDerWaalsContact C-N 3.35Å; L117-L120 PolarHBondContact O-N 2.77Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 3.14Å
118E85.8Confident83.4Confident72 Ų7274.2 Ų74.234%0.33638%0.384SS..Hα-helixtrans-63.4-40.1174.6-76.7-163.5139.300112.1L97 Y114 I115 L121 A122L97-E118 HydrophobicContact CD2-CG 3.65Å; Y114-E118 HydrophobicContact CD1-CG 4.17Å; Y114-E118 VanDerWaalsContact CE1-CD 3.48Å; Y114-E118 HydrophobicContact CE1-CG 3.83Å; Y114-E118 PolarHBondContact O-N 2.97Å; I115-E118 PolarHBondContact O-N 2.9Å; E118-L121 WeakPolarHBondContact O-CB 3.24Å; E118-L121 PolarHBondContact O-N 3.19Å; E118-A122 WeakPolarHBondContact O-CB 3.21Å; E118-A122 PolarHBondContact O-N 2.86Å
119N86.6Confident82.8Confident90 Ų9077.4 Ų77.448%0.48139%0.389SS..Hα-helixtrans-63.8-41175.8-73.5-25.6000111.6I115 H116 L117 L121 A122 R123I115-N119 WeakPolarHBondContact O-CB 3.37Å; I115-N119 VanDerWaalsContact O-CG 3.22Å; I115-N119 PolarHBondContact O-N 3.14Å; I115-N119 PolarHBondContact O-ND2 2.97Å; H116-N119 PolarHBondContact O-N 3.29Å; L117-N119 VanDerWaalsContact C-N 3.35Å; N119-L121 VanDerWaalsContact C-N 3.34Å; N119-A122 PolarHBondContact O-N 3.26Å; N119-R123 WeakPolarHBondContact O-CG 3.34Å; N119-R123 PolarHBondContact O-N 3.43Å
120L83.9Confident82.2Confident8 Ų876 Ų764%0.04238%0.376CS..Hα-helixtrans-63.8-37.9174.3-70.5171.9000111.9L82 I85 H116 L117 A122 R123 E130 A131L82-L120 HydrophobicContact CD2-CD1 3.78Å; I85-L120 HydrophobicContact CD1-CB 4.18Å; H116-L120 WeakPolarHBondContact O-CG 3.37Å; H116-L120 PolarHBondContact O-N 3.03Å; L117-L120 PolarHBondContact O-N 2.77Å; L120-A122 VanDerWaalsContact C-N 3.3Å; L120-A122 PolarHBondContact O-N 2.77Å; L120-R123 PolarHBondContact O-N 3.12Å; L120-E130 HydrophobicContact CD2-CB 4.26Å; L120-A131 HydrophobicContact CD1-CB 4.48Å
121L83.4Confident81.5Confident6 Ų672 Ų723%0.03136%0.358CS..Hα-helixtrans-70.3-21.6175.8-79.1165000114.6I85 L90 A93 R94 L97 L117 E118 N119I85-L121 HydrophobicContact CD1-CD2 3.88Å; I85-L121 HydrophobicContact CD1-CG 3.77Å; I85-L121 HydrophobicContact CG1-CD2 3.54Å; I85-L121 HydrophobicContact CG1-CG 4.03Å; L90-L121 HydrophobicContact CD2-CD2 4.29Å; A93-L121 HydrophobicContact CB-CD2 3.52Å; R94-L121 HydrophobicContact CG-CD1 4.38Å; R94-L121 HydrophobicContact CG-CD2 4.21Å; R94-L121 PolarHBondContact NH2-O 3.01Å; L97-L121 HydrophobicContact CB-CD1 4.39Å; L97-L121 HydrophobicContact CD1-CD1 4.15Å; L97-L121 HydrophobicContact CD2-CD1 4.09Å; L97-L121 HydrophobicContact CG-CD1 4.45Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 3.14Å; E118-L121 WeakPolarHBondContact O-CB 3.24Å; E118-L121 PolarHBondContact O-N 3.19Å; N119-L121 VanDerWaalsContact C-N 3.34Å
122A81.6Confident81.1Confident81 Ų8169.4 Ų69.467%0.66934%0.339SS*.Hα-helixtrans-86.6-19.4179.900000112.9E118 N119 L120E118-A122 WeakPolarHBondContact O-CB 3.21Å; E118-A122 PolarHBondContact O-N 2.86Å; N119-A122 PolarHBondContact O-N 3.26Å; L120-A122 VanDerWaalsContact C-N 3.3Å; L120-A122 PolarHBondContact O-N 2.77Å
123R79.4Confident80.1Confident101 Ų10164.9 Ų64.938%0.38132%0.324SS..SBendtrans-80.4153.9-178.3-72.4-174.5-177.6-164.512112.6N119 L120 E130N119-R123 WeakPolarHBondContact O-CG 3.34Å; N119-R123 PolarHBondContact O-N 3.43Å; L120-R123 PolarHBondContact O-N 3.12Å; R123-E130 IonicContact CZ-OE1 3.44Å; R123-E130 IonicContact CZ-OE2 2.71Å; R123-E130 IonicContact NE-OE2 3.86Å; R123-E130 IonicContact NH1-OE1 3.68Å; R123-E130 PolarHBondContact NH1-OE1 3Å; R123-E130 IonicContact NH1-OE2 2.76Å; R123-E130 PolarHBondContact NH1-OE2 3.29Å; R123-E130 IonicContact NH2-OE1 3.78Å; R123-E130 PolarHBondContact NH2-OE1 3.46Å; R123-E130 VanDerWaalsContact NH2-OE1 3.17Å; R123-E130 IonicContact NH2-OE2 3.58Å; R123-E130 PolarHBondContact NH2-OE2 3.03Å
124S71.1Confident78.9Confident95 Ų9569.6 Ų69.666%0.66436%0.355SS*.SBendtrans-83.2-16.9-178.555.40000114R88R88-S124 PolarHBondContact NH1-O 3.35Å
125Y74.2Confident77.6Confident136 Ų13672.3 Ų72.353%0.53339%0.387SS..SBendtrans-134.7144.6177.560.9-89.1000110.2D127Y125-D127 HydrophobicContact CE2-CB 4.49Å
126F79.6Confident76.9Confident42 Ų4270.4 Ų70.418%0.18438%0.381CS..  trans-85.7123.9174.3-179.4-106.3000109I85 E86 P128 A131 Y132I85-F126 HydrophobicContact CB-CD2 4.28Å; I85-F126 HydrophobicContact CB-CE2 4.47Å; I85-F126 HydrophobicContact CG2-CD2 3.59Å; I85-F126 HydrophobicContact CG2-CE2 4.2Å; I85-F126 HydrophobicContact CG2-CG 4.49Å; E86-F126 HydrophobicContact CB-CD1 4.18Å; E86-F126 HydrophobicContact CB-CE1 4Å; E86-F126 HydrophobicContact CB-CZ 4.19Å; E86-F126 HydrophobicContact CG-CD1 4.07Å; E86-F126 HydrophobicContact CG-CE1 3.95Å; F126-P128 HydrophobicContact CD1-CG 4.17Å; F126-P128 HydrophobicContact CE1-CB 4.41Å; F126-P128 HydrophobicContact CE1-CG 4.1Å; F126-A131 HydrophobicContact CD2-CB 4.5Å; F126-A131 HydrophobicContact CE1-CB 4.26Å; F126-A131 HydrophobicContact CE2-CB 3.47Å; F126-A131 VanDerWaalsContact CE2-CB 3.47Å; F126-A131 HydrophobicContact CZ-CB 3.33Å; F126-Y132 HydrophobicContact CZ-CE2 4.35Å
127D78.1Confident76.6Confident51 Ų5169.4 Ų69.427%0.27338%0.382SS..  trans-104.2109.8172.3-168.2-19.5000109.7Y125 R129 E130 A131Y125-D127 HydrophobicContact CE2-CB 4.49Å; D127-R129 PolarHBondContact O-N 3.35Å; D127-R129 VanDerWaalsContact O-N 3.12Å; D127-R129 WeakPolarHBondContact OD1-CB 3.16Å; D127-R129 PolarHBondContact OD1-N 2.82Å; D127-E130 HydrophobicContact CB-CB 4.45Å; D127-E130 HydrophobicContact CB-CG 4.47Å; D127-E130 PolarHBondContact O-N 3.31Å; D127-A131 PolarHBondContact O-N 3.31Å; D127-A131 VanDerWaalsContact O-N 3.11Å
128P75.1Confident76.5Confident76 Ų7671.8 Ų71.849%0.49439%0.392SS..Hα-helixtrans-57.7-24.6178.6-2635.1000114.2F126 Y132F126-P128 HydrophobicContact CD1-CG 4.17Å; F126-P128 HydrophobicContact CE1-CB 4.41Å; F126-P128 HydrophobicContact CE1-CG 4.1Å; P128-Y132 WeakPolarHBondContact O-CD2 3.37Å; P128-Y132 PolarHBondContact O-N 2.97Å
129R75.6Confident76.4Confident217 Ų21775.2 Ų75.282%0.81941%0.408SS*.Hα-helixtrans-77.1-30.5-178.7-64.3-179.9175.9-176-0.8113D127D127-R129 PolarHBondContact O-N 3.35Å; D127-R129 VanDerWaalsContact O-N 3.12Å; D127-R129 WeakPolarHBondContact OD1-CB 3.16Å; D127-R129 PolarHBondContact OD1-N 2.82Å
130E74.3Confident76.4Confident63 Ų6378 Ų7829%0.29442%0.415SS..Hα-helixtrans-84.5-32174.3-70.6-174.2170.900111.8H116 L120 R123 D127 Y132H116-E130 PolarHBondContact CE1-O 2.93Å; H116-E130 VanDerWaalsContact CE1-O 3.31Å; H116-E130 PolarHBondContact NE2-O 3.28Å; L120-E130 HydrophobicContact CD2-CB 4.26Å; R123-E130 IonicContact CZ-OE1 3.44Å; R123-E130 IonicContact CZ-OE2 2.71Å; R123-E130 IonicContact NE-OE2 3.86Å; R123-E130 IonicContact NH1-OE1 3.68Å; R123-E130 PolarHBondContact NH1-OE1 3Å; R123-E130 IonicContact NH1-OE2 2.76Å; R123-E130 PolarHBondContact NH1-OE2 3.29Å; R123-E130 IonicContact NH2-OE1 3.78Å; R123-E130 PolarHBondContact NH2-OE1 3.46Å; R123-E130 VanDerWaalsContact NH2-OE1 3.17Å; R123-E130 IonicContact NH2-OE2 3.58Å; R123-E130 PolarHBondContact NH2-OE2 3.03Å; D127-E130 HydrophobicContact CB-CB 4.45Å; D127-E130 HydrophobicContact CB-CG 4.47Å; D127-E130 PolarHBondContact O-N 3.31Å; E130-Y132 VanDerWaalsContact C-N 3.31Å
131A73.4Confident76.5Confident2 Ų279.6 Ų79.62%0.01742%0.421CS..Hα-helixtrans-68.1-31.3177.700000113L82 L120 F126 D127L82-A131 HydrophobicContact CD2-CB 4.21Å; L120-A131 HydrophobicContact CD1-CB 4.48Å; F126-A131 HydrophobicContact CD2-CB 4.5Å; F126-A131 HydrophobicContact CE1-CB 4.26Å; F126-A131 HydrophobicContact CE2-CB 3.47Å; F126-A131 VanDerWaalsContact CE2-CB 3.47Å; F126-A131 HydrophobicContact CZ-CB 3.33Å; D127-A131 PolarHBondContact O-N 3.31Å; D127-A131 VanDerWaalsContact O-N 3.11Å
132Y79.2Confident76.7Confident15 Ų1580.7 Ų80.76%0.05943%0.425CS..SBendtrans-125.683.7178.7-58.7-80.9000110.5Q79 L82 F126 P128 E130 S136 K138 R141Q79-Y132 PolarHBondContact NE2-OH 3.06Å; L82-Y132 HydrophobicContact CD1-CE1 4.34Å; F126-Y132 HydrophobicContact CZ-CE2 4.35Å; P128-Y132 WeakPolarHBondContact O-CD2 3.37Å; P128-Y132 PolarHBondContact O-N 2.97Å; E130-Y132 VanDerWaalsContact C-N 3.31Å; Y132-S136 WeakPolarHBondContact CB-O 3.39Å; Y132-K138 HydrophobicContact CE1-CB 4.45Å; Y132-K138 HydrophobicContact CE2-CB 4.29Å; Y132-R141 HydrophobicContact CE1-CB 4.44Å
133P66.1Low77Confident72 Ų7279.6 Ų79.647%0.46841%0.41SS..G310 helixtrans-55147169.6-19.531.8000109.6S136P133-S136 PolarHBondContact O-OG 3.07Å
134D60.9Low77.4Confident168 Ų16877.4 Ų77.490%0.89841%0.414SS*.G310 helixtrans78.413.7177.7-47.2-36.8000117.7S136D134-S136 PolarHBondContact O-N 3.47Å
135G61.5Low78.2Confident70 Ų7073.5 Ų73.572%0.72239%0.385SS*.G310 helixtrans67.519.4178.300000113.1
136S72.7Confident78.9Confident47 Ų4767 Ų6733%0.32936%0.36SS..  trans-66.8140.6166.558.60000109.2Y132 P133 D134Y132-S136 WeakPolarHBondContact CB-O 3.39Å; P133-S136 PolarHBondContact O-OG 3.07Å; D134-S136 PolarHBondContact O-N 3.47Å
137S80.9Confident79.2Confident45 Ų4571.5 Ų71.532%0.31538%0.381SS..  trans-96.5156.1173.264.70000109.6E139 K140 R141S137-E139 PolarHBondContact O-N 3.41Å; S137-K140 PolarHBondContact O-N 3.4Å; S137-K140 WeakPolarHBondContact OG-CG 3.3Å; S137-K140 PolarHBondContact OG-N 3.33Å; S137-R141 PolarHBondContact O-N 3.17Å
138K83.4Confident79.6Confident50 Ų5071.3 Ų71.322%0.21739%0.387CS..Hα-helixtrans-43.1-47.6168.6176.9175.8178.6163.70112.3E83 E86 Y132 R141 R142E83-K138 HydrophobicContact CG-CD 4.46Å; E83-K138 WeakPolarHBondContact OE1-CE 3.25Å; E83-K138 IonicContact OE2-NZ 3.61Å; E86-K138 WeakPolarHBondContact OE2-CD 3.5Å; E86-K138 IonicContact OE2-NZ 2.74Å; E86-K138 PolarHBondContact OE2-NZ 3.45Å; Y132-K138 HydrophobicContact CE1-CB 4.45Å; Y132-K138 HydrophobicContact CE2-CB 4.29Å; K138-R141 PolarHBondContact O-N 3.49Å; K138-R142 WeakPolarHBondContact O-CG 3.34Å; K138-R142 PolarHBondContact O-N 2.69Å
139E84Confident80.1Confident144 Ų14467.7 Ų67.767%0.67336%0.363SS*.Hα-helixtrans-63.9-44.2-179.7-65.4170.5177.600112.7S137 R141 R142 V143S137-E139 PolarHBondContact O-N 3.41Å; E139-R141 VanDerWaalsContact C-N 3.3Å; E139-R141 PolarHBondContact O-N 2.91Å; E139-R142 PolarHBondContact O-N 2.77Å; E139-V143 WeakPolarHBondContact O-CG2 3.38Å; E139-V143 PolarHBondContact O-N 2.85Å
140K85.7Confident80.5Confident148 Ų14858.7 Ų58.764%0.64334%0.335SS*.Hα-helixtrans-62.8-38.7177.5-76.4179.4179.1178.60111.8S137 V143 A144S137-K140 PolarHBondContact O-N 3.4Å; S137-K140 WeakPolarHBondContact OG-CG 3.3Å; S137-K140 PolarHBondContact OG-N 3.33Å; K140-V143 PolarHBondContact O-N 2.73Å; K140-A144 PolarHBondContact O-N 2.87Å
141R85.9Confident80.7Confident43 Ų4359 Ų5916%0.16236%0.355CS..Hα-helixtrans-68.5-41.5177.5-172.9164.2170.6174.68.2111.7E78 Y132 S137 K138 E139 V143 A144 I145E78-R141 VanDerWaalsContact CG-NH2 3.3Å; E78-R141 IonicContact OE1-CZ 2.91Å; E78-R141 IonicContact OE1-NH1 3.12Å; E78-R141 PolarHBondContact OE1-NH1 3.04Å; E78-R141 IonicContact OE1-NH2 3.18Å; E78-R141 PolarHBondContact OE1-NH2 3.04Å; E78-R141 IonicContact OE2-NH2 2.76Å; Y132-R141 HydrophobicContact CE1-CB 4.44Å; S137-R141 PolarHBondContact O-N 3.17Å; K138-R141 PolarHBondContact O-N 3.49Å; E139-R141 VanDerWaalsContact C-N 3.3Å; E139-R141 PolarHBondContact O-N 2.91Å; R141-V143 PolarHBondContact O-N 3.3Å; R141-A144 PolarHBondContact O-N 3.33Å; R141-I145 HydrophobicContact CG-CD1 3.97Å; R141-I145 WeakPolarHBondContact O-CG1 3.42Å; R141-I145 PolarHBondContact O-N 3.18Å
142R87.1Confident80.9Confident28 Ų2863 Ų6311%0.10637%0.374CS..Hα-helixtrans-57.5-46.4172.1-73.9178.8178-168.8-6.4112N52 S53 W56 E83 K138 E139 A144 I145 A146N52-R142 WeakPolarHBondContact O-CD 3.49Å; N52-R142 PolarHBondContact O-NH1 3.5Å; S53-R142 PolarHBondContact O-NH1 3.46Å; W56-R142 HydrophobicContact CZ2-CG 4.46Å; E83-R142 IonicContact OE1-CZ 3.77Å; E83-R142 IonicContact OE1-NE 3.83Å; E83-R142 PolarHBondContact OE1-NE 3.35Å; E83-R142 IonicContact OE1-NH2 3.09Å; E83-R142 PolarHBondContact OE1-NH2 3.45Å; E83-R142 VanDerWaalsContact OE1-NH2 3.12Å; E83-R142 IonicContact OE2-CZ 2.81Å; E83-R142 IonicContact OE2-NE 2.93Å; E83-R142 IonicContact OE2-NH2 3.78Å; E83-R142 PolarHBondContact OE2-NH2 3.14Å; K138-R142 WeakPolarHBondContact O-CG 3.34Å; K138-R142 PolarHBondContact O-N 2.69Å; E139-R142 PolarHBondContact O-N 2.77Å; R142-A144 PolarHBondContact O-N 3.4Å; R142-I145 PolarHBondContact O-N 2.99Å; R142-A146 VanDerWaalsContact O-CB 3.3Å; R142-A146 WeakPolarHBondContact O-CB 3.47Å; R142-A146 PolarHBondContact O-N 3.46Å
143V88.3Confident80.9Confident58 Ų5862.9 Ų62.935%0.35237%0.374SS..Hα-helixtrans-63-41.7178.71730000111.5N52 E139 K140 R141 A146 Q147N52-V143 WeakPolarHBondContact OD1-CG2 3.39Å; E139-V143 WeakPolarHBondContact O-CG2 3.38Å; E139-V143 PolarHBondContact O-N 2.85Å; K140-V143 PolarHBondContact O-N 2.73Å; R141-V143 PolarHBondContact O-N 3.3Å; V143-A146 PolarHBondContact O-N 2.97Å; V143-Q147 HydrophobicContact CG1-CG 4.42Å; V143-Q147 WeakPolarHBondContact O-CB 3.43Å; V143-Q147 VanDerWaalsContact O-CG 3.3Å; V143-Q147 WeakPolarHBondContact O-CG 3.33Å; V143-Q147 PolarHBondContact O-N 3.37Å
144A88.3Confident81.2Confident56 Ų5661.1 Ų61.146%0.46336%0.364SS..Hα-helixtrans-63.4-42.8177.200000112.2K140 R141 R142 Q147 A148K140-A144 PolarHBondContact O-N 2.87Å; R141-A144 PolarHBondContact O-N 3.33Å; R142-A144 PolarHBondContact O-N 3.4Å; A144-Q147 PolarHBondContact O-N 2.97Å; A144-A148 WeakPolarHBondContact O-CB 3.41Å; A144-A148 PolarHBondContact O-N 3.4Å
145I88.1Confident81.5Confident12 Ų1256 Ų566%0.06234%0.338CS..Hα-helixtrans-65.6-43.3175.7-67164.2000110.5D75 L76 Q79 R141 R142 Q147 A148 L149D75-I145 WeakPolarHBondContact O-CD1 3.4Å; L76-I145 HydrophobicContact CB-CG2 4.19Å; L76-I145 HydrophobicContact CD1-CG2 3.74Å; Q79-I145 HydrophobicContact CB-CD1 3.51Å; Q79-I145 HydrophobicContact CG-CD1 3.9Å; R141-I145 HydrophobicContact CG-CD1 3.97Å; R141-I145 WeakPolarHBondContact O-CG1 3.42Å; R141-I145 PolarHBondContact O-N 3.18Å; R142-I145 PolarHBondContact O-N 2.99Å; I145-Q147 VanDerWaalsContact C-N 3.33Å; I145-Q147 PolarHBondContact O-N 3.18Å; I145-A148 PolarHBondContact O-N 2.81Å; I145-L149 HydrophobicContact CG2-CD1 3.73Å; I145-L149 HydrophobicContact CG2-CG 4.33Å; I145-L149 WeakPolarHBondContact O-CB 3.46Å; I145-L149 WeakPolarHBondContact O-CG 3.47Å; I145-L149 PolarHBondContact O-N 2.93Å
146A88.1Confident81.6Confident1 Ų153.7 Ų53.71%0.00831%0.31CS..Hα-helixtrans-61.8-40.4177.500000112V48 I51 R142 V143 A150V48-A146 HydrophobicContact CG1-CB 4.1Å; V48-A146 HydrophobicContact CG2-CB 4.47Å; I51-A146 HydrophobicContact CB-CB 4.05Å; I51-A146 HydrophobicContact CD1-CB 4.2Å; I51-A146 HydrophobicContact CG2-CB 3.79Å; R142-A146 VanDerWaalsContact O-CB 3.3Å; R142-A146 WeakPolarHBondContact O-CB 3.47Å; R142-A146 PolarHBondContact O-N 3.46Å; V143-A146 PolarHBondContact O-N 2.97Å; A146-A150 WeakPolarHBondContact O-CB 3.33Å; A146-A150 PolarHBondContact O-N 2.89Å
147Q87.3Confident81.2Confident135 Ų13554.2 Ų54.263%0.63131%0.313SS*.Hα-helixtrans-66.7-43.3175.3-75.3176.7-9.500112.3V143 A144 I145 L149 A150 G151V143-Q147 HydrophobicContact CG1-CG 4.42Å; V143-Q147 WeakPolarHBondContact O-CB 3.43Å; V143-Q147 VanDerWaalsContact O-CG 3.3Å; V143-Q147 WeakPolarHBondContact O-CG 3.33Å; V143-Q147 PolarHBondContact O-N 3.37Å; A144-Q147 PolarHBondContact O-N 2.97Å; I145-Q147 VanDerWaalsContact C-N 3.33Å; I145-Q147 PolarHBondContact O-N 3.18Å; Q147-L149 VanDerWaalsContact C-N 3.34Å; Q147-L149 PolarHBondContact O-N 3.39Å; Q147-A150 PolarHBondContact O-N 3.38Å; Q147-G151 PolarHBondContact O-N 2.83Å; Q147-G151 VanDerWaalsContact O-N 3.14Å
148A86.3Confident80.2Confident47 Ų4756.7 Ų56.739%0.38833%0.328SS..Hα-helixtrans-62-42.7176.500000111.6T72 A144 I145 G151 E152T72-A148 HydrophobicContact CG2-CB 4.37Å; A144-A148 WeakPolarHBondContact O-CB 3.41Å; A144-A148 PolarHBondContact O-N 3.4Å; I145-A148 PolarHBondContact O-N 2.81Å; A148-G151 PolarHBondContact O-N 3.13Å; A148-E152 WeakPolarHBondContact O-CG 3.35Å
149L84.5Confident79.3Confident1 Ų157.5 Ų57.51%0.00534%0.339CS..Hα-helixtrans-72.6-35.8178-69.1171.4000112.7F47 I51 I63 L68 L76 I145 Q147 G151 E152 V153F47-L149 HydrophobicContact CE1-CB 3.96Å; F47-L149 HydrophobicContact CE1-CD1 4.43Å; F47-L149 HydrophobicContact CZ-CD1 4.42Å; I51-L149 HydrophobicContact CD1-CB 4.42Å; I51-L149 HydrophobicContact CD1-CD1 3.7Å; I63-L149 HydrophobicContact CD1-CD1 4.34Å; L68-L149 HydrophobicContact CD1-CD2 3.6Å; L68-L149 HydrophobicContact CD2-CD2 4.5Å; L76-L149 HydrophobicContact CD1-CD1 4.1Å; I145-L149 HydrophobicContact CG2-CD1 3.73Å; I145-L149 HydrophobicContact CG2-CG 4.33Å; I145-L149 WeakPolarHBondContact O-CB 3.46Å; I145-L149 WeakPolarHBondContact O-CG 3.47Å; I145-L149 PolarHBondContact O-N 2.93Å; Q147-L149 VanDerWaalsContact C-N 3.34Å; Q147-L149 PolarHBondContact O-N 3.39Å; L149-G151 VanDerWaalsContact C-N 3.25Å; L149-G151 PolarHBondContact O-N 2.77Å; L149-E152 PolarHBondContact O-N 3.29Å; L149-E152 VanDerWaalsContact O-N 3.16Å; L149-V153 WeakPolarHBondContact O-CG2 3.12Å; L149-V153 PolarHBondContact O-N 2.73Å
150A83.7Confident78.6Confident27 Ų2756.7 Ų56.722%0.22333%0.33CS..Hα-helixtrans-64.4-30.417600000112.6I44 V48 A146 Q147 E152I44-A150 HydrophobicContact CG2-CB 4.08Å; V48-A150 HydrophobicContact CG2-CB 3.9Å; A146-A150 WeakPolarHBondContact O-CB 3.33Å; A146-A150 PolarHBondContact O-N 2.89Å; Q147-A150 PolarHBondContact O-N 3.38Å; A150-E152 VanDerWaalsContact C-N 3.31Å
151G79.4Confident77.8Confident69 Ų6950.8 Ų50.871%0.71131%0.305SS*.Hα-helixtrans-70-26174.200000114.1Q147 A148 L149Q147-G151 PolarHBondContact O-N 2.83Å; Q147-G151 VanDerWaalsContact O-N 3.14Å; A148-G151 PolarHBondContact O-N 3.13Å; L149-G151 VanDerWaalsContact C-N 3.25Å; L149-G151 PolarHBondContact O-N 2.77Å
152E77.8Confident77Confident88 Ų8852 Ų5241%0.41131%0.314SS..Hα-helixtrans-94.7-10.7-177.3-64.6-65.9163.400113.4N39 L68 A148 L149 A150N39-E152 WeakPolarHBondContact CB-O 3.48Å; N39-E152 PolarHBondContact ND2-O 3.47Å; L68-E152 HydrophobicContact CD2-CB 3.99Å; A148-E152 WeakPolarHBondContact O-CG 3.35Å; L149-E152 PolarHBondContact O-N 3.29Å; L149-E152 VanDerWaalsContact O-N 3.16Å; A150-E152 VanDerWaalsContact C-N 3.31Å
153V79.1Confident76.3Confident11 Ų1153.1 Ų53.17%0.06733%0.329CS..  trans-108140.8-176.4172.40000110.5V41 I44 L66 L149V41-V153 HydrophobicContact CB-CG1 3.64Å; V41-V153 HydrophobicContact CG2-CB 4.48Å; V41-V153 HydrophobicContact CG2-CG1 3.37Å; V41-V153 HydrophobicContact CG2-CG2 4.25Å; I44-V153 HydrophobicContact CG1-CG1 4.47Å; L66-V153 HydrophobicContact CD1-CG2 4.01Å; L149-V153 WeakPolarHBondContact O-CG2 3.12Å; L149-V153 PolarHBondContact O-N 2.73Å
154S72.6Confident75.6Confident36 Ų3654 Ų5425%0.25233%0.331SS..BIsolated β-bridgetrans-118.6150.2176.964.50000111.1N39 T40 V41N39-S154 PolarHBondContact O-N 3.38Å; N39-S154 PolarHBondContact O-OG 3.09Å; N39-S154 VanDerWaalsContact O-OG 3.07Å; T40-S154 VanDerWaalsContact CA-O 3.32Å; T40-S154 WeakPolarHBondContact CA-O 3.38Å; V41-S154 PolarHBondContact N-O 3.48Å
155V67.8Low74.7Confident60 Ų6053.8 Ų53.836%0.36432%0.322SS..  trans-104.5120.4169.3-176.70000108I44I44-V155 HydrophobicContact CB-CG2 4.33Å; I44-V155 HydrophobicContact CD1-CG2 3.6Å; I44-V155 HydrophobicContact CG1-CG2 3.55Å
156V63.7Low73.9Confident21 Ų2154.7 Ų54.713%0.12733%0.334CS..  trans-108.4115.8166.3-176.30000107L13 Q16 T40L13-V156 HydrophobicContact CD1-CG1 4.39Å; Q16-V156 HydrophobicContact CB-CB 4.44Å; Q16-V156 HydrophobicContact CB-CG1 4.06Å; Q16-V156 HydrophobicContact CG-CB 4.14Å; Q16-V156 HydrophobicContact CG-CG1 3.86Å; T40-V156 HydrophobicContact CG2-CB 4.12Å; T40-V156 HydrophobicContact CG2-CG2 3.77Å
157P63.2Low73.3Confident59 Ų5960.8 Ų60.838%0.38336%0.362SS..  trans-55.7136.1177-24.832000111R160P157-R160 HydrophobicContact CB-CB 4.44Å; P157-R160 WeakPolarHBondContact O-CB 3.49Å; P157-R160 PolarHBondContact O-N 2.8Å
158P60.4Low72.4Confident97 Ų9756.4 Ų56.463%0.6335%0.347SS*.THydrogen-bonded Turntrans-61.6147179.123.9-32000110.5E20 R160E20-P158 WeakPolarHBondContact OE1-CA 3.49Å; E20-P158 WeakPolarHBondContact OE1-CB 3.39Å; P158-R160 PolarHBondContact O-N 2.75Å; P158-R160 VanDerWaalsContact O-N 3.12Å
159S64.1Low71.6Confident66 Ų6655.6 Ų55.646%0.46234%0.336SS..THydrogen-bonded Turntrans62.69.1-179.975.30000116.6E20 L161 M162 A163E20-S159 PolarHBondContact OE1-N 2.98Å; E20-S159 PolarHBondContact OE2-N 2.93Å; S159-L161 PolarHBondContact O-N 3.07Å; S159-M162 PolarHBondContact O-N 3.01Å; S159-A163 PolarHBondContact O-N 3.46Å
160R69.9Low71.1Confident128 Ų12862.3 Ų62.348%0.48337%0.365SS..Hα-helixtrans-56.7-35.9-179.3-171.3173.9-177.9177.20.3112.9L13 P157 P158 A163 L164L13-R160 HydrophobicContact CD1-CB 3.99Å; L13-R160 HydrophobicContact CD1-CG 3.89Å; P157-R160 HydrophobicContact CB-CB 4.44Å; P157-R160 WeakPolarHBondContact O-CB 3.49Å; P157-R160 PolarHBondContact O-N 2.8Å; P158-R160 PolarHBondContact O-N 2.75Å; P158-R160 VanDerWaalsContact O-N 3.12Å; R160-A163 PolarHBondContact O-N 3.36Å; R160-L164 HydrophobicContact CG-CD1 3.96Å; R160-L164 HydrophobicContact CG-CG 4.35Å; R160-L164 WeakPolarHBondContact O-CB 3.4Å; R160-L164 VanDerWaalsContact O-CG 3.24Å; R160-L164 WeakPolarHBondContact O-CG 3.36Å; R160-L164 PolarHBondContact O-N 3.39Å
161L69.3Low70.8Confident23 Ų2368.1 Ų68.112%0.1238%0.381CS..Hα-helixtrans-62.6-46.7175.4-165.4138.9000112L13 I14 Y17 S159 L164 L165L13-L161 HydrophobicContact CB-CD1 4.28Å; L13-L161 HydrophobicContact CD2-CB 3.82Å; L13-L161 HydrophobicContact CD2-CD1 3.71Å; L13-L161 HydrophobicContact CD2-CG 3.78Å; L13-L161 HydrophobicContact CG-CB 3.86Å; L13-L161 HydrophobicContact CG-CD1 3.86Å; L13-L161 HydrophobicContact CG-CG 4.18Å; I14-L161 HydrophobicContact CG1-CD1 4.01Å; Y17-L161 HydrophobicContact CD2-CD2 4.16Å; Y17-L161 HydrophobicContact CG-CD2 4.24Å; S159-L161 PolarHBondContact O-N 3.07Å; L161-L164 PolarHBondContact O-N 3.04Å; L161-L165 HydrophobicContact CD2-CD1 3.52Å; L161-L165 HydrophobicContact CD2-CG 4.39Å; L161-L165 HydrophobicContact CG-CD1 4.36Å; L161-L165 WeakPolarHBondContact O-CB 3.3Å; L161-L165 VanDerWaalsContact O-CG 3.24Å; L161-L165 WeakPolarHBondContact O-CG 3.22Å; L161-L165 PolarHBondContact O-N 3.36Å
162M67.9Low70.3Confident70 Ų7068.6 Ų68.635%0.34537%0.365SS..Hα-helixtrans-65.5-40.7177.2-66.5-71.698.900111.8Y17 S159 L165 G166 F187Y17-M162 HydrophobicContact CD2-CE 4.1Å; Y17-M162 HydrophobicContact CE2-CE 3.62Å; Y17-M162 HydrophobicContact CE2-CG 4.33Å; Y17-M162 HydrophobicContact CE2-SD 4.12Å; S159-M162 PolarHBondContact O-N 3.01Å; M162-L165 HydrophobicContact CE-CD1 3.76Å; M162-L165 PolarHBondContact O-N 3.23Å; M162-G166 PolarHBondContact O-N 2.84Å; M162-F187 HydrophobicContact CE-CE2 4.02Å; M162-F187 HydrophobicContact CE-CZ 3.64Å
163A73Confident69.9Low51 Ų5167.9 Ų67.942%0.42136%0.361SS..Hα-helixtrans-64.1-45.2176.900000112S159 R160 G166 Q167S159-A163 PolarHBondContact O-N 3.46Å; R160-A163 PolarHBondContact O-N 3.36Å; A163-G166 PolarHBondContact O-N 2.94Å; A163-Q167 WeakPolarHBondContact O-CG 3.14Å; A163-Q167 PolarHBondContact O-N 3.23Å
164L73.6Confident69.6Low77 Ų7775.8 Ų75.840%0.40340%0.397SS..Hα-helixtrans-63.4-43.8176.7-75.4170.7000111.5L13 R160 L161 G166 Q167 S168L13-L164 HydrophobicContact CD1-CD1 4.32Å; L13-L164 HydrophobicContact CD2-CD1 3.97Å; R160-L164 HydrophobicContact CG-CD1 3.96Å; R160-L164 HydrophobicContact CG-CG 4.35Å; R160-L164 WeakPolarHBondContact O-CB 3.4Å; R160-L164 VanDerWaalsContact O-CG 3.24Å; R160-L164 WeakPolarHBondContact O-CG 3.36Å; R160-L164 PolarHBondContact O-N 3.39Å; L161-L164 PolarHBondContact O-N 3.04Å; L164-G166 VanDerWaalsContact C-N 3.33Å; L164-G166 PolarHBondContact O-N 3.37Å; L164-Q167 PolarHBondContact O-N 3.49Å; L164-S168 PolarHBondContact O-N 3Å; L164-S168 PolarHBondContact O-OG 3.25Å
165L69.6Low69.6Low51 Ų5179.6 Ų79.627%0.26741%0.411SS..Hα-helixtrans-63.8-38.5175.6-71.2173.5000112.1L161 M162 S168 L169 L186L161-L165 HydrophobicContact CD2-CD1 3.52Å; L161-L165 HydrophobicContact CD2-CG 4.39Å; L161-L165 HydrophobicContact CG-CD1 4.36Å; L161-L165 WeakPolarHBondContact O-CB 3.3Å; L161-L165 VanDerWaalsContact O-CG 3.24Å; L161-L165 WeakPolarHBondContact O-CG 3.22Å; L161-L165 PolarHBondContact O-N 3.36Å; M162-L165 HydrophobicContact CE-CD1 3.76Å; M162-L165 PolarHBondContact O-N 3.23Å; L165-S168 WeakPolarHBondContact CA-OG 3.37Å; L165-S168 PolarHBondContact O-N 3.39Å; L165-S168 PolarHBondContact O-OG 3.34Å; L165-L169 VanDerWaalsContact O-CB 3.32Å; L165-L169 WeakPolarHBondContact O-CB 3.38Å; L165-L169 PolarHBondContact O-N 2.93Å; L165-L186 HydrophobicContact CB-CD1 3.88Å; L165-L186 HydrophobicContact CB-CD2 4.01Å; L165-L186 HydrophobicContact CD1-CD2 4.49Å; L165-L186 HydrophobicContact CD2-CD2 4.03Å; L165-L186 HydrophobicContact CG-CD2 4.39Å
166G70.4Confident69.4Low30 Ų3079.7 Ų79.731%0.30942%0.424SS..Hα-helixtrans-64-40.5173.900000112.8M162 A163 L164 L169 K170M162-G166 PolarHBondContact O-N 2.84Å; A163-G166 PolarHBondContact O-N 2.94Å; L164-G166 VanDerWaalsContact C-N 3.33Å; L164-G166 PolarHBondContact O-N 3.37Å; G166-L169 PolarHBondContact O-N 2.94Å; G166-K170 WeakPolarHBondContact O-CG 3.39Å; G166-K170 PolarHBondContact O-N 3.36Å; G166-K170 VanDerWaalsContact O-N 3.1Å
167Q76.3Confident69.4Low129 Ų12984.4 Ų84.460%0.60345%0.448SS*.Hα-helixtrans-68.2-41.5175.2-73.4179.20.600112A163 L164 L169 K170 W171A163-Q167 WeakPolarHBondContact O-CG 3.14Å; A163-Q167 PolarHBondContact O-N 3.23Å; L164-Q167 PolarHBondContact O-N 3.49Å; Q167-L169 VanDerWaalsContact C-N 3.29Å; Q167-L169 PolarHBondContact O-N 3.29Å; Q167-K170 PolarHBondContact O-N 3.38Å; Q167-W171 WeakPolarHBondContact O-CB 3.36Å; Q167-W171 PolarHBondContact O-N 2.88Å
168S69.1Low69.2Low44 Ų4483.2 Ų83.231%0.30844%0.439SS..Hα-helixtrans-63.8-36.6175.761.60000112L164 L165 W171 Q172L164-S168 PolarHBondContact O-N 3Å; L164-S168 PolarHBondContact O-OG 3.25Å; L165-S168 WeakPolarHBondContact CA-OG 3.37Å; L165-S168 PolarHBondContact O-N 3.39Å; L165-S168 PolarHBondContact O-OG 3.34Å; S168-W171 PolarHBondContact O-N 3.11Å; S168-Q172 WeakPolarHBondContact O-CG 3.31Å; S168-Q172 PolarHBondContact O-N 3.12Å
169L68.5Low69.1Low30 Ų3082.6 Ų82.616%0.15743%0.434CS..Hα-helixtrans-66.8-43.1177.2-170.2129.8000111.7L165 G166 Q167 W171 Q172 Q173 I184 L186L165-L169 VanDerWaalsContact O-CB 3.32Å; L165-L169 WeakPolarHBondContact O-CB 3.38Å; L165-L169 PolarHBondContact O-N 2.93Å; G166-L169 PolarHBondContact O-N 2.94Å; Q167-L169 VanDerWaalsContact C-N 3.29Å; Q167-L169 PolarHBondContact O-N 3.29Å; L169-W171 VanDerWaalsContact C-N 3.32Å; L169-W171 PolarHBondContact O-N 2.99Å; L169-Q172 PolarHBondContact O-N 3.17Å; L169-Q173 WeakPolarHBondContact O-CG 3.49Å; L169-Q173 PolarHBondContact O-N 2.62Å; L169-I184 HydrophobicContact CD1-CB 3.98Å; L169-I184 HydrophobicContact CD1-CD1 4.08Å; L169-L186 HydrophobicContact CD1-CD2 4.41Å; L169-L186 HydrophobicContact CD1-CG 4.35Å
170K74Confident68.5Low142 Ų14285.8 Ų85.862%0.61745%0.453SS*.Hα-helixtrans-60.9-40.6171.9-73.5179-179.6-1790112G166 Q167 Q173 H174G166-K170 WeakPolarHBondContact O-CG 3.39Å; G166-K170 PolarHBondContact O-N 3.36Å; G166-K170 VanDerWaalsContact O-N 3.1Å; Q167-K170 PolarHBondContact O-N 3.38Å; K170-Q173 PolarHBondContact O-N 3.15Å; K170-H174 PolarHBondContact O-CD2 3.27Å; K170-H174 PolarHBondContact O-N 3.14Å
171W76.4Confident68Low148 Ų14883.4 Ų83.456%0.56147%0.469SS*.Hα-helixtrans-64.3-43.5177-175.890.8000112Q167 S168 L169 Q173 H174 Q175Q167-W171 WeakPolarHBondContact O-CB 3.36Å; Q167-W171 PolarHBondContact O-N 2.88Å; S168-W171 PolarHBondContact O-N 3.11Å; L169-W171 VanDerWaalsContact C-N 3.32Å; L169-W171 PolarHBondContact O-N 2.99Å; W171-Q173 PolarHBondContact O-N 2.89Å; W171-H174 PolarHBondContact O-N 3.37Å; W171-Q175 HydrophobicContact CD2-CG 3.94Å; W171-Q175 HydrophobicContact CE3-CG 3.99Å; W171-Q175 HydrophobicContact CH2-CG 3.8Å; W171-Q175 HydrophobicContact CZ2-CG 3.74Å; W171-Q175 VanDerWaalsContact CZ2-NE2 3.27Å; W171-Q175 HydrophobicContact CZ3-CG 3.92Å; W171-Q175 VanDerWaalsContact O-CG 3.32Å; W171-Q175 WeakPolarHBondContact O-CG 3.35Å; W171-Q175 PolarHBondContact O-N 3.34Å
172Q70.3Confident67.4Low79 Ų7985.4 Ų85.437%0.36948%0.479SS..Hα-helixtrans-64.9-36.3176-73.4175.9-2.700112.7S168 L169 Q175 G176 L177 L178S168-Q172 WeakPolarHBondContact O-CG 3.31Å; S168-Q172 PolarHBondContact O-N 3.12Å; L169-Q172 PolarHBondContact O-N 3.17Å; Q172-Q175 PolarHBondContact O-N 3.31Å; Q172-G176 PolarHBondContact O-N 3.33Å; Q172-L177 HydrophobicContact CG-CD1 4.5Å; Q172-L177 PolarHBondContact O-N 3.38Å; Q172-L177 VanDerWaalsContact O-N 3.1Å; Q172-L178 HydrophobicContact CB-CD1 3.78Å; Q172-L178 HydrophobicContact CB-CG 4.4Å
173Q68.9Low66.6Low73 Ų7387.4 Ų87.434%0.34150%0.495SS..Hα-helixtrans-63.8-43.9171.9-75.4175.3-12.200111.8L169 K170 W171 Q175 G176 L178L169-Q173 WeakPolarHBondContact O-CG 3.49Å; L169-Q173 PolarHBondContact O-N 2.62Å; K170-Q173 PolarHBondContact O-N 3.15Å; W171-Q173 PolarHBondContact O-N 2.89Å; Q173-Q175 VanDerWaalsContact C-N 3.3Å; Q173-Q175 PolarHBondContact O-N 2.89Å; Q173-G176 PolarHBondContact O-N 2.85Å; Q173-G176 VanDerWaalsContact O-N 3.1Å; Q173-L178 HydrophobicContact CG-CB 4.16Å; Q173-L178 HydrophobicContact CG-CD1 4.4Å
174H71.9Confident65.8Low177 Ų17786.7 Ų86.782%0.81948%0.484SS*.Hα-helixtrans-64.3-33.1176.1-96.8-82.1000113.3K170 W171 G176K170-H174 PolarHBondContact O-CD2 3.27Å; K170-H174 PolarHBondContact O-N 3.14Å; W171-H174 PolarHBondContact O-N 3.37Å; H174-G176 PolarHBondContact O-N 3.01Å
175Q73.3Confident64.9Low116 Ų11686.3 Ų86.354%0.54248%0.482SS..THydrogen-bonded Turntrans-78-3.2175.3-71-85-11.600113.1W171 Q172 Q173 L177W171-Q175 HydrophobicContact CD2-CG 3.94Å; W171-Q175 HydrophobicContact CE3-CG 3.99Å; W171-Q175 HydrophobicContact CH2-CG 3.8Å; W171-Q175 HydrophobicContact CZ2-CG 3.74Å; W171-Q175 VanDerWaalsContact CZ2-NE2 3.27Å; W171-Q175 HydrophobicContact CZ3-CG 3.92Å; W171-Q175 VanDerWaalsContact O-CG 3.32Å; W171-Q175 WeakPolarHBondContact O-CG 3.35Å; W171-Q175 PolarHBondContact O-N 3.34Å; Q172-Q175 PolarHBondContact O-N 3.31Å; Q173-Q175 VanDerWaalsContact C-N 3.3Å; Q173-Q175 PolarHBondContact O-N 2.89Å; Q175-L177 VanDerWaalsContact C-N 3.26Å; Q175-L177 HydrophobicContact CB-CD1 4.07Å; Q175-L177 HydrophobicContact CB-CG 4.49Å; Q175-L177 PolarHBondContact O-N 2.89Å
176G64.5Low64.2Low62 Ų6287.4 Ų87.464%0.63949%0.488SS*.THydrogen-bonded Turntrans74.111.2178.700000114.9Q172 Q173 H174 L178Q172-G176 PolarHBondContact O-N 3.33Å; Q173-G176 PolarHBondContact O-N 2.85Å; Q173-G176 VanDerWaalsContact O-N 3.1Å; H174-G176 PolarHBondContact O-N 3.01Å; G176-L178 PolarHBondContact O-N 2.97Å
177L63.5Low63.3Low120 Ų12092 Ų9263%0.62850%0.499SS*.SBendtrans-72.3-15.7176.4-74.7155.7000112.4Q172 Q175Q172-L177 HydrophobicContact CG-CD1 4.5Å; Q172-L177 PolarHBondContact O-N 3.38Å; Q172-L177 VanDerWaalsContact O-N 3.1Å; Q175-L177 VanDerWaalsContact C-N 3.26Å; Q175-L177 HydrophobicContact CB-CD1 4.07Å; Q175-L177 HydrophobicContact CB-CG 4.49Å; Q175-L177 PolarHBondContact O-N 2.89Å
178L58.5Low62.3Low35 Ų3595.3 Ų95.318%0.18351%0.506CS..SBendtrans-133.6129.9-177.4-67.2169000110.9Q172 Q173 G176 I184Q172-L178 HydrophobicContact CB-CD1 3.78Å; Q172-L178 HydrophobicContact CB-CG 4.4Å; Q173-L178 HydrophobicContact CG-CB 4.16Å; Q173-L178 HydrophobicContact CG-CD1 4.4Å; G176-L178 PolarHBondContact O-N 2.97Å; L178-I184 HydrophobicContact CB-CD1 4.5Å; L178-I184 HydrophobicContact CD1-CD1 3.26Å; L178-I184 HydrophobicContact CD2-CD1 3.4Å; L178-I184 HydrophobicContact CG-CD1 3.85Å
179P58.2Low61.3Low84 Ų8496.7 Ų96.755%0.54553%0.528SS..  trans-61.3139.1174.1-20.831.2000112G181P179-G181 PolarHBondContact O-N 2.84Å
180P52.3Low60.4Low132 Ų132103 Ų10386%0.85755%0.554SS**THydrogen-bonded Turntrans-64.5125.2177.623.7-30.3000110.8
181G57.8Low58.9Low79 Ų7997.8 Ų97.881%0.81454%0.537SS*.THydrogen-bonded Turntrans111.6-4.2176.400000116.1P179P179-G181 PolarHBondContact O-N 2.84Å
182M56.6Low57.3Low65 Ų6593.1 Ų93.132%0.3253%0.53SS..  trans-82.9121.2176.6-124.2175.1-179.400111.6I184 A191 V193M182-I184 PolarHBondContact O-N 3.4Å; M182-A191 HydrophobicContact CE-CB 3.24Å; M182-A191 HydrophobicContact CG-CB 3.98Å; M182-A191 HydrophobicContact SD-CB 3.21Å; M182-A191 WeakPolarHBondContact SD-CB 3.49Å; M182-V193 HydrophobicContact CE-CG2 3.34Å
183T52.6Low56Low111 Ų11193.1 Ų93.168%0.68154%0.535SS*.  trans-77.6113.616548.60000107.7A192T183-A192 WeakPolarHBondContact O-CB 3.26Å; T183-A192 PolarHBondContact O-N 2.98Å
184I55.2Low54.9Low37 Ų3797.4 Ų97.419%0.1955%0.553CS.*EExtended strand (participates in β ladder)trans-98.2122.4179.1-61.7166.1000106.8L169 L178 M182 L186 A191L169-I184 HydrophobicContact CD1-CB 3.98Å; L169-I184 HydrophobicContact CD1-CD1 4.08Å; L178-I184 HydrophobicContact CB-CD1 4.5Å; L178-I184 HydrophobicContact CD1-CD1 3.26Å; L178-I184 HydrophobicContact CD2-CD1 3.4Å; L178-I184 HydrophobicContact CG-CD1 3.85Å; M182-I184 PolarHBondContact O-N 3.4Å; I184-L186 PolarHBondContact O-N 3.16Å; I184-L186 VanDerWaalsContact O-N 3.14Å; I184-A191 HydrophobicContact CG1-CB 4.45Å
185D55.7Low53.7Low69 Ų6995.3 Ų95.337%0.36955%0.547SS..EExtended strand (participates in β ladder)trans-76.199.4167.3-169.9-5.7000107.5F187 R188D185-F187 PolarHBondContact O-N 3.38Å; D185-R188 HydrophobicContact CB-CB 4.32Å; D185-R188 PolarHBondContact O-N 3.2Å; D185-R188 IonicContact OD2-NE 3.33Å
186L54.6Low52.7Low74 Ų7494.5 Ų94.539%0.38755%0.55SS.*THydrogen-bonded Turntrans-53.4-26-175.3-86.1150.7000112.9L165 L169 I184L165-L186 HydrophobicContact CB-CD1 3.88Å; L165-L186 HydrophobicContact CB-CD2 4.01Å; L165-L186 HydrophobicContact CD1-CD2 4.49Å; L165-L186 HydrophobicContact CD2-CD2 4.03Å; L165-L186 HydrophobicContact CG-CD2 4.39Å; L169-L186 HydrophobicContact CD1-CD2 4.41Å; L169-L186 HydrophobicContact CD1-CG 4.35Å; I184-L186 PolarHBondContact O-N 3.16Å; I184-L186 VanDerWaalsContact O-N 3.14Å
187F51.9Low52.4Low125 Ų12596 Ų9655%0.54854%0.541SS..THydrogen-bonded Turntrans-87.2-17.2-178.7-66.6-76.9000114.2Y17 M162 D185Y17-F187 HydrophobicContact CE1-CE1 4.12Å; Y17-F187 AromaticContact CE1-CZ 3.94Å; Y17-F187 HydrophobicContact CE1-CZ 3.94Å; Y17-F187 HydrophobicContact CE2-CZ 4.21Å; Y17-F187 AromaticContact CZ-CZ 3.53Å; Y17-F187 WeakPolarHBondContact OH-CZ 3.42Å; M162-F187 HydrophobicContact CE-CE2 4.02Å; M162-F187 HydrophobicContact CE-CZ 3.64Å; D185-F187 PolarHBondContact O-N 3.38Å
188R55.6Low52.5Low199 Ų19996.8 Ų96.875%0.75154%0.541SS*.THydrogen-bonded Turntrans-98.4-12.1-178.3-76.5-172.6172.8-147.2-1.3114.1D185 K190D185-R188 HydrophobicContact CB-CB 4.32Å; D185-R188 PolarHBondContact O-N 3.2Å; D185-R188 IonicContact OD2-NE 3.33Å; R188-K190 PolarHBondContact O-N 3.49Å
189G47.9Very low53.1Low74 Ų7495.8 Ų95.876%0.76354%0.536SS*.THydrogen-bonded Turntrans6010.2-179.400000114.2
190K48.9Very low53.9Low163 Ų16399 Ų9971%0.70954%0.537SS*.EExtended strand (participates in β ladder)trans-121.1134.6173.1-69.9-176.3177.9-176.80105.1R188 A192R188-K190 PolarHBondContact O-N 3.49Å; K190-A192 PolarHBondContact O-N 3.49Å
191A42.5Very low54.9Low31 Ų3195.1 Ų95.126%0.25651%0.507SS..EExtended strand (participates in β ladder)trans-48.4137.816200000107.6M182 I184 V193M182-A191 HydrophobicContact CE-CB 3.24Å; M182-A191 HydrophobicContact CG-CB 3.98Å; M182-A191 HydrophobicContact SD-CB 3.21Å; M182-A191 WeakPolarHBondContact SD-CB 3.49Å; I184-A191 HydrophobicContact CG1-CB 4.45Å; A191-V193 HydrophobicContact CB-CG2 4.35Å; A191-V193 PolarHBondContact O-N 3.14Å
192A42.5Very low55.9Low50 Ų5091.5 Ų91.541%0.41347%0.469SS..  trans-69.370.7164.500000106.3T183 K190 K194T183-A192 WeakPolarHBondContact O-CB 3.26Å; T183-A192 PolarHBondContact O-N 2.98Å; K190-A192 PolarHBondContact O-N 3.49Å; A192-K194 PolarHBondContact O-N 3.19Å
193V42.8Very low56.8Low80 Ų8091.1 Ų91.149%0.48547%0.47SS..  trans-56.694143.2-174.40000101.3M182 A191 D195M182-V193 HydrophobicContact CE-CG2 3.34Å; A191-V193 HydrophobicContact CB-CG2 4.35Å; A191-V193 PolarHBondContact O-N 3.14Å; V193-D195 PolarHBondContact O-N 3.43Å
194K47.3Very low58.2Low163 Ų16392.1 Ų92.171%0.70947%0.467SS*.  trans-44.2103.2143.5-116.4178.2174.6177.70101.8A192 V196A192-K194 PolarHBondContact O-N 3.19Å; K194-V196 WeakPolarHBondContact O-CG2 3.05Å; K194-V196 PolarHBondContact O-N 3.26Å
195D45Very low59.5Low132 Ų13294.1 Ų94.171%0.70648%0.478SS*.  trans-54.4101.6172.5-80.4-38.6000103.4V193 E197V193-D195 PolarHBondContact O-N 3.43Å; D195-E197 PolarHBondContact O-N 3.33Å
196V53.1Low60.7Low99 Ų9993.5 Ų93.560%0.648%0.476SS*.  trans-73.375.6176.8173.50000102K194 E198K194-V196 WeakPolarHBondContact O-CG2 3.05Å; K194-V196 PolarHBondContact O-N 3.26Å; V196-E198 PolarHBondContact O-N 3.18Å; V196-E198 VanDerWaalsContact O-N 3.11Å
197E58.6Low62Low95 Ų9596.6 Ų96.644%0.44448%0.483SS..PPolyproline II helixtrans-54.6122.5171.1-76.9-172.2162.900105.5D195 R453 N497D195-E197 PolarHBondContact O-N 3.33Å; E197-R453 PolarHBondContact O-NH2 2.99Å; E197-N497 PolarHBondContact OE2-N 3.07Å
198E64.4Low63.6Low135 Ų13596 Ų9663%0.63148%0.482SS*.PPolyproline II helixtrans-62.4138168.9-70.1-177.3152.800108.2V196 R200 N497V196-E198 PolarHBondContact O-N 3.18Å; V196-E198 VanDerWaalsContact O-N 3.11Å; E198-R200 PolarHBondContact O-N 2.97Å; E198-R200 IonicContact OE2-NH2 3.12Å; E198-N497 PolarHBondContact O-ND2 2.93Å
199E72.1Confident65.1Low15 Ų1586.8 Ų86.87%0.0745%0.447CS..PPolyproline II helixtrans-68120.2-177.4-63.3-165.6153.500110.8S451 P452 R453 E455 W456 N497E199-S451 VanDerWaalsContact CD-OG 3.3Å; E199-S451 PolarHBondContact OE1-OG 3.3Å; E199-S451 WeakPolarHBondContact OE2-CB 3.14Å; E199-S451 PolarHBondContact OE2-OG 3.45Å; E199-P452 VanDerWaalsContact OE1-CD 3.24Å; E199-P452 WeakPolarHBondContact OE1-CD 3.32Å; E199-R453 HydrophobicContact CG-CB 4.5Å; E199-R453 HydrophobicContact CG-CG 4.35Å; E199-R453 WeakPolarHBondContact OE1-CA 3.35Å; E199-R453 WeakPolarHBondContact OE1-CB 3.42Å; E199-R453 VanDerWaalsContact OE1-CG 3.23Å; E199-R453 WeakPolarHBondContact OE1-CG 3.45Å; E199-R453 PolarHBondContact OE1-N 3.44Å; E199-E455 WeakPolarHBondContact OE2-CB 3.42Å; E199-E455 PolarHBondContact OE2-N 3.45Å; E199-W456 PolarHBondContact O-NE1 3.46Å; E199-N497 WeakPolarHBondContact CA-OD1 3.33Å
200R74.1Confident66.9Low150 Ų15090.3 Ų90.357%0.56644%0.442SS*.  trans-124.6144.4178.5-67.9-179.7-174.5-176.71.9109.8E198 Y458 N497 P513E198-R200 PolarHBondContact O-N 2.97Å; E198-R200 IonicContact OE2-NH2 3.12Å; R200-Y458 PolarHBondContact O-OH 3.25Å; R200-N497 PolarHBondContact N-ND2 3.19Å; R200-P513 HydrophobicContact CB-CB 3.44Å; R200-P513 VanDerWaalsContact CB-CB 3.44Å; R200-P513 HydrophobicContact CB-CG 4.07Å
201F73.6Confident68.5Low52 Ų5283.5 Ų83.523%0.22841%0.412CS..  trans-67.1147.7174.654.7-92.3000110.5T203 W456 C468 R478 P513F201-T203 HydrophobicContact CD2-CG2 3.85Å; F201-T203 HydrophobicContact CE2-CG2 3.64Å; F201-W456 HydrophobicContact CB-CE3 4.39Å; F201-W456 HydrophobicContact CB-CH2 4.48Å; F201-W456 HydrophobicContact CB-CZ3 4.34Å; F201-W456 AromaticContact CD1-CH2 3.55Å; F201-W456 HydrophobicContact CD1-CH2 3.55Å; F201-W456 AromaticContact CD1-CZ2 3.76Å; F201-W456 HydrophobicContact CD1-CZ2 3.76Å; F201-W456 HydrophobicContact CD1-CZ3 4.14Å; F201-W456 HydrophobicContact CE1-CH2 4.25Å; F201-W456 HydrophobicContact CG-CH2 4.42Å; F201-C468 HydrophobicContact CB-CB 4.19Å; F201-R478 HydrophobicContact CD2-CB 4.08Å; F201-R478 HydrophobicContact CD2-CG 4.15Å; F201-R478 HydrophobicContact CE2-CB 4.43Å; F201-R478 HydrophobicContact CE2-CG 4.33Å; F201-P513 VanDerWaalsContact O-CA 3.29Å; F201-P513 WeakPolarHBondContact O-CA 3.44Å; F201-P513 VanDerWaalsContact O-CB 3.26Å; F201-P513 WeakPolarHBondContact O-CB 3.4Å
202P78.9Confident70Confident2 Ų284.3 Ų84.31%0.01342%0.423CS..  trans-61.7144.5177.928.1-36.4000110.8Y458 L466 L480 I499 W511P202-Y458 VanDerWaalsContact CD-CE1 3.49Å; P202-Y458 HydrophobicContact CG-CE1 4.39Å; P202-L466 HydrophobicContact CG-CD2 3.78Å; P202-L480 HydrophobicContact CB-CD1 4.16Å; P202-L480 HydrophobicContact CG-CD1 4.02Å; P202-L480 VanDerWaalsContact O-CD1 3.31Å; P202-L480 WeakPolarHBondContact O-CD1 3.45Å; P202-I499 HydrophobicContact CB-CD1 4.24Å; P202-I499 HydrophobicContact CG-CD1 3.69Å; P202-W511 HydrophobicContact CB-CB 3.77Å
203T76.6Confident71Confident57 Ų5791.2 Ų91.235%0.3545%0.447SS..  trans-130.9-31.8172.372.30000113F201 K512 P513F201-T203 HydrophobicContact CD2-CG2 3.85Å; F201-T203 HydrophobicContact CE2-CG2 3.64Å; T203-K512 PolarHBondContact N-O 3.42Å; T203-P513 WeakPolarHBondContact CB-OXT 3.14Å; T203-P513 VanDerWaalsContact CG2-OXT 3.3Å; T203-P513 WeakPolarHBondContact CG2-OXT 3.34Å; T203-P513 PolarHBondContact OG1-OXT 3.09Å
204Q80.4Confident72.5Confident133 Ų13396.8 Ų96.862%0.62146%0.464SS*.EExtended strand (participates in β ladder)trans-122.9138.2-172.8-67.9178.21800112.2T206 W511 K512Q204-T206 PolarHBondContact O-N 3.5Å; Q204-W511 WeakPolarHBondContact O-CA 3.33Å; Q204-K512 PolarHBondContact N-O 3.13Å; Q204-K512 PolarHBondContact O-N 2.88Å
205L82.9Confident74.1Confident78 Ų7889.8 Ų89.841%0.40844%0.436SS..EExtended strand (participates in β ladder)trans-72.8120.3167.1-179.470.5000108.6K509 W511L205-K509 HydrophobicContact CD1-CB 3.64Å; L205-K509 HydrophobicContact CD1-CD 4.16Å; L205-K509 HydrophobicContact CD1-CG 3.96Å; L205-W511 HydrophobicContact CB-CE3 4.02Å; L205-W511 HydrophobicContact CB-CH2 4.19Å; L205-W511 HydrophobicContact CB-CZ3 3.78Å; L205-W511 HydrophobicContact CD1-CD2 4.14Å; L205-W511 HydrophobicContact CD1-CE3 4.32Å; L205-W511 HydrophobicContact CD1-CH2 4.15Å; L205-W511 HydrophobicContact CD1-CZ2 3.93Å; L205-W511 HydrophobicContact CD1-CZ3 4.33Å
206T80.1Confident76.1Confident56 Ų5685.3 Ų85.334%0.34441%0.411SS..EExtended strand (participates in β ladder)trans-94-45.9-179.957.20000112.5Q204 L510 K512Q204-T206 PolarHBondContact O-N 3.5Å; T206-L510 PolarHBondContact N-O 3.39Å; T206-L510 PolarHBondContact OG1-O 2.98Å; T206-K512 HydrophobicContact CG2-CB 3.53Å; T206-K512 HydrophobicContact CG2-CD 3.91Å; T206-K512 HydrophobicContact CG2-CG 3.55Å
207R82.8Confident77.9Confident139 Ų13980.7 Ų80.753%0.52538%0.383SS..EExtended strand (participates in β ladder)trans-149.1155.4-175.6-67.4-63.9-176.8-171.6-2.9109.7L510R207-L510 HydrophobicContact CB-CB 4.32Å; R207-L510 HydrophobicContact CB-CD1 4.25Å; R207-L510 PolarHBondContact N-O 2.88Å; R207-L510 PolarHBondContact O-N 3.45Å
208H86.5Confident79.4Confident114 Ų11478.2 Ų78.253%0.52837%0.371SS..EExtended strand (participates in β ladder)trans-131.3142165.663.7-84.9000108.6L508 K509H208-L508 CarbonylContact C-O 3.58Å; H208-L508 VanDerWaalsContact CA-O 3.28Å; H208-L508 WeakPolarHBondContact CA-O 3.45Å; H208-K509 HydrophobicContact CB-CG 4.12Å
209I86.3Confident80.7Confident5 Ų572.2 Ų72.23%0.02634%0.344CS..EExtended strand (participates in β ladder)trans-107.5125.8173.5-60.1173.3000105.8F211 L229 W241 L507 L508I209-F211 HydrophobicContact CB-CE2 4.29Å; I209-F211 HydrophobicContact CG2-CD2 4.35Å; I209-F211 HydrophobicContact CG2-CE2 3.66Å; I209-F211 HydrophobicContact CG2-CZ 4.01Å; I209-L229 HydrophobicContact CD1-CD2 4.35Å; I209-W241 HydrophobicContact CD1-CB 4.25Å; I209-W241 HydrophobicContact CD1-CD2 3.9Å; I209-W241 HydrophobicContact CD1-CE3 3.82Å; I209-W241 HydrophobicContact CD1-CG 4.09Å; I209-W241 HydrophobicContact CD1-CZ3 4.46Å; I209-W241 HydrophobicContact CG1-CE3 4.37Å; I209-W241 HydrophobicContact CG2-CD2 4.21Å; I209-W241 HydrophobicContact CG2-CE3 3.83Å; I209-W241 HydrophobicContact CG2-CH2 3.39Å; I209-W241 HydrophobicContact CG2-CZ2 3.77Å; I209-W241 HydrophobicContact CG2-CZ3 3.4Å; I209-W241 VanDerWaalsContact CG2-CZ3 3.4Å; I209-L507 WeakPolarHBondContact O-CA 3.48Å; I209-L508 HydrophobicContact CB-CB 4.31Å; I209-L508 HydrophobicContact CD1-CD2 4.29Å; I209-L508 PolarHBondContact N-O 2.96Å; I209-L508 PolarHBondContact O-N 3.22Å
210K85.1Confident81.7Confident148 Ų14871.9 Ų71.964%0.64334%0.344SS*.EExtended strand (participates in β ladder)trans-106.8127-177.7-177.8171.8-175.5176.70109.9L507K210-L507 HydrophobicContact CB-CD2 3.85Å; K210-L507 HydrophobicContact CD-CD2 4.25Å; K210-L507 HydrophobicContact CG-CD2 3.78Å
211F83.2Confident82.6Confident20 Ų2069.3 Ų69.39%0.08833%0.334CS..  trans-94.7168.1174.5-65.9-99.2000110.4I209 S215 V217 T231 E239 W241 G506 L508I209-F211 HydrophobicContact CB-CE2 4.29Å; I209-F211 HydrophobicContact CG2-CD2 4.35Å; I209-F211 HydrophobicContact CG2-CE2 3.66Å; I209-F211 HydrophobicContact CG2-CZ 4.01Å; F211-S215 WeakPolarHBondContact CB-O 3.35Å; F211-V217 HydrophobicContact CD1-CG2 4.08Å; F211-V217 HydrophobicContact CD2-CG2 3.69Å; F211-V217 HydrophobicContact CE1-CG2 3.65Å; F211-V217 HydrophobicContact CE2-CG2 3.25Å; F211-V217 HydrophobicContact CG-CG2 4.11Å; F211-V217 HydrophobicContact CZ-CG2 3.24Å; F211-T231 HydrophobicContact CZ-CG2 4.33Å; F211-E239 VanDerWaalsContact CE1-OE2 3.23Å; F211-E239 WeakPolarHBondContact CE1-OE2 3.41Å; F211-W241 AromaticContact CE1-CZ2 3.76Å; F211-W241 HydrophobicContact CE1-CZ2 3.76Å; F211-W241 HydrophobicContact CZ-CH2 4.48Å; F211-W241 AromaticContact CZ-CZ2 3.65Å; F211-W241 HydrophobicContact CZ-CZ2 3.65Å; F211-G506 WeakPolarHBondContact CB-O 3.17Å; F211-G506 WeakPolarHBondContact CD2-O 3.22Å; F211-G506 PolarHBondContact N-O 3.03Å; F211-L508 HydrophobicContact CE2-CB 4.07Å
212G73.2Confident83.5Confident47 Ų4767.3 Ų67.349%0.48533%0.325SS..  trans-62.1157.417900000112.1K214 S215G212-K214 PolarHBondContact O-N 3.33Å; G212-S215 PolarHBondContact O-N 2.6Å
213Q64.9Low84Confident195 Ų19567.2 Ų67.291%0.91132%0.324SS*.THydrogen-bonded Turntrans-60.2-17.1-173.5-70.8-124.8-8.900115.7
214K73.1Confident84.5Confident197 Ų19766.6 Ų66.686%0.85732%0.322SS*.THydrogen-bonded Turntrans-110.11.6177.4-68.1-173.8176.1-176.30113.5G212G212-K214 PolarHBondContact O-N 3.33Å
215S81.8Confident84.7Confident17 Ų1762.4 Ų62.412%0.11930%0.303CS..  trans-120.2127.1-173.6-166.10000109.4F211 G212 D235F211-S215 WeakPolarHBondContact CB-O 3.35Å; G212-S215 PolarHBondContact O-N 2.6Å; S215-D235 WeakPolarHBondContact CB-OD2 3.31Å; S215-D235 PolarHBondContact OG-OD2 3.48Å
216H86.8Confident84.7Confident38 Ų3859.2 Ų59.218%0.17629%0.289CS..  trans-129.6165.8170.665-99.1000110.9E218 S233 V234 I488H216-E218 IonicContact CD2-OE1 3.69Å; H216-E218 PolarHBondContact CD2-OE1 3.5Å; H216-E218 IonicContact CE1-OE1 2.81Å; H216-E218 IonicContact NE2-OE1 3.17Å; H216-E218 PolarHBondContact NE2-OE1 3.09Å; H216-S233 WeakPolarHBondContact O-CA 3.42Å; H216-V234 VanDerWaalsContact CD2-CG2 3.43Å; H216-V234 WeakPolarHBondContact CD2-CG2 3.24Å; H216-V234 WeakPolarHBondContact CE1-CG2 3.27Å; H216-V234 WeakPolarHBondContact NE2-CG2 3.49Å; H216-V234 PolarHBondContact O-N 3.31Å; H216-I488 VanDerWaalsContact CD2-CD1 3.44Å; H216-I488 WeakPolarHBondContact CD2-CD1 3.32Å
217V91.1Very high84.9Confident2 Ų260.8 Ų60.81%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-92.6121.2-176.31780000108.5F211 C219 T231 I488 Y502F211-V217 HydrophobicContact CD1-CG2 4.08Å; F211-V217 HydrophobicContact CD2-CG2 3.69Å; F211-V217 HydrophobicContact CE1-CG2 3.65Å; F211-V217 HydrophobicContact CE2-CG2 3.25Å; F211-V217 HydrophobicContact CG-CG2 4.11Å; F211-V217 HydrophobicContact CZ-CG2 3.24Å; V217-C219 VanDerWaalsContact CG1-O 3.24Å; V217-C219 WeakPolarHBondContact CG1-O 3.38Å; V217-T231 HydrophobicContact CG1-CG2 4.23Å; V217-I488 WeakPolarHBondContact O-CD1 3.5Å; V217-Y502 HydrophobicContact CB-CD2 4.42Å; V217-Y502 HydrophobicContact CG1-CD2 4.05Å; V217-Y502 HydrophobicContact CG1-CG 4.11Å; V217-Y502 WeakPolarHBondContact O-CD2 3.4Å
218E90.6Very high85.1Confident43 Ų4355.6 Ų55.620%0.20127%0.273CS..EExtended strand (participates in β ladder)trans-87-31.1176.5-76.8-63.9156.300111.6H216 G232 V234 V267 I488 Y502H216-E218 IonicContact CD2-OE1 3.69Å; H216-E218 PolarHBondContact CD2-OE1 3.5Å; H216-E218 IonicContact CE1-OE1 2.81Å; H216-E218 IonicContact NE2-OE1 3.17Å; H216-E218 PolarHBondContact NE2-OE1 3.09Å; E218-G232 PolarHBondContact N-O 3.06Å; E218-V234 HydrophobicContact CG-CG2 3.53Å; E218-V234 WeakPolarHBondContact OE1-CG2 3.42Å; E218-V267 WeakPolarHBondContact CB-O 3.04Å; E218-I488 WeakPolarHBondContact O-CG2 3.4Å; E218-Y502 WeakPolarHBondContact O-CE2 3.49Å
219C90.3Very high85.3Confident9 Ų950.2 Ų50.26%0.06125%0.248CC..EExtended strand (participates in β ladder)trans-148.2144177.255.60000111.9V217 T231 G232 V267 M270V217-C219 VanDerWaalsContact CG1-O 3.24Å; V217-C219 WeakPolarHBondContact CG1-O 3.38Å; C219-T231 WeakPolarHBondContact O-CA 3.3Å; C219-G232 PolarHBondContact N-O 2.93Å; C219-G232 PolarHBondContact O-N 2.97Å; C219-V267 PolarHBondContact SG-O 3.28Å; C219-M270 HydrophobicContact CB-CE 4.36Å; C219-M270 VanDerWaalsContact O-CE 3.32Å; C219-M270 WeakPolarHBondContact O-CE 3.21Å; C219-M270 VanDerWaalsContact SG-CG 3.58Å
220S92.8Very high85.7Confident8 Ų850 Ų506%0.05625%0.247CC..EExtended strand (participates in β ladder)trans-133.3145.6170.890.30000110.7V230 S500 Y502S220-V230 WeakPolarHBondContact CA-O 3.3Å; S220-S500 PolarHBondContact OG-OG 3.3Å; S220-Y502 PolarHBondContact N-OH 3.43Å; S220-Y502 WeakPolarHBondContact OG-CD1 3.49Å; S220-Y502 WeakPolarHBondContact OG-CE1 3.34Å
221R93.3Very high86Confident96 Ų9642.9 Ų42.936%0.36222%0.216SC..EExtended strand (participates in β ladder)trans-148.7138.6177-151.6160.6-170.7160.67111.3V230 M270 C271 F272R221-V230 PolarHBondContact N-O 2.88Å; R221-V230 PolarHBondContact O-N 2.68Å; R221-M270 VanDerWaalsContact CD-O 3.23Å; R221-M270 WeakPolarHBondContact CD-O 3.32Å; R221-M270 PolarHBondContact NH1-O 3.07Å; R221-C271 PolarHBondContact NH1-SG 2.87Å; R221-C271 VanDerWaalsContact NH1-SG 3.45Å; R221-F272 HydrophobicContact CB-CD2 4.26Å; R221-F272 HydrophobicContact CB-CE2 4.17Å; R221-F272 HydrophobicContact CG-CD2 4.27Å
222F92.5Very high86.5Confident9 Ų942 Ų424%0.03921%0.212CC..EExtended strand (participates in β ladder)trans-80.9145.6168.9-68.9-79.1000110.3Y228 L229 F243 A491 H492 H493 L498 S500 L510F222-Y228 WeakPolarHBondContact CA-O 3.38Å; F222-L229 HydrophobicContact CD1-CB 4.06Å; F222-L229 HydrophobicContact CD1-CD1 3.9Å; F222-L229 HydrophobicContact CD2-CD1 4.36Å; F222-L229 HydrophobicContact CE1-CB 3.99Å; F222-L229 HydrophobicContact CE1-CD1 3.77Å; F222-L229 HydrophobicContact CE1-CD2 4.37Å; F222-L229 HydrophobicContact CE1-CG 4.26Å; F222-L229 HydrophobicContact CE2-CD1 4.23Å; F222-L229 HydrophobicContact CG-CD1 4.23Å; F222-L229 HydrophobicContact CZ-CD1 3.95Å; F222-F243 HydrophobicContact CD1-CD1 4.36Å; F222-F243 HydrophobicContact CE1-CB 4.05Å; F222-F243 HydrophobicContact CE1-CD1 4.18Å; F222-F243 HydrophobicContact CE1-CG 4.11Å; F222-A491 HydrophobicContact CD2-CB 4.12Å; F222-A491 HydrophobicContact CE2-CB 4.3Å; F222-H492 VanDerWaalsContact CD2-C 3.43Å; F222-H492 WeakPolarHBondContact CD2-O 3.28Å; F222-H493 HydrophobicContact CD1-CB 4.36Å; F222-H493 AromaticContact CD1-CD2 3.54Å; F222-H493 HydrophobicContact CD2-CB 4.27Å; F222-H493 HydrophobicContact CE1-CB 4.4Å; F222-H493 AromaticContact CE1-CD2 3.89Å; F222-H493 HydrophobicContact CE2-CB 4.32Å; F222-H493 HydrophobicContact CG-CB 4.27Å; F222-H493 HydrophobicContact CZ-CB 4.38Å; F222-L498 HydrophobicContact CE1-CD2 3.99Å; F222-L498 HydrophobicContact CZ-CD2 4.01Å; F222-L498 HydrophobicContact CZ-CG 4.17Å; F222-S500 WeakPolarHBondContact CE2-OG 3.39Å; F222-L510 HydrophobicContact CZ-CD2 4.16Å
223S90.5Very high87.4Confident0 Ų039.8 Ų39.80%019%0.19CC..  trans-69.2142.4171.561.70000110.4D225 G226 Q227 Y228 P494S223-D225 WeakPolarHBondContact CB-OD1 3.47Å; S223-D225 PolarHBondContact O-N 3.25Å; S223-D225 VanDerWaalsContact O-N 3.14Å; S223-D225 PolarHBondContact OG-OD1 2.83Å; S223-G226 WeakPolarHBondContact O-CA 3.46Å; S223-G226 PolarHBondContact O-N 2.77Å; S223-Q227 PolarHBondContact OG-N 3.01Å; S223-Q227 VanDerWaalsContact OG-N 3.14Å; S223-Y228 PolarHBondContact N-O 2.74Å; S223-Y228 PolarHBondContact OG-N 3.32Å; S223-Y228 PolarHBondContact OG-O 3.47Å; S223-P494 WeakPolarHBondContact O-CG 3.32Å
224P86.5Confident88.6Confident45 Ų4532.7 Ų32.729%0.29216%0.159SC..THydrogen-bonded Turntrans-53.8-27.8177.2-33.233.3000116.2G226 F272 T276 H495P224-G226 VanDerWaalsContact C-N 3.29Å; P224-F272 HydrophobicContact CG-CB 3.95Å; P224-T276 HydrophobicContact CB-CG2 3.9Å; P224-T276 HydrophobicContact CG-CG2 3.99Å; P224-H495 PolarHBondContact O-NE2 2.71Å; P224-H495 VanDerWaalsContact O-NE2 3.12Å
225D83.8Confident89.4Confident45 Ų4527.3 Ų27.324%0.24114%0.14CC..THydrogen-bonded Turntrans-79.9-8.2174.769.1-8.8000113.6S223 Q227 T276 H495S223-D225 WeakPolarHBondContact CB-OD1 3.47Å; S223-D225 PolarHBondContact O-N 3.25Å; S223-D225 VanDerWaalsContact O-N 3.14Å; S223-D225 PolarHBondContact OG-OD1 2.83Å; D225-Q227 VanDerWaalsContact C-N 3.31Å; D225-Q227 HydrophobicContact CB-CG 4.32Å; D225-Q227 PolarHBondContact O-N 3.22Å; D225-Q227 WeakPolarHBondContact OD1-CB 3.3Å; D225-Q227 PolarHBondContact OD1-N 2.96Å; D225-Q227 WeakPolarHBondContact OD2-CB 3.33Å; D225-Q227 VanDerWaalsContact OD2-CG 3.24Å; D225-Q227 WeakPolarHBondContact OD2-CG 3.07Å; D225-Q227 PolarHBondContact OD2-NE2 3.34Å; D225-Q227 PolarHBondContact OD2-OE1 2.9Å; D225-T276 HydrophobicContact CB-CG2 3.97Å; D225-H495 PolarHBondContact O-CD2 2.85Å
226G83.4Confident89.7Confident10 Ų1026.5 Ų26.510%0.10313%0.134CC..SBendtrans6823.9-177.600000114.6S223 P224 F243 H493S223-G226 WeakPolarHBondContact O-CA 3.46Å; S223-G226 PolarHBondContact O-N 2.77Å; P224-G226 VanDerWaalsContact C-N 3.29Å; G226-F243 WeakPolarHBondContact O-CE1 3.32Å; G226-F243 WeakPolarHBondContact O-CZ 3.49Å; G226-H493 WeakPolarHBondContact CA-NE2 3.36Å; G226-H493 PolarHBondContact O-NE2 3.45Å
227Q84.5Confident89.9Confident90 Ų9028.4 Ų28.442%0.42114%0.142SC..SBendtrans-95.1-31.1179.1-65.9-173.917.600113.5S223 D225 R249S223-Q227 PolarHBondContact OG-N 3.01Å; S223-Q227 VanDerWaalsContact OG-N 3.14Å; D225-Q227 VanDerWaalsContact C-N 3.31Å; D225-Q227 HydrophobicContact CB-CG 4.32Å; D225-Q227 PolarHBondContact O-N 3.22Å; D225-Q227 WeakPolarHBondContact OD1-CB 3.3Å; D225-Q227 PolarHBondContact OD1-N 2.96Å; D225-Q227 WeakPolarHBondContact OD2-CB 3.33Å; D225-Q227 VanDerWaalsContact OD2-CG 3.24Å; D225-Q227 WeakPolarHBondContact OD2-CG 3.07Å; D225-Q227 PolarHBondContact OD2-NE2 3.34Å; D225-Q227 PolarHBondContact OD2-OE1 2.9Å; Q227-R249 PolarHBondContact O-NH2 2.97Å
228Y87.4Confident89.9Confident30 Ų3028.3 Ų28.312%0.11814%0.142CC..  trans-124.5141.3-169.3-49.7-78.2000110.7F222 S223 V240 R249F222-Y228 WeakPolarHBondContact CA-O 3.38Å; S223-Y228 PolarHBondContact N-O 2.74Å; S223-Y228 PolarHBondContact OG-N 3.32Å; S223-Y228 PolarHBondContact OG-O 3.47Å; Y228-V240 HydrophobicContact CD1-CG1 3.69Å; Y228-V240 HydrophobicContact CG-CG1 4.19Å; Y228-R249 VanDerWaalsContact CE1-NH1 3.27Å
229L91.3Very high89.9Confident0 Ų027.8 Ų27.80%014%0.139CC..EExtended strand (participates in β ladder)trans-109.2123.1161.2171.264.8000107I209 F222 W241 F243 L508 L510I209-L229 HydrophobicContact CD1-CD2 4.35Å; F222-L229 HydrophobicContact CD1-CB 4.06Å; F222-L229 HydrophobicContact CD1-CD1 3.9Å; F222-L229 HydrophobicContact CD2-CD1 4.36Å; F222-L229 HydrophobicContact CE1-CB 3.99Å; F222-L229 HydrophobicContact CE1-CD1 3.77Å; F222-L229 HydrophobicContact CE1-CD2 4.37Å; F222-L229 HydrophobicContact CE1-CG 4.26Å; F222-L229 HydrophobicContact CE2-CD1 4.23Å; F222-L229 HydrophobicContact CG-CD1 4.23Å; F222-L229 HydrophobicContact CZ-CD1 3.95Å; L229-W241 HydrophobicContact CB-CB 4.26Å; L229-W241 PolarHBondContact N-O 2.96Å; L229-W241 VanDerWaalsContact N-O 3.11Å; L229-W241 PolarHBondContact O-N 3.5Å; L229-F243 HydrophobicContact CB-CB 4.1Å; L229-F243 HydrophobicContact CB-CD1 4.44Å; L229-F243 HydrophobicContact CD2-CB 4.27Å; L229-L508 HydrophobicContact CD2-CD1 4.32Å; L229-L508 HydrophobicContact CD2-CD2 4.05Å; L229-L510 HydrophobicContact CD2-CD2 4.11Å
230V93Very high90Very high0 Ų027.3 Ų27.30%014%0.136CC..EExtended strand (participates in β ladder)trans-112.7137.7178.31760000109.9S220 R221 I238 E239 V240 M270 F272 L279S220-V230 WeakPolarHBondContact CA-O 3.3Å; R221-V230 PolarHBondContact N-O 2.88Å; R221-V230 PolarHBondContact O-N 2.68Å; V230-I238 HydrophobicContact CG1-CG2 3.57Å; V230-E239 CarbonylContact C-O 3.53Å; V230-E239 VanDerWaalsContact CA-O 3.27Å; V230-E239 WeakPolarHBondContact CA-O 3.44Å; V230-V240 HydrophobicContact CG2-CB 4.22Å; V230-V240 HydrophobicContact CG2-CG1 4.07Å; V230-V240 HydrophobicContact CG2-CG2 3.79Å; V230-M270 HydrophobicContact CG1-CE 4.05Å; V230-M270 HydrophobicContact CG1-SD 3.85Å; V230-M270 WeakPolarHBondContact O-CE 3.24Å; V230-F272 HydrophobicContact CB-CE2 4.1Å; V230-F272 HydrophobicContact CB-CZ 3.86Å; V230-F272 HydrophobicContact CG2-CE1 4.36Å; V230-F272 HydrophobicContact CG2-CE2 4.21Å; V230-F272 HydrophobicContact CG2-CZ 3.47Å; V230-F272 VanDerWaalsContact CG2-CZ 3.47Å; V230-L279 HydrophobicContact CG1-CD1 4.43Å; V230-L279 HydrophobicContact CG1-CD2 3.8Å
231T92.8Very high89.8Confident0 Ų027.9 Ų27.90%014%0.137CC..EExtended strand (participates in β ladder)trans-123.4136.1-18058.20000110.1F211 V217 C219 I238 E239 W241 L508F211-T231 HydrophobicContact CZ-CG2 4.33Å; V217-T231 HydrophobicContact CG1-CG2 4.23Å; C219-T231 WeakPolarHBondContact O-CA 3.3Å; T231-I238 WeakPolarHBondContact O-CA 3.3Å; T231-E239 PolarHBondContact N-O 3.28Å; T231-E239 PolarHBondContact O-N 2.81Å; T231-W241 PolarHBondContact OG1-NE1 3.49Å; T231-L508 HydrophobicContact CG2-CD1 3.42Å; T231-L508 VanDerWaalsContact CG2-CD1 3.42Å
232G92.8Very high89.5Confident0 Ų025.3 Ų25.30%013%0.13CC..EExtended strand (participates in β ladder)trans-104.7126.7168.300000109E218 C219 M270E218-G232 PolarHBondContact N-O 3.06Å; C219-G232 PolarHBondContact N-O 2.93Å; C219-G232 PolarHBondContact O-N 2.97Å; G232-M270 VanDerWaalsContact N-CE 3.33Å
233S91.7Very high89.1Confident2 Ų225.5 Ų25.51%0.01413%0.131CC..EExtended strand (participates in β ladder)trans-97.8162.9179.860.50000112H216 D235 G236 F237 V267H216-S233 WeakPolarHBondContact O-CA 3.42Å; S233-D235 PolarHBondContact O-N 3.29Å; S233-G236 PolarHBondContact O-N 3.32Å; S233-F237 PolarHBondContact N-O 3.49Å; S233-F237 WeakPolarHBondContact OG-CA 3.23Å; S233-F237 WeakPolarHBondContact OG-CB 3.17Å; S233-F237 PolarHBondContact OG-N 2.87Å; S233-F237 VanDerWaalsContact OG-N 3.07Å; S233-F237 PolarHBondContact OG-O 2.81Å; S233-V267 PolarHBondContact O-N 2.89Å
234V90.9Very high88.7Confident45 Ų4529.6 Ų29.627%0.27316%0.156SC..THydrogen-bonded Turntrans-60.7-31.2169.9-178.60000112.1H216 E218 G236 A266H216-V234 VanDerWaalsContact CD2-CG2 3.43Å; H216-V234 WeakPolarHBondContact CD2-CG2 3.24Å; H216-V234 WeakPolarHBondContact CE1-CG2 3.27Å; H216-V234 WeakPolarHBondContact NE2-CG2 3.49Å; H216-V234 PolarHBondContact O-N 3.31Å; E218-V234 HydrophobicContact CG-CG2 3.53Å; E218-V234 WeakPolarHBondContact OE1-CG2 3.42Å; V234-G236 PolarHBondContact O-N 3.3Å; V234-G236 VanDerWaalsContact O-N 3.12Å; V234-A266 HydrophobicContact CG1-CB 4.17Å; V234-A266 WeakPolarHBondContact O-CA 3.41Å; V234-A266 WeakPolarHBondContact O-CB 3.48Å
235D89.1Confident88.5Confident85 Ų8530.8 Ų30.846%0.45516%0.163SC..THydrogen-bonded Turntrans-73.70.7179.7-61.4-44.8000113.1S215 S233 F237S215-D235 WeakPolarHBondContact CB-OD2 3.31Å; S215-D235 PolarHBondContact OG-OD2 3.48Å; S233-D235 PolarHBondContact O-N 3.29Å; D235-F237 VanDerWaalsContact C-N 3.32Å; D235-F237 HydrophobicContact CB-CD2 3.85Å; D235-F237 HydrophobicContact CB-CE2 4.31Å; D235-F237 PolarHBondContact O-N 2.94Å
236G88.1Confident88.2Confident0 Ų029.5 Ų29.50%016%0.16CC..SBendtrans86.8-3.3-179.600000114.2S233 V234 M262 M263 D265S233-G236 PolarHBondContact O-N 3.32Å; V234-G236 PolarHBondContact O-N 3.3Å; V234-G236 VanDerWaalsContact O-N 3.12Å; G236-M262 CarbonylContact O-C 3.22Å; G236-M262 WeakPolarHBondContact O-CA 3.35Å; G236-M263 PolarHBondContact O-N 3.41Å; G236-D265 WeakPolarHBondContact CA-O 3.37Å
237F90.9Very high88.2Confident78 Ų7836.2 Ų36.234%0.34219%0.187SC..EExtended strand (participates in β ladder)trans-79.7140178.5-69.5-72.7000112.3S233 D235 F260 M262S233-F237 PolarHBondContact N-O 3.49Å; S233-F237 WeakPolarHBondContact OG-CA 3.23Å; S233-F237 WeakPolarHBondContact OG-CB 3.17Å; S233-F237 PolarHBondContact OG-N 2.87Å; S233-F237 VanDerWaalsContact OG-N 3.07Å; S233-F237 PolarHBondContact OG-O 2.81Å; D235-F237 VanDerWaalsContact C-N 3.32Å; D235-F237 HydrophobicContact CB-CD2 3.85Å; D235-F237 HydrophobicContact CB-CE2 4.31Å; D235-F237 PolarHBondContact O-N 2.94Å; F237-F260 HydrophobicContact CD1-CB 3.77Å; F237-F260 HydrophobicContact CD1-CG 4.37Å; F237-F260 HydrophobicContact CE1-CB 4.27Å; F237-M262 HydrophobicContact CD1-CB 4.29Å; F237-M262 HydrophobicContact CE1-CB 4.42Å
238I91.8Very high88.3Confident0 Ų034.5 Ų34.50%018%0.18CC..EExtended strand (participates in β ladder)trans-115.6116.3175.2-57.2152.8000108.5V230 T231 M261 M263 V267 M270 L279 T281 W291V230-I238 HydrophobicContact CG1-CG2 3.57Å; T231-I238 WeakPolarHBondContact O-CA 3.3Å; I238-M261 HydrophobicContact CB-CB 3.89Å; I238-M261 HydrophobicContact CD1-CB 4.12Å; I238-M261 HydrophobicContact CG2-CB 4.43Å; I238-M261 HydrophobicContact CG2-CE 4.17Å; I238-M261 PolarHBondContact N-O 2.78Å; I238-M263 HydrophobicContact CD1-CG 4.18Å; I238-V267 HydrophobicContact CG1-CG2 4.11Å; I238-M270 HydrophobicContact CG2-SD 4.18Å; I238-L279 HydrophobicContact CG2-CD2 3.75Å; I238-T281 HydrophobicContact CD1-CG2 3.43Å; I238-T281 VanDerWaalsContact CD1-CG2 3.43Å; I238-T281 HydrophobicContact CG1-CG2 4.1Å; I238-W291 HydrophobicContact CD1-CZ2 4.38Å
239E90.9Very high88Confident31 Ų3135.2 Ų35.215%0.14518%0.182CC..EExtended strand (participates in β ladder)trans-118.1145.8-172.5-64.6176.913300111.4F211 V230 T231 W241 F260F211-E239 VanDerWaalsContact CE1-OE2 3.23Å; F211-E239 WeakPolarHBondContact CE1-OE2 3.41Å; V230-E239 CarbonylContact C-O 3.53Å; V230-E239 VanDerWaalsContact CA-O 3.27Å; V230-E239 WeakPolarHBondContact CA-O 3.44Å; T231-E239 PolarHBondContact N-O 3.28Å; T231-E239 PolarHBondContact O-N 2.81Å; E239-W241 HydrophobicContact CB-CZ2 4.25Å; E239-W241 VanDerWaalsContact OE2-CZ2 3.26Å; E239-W241 WeakPolarHBondContact OE2-CZ2 3.37Å; E239-F260 HydrophobicContact CG-CD1 4.18Å; E239-F260 HydrophobicContact CG-CE1 4.37Å
240V91.8Very high87.2Confident0 Ų043 Ų430%022%0.216CC..EExtended strand (participates in β ladder)trans-116.9119.5-176.6-174.90000108Y228 V230 R249 L252 Q255 M261Y228-V240 HydrophobicContact CD1-CG1 3.69Å; Y228-V240 HydrophobicContact CG-CG1 4.19Å; V230-V240 HydrophobicContact CG2-CB 4.22Å; V230-V240 HydrophobicContact CG2-CG1 4.07Å; V230-V240 HydrophobicContact CG2-CG2 3.79Å; V240-R249 PolarHBondContact O-N 2.94Å; V240-L252 HydrophobicContact CB-CD1 3.88Å; V240-L252 HydrophobicContact CG1-CD1 3.84Å; V240-L252 HydrophobicContact CG2-CD1 4.05Å; V240-Q255 VanDerWaalsContact CG2-NE2 3.34Å; V240-Q255 PolarHBondContact O-OE1 3.38Å; V240-M261 HydrophobicContact CG2-CE 3.85Å
241W89.9Confident86.3Confident20 Ų2049.3 Ų49.38%0.07625%0.25CC..EExtended strand (participates in β ladder)trans-112146.8-172.7-57.186000110.6I209 F211 L229 T231 E239 I248I209-W241 HydrophobicContact CD1-CB 4.25Å; I209-W241 HydrophobicContact CD1-CD2 3.9Å; I209-W241 HydrophobicContact CD1-CE3 3.82Å; I209-W241 HydrophobicContact CD1-CG 4.09Å; I209-W241 HydrophobicContact CD1-CZ3 4.46Å; I209-W241 HydrophobicContact CG1-CE3 4.37Å; I209-W241 HydrophobicContact CG2-CD2 4.21Å; I209-W241 HydrophobicContact CG2-CE3 3.83Å; I209-W241 HydrophobicContact CG2-CH2 3.39Å; I209-W241 HydrophobicContact CG2-CZ2 3.77Å; I209-W241 HydrophobicContact CG2-CZ3 3.4Å; I209-W241 VanDerWaalsContact CG2-CZ3 3.4Å; F211-W241 AromaticContact CE1-CZ2 3.76Å; F211-W241 HydrophobicContact CE1-CZ2 3.76Å; F211-W241 HydrophobicContact CZ-CH2 4.48Å; F211-W241 AromaticContact CZ-CZ2 3.65Å; F211-W241 HydrophobicContact CZ-CZ2 3.65Å; L229-W241 HydrophobicContact CB-CB 4.26Å; L229-W241 PolarHBondContact N-O 2.96Å; L229-W241 VanDerWaalsContact N-O 3.11Å; L229-W241 PolarHBondContact O-N 3.5Å; T231-W241 PolarHBondContact OG1-NE1 3.49Å; E239-W241 HydrophobicContact CB-CZ2 4.25Å; E239-W241 VanDerWaalsContact OE2-CZ2 3.26Å; E239-W241 WeakPolarHBondContact OE2-CZ2 3.37Å; W241-I248 HydrophobicContact CD2-CG1 4.12Å; W241-I248 HydrophobicContact CE3-CG1 3.69Å; W241-I248 HydrophobicContact CH2-CD1 3.89Å; W241-I248 HydrophobicContact CH2-CG1 3.51Å; W241-I248 HydrophobicContact CZ2-CD1 4.3Å; W241-I248 HydrophobicContact CZ2-CG1 3.96Å; W241-I248 HydrophobicContact CZ3-CD1 4.21Å; W241-I248 HydrophobicContact CZ3-CG1 3.36Å
242N86.8Confident85.7Confident41 Ų4150 Ų5022%0.21925%0.254CS..EExtended strand (participates in β ladder)trans-86.9108.1158.9-177.3-31.2000108T244 T245 G246 K247 R249N242-T244 PolarHBondContact O-N 3.49Å; N242-T244 WeakPolarHBondContact OD1-CB 3.3Å; N242-T244 PolarHBondContact OD1-N 3.29Å; N242-T245 WeakPolarHBondContact CB-OG1 3.47Å; N242-T245 PolarHBondContact O-N 2.94Å; N242-T245 PolarHBondContact O-OG1 3.32Å; N242-T245 PolarHBondContact OD1-N 2.95Å; N242-G246 WeakPolarHBondContact O-CA 3.44Å; N242-G246 PolarHBondContact O-N 3.12Å; N242-K247 PolarHBondContact N-O 2.98Å; N242-R249 HydrophobicContact CB-CG 4Å
243F83.8Confident84.8Confident14 Ų1458 Ų586%0.06129%0.288CS..THydrogen-bonded Turntrans-65.3-21.8-177.158.6-96.2000113.6F222 G226 L229 H493 L498 L510F222-F243 HydrophobicContact CD1-CD1 4.36Å; F222-F243 HydrophobicContact CE1-CB 4.05Å; F222-F243 HydrophobicContact CE1-CD1 4.18Å; F222-F243 HydrophobicContact CE1-CG 4.11Å; G226-F243 WeakPolarHBondContact O-CE1 3.32Å; G226-F243 WeakPolarHBondContact O-CZ 3.49Å; L229-F243 HydrophobicContact CB-CB 4.1Å; L229-F243 HydrophobicContact CB-CD1 4.44Å; L229-F243 HydrophobicContact CD2-CB 4.27Å; F243-H493 AromaticContact CE1-NE2 3.71Å; F243-H493 AromaticContact CZ-CD2 3.94Å; F243-H493 AromaticContact CZ-NE2 3.42Å; F243-H493 WeakPolarHBondContact CZ-NE2 3.35Å; F243-L498 HydrophobicContact CB-CD2 4.19Å; F243-L498 HydrophobicContact CD2-CD2 3.37Å; F243-L498 HydrophobicContact CE2-CD2 3.96Å; F243-L498 HydrophobicContact CG-CD2 3.95Å; F243-L510 HydrophobicContact CB-CD1 3.94Å; F243-L510 WeakPolarHBondContact O-CD1 3.37Å
244T82.4Confident84.3Confident86 Ų8658.8 Ų58.853%0.52829%0.291SS..THydrogen-bonded Turntrans-75.6-40.6177.4-55.70000111.3N242N242-T244 PolarHBondContact O-N 3.49Å; N242-T244 WeakPolarHBondContact OD1-CB 3.3Å; N242-T244 PolarHBondContact OD1-N 3.29Å
245T81.2Confident83.7Confident70 Ų7056.9 Ų56.943%0.42928%0.279SS..THydrogen-bonded Turntrans-93.7-18.1-177.363.10000113.1N242 K247N242-T245 WeakPolarHBondContact CB-OG1 3.47Å; N242-T245 PolarHBondContact O-N 2.94Å; N242-T245 PolarHBondContact O-OG1 3.32Å; N242-T245 PolarHBondContact OD1-N 2.95Å; T245-K247 PolarHBondContact O-N 3.24Å; T245-K247 PolarHBondContact OG1-N 3.11Å
246G78Confident82.7Confident18 Ų1855.4 Ų55.419%0.18628%0.279CS..THydrogen-bonded Turntrans67.718-174.100000113.3N242N242-G246 WeakPolarHBondContact O-CA 3.44Å; N242-G246 PolarHBondContact O-N 3.12Å
247K84.1Confident82Confident151 Ų15161.7 Ų61.766%0.65731%0.308SS*.EExtended strand (participates in β ladder)trans-111.4148.9-178.9-67.1-176.8178.9-178.70110.8N242 T245N242-K247 PolarHBondContact N-O 2.98Å; T245-K247 PolarHBondContact O-N 3.24Å; T245-K247 PolarHBondContact OG1-N 3.11Å
248I85.4Confident81.1Confident53 Ų5363.7 Ų63.727%0.27232%0.323SS..EExtended strand (participates in β ladder)trans-58.2137.4170.1-59.3177.3000108.7W241 K250 Q255W241-I248 HydrophobicContact CD2-CG1 4.12Å; W241-I248 HydrophobicContact CE3-CG1 3.69Å; W241-I248 HydrophobicContact CH2-CD1 3.89Å; W241-I248 HydrophobicContact CH2-CG1 3.51Å; W241-I248 HydrophobicContact CZ2-CD1 4.3Å; W241-I248 HydrophobicContact CZ2-CG1 3.96Å; W241-I248 HydrophobicContact CZ3-CD1 4.21Å; W241-I248 HydrophobicContact CZ3-CG1 3.36Å; I248-K250 PolarHBondContact O-N 2.91Å; I248-Q255 HydrophobicContact CG2-CB 4.45Å; I248-Q255 HydrophobicContact CG2-CG 4.45Å
249R81.3Confident80.4Confident45 Ų4569 Ų6917%0.1735%0.351CS..  trans-74.9105.9177.8-82.2-155.7-179.2-153.99.4110.8Q227 Y228 V240 N242 D251 L252 Q255Q227-R249 PolarHBondContact O-NH2 2.97Å; Y228-R249 VanDerWaalsContact CE1-NH1 3.27Å; V240-R249 PolarHBondContact O-N 2.94Å; N242-R249 HydrophobicContact CB-CG 4Å; R249-D251 PolarHBondContact O-N 3.44Å; R249-L252 HydrophobicContact CB-CD1 4.28Å; R249-Q255 PolarHBondContact O-OE1 3.01Å
250K74.9Confident80Confident165 Ų16569.7 Ų69.772%0.71735%0.354SS*.THydrogen-bonded Turntrans-78.8-4.4171.2-62.9-167.9176-166.20114.1I248 L252 A256I248-K250 PolarHBondContact O-N 2.91Å; K250-L252 PolarHBondContact O-N 3.37Å; K250-A256 HydrophobicContact CB-CB 4.49Å; K250-A256 WeakPolarHBondContact O-CB 3.01Å
251D74.3Confident79.6Confident131 Ų13169.8 Ų69.870%0.70135%0.354SS*.THydrogen-bonded Turntrans-67-26.4173.7-57.8-27.2000111.6R249 K253R249-D251 PolarHBondContact O-N 3.44Å; D251-K253 PolarHBondContact O-N 2.95Å
252L79.5Confident79.6Confident16 Ų1673.4 Ų73.48%0.08437%0.373CS..SBendtrans-81.2109.5175.8-66.2167.4000108.7V240 R249 K250 Y254 Q255 A256V240-L252 HydrophobicContact CB-CD1 3.88Å; V240-L252 HydrophobicContact CG1-CD1 3.84Å; V240-L252 HydrophobicContact CG2-CD1 4.05Å; R249-L252 HydrophobicContact CB-CD1 4.28Å; K250-L252 PolarHBondContact O-N 3.37Å; L252-Y254 HydrophobicContact CB-CD1 4.13Å; L252-Y254 HydrophobicContact CB-CE1 3.67Å; L252-Y254 HydrophobicContact CD1-CE1 4.31Å; L252-Y254 HydrophobicContact CD2-CE1 3.97Å; L252-Y254 HydrophobicContact CG-CE1 4.18Å; L252-Y254 PolarHBondContact O-N 3.1Å; L252-Y254 VanDerWaalsContact O-N 3.07Å; L252-Q255 HydrophobicContact CB-CB 4.33Å; L252-Q255 PolarHBondContact O-N 3.45Å; L252-A256 PolarHBondContact O-N 2.92Å
253K74.7Confident79.7Confident168 Ų16871.6 Ų71.673%0.7336%0.363SS*.Hα-helixtrans-53-34.9-173.1-67.8-175.4-179.7-179.90113.6D251 A256 Q257D251-K253 PolarHBondContact O-N 2.95Å; K253-A256 PolarHBondContact O-N 3.26Å; K253-Q257 WeakPolarHBondContact O-CB 3.47Å; K253-Q257 VanDerWaalsContact O-CG 3.23Å; K253-Q257 WeakPolarHBondContact O-CG 3.34Å; K253-Q257 PolarHBondContact O-N 2.92Å
254Y80.1Confident79.8Confident17 Ų1776 Ų767%0.06739%0.387CS..Hα-helixtrans-70.4-41.1179.363.8-90.9000112.3L252 Q257 D258 N259 M261 I293 S295 G296L252-Y254 HydrophobicContact CB-CD1 4.13Å; L252-Y254 HydrophobicContact CB-CE1 3.67Å; L252-Y254 HydrophobicContact CD1-CE1 4.31Å; L252-Y254 HydrophobicContact CD2-CE1 3.97Å; L252-Y254 HydrophobicContact CG-CE1 4.18Å; L252-Y254 PolarHBondContact O-N 3.1Å; L252-Y254 VanDerWaalsContact O-N 3.07Å; Y254-Q257 CarbonylContact O-C 3.46Å; Y254-Q257 PolarHBondContact O-N 2.91Å; Y254-D258 PolarHBondContact O-N 2.74Å; Y254-N259 WeakPolarHBondContact CD2-O 3.29Å; Y254-N259 PolarHBondContact O-N 3.46Å; Y254-M261 HydrophobicContact CE2-CE 3.86Å; Y254-M261 HydrophobicContact CE2-CG 4.26Å; Y254-M261 WeakPolarHBondContact OH-CE 3.47Å; Y254-I293 WeakPolarHBondContact CE1-O 3.46Å; Y254-I293 PolarHBondContact OH-O 2.77Å; Y254-S295 WeakPolarHBondContact CD1-O 3.39Å; Y254-G296 VanDerWaalsContact CE1-CA 3.47Å
255Q78.3Confident80.2Confident5 Ų574.8 Ų74.82%0.02338%0.378CS..Hα-helixtrans-71-31.4174.3-91.5172.51.700112.5V240 I248 R249 L252 Q257 D258 F260V240-Q255 VanDerWaalsContact CG2-NE2 3.34Å; V240-Q255 PolarHBondContact O-OE1 3.38Å; I248-Q255 HydrophobicContact CG2-CB 4.45Å; I248-Q255 HydrophobicContact CG2-CG 4.45Å; R249-Q255 PolarHBondContact O-OE1 3.01Å; L252-Q255 HydrophobicContact CB-CB 4.33Å; L252-Q255 PolarHBondContact O-N 3.45Å; Q255-Q257 PolarHBondContact O-N 3.2Å; Q255-D258 PolarHBondContact O-N 3.46Å; Q255-F260 HydrophobicContact CB-CE1 4.42Å; Q255-F260 HydrophobicContact CG-CD1 3.73Å; Q255-F260 HydrophobicContact CG-CE1 3.75Å
256A69.5Low80.7Confident55 Ų5571.6 Ų71.646%0.45536%0.359SS..Hα-helixtrans-67.7-21.4172.600000113.2K250 L252 K253K250-A256 HydrophobicContact CB-CB 4.49Å; K250-A256 WeakPolarHBondContact O-CB 3.01Å; L252-A256 PolarHBondContact O-N 2.92Å; K253-A256 PolarHBondContact O-N 3.26Å
257Q72.8Confident81.4Confident131 Ų13170.8 Ų70.861%0.61235%0.35SS*.THydrogen-bonded Turntrans-105.413.8179.7-68174.9-300112.6K253 Y254 Q255 N259K253-Q257 WeakPolarHBondContact O-CB 3.47Å; K253-Q257 VanDerWaalsContact O-CG 3.23Å; K253-Q257 WeakPolarHBondContact O-CG 3.34Å; K253-Q257 PolarHBondContact O-N 2.92Å; Y254-Q257 CarbonylContact O-C 3.46Å; Y254-Q257 PolarHBondContact O-N 2.91Å; Q255-Q257 PolarHBondContact O-N 3.2Å; Q257-N259 PolarHBondContact O-N 2.86Å
258D72.7Confident81.8Confident121 Ų12165.2 Ų65.265%0.64733%0.327SS*.THydrogen-bonded Turntrans56.318.3-176.7-62-33.7000115.4Y254 Q255 F260Y254-D258 PolarHBondContact O-N 2.74Å; Q255-D258 PolarHBondContact O-N 3.46Å; D258-F260 VanDerWaalsContact C-N 3.28Å; D258-F260 HydrophobicContact CB-CE2 3.95Å; D258-F260 VanDerWaalsContact O-CD2 3.32Å; D258-F260 WeakPolarHBondContact O-CD2 3.48Å; D258-F260 PolarHBondContact O-N 2.48Å; D258-F260 VanDerWaalsContact O-N 3.12Å
259N77.2Confident82.2Confident110 Ų11063.2 Ų63.259%0.58832%0.317SS*.  trans-87.866.7172.3-76.7-33.5000109.9Y254 Q257Y254-N259 WeakPolarHBondContact CD2-O 3.29Å; Y254-N259 PolarHBondContact O-N 3.46Å; Q257-N259 PolarHBondContact O-N 2.86Å
260F80.8Confident82.8Confident47 Ų4761.4 Ų61.421%0.20631%0.311CS..  trans-64.1151.8-179.2-63.3-83000112.5F237 E239 Q255 D258 M262F237-F260 HydrophobicContact CD1-CB 3.77Å; F237-F260 HydrophobicContact CD1-CG 4.37Å; F237-F260 HydrophobicContact CE1-CB 4.27Å; E239-F260 HydrophobicContact CG-CD1 4.18Å; E239-F260 HydrophobicContact CG-CE1 4.37Å; Q255-F260 HydrophobicContact CB-CE1 4.42Å; Q255-F260 HydrophobicContact CG-CD1 3.73Å; Q255-F260 HydrophobicContact CG-CE1 3.75Å; D258-F260 VanDerWaalsContact C-N 3.28Å; D258-F260 HydrophobicContact CB-CE2 3.95Å; D258-F260 VanDerWaalsContact O-CD2 3.32Å; D258-F260 WeakPolarHBondContact O-CD2 3.48Å; D258-F260 PolarHBondContact O-N 2.48Å; D258-F260 VanDerWaalsContact O-N 3.12Å; F260-M262 PolarHBondContact O-N 3.15Å
261M85Confident83.7Confident1 Ų153.9 Ų53.91%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-66.6126.5166.3-70.3176.6-74.900107.6I238 V240 Y254 W291I238-M261 HydrophobicContact CB-CB 3.89Å; I238-M261 HydrophobicContact CD1-CB 4.12Å; I238-M261 HydrophobicContact CG2-CB 4.43Å; I238-M261 HydrophobicContact CG2-CE 4.17Å; I238-M261 PolarHBondContact N-O 2.78Å; V240-M261 HydrophobicContact CG2-CE 3.85Å; Y254-M261 HydrophobicContact CE2-CE 3.86Å; Y254-M261 HydrophobicContact CE2-CG 4.26Å; Y254-M261 WeakPolarHBondContact OH-CE 3.47Å; M261-W291 HydrophobicContact CB-CD2 4.12Å; M261-W291 HydrophobicContact CB-CE3 4.03Å; M261-W291 HydrophobicContact CB-CH2 4.36Å; M261-W291 HydrophobicContact CB-CZ2 4.43Å; M261-W291 HydrophobicContact CB-CZ3 4.15Å; M261-W291 HydrophobicContact CG-CD2 3.97Å; M261-W291 HydrophobicContact CG-CE3 3.64Å; M261-W291 HydrophobicContact CG-CG 4.39Å; M261-W291 HydrophobicContact CG-CZ3 4.06Å; M261-W291 HydrophobicContact SD-CB 3.62Å; M261-W291 HydrophobicContact SD-CD2 4.08Å; M261-W291 HydrophobicContact SD-CE3 4.17Å; M261-W291 HydrophobicContact SD-CG 3.86Å
262M89.8Confident84.6Confident97 Ų9748.1 Ų48.148%0.47825%0.248SC..EExtended strand (participates in β ladder)trans-136.2140.5-174.169179.8-60.700113.7G236 F237 F260 K289 W291G236-M262 CarbonylContact O-C 3.22Å; G236-M262 WeakPolarHBondContact O-CA 3.35Å; F237-M262 HydrophobicContact CD1-CB 4.29Å; F237-M262 HydrophobicContact CE1-CB 4.42Å; F260-M262 PolarHBondContact O-N 3.15Å; M262-K289 PolarHBondContact O-NZ 2.83Å; M262-K289 VanDerWaalsContact O-NZ 3.09Å; M262-W291 WeakPolarHBondContact O-CH2 3.39Å; M262-W291 WeakPolarHBondContact O-CZ2 3.47Å
263M87.8Confident85.2Confident3 Ų347.4 Ų47.42%0.01524%0.244CC..  trans-104.8162.7164.6-57-16280.100109.5G236 I238 D265 V267 T281 A283 K287 K289G236-M263 PolarHBondContact O-N 3.41Å; I238-M263 HydrophobicContact CD1-CG 4.18Å; M263-D265 VanDerWaalsContact C-N 3.29Å; M263-V267 HydrophobicContact CB-CG2 4.05Å; M263-V267 HydrophobicContact CG-CG2 3.96Å; M263-V267 HydrophobicContact SD-CG1 4.34Å; M263-V267 HydrophobicContact SD-CG2 3.98Å; M263-T281 PolarHBondContact SD-OG1 3.47Å; M263-A283 HydrophobicContact CB-CB 4.2Å; M263-A283 HydrophobicContact CE-CB 3.54Å; M263-A283 HydrophobicContact SD-CB 3.76Å; M263-K287 WeakPolarHBondContact CE-O 3.32Å; M263-K289 HydrophobicContact CE-CB 4.05Å; M263-K289 HydrophobicContact CE-CD 4.2Å; M263-K289 HydrophobicContact CE-CG 3.89Å; M263-K289 HydrophobicContact CG-CD 4.3Å
264D86.4Confident85.7Confident105 Ų10546.7 Ų46.756%0.56124%0.237SC*.SBendtrans-82.2-16.5-173.4-47.9-16.6000111.2K287 K289D264-K287 IonicContact OD2-NZ 3.55Å; D264-K287 PolarHBondContact OD2-NZ 3.19Å; D264-K289 IonicContact OD1-NZ 3.52Å; D264-K289 PolarHBondContact OD1-NZ 2.93Å
265D90.4Very high85.9Confident62 Ų6249.4 Ų49.433%0.33225%0.253SS..SBendtrans-141.4176.4-177-156.5-6.9000109.6G236 M263 V267 D285G236-D265 WeakPolarHBondContact CA-O 3.37Å; M263-D265 VanDerWaalsContact C-N 3.29Å; D265-V267 PolarHBondContact O-N 2.96Å; D265-D285 HydrophobicContact CB-CB 4.19Å
266A91.3Very high86.4Confident3 Ų350.4 Ų50.43%0.02526%0.259CS..  trans-54.3133-17700000113.2V234 L268 A283 Q284V234-A266 HydrophobicContact CG1-CB 4.17Å; V234-A266 WeakPolarHBondContact O-CA 3.41Å; V234-A266 WeakPolarHBondContact O-CB 3.48Å; A266-L268 PolarHBondContact O-N 3.17Å; A266-A283 CarbonylContact O-C 3.59Å; A266-A283 VanDerWaalsContact O-CA 3.24Å; A266-A283 WeakPolarHBondContact O-CA 3.16Å; A266-Q284 HydrophobicContact CB-CB 4.4Å; A266-Q284 PolarHBondContact O-N 3.43Å
267V94.1Very high87.3Confident0 Ų052.2 Ų52.20%026%0.258CS..EExtended strand (participates in β ladder)trans-87.697179.3-172.50000109.7E218 C219 S233 I238 M263 D265 M270E218-V267 WeakPolarHBondContact CB-O 3.04Å; C219-V267 PolarHBondContact SG-O 3.28Å; S233-V267 PolarHBondContact O-N 2.89Å; I238-V267 HydrophobicContact CG1-CG2 4.11Å; M263-V267 HydrophobicContact CB-CG2 4.05Å; M263-V267 HydrophobicContact CG-CG2 3.96Å; M263-V267 HydrophobicContact SD-CG1 4.34Å; M263-V267 HydrophobicContact SD-CG2 3.98Å; D265-V267 PolarHBondContact O-N 2.96Å; V267-M270 HydrophobicContact CG1-CG 3.89Å; V267-M270 HydrophobicContact CG1-SD 4.39Å
268L92.6Very high88.2Confident35 Ų3547.7 Ų47.718%0.18324%0.237CC..EExtended strand (participates in β ladder)trans-75-31.3-176.8-60.9178.4000112.9A266 G282 Q284 V310 F327A266-L268 PolarHBondContact O-N 3.17Å; L268-G282 PolarHBondContact N-O 3.27Å; L268-G282 VanDerWaalsContact N-O 3.08Å; L268-Q284 HydrophobicContact CD1-CB 3.99Å; L268-Q284 HydrophobicContact CD1-CG 4.46Å; L268-Q284 HydrophobicContact CG-CB 4.19Å; L268-V310 WeakPolarHBondContact CB-O 3.48Å; L268-F327 HydrophobicContact CD1-CE2 3.85Å
269C92.3Very high89.2Confident10 Ų1041.9 Ų41.97%0.06821%0.206CC..EExtended strand (participates in β ladder)trans-150.2154.6-176.363.80000114.1G282 V310 T311C269-G282 PolarHBondContact N-O 2.93Å; C269-G282 PolarHBondContact O-N 3.04Å; C269-V310 PolarHBondContact SG-O 2.79Å; C269-T311 WeakPolarHBondContact CB-O 3.17Å; C269-T311 VanDerWaalsContact SG-C 3.6Å
270M94.4Very high90Very high8 Ų836.7 Ų36.74%0.03918%0.178CC..EExtended strand (participates in β ladder)trans-143.9150.6178.3-62.9-178.2-53.700112.1C219 R221 V230 G232 I238 V267 L279 A280 T281C219-M270 HydrophobicContact CB-CE 4.36Å; C219-M270 VanDerWaalsContact O-CE 3.32Å; C219-M270 WeakPolarHBondContact O-CE 3.21Å; C219-M270 VanDerWaalsContact SG-CG 3.58Å; R221-M270 VanDerWaalsContact CD-O 3.23Å; R221-M270 WeakPolarHBondContact CD-O 3.32Å; R221-M270 PolarHBondContact NH1-O 3.07Å; V230-M270 HydrophobicContact CG1-CE 4.05Å; V230-M270 HydrophobicContact CG1-SD 3.85Å; V230-M270 WeakPolarHBondContact O-CE 3.24Å; G232-M270 VanDerWaalsContact N-CE 3.33Å; I238-M270 HydrophobicContact CG2-SD 4.18Å; V267-M270 HydrophobicContact CG1-CG 3.89Å; V267-M270 HydrophobicContact CG1-SD 4.39Å; M270-L279 HydrophobicContact CB-CD1 4.45Å; M270-A280 CarbonylContact C-O 3.56Å; M270-A280 VanDerWaalsContact CA-O 3.3Å; M270-A280 WeakPolarHBondContact CA-O 3.12Å; M270-T281 HydrophobicContact CG-CG2 3.73Å; M270-T281 HydrophobicContact SD-CG2 4.14Å
271C94.2Very high90.7Very high7 Ų734.4 Ų34.45%0.04717%0.169CC..EExtended strand (participates in β ladder)trans-143.1142173.8-163.60000111R221 A280 L313 F315R221-C271 PolarHBondContact NH1-SG 2.87Å; R221-C271 VanDerWaalsContact NH1-SG 3.45Å; C271-A280 PolarHBondContact N-O 3.06Å; C271-A280 PolarHBondContact O-N 2.94Å; C271-L313 HydrophobicContact CB-CB 3.99Å; C271-L313 VanDerWaalsContact CB-O 3.29Å; C271-L313 WeakPolarHBondContact CB-O 3.35Å; C271-F315 HydrophobicContact CB-CD2 4.03Å; C271-F315 HydrophobicContact CB-CE2 4.37Å; C271-F315 WeakPolarHBondContact O-CE2 3.28Å
272F93.1Very high91.2Very high10 Ų1034.4 Ų34.44%0.04417%0.168CC..EExtended strand (participates in β ladder)trans-92.8146.7170.5-80-92.5000110.8R221 P224 V230 T276 L279 I293 F315R221-F272 HydrophobicContact CB-CD2 4.26Å; R221-F272 HydrophobicContact CB-CE2 4.17Å; R221-F272 HydrophobicContact CG-CD2 4.27Å; P224-F272 HydrophobicContact CG-CB 3.95Å; V230-F272 HydrophobicContact CB-CE2 4.1Å; V230-F272 HydrophobicContact CB-CZ 3.86Å; V230-F272 HydrophobicContact CG2-CE1 4.36Å; V230-F272 HydrophobicContact CG2-CE2 4.21Å; V230-F272 HydrophobicContact CG2-CZ 3.47Å; V230-F272 VanDerWaalsContact CG2-CZ 3.47Å; F272-T276 HydrophobicContact CD1-CG2 4.47Å; F272-L279 HydrophobicContact CD1-CD1 4.15Å; F272-L279 HydrophobicContact CD2-CD1 3.94Å; F272-L279 HydrophobicContact CE1-CD1 4.11Å; F272-L279 HydrophobicContact CE2-CD1 3.86Å; F272-L279 HydrophobicContact CG-CD1 4.09Å; F272-L279 HydrophobicContact CZ-CD1 3.97Å; F272-I293 HydrophobicContact CD1-CD1 3.55Å; F272-I293 HydrophobicContact CE1-CD1 3.31Å; F272-I293 HydrophobicContact CE1-CG1 4.23Å; F272-I293 HydrophobicContact CZ-CD1 4.49Å; F272-F315 VanDerWaalsContact O-CD2 3.28Å; F272-F315 WeakPolarHBondContact O-CD2 3.33Å
273S91.7Very high91.4Very high0 Ų029.8 Ų29.80%015%0.146CC..  trans-68.1156.2160.257.80000110.4D275 T276 M278S273-D275 WeakPolarHBondContact CB-OD1 3.38Å; S273-D275 PolarHBondContact O-N 3.2Å; S273-D275 PolarHBondContact OG-OD1 2.89Å; S273-T276 PolarHBondContact O-N 2.84Å; S273-M278 PolarHBondContact N-O 3.39Å; S273-M278 WeakPolarHBondContact OG-CA 3.39Å; S273-M278 WeakPolarHBondContact OG-CB 3.45Å; S273-M278 PolarHBondContact OG-N 3.45Å; S273-M278 PolarHBondContact OG-O 2.82Å; S273-M278 VanDerWaalsContact OG-O 3.06Å
274R85.3Confident91.6Very high153 Ų15334.4 Ų34.458%0.57717%0.167SC*.THydrogen-bonded Turntrans-65.8-28.5-178.2-71-165.4171.1-151.5-9.7113.7T276R274-T276 PolarHBondContact O-N 2.78Å
275D84.8Confident91.8Very high75 Ų7531.7 Ų31.740%0.40115%0.153SC..THydrogen-bonded Turntrans-79.3-0.9175.2619.4000113.1S273 E277S273-D275 WeakPolarHBondContact CB-OD1 3.38Å; S273-D275 PolarHBondContact O-N 3.2Å; S273-D275 PolarHBondContact OG-OD1 2.89Å; D275-E277 HydrophobicContact CB-CG 4.47Å; D275-E277 PolarHBondContact O-N 3.45Å; D275-E277 PolarHBondContact OD1-N 2.87Å; D275-E277 VanDerWaalsContact OD1-N 3.12Å
276T87.4Confident91.7Very high25 Ų2528.8 Ų28.815%0.15314%0.137CC..SBendtrans60.95.9-178.228.80000116.3P224 D225 F272 S273 R274 I293P224-T276 HydrophobicContact CB-CG2 3.9Å; P224-T276 HydrophobicContact CG-CG2 3.99Å; D225-T276 HydrophobicContact CB-CG2 3.97Å; F272-T276 HydrophobicContact CD1-CG2 4.47Å; S273-T276 PolarHBondContact O-N 2.84Å; R274-T276 PolarHBondContact O-N 2.78Å; T276-I293 WeakPolarHBondContact O-CD1 3.5Å
277E88.4Confident91.8Very high93 Ų9330.3 Ų30.344%0.43514%0.143SC..SBendtrans-83.4-32.4-178.9-63.3-162.6170.600112.6D275 K292 I293D275-E277 HydrophobicContact CB-CG 4.47Å; D275-E277 PolarHBondContact O-N 3.45Å; D275-E277 PolarHBondContact OD1-N 2.87Å; D275-E277 VanDerWaalsContact OD1-N 3.12Å; E277-K292 WeakPolarHBondContact O-CA 3.48Å; E277-I293 PolarHBondContact O-N 2.79Å
278M91.8Very high91.9Very high36 Ų3630.3 Ų30.318%0.17714%0.143CC..EExtended strand (participates in β ladder)trans-112141.6-174.8-59.1-177-7500112.1S273 V290 W291 L299 F315S273-M278 PolarHBondContact N-O 3.39Å; S273-M278 WeakPolarHBondContact OG-CA 3.39Å; S273-M278 WeakPolarHBondContact OG-CB 3.45Å; S273-M278 PolarHBondContact OG-N 3.45Å; S273-M278 PolarHBondContact OG-O 2.82Å; S273-M278 VanDerWaalsContact OG-O 3.06Å; M278-V290 HydrophobicContact CB-CG1 4.27Å; M278-W291 CarbonylContact C-O 3.53Å; M278-W291 VanDerWaalsContact CA-O 3.28Å; M278-W291 WeakPolarHBondContact CA-O 3.36Å; M278-L299 HydrophobicContact CG-CD1 4.07Å; M278-L299 HydrophobicContact SD-CD1 4.22Å; M278-F315 HydrophobicContact CB-CZ 4.31Å
279L94.1Very high92Very high0 Ų029.2 Ų29.20%014%0.137CC..EExtended strand (participates in β ladder)trans-122125.1172.4-178.276.6000108.7V230 I238 M270 F272 T281 V290 W291 I293V230-L279 HydrophobicContact CG1-CD1 4.43Å; V230-L279 HydrophobicContact CG1-CD2 3.8Å; I238-L279 HydrophobicContact CG2-CD2 3.75Å; M270-L279 HydrophobicContact CB-CD1 4.45Å; F272-L279 HydrophobicContact CD1-CD1 4.15Å; F272-L279 HydrophobicContact CD2-CD1 3.94Å; F272-L279 HydrophobicContact CE1-CD1 4.11Å; F272-L279 HydrophobicContact CE2-CD1 3.86Å; F272-L279 HydrophobicContact CG-CD1 4.09Å; F272-L279 HydrophobicContact CZ-CD1 3.97Å; L279-T281 HydrophobicContact CD2-CG2 3.83Å; L279-T281 HydrophobicContact CG-CG2 3.99Å; L279-V290 CarbonylContact O-C 3.6Å; L279-V290 WeakPolarHBondContact O-CA 3.49Å; L279-W291 HydrophobicContact CB-CB 4.44Å; L279-W291 PolarHBondContact N-O 3.39Å; L279-W291 PolarHBondContact O-N 2.82Å; L279-I293 HydrophobicContact CB-CD1 4.06Å; L279-I293 HydrophobicContact CB-CG1 3.89Å
280A94.7Very high92Very high0 Ų028.8 Ų28.80%013%0.134CC..EExtended strand (participates in β ladder)trans-100.3133.3169.900000109.6M270 C271 K289 V290 L313 F315 L322M270-A280 CarbonylContact C-O 3.56Å; M270-A280 VanDerWaalsContact CA-O 3.3Å; M270-A280 WeakPolarHBondContact CA-O 3.12Å; C271-A280 PolarHBondContact N-O 3.06Å; C271-A280 PolarHBondContact O-N 2.94Å; A280-K289 WeakPolarHBondContact CA-O 3.34Å; A280-V290 HydrophobicContact CB-CG2 4.2Å; A280-L313 HydrophobicContact CB-CD1 4.08Å; A280-F315 HydrophobicContact CB-CD2 4.46Å; A280-F315 HydrophobicContact CB-CE2 3.47Å; A280-F315 VanDerWaalsContact CB-CE2 3.47Å; A280-F315 HydrophobicContact CB-CZ 3.65Å; A280-L322 HydrophobicContact CB-CD1 3.7Å; A280-L322 HydrophobicContact CB-CD2 3.83Å; A280-L322 HydrophobicContact CB-CG 4.45Å
281T95.2Very high92Very high0 Ų029.1 Ų29.10%014%0.135CC..EExtended strand (participates in β ladder)trans-127.3135.1-179.860.30000110I238 M263 M270 L279 I288 K289 W291 L313I238-T281 HydrophobicContact CD1-CG2 3.43Å; I238-T281 VanDerWaalsContact CD1-CG2 3.43Å; I238-T281 HydrophobicContact CG1-CG2 4.1Å; M263-T281 PolarHBondContact SD-OG1 3.47Å; M270-T281 HydrophobicContact CG-CG2 3.73Å; M270-T281 HydrophobicContact SD-CG2 4.14Å; L279-T281 HydrophobicContact CD2-CG2 3.83Å; L279-T281 HydrophobicContact CG-CG2 3.99Å; T281-I288 WeakPolarHBondContact O-CA 3.36Å; T281-I288 WeakPolarHBondContact O-CG2 3.35Å; T281-K289 PolarHBondContact N-O 3.02Å; T281-K289 PolarHBondContact O-N 3.03Å; T281-K289 PolarHBondContact OG1-O 2.47Å; T281-W291 PolarHBondContact OG1-NE1 3.32Å; T281-L313 VanDerWaalsContact C-CD1 3.4Å
282G94.6Very high91.9Very high0 Ų032.1 Ų32.10%015%0.147CC..EExtended strand (participates in β ladder)trans-115.4133.2178.300000110.1L268 C269 L313L268-G282 PolarHBondContact N-O 3.27Å; L268-G282 VanDerWaalsContact N-O 3.08Å; C269-G282 PolarHBondContact N-O 2.93Å; C269-G282 PolarHBondContact O-N 3.04Å; G282-L313 VanDerWaalsContact N-CD1 3.28Å
283A94.3Very high91.6Very high0 Ų031.8 Ų31.80%015%0.146CC..EExtended strand (participates in β ladder)trans-107.9166.2-178.900000112.5M263 A266 D285 G286 K287 V310M263-A283 HydrophobicContact CB-CB 4.2Å; M263-A283 HydrophobicContact CE-CB 3.54Å; M263-A283 HydrophobicContact SD-CB 3.76Å; A266-A283 CarbonylContact O-C 3.59Å; A266-A283 VanDerWaalsContact O-CA 3.24Å; A266-A283 WeakPolarHBondContact O-CA 3.16Å; A283-D285 WeakPolarHBondContact CB-OD1 3.18Å; A283-D285 PolarHBondContact O-N 3.16Å; A283-G286 PolarHBondContact O-N 2.91Å; A283-K287 PolarHBondContact N-O 3.16Å; A283-V310 PolarHBondContact O-N 2.81Å
284Q92.6Very high91.3Very high101 Ų10137.6 Ų37.647%0.47217%0.173SC..THydrogen-bonded Turntrans-64.3-23.9176.6-179.1169.7-26.800113.4A266 L268 G286 G309A266-Q284 HydrophobicContact CB-CB 4.4Å; A266-Q284 PolarHBondContact O-N 3.43Å; L268-Q284 HydrophobicContact CD1-CB 3.99Å; L268-Q284 HydrophobicContact CD1-CG 4.46Å; L268-Q284 HydrophobicContact CG-CB 4.19Å; Q284-G286 PolarHBondContact O-N 3.12Å; Q284-G309 WeakPolarHBondContact O-CA 3.38Å; Q284-G309 PolarHBondContact O-N 3.35Å; Q284-G309 VanDerWaalsContact O-N 3.11Å
285D90.3Very high91.3Very high48 Ų4832.4 Ų32.426%0.25716%0.16SC..THydrogen-bonded Turntrans-74.3-3.617568.4-2.3000114.1D265 A283 K287D265-D285 HydrophobicContact CB-CB 4.19Å; A283-D285 WeakPolarHBondContact CB-OD1 3.18Å; A283-D285 PolarHBondContact O-N 3.16Å; D285-K287 VanDerWaalsContact C-N 3.33Å; D285-K287 VanDerWaalsContact OD1-CB 3.24Å; D285-K287 WeakPolarHBondContact OD1-CB 3.38Å; D285-K287 WeakPolarHBondContact OD1-CG 3.45Å; D285-K287 PolarHBondContact OD1-N 3.49Å; D285-K287 WeakPolarHBondContact OD2-CD 3.41Å; D285-K287 WeakPolarHBondContact OD2-CE 3.24Å; D285-K287 WeakPolarHBondContact OD2-CG 3.37Å; D285-K287 IonicContact OD2-NZ 2.89Å
286G89.6Confident91.3Very high0 Ų029.4 Ų29.40%015%0.147CC..SBendtrans83.66.4-178.600000114.3A283 Q284 A305 H306 K308A283-G286 PolarHBondContact O-N 2.91Å; Q284-G286 PolarHBondContact O-N 3.12Å; G286-A305 WeakPolarHBondContact O-CB 3.36Å; G286-H306 PolarHBondContact O-N 3.21Å; G286-K308 WeakPolarHBondContact CA-O 3.28Å
287K93.3Very high91.3Very high36 Ų3634.5 Ų34.516%0.15717%0.169CC..  trans-87.4149.4175.3-58.2-179-158.7-1780111.1M263 D264 A283 D285 F302 E303M263-K287 WeakPolarHBondContact CE-O 3.32Å; D264-K287 IonicContact OD2-NZ 3.55Å; D264-K287 PolarHBondContact OD2-NZ 3.19Å; A283-K287 PolarHBondContact N-O 3.16Å; D285-K287 VanDerWaalsContact C-N 3.33Å; D285-K287 VanDerWaalsContact OD1-CB 3.24Å; D285-K287 WeakPolarHBondContact OD1-CB 3.38Å; D285-K287 WeakPolarHBondContact OD1-CG 3.45Å; D285-K287 PolarHBondContact OD1-N 3.49Å; D285-K287 WeakPolarHBondContact OD2-CD 3.41Å; D285-K287 WeakPolarHBondContact OD2-CE 3.24Å; D285-K287 WeakPolarHBondContact OD2-CG 3.37Å; D285-K287 IonicContact OD2-NZ 2.89Å; K287-F302 WeakPolarHBondContact CA-O 2.99Å; K287-E303 WeakPolarHBondContact CD-OE1 3.36Å; K287-E303 WeakPolarHBondContact CE-OE1 3.15Å; K287-E303 IonicContact NZ-OE1 3.39Å; K287-E303 PolarHBondContact NZ-OE1 2.84Å
288I94.9Very high91.4Very high0 Ų031.8 Ų31.80%016%0.16CC..EExtended strand (participates in β ladder)trans-121.3130.2171.9-54.7166.9000108.4T281 F302 A305 V310 L313 L322T281-I288 WeakPolarHBondContact O-CA 3.36Å; T281-I288 WeakPolarHBondContact O-CG2 3.35Å; I288-F302 HydrophobicContact CB-CB 4.08Å; I288-F302 HydrophobicContact CB-CD2 4.08Å; I288-F302 HydrophobicContact CB-CG 4.47Å; I288-F302 HydrophobicContact CG2-CD2 4.16Å; I288-F302 PolarHBondContact N-O 3.17Å; I288-F302 VanDerWaalsContact N-O 3.17Å; I288-F302 PolarHBondContact O-N 3.38Å; I288-A305 HydrophobicContact CB-CB 4.43Å; I288-A305 HydrophobicContact CD1-CB 3.47Å; I288-A305 VanDerWaalsContact CD1-CB 3.47Å; I288-A305 HydrophobicContact CG1-CB 3.76Å; I288-V310 HydrophobicContact CD1-CG1 4.45Å; I288-V310 HydrophobicContact CD1-CG2 4.38Å; I288-V310 HydrophobicContact CG1-CG1 4.37Å; I288-V310 HydrophobicContact CG1-CG2 3.92Å; I288-L313 HydrophobicContact CD1-CD2 3.81Å; I288-L313 HydrophobicContact CG1-CD2 4.22Å; I288-L313 HydrophobicContact CG2-CD1 4.06Å; I288-L313 HydrophobicContact CG2-CD2 4.2Å; I288-L322 HydrophobicContact CG2-CD2 3.74Å
289K94.1Very high91.2Very high11 Ų1133.5 Ų33.55%0.04817%0.17CC..EExtended strand (participates in β ladder)trans-116.3140.9171.9-68.6-179.8-168.5174.50109M262 M263 D264 A280 T281 W291 R300 R301M262-K289 PolarHBondContact O-NZ 2.83Å; M262-K289 VanDerWaalsContact O-NZ 3.09Å; M263-K289 HydrophobicContact CE-CB 4.05Å; M263-K289 HydrophobicContact CE-CD 4.2Å; M263-K289 HydrophobicContact CE-CG 3.89Å; M263-K289 HydrophobicContact CG-CD 4.3Å; D264-K289 IonicContact OD1-NZ 3.52Å; D264-K289 PolarHBondContact OD1-NZ 2.93Å; A280-K289 WeakPolarHBondContact CA-O 3.34Å; T281-K289 PolarHBondContact N-O 3.02Å; T281-K289 PolarHBondContact O-N 3.03Å; T281-K289 PolarHBondContact OG1-O 2.47Å; K289-W291 HydrophobicContact CB-CZ2 3.86Å; K289-W291 HydrophobicContact CD-CH2 4.12Å; K289-W291 HydrophobicContact CD-CZ2 3.51Å; K289-W291 HydrophobicContact CG-CZ2 4.3Å; K289-R300 WeakPolarHBondContact CA-O 3.15Å; K289-R301 HydrophobicContact CG-CG 4.34Å
290V94.1Very high91Very high1 Ų139.2 Ų39.21%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-115.5128.7173.7-1760000108.3M278 L279 A280 C298 L299 R300 F302 L322 L336M278-V290 HydrophobicContact CB-CG1 4.27Å; L279-V290 CarbonylContact O-C 3.6Å; L279-V290 WeakPolarHBondContact O-CA 3.49Å; A280-V290 HydrophobicContact CB-CG2 4.2Å; V290-C298 CarbonylContact O-C 3.56Å; V290-L299 PolarHBondContact O-N 3.46Å; V290-R300 HydrophobicContact CB-CB 4.17Å; V290-R300 HydrophobicContact CG2-CB 4.41Å; V290-R300 PolarHBondContact N-O 2.85Å; V290-R300 PolarHBondContact O-N 3.44Å; V290-F302 HydrophobicContact CG2-CE2 3.97Å; V290-L322 HydrophobicContact CG2-CD2 4.38Å; V290-L336 HydrophobicContact CG1-CD2 4.33Å; V290-L336 HydrophobicContact CG2-CD2 3.89Å
291W93Very high90.9Very high15 Ų1546.9 Ų46.96%0.05722%0.22CC..EExtended strand (participates in β ladder)trans-118.8150-171.5-53.191.2000110.5I238 M261 M262 M278 L279 T281 K289 Q297 C298I238-W291 HydrophobicContact CD1-CZ2 4.38Å; M261-W291 HydrophobicContact CB-CD2 4.12Å; M261-W291 HydrophobicContact CB-CE3 4.03Å; M261-W291 HydrophobicContact CB-CH2 4.36Å; M261-W291 HydrophobicContact CB-CZ2 4.43Å; M261-W291 HydrophobicContact CB-CZ3 4.15Å; M261-W291 HydrophobicContact CG-CD2 3.97Å; M261-W291 HydrophobicContact CG-CE3 3.64Å; M261-W291 HydrophobicContact CG-CG 4.39Å; M261-W291 HydrophobicContact CG-CZ3 4.06Å; M261-W291 HydrophobicContact SD-CB 3.62Å; M261-W291 HydrophobicContact SD-CD2 4.08Å; M261-W291 HydrophobicContact SD-CE3 4.17Å; M261-W291 HydrophobicContact SD-CG 3.86Å; M262-W291 WeakPolarHBondContact O-CH2 3.39Å; M262-W291 WeakPolarHBondContact O-CZ2 3.47Å; M278-W291 CarbonylContact C-O 3.53Å; M278-W291 VanDerWaalsContact CA-O 3.28Å; M278-W291 WeakPolarHBondContact CA-O 3.36Å; L279-W291 HydrophobicContact CB-CB 4.44Å; L279-W291 PolarHBondContact N-O 3.39Å; L279-W291 PolarHBondContact O-N 2.82Å; T281-W291 PolarHBondContact OG1-NE1 3.32Å; K289-W291 HydrophobicContact CB-CZ2 3.86Å; K289-W291 HydrophobicContact CD-CH2 4.12Å; K289-W291 HydrophobicContact CD-CZ2 3.51Å; K289-W291 HydrophobicContact CG-CZ2 4.3Å; W291-Q297 WeakPolarHBondContact CA-O 3.23Å; W291-C298 HydrophobicContact CD2-CB 4.32Å; W291-C298 HydrophobicContact CE3-CB 3.67Å; W291-C298 HydrophobicContact CH2-CB 4.05Å; W291-C298 HydrophobicContact CZ3-CB 3.53Å
292K91.7Very high90.6Very high70 Ų7047.3 Ų47.330%0.30422%0.222SC..EExtended strand (participates in β ladder)trans-94.5119.3164.6-170.1172.4-173.4172.80109E277 Q294 S295 G296 Q297 L299E277-K292 WeakPolarHBondContact O-CA 3.48Å; K292-Q294 PolarHBondContact O-N 3.1Å; K292-S295 PolarHBondContact O-N 2.98Å; K292-G296 WeakPolarHBondContact O-CA 3.15Å; K292-G296 PolarHBondContact O-N 2.99Å; K292-Q297 PolarHBondContact N-O 2.62Å; K292-L299 HydrophobicContact CB-CD1 3.97Å; K292-L299 HydrophobicContact CB-CD2 4.26Å; K292-L299 HydrophobicContact CB-CG 4.03Å
293I87.8Confident90.1Very high3 Ų352.4 Ų52.42%0.01525%0.246CC..THydrogen-bonded Turntrans-64.6-38.9-170.5-68.8143.9000112.4Y254 F272 T276 E277 L279Y254-I293 WeakPolarHBondContact CE1-O 3.46Å; Y254-I293 PolarHBondContact OH-O 2.77Å; F272-I293 HydrophobicContact CD1-CD1 3.55Å; F272-I293 HydrophobicContact CE1-CD1 3.31Å; F272-I293 HydrophobicContact CE1-CG1 4.23Å; F272-I293 HydrophobicContact CZ-CD1 4.49Å; T276-I293 WeakPolarHBondContact O-CD1 3.5Å; E277-I293 PolarHBondContact O-N 2.79Å; L279-I293 HydrophobicContact CB-CD1 4.06Å; L279-I293 HydrophobicContact CB-CG1 3.89Å
294Q86Confident89.5Confident122 Ų12263.1 Ų63.157%0.5729%0.286SS*.THydrogen-bonded Turntrans-66.9-38-178.4-69.3179.8-8.400113.2K292K292-Q294 PolarHBondContact O-N 3.1Å
295S84.8Confident89.2Confident44 Ų4458.3 Ų58.331%0.30826%0.264SS..THydrogen-bonded Turntrans-98.6-17.9-177.465.10000113.7Y254 K292 Q297Y254-S295 WeakPolarHBondContact CD1-O 3.39Å; K292-S295 PolarHBondContact O-N 2.98Å; S295-Q297 PolarHBondContact O-N 3.03Å; S295-Q297 WeakPolarHBondContact OG-CB 3.37Å; S295-Q297 PolarHBondContact OG-N 3.26Å
296G84.3Confident89.2Confident13 Ų1356.7 Ų56.713%0.13426%0.255CS..  trans69.66.4-172.500000113.3Y254 K292Y254-G296 VanDerWaalsContact CE1-CA 3.47Å; K292-G296 WeakPolarHBondContact O-CA 3.15Å; K292-G296 PolarHBondContact O-N 2.99Å
297Q87.5Confident89.2Confident132 Ų13261.4 Ų61.462%0.61729%0.288SS*.  trans-81139.1-177.2-68-178.6-1100111.3W291 K292 S295 L299W291-Q297 WeakPolarHBondContact CA-O 3.23Å; K292-Q297 PolarHBondContact N-O 2.62Å; S295-Q297 PolarHBondContact O-N 3.03Å; S295-Q297 WeakPolarHBondContact OG-CB 3.37Å; S295-Q297 PolarHBondContact OG-N 3.26Å; Q297-L299 PolarHBondContact O-N 3.37Å
298C90.5Very high89.1Confident35 Ų3564.5 Ų64.524%0.23630%0.301CS..EExtended strand (participates in β ladder)trans-74.5109.5171.7-170.60000109.5V290 W291 R300 R301V290-C298 CarbonylContact O-C 3.56Å; W291-C298 HydrophobicContact CD2-CB 4.32Å; W291-C298 HydrophobicContact CE3-CB 3.67Å; W291-C298 HydrophobicContact CH2-CB 4.05Å; W291-C298 HydrophobicContact CZ3-CB 3.53Å; C298-R300 PolarHBondContact SG-O 2.63Å; C298-R300 VanDerWaalsContact SG-O 3.37Å; C298-R301 WeakPolarHBondContact SG-CG 3.42Å
299L88.9Confident88.9Confident73 Ų7364.6 Ų64.638%0.38230%0.303SS..EExtended strand (participates in β ladder)trans-75.5-41.8177.8-66.5177000111.8M278 V290 K292 Q297M278-L299 HydrophobicContact CG-CD1 4.07Å; M278-L299 HydrophobicContact SD-CD1 4.22Å; V290-L299 PolarHBondContact O-N 3.46Å; K292-L299 HydrophobicContact CB-CD1 3.97Å; K292-L299 HydrophobicContact CB-CD2 4.26Å; K292-L299 HydrophobicContact CB-CG 4.03Å; Q297-L299 PolarHBondContact O-N 3.37Å
300R89.3Confident89Confident119 Ų11964.1 Ų64.145%0.44930%0.3SS..EExtended strand (participates in β ladder)trans-143143.5-175.6-64.2-65.5-175.1-138.110111.3K289 V290 C298 F302 L336K289-R300 WeakPolarHBondContact CA-O 3.15Å; V290-R300 HydrophobicContact CB-CB 4.17Å; V290-R300 HydrophobicContact CG2-CB 4.41Å; V290-R300 PolarHBondContact N-O 2.85Å; V290-R300 PolarHBondContact O-N 3.44Å; C298-R300 PolarHBondContact SG-O 2.63Å; C298-R300 VanDerWaalsContact SG-O 3.37Å; R300-F302 HydrophobicContact CB-CE2 4.18Å; R300-L336 PolarHBondContact NE-O 3.5Å
301R91.6Very high88.9Confident162 Ų16265.1 Ų65.161%0.61131%0.307SS*.EExtended strand (participates in β ladder)trans-125.2124.4174.9-60.5-177.2179.6-164.80.8108.6K289 C298K289-R301 HydrophobicContact CG-CG 4.34Å; C298-R301 WeakPolarHBondContact SG-CG 3.42Å
302F90.4Very high88.9Confident9 Ų965 Ų654%0.03931%0.308CS..EExtended strand (participates in β ladder)trans-107.887.7172.7-59.5-90.9000108.1K287 I288 V290 R300 R304 A305 H334 G339K287-F302 WeakPolarHBondContact CA-O 2.99Å; I288-F302 HydrophobicContact CB-CB 4.08Å; I288-F302 HydrophobicContact CB-CD2 4.08Å; I288-F302 HydrophobicContact CB-CG 4.47Å; I288-F302 HydrophobicContact CG2-CD2 4.16Å; I288-F302 PolarHBondContact N-O 3.17Å; I288-F302 VanDerWaalsContact N-O 3.17Å; I288-F302 PolarHBondContact O-N 3.38Å; V290-F302 HydrophobicContact CG2-CE2 3.97Å; R300-F302 HydrophobicContact CB-CE2 4.18Å; F302-R304 VanDerWaalsContact C-N 3.28Å; F302-R304 PolarHBondContact O-N 3.21Å; F302-A305 HydrophobicContact CB-CB 3.99Å; F302-H334 HydrophobicContact CD1-CB 4.36Å; F302-H334 AromaticContact CD1-CD2 3.76Å; F302-H334 HydrophobicContact CE1-CB 3.78Å; F302-H334 AromaticContact CE1-CD2 3.99Å; F302-H334 HydrophobicContact CZ-CB 4.03Å; F302-G339 WeakPolarHBondContact CD1-O 3.44Å; F302-G339 WeakPolarHBondContact CE1-O 3.39Å
303E84.1Confident89Confident106 Ų10661.8 Ų61.850%0.49529%0.294SS..THydrogen-bonded Turntrans-69.7-25.6-174.6-160.868-164.300113.2K287K287-E303 WeakPolarHBondContact CD-OE1 3.36Å; K287-E303 WeakPolarHBondContact CE-OE1 3.15Å; K287-E303 IonicContact NZ-OE1 3.39Å; K287-E303 PolarHBondContact NZ-OE1 2.84Å
304R81.1Confident89.3Confident225 Ų22562.2 Ų62.285%0.84930%0.298SS*.THydrogen-bonded Turntrans-125.145.8-179.5-64.4-175.4-179.8161.10.1111F302F302-R304 VanDerWaalsContact C-N 3.28Å; F302-R304 PolarHBondContact O-N 3.21Å
305A85.4Confident89.6Confident1 Ų157.1 Ų57.11%0.00827%0.274CS..SBendtrans-67.6-50177.100000110.7G286 I288 F302 R332G286-A305 WeakPolarHBondContact O-CB 3.36Å; I288-A305 HydrophobicContact CB-CB 4.43Å; I288-A305 HydrophobicContact CD1-CB 3.47Å; I288-A305 VanDerWaalsContact CD1-CB 3.47Å; I288-A305 HydrophobicContact CG1-CB 3.76Å; F302-A305 HydrophobicContact CB-CB 3.99Å; A305-R332 WeakPolarHBondContact O-CD 3.39Å; A305-R332 PolarHBondContact O-NH1 3.22Å
306H90.4Very high89.8Confident13 Ų1355.7 Ų55.76%0.0626%0.263CS..  trans-138.2164.4178.4-75.6-83.7000111.8G286 K308 V310 S324 S326 D328 T330G286-H306 PolarHBondContact O-N 3.21Å; H306-K308 WeakPolarHBondContact CB-O 3.39Å; H306-V310 HydrophobicContact CB-CG2 4.47Å; H306-S324 PolarHBondContact NE2-OG 2.94Å; H306-S326 WeakPolarHBondContact CB-OG 3.4Å; H306-S326 WeakPolarHBondContact ND1-CB 3.41Å; H306-D328 WeakPolarHBondContact CB-OD2 3.29Å; H306-D328 IonicContact CE1-OD1 3.11Å; H306-D328 IonicContact CG-OD2 3.54Å; H306-D328 VanDerWaalsContact ND1-CG 3.32Å; H306-D328 IonicContact ND1-OD1 2.99Å; H306-D328 PolarHBondContact ND1-OD1 2.94Å; H306-D328 VanDerWaalsContact ND1-OD1 3.09Å; H306-D328 IonicContact ND1-OD2 3.35Å; H306-D328 PolarHBondContact ND1-OD2 3.39Å; H306-T330 PolarHBondContact CE1-O 3.14Å; H306-T330 PolarHBondContact CE1-OG1 3.46Å; H306-T330 PolarHBondContact ND1-OG1 3.47Å
307S89.9Confident89.7Confident100 Ų10059.6 Ų59.670%0.69928%0.276SS*.SBendtrans-86.1-15.6176.560.30000113.5D328S307-D328 PolarHBondContact N-OD2 3.36Å; S307-D328 VanDerWaalsContact N-OD2 3.17Å; S307-D328 VanDerWaalsContact OG-CB 3.22Å; S307-D328 WeakPolarHBondContact OG-CB 3.32Å; S307-D328 PolarHBondContact OG-OD2 2.93Å
308K92.2Very high89.5Confident100 Ų10058 Ų5844%0.43527%0.272SS..SBendtrans-134.1175.5176.6-63.4-176.5176.3-179.30109.5G286 H306 S326 F327 D328G286-K308 WeakPolarHBondContact CA-O 3.28Å; H306-K308 WeakPolarHBondContact CB-O 3.39Å; K308-S326 PolarHBondContact O-OG 3.03Å; K308-F327 HydrophobicContact CB-CB 3.87Å; K308-F327 HydrophobicContact CD-CB 4.06Å; K308-F327 WeakPolarHBondContact CD-O 3.45Å; K308-D328 HydrophobicContact CB-CB 4.24Å; K308-D328 HydrophobicContact CD-CB 4.46Å; K308-D328 HydrophobicContact CG-CB 4.3Å
309G90.9Very high89.2Confident3 Ų357.2 Ų57.23%0.03127%0.267CS..  trans-51.4143.4-179.200000115Q284 S326 F327Q284-G309 WeakPolarHBondContact O-CA 3.38Å; Q284-G309 PolarHBondContact O-N 3.35Å; Q284-G309 VanDerWaalsContact O-N 3.11Å; G309-S326 VanDerWaalsContact O-CA 3.3Å; G309-S326 WeakPolarHBondContact O-CA 3.32Å; G309-S326 WeakPolarHBondContact O-CB 3.49Å; G309-S326 PolarHBondContact O-OG 3.45Å; G309-F327 PolarHBondContact O-N 2.96Å; G309-F327 VanDerWaalsContact O-N 3.08Å
310V94.9Very high89.1Confident0 Ų055.5 Ų55.50%026%0.261CS..EExtended strand (participates in β ladder)trans-89.6117178.5-174.50000108.9L268 C269 A283 I288 H306 L313 A325L268-V310 WeakPolarHBondContact CB-O 3.48Å; C269-V310 PolarHBondContact SG-O 2.79Å; A283-V310 PolarHBondContact O-N 2.81Å; I288-V310 HydrophobicContact CD1-CG1 4.45Å; I288-V310 HydrophobicContact CD1-CG2 4.38Å; I288-V310 HydrophobicContact CG1-CG1 4.37Å; I288-V310 HydrophobicContact CG1-CG2 3.92Å; H306-V310 HydrophobicContact CB-CG2 4.47Å; V310-L313 HydrophobicContact CG1-CD2 3.93Å; V310-L313 HydrophobicContact CG1-CG 4.1Å; V310-A325 CarbonylContact C-O 3.56Å; V310-A325 WeakPolarHBondContact CA-O 3.33Å; V310-A325 VanDerWaalsContact CG1-O 3.3Å; V310-A325 WeakPolarHBondContact CG1-O 3.28Å
311T92.2Very high89.2Confident23 Ų2352.2 Ų52.214%0.14125%0.251CS..EExtended strand (participates in β ladder)trans-88.6-32.4-173.748.90000113.1C269 A325 F327 V352C269-T311 WeakPolarHBondContact CB-O 3.17Å; C269-T311 VanDerWaalsContact SG-C 3.6Å; T311-A325 PolarHBondContact N-O 2.83Å; T311-A325 VanDerWaalsContact OG1-C 3.27Å; T311-A325 PolarHBondContact OG1-O 2.89Å; T311-F327 HydrophobicContact CG2-CD1 3.44Å; T311-F327 VanDerWaalsContact CG2-CD1 3.44Å; T311-F327 HydrophobicContact CG2-CD2 4.12Å; T311-F327 HydrophobicContact CG2-CE1 3.2Å; T311-F327 HydrophobicContact CG2-CE2 3.92Å; T311-F327 HydrophobicContact CG2-CG 3.91Å; T311-F327 HydrophobicContact CG2-CZ 3.46Å; T311-F327 VanDerWaalsContact CG2-CZ 3.46Å; T311-V352 WeakPolarHBondContact CB-O 3.36Å; T311-V352 PolarHBondContact OG1-O 3.13Å
312C92.2Very high89.2Confident12 Ų1244.5 Ų44.58%0.08122%0.222CC..EExtended strand (participates in β ladder)trans-148.4148.3-179.1-179.30000111.7S324 A325 E354C312-S324 WeakPolarHBondContact O-CA 3.42Å; C312-A325 HydrophobicContact CB-CB 4.19Å; C312-A325 PolarHBondContact O-N 2.89Å; C312-E354 HydrophobicContact CB-CG 4.29Å
313L94.6Very high89.4Confident2 Ų244.1 Ų44.11%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-130.5139.9173.2-69.7172.8000110.5C271 A280 T281 G282 I288 V310 L322 L323C271-L313 HydrophobicContact CB-CB 3.99Å; C271-L313 VanDerWaalsContact CB-O 3.29Å; C271-L313 WeakPolarHBondContact CB-O 3.35Å; A280-L313 HydrophobicContact CB-CD1 4.08Å; T281-L313 VanDerWaalsContact C-CD1 3.4Å; G282-L313 VanDerWaalsContact N-CD1 3.28Å; I288-L313 HydrophobicContact CD1-CD2 3.81Å; I288-L313 HydrophobicContact CG1-CD2 4.22Å; I288-L313 HydrophobicContact CG2-CD1 4.06Å; I288-L313 HydrophobicContact CG2-CD2 4.2Å; V310-L313 HydrophobicContact CG1-CD2 3.93Å; V310-L313 HydrophobicContact CG1-CG 4.1Å; L313-L322 HydrophobicContact CB-CD1 4.47Å; L313-L322 HydrophobicContact CD2-CD1 4.44Å; L313-L322 HydrophobicContact CD2-CD2 4.08Å; L313-L322 HydrophobicContact CD2-CG 4.19Å; L313-L323 WeakPolarHBondContact CA-O 3.48Å; L313-L323 WeakPolarHBondContact CD2-O 3.33Å
314S93.3Very high89.9Confident13 Ų1339 Ų399%0.09120%0.197CC..EExtended strand (participates in β ladder)trans-140.6129172.6-176.40000111.2L323 F357S314-L323 PolarHBondContact N-O 3.44Å; S314-L323 WeakPolarHBondContact O-CB 3.5Å; S314-L323 PolarHBondContact O-N 2.93Å; S314-F357 WeakPolarHBondContact O-CE2 3.43Å
315F92.3Very high90.5Very high15 Ų1528.3 Ų28.37%0.06616%0.156CC..EExtended strand (participates in β ladder)trans-74.7145.7168.4-81.3-87.8000111.3C271 F272 M278 A280 L322 L336 F357C271-F315 HydrophobicContact CB-CD2 4.03Å; C271-F315 HydrophobicContact CB-CE2 4.37Å; C271-F315 WeakPolarHBondContact O-CE2 3.28Å; F272-F315 VanDerWaalsContact O-CD2 3.28Å; F272-F315 WeakPolarHBondContact O-CD2 3.33Å; M278-F315 HydrophobicContact CB-CZ 4.31Å; A280-F315 HydrophobicContact CB-CD2 4.46Å; A280-F315 HydrophobicContact CB-CE2 3.47Å; A280-F315 VanDerWaalsContact CB-CE2 3.47Å; A280-F315 HydrophobicContact CB-CZ 3.65Å; F315-L322 HydrophobicContact CD1-CD1 4.18Å; F315-L322 HydrophobicContact CD2-CD1 4Å; F315-L322 HydrophobicContact CE1-CD1 4.23Å; F315-L322 HydrophobicContact CE2-CD1 4.05Å; F315-L322 HydrophobicContact CG-CD1 4.09Å; F315-L322 HydrophobicContact CZ-CD1 4.17Å; F315-L336 HydrophobicContact CD1-CD1 3.9Å; F315-L336 HydrophobicContact CE1-CD1 3.55Å; F315-L336 HydrophobicContact CE1-CD2 4.23Å; F315-F357 WeakPolarHBondContact O-CD2 3.16Å
316C89.4Confident90.9Very high14 Ų1428.3 Ų28.310%0.09516%0.156CC..  trans-68.9159.4165.8-174.90000110.7D318 S319 Q321 F357C316-D318 VanDerWaalsContact CB-OD1 3.31Å; C316-D318 WeakPolarHBondContact CB-OD1 3.33Å; C316-D318 PolarHBondContact O-N 2.86Å; C316-D318 PolarHBondContact SG-OD1 3.11Å; C316-S319 PolarHBondContact O-N 2.82Å; C316-Q321 HydrophobicContact CB-CB 4.05Å; C316-Q321 WeakPolarHBondContact CB-O 3.47Å; C316-Q321 PolarHBondContact N-O 2.96Å; C316-F357 HydrophobicContact CB-CD2 4.23Å; C316-F357 HydrophobicContact CB-CE2 3.9Å; C316-F357 HydrophobicContact CB-CZ 4.28Å
317K82.7Confident91.1Very high94 Ų9430.8 Ų30.841%0.40917%0.167SC..THydrogen-bonded Turntrans-54.6-38.1178.5-80.9-155167.6163.90113.6S319 P359K317-S319 VanDerWaalsContact C-N 3.25Å; K317-S319 PolarHBondContact O-N 3.03Å; K317-P359 WeakPolarHBondContact CD-O 3.16Å; K317-P359 WeakPolarHBondContact CE-O 3.49Å; K317-P359 VanDerWaalsContact NZ-C 3.34Å; K317-P359 PolarHBondContact NZ-O 2.99Å
318D82.9Confident91.1Very high99 Ų9927 Ų2753%0.52914%0.139SC..THydrogen-bonded Turntrans-83.30.3179.967.6-8.5000113.2C316 S320C316-D318 VanDerWaalsContact CB-OD1 3.31Å; C316-D318 WeakPolarHBondContact CB-OD1 3.33Å; C316-D318 PolarHBondContact O-N 2.86Å; C316-D318 PolarHBondContact SG-OD1 3.11Å; D318-S320 PolarHBondContact O-N 3.35Å; D318-S320 PolarHBondContact OD1-N 3.06Å; D318-S320 PolarHBondContact OD1-OG 2.87Å; D318-S320 VanDerWaalsContact OD2-CB 3.31Å; D318-S320 WeakPolarHBondContact OD2-CB 3.41Å; D318-S320 PolarHBondContact OD2-OG 3.14Å
319S84Confident91.1Very high18 Ų1826 Ų2613%0.12614%0.135CC..SBendtrans50.225.5-173.6-51.80000113.8C316 K317 L336C316-S319 PolarHBondContact O-N 2.82Å; K317-S319 VanDerWaalsContact C-N 3.25Å; K317-S319 PolarHBondContact O-N 3.03Å; S319-L336 WeakPolarHBondContact O-CD1 3.47Å
320S87.2Confident91.2Very high38 Ų3826.4 Ų26.427%0.26614%0.137SC..SBendtrans-92.9-25.6179.3810000112.6D318 L336D318-S320 PolarHBondContact O-N 3.35Å; D318-S320 PolarHBondContact OD1-N 3.06Å; D318-S320 PolarHBondContact OD1-OG 2.87Å; D318-S320 VanDerWaalsContact OD2-CB 3.31Å; D318-S320 WeakPolarHBondContact OD2-CB 3.41Å; D318-S320 PolarHBondContact OD2-OG 3.14Å; S320-L336 WeakPolarHBondContact O-CB 3.41Å; S320-L336 PolarHBondContact O-N 3.43Å
321Q90.8Very high91.2Very high49 Ų4926.4 Ų26.423%0.22914%0.138CC..EExtended strand (participates in β ladder)trans-126.2150-177.7-66.3174.518.600111.2C316 V333 H334 L342 M378C316-Q321 HydrophobicContact CB-CB 4.05Å; C316-Q321 WeakPolarHBondContact CB-O 3.47Å; C316-Q321 PolarHBondContact N-O 2.96Å; Q321-V333 HydrophobicContact CB-CG1 4Å; Q321-V333 HydrophobicContact CG-CG1 4.25Å; Q321-H334 CarbonylContact C-O 3.52Å; Q321-H334 VanDerWaalsContact CA-O 3.3Å; Q321-H334 WeakPolarHBondContact CA-O 3.44Å; Q321-L342 HydrophobicContact CG-CD1 4.41Å; Q321-M378 VanDerWaalsContact OE1-CE 3.29Å
322L93.2Very high91.3Very high0 Ų027.4 Ų27.40%014%0.139CC..EExtended strand (participates in β ladder)trans-122.3124.5176.5-176.470.2000109.3A280 I288 V290 L313 F315 V333 H334A280-L322 HydrophobicContact CB-CD1 3.7Å; A280-L322 HydrophobicContact CB-CD2 3.83Å; A280-L322 HydrophobicContact CB-CG 4.45Å; I288-L322 HydrophobicContact CG2-CD2 3.74Å; V290-L322 HydrophobicContact CG2-CD2 4.38Å; L313-L322 HydrophobicContact CB-CD1 4.47Å; L313-L322 HydrophobicContact CD2-CD1 4.44Å; L313-L322 HydrophobicContact CD2-CD2 4.08Å; L313-L322 HydrophobicContact CD2-CG 4.19Å; F315-L322 HydrophobicContact CD1-CD1 4.18Å; F315-L322 HydrophobicContact CD2-CD1 4Å; F315-L322 HydrophobicContact CE1-CD1 4.23Å; F315-L322 HydrophobicContact CE2-CD1 4.05Å; F315-L322 HydrophobicContact CG-CD1 4.09Å; F315-L322 HydrophobicContact CZ-CD1 4.17Å; L322-V333 CarbonylContact O-C 3.58Å; L322-V333 WeakPolarHBondContact O-CA 3.48Å; L322-H334 HydrophobicContact CB-CB 4.39Å; L322-H334 PolarHBondContact N-O 2.95Å; L322-H334 PolarHBondContact O-N 3.41Å
323L94.3Very high91.4Very high1 Ų126.8 Ų26.81%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-87.4138.1170.9-174.267.8000109.4L313 S314 I331 V333 A355 F357 I364L313-L323 WeakPolarHBondContact CA-O 3.48Å; L313-L323 WeakPolarHBondContact CD2-O 3.33Å; S314-L323 PolarHBondContact N-O 3.44Å; S314-L323 WeakPolarHBondContact O-CB 3.5Å; S314-L323 PolarHBondContact O-N 2.93Å; L323-I331 HydrophobicContact CD1-CG2 3.38Å; L323-I331 HydrophobicContact CG-CG2 4.14Å; L323-V333 HydrophobicContact CD1-CG2 3.6Å; L323-A355 HydrophobicContact CD2-CB 3.74Å; L323-A355 HydrophobicContact CG-CB 4.27Å; L323-F357 HydrophobicContact CB-CD2 4.16Å; L323-F357 HydrophobicContact CB-CE2 3.45Å; L323-F357 VanDerWaalsContact CB-CE2 3.45Å; L323-F357 HydrophobicContact CB-CZ 3.68Å; L323-F357 HydrophobicContact CD1-CZ 4.36Å; L323-F357 HydrophobicContact CD2-CD2 4.41Å; L323-F357 HydrophobicContact CD2-CE2 4.36Å; L323-F357 HydrophobicContact CD2-CZ 4.48Å; L323-F357 HydrophobicContact CG-CE2 4.45Å; L323-F357 HydrophobicContact CG-CZ 4.43Å; L323-I364 HydrophobicContact CD1-CD1 3.58Å; L323-I364 HydrophobicContact CD1-CG1 4.22Å; L323-I364 HydrophobicContact CD1-CG2 4.24Å; L323-I364 HydrophobicContact CD2-CG1 4.27Å; L323-I364 HydrophobicContact CD2-CG2 3.65Å
324S94.5Very high91.3Very high0 Ų026.8 Ų26.80%014%0.135CC..EExtended strand (participates in β ladder)trans-131.7138.3172.559.20000111.1H306 C312 I331 R332 H334H306-S324 PolarHBondContact NE2-OG 2.94Å; C312-S324 WeakPolarHBondContact O-CA 3.42Å; S324-I331 CarbonylContact O-C 3.56Å; S324-I331 WeakPolarHBondContact O-CA 3.31Å; S324-I331 WeakPolarHBondContact O-CG2 3.42Å; S324-R332 PolarHBondContact N-O 3.17Å; S324-R332 PolarHBondContact O-N 3.25Å; S324-R332 PolarHBondContact OG-O 3.1Å; S324-H334 PolarHBondContact OG-CE1 3.38Å; S324-H334 PolarHBondContact OG-ND1 3.39Å
325A94.1Very high91.2Very high0 Ų026.5 Ų26.50%013%0.133CC..EExtended strand (participates in β ladder)trans-114.1150.5170.100000109.6V310 T311 C312 V352 A355V310-A325 CarbonylContact C-O 3.56Å; V310-A325 WeakPolarHBondContact CA-O 3.33Å; V310-A325 VanDerWaalsContact CG1-O 3.3Å; V310-A325 WeakPolarHBondContact CG1-O 3.28Å; T311-A325 PolarHBondContact N-O 2.83Å; T311-A325 VanDerWaalsContact OG1-C 3.27Å; T311-A325 PolarHBondContact OG1-O 2.89Å; C312-A325 HydrophobicContact CB-CB 4.19Å; C312-A325 PolarHBondContact O-N 2.89Å; A325-V352 HydrophobicContact CB-CB 4.09Å; A325-V352 HydrophobicContact CB-CG1 3.68Å; A325-A355 HydrophobicContact CB-CB 3.97Å
326S94.1Very high91Very high0 Ų026.5 Ų26.50%013%0.134CC..EExtended strand (participates in β ladder)trans-146.1160.9-174.6176.40000113.1H306 K308 G309 D328 Q329 T330 V352H306-S326 WeakPolarHBondContact CB-OG 3.4Å; H306-S326 WeakPolarHBondContact ND1-CB 3.41Å; K308-S326 PolarHBondContact O-OG 3.03Å; G309-S326 VanDerWaalsContact O-CA 3.3Å; G309-S326 WeakPolarHBondContact O-CA 3.32Å; G309-S326 WeakPolarHBondContact O-CB 3.49Å; G309-S326 PolarHBondContact O-OG 3.45Å; S326-D328 WeakPolarHBondContact CB-OD1 2.96Å; S326-D328 PolarHBondContact O-N 3.47Å; S326-D328 PolarHBondContact OG-N 3.5Å; S326-D328 VanDerWaalsContact OG-N 3.14Å; S326-Q329 PolarHBondContact O-N 3.34Å; S326-T330 PolarHBondContact N-O 3.4Å; S326-V352 PolarHBondContact O-N 3.19Å
327F92.9Very high90.7Very high66 Ų6634.8 Ų34.829%0.28917%0.169SC..THydrogen-bonded Turntrans-62.9-8.2165.8-62.6-47.1000114L268 K308 G309 T311 Q329 F351L268-F327 HydrophobicContact CD1-CE2 3.85Å; K308-F327 HydrophobicContact CB-CB 3.87Å; K308-F327 HydrophobicContact CD-CB 4.06Å; K308-F327 WeakPolarHBondContact CD-O 3.45Å; G309-F327 PolarHBondContact O-N 2.96Å; G309-F327 VanDerWaalsContact O-N 3.08Å; T311-F327 HydrophobicContact CG2-CD1 3.44Å; T311-F327 VanDerWaalsContact CG2-CD1 3.44Å; T311-F327 HydrophobicContact CG2-CD2 4.12Å; T311-F327 HydrophobicContact CG2-CE1 3.2Å; T311-F327 HydrophobicContact CG2-CE2 3.92Å; T311-F327 HydrophobicContact CG2-CG 3.91Å; T311-F327 HydrophobicContact CG2-CZ 3.46Å; T311-F327 VanDerWaalsContact CG2-CZ 3.46Å; F327-Q329 PolarHBondContact O-N 3.5Å; F327-F351 HydrophobicContact CB-CD1 4.06Å; F327-F351 HydrophobicContact CB-CE1 4.36Å; F327-F351 HydrophobicContact CB-CG 4.43Å; F327-F351 HydrophobicContact CD1-CB 3.89Å; F327-F351 HydrophobicContact CD1-CD1 4.29Å; F327-F351 HydrophobicContact CD1-CD2 4.03Å; F327-F351 AromaticContact CD1-CG 3.8Å; F327-F351 HydrophobicContact CD1-CG 3.8Å; F327-F351 WeakPolarHBondContact O-CD1 3.47Å; F327-F351 VanDerWaalsContact O-CE1 3.3Å; F327-F351 WeakPolarHBondContact O-CE1 3.29Å
328D90.8Very high90.8Very high21 Ų2133.8 Ų33.811%0.11217%0.173CC..THydrogen-bonded Turntrans-79.68.5172.174.28.9000114.3H306 S307 K308 S326 T330H306-D328 WeakPolarHBondContact CB-OD2 3.29Å; H306-D328 IonicContact CE1-OD1 3.11Å; H306-D328 IonicContact CG-OD2 3.54Å; H306-D328 VanDerWaalsContact ND1-CG 3.32Å; H306-D328 IonicContact ND1-OD1 2.99Å; H306-D328 PolarHBondContact ND1-OD1 2.94Å; H306-D328 VanDerWaalsContact ND1-OD1 3.09Å; H306-D328 IonicContact ND1-OD2 3.35Å; H306-D328 PolarHBondContact ND1-OD2 3.39Å; S307-D328 PolarHBondContact N-OD2 3.36Å; S307-D328 VanDerWaalsContact N-OD2 3.17Å; S307-D328 VanDerWaalsContact OG-CB 3.22Å; S307-D328 WeakPolarHBondContact OG-CB 3.32Å; S307-D328 PolarHBondContact OG-OD2 2.93Å; K308-D328 HydrophobicContact CB-CB 4.24Å; K308-D328 HydrophobicContact CD-CB 4.46Å; K308-D328 HydrophobicContact CG-CB 4.3Å; S326-D328 WeakPolarHBondContact CB-OD1 2.96Å; S326-D328 PolarHBondContact O-N 3.47Å; S326-D328 PolarHBondContact OG-N 3.5Å; S326-D328 VanDerWaalsContact OG-N 3.14Å; D328-T330 PolarHBondContact O-N 2.92Å; D328-T330 WeakPolarHBondContact OD1-CB 3.41Å; D328-T330 PolarHBondContact OD1-N 2.86Å; D328-T330 PolarHBondContact OD1-OG1 3.13Å; D328-T330 PolarHBondContact OD2-OG1 2.84Å
329Q91.6Very high90.6Very high77 Ų7730.4 Ų30.436%0.3616%0.162SC..SBendtrans69.16.9177.6-41.3178.7-15.800113.6S326 F327 S349 S350S326-Q329 PolarHBondContact O-N 3.34Å; F327-Q329 PolarHBondContact O-N 3.5Å; Q329-S349 PolarHBondContact NE2-O 3.47Å; Q329-S350 WeakPolarHBondContact CB-O 3.47Å; Q329-S350 WeakPolarHBondContact CG-O 3.16Å
330T92.7Very high90.7Very high12 Ų1236.4 Ų36.47%0.07419%0.185CC..EExtended strand (participates in β ladder)trans-109.6151.7179.476.80000111.3H306 S326 D328 R346H306-T330 PolarHBondContact CE1-O 3.14Å; H306-T330 PolarHBondContact CE1-OG1 3.46Å; H306-T330 PolarHBondContact ND1-OG1 3.47Å; S326-T330 PolarHBondContact N-O 3.4Å; D328-T330 PolarHBondContact O-N 2.92Å; D328-T330 WeakPolarHBondContact OD1-CB 3.41Å; D328-T330 PolarHBondContact OD1-N 2.86Å; D328-T330 PolarHBondContact OD1-OG1 3.13Å; D328-T330 PolarHBondContact OD2-OG1 2.84Å; T330-R346 HydrophobicContact CG2-CG 4.02Å
331I94.6Very high90.7Very high1 Ų137.6 Ų37.61%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-113.7134.7169.4-58.4151.3000106.3L323 S324 E344 F345 V352 A355 S366L323-I331 HydrophobicContact CD1-CG2 3.38Å; L323-I331 HydrophobicContact CG-CG2 4.14Å; S324-I331 CarbonylContact O-C 3.56Å; S324-I331 WeakPolarHBondContact O-CA 3.31Å; S324-I331 WeakPolarHBondContact O-CG2 3.42Å; I331-E344 CarbonylContact O-C 3.58Å; I331-E344 WeakPolarHBondContact O-CA 3.32Å; I331-F345 HydrophobicContact CB-CB 4.17Å; I331-F345 HydrophobicContact CB-CD2 4.37Å; I331-F345 HydrophobicContact CG2-CD2 4.28Å; I331-F345 PolarHBondContact N-O 2.99Å; I331-F345 VanDerWaalsContact N-O 3.1Å; I331-F345 WeakPolarHBondContact O-CD2 3.42Å; I331-F345 PolarHBondContact O-N 2.99Å; I331-V352 HydrophobicContact CD1-CG1 4.19Å; I331-V352 HydrophobicContact CD1-CG2 4.5Å; I331-V352 HydrophobicContact CG1-CB 4.47Å; I331-V352 HydrophobicContact CG1-CG1 3.93Å; I331-V352 HydrophobicContact CG1-CG2 4.16Å; I331-A355 HydrophobicContact CG2-CB 4.41Å; I331-S366 WeakPolarHBondContact CD1-OG 3.21Å
332R94.6Very high90.7Very high43 Ų4339.7 Ų39.716%0.16221%0.206CC..EExtended strand (participates in β ladder)trans-127.3145.8-179.2-69.9177-179.7-166-6.3110.9A305 S324 K343 E344A305-R332 WeakPolarHBondContact O-CD 3.39Å; A305-R332 PolarHBondContact O-NH1 3.22Å; S324-R332 PolarHBondContact N-O 3.17Å; S324-R332 PolarHBondContact O-N 3.25Å; S324-R332 PolarHBondContact OG-O 3.1Å; R332-K343 WeakPolarHBondContact CA-O 3.15Å; R332-E344 HydrophobicContact CG-CB 4.26Å; R332-E344 HydrophobicContact CG-CG 4.04Å; R332-E344 IonicContact CZ-OE1 3.18Å; R332-E344 IonicContact NE-OE1 2.64Å; R332-E344 IonicContact NH2-OE1 3.05Å; R332-E344 PolarHBondContact NH2-OE1 3.19Å; R332-E344 IonicContact NH2-OE2 3.25Å
333V93.9Very high90.6Very high0 Ų043 Ų430%022%0.22CC..EExtended strand (participates in β ladder)trans-111.3125.6171.8173.30000108.3Q321 L322 L323 L342 K343 F345 F357 I364 M378Q321-V333 HydrophobicContact CB-CG1 4Å; Q321-V333 HydrophobicContact CG-CG1 4.25Å; L322-V333 CarbonylContact O-C 3.58Å; L322-V333 WeakPolarHBondContact O-CA 3.48Å; L323-V333 HydrophobicContact CD1-CG2 3.6Å; V333-L342 PolarHBondContact O-N 2.95Å; V333-K343 HydrophobicContact CB-CB 4.29Å; V333-K343 PolarHBondContact N-O 2.68Å; V333-K343 PolarHBondContact O-N 2.91Å; V333-F345 HydrophobicContact CG2-CE2 3.73Å; V333-F345 HydrophobicContact CG2-CZ 4.42Å; V333-F357 HydrophobicContact CG2-CZ 4.37Å; V333-I364 HydrophobicContact CG2-CD1 4.05Å; V333-M378 HydrophobicContact CG1-CE 4.44Å; V333-M378 HydrophobicContact CG2-CE 4.37Å; V333-M378 HydrophobicContact CG2-SD 4.18Å
334H93Very high90.5Very high2 Ų246 Ų461%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-109.8134.4-177.2-63.992000110.2F302 Q321 L322 S324 K340F302-H334 HydrophobicContact CD1-CB 4.36Å; F302-H334 AromaticContact CD1-CD2 3.76Å; F302-H334 HydrophobicContact CE1-CB 3.78Å; F302-H334 AromaticContact CE1-CD2 3.99Å; F302-H334 HydrophobicContact CZ-CB 4.03Å; Q321-H334 CarbonylContact C-O 3.52Å; Q321-H334 VanDerWaalsContact CA-O 3.3Å; Q321-H334 WeakPolarHBondContact CA-O 3.44Å; L322-H334 HydrophobicContact CB-CB 4.39Å; L322-H334 PolarHBondContact N-O 2.95Å; L322-H334 PolarHBondContact O-N 3.41Å; S324-H334 PolarHBondContact OG-CE1 3.38Å; S324-H334 PolarHBondContact OG-ND1 3.39Å; H334-K340 WeakPolarHBondContact CA-O 3.25Å
335G90.9Very high90.3Very high6 Ų646.1 Ų46.16%0.06224%0.235CC..EExtended strand (participates in β ladder)trans-86.8122.6173.500000110.9K337 S338 G339 K340G335-K337 PolarHBondContact O-N 2.82Å; G335-S338 PolarHBondContact O-N 3.16Å; G335-G339 WeakPolarHBondContact O-CA 3.48Å; G335-G339 PolarHBondContact O-N 2.81Å; G335-K340 PolarHBondContact N-O 3.28Å
336L87.9Confident90.1Very high16 Ų1654.2 Ų54.28%0.08427%0.266CS..THydrogen-bonded Turntrans-68.4-35.7-176.4-72.1157.9000113V290 R300 F315 S319 S320V290-L336 HydrophobicContact CG1-CD2 4.33Å; V290-L336 HydrophobicContact CG2-CD2 3.89Å; R300-L336 PolarHBondContact NE-O 3.5Å; F315-L336 HydrophobicContact CD1-CD1 3.9Å; F315-L336 HydrophobicContact CE1-CD1 3.55Å; F315-L336 HydrophobicContact CE1-CD2 4.23Å; S319-L336 WeakPolarHBondContact O-CD1 3.47Å; S320-L336 WeakPolarHBondContact O-CB 3.41Å; S320-L336 PolarHBondContact O-N 3.43Å
337K85Confident89.7Confident188 Ų18856.4 Ų56.482%0.81729%0.288SS*.THydrogen-bonded Turntrans-66.7-45.3175.8-68.7-173.9-180-179.50111.9G335G335-K337 PolarHBondContact O-N 2.82Å
338S82.9Confident89.5Confident72 Ų7253.8 Ų53.850%0.50328%0.277SS..THydrogen-bonded Turntrans-82.4-25.9-175.4-179.20000113.4G335 K340G335-S338 PolarHBondContact O-N 3.16Å; S338-K340 PolarHBondContact O-N 2.6Å
339G80.2Confident89.3Confident28 Ų2857.1 Ų57.129%0.28930%0.302SS..THydrogen-bonded Turntrans68.817.7-174.500000113.9F302 G335F302-G339 WeakPolarHBondContact CD1-O 3.44Å; F302-G339 WeakPolarHBondContact CE1-O 3.39Å; G335-G339 WeakPolarHBondContact O-CA 3.48Å; G335-G339 PolarHBondContact O-N 2.81Å
340K85.8Confident89.3Confident144 Ų14455 Ų5563%0.62630%0.295SS*.EExtended strand (participates in β ladder)trans-120.4153.7-177.6-64.5-177.9-179.6-178.80111.5H334 G335 S338 L342H334-K340 WeakPolarHBondContact CA-O 3.25Å; G335-K340 PolarHBondContact N-O 3.28Å; S338-K340 PolarHBondContact O-N 2.6Å; K340-L342 PolarHBondContact O-N 2.82Å
341S87.7Confident89.2Confident64 Ų6458.3 Ų58.345%0.44831%0.309SS..EExtended strand (participates in β ladder)trans-68.7121.7166.4560000109.3
342L89.6Confident89.1Confident93 Ų9358.2 Ų58.249%0.48731%0.309SS..EExtended strand (participates in β ladder)trans-91.2-40.1-179.8-62175.8000111.7Q321 V333 K340Q321-L342 HydrophobicContact CG-CD1 4.41Å; V333-L342 PolarHBondContact O-N 2.95Å; K340-L342 PolarHBondContact O-N 2.82Å
343K91Very high88.9Confident68 Ų6857.8 Ų57.830%0.29631%0.309SS..EExtended strand (participates in β ladder)trans-140.5149-174.4-58.2-174.1-178.8-160.50110.5R332 V333 F345 M378 K379 T381R332-K343 WeakPolarHBondContact CA-O 3.15Å; V333-K343 HydrophobicContact CB-CB 4.29Å; V333-K343 PolarHBondContact N-O 2.68Å; V333-K343 PolarHBondContact O-N 2.91Å; K343-F345 HydrophobicContact CB-CE2 4Å; K343-F345 HydrophobicContact CB-CZ 4.4Å; K343-M378 WeakPolarHBondContact CD-O 3.34Å; K343-M378 PolarHBondContact NZ-O 2.91Å; K343-K379 PolarHBondContact NZ-O 2.93Å; K343-T381 HydrophobicContact CB-CG2 3.99Å; K343-T381 HydrophobicContact CD-CG2 3.75Å; K343-T381 HydrophobicContact CG-CG2 4.16Å
344E92.3Very high88.7Confident66 Ų6659.1 Ų59.131%0.30832%0.316SS..EExtended strand (participates in β ladder)trans-131.5130.1176.2-175176.5-168.300108.1I331 R332 R346I331-E344 CarbonylContact O-C 3.58Å; I331-E344 WeakPolarHBondContact O-CA 3.32Å; R332-E344 HydrophobicContact CG-CB 4.26Å; R332-E344 HydrophobicContact CG-CG 4.04Å; R332-E344 IonicContact CZ-OE1 3.18Å; R332-E344 IonicContact NE-OE1 2.64Å; R332-E344 IonicContact NH2-OE1 3.05Å; R332-E344 PolarHBondContact NH2-OE1 3.19Å; R332-E344 IonicContact NH2-OE2 3.25Å; E344-R346 VanDerWaalsContact CD-NE 3.33Å; E344-R346 VanDerWaalsContact CD-NH2 3.32Å; E344-R346 HydrophobicContact CG-CG 4.19Å; E344-R346 IonicContact OE1-CZ 2.74Å; E344-R346 VanDerWaalsContact OE1-CZ 3.29Å; E344-R346 IonicContact OE1-NE 3.6Å; E344-R346 PolarHBondContact OE1-NE 2.86Å; E344-R346 IonicContact OE1-NH2 2.97Å; E344-R346 PolarHBondContact OE1-NH2 3.49Å; E344-R346 IonicContact OE2-CZ 3.36Å; E344-R346 IonicContact OE2-NE 2.73Å; E344-R346 IonicContact OE2-NH2 3.03Å; E344-R346 PolarHBondContact OE2-NH2 2.76Å
345F91.9Very high88.7Confident2 Ų259.1 Ų59.11%0.00932%0.316CS..EExtended strand (participates in β ladder)trans-112.7122.2178.4-53.8-104.2000107.8I331 V333 K343 I364 W376 M378 T381I331-F345 HydrophobicContact CB-CB 4.17Å; I331-F345 HydrophobicContact CB-CD2 4.37Å; I331-F345 HydrophobicContact CG2-CD2 4.28Å; I331-F345 PolarHBondContact N-O 2.99Å; I331-F345 VanDerWaalsContact N-O 3.1Å; I331-F345 WeakPolarHBondContact O-CD2 3.42Å; I331-F345 PolarHBondContact O-N 2.99Å; V333-F345 HydrophobicContact CG2-CE2 3.73Å; V333-F345 HydrophobicContact CG2-CZ 4.42Å; K343-F345 HydrophobicContact CB-CE2 4Å; K343-F345 HydrophobicContact CB-CZ 4.4Å; F345-I364 HydrophobicContact CD2-CD1 4.49Å; F345-I364 HydrophobicContact CE1-CD1 4.21Å; F345-I364 HydrophobicContact CE2-CD1 3.76Å; F345-I364 HydrophobicContact CZ-CD1 3.58Å; F345-W376 HydrophobicContact CB-CD2 4.14Å; F345-W376 HydrophobicContact CB-CE3 4Å; F345-W376 HydrophobicContact CB-CZ3 4.22Å; F345-W376 HydrophobicContact CD1-CB 3.76Å; F345-W376 AromaticContact CD1-CD2 3.98Å; F345-W376 HydrophobicContact CD1-CD2 3.98Å; F345-W376 AromaticContact CD1-CE3 3.8Å; F345-W376 HydrophobicContact CD1-CE3 3.8Å; F345-W376 AromaticContact CD1-CG 3.99Å; F345-W376 HydrophobicContact CD1-CG 3.99Å; F345-W376 HydrophobicContact CE1-CB 3.86Å; F345-W376 HydrophobicContact CG-CD2 4.45Å; F345-W376 HydrophobicContact CG-CE3 4.39Å; F345-M378 HydrophobicContact CZ-SD 4.06Å; F345-T381 HydrophobicContact CD1-CG2 4.23Å; F345-T381 HydrophobicContact CE1-CG2 3.79Å; F345-T381 HydrophobicContact CZ-CG2 3.92Å
346R89.9Confident88.8Confident169 Ų16960.2 Ų60.264%0.63832%0.322SS*.EExtended strand (participates in β ladder)trans-123.2138.2179.1-62.3-171179.7174.85.4109.4T330 E344 W376T330-R346 HydrophobicContact CG2-CG 4.02Å; E344-R346 VanDerWaalsContact CD-NE 3.33Å; E344-R346 VanDerWaalsContact CD-NH2 3.32Å; E344-R346 HydrophobicContact CG-CG 4.19Å; E344-R346 IonicContact OE1-CZ 2.74Å; E344-R346 VanDerWaalsContact OE1-CZ 3.29Å; E344-R346 IonicContact OE1-NE 3.6Å; E344-R346 PolarHBondContact OE1-NE 2.86Å; E344-R346 IonicContact OE1-NH2 2.97Å; E344-R346 PolarHBondContact OE1-NH2 3.49Å; E344-R346 IonicContact OE2-CZ 3.36Å; E344-R346 IonicContact OE2-NE 2.73Å; E344-R346 IonicContact OE2-NH2 3.03Å; E344-R346 PolarHBondContact OE2-NH2 2.76Å; R346-W376 WeakPolarHBondContact O-CH2 3.37Å
347G83.9Confident88.9Confident46 Ų4660.1 Ų60.147%0.47432%0.321SS..  trans154.2-4.317600000115K374G347-K374 WeakPolarHBondContact O-CE 3.11Å
348H88.5Confident89.1Confident11 Ų1151.4 Ų51.45%0.05128%0.283CS..  trans-75.4145.7159.6-77.4-64.1000110.1V352 S366 S368 D370 T372H348-V352 HydrophobicContact CB-CG2 4.12Å; H348-S366 PolarHBondContact NE2-OG 2.81Å; H348-S368 VanDerWaalsContact CE1-CB 3.4Å; H348-S368 WeakPolarHBondContact CE1-CB 3.47Å; H348-S368 WeakPolarHBondContact ND1-CB 3.05Å; H348-S368 PolarHBondContact ND1-OG 3.01Å; H348-D370 WeakPolarHBondContact CA-OD2 3.33Å; H348-D370 WeakPolarHBondContact CB-OD2 3.26Å; H348-D370 IonicContact CE1-OD2 3.61Å; H348-D370 IonicContact CG-OD2 3.95Å; H348-D370 IonicContact ND1-OD1 3.91Å; H348-D370 IonicContact ND1-OD2 2.65Å; H348-D370 PolarHBondContact ND1-OD2 2.83Å; H348-T372 PolarHBondContact ND1-OG1 3.03Å
349S87.9Confident89.1Confident91 Ų9149.8 Ų49.864%0.63627%0.271SS*.SBendtrans-96.5-7.9178.654.70000113Q329 D370Q329-S349 PolarHBondContact NE2-O 3.47Å; S349-D370 PolarHBondContact N-OD2 2.88Å; S349-D370 VanDerWaalsContact N-OD2 3.16Å; S349-D370 WeakPolarHBondContact OG-CB 3.06Å
350S90.3Very high89.2Confident32 Ų3253 Ų5322%0.22428%0.282CS..SBendtrans-140-172.5-178.9-163.30000111Q329Q329-S350 WeakPolarHBondContact CB-O 3.47Å; Q329-S350 WeakPolarHBondContact CG-O 3.16Å
351F90.9Very high89Confident82 Ų8247.2 Ų47.236%0.3626%0.262SS..  trans-61.6131.6-177.8-59.3-25.1000112.3F327 S368 S369F327-F351 HydrophobicContact CB-CD1 4.06Å; F327-F351 HydrophobicContact CB-CE1 4.36Å; F327-F351 HydrophobicContact CB-CG 4.43Å; F327-F351 HydrophobicContact CD1-CB 3.89Å; F327-F351 HydrophobicContact CD1-CD1 4.29Å; F327-F351 HydrophobicContact CD1-CD2 4.03Å; F327-F351 AromaticContact CD1-CG 3.8Å; F327-F351 HydrophobicContact CD1-CG 3.8Å; F327-F351 WeakPolarHBondContact O-CD1 3.47Å; F327-F351 VanDerWaalsContact O-CE1 3.3Å; F327-F351 WeakPolarHBondContact O-CE1 3.29Å; F351-S368 CarbonylContact O-C 3.56Å; F351-S368 WeakPolarHBondContact O-CA 3.24Å; F351-S368 PolarHBondContact O-OG 3.34Å; F351-S369 PolarHBondContact O-N 2.84Å
352V92.6Very high88.9Confident0 Ų049.2 Ų49.20%026%0.264CS..EExtended strand (participates in β ladder)trans-86.3117.7173.8-171.90000107.8T311 A325 S326 I331 H348 A367T311-V352 WeakPolarHBondContact CB-O 3.36Å; T311-V352 PolarHBondContact OG1-O 3.13Å; A325-V352 HydrophobicContact CB-CB 4.09Å; A325-V352 HydrophobicContact CB-CG1 3.68Å; S326-V352 PolarHBondContact O-N 3.19Å; I331-V352 HydrophobicContact CD1-CG1 4.19Å; I331-V352 HydrophobicContact CD1-CG2 4.5Å; I331-V352 HydrophobicContact CG1-CB 4.47Å; I331-V352 HydrophobicContact CG1-CG1 3.93Å; I331-V352 HydrophobicContact CG1-CG2 4.16Å; H348-V352 HydrophobicContact CB-CG2 4.12Å; V352-A367 CarbonylContact C-O 3.44Å; V352-A367 WeakPolarHBondContact CA-O 3.15Å; V352-A367 WeakPolarHBondContact CG1-O 3.33Å
353N90.8Very high89Confident33 Ų3347.3 Ų47.318%0.17625%0.253CS..EExtended strand (participates in β ladder)trans-88.5-43-175-64.9-26.3000111.2A367 S369 V400 N401N353-A367 PolarHBondContact N-O 3.44Å; N353-S369 PolarHBondContact ND2-OG 3.05Å; N353-S369 PolarHBondContact OD1-OG 2.98Å; N353-V400 PolarHBondContact ND2-O 3.12Å; N353-N401 WeakPolarHBondContact CB-O 3.39Å
354E90.6Very high89Confident29 Ų2944.1 Ų44.114%0.13624%0.239CC..EExtended strand (participates in β ladder)trans-140.7147.4-179.9-158.6174.2-171.300111.6C312 S366 A367 N402 V403C312-E354 HydrophobicContact CB-CG 4.29Å; E354-S366 WeakPolarHBondContact O-CA 3.38Å; E354-A367 HydrophobicContact CB-CB 4.21Å; E354-A367 PolarHBondContact N-O 3.04Å; E354-A367 PolarHBondContact O-N 2.92Å; E354-N402 WeakPolarHBondContact OE2-CA 3.33Å; E354-N402 WeakPolarHBondContact OE2-CB 3.31Å; E354-N402 PolarHBondContact OE2-OD1 3.12Å; E354-V403 PolarHBondContact OE2-N 2.94Å
355A92.8Very high89Confident2 Ų241 Ų412%0.01722%0.224CC..EExtended strand (participates in β ladder)trans-146.6133.7171.300000111.1L323 A325 I331 I364 I365L323-A355 HydrophobicContact CD2-CB 3.74Å; L323-A355 HydrophobicContact CG-CB 4.27Å; A325-A355 HydrophobicContact CB-CB 3.97Å; I331-A355 HydrophobicContact CG2-CB 4.41Å; A355-I364 HydrophobicContact CB-CG2 4.48Å; A355-I365 CarbonylContact C-O 3.59Å; A355-I365 VanDerWaalsContact CA-O 3.31Å; A355-I365 WeakPolarHBondContact CA-O 3.44Å
356T91.6Very high89Confident29 Ų2940.9 Ų40.918%0.17822%0.224CC..EExtended strand (participates in β ladder)trans-136.8143.7-175.4-70.40000111.2I365 L405T356-I365 PolarHBondContact N-O 2.65Å; T356-I365 PolarHBondContact O-N 3.23Å; T356-L405 HydrophobicContact CG2-CD1 3.69Å
357F91Very high89Confident14 Ų1432.8 Ų32.86%0.06119%0.193CC..EExtended strand (participates in β ladder)trans-73.5137.4171.3-75.4-67.5000111.8S314 F315 C316 L323 V333 I364 M378 L405S314-F357 WeakPolarHBondContact O-CE2 3.43Å; F315-F357 WeakPolarHBondContact O-CD2 3.16Å; C316-F357 HydrophobicContact CB-CD2 4.23Å; C316-F357 HydrophobicContact CB-CE2 3.9Å; C316-F357 HydrophobicContact CB-CZ 4.28Å; L323-F357 HydrophobicContact CB-CD2 4.16Å; L323-F357 HydrophobicContact CB-CE2 3.45Å; L323-F357 VanDerWaalsContact CB-CE2 3.45Å; L323-F357 HydrophobicContact CB-CZ 3.68Å; L323-F357 HydrophobicContact CD1-CZ 4.36Å; L323-F357 HydrophobicContact CD2-CD2 4.41Å; L323-F357 HydrophobicContact CD2-CE2 4.36Å; L323-F357 HydrophobicContact CD2-CZ 4.48Å; L323-F357 HydrophobicContact CG-CE2 4.45Å; L323-F357 HydrophobicContact CG-CZ 4.43Å; V333-F357 HydrophobicContact CG2-CZ 4.37Å; F357-I364 HydrophobicContact CD1-CD1 4.5Å; F357-I364 HydrophobicContact CD1-CG1 3.7Å; F357-I364 HydrophobicContact CE1-CD1 3.99Å; F357-I364 HydrophobicContact CE1-CG1 3.68Å; F357-M378 HydrophobicContact CD1-CE 4.47Å; F357-M378 HydrophobicContact CD1-SD 4.44Å; F357-M378 HydrophobicContact CE1-CE 3.52Å; F357-M378 HydrophobicContact CE1-CG 4.34Å; F357-M378 HydrophobicContact CE1-SD 3.66Å; F357-M378 HydrophobicContact CZ-CE 4.16Å; F357-L405 WeakPolarHBondContact O-CD1 3.45Å
358T88.4Confident89.4Confident5 Ų530.6 Ų30.63%0.03117%0.171CC..  trans-65.1154.7165.763.80000110.6D360 G361 H363 I365 M427T358-D360 PolarHBondContact O-N 3.49Å; T358-D360 VanDerWaalsContact O-N 3.14Å; T358-G361 PolarHBondContact O-N 2.9Å; T358-H363 HydrophobicContact CG2-CB 3.67Å; T358-H363 PolarHBondContact N-O 3.5Å; T358-H363 PolarHBondContact OG1-N 3.28Å; T358-H363 PolarHBondContact OG1-O 3.19Å; T358-I365 HydrophobicContact CG2-CD1 4.09Å; T358-I365 HydrophobicContact CG2-CG1 3.94Å; T358-M427 HydrophobicContact CG2-CE 4.11Å
359P82.6Confident89.4Confident37 Ų3731.4 Ų31.424%0.2418%0.178CC..THydrogen-bonded Turntrans-61.5-27.5-178.7-2641000111.7K317 G361 L405 P410K317-P359 WeakPolarHBondContact CD-O 3.16Å; K317-P359 WeakPolarHBondContact CE-O 3.49Å; K317-P359 VanDerWaalsContact NZ-C 3.34Å; K317-P359 PolarHBondContact NZ-O 2.99Å; P359-G361 PolarHBondContact O-N 2.93Å; P359-L405 HydrophobicContact CG-CD1 4.45Å; P359-P410 HydrophobicContact CB-CB 4.26Å; P359-P410 HydrophobicContact CG-CB 3.75Å
360D82.4Confident89.2Confident97 Ų9727.9 Ų27.952%0.51915%0.151SC..THydrogen-bonded Turntrans-77.1-11.1179.1-55.5-21.8000112.6T358 H362T358-D360 PolarHBondContact O-N 3.49Å; T358-D360 VanDerWaalsContact O-N 3.14Å; D360-H362 PolarHBondContact O-N 3.27Å; D360-H362 VanDerWaalsContact O-N 3.15Å
361G82.1Confident89Confident21 Ų2126.6 Ų26.622%0.21614%0.144CC..SBendtrans70.5318000000114.2T358 P359T358-G361 PolarHBondContact O-N 2.9Å; P359-G361 PolarHBondContact O-N 2.93Å
362H86.5Confident88.8Confident106 Ų10623.4 Ų23.449%0.49113%0.131SC..SBendtrans-88.6-21.7179.4-66.6-35.3000113.4D360 M378D360-H362 PolarHBondContact O-N 3.27Å; D360-H362 VanDerWaalsContact O-N 3.15Å; H362-M378 VanDerWaalsContact O-CB 3.31Å; H362-M378 WeakPolarHBondContact O-CB 3.4Å; H362-M378 PolarHBondContact O-N 3.06Å
363H90.1Very high88.7Confident54 Ų5423.4 Ų23.425%0.2513%0.131CC..EExtended strand (participates in β ladder)trans-128.5154-177.5-61.8-71.7000111.7T358 V375 W376T358-H363 HydrophobicContact CG2-CB 3.67Å; T358-H363 PolarHBondContact N-O 3.5Å; T358-H363 PolarHBondContact OG1-N 3.28Å; T358-H363 PolarHBondContact OG1-O 3.19Å; H363-V375 HydrophobicContact CB-CG1 4.02Å; H363-W376 CarbonylContact C-O 3.54Å; H363-W376 WeakPolarHBondContact CA-O 3.24Å; H363-W376 PolarHBondContact ND1-O 3.23Å
364I91.6Very high88.8Confident0 Ų023.2 Ų23.20%013%0.129CC..EExtended strand (participates in β ladder)trans-117.6137.6168.3-65.7159.5000107.4L323 V333 F345 A355 F357 V375 W376 M378L323-I364 HydrophobicContact CD1-CD1 3.58Å; L323-I364 HydrophobicContact CD1-CG1 4.22Å; L323-I364 HydrophobicContact CD1-CG2 4.24Å; L323-I364 HydrophobicContact CD2-CG1 4.27Å; L323-I364 HydrophobicContact CD2-CG2 3.65Å; V333-I364 HydrophobicContact CG2-CD1 4.05Å; F345-I364 HydrophobicContact CD2-CD1 4.49Å; F345-I364 HydrophobicContact CE1-CD1 4.21Å; F345-I364 HydrophobicContact CE2-CD1 3.76Å; F345-I364 HydrophobicContact CZ-CD1 3.58Å; A355-I364 HydrophobicContact CB-CG2 4.48Å; F357-I364 HydrophobicContact CD1-CD1 4.5Å; F357-I364 HydrophobicContact CD1-CG1 3.7Å; F357-I364 HydrophobicContact CE1-CD1 3.99Å; F357-I364 HydrophobicContact CE1-CG1 3.68Å; I364-V375 CarbonylContact O-C 3.54Å; I364-V375 WeakPolarHBondContact O-CA 3.38Å; I364-W376 HydrophobicContact CB-CB 4.31Å; I364-W376 PolarHBondContact N-O 2.88Å; I364-W376 PolarHBondContact O-N 3.01Å; I364-M378 HydrophobicContact CD1-CG 4.07Å; I364-M378 HydrophobicContact CD1-SD 3.2Å; I364-M378 WeakPolarHBondContact CD1-SD 3.06Å; I364-M378 HydrophobicContact CG1-CG 3.99Å; I364-M378 HydrophobicContact CG1-SD 3.7Å
365I91.9Very high88.8Confident0 Ų022 Ų220%012%0.123CC..EExtended strand (participates in β ladder)trans-108131.8169.8-46.8-178.2000107.9A355 T356 T358 V373 K374 V375 V403 L405 F413 M427A355-I365 CarbonylContact C-O 3.59Å; A355-I365 VanDerWaalsContact CA-O 3.31Å; A355-I365 WeakPolarHBondContact CA-O 3.44Å; T356-I365 PolarHBondContact N-O 2.65Å; T356-I365 PolarHBondContact O-N 3.23Å; T358-I365 HydrophobicContact CG2-CD1 4.09Å; T358-I365 HydrophobicContact CG2-CG1 3.94Å; I365-V373 HydrophobicContact CG2-CG1 3.52Å; I365-K374 WeakPolarHBondContact CA-O 3.39Å; I365-V375 HydrophobicContact CG1-CG2 4.38Å; I365-V375 HydrophobicContact CG2-CG2 4.5Å; I365-V403 HydrophobicContact CB-CG1 4.27Å; I365-V403 HydrophobicContact CG2-CG1 3.66Å; I365-L405 HydrophobicContact CD1-CD2 3.73Å; I365-L405 HydrophobicContact CD1-CG 4.44Å; I365-F413 HydrophobicContact CD1-CB 4.33Å; I365-F413 HydrophobicContact CD1-CD1 3.96Å; I365-F413 HydrophobicContact CD1-CG 4.15Å; I365-M427 HydrophobicContact CD1-CE 4.45Å; I365-M427 HydrophobicContact CD1-SD 3.69Å; I365-M427 HydrophobicContact CG1-SD 4.46Å
366S91.9Very high88.8Confident0 Ų022.2 Ų22.20%012%0.123CC..EExtended strand (participates in β ladder)trans-127.3142.6177.860.10000112.4I331 H348 E354 V373 K374 W376I331-S366 WeakPolarHBondContact CD1-OG 3.21Å; H348-S366 PolarHBondContact NE2-OG 2.81Å; E354-S366 WeakPolarHBondContact O-CA 3.38Å; S366-V373 CarbonylContact O-C 3.57Å; S366-V373 VanDerWaalsContact O-CA 3.26Å; S366-V373 WeakPolarHBondContact O-CA 3.22Å; S366-V373 WeakPolarHBondContact O-CG1 3.46Å; S366-K374 PolarHBondContact N-O 2.54Å; S366-K374 PolarHBondContact O-N 3.2Å; S366-K374 PolarHBondContact OG-O 2.78Å; S366-W376 PolarHBondContact OG-NE1 3.35Å
367A91Very high88.8Confident0 Ų022.9 Ų22.90%013%0.126CC..EExtended strand (participates in β ladder)trans-110.7133.7178.500000109.8V352 N353 E354 V400 V403V352-A367 CarbonylContact C-O 3.44Å; V352-A367 WeakPolarHBondContact CA-O 3.15Å; V352-A367 WeakPolarHBondContact CG1-O 3.33Å; N353-A367 PolarHBondContact N-O 3.44Å; E354-A367 HydrophobicContact CB-CB 4.21Å; E354-A367 PolarHBondContact N-O 3.04Å; E354-A367 PolarHBondContact O-N 2.92Å; A367-V400 HydrophobicContact CB-CB 4.34Å; A367-V400 HydrophobicContact CB-CG1 3.84Å; A367-V403 HydrophobicContact CB-CB 4.05Å; A367-V403 HydrophobicContact CB-CG2 3.47Å; A367-V403 VanDerWaalsContact CB-CG2 3.47Å
368S91.1Very high88.7Confident0 Ų022.9 Ų22.90%013%0.126CC..EExtended strand (participates in β ladder)trans-133.2154.1-177.51740000112.5H348 F351 D370 G371 T372 V400H348-S368 VanDerWaalsContact CE1-CB 3.4Å; H348-S368 WeakPolarHBondContact CE1-CB 3.47Å; H348-S368 WeakPolarHBondContact ND1-CB 3.05Å; H348-S368 PolarHBondContact ND1-OG 3.01Å; F351-S368 CarbonylContact O-C 3.56Å; F351-S368 WeakPolarHBondContact O-CA 3.24Å; F351-S368 PolarHBondContact O-OG 3.34Å; S368-D370 VanDerWaalsContact CB-OD1 3.24Å; S368-D370 WeakPolarHBondContact CB-OD1 3.08Å; S368-D370 PolarHBondContact O-N 3.34Å; S368-D370 PolarHBondContact OG-N 3.09Å; S368-D370 VanDerWaalsContact OG-N 3.16Å; S368-D370 PolarHBondContact OG-OD1 2.75Å; S368-D370 PolarHBondContact OG-OD2 2.86Å; S368-G371 PolarHBondContact O-N 3.01Å; S368-T372 PolarHBondContact N-O 3.21Å; S368-V400 WeakPolarHBondContact O-CB 3.31Å; S368-V400 PolarHBondContact O-N 3.18Å; S368-V400 VanDerWaalsContact O-N 3.1Å
369S88.4Confident88.6Confident28 Ų2830.3 Ų30.320%0.19616%0.158CC..THydrogen-bonded Turntrans-67.6-5.2170.7-62.20000113F351 N353 G371F351-S369 PolarHBondContact O-N 2.84Å; N353-S369 PolarHBondContact ND2-OG 3.05Å; N353-S369 PolarHBondContact OD1-OG 2.98Å; S369-G371 PolarHBondContact O-N 3.35Å
370D85.4Confident88.8Confident16 Ų1631.6 Ų31.69%0.08617%0.166CC..THydrogen-bonded Turntrans-77.31.6169.962.826.2000113.8H348 S349 S368 T372H348-D370 WeakPolarHBondContact CA-OD2 3.33Å; H348-D370 WeakPolarHBondContact CB-OD2 3.26Å; H348-D370 IonicContact CE1-OD2 3.61Å; H348-D370 IonicContact CG-OD2 3.95Å; H348-D370 IonicContact ND1-OD1 3.91Å; H348-D370 IonicContact ND1-OD2 2.65Å; H348-D370 PolarHBondContact ND1-OD2 2.83Å; S349-D370 PolarHBondContact N-OD2 2.88Å; S349-D370 VanDerWaalsContact N-OD2 3.16Å; S349-D370 WeakPolarHBondContact OG-CB 3.06Å; S368-D370 VanDerWaalsContact CB-OD1 3.24Å; S368-D370 WeakPolarHBondContact CB-OD1 3.08Å; S368-D370 PolarHBondContact O-N 3.34Å; S368-D370 PolarHBondContact OG-N 3.09Å; S368-D370 VanDerWaalsContact OG-N 3.16Å; S368-D370 PolarHBondContact OG-OD1 2.75Å; S368-D370 PolarHBondContact OG-OD2 2.86Å; D370-T372 VanDerWaalsContact C-N 3.26Å; D370-T372 VanDerWaalsContact CG-OG1 3.31Å; D370-T372 PolarHBondContact O-N 3.11Å; D370-T372 WeakPolarHBondContact OD1-CA 3.49Å; D370-T372 VanDerWaalsContact OD1-CB 3.26Å; D370-T372 WeakPolarHBondContact OD1-CB 3.39Å; D370-T372 PolarHBondContact OD1-N 3.06Å; D370-T372 PolarHBondContact OD1-OG1 3Å; D370-T372 PolarHBondContact OD2-OG1 3.19Å
371G84.3Confident89Confident6 Ų629.5 Ų29.56%0.06216%0.156CC..SBendtrans77.79.7-179.100000114.4S368 S369 S389 I398S368-G371 PolarHBondContact O-N 3.01Å; S369-G371 PolarHBondContact O-N 3.35Å; G371-S389 PolarHBondContact O-N 2.93Å; G371-I398 WeakPolarHBondContact CA-O 3.46Å
372T88.6Confident89.3Confident14 Ų1434.7 Ų34.79%0.08618%0.175CC..EExtended strand (participates in β ladder)trans-112.5141.6178.977.30000112.3H348 S368 D370 T386 F387 K388H348-T372 PolarHBondContact ND1-OG1 3.03Å; S368-T372 PolarHBondContact N-O 3.21Å; D370-T372 VanDerWaalsContact C-N 3.26Å; D370-T372 VanDerWaalsContact CG-OG1 3.31Å; D370-T372 PolarHBondContact O-N 3.11Å; D370-T372 WeakPolarHBondContact OD1-CA 3.49Å; D370-T372 VanDerWaalsContact OD1-CB 3.26Å; D370-T372 WeakPolarHBondContact OD1-CB 3.39Å; D370-T372 PolarHBondContact OD1-N 3.06Å; D370-T372 PolarHBondContact OD1-OG1 3Å; D370-T372 PolarHBondContact OD2-OG1 3.19Å; T372-T386 HydrophobicContact CG2-CG2 4.18Å; T372-F387 CarbonylContact C-O 3.55Å; T372-F387 VanDerWaalsContact CA-O 3.28Å; T372-F387 WeakPolarHBondContact CA-O 3.39Å; T372-K388 HydrophobicContact CG2-CG 4.19Å
373V90.4Very high89.4Confident1 Ų131.8 Ų31.81%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-104.3124.4164.5179.50000107.4I365 S366 F387 V400 V403 F413 V415I365-V373 HydrophobicContact CG2-CG1 3.52Å; S366-V373 CarbonylContact O-C 3.57Å; S366-V373 VanDerWaalsContact O-CA 3.26Å; S366-V373 WeakPolarHBondContact O-CA 3.22Å; S366-V373 WeakPolarHBondContact O-CG1 3.46Å; V373-F387 HydrophobicContact CB-CB 4.38Å; V373-F387 HydrophobicContact CB-CD2 4.37Å; V373-F387 HydrophobicContact CG1-CD2 4.29Å; V373-F387 PolarHBondContact N-O 3.12Å; V373-F387 PolarHBondContact O-N 2.89Å; V373-V400 HydrophobicContact CG2-CG1 3.94Å; V373-V400 HydrophobicContact CG2-CG2 4.2Å; V373-V403 HydrophobicContact CG1-CG2 4.13Å; V373-V403 HydrophobicContact CG2-CG2 3.91Å; V373-F413 HydrophobicContact CG1-CE2 3.99Å; V373-V415 HydrophobicContact CG2-CG1 3.9Å; V373-V415 HydrophobicContact CG2-CG2 4.2Å
374K91.3Very high89.3Confident29 Ų2932.7 Ų32.713%0.12618%0.176CC..EExtended strand (participates in β ladder)trans-113.2141.6-180-71.5179.8-179.2-79.70110.9G347 I365 S366 W376 N385 T386G347-K374 WeakPolarHBondContact O-CE 3.11Å; I365-K374 WeakPolarHBondContact CA-O 3.39Å; S366-K374 PolarHBondContact N-O 2.54Å; S366-K374 PolarHBondContact O-N 3.2Å; S366-K374 PolarHBondContact OG-O 2.78Å; K374-W376 HydrophobicContact CB-CZ2 4Å; K374-W376 HydrophobicContact CD-CH2 4.19Å; K374-W376 HydrophobicContact CD-CZ2 3.61Å; K374-W376 HydrophobicContact CG-CZ2 4.45Å; K374-N385 WeakPolarHBondContact CA-O 3.26Å; K374-T386 HydrophobicContact CG-CG2 4.07Å; K374-T386 PolarHBondContact NZ-OG1 3.06Å
375V91.9Very high89Confident3 Ų335.6 Ų35.62%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-107.8122.7171.6-177.50000108.3H363 I364 I365 T384 N385 F387 M427H363-V375 HydrophobicContact CB-CG1 4.02Å; I364-V375 CarbonylContact O-C 3.54Å; I364-V375 WeakPolarHBondContact O-CA 3.38Å; I365-V375 HydrophobicContact CG1-CG2 4.38Å; I365-V375 HydrophobicContact CG2-CG2 4.5Å; V375-T384 PolarHBondContact O-N 2.79Å; V375-N385 HydrophobicContact CB-CB 4.27Å; V375-N385 HydrophobicContact CG2-CB 4.45Å; V375-N385 PolarHBondContact N-O 3.5Å; V375-N385 PolarHBondContact O-N 2.7Å; V375-F387 HydrophobicContact CG2-CD2 4.38Å; V375-F387 HydrophobicContact CG2-CE2 3.48Å; V375-F387 VanDerWaalsContact CG2-CE2 3.48Å; V375-F387 HydrophobicContact CG2-CZ 4.12Å; V375-M427 HydrophobicContact CG1-CE 3.8Å; V375-M427 HydrophobicContact CG2-CE 4.31Å
376W92.6Very high88.8Confident6 Ų638.8 Ų38.82%0.02321%0.211CC..EExtended strand (participates in β ladder)trans-108.3142.9-177.7-53.886.6000110.4F345 R346 H363 I364 S366 K374 E382 C383F345-W376 HydrophobicContact CB-CD2 4.14Å; F345-W376 HydrophobicContact CB-CE3 4Å; F345-W376 HydrophobicContact CB-CZ3 4.22Å; F345-W376 HydrophobicContact CD1-CB 3.76Å; F345-W376 AromaticContact CD1-CD2 3.98Å; F345-W376 HydrophobicContact CD1-CD2 3.98Å; F345-W376 AromaticContact CD1-CE3 3.8Å; F345-W376 HydrophobicContact CD1-CE3 3.8Å; F345-W376 AromaticContact CD1-CG 3.99Å; F345-W376 HydrophobicContact CD1-CG 3.99Å; F345-W376 HydrophobicContact CE1-CB 3.86Å; F345-W376 HydrophobicContact CG-CD2 4.45Å; F345-W376 HydrophobicContact CG-CE3 4.39Å; R346-W376 WeakPolarHBondContact O-CH2 3.37Å; H363-W376 CarbonylContact C-O 3.54Å; H363-W376 WeakPolarHBondContact CA-O 3.24Å; H363-W376 PolarHBondContact ND1-O 3.23Å; I364-W376 HydrophobicContact CB-CB 4.31Å; I364-W376 PolarHBondContact N-O 2.88Å; I364-W376 PolarHBondContact O-N 3.01Å; S366-W376 PolarHBondContact OG-NE1 3.35Å; K374-W376 HydrophobicContact CB-CZ2 4Å; K374-W376 HydrophobicContact CD-CH2 4.19Å; K374-W376 HydrophobicContact CD-CZ2 3.61Å; K374-W376 HydrophobicContact CG-CZ2 4.45Å; W376-E382 WeakPolarHBondContact CA-O 3.46Å; W376-C383 HydrophobicContact CD2-CB 4.4Å; W376-C383 HydrophobicContact CE3-CB 3.83Å; W376-C383 HydrophobicContact CH2-CB 4.04Å; W376-C383 HydrophobicContact CZ3-CB 3.65Å
377N91.3Very high88.4Confident43 Ų4339.6 Ų39.623%0.2321%0.214CC..EExtended strand (participates in β ladder)trans-85124.6169.9-172.8-38.5000109.9K379 T380 T381 E382N377-K379 VanDerWaalsContact C-N 3.26Å; N377-K379 PolarHBondContact O-N 3.43Å; N377-K379 PolarHBondContact OD1-N 3.21Å; N377-T380 WeakPolarHBondContact CB-OG1 3.14Å; N377-T381 WeakPolarHBondContact O-CA 3.21Å; N377-T381 PolarHBondContact O-N 3.43Å; N377-E382 PolarHBondContact N-O 2.8Å
378M88.3Confident87.8Confident15 Ų1547 Ų477%0.07425%0.246CC..THydrogen-bonded Turntrans-61.2-32.3-179.2-87.5-69.5-82.100113.5Q321 V333 K343 F345 F357 H362 I364Q321-M378 VanDerWaalsContact OE1-CE 3.29Å; V333-M378 HydrophobicContact CG1-CE 4.44Å; V333-M378 HydrophobicContact CG2-CE 4.37Å; V333-M378 HydrophobicContact CG2-SD 4.18Å; K343-M378 WeakPolarHBondContact CD-O 3.34Å; K343-M378 PolarHBondContact NZ-O 2.91Å; F345-M378 HydrophobicContact CZ-SD 4.06Å; F357-M378 HydrophobicContact CD1-CE 4.47Å; F357-M378 HydrophobicContact CD1-SD 4.44Å; F357-M378 HydrophobicContact CE1-CE 3.52Å; F357-M378 HydrophobicContact CE1-CG 4.34Å; F357-M378 HydrophobicContact CE1-SD 3.66Å; F357-M378 HydrophobicContact CZ-CE 4.16Å; H362-M378 VanDerWaalsContact O-CB 3.31Å; H362-M378 WeakPolarHBondContact O-CB 3.4Å; H362-M378 PolarHBondContact O-N 3.06Å; I364-M378 HydrophobicContact CD1-CG 4.07Å; I364-M378 HydrophobicContact CD1-SD 3.2Å; I364-M378 WeakPolarHBondContact CD1-SD 3.06Å; I364-M378 HydrophobicContact CG1-CG 3.99Å; I364-M378 HydrophobicContact CG1-SD 3.7Å
379K87.1Confident86.4Confident160 Ų16047.5 Ų47.570%0.69625%0.25SC*.THydrogen-bonded Turntrans-79.4-53.3-177.1-71.2-175.8-179.5176.90111.6K343 N377K343-K379 PolarHBondContact NZ-O 2.93Å; N377-K379 VanDerWaalsContact C-N 3.26Å; N377-K379 PolarHBondContact O-N 3.43Å; N377-K379 PolarHBondContact OD1-N 3.21Å
380T86.1Confident84.9Confident65 Ų6551.8 Ų51.840%0.39927%0.27SS..THydrogen-bonded Turntrans-86.3-14.4-173.163.80000113.6N377 E382N377-T380 WeakPolarHBondContact CB-OG1 3.14Å; T380-E382 PolarHBondContact O-N 3.41Å; T380-E382 PolarHBondContact OG1-N 3.06Å
381T86.9Confident83.2Confident52 Ų5253.2 Ų53.232%0.31929%0.288SS..  trans62.910.3-17460.90000115.5K343 F345 N377K343-T381 HydrophobicContact CB-CG2 3.99Å; K343-T381 HydrophobicContact CD-CG2 3.75Å; K343-T381 HydrophobicContact CG-CG2 4.16Å; F345-T381 HydrophobicContact CD1-CG2 4.23Å; F345-T381 HydrophobicContact CE1-CG2 3.79Å; F345-T381 HydrophobicContact CZ-CG2 3.92Å; N377-T381 WeakPolarHBondContact O-CA 3.21Å; N377-T381 PolarHBondContact O-N 3.43Å
382E88.6Confident81.3Confident130 Ų13058.1 Ų58.161%0.60732%0.317SS*.  trans-88.5147.5-179.6-66.5168.3166.300111.5W376 N377 T380 T384W376-E382 WeakPolarHBondContact CA-O 3.46Å; N377-E382 PolarHBondContact N-O 2.8Å; T380-E382 PolarHBondContact O-N 3.41Å; T380-E382 PolarHBondContact OG1-N 3.06Å; E382-T384 PolarHBondContact O-N 3.05Å
383C88.7Confident79Confident46 Ų4664 Ų6431%0.31136%0.359SS..EExtended strand (participates in β ladder)trans-72.4111.8170.6176.20000108.6W376 N385 T386W376-C383 HydrophobicContact CD2-CB 4.4Å; W376-C383 HydrophobicContact CE3-CB 3.83Å; W376-C383 HydrophobicContact CH2-CB 4.04Å; W376-C383 HydrophobicContact CZ3-CB 3.65Å; C383-N385 PolarHBondContact SG-O 2.84Å; C383-N385 VanDerWaalsContact SG-O 3.42Å; C383-T386 PolarHBondContact SG-OG1 3.17Å
384T87.5Confident76.8Confident73 Ų7367 Ų6745%0.44838%0.384SS..EExtended strand (participates in β ladder)trans-77.8-52.5177.6-47.80000110.4V375 E382V375-T384 PolarHBondContact O-N 2.79Å; E382-T384 PolarHBondContact O-N 3.05Å
385N85Confident74.6Confident61 Ų6170.2 Ų70.233%0.32643%0.425SS..EExtended strand (participates in β ladder)trans-130.4143.6-177.6-68.6-20.8000110.7K374 V375 C383 F387 M427K374-N385 WeakPolarHBondContact CA-O 3.26Å; V375-N385 HydrophobicContact CB-CB 4.27Å; V375-N385 HydrophobicContact CG2-CB 4.45Å; V375-N385 PolarHBondContact N-O 3.5Å; V375-N385 PolarHBondContact O-N 2.7Å; C383-N385 PolarHBondContact SG-O 2.84Å; C383-N385 VanDerWaalsContact SG-O 3.42Å; N385-F387 HydrophobicContact CB-CE1 3.72Å; N385-F387 HydrophobicContact CB-CE2 4.19Å; N385-F387 HydrophobicContact CB-CZ 3.47Å; N385-F387 VanDerWaalsContact CB-CZ 3.47Å; N385-M427 PolarHBondContact ND2-O 2.85Å
386T87.9Confident72.9Confident67 Ų6775 Ų7541%0.41146%0.455SS..EExtended strand (participates in β ladder)trans-122.2122.5169.5-60.20000108.5T372 K374 C383T372-T386 HydrophobicContact CG2-CG2 4.18Å; K374-T386 HydrophobicContact CG-CG2 4.07Å; K374-T386 PolarHBondContact NZ-OG1 3.06Å; C383-T386 PolarHBondContact SG-OG1 3.17Å
387F84.3Confident71.4Confident17 Ų1780.8 Ų80.88%0.07549%0.486CS..EExtended strand (participates in β ladder)trans-108.2134.5175.9-47.3-56000109T372 V373 V375 N385 F413 M427 G429T372-F387 CarbonylContact C-O 3.55Å; T372-F387 VanDerWaalsContact CA-O 3.28Å; T372-F387 WeakPolarHBondContact CA-O 3.39Å; V373-F387 HydrophobicContact CB-CB 4.38Å; V373-F387 HydrophobicContact CB-CD2 4.37Å; V373-F387 HydrophobicContact CG1-CD2 4.29Å; V373-F387 PolarHBondContact N-O 3.12Å; V373-F387 PolarHBondContact O-N 2.89Å; V375-F387 HydrophobicContact CG2-CD2 4.38Å; V375-F387 HydrophobicContact CG2-CE2 3.48Å; V375-F387 VanDerWaalsContact CG2-CE2 3.48Å; V375-F387 HydrophobicContact CG2-CZ 4.12Å; N385-F387 HydrophobicContact CB-CE1 3.72Å; N385-F387 HydrophobicContact CB-CE2 4.19Å; N385-F387 HydrophobicContact CB-CZ 3.47Å; N385-F387 VanDerWaalsContact CB-CZ 3.47Å; F387-F413 HydrophobicContact CD2-CE2 4.5Å; F387-F413 AromaticContact CD2-CZ 3.73Å; F387-F413 HydrophobicContact CD2-CZ 3.73Å; F387-F413 HydrophobicContact CE2-CE1 4.17Å; F387-F413 AromaticContact CE2-CZ 3.73Å; F387-F413 HydrophobicContact CE2-CZ 3.73Å; F387-M427 VanDerWaalsContact CZ-O 3.28Å; F387-M427 WeakPolarHBondContact CZ-O 3.31Å; F387-G429 VanDerWaalsContact CE1-N 3.27Å
388K78.4Confident70.6Confident154 Ų15480 Ų8067%0.6748%0.482SS*.EExtended strand (participates in β ladder)trans-100.4120.8168.9-65.2-166.8172-164.50107.4T372 L390T372-K388 HydrophobicContact CG2-CG 4.19Å; K388-L390 PolarHBondContact O-N 2.73Å
389S62.3Low70.2Confident11 Ų1181.1 Ų81.18%0.07749%0.489CS..  trans-65.6132.3172.352.60000108.7G371 G391G371-S389 PolarHBondContact O-N 2.93Å; S389-G391 PolarHBondContact O-N 3.45Å
390L56.8Low70Confident118 Ų11873.5 Ų73.562%0.61846%0.456SS*.  trans-45.3108.6-177.8-79.2165.2000111.4K388 I431K388-L390 PolarHBondContact O-N 2.73Å; L390-I431 HydrophobicContact CD1-CD1 3.14Å; L390-I431 HydrophobicContact CG-CD1 3.58Å
391G49.3Very low69.9Low46 Ų4671.8 Ų71.847%0.47445%0.445SS..  trans-82.4119.7158.500000108.5S389 S393S389-G391 PolarHBondContact O-N 3.45Å; G391-S393 PolarHBondContact O-N 2.94Å
392T43.1Very low69.7Low109 Ų10970.9 Ų70.967%0.66944%0.438SS*.  trans-48.9125.9158.740.60000108.8A394T392-A394 PolarHBondContact O-N 2.96Å
393S40.2Very low69.5Low137 Ų13764.8 Ų64.896%0.95841%0.409SS*.SBendtrans5.82115739.50000123.2G391G391-S393 PolarHBondContact O-N 2.94Å
394A45.8Very low69.4Low66 Ų6664.2 Ų64.255%0.54540%0.403SS..SBendtrans-138.4121.7176.600000106.4T392 T396T392-A394 PolarHBondContact O-N 2.96Å; A394-T396 PolarHBondContact O-N 3.44Å
395G44.4Very low69.2Low95 Ų9561.9 Ų61.998%0.97939%0.387SS*.SBendtrans-68.848-16700000116.7
396T55.6Low69.2Low105 Ų10559.9 Ų59.964%0.64438%0.377SS*.  trans-108.9115.7168.7480000108.8A394 I398A394-T396 PolarHBondContact O-N 3.44Å; T396-I398 PolarHBondContact O-N 2.94Å
397D62.7Low68.7Low127 Ų12760.3 Ų60.368%0.67938%0.381SS*.PPolyproline II helixtrans-62120.4174-69.3-44.2000109.3
398I74.1Confident68.3Low27 Ų2765.3 Ų65.314%0.13840%0.402CS..PPolyproline II helixtrans-83.7126.2-176.7-55.3176.6000108.7G371 T396 N417 R418G371-I398 WeakPolarHBondContact CA-O 3.46Å; T396-I398 PolarHBondContact O-N 2.94Å; I398-N417 HydrophobicContact CG2-CB 3.91Å; I398-R418 VanDerWaalsContact CG2-O 3.31Å; I398-R418 WeakPolarHBondContact CG2-O 3.38Å
399T80.3Confident68.4Low38 Ų3861.9 Ų61.923%0.23339%0.391CS..PPolyproline II helixtrans-63.4136.9-178.9640000111.4N401 N417 R418T399-N401 PolarHBondContact OG1-OD1 3.04Å; T399-N417 CarbonylContact O-C 3.59Å; T399-N417 WeakPolarHBondContact O-CA 3.2Å; T399-R418 PolarHBondContact O-N 3.47Å; T399-R418 WeakPolarHBondContact OG1-CB 3.24Å
400V82.4Confident69.1Low0 Ų063.8 Ų63.80%040%0.403CS..EExtended strand (participates in β ladder)trans-94.4117.6172.5-171.60000109N353 A367 S368 V373 V403 V415N353-V400 PolarHBondContact ND2-O 3.12Å; A367-V400 HydrophobicContact CB-CB 4.34Å; A367-V400 HydrophobicContact CB-CG1 3.84Å; S368-V400 WeakPolarHBondContact O-CB 3.31Å; S368-V400 PolarHBondContact O-N 3.18Å; S368-V400 VanDerWaalsContact O-N 3.1Å; V373-V400 HydrophobicContact CG2-CG1 3.94Å; V373-V400 HydrophobicContact CG2-CG2 4.2Å; V400-V403 HydrophobicContact CG1-CG2 4.21Å; V400-V415 HydrophobicContact CG1-CG1 3.45Å; V400-V415 VanDerWaalsContact CG1-CG1 3.45Å; V400-V415 HydrophobicContact CG2-CG1 4.5Å
401N82.9Confident70.3Confident29 Ų2962.1 Ų62.116%0.15539%0.392CS..EExtended strand (participates in β ladder)trans-89.4-47.5-173.1-65.8-14.8000111.8N353 T399 C416 F445 V446N353-N401 WeakPolarHBondContact CB-O 3.39Å; T399-N401 PolarHBondContact OG1-OD1 3.04Å; N401-C416 PolarHBondContact N-O 3.14Å; N401-F445 PolarHBondContact ND2-O 2.84Å; N401-V446 WeakPolarHBondContact CB-O 3.46Å; N401-V446 PolarHBondContact ND2-O 2.91Å
402N83.4Confident72.1Confident32 Ų3261.7 Ų61.717%0.17138%0.378CS..EExtended strand (participates in β ladder)trans-137.5148.5-177.3-75.6-80.9000112.6E354 C416 V446 C447E354-N402 WeakPolarHBondContact OE2-CA 3.33Å; E354-N402 WeakPolarHBondContact OE2-CB 3.31Å; E354-N402 PolarHBondContact OE2-OD1 3.12Å; N402-C416 HydrophobicContact CB-CB 4.15Å; N402-C416 PolarHBondContact N-O 2.64Å; N402-C416 VanDerWaalsContact N-O 3.17Å; N402-C416 PolarHBondContact O-N 3.25Å; N402-V446 PolarHBondContact ND2-O 2.95Å; N402-C447 WeakPolarHBondContact ND2-CA 3.4Å
403V84.5Confident74.3Confident2 Ų256.5 Ų56.51%0.01235%0.346CS..EExtended strand (participates in β ladder)trans-134.3118.3171.9169.70000110.4E354 I365 A367 V373 V400 F413 V414 V415E354-V403 PolarHBondContact OE2-N 2.94Å; I365-V403 HydrophobicContact CB-CG1 4.27Å; I365-V403 HydrophobicContact CG2-CG1 3.66Å; A367-V403 HydrophobicContact CB-CB 4.05Å; A367-V403 HydrophobicContact CB-CG2 3.47Å; A367-V403 VanDerWaalsContact CB-CG2 3.47Å; V373-V403 HydrophobicContact CG1-CG2 4.13Å; V373-V403 HydrophobicContact CG2-CG2 3.91Å; V400-V403 HydrophobicContact CG1-CG2 4.21Å; V403-F413 HydrophobicContact CG1-CB 4.43Å; V403-F413 HydrophobicContact CG1-CD2 4.05Å; V403-V414 VanDerWaalsContact CA-O 3.32Å; V403-V414 WeakPolarHBondContact CA-O 3.4Å; V403-V415 HydrophobicContact CG2-CG1 4.37Å; V403-V415 HydrophobicContact CG2-CG2 4.29Å
404I85.9Confident76.6Confident34 Ų3450 Ų5017%0.17430%0.301CS..EExtended strand (participates in β ladder)trans-127.7128.3-175.3-48.9-178.5000110.2F413 V414 C448 L450I404-F413 CarbonylContact O-C 3.58Å; I404-F413 WeakPolarHBondContact O-CA 3.26Å; I404-V414 PolarHBondContact N-O 3.32Å; I404-V414 PolarHBondContact O-N 2.95Å; I404-C448 WeakPolarHBondContact CD1-O 3.34Å; I404-C448 VanDerWaalsContact CD1-SG 3.51Å; I404-L450 HydrophobicContact CB-CD1 4.17Å; I404-L450 HydrophobicContact CG2-CD1 3.59Å; I404-L450 HydrophobicContact CG2-CG 4.22Å
405L84.9Confident78.6Confident24 Ų2447 Ų4713%0.12628%0.275CS..EExtended strand (participates in β ladder)trans-73.4142175.8-72.5157000111.6T356 F357 P359 I365 P407 F413 L450T356-L405 HydrophobicContact CG2-CD1 3.69Å; F357-L405 WeakPolarHBondContact O-CD1 3.45Å; P359-L405 HydrophobicContact CG-CD1 4.45Å; I365-L405 HydrophobicContact CD1-CD2 3.73Å; I365-L405 HydrophobicContact CD1-CG 4.44Å; L405-P407 WeakPolarHBondContact O-CD 3.47Å; L405-F413 HydrophobicContact CD2-CB 4.18Å; L405-L450 WeakPolarHBondContact O-CD1 3.49Å
406L83.7Confident80.6Confident19 Ų1942.4 Ų42.410%0.09923%0.229CC..  trans-75.1127175.3-85.1154.2000110.9K408 N409 H412 V414 I424 L450L406-K408 VanDerWaalsContact C-N 3.31Å; L406-K408 PolarHBondContact O-N 2.84Å; L406-N409 CarbonylContact O-C 3.54Å; L406-N409 PolarHBondContact O-N 2.79Å; L406-H412 HydrophobicContact CB-CB 4.39Å; L406-H412 HydrophobicContact CD1-CB 3.47Å; L406-H412 VanDerWaalsContact CD1-CB 3.47Å; L406-H412 PolarHBondContact N-O 3.47Å; L406-V414 HydrophobicContact CD1-CG2 4.3Å; L406-V414 HydrophobicContact CD2-CG2 4.4Å; L406-V414 HydrophobicContact CG-CG2 4.08Å; L406-I424 HydrophobicContact CD1-CD1 4.36Å; L406-I424 HydrophobicContact CD1-CG1 4.43Å; L406-I424 HydrophobicContact CD1-CG2 3.68Å; L406-L450 HydrophobicContact CD2-CD1 4.14Å; L406-L450 HydrophobicContact CD2-CD2 4.09Å; L406-L450 HydrophobicContact CG-CD1 4.35Å
407P77.5Confident81.9Confident76 Ų7637.5 Ų37.549%0.49420%0.198SC..SBendtrans-60.3-36.4-179.3-26.834.6000114.3L405 P452L405-P407 WeakPolarHBondContact O-CD 3.47Å; P407-P452 WeakPolarHBondContact CB-O 3.4Å; P407-P452 WeakPolarHBondContact CG-O 3.4Å
408K75.3Confident82.8Confident122 Ų12237.6 Ų37.653%0.5319%0.189SC..SBendtrans-74.9-38-179.1-79.1176.9177.8169.30112.9L406 R453 E455L406-K408 VanDerWaalsContact C-N 3.31Å; L406-K408 PolarHBondContact O-N 2.84Å; K408-R453 WeakPolarHBondContact CD-O 3.24Å; K408-R453 WeakPolarHBondContact CE-O 3.28Å; K408-R453 VanDerWaalsContact CG-O 3.31Å; K408-R453 WeakPolarHBondContact CG-O 3.33Å; K408-E455 VanDerWaalsContact NZ-CG 3.34Å; K408-E455 IonicContact NZ-OE1 2.74Å; K408-E455 PolarHBondContact NZ-OE1 3.29Å
409N80.4Confident83.1Confident83 Ų8336.9 Ų36.944%0.44419%0.186SC..  trans-130.2105.5-173.2-71.6-14000110.2L406 E411 H412L406-N409 CarbonylContact O-C 3.54Å; L406-N409 PolarHBondContact O-N 2.79Å; N409-E411 PolarHBondContact O-N 2.89Å; N409-H412 HydrophobicContact CB-CB 4.38Å; N409-H412 PolarHBondContact O-N 2.97Å
410P77Confident83.2Confident50 Ų5037.1 Ų37.133%0.32519%0.187SC..THydrogen-bonded Turntrans-66.9-18.4-178.629.6-36.5000113.2P359 H412P359-P410 HydrophobicContact CB-CB 4.26Å; P359-P410 HydrophobicContact CG-CB 3.75Å; P410-H412 VanDerWaalsContact C-N 3.27Å; P410-H412 PolarHBondContact O-N 3.42Å
411E81.9Confident83.3Confident83 Ų8338.8 Ų38.839%0.38820%0.197SC..THydrogen-bonded Turntrans-75.5-13.2175.6-65.4-63.4134.700112.9N409 N426 M427N409-E411 PolarHBondContact O-N 2.89Å; E411-N426 CarbonylContact O-C 3.49Å; E411-N426 WeakPolarHBondContact O-CA 3.42Å; E411-N426 PolarHBondContact O-OD1 2.93Å; E411-M427 WeakPolarHBondContact O-CG 3.34Å; E411-M427 PolarHBondContact O-N 2.81Å
412H88.3Confident83.5Confident38 Ų3837.4 Ų37.418%0.17619%0.189CC..EExtended strand (participates in β ladder)trans-115.3140.9-178.1-58.2-24.1000111.4L406 N409 P410 I424 M425 N426L406-H412 HydrophobicContact CB-CB 4.39Å; L406-H412 HydrophobicContact CD1-CB 3.47Å; L406-H412 VanDerWaalsContact CD1-CB 3.47Å; L406-H412 PolarHBondContact N-O 3.47Å; N409-H412 HydrophobicContact CB-CB 4.38Å; N409-H412 PolarHBondContact O-N 2.97Å; P410-H412 VanDerWaalsContact C-N 3.27Å; P410-H412 PolarHBondContact O-N 3.42Å; H412-I424 HydrophobicContact CB-CG2 4.15Å; H412-M425 WeakPolarHBondContact CA-O 3.44Å; H412-N426 VanDerWaalsContact CE1-CG 3.48Å; H412-N426 PolarHBondContact CE1-OD1 3.15Å; H412-N426 PolarHBondContact ND1-OD1 3.34Å; H412-N426 VanDerWaalsContact ND1-OD1 3.12Å
413F89Confident83.8Confident0 Ų036.2 Ų36.20%018%0.183CC..EExtended strand (participates in β ladder)trans-134.8147.2175.758.7-86000110.5I365 V373 F387 V403 I404 L405 V415 I424 M425 N426 M427I365-F413 HydrophobicContact CD1-CB 4.33Å; I365-F413 HydrophobicContact CD1-CD1 3.96Å; I365-F413 HydrophobicContact CD1-CG 4.15Å; V373-F413 HydrophobicContact CG1-CE2 3.99Å; F387-F413 HydrophobicContact CD2-CE2 4.5Å; F387-F413 AromaticContact CD2-CZ 3.73Å; F387-F413 HydrophobicContact CD2-CZ 3.73Å; F387-F413 HydrophobicContact CE2-CE1 4.17Å; F387-F413 AromaticContact CE2-CZ 3.73Å; F387-F413 HydrophobicContact CE2-CZ 3.73Å; V403-F413 HydrophobicContact CG1-CB 4.43Å; V403-F413 HydrophobicContact CG1-CD2 4.05Å; I404-F413 CarbonylContact O-C 3.58Å; I404-F413 WeakPolarHBondContact O-CA 3.26Å; L405-F413 HydrophobicContact CD2-CB 4.18Å; F413-V415 HydrophobicContact CD2-CG2 3.48Å; F413-V415 VanDerWaalsContact CD2-CG2 3.48Å; F413-V415 HydrophobicContact CE2-CG2 3.38Å; F413-I424 WeakPolarHBondContact O-CA 3.31Å; F413-M425 HydrophobicContact CD2-CB 4.36Å; F413-M425 HydrophobicContact CE1-CB 4.21Å; F413-M425 HydrophobicContact CE2-CB 3.78Å; F413-M425 HydrophobicContact CE2-SD 4.4Å; F413-M425 HydrophobicContact CZ-CB 3.68Å; F413-M425 PolarHBondContact N-O 3.14Å; F413-M425 PolarHBondContact O-N 2.95Å; F413-N426 WeakPolarHBondContact CE1-O 3.46Å; F413-M427 HydrophobicContact CD1-SD 4.05Å; F413-M427 HydrophobicContact CE1-SD 4.05Å
414V88.7Confident84Confident1 Ų136.7 Ų36.71%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-92.6128.4175.8-172.90000108V403 I404 L406 V422 V423 I424 L450 I457V403-V414 VanDerWaalsContact CA-O 3.32Å; V403-V414 WeakPolarHBondContact CA-O 3.4Å; I404-V414 PolarHBondContact N-O 3.32Å; I404-V414 PolarHBondContact O-N 2.95Å; L406-V414 HydrophobicContact CD1-CG2 4.3Å; L406-V414 HydrophobicContact CD2-CG2 4.4Å; L406-V414 HydrophobicContact CG-CG2 4.08Å; V414-V422 HydrophobicContact CG1-CG1 3.34Å; V414-V423 CarbonylContact C-O 3.54Å; V414-V423 WeakPolarHBondContact CA-O 3.47Å; V414-I424 HydrophobicContact CG2-CG1 4.14Å; V414-L450 HydrophobicContact CG2-CD1 3.97Å; V414-L450 HydrophobicContact CG2-CD2 4.05Å; V414-L450 HydrophobicContact CG2-CG 4.37Å; V414-I457 HydrophobicContact CG1-CD1 4.39Å; V414-I457 HydrophobicContact CG2-CD1 4.36Å
415V87.3Confident84.1Confident1 Ų135.2 Ų35.21%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-111.7122.6175.4-174.10000107.8V373 V400 V403 F413 V423 M425V373-V415 HydrophobicContact CG2-CG1 3.9Å; V373-V415 HydrophobicContact CG2-CG2 4.2Å; V400-V415 HydrophobicContact CG1-CG1 3.45Å; V400-V415 VanDerWaalsContact CG1-CG1 3.45Å; V400-V415 HydrophobicContact CG2-CG1 4.5Å; V403-V415 HydrophobicContact CG2-CG1 4.37Å; V403-V415 HydrophobicContact CG2-CG2 4.29Å; F413-V415 HydrophobicContact CD2-CG2 3.48Å; F413-V415 VanDerWaalsContact CD2-CG2 3.48Å; F413-V415 HydrophobicContact CE2-CG2 3.38Å; V415-V423 PolarHBondContact N-O 3.27Å; V415-V423 PolarHBondContact O-N 3.5Å; V415-M425 HydrophobicContact CB-CE 4.25Å; V415-M425 HydrophobicContact CG2-CE 4.12Å; V415-M425 HydrophobicContact CG2-CG 4.27Å; V415-M425 HydrophobicContact CG2-SD 3.99Å
416C86.2Confident84.3Confident0 Ų035.4 Ų35.40%018%0.179CC..EExtended strand (participates in β ladder)trans-105.8112.9170.4-174.70000108.3N401 N402 V422 F445 C448N401-C416 PolarHBondContact N-O 3.14Å; N402-C416 HydrophobicContact CB-CB 4.15Å; N402-C416 PolarHBondContact N-O 2.64Å; N402-C416 VanDerWaalsContact N-O 3.17Å; N402-C416 PolarHBondContact O-N 3.25Å; C416-V422 HydrophobicContact CB-CG2 4.41Å; C416-F445 WeakPolarHBondContact SG-CB 3.2Å; C416-C448 HydrophobicContact CB-CB 3.99Å; C416-C448 WeakPolarHBondContact CB-SG 3.31Å
417N83.6Confident84.3Confident1 Ų135.6 Ų35.61%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-96.4161.3171.550.5-18.4000109.9I398 T399 S419 T421I398-N417 HydrophobicContact CG2-CB 3.91Å; T399-N417 CarbonylContact O-C 3.59Å; T399-N417 WeakPolarHBondContact O-CA 3.2Å; N417-S419 PolarHBondContact ND2-OG 2.77Å; N417-S419 PolarHBondContact O-N 2.54Å; N417-S419 PolarHBondContact OD1-OG 3.3Å; N417-S419 VanDerWaalsContact OD1-OG 3.05Å; N417-T421 PolarHBondContact OD1-O 3.38Å; N417-T421 PolarHBondContact OD1-OG1 2.78Å
418R80.8Confident84.5Confident129 Ų12937.2 Ų37.249%0.48718%0.181SC..SBendtrans-73.265.7169.5-167.2179.6-173167.92.7109.7I398 T399 D444 E462I398-R418 VanDerWaalsContact CG2-O 3.31Å; I398-R418 WeakPolarHBondContact CG2-O 3.38Å; T399-R418 PolarHBondContact O-N 3.47Å; T399-R418 WeakPolarHBondContact OG1-CB 3.24Å; R418-D444 HydrophobicContact CG-CB 4.16Å; R418-E462 IonicContact CZ-OE1 2.66Å; R418-E462 IonicContact NE-OE1 3.47Å; R418-E462 PolarHBondContact NE-OE1 3.2Å; R418-E462 VanDerWaalsContact NE-OE1 3.11Å; R418-E462 IonicContact NH2-OE1 3.77Å; R418-E462 PolarHBondContact NH2-OE1 3.15Å
419S82.1Confident84.6Confident12 Ų1232.7 Ų32.78%0.08417%0.168CC..SBendtrans-146.5172.7171.971.90000108.5N417 T421 D444 F445N417-S419 PolarHBondContact ND2-OG 2.77Å; N417-S419 PolarHBondContact O-N 2.54Å; N417-S419 PolarHBondContact OD1-OG 3.3Å; N417-S419 VanDerWaalsContact OD1-OG 3.05Å; S419-T421 PolarHBondContact O-N 2.91Å; S419-T421 PolarHBondContact OG-N 3.09Å; S419-T421 PolarHBondContact OG-OG1 3.16Å; S419-D444 VanDerWaalsContact CA-OD1 3.3Å; S419-D444 WeakPolarHBondContact CA-OD1 3.39Å; S419-F445 VanDerWaalsContact O-CD2 3.23Å; S419-F445 WeakPolarHBondContact O-CD2 3.49Å; S419-F445 PolarHBondContact O-N 2.92Å
420N81.8Confident84.8Confident44 Ų4435.2 Ų35.224%0.23518%0.177CC..SBendtrans-7315.4173.968.5-11000114.4S436 S437 K439 G443 D444 F445N420-S436 VanDerWaalsContact O-CA 3.26Å; N420-S436 WeakPolarHBondContact O-CA 3.33Å; N420-S436 PolarHBondContact O-OG 3.42Å; N420-S437 PolarHBondContact O-N 2.83Å; N420-S437 VanDerWaalsContact O-N 3.09Å; N420-K439 PolarHBondContact ND2-O 3.16Å; N420-G443 WeakPolarHBondContact CA-O 3.35Å; N420-D444 PolarHBondContact N-OD1 2.78Å; N420-F445 WeakPolarHBondContact O-CE2 3.43Å
421T84.4Confident85.2Confident35 Ų3536 Ų3622%0.21518%0.179CC..EExtended strand (participates in β ladder)trans-125.5145.4-178.558.50000112.2N417 S419 F435N417-T421 PolarHBondContact OD1-O 3.38Å; N417-T421 PolarHBondContact OD1-OG1 2.78Å; S419-T421 PolarHBondContact O-N 2.91Å; S419-T421 PolarHBondContact OG-N 3.09Å; S419-T421 PolarHBondContact OG-OG1 3.16Å; T421-F435 CarbonylContact C-O 3.56Å; T421-F435 WeakPolarHBondContact CA-O 3.23Å
422V87.6Confident85.4Confident0 Ų036 Ų360%018%0.184CC..EExtended strand (participates in β ladder)trans-122.1140.9165.3173.50000108.5V414 C416 S434 F435 F445 I457 C459V414-V422 HydrophobicContact CG1-CG1 3.34Å; C416-V422 HydrophobicContact CB-CG2 4.41Å; V422-S434 CarbonylContact O-C 3.59Å; V422-S434 WeakPolarHBondContact O-CA 3.23Å; V422-F435 PolarHBondContact N-O 2.75Å; V422-F435 WeakPolarHBondContact O-CD2 3.45Å; V422-F435 PolarHBondContact O-N 2.93Å; V422-F445 HydrophobicContact CG2-CD2 3.4Å; V422-F445 VanDerWaalsContact CG2-CD2 3.4Å; V422-F445 HydrophobicContact CG2-CE2 3.71Å; V422-F445 HydrophobicContact CG2-CG 4.09Å; V422-I457 HydrophobicContact CG1-CG2 4.4Å; V422-C459 HydrophobicContact CG2-CB 4.49Å; V422-C459 WeakPolarHBondContact CG2-SG 3.45Å
423V88.7Confident85.2Confident7 Ų738.7 Ų38.74%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-127.6134.3-169.9-168.30000110.6V414 V415 M425 I431 R433V414-V423 CarbonylContact C-O 3.54Å; V414-V423 WeakPolarHBondContact CA-O 3.47Å; V415-V423 PolarHBondContact N-O 3.27Å; V415-V423 PolarHBondContact O-N 3.5Å; V423-M425 HydrophobicContact CB-CE 4.04Å; V423-M425 HydrophobicContact CG1-CE 3.91Å; V423-M425 HydrophobicContact CG1-CG 4.03Å; V423-I431 HydrophobicContact CG1-CB 4Å; V423-I431 HydrophobicContact CG1-CD1 4Å; V423-I431 HydrophobicContact CG1-CG1 3.69Å; V423-I431 HydrophobicContact CG1-CG2 3.27Å; V423-R433 WeakPolarHBondContact CA-O 3.45Å
424I88.9Confident85.1Confident12 Ų1242.5 Ų42.56%0.06222%0.219CC..EExtended strand (participates in β ladder)trans-92.8121166.9-62.4171.2000107.7L406 H412 F413 V414 V432 R433 F435 I457L406-I424 HydrophobicContact CD1-CD1 4.36Å; L406-I424 HydrophobicContact CD1-CG1 4.43Å; L406-I424 HydrophobicContact CD1-CG2 3.68Å; H412-I424 HydrophobicContact CB-CG2 4.15Å; F413-I424 WeakPolarHBondContact O-CA 3.31Å; V414-I424 HydrophobicContact CG2-CG1 4.14Å; I424-V432 HydrophobicContact CG2-CB 4.22Å; I424-V432 PolarHBondContact O-N 2.54Å; I424-R433 HydrophobicContact CD1-CB 4.45Å; I424-R433 PolarHBondContact N-O 3.49Å; I424-R433 PolarHBondContact O-N 3.19Å; I424-F435 HydrophobicContact CD1-CE2 3.55Å; I424-F435 HydrophobicContact CD1-CZ 3.9Å; I424-F435 HydrophobicContact CG1-CE2 3.84Å; I424-I457 HydrophobicContact CD1-CD1 4.07Å; I424-I457 HydrophobicContact CG1-CD1 4.28Å
425M88Confident85Confident3 Ų342.6 Ų42.62%0.01522%0.219CC..EExtended strand (participates in β ladder)trans-115.4152.5177.2-62.6-172.7-163.600111H412 F413 V415 V423 Q430 I431H412-M425 WeakPolarHBondContact CA-O 3.44Å; F413-M425 HydrophobicContact CD2-CB 4.36Å; F413-M425 HydrophobicContact CE1-CB 4.21Å; F413-M425 HydrophobicContact CE2-CB 3.78Å; F413-M425 HydrophobicContact CE2-SD 4.4Å; F413-M425 HydrophobicContact CZ-CB 3.68Å; F413-M425 PolarHBondContact N-O 3.14Å; F413-M425 PolarHBondContact O-N 2.95Å; V415-M425 HydrophobicContact CB-CE 4.25Å; V415-M425 HydrophobicContact CG2-CE 4.12Å; V415-M425 HydrophobicContact CG2-CG 4.27Å; V415-M425 HydrophobicContact CG2-SD 3.99Å; V423-M425 HydrophobicContact CB-CE 4.04Å; V423-M425 HydrophobicContact CG1-CE 3.91Å; V423-M425 HydrophobicContact CG1-CG 4.03Å; M425-Q430 CarbonylContact C-O 3.57Å; M425-Q430 VanDerWaalsContact CA-O 3.31Å; M425-Q430 WeakPolarHBondContact CA-O 3.3Å; M425-I431 HydrophobicContact CE-CD1 4.32Å; M425-I431 HydrophobicContact CE-CG1 4.17Å; M425-I431 HydrophobicContact CG-CG1 3.98Å; M425-I431 HydrophobicContact SD-CG1 4.41Å
426N88.3Confident84.9Confident28 Ų2845 Ų4515%0.1524%0.237CC..EExtended strand (participates in β ladder)trans-91.3163.3171.5-158.7-1.6000110.9E411 H412 F413 Q428 G429 Q430 V432E411-N426 CarbonylContact O-C 3.49Å; E411-N426 WeakPolarHBondContact O-CA 3.42Å; E411-N426 PolarHBondContact O-OD1 2.93Å; H412-N426 VanDerWaalsContact CE1-CG 3.48Å; H412-N426 PolarHBondContact CE1-OD1 3.15Å; H412-N426 PolarHBondContact ND1-OD1 3.34Å; H412-N426 VanDerWaalsContact ND1-OD1 3.12Å; F413-N426 WeakPolarHBondContact CE1-O 3.46Å; N426-Q428 PolarHBondContact ND2-OE1 2.96Å; N426-Q428 PolarHBondContact O-N 2.74Å; N426-Q428 PolarHBondContact OD1-OE1 2.83Å; N426-G429 PolarHBondContact O-N 3.49Å; N426-Q430 PolarHBondContact N-O 3.04Å; N426-V432 HydrophobicContact CB-CG2 4.24Å
427M83.8Confident84.6Confident22 Ų2245.8 Ų45.811%0.10824%0.242CC..THydrogen-bonded Turntrans-61.9-12.2176.6-73.2-63.6-7800114.3T358 I365 V375 N385 F387 E411 F413T358-M427 HydrophobicContact CG2-CE 4.11Å; I365-M427 HydrophobicContact CD1-CE 4.45Å; I365-M427 HydrophobicContact CD1-SD 3.69Å; I365-M427 HydrophobicContact CG1-SD 4.46Å; V375-M427 HydrophobicContact CG1-CE 3.8Å; V375-M427 HydrophobicContact CG2-CE 4.31Å; N385-M427 PolarHBondContact ND2-O 2.85Å; F387-M427 VanDerWaalsContact CZ-O 3.28Å; F387-M427 WeakPolarHBondContact CZ-O 3.31Å; E411-M427 WeakPolarHBondContact O-CG 3.34Å; E411-M427 PolarHBondContact O-N 2.81Å; F413-M427 HydrophobicContact CD1-SD 4.05Å; F413-M427 HydrophobicContact CE1-SD 4.05Å
428Q82Confident84Confident111 Ų11148.8 Ų48.852%0.51927%0.273SS..THydrogen-bonded Turntrans-92.51.3171.1-55.777.420.600113.2N426N426-Q428 PolarHBondContact ND2-OE1 2.96Å; N426-Q428 PolarHBondContact O-N 2.74Å; N426-Q428 PolarHBondContact OD1-OE1 2.83Å
429G77.7Confident83.7Confident26 Ų2646.8 Ų46.827%0.26827%0.268SS..SBendtrans86.15.4176.200000115.6F387 N426F387-G429 VanDerWaalsContact CE1-N 3.27Å; N426-G429 PolarHBondContact O-N 3.49Å
430Q84.2Confident82.6Confident136 Ų13658 Ų5864%0.63631%0.308SS*.  trans-80.2138.3176.1-66.9178.6-10.200110.7M425 N426 V432M425-Q430 CarbonylContact C-O 3.57Å; M425-Q430 VanDerWaalsContact CA-O 3.31Å; M425-Q430 WeakPolarHBondContact CA-O 3.3Å; N426-Q430 PolarHBondContact N-O 3.04Å; Q430-V432 PolarHBondContact O-N 2.96Å
431I85.5Confident81.7Confident68 Ų6864.4 Ų64.435%0.34934%0.337SS..EExtended strand (participates in β ladder)trans-83.4113.7176.6-66170.4000108.5L390 V423 M425L390-I431 HydrophobicContact CD1-CD1 3.14Å; L390-I431 HydrophobicContact CG-CD1 3.58Å; V423-I431 HydrophobicContact CG1-CB 4Å; V423-I431 HydrophobicContact CG1-CD1 4Å; V423-I431 HydrophobicContact CG1-CG1 3.69Å; V423-I431 HydrophobicContact CG1-CG2 3.27Å; M425-I431 HydrophobicContact CE-CD1 4.32Å; M425-I431 HydrophobicContact CE-CG1 4.17Å; M425-I431 HydrophobicContact CG-CG1 3.98Å; M425-I431 HydrophobicContact SD-CG1 4.41Å
432V85.8Confident80.8Confident82 Ų8264.8 Ų64.850%0.49735%0.348SS..EExtended strand (participates in β ladder)trans-80.9-41.4179.3-178.20000110.2I424 N426 Q430I424-V432 HydrophobicContact CG2-CB 4.22Å; I424-V432 PolarHBondContact O-N 2.54Å; N426-V432 HydrophobicContact CB-CG2 4.24Å; Q430-V432 PolarHBondContact O-N 2.96Å
433R85.4Confident79.8Confident94 Ų9464.9 Ų64.936%0.35535%0.349SS..EExtended strand (participates in β ladder)trans-155.8145.3-178.2-167.2170.5-70.5-151.80.3111.1V423 I424 F435 T471 V472 G474V423-R433 WeakPolarHBondContact CA-O 3.45Å; I424-R433 HydrophobicContact CD1-CB 4.45Å; I424-R433 PolarHBondContact N-O 3.49Å; I424-R433 PolarHBondContact O-N 3.19Å; R433-F435 HydrophobicContact CB-CE2 4.23Å; R433-F435 HydrophobicContact CB-CZ 4.48Å; R433-F435 VanDerWaalsContact CD-CZ 3.44Å; R433-F435 HydrophobicContact CG-CE1 4.46Å; R433-F435 HydrophobicContact CG-CE2 3.94Å; R433-F435 HydrophobicContact CG-CZ 3.88Å; R433-T471 PolarHBondContact NH1-O 2.69Å; R433-V472 PolarHBondContact NH1-O 2.82Å; R433-G474 VanDerWaalsContact NH1-CA 3.26Å
434S87.3Confident79.5Confident80 Ų8067 Ų6756%0.55936%0.36SS*.EExtended strand (participates in β ladder)trans-120.4138172.458.20000110.5V422V422-S434 CarbonylContact O-C 3.59Å; V422-S434 WeakPolarHBondContact O-CA 3.23Å
435F86.7Confident79.3Confident3 Ų366.4 Ų66.41%0.01336%0.357CS..EExtended strand (participates in β ladder)trans-115.3138.9175.6-56.4-93.2000107.6T421 V422 I424 R433 I457 F469 S470T421-F435 CarbonylContact C-O 3.56Å; T421-F435 WeakPolarHBondContact CA-O 3.23Å; V422-F435 PolarHBondContact N-O 2.75Å; V422-F435 WeakPolarHBondContact O-CD2 3.45Å; V422-F435 PolarHBondContact O-N 2.93Å; I424-F435 HydrophobicContact CD1-CE2 3.55Å; I424-F435 HydrophobicContact CD1-CZ 3.9Å; I424-F435 HydrophobicContact CG1-CE2 3.84Å; R433-F435 HydrophobicContact CB-CE2 4.23Å; R433-F435 HydrophobicContact CB-CZ 4.48Å; R433-F435 VanDerWaalsContact CD-CZ 3.44Å; R433-F435 HydrophobicContact CG-CE1 4.46Å; R433-F435 HydrophobicContact CG-CE2 3.94Å; R433-F435 HydrophobicContact CG-CZ 3.88Å; F435-I457 HydrophobicContact CD2-CD1 4.11Å; F435-I457 HydrophobicContact CE2-CD1 3.65Å; F435-I457 HydrophobicContact CZ-CD1 3.9Å; F435-F469 HydrophobicContact CB-CD1 3.91Å; F435-F469 HydrophobicContact CB-CD2 4.36Å; F435-F469 HydrophobicContact CB-CE1 4.02Å; F435-F469 HydrophobicContact CB-CE2 4.47Å; F435-F469 HydrophobicContact CB-CG 4.08Å; F435-F469 HydrophobicContact CB-CZ 4.31Å; F435-F469 HydrophobicContact CD1-CB 3.75Å; F435-F469 AromaticContact CD1-CD1 3.93Å; F435-F469 HydrophobicContact CD1-CD1 3.93Å; F435-F469 AromaticContact CD1-CG 3.98Å; F435-F469 HydrophobicContact CD1-CG 3.98Å; F435-F469 HydrophobicContact CE1-CB 4.16Å; F435-F469 HydrophobicContact CG-CB 4.37Å; F435-F469 HydrophobicContact CG-CD1 4.34Å; F435-F469 HydrophobicContact CG-CG 4.28Å; F435-S470 WeakPolarHBondContact CE1-O 3.48Å
436S85.3Confident79.1Confident53 Ų5368.4 Ų68.437%0.37137%0.369SS..EExtended strand (participates in β ladder)trans-132.9143.6176.3-177.40000110.4N420 G438N420-S436 VanDerWaalsContact O-CA 3.26Å; N420-S436 WeakPolarHBondContact O-CA 3.33Å; N420-S436 PolarHBondContact O-OG 3.42Å; S436-G438 PolarHBondContact O-N 3.27Å; S436-G438 PolarHBondContact OG-N 3Å; S436-G438 VanDerWaalsContact OG-N 3.16Å
437S78.1Confident78.9Confident15 Ų1567.4 Ų67.411%0.10536%0.364CS..  trans-69.3-17.2170.260.90000112.5N420 K439N420-S437 PolarHBondContact O-N 2.83Å; N420-S437 VanDerWaalsContact O-N 3.09Å; S437-K439 PolarHBondContact O-N 3.14Å
438G71.1Confident79.1Confident64 Ų6466.7 Ų66.766%0.6636%0.361SS*.  trans75-0.3-177.500000114.6S436S436-G438 PolarHBondContact O-N 3.27Å; S436-G438 PolarHBondContact OG-N 3Å; S436-G438 VanDerWaalsContact OG-N 3.16Å
439K74.6Confident79.4Confident88 Ų8862.4 Ų62.438%0.38334%0.343SS..  trans-85.3137.5175.7-66.2-170.4179.1-179.40110.7N420 S437 D463 Y467N420-K439 PolarHBondContact ND2-O 3.16Å; S437-K439 PolarHBondContact O-N 3.14Å; K439-D463 IonicContact NZ-OD2 2.78Å; K439-D463 PolarHBondContact NZ-OD2 2.84Å; K439-Y467 WeakPolarHBondContact CD-OH 3.41Å; K439-Y467 WeakPolarHBondContact CE-OH 3.2Å; K439-Y467 PolarHBondContact NZ-OH 2.6Å
440R60.6Low79.9Confident246 Ų24661.9 Ų61.993%0.92833%0.334SS*.SBendtrans-88.7-26.5-178.1-68.7-173.6-168.2-1673.2114.2
441E62.8Low80Confident179 Ų17955.5 Ų55.584%0.83630%0.304SS*.SBendtrans-138.2142.1179.3-69.9-178.3169.300109.7G443E441-G443 VanDerWaalsContact C-N 3.29Å; E441-G443 PolarHBondContact O-N 3.03Å
442G64.2Low79.7Confident44 Ų4454.4 Ų54.445%0.45430%0.302SS..SBendtrans67.620.317700000115.5D463G442-D463 WeakPolarHBondContact O-CB 3.39Å
443G67.8Low79.4Confident2 Ų254.8 Ų54.82%0.02129%0.294CS..  trans-112.218.9-177.200000114.2N420 E441N420-G443 WeakPolarHBondContact CA-O 3.35Å; E441-G443 VanDerWaalsContact C-N 3.29Å; E441-G443 PolarHBondContact O-N 3.03Å
444D82Confident79.1Confident51 Ų5150.5 Ų50.527%0.27328%0.279SS..  trans-72.9135.5-174.9-68.7-15.1000110.9R418 S419 N420 G461 E462R418-D444 HydrophobicContact CG-CB 4.16Å; S419-D444 VanDerWaalsContact CA-OD1 3.3Å; S419-D444 WeakPolarHBondContact CA-OD1 3.39Å; N420-D444 PolarHBondContact N-OD1 2.78Å; D444-G461 CarbonylContact O-C 3.6Å; D444-G461 VanDerWaalsContact O-CA 3.23Å; D444-G461 WeakPolarHBondContact O-CA 3.2Å; D444-E462 HydrophobicContact CB-CG 4.47Å; D444-E462 PolarHBondContact O-N 3.5Å
445F85Confident79Confident0 Ų049.4 Ų49.40%027%0.265CS..EExtended strand (participates in β ladder)trans-80.5128.4-178.8-62-55.8000111.6N401 C416 S419 N420 V422 C459 V460 Y467 F469N401-F445 PolarHBondContact ND2-O 2.84Å; C416-F445 WeakPolarHBondContact SG-CB 3.2Å; S419-F445 VanDerWaalsContact O-CD2 3.23Å; S419-F445 WeakPolarHBondContact O-CD2 3.49Å; S419-F445 PolarHBondContact O-N 2.92Å; N420-F445 WeakPolarHBondContact O-CE2 3.43Å; V422-F445 HydrophobicContact CG2-CD2 3.4Å; V422-F445 VanDerWaalsContact CG2-CD2 3.4Å; V422-F445 HydrophobicContact CG2-CE2 3.71Å; V422-F445 HydrophobicContact CG2-CG 4.09Å; F445-C459 HydrophobicContact CD1-CB 3.62Å; F445-C459 HydrophobicContact CE1-CB 3.73Å; F445-C459 HydrophobicContact CG-CB 4.12Å; F445-C459 HydrophobicContact CZ-CB 4.3Å; F445-V460 WeakPolarHBondContact CA-O 3.08Å; F445-Y467 HydrophobicContact CD1-CD2 4.4Å; F445-Y467 AromaticContact CE1-CD2 3.63Å; F445-Y467 HydrophobicContact CE1-CD2 3.63Å; F445-Y467 HydrophobicContact CE1-CE2 4.11Å; F445-Y467 AromaticContact CE1-CG 3.93Å; F445-Y467 HydrophobicContact CE1-CG 3.93Å; F445-F469 HydrophobicContact CE1-CE2 4.42Å; F445-F469 AromaticContact CZ-CE2 3.86Å; F445-F469 HydrophobicContact CZ-CE2 3.86Å; F445-F469 AromaticContact CZ-CZ 3.9Å; F445-F469 HydrophobicContact CZ-CZ 3.9Å
446V82.5Confident79.1Confident45 Ų4550.5 Ų50.527%0.27327%0.269SS..EExtended strand (participates in β ladder)trans-86-51.2176.6-178.50000109.6N401 N402 V460 E462N401-V446 WeakPolarHBondContact CB-O 3.46Å; N401-V446 PolarHBondContact ND2-O 2.91Å; N402-V446 PolarHBondContact ND2-O 2.95Å; V446-V460 PolarHBondContact N-O 3.15Å; V446-E462 HydrophobicContact CG2-CG 3.73Å
447C84.5Confident79.3Confident7 Ų748 Ų485%0.04725%0.252CS..EExtended strand (participates in β ladder)trans-141.2157.7-176.862.30000112.5N402 C459 V460 G489N402-C447 WeakPolarHBondContact ND2-CA 3.4Å; C447-C459 WeakPolarHBondContact O-CA 3.36Å; C447-V460 PolarHBondContact O-N 2.91Å; C447-G489 VanDerWaalsContact SG-CA 3.6Å
448C87.9Confident79.9Confident6 Ų647.4 Ų47.44%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-133.7159.6173.869.50000111.2I404 C416 Y458I404-C448 WeakPolarHBondContact CD1-O 3.34Å; I404-C448 VanDerWaalsContact CD1-SG 3.51Å; C416-C448 HydrophobicContact CB-CB 3.99Å; C416-C448 WeakPolarHBondContact CB-SG 3.31Å; C448-Y458 CarbonylContact C-O 3.52Å; C448-Y458 WeakPolarHBondContact CA-O 3.38Å
449T88.1Confident80.8Confident22 Ų2244.3 Ų44.314%0.13522%0.216CC..EExtended strand (participates in β ladder)trans-150.8163.2168.6-159.50000109.9Y458 I490 H492T449-Y458 HydrophobicContact CG2-CD2 4.06Å; T449-Y458 PolarHBondContact N-O 2.85Å; T449-Y458 PolarHBondContact O-N 2.83Å; T449-I490 HydrophobicContact CG2-CB 4.47Å; T449-I490 HydrophobicContact CG2-CD1 3.54Å; T449-I490 HydrophobicContact CG2-CG1 3.67Å; T449-H492 HydrophobicContact CG2-CB 4.11Å
450L88.6Confident81.4Confident15 Ų1540.1 Ų40.18%0.07920%0.197CC..EExtended strand (participates in β ladder)trans-113.1149.8-177.4-75.3168.5000110.3I404 L405 L406 V414 I457I404-L450 HydrophobicContact CB-CD1 4.17Å; I404-L450 HydrophobicContact CG2-CD1 3.59Å; I404-L450 HydrophobicContact CG2-CG 4.22Å; L405-L450 WeakPolarHBondContact O-CD1 3.49Å; L406-L450 HydrophobicContact CD2-CD1 4.14Å; L406-L450 HydrophobicContact CD2-CD2 4.09Å; L406-L450 HydrophobicContact CG-CD1 4.35Å; V414-L450 HydrophobicContact CG2-CD1 3.97Å; V414-L450 HydrophobicContact CG2-CD2 4.05Å; V414-L450 HydrophobicContact CG2-CG 4.37Å; L450-I457 HydrophobicContact CD2-CB 4.39Å; L450-I457 HydrophobicContact CD2-CD1 4.42Å; L450-I457 HydrophobicContact CD2-CG1 3.4Å
451S86.3Confident82.6Confident1 Ų128.5 Ų28.51%0.00715%0.154CC..  trans-66.2157.1163.867.80000111.1E199 R453 G454 E455 W456E199-S451 VanDerWaalsContact CD-OG 3.3Å; E199-S451 PolarHBondContact OE1-OG 3.3Å; E199-S451 WeakPolarHBondContact OE2-CB 3.14Å; E199-S451 PolarHBondContact OE2-OG 3.45Å; S451-R453 PolarHBondContact O-N 3.44Å; S451-R453 VanDerWaalsContact O-N 3.15Å; S451-G454 WeakPolarHBondContact O-CA 3.41Å; S451-G454 PolarHBondContact O-N 3.46Å; S451-G454 WeakPolarHBondContact OG-CA 3.24Å; S451-G454 PolarHBondContact OG-N 2.8Å; S451-E455 PolarHBondContact OG-N 2.74Å; S451-W456 PolarHBondContact N-O 2.88Å; S451-W456 PolarHBondContact OG-N 2.84Å
452P79Confident83.6Confident46 Ų4622.8 Ų22.830%0.29913%0.127SC..THydrogen-bonded Turntrans-56.6-32.5-175.9-29.437.2000114.4E199 P407 H492 H493 P494E199-P452 VanDerWaalsContact OE1-CD 3.24Å; E199-P452 WeakPolarHBondContact OE1-CD 3.32Å; P407-P452 WeakPolarHBondContact CB-O 3.4Å; P407-P452 WeakPolarHBondContact CG-O 3.4Å; P452-H492 WeakPolarHBondContact CD-CE1 3.44Å; P452-H492 WeakPolarHBondContact CD-ND1 3.42Å; P452-H493 WeakPolarHBondContact CG-O 3.49Å; P452-P494 WeakPolarHBondContact CB-O 3.32Å
453R79.3Confident84.6Confident90 Ų9022.2 Ų22.234%0.3411%0.114SC..THydrogen-bonded Turntrans-97.6-3.1175.1-53.5177.3-171.2166.216112.4E197 E199 K408 S451 E455E197-R453 PolarHBondContact O-NH2 2.99Å; E199-R453 HydrophobicContact CG-CB 4.5Å; E199-R453 HydrophobicContact CG-CG 4.35Å; E199-R453 WeakPolarHBondContact OE1-CA 3.35Å; E199-R453 WeakPolarHBondContact OE1-CB 3.42Å; E199-R453 VanDerWaalsContact OE1-CG 3.23Å; E199-R453 WeakPolarHBondContact OE1-CG 3.45Å; E199-R453 PolarHBondContact OE1-N 3.44Å; K408-R453 WeakPolarHBondContact CD-O 3.24Å; K408-R453 WeakPolarHBondContact CE-O 3.28Å; K408-R453 VanDerWaalsContact CG-O 3.31Å; K408-R453 WeakPolarHBondContact CG-O 3.33Å; S451-R453 PolarHBondContact O-N 3.44Å; S451-R453 VanDerWaalsContact O-N 3.15Å; R453-E455 VanDerWaalsContact C-N 3.33Å; R453-E455 HydrophobicContact CB-CG 4.3Å; R453-E455 PolarHBondContact O-N 3.38Å
454G80.2Confident85.5Confident4 Ų425.3 Ų25.34%0.04113%0.127CC..SBendtrans69.723.9178.200000114.6S451 W456 T471S451-G454 WeakPolarHBondContact O-CA 3.41Å; S451-G454 PolarHBondContact O-N 3.46Å; S451-G454 WeakPolarHBondContact OG-CA 3.24Å; S451-G454 PolarHBondContact OG-N 2.8Å; G454-W456 VanDerWaalsContact C-N 3.33Å; G454-T471 WeakPolarHBondContact O-CB 3.48Å; G454-T471 VanDerWaalsContact O-CG2 3.22Å; G454-T471 WeakPolarHBondContact O-CG2 3.46Å; G454-T471 PolarHBondContact O-OG1 2.67Å
455E84.4Confident85.8Confident56 Ų5623.6 Ų23.626%0.26212%0.118SC..SBendtrans-79.2-20.8174.4-58.3-174.7171.100112.4E199 K408 S451 R453 T471E199-E455 WeakPolarHBondContact OE2-CB 3.42Å; E199-E455 PolarHBondContact OE2-N 3.45Å; K408-E455 VanDerWaalsContact NZ-CG 3.34Å; K408-E455 IonicContact NZ-OE1 2.74Å; K408-E455 PolarHBondContact NZ-OE1 3.29Å; S451-E455 PolarHBondContact OG-N 2.74Å; R453-E455 VanDerWaalsContact C-N 3.33Å; R453-E455 HydrophobicContact CB-CG 4.3Å; R453-E455 PolarHBondContact O-N 3.38Å; E455-T471 VanDerWaalsContact CA-OG1 3.29Å; E455-T471 WeakPolarHBondContact CA-OG1 3.1Å; E455-T471 PolarHBondContact O-N 2.82Å; E455-T471 PolarHBondContact O-OG1 3.31Å; E455-T471 VanDerWaalsContact O-OG1 3.12Å
456W88.3Confident86Confident27 Ų2723.6 Ų23.610%0.10212%0.118CC..EExtended strand (participates in β ladder)trans-126.8138.4178.9-61.792.3000111.4E199 F201 S451 G454 Y458 F469 E477E199-W456 PolarHBondContact O-NE1 3.46Å; F201-W456 HydrophobicContact CB-CE3 4.39Å; F201-W456 HydrophobicContact CB-CH2 4.48Å; F201-W456 HydrophobicContact CB-CZ3 4.34Å; F201-W456 AromaticContact CD1-CH2 3.55Å; F201-W456 HydrophobicContact CD1-CH2 3.55Å; F201-W456 AromaticContact CD1-CZ2 3.76Å; F201-W456 HydrophobicContact CD1-CZ2 3.76Å; F201-W456 HydrophobicContact CD1-CZ3 4.14Å; F201-W456 HydrophobicContact CE1-CH2 4.25Å; F201-W456 HydrophobicContact CG-CH2 4.42Å; S451-W456 PolarHBondContact N-O 2.88Å; S451-W456 PolarHBondContact OG-N 2.84Å; G454-W456 VanDerWaalsContact C-N 3.33Å; W456-Y458 HydrophobicContact CB-CE1 4.01Å; W456-Y458 HydrophobicContact CB-CE2 3.92Å; W456-F469 CarbonylContact C-O 3.45Å; W456-F469 WeakPolarHBondContact CA-O 3.14Å; W456-E477 HydrophobicContact CH2-CB 3.98Å; W456-E477 HydrophobicContact CH2-CG 3.74Å; W456-E477 HydrophobicContact CZ3-CB 3.74Å; W456-E477 HydrophobicContact CZ3-CG 3.62Å
457I90.1Very high86.3Confident1 Ų121.6 Ų21.61%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-108126165.6-67.7160.7000107.1V414 V422 I424 F435 L450 C459 F469 T471V414-I457 HydrophobicContact CG1-CD1 4.39Å; V414-I457 HydrophobicContact CG2-CD1 4.36Å; V422-I457 HydrophobicContact CG1-CG2 4.4Å; I424-I457 HydrophobicContact CD1-CD1 4.07Å; I424-I457 HydrophobicContact CG1-CD1 4.28Å; F435-I457 HydrophobicContact CD2-CD1 4.11Å; F435-I457 HydrophobicContact CE2-CD1 3.65Å; F435-I457 HydrophobicContact CZ-CD1 3.9Å; L450-I457 HydrophobicContact CD2-CB 4.39Å; L450-I457 HydrophobicContact CD2-CD1 4.42Å; L450-I457 HydrophobicContact CD2-CG1 3.4Å; I457-C459 WeakPolarHBondContact CG2-SG 2.82Å; I457-F469 HydrophobicContact CB-CB 4.27Å; I457-F469 PolarHBondContact N-O 3.3Å; I457-F469 PolarHBondContact O-N 2.69Å; I457-T471 HydrophobicContact CD1-CG2 3.66Å; I457-T471 HydrophobicContact CG1-CG2 3.63Å
458Y90.6Very high86.6Confident1 Ų121.3 Ų21.30%0.00410%0.103CC..EExtended strand (participates in β ladder)trans-106.8127.6174.5-55.9-66.7000108.4R200 P202 C448 T449 W456 Y467 C468 I490 H492 I499R200-Y458 PolarHBondContact O-OH 3.25Å; P202-Y458 VanDerWaalsContact CD-CE1 3.49Å; P202-Y458 HydrophobicContact CG-CE1 4.39Å; C448-Y458 CarbonylContact C-O 3.52Å; C448-Y458 WeakPolarHBondContact CA-O 3.38Å; T449-Y458 HydrophobicContact CG2-CD2 4.06Å; T449-Y458 PolarHBondContact N-O 2.85Å; T449-Y458 PolarHBondContact O-N 2.83Å; W456-Y458 HydrophobicContact CB-CE1 4.01Å; W456-Y458 HydrophobicContact CB-CE2 3.92Å; Y458-Y467 WeakPolarHBondContact CA-O 3.46Å; Y458-C468 HydrophobicContact CD1-CB 4.15Å; Y458-C468 HydrophobicContact CE1-CB 4.19Å; Y458-I490 WeakPolarHBondContact O-CD1 3.5Å; Y458-H492 AromaticContact CE2-CD2 3.58Å; Y458-I499 HydrophobicContact CD1-CD1 3.84Å; Y458-I499 HydrophobicContact CD2-CD1 3.74Å; Y458-I499 HydrophobicContact CD2-CG1 4.43Å; Y458-I499 HydrophobicContact CE1-CD1 3.75Å; Y458-I499 HydrophobicContact CE2-CD1 3.63Å; Y458-I499 HydrophobicContact CE2-CG1 4.37Å; Y458-I499 HydrophobicContact CG-CD1 3.82Å
459C89.1Confident86.6Confident0 Ų021 Ų210%010%0.102CC..EExtended strand (participates in β ladder)trans-129.3141.2179.5-61.30000109.6V422 F445 C447 I457 L466 Y467 F469V422-C459 HydrophobicContact CG2-CB 4.49Å; V422-C459 WeakPolarHBondContact CG2-SG 3.45Å; F445-C459 HydrophobicContact CD1-CB 3.62Å; F445-C459 HydrophobicContact CE1-CB 3.73Å; F445-C459 HydrophobicContact CG-CB 4.12Å; F445-C459 HydrophobicContact CZ-CB 4.3Å; C447-C459 WeakPolarHBondContact O-CA 3.36Å; I457-C459 WeakPolarHBondContact CG2-SG 2.82Å; C459-L466 CarbonylContact O-C 3.6Å; C459-L466 WeakPolarHBondContact O-CA 3.01Å; C459-Y467 PolarHBondContact N-O 2.98Å; C459-Y467 PolarHBondContact O-N 3.41Å; C459-F469 HydrophobicContact CB-CE2 4.24Å
460V87.7Confident86.6Confident0 Ų020.5 Ų20.50%010%0.099CC..EExtended strand (participates in β ladder)trans-111.1131.3171.6-179.60000109.9F445 V446 C447 V465 L466 V487 I490F445-V460 WeakPolarHBondContact CA-O 3.08Å; V446-V460 PolarHBondContact N-O 3.15Å; C447-V460 PolarHBondContact O-N 2.91Å; V460-V465 WeakPolarHBondContact CA-O 3.29Å; V460-L466 HydrophobicContact CG2-CB 4.42Å; V460-L466 HydrophobicContact CG2-CD1 3.46Å; V460-L466 VanDerWaalsContact CG2-CD1 3.46Å; V460-V487 HydrophobicContact CB-CG1 4.37Å; V460-V487 HydrophobicContact CG1-CB 3.58Å; V460-V487 HydrophobicContact CG1-CG1 3.81Å; V460-V487 HydrophobicContact CG1-CG2 3.79Å; V460-V487 HydrophobicContact CG2-CG1 4.37Å; V460-I490 HydrophobicContact CB-CG2 4.35Å; V460-I490 HydrophobicContact CG2-CD1 4.31Å; V460-I490 HydrophobicContact CG2-CG2 3.31Å
461G85.3Confident86.4Confident1 Ų121 Ų211%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-92.3163.5175.100000113.2D444 D463 F464 V465D444-G461 CarbonylContact O-C 3.6Å; D444-G461 VanDerWaalsContact O-CA 3.23Å; D444-G461 WeakPolarHBondContact O-CA 3.2Å; G461-D463 WeakPolarHBondContact CA-OD1 3.22Å; G461-D463 PolarHBondContact O-N 3.01Å; G461-D463 VanDerWaalsContact O-N 3.13Å; G461-F464 PolarHBondContact O-N 3.22Å; G461-F464 VanDerWaalsContact O-N 3.17Å; G461-V465 PolarHBondContact N-O 2.9Å; G461-V465 VanDerWaalsContact N-O 3.09Å
462E84.9Confident86.2Confident60 Ų6025.8 Ų25.828%0.2813%0.132SC..THydrogen-bonded Turntrans-59.6-13.5168.3-68.8-177172.300112.7R418 D444 V446 F464R418-E462 IonicContact CZ-OE1 2.66Å; R418-E462 IonicContact NE-OE1 3.47Å; R418-E462 PolarHBondContact NE-OE1 3.2Å; R418-E462 VanDerWaalsContact NE-OE1 3.11Å; R418-E462 IonicContact NH2-OE1 3.77Å; R418-E462 PolarHBondContact NH2-OE1 3.15Å; D444-E462 HydrophobicContact CB-CG 4.47Å; D444-E462 PolarHBondContact O-N 3.5Å; V446-E462 HydrophobicContact CG2-CG 3.73Å; E462-F464 WeakPolarHBondContact O-CE1 3.3Å; E462-F464 PolarHBondContact O-N 3.11Å
463D84.8Confident86.3Confident32 Ų3227 Ų2717%0.17114%0.138CC..THydrogen-bonded Turntrans-8411.4174.863.7-13000114.6K439 G442 G461 V465 Y467K439-D463 IonicContact NZ-OD2 2.78Å; K439-D463 PolarHBondContact NZ-OD2 2.84Å; G442-D463 WeakPolarHBondContact O-CB 3.39Å; G461-D463 WeakPolarHBondContact CA-OD1 3.22Å; G461-D463 PolarHBondContact O-N 3.01Å; G461-D463 VanDerWaalsContact O-N 3.13Å; D463-V465 PolarHBondContact O-N 3.08Å; D463-V465 PolarHBondContact OD1-N 2.86Å; D463-Y467 PolarHBondContact OD2-OH 3.24Å
464F87.7Confident86.4Confident67 Ų6723.9 Ų23.929%0.29413%0.134SC..SBendtrans64.816.8-179.9-34.3-55.8000114.5G461 E462 V482 H483 K485 D486G461-F464 PolarHBondContact O-N 3.22Å; G461-F464 VanDerWaalsContact O-N 3.17Å; E462-F464 WeakPolarHBondContact O-CE1 3.3Å; E462-F464 PolarHBondContact O-N 3.11Å; F464-V482 PolarHBondContact O-N 3.44Å; F464-H483 VanDerWaalsContact CB-O 3.28Å; F464-H483 WeakPolarHBondContact CB-O 3.43Å; F464-K485 WeakPolarHBondContact CD1-O 3.5Å; F464-D486 WeakPolarHBondContact CE1-OD1 3.26Å
465V88.1Confident86.6Confident15 Ų1530.5 Ų30.59%0.09116%0.162CC..EExtended strand (participates in β ladder)trans-103.6133.9-179.1178.10000110.7V460 G461 D463 Y467 T479 L480 T481V460-V465 WeakPolarHBondContact CA-O 3.29Å; G461-V465 PolarHBondContact N-O 2.9Å; G461-V465 VanDerWaalsContact N-O 3.09Å; D463-V465 PolarHBondContact O-N 3.08Å; D463-V465 PolarHBondContact OD1-N 2.86Å; V465-Y467 HydrophobicContact CB-CD2 4.42Å; V465-Y467 HydrophobicContact CB-CE2 3.79Å; V465-Y467 HydrophobicContact CG1-CD2 4.17Å; V465-Y467 HydrophobicContact CG1-CE1 4.4Å; V465-Y467 HydrophobicContact CG1-CE2 3.83Å; V465-Y467 WeakPolarHBondContact O-CD2 3.26Å; V465-Y467 WeakPolarHBondContact O-CE2 3.36Å; V465-T479 HydrophobicContact CG1-CG2 4.19Å; V465-L480 CarbonylContact C-O 3.58Å; V465-L480 WeakPolarHBondContact CA-O 3.2Å; V465-T481 HydrophobicContact CG2-CG2 4.18Å
466L88.8Confident86.6Confident0 Ų031 Ų310%017%0.166CC..EExtended strand (participates in β ladder)trans-85.6121.7165.8-175.872.6000109.5P202 C459 V460 T479 L480 V482 I490P202-L466 HydrophobicContact CG-CD2 3.78Å; C459-L466 CarbonylContact O-C 3.6Å; C459-L466 WeakPolarHBondContact O-CA 3.01Å; V460-L466 HydrophobicContact CG2-CB 4.42Å; V460-L466 HydrophobicContact CG2-CD1 3.46Å; V460-L466 VanDerWaalsContact CG2-CD1 3.46Å; L466-T479 CarbonylContact O-C 3.58Å; L466-T479 VanDerWaalsContact O-CA 3.26Å; L466-T479 WeakPolarHBondContact O-CA 3.42Å; L466-L480 HydrophobicContact CB-CB 4.45Å; L466-L480 PolarHBondContact N-O 3.43Å; L466-L480 PolarHBondContact O-N 3.12Å; L466-V482 HydrophobicContact CB-CG2 3.43Å; L466-V482 VanDerWaalsContact CB-CG2 3.43Å; L466-I490 HydrophobicContact CD1-CD1 4.38Å
467Y89.5Confident86.5Confident3 Ų333.3 Ų33.31%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-99.8124.6175.3-65.4-94.7000109.7K439 F445 Y458 C459 D463 V465 L476 T479K439-Y467 WeakPolarHBondContact CD-OH 3.41Å; K439-Y467 WeakPolarHBondContact CE-OH 3.2Å; K439-Y467 PolarHBondContact NZ-OH 2.6Å; F445-Y467 HydrophobicContact CD1-CD2 4.4Å; F445-Y467 AromaticContact CE1-CD2 3.63Å; F445-Y467 HydrophobicContact CE1-CD2 3.63Å; F445-Y467 HydrophobicContact CE1-CE2 4.11Å; F445-Y467 AromaticContact CE1-CG 3.93Å; F445-Y467 HydrophobicContact CE1-CG 3.93Å; Y458-Y467 WeakPolarHBondContact CA-O 3.46Å; C459-Y467 PolarHBondContact N-O 2.98Å; C459-Y467 PolarHBondContact O-N 3.41Å; D463-Y467 PolarHBondContact OD2-OH 3.24Å; V465-Y467 HydrophobicContact CB-CD2 4.42Å; V465-Y467 HydrophobicContact CB-CE2 3.79Å; V465-Y467 HydrophobicContact CG1-CD2 4.17Å; V465-Y467 HydrophobicContact CG1-CE1 4.4Å; V465-Y467 HydrophobicContact CG1-CE2 3.83Å; V465-Y467 WeakPolarHBondContact O-CD2 3.26Å; V465-Y467 WeakPolarHBondContact O-CE2 3.36Å; Y467-L476 HydrophobicContact CD1-CD1 3.82Å; Y467-L476 HydrophobicContact CD1-CD2 3.95Å; Y467-L476 HydrophobicContact CE1-CD2 4.38Å; Y467-L476 HydrophobicContact CG-CD1 4.39Å; Y467-T479 HydrophobicContact CD1-CG2 3.64Å; Y467-T479 HydrophobicContact CE1-CG2 3.78Å; Y467-T479 HydrophobicContact CG-CG2 4.45Å
468C89.7Confident86.3Confident0 Ų039 Ų390%020%0.199CC..EExtended strand (participates in β ladder)trans-107.6107178.4-57.30000109.7F201 Y458 E477 R478F201-C468 HydrophobicContact CB-CB 4.19Å; Y458-C468 HydrophobicContact CD1-CB 4.15Å; Y458-C468 HydrophobicContact CE1-CB 4.19Å; C468-E477 PolarHBondContact O-N 2.9Å; C468-R478 HydrophobicContact CB-CB 4.09Å; C468-R478 PolarHBondContact N-O 3.32Å
469F89.4Confident86.1Confident1 Ų142.4 Ų42.40%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-101.5134.7177.4-61.7-77.5000110.8F435 F445 W456 I457 C459 K475 L476F435-F469 HydrophobicContact CB-CD1 3.91Å; F435-F469 HydrophobicContact CB-CD2 4.36Å; F435-F469 HydrophobicContact CB-CE1 4.02Å; F435-F469 HydrophobicContact CB-CE2 4.47Å; F435-F469 HydrophobicContact CB-CG 4.08Å; F435-F469 HydrophobicContact CB-CZ 4.31Å; F435-F469 HydrophobicContact CD1-CB 3.75Å; F435-F469 AromaticContact CD1-CD1 3.93Å; F435-F469 HydrophobicContact CD1-CD1 3.93Å; F435-F469 AromaticContact CD1-CG 3.98Å; F435-F469 HydrophobicContact CD1-CG 3.98Å; F435-F469 HydrophobicContact CE1-CB 4.16Å; F435-F469 HydrophobicContact CG-CB 4.37Å; F435-F469 HydrophobicContact CG-CD1 4.34Å; F435-F469 HydrophobicContact CG-CG 4.28Å; F445-F469 HydrophobicContact CE1-CE2 4.42Å; F445-F469 AromaticContact CZ-CE2 3.86Å; F445-F469 HydrophobicContact CZ-CE2 3.86Å; F445-F469 AromaticContact CZ-CZ 3.9Å; F445-F469 HydrophobicContact CZ-CZ 3.9Å; W456-F469 CarbonylContact C-O 3.45Å; W456-F469 WeakPolarHBondContact CA-O 3.14Å; I457-F469 HydrophobicContact CB-CB 4.27Å; I457-F469 PolarHBondContact N-O 3.3Å; I457-F469 PolarHBondContact O-N 2.69Å; C459-F469 HydrophobicContact CB-CE2 4.24Å; F469-K475 WeakPolarHBondContact CA-O 3.24Å; F469-L476 HydrophobicContact CD1-CB 3.91Å; F469-L476 HydrophobicContact CD1-CD1 3.91Å; F469-L476 HydrophobicContact CE1-CB 3.73Å; F469-L476 HydrophobicContact CE1-CD1 3.66Å; F469-L476 HydrophobicContact CE1-CG 4.19Å; F469-L476 HydrophobicContact CE2-CD1 4.48Å; F469-L476 HydrophobicContact CG-CD1 4.44Å; F469-L476 HydrophobicContact CZ-CD1 3.96Å
470S87.8Confident86Confident10 Ų1043.9 Ų43.97%0.0723%0.228CC..EExtended strand (participates in β ladder)trans-85.4126169.7174.40000109.9F435 V472 T473 G474 K475F435-S470 WeakPolarHBondContact CE1-O 3.48Å; S470-V472 VanDerWaalsContact C-N 3.26Å; S470-V472 PolarHBondContact O-N 3.21Å; S470-V472 PolarHBondContact OG-N 3.08Å; S470-T473 VanDerWaalsContact CB-OG1 3.3Å; S470-T473 WeakPolarHBondContact CB-OG1 3.48Å; S470-T473 PolarHBondContact OG-N 2.73Å; S470-G474 WeakPolarHBondContact O-CA 3.18Å; S470-G474 PolarHBondContact O-N 3.46Å; S470-K475 PolarHBondContact N-O 3.42Å; S470-K475 VanDerWaalsContact N-O 3.08Å
471T84.2Confident86Confident26 Ų2649.4 Ų49.416%0.1626%0.262CS..THydrogen-bonded Turntrans-69.4-28.4177.763.90000111.9R433 G454 E455 I457R433-T471 PolarHBondContact NH1-O 2.69Å; G454-T471 WeakPolarHBondContact O-CB 3.48Å; G454-T471 VanDerWaalsContact O-CG2 3.22Å; G454-T471 WeakPolarHBondContact O-CG2 3.46Å; G454-T471 PolarHBondContact O-OG1 2.67Å; E455-T471 VanDerWaalsContact CA-OG1 3.29Å; E455-T471 WeakPolarHBondContact CA-OG1 3.1Å; E455-T471 PolarHBondContact O-N 2.82Å; E455-T471 PolarHBondContact O-OG1 3.31Å; E455-T471 VanDerWaalsContact O-OG1 3.12Å; I457-T471 HydrophobicContact CD1-CG2 3.66Å; I457-T471 HydrophobicContact CG1-CG2 3.63Å
472V81.9Confident85.9Confident102 Ų10249.5 Ų49.562%0.61826%0.262SS*.THydrogen-bonded Turntrans-72.1-56.5178.2-177.50000110.5R433 S470R433-V472 PolarHBondContact NH1-O 2.82Å; S470-V472 VanDerWaalsContact C-N 3.26Å; S470-V472 PolarHBondContact O-N 3.21Å; S470-V472 PolarHBondContact OG-N 3.08Å
473T81.4Confident86Confident70 Ų7047.2 Ų47.243%0.42925%0.251SS..THydrogen-bonded Turntrans-79.8-24.1-175.5710000112.5S470 K475 E477S470-T473 VanDerWaalsContact CB-OG1 3.3Å; S470-T473 WeakPolarHBondContact CB-OG1 3.48Å; S470-T473 PolarHBondContact OG-N 2.73Å; T473-K475 PolarHBondContact O-N 3.41Å; T473-K475 PolarHBondContact OG1-N 3.47Å; T473-E477 PolarHBondContact OG1-OE1 3.29Å
474G80Confident85.9Confident25 Ų2553.8 Ų53.826%0.25828%0.281SS..  trans784.3-176.200000113.6R433 S470R433-G474 VanDerWaalsContact NH1-CA 3.26Å; S470-G474 WeakPolarHBondContact O-CA 3.18Å; S470-G474 PolarHBondContact O-N 3.46Å
475K84.2Confident85.8Confident144 Ų14455.9 Ų55.963%0.62629%0.29SS*.SBendtrans-105.1155.1-172.5-63.6-177.6-178.8179.40111.7F469 S470 T473F469-K475 WeakPolarHBondContact CA-O 3.24Å; S470-K475 PolarHBondContact N-O 3.42Å; S470-K475 VanDerWaalsContact N-O 3.08Å; T473-K475 PolarHBondContact O-N 3.41Å; T473-K475 PolarHBondContact OG1-N 3.47Å
476L86.1Confident85.6Confident66 Ų6658.9 Ų58.935%0.34631%0.305SS..EExtended strand (participates in β ladder)trans-77.2116.7166.4-179.564.1000108.5Y467 F469 R478 T479Y467-L476 HydrophobicContact CD1-CD1 3.82Å; Y467-L476 HydrophobicContact CD1-CD2 3.95Å; Y467-L476 HydrophobicContact CE1-CD2 4.38Å; Y467-L476 HydrophobicContact CG-CD1 4.39Å; F469-L476 HydrophobicContact CD1-CB 3.91Å; F469-L476 HydrophobicContact CD1-CD1 3.91Å; F469-L476 HydrophobicContact CE1-CB 3.73Å; F469-L476 HydrophobicContact CE1-CD1 3.66Å; F469-L476 HydrophobicContact CE1-CG 4.19Å; F469-L476 HydrophobicContact CE2-CD1 4.48Å; F469-L476 HydrophobicContact CG-CD1 4.44Å; F469-L476 HydrophobicContact CZ-CD1 3.96Å; L476-R478 WeakPolarHBondContact CD1-O 3.23Å; L476-T479 HydrophobicContact CD1-CG2 4.2Å; L476-T479 HydrophobicContact CD2-CG2 3.89Å; L476-T479 HydrophobicContact CG-CG2 4.32Å
477E85.5Confident85.6Confident76 Ų7659.1 Ų59.136%0.35531%0.307SS..EExtended strand (participates in β ladder)trans-101.5-28.4-174.9-64.2-73.8168.700112.2W456 C468 T473W456-E477 HydrophobicContact CH2-CB 3.98Å; W456-E477 HydrophobicContact CH2-CG 3.74Å; W456-E477 HydrophobicContact CZ3-CB 3.74Å; W456-E477 HydrophobicContact CZ3-CG 3.62Å; C468-E477 PolarHBondContact O-N 2.9Å; T473-E477 PolarHBondContact OG1-OE1 3.29Å
478R84.8Confident85.5Confident120 Ų12060.9 Ų60.945%0.45332%0.316SS..EExtended strand (participates in β ladder)trans-153.3149.2-178.3-15956.442.31620.8112.2F201 C468 L476 L480F201-R478 HydrophobicContact CD2-CB 4.08Å; F201-R478 HydrophobicContact CD2-CG 4.15Å; F201-R478 HydrophobicContact CE2-CB 4.43Å; F201-R478 HydrophobicContact CE2-CG 4.33Å; C468-R478 HydrophobicContact CB-CB 4.09Å; C468-R478 PolarHBondContact N-O 3.32Å; L476-R478 WeakPolarHBondContact CD1-O 3.23Å; R478-L480 HydrophobicContact CG-CD2 4.39Å; R478-L480 HydrophobicContact CG-CG 4.31Å
479T87.1Confident85.4Confident72 Ų7261 Ų6144%0.44232%0.318SS..EExtended strand (participates in β ladder)trans-129.1135.3168.452.80000109.2V465 L466 Y467 L476V465-T479 HydrophobicContact CG1-CG2 4.19Å; L466-T479 CarbonylContact O-C 3.58Å; L466-T479 VanDerWaalsContact O-CA 3.26Å; L466-T479 WeakPolarHBondContact O-CA 3.42Å; Y467-T479 HydrophobicContact CD1-CG2 3.64Å; Y467-T479 HydrophobicContact CE1-CG2 3.78Å; Y467-T479 HydrophobicContact CG-CG2 4.45Å; L476-T479 HydrophobicContact CD1-CG2 4.2Å; L476-T479 HydrophobicContact CD2-CG2 3.89Å; L476-T479 HydrophobicContact CG-CG2 4.32Å
480L86.6Confident85.5Confident32 Ų3261.7 Ų61.717%0.16832%0.321CS..EExtended strand (participates in β ladder)trans-131131.7178.3-65.7174.3000110.5P202 V465 L466 R478 V482 W511P202-L480 HydrophobicContact CB-CD1 4.16Å; P202-L480 HydrophobicContact CG-CD1 4.02Å; P202-L480 VanDerWaalsContact O-CD1 3.31Å; P202-L480 WeakPolarHBondContact O-CD1 3.45Å; V465-L480 CarbonylContact C-O 3.58Å; V465-L480 WeakPolarHBondContact CA-O 3.2Å; L466-L480 HydrophobicContact CB-CB 4.45Å; L466-L480 PolarHBondContact N-O 3.43Å; L466-L480 PolarHBondContact O-N 3.12Å; R478-L480 HydrophobicContact CG-CD2 4.39Å; R478-L480 HydrophobicContact CG-CG 4.31Å; L480-V482 WeakPolarHBondContact O-CG2 3.49Å; L480-V482 PolarHBondContact O-N 2.83Å; L480-W511 HydrophobicContact CD1-CE3 4.48Å
481T87.4Confident85.6Confident115 Ų11561.7 Ų61.771%0.70632%0.322SS*.EExtended strand (participates in β ladder)trans-75.1120.7170.451.10000109.4V465V465-T481 HydrophobicContact CG2-CG2 4.18Å
482V84.6Confident85.9Confident3 Ų361.4 Ų61.42%0.01832%0.319CS..  trans-102.7-52.1-168.1-164.80000111.9F464 L466 L480 T501 K509 W511F464-V482 PolarHBondContact O-N 3.44Å; L466-V482 HydrophobicContact CB-CG2 3.43Å; L466-V482 VanDerWaalsContact CB-CG2 3.43Å; L480-V482 WeakPolarHBondContact O-CG2 3.49Å; L480-V482 PolarHBondContact O-N 2.83Å; V482-T501 HydrophobicContact CG1-CG2 3.69Å; V482-T501 WeakPolarHBondContact CG1-OG1 3.43Å; V482-K509 WeakPolarHBondContact O-CD 3.31Å; V482-K509 WeakPolarHBondContact O-CE 3.38Å; V482-K509 PolarHBondContact O-NZ 3.25Å; V482-W511 HydrophobicContact CB-CZ2 4.12Å; V482-W511 HydrophobicContact CG1-CZ2 3.43Å; V482-W511 VanDerWaalsContact CG1-CZ2 3.43Å
483H85.9Confident86.3Confident12 Ų1256.7 Ų56.76%0.05629%0.29CS..  trans-133.3170.7-172.1-72.1-83.5000111.3F464 V487 T501 S503 D505 L507F464-H483 VanDerWaalsContact CB-O 3.28Å; F464-H483 WeakPolarHBondContact CB-O 3.43Å; H483-V487 HydrophobicContact CB-CG2 3.91Å; H483-T501 PolarHBondContact NE2-O 3.1Å; H483-T501 PolarHBondContact NE2-OG1 3.34Å; H483-S503 PolarHBondContact CE1-OG 3Å; H483-S503 VanDerWaalsContact CG-OG 3.25Å; H483-S503 PolarHBondContact ND1-OG 3.43Å; H483-D505 WeakPolarHBondContact CB-OD2 3.21Å; H483-D505 IonicContact CG-OD2 2.81Å; H483-D505 IonicContact ND1-OD1 2.77Å; H483-D505 IonicContact ND1-OD2 3.96Å; H483-D505 PolarHBondContact ND1-OD2 2.99Å; H483-L507 PolarHBondContact CE1-O 3.41Å; H483-L507 VanDerWaalsContact CE1-O 3.29Å
484E83Confident86.4Confident171 Ų17155.4 Ų55.480%0.79928%0.283SS*.SBendtrans-101.9-9177.7-64.6178.3-177.300112.4
485K85.9Confident86.5Confident110 Ų11059 Ų5948%0.47829%0.292SS..SBendtrans-130.4174.6175.6-64.4-166.9-172.4176.70110.7F464 V487 E504 D505F464-K485 WeakPolarHBondContact CD1-O 3.5Å; K485-V487 PolarHBondContact O-N 2.93Å; K485-E504 HydrophobicContact CD-CB 4.47Å; K485-D505 HydrophobicContact CB-CB 4.09Å; K485-D505 HydrophobicContact CD-CB 4.03Å; K485-D505 HydrophobicContact CG-CB 4Å
486D83.9Confident86.4Confident78 Ų7855.2 Ų55.242%0.41728%0.277SS..  trans-51.1123.7179.1-66.8-42.3000112F464 S503 E504F464-D486 WeakPolarHBondContact CE1-OD1 3.26Å; D486-S503 WeakPolarHBondContact O-CA 3.29Å; D486-S503 WeakPolarHBondContact O-CB 3.36Å; D486-E504 PolarHBondContact O-N 2.78Å; D486-E504 VanDerWaalsContact O-N 3.09Å
487V87.8Confident86.4Confident6 Ų652.6 Ų52.64%0.03626%0.264CS..EExtended strand (participates in β ladder)trans-84.4121.9178.5-176.70000108.3V460 H483 K485 Y502V460-V487 HydrophobicContact CB-CG1 4.37Å; V460-V487 HydrophobicContact CG1-CB 3.58Å; V460-V487 HydrophobicContact CG1-CG1 3.81Å; V460-V487 HydrophobicContact CG1-CG2 3.79Å; V460-V487 HydrophobicContact CG2-CG1 4.37Å; H483-V487 HydrophobicContact CB-CG2 3.91Å; K485-V487 PolarHBondContact O-N 2.93Å; V487-Y502 WeakPolarHBondContact CG1-O 3.28Å
488I87.6Confident86.5Confident40 Ų4049 Ų4921%0.20525%0.247CC..EExtended strand (participates in β ladder)trans-79.1-43.2-177-60.8163.6000109.5H216 V217 E218 Y502 E504H216-I488 VanDerWaalsContact CD2-CD1 3.44Å; H216-I488 WeakPolarHBondContact CD2-CD1 3.32Å; V217-I488 WeakPolarHBondContact O-CD1 3.5Å; E218-I488 WeakPolarHBondContact O-CG2 3.4Å; I488-Y502 HydrophobicContact CB-CD2 3.94Å; I488-Y502 HydrophobicContact CB-CE2 4Å; I488-Y502 HydrophobicContact CG2-CD2 4.28Å; I488-Y502 HydrophobicContact CG2-CE2 3.91Å; I488-Y502 PolarHBondContact N-O 2.91Å; I488-E504 HydrophobicContact CD1-CG 3.79Å; I488-E504 HydrophobicContact CG1-CG 3.91Å
489G88Confident86.8Confident3 Ų343.5 Ų43.53%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-166.3172.4-176.700000115.7C447 Y502C447-G489 VanDerWaalsContact SG-CA 3.6Å; G489-Y502 VanDerWaalsContact C-CZ 3.48Å; G489-Y502 PolarHBondContact N-O 2.89Å; G489-Y502 WeakPolarHBondContact O-CD1 3.5Å; G489-Y502 WeakPolarHBondContact O-CE1 3.34Å; G489-Y502 PolarHBondContact O-N 3.35Å; G489-Y502 VanDerWaalsContact O-N 3.12Å
490I92Very high86.9Confident14 Ų1440 Ų407%0.07221%0.205CC..EExtended strand (participates in β ladder)trans-134.5148176.766.8-178.2000110.6T449 Y458 V460 L466 S500 T501T449-I490 HydrophobicContact CG2-CB 4.47Å; T449-I490 HydrophobicContact CG2-CD1 3.54Å; T449-I490 HydrophobicContact CG2-CG1 3.67Å; Y458-I490 WeakPolarHBondContact O-CD1 3.5Å; V460-I490 HydrophobicContact CB-CG2 4.35Å; V460-I490 HydrophobicContact CG2-CD1 4.31Å; V460-I490 HydrophobicContact CG2-CG2 3.31Å; L466-I490 HydrophobicContact CD1-CD1 4.38Å; I490-S500 CarbonylContact C-O 3.5Å; I490-S500 VanDerWaalsContact CA-O 3.32Å; I490-S500 WeakPolarHBondContact CA-O 3.48Å; I490-T501 HydrophobicContact CG2-CG2 3.78Å
491A90.6Very high87.2Confident10 Ų1038.5 Ų38.58%0.08320%0.197CC..EExtended strand (participates in β ladder)trans-138.7144.8171.900000110.5F222 I499 S500F222-A491 HydrophobicContact CD2-CB 4.12Å; F222-A491 HydrophobicContact CE2-CB 4.3Å; A491-I499 WeakPolarHBondContact O-CA 3.49Å; A491-S500 WeakPolarHBondContact CB-OG 3.35Å; A491-S500 PolarHBondContact N-O 3.32Å; A491-S500 PolarHBondContact O-N 3.44Å; A491-S500 PolarHBondContact O-OG 2.87Å
492H90.4Very high87.4Confident21 Ų2134.1 Ų34.110%0.09717%0.168CC..EExtended strand (participates in β ladder)trans-108.3143.2177.5-167.4-69.4000110.7F222 T449 P452 Y458 Q496 I499F222-H492 VanDerWaalsContact CD2-C 3.43Å; F222-H492 WeakPolarHBondContact CD2-O 3.28Å; T449-H492 HydrophobicContact CG2-CB 4.11Å; P452-H492 WeakPolarHBondContact CD-CE1 3.44Å; P452-H492 WeakPolarHBondContact CD-ND1 3.42Å; Y458-H492 AromaticContact CE2-CD2 3.58Å; H492-Q496 PolarHBondContact CE1-O 2.83Å; H492-I499 VanDerWaalsContact CD2-CG1 3.47Å; H492-I499 WeakPolarHBondContact CD2-CG1 3.38Å
493H89.1Confident87.6Confident2 Ų234 Ų341%0.00917%0.167CC..  trans-73.8132.1175.5-172.9-89000111.9F222 G226 F243 P452 H495 Q496 L498F222-H493 HydrophobicContact CD1-CB 4.36Å; F222-H493 AromaticContact CD1-CD2 3.54Å; F222-H493 HydrophobicContact CD2-CB 4.27Å; F222-H493 HydrophobicContact CE1-CB 4.4Å; F222-H493 AromaticContact CE1-CD2 3.89Å; F222-H493 HydrophobicContact CE2-CB 4.32Å; F222-H493 HydrophobicContact CG-CB 4.27Å; F222-H493 HydrophobicContact CZ-CB 4.38Å; G226-H493 WeakPolarHBondContact CA-NE2 3.36Å; G226-H493 PolarHBondContact O-NE2 3.45Å; F243-H493 AromaticContact CE1-NE2 3.71Å; F243-H493 AromaticContact CZ-CD2 3.94Å; F243-H493 AromaticContact CZ-NE2 3.42Å; F243-H493 WeakPolarHBondContact CZ-NE2 3.35Å; P452-H493 WeakPolarHBondContact CG-O 3.49Å; H493-H495 PolarHBondContact ND1-N 3.12Å; H493-H495 PolarHBondContact O-N 3.17Å; H493-H495 VanDerWaalsContact O-N 3.11Å; H493-Q496 PolarHBondContact ND1-N 3.04Å; H493-L498 HydrophobicContact CB-CB 3.78Å; H493-L498 HydrophobicContact CB-CD2 4.43Å; H493-L498 HydrophobicContact CB-CG 4.41Å; H493-L498 WeakPolarHBondContact CB-O 3.45Å; H493-L498 PolarHBondContact N-O 3.21Å
494P83.9Confident87.6Confident44 Ų4437.6 Ų37.629%0.28618%0.184SC..SBendtrans-64.9-19.9-172.8-26.936.2000116.3S223 P452S223-P494 WeakPolarHBondContact O-CG 3.32Å; P452-P494 WeakPolarHBondContact CB-O 3.32Å
495H82.4Confident87.7Confident99 Ų9931.2 Ų31.246%0.45816%0.155SC..SBendtrans-127.9-11.4-169.7-59.6-31.8000115.5P224 D225 H493P224-H495 PolarHBondContact O-NE2 2.71Å; P224-H495 VanDerWaalsContact O-NE2 3.12Å; D225-H495 PolarHBondContact O-CD2 2.85Å; H493-H495 PolarHBondContact ND1-N 3.12Å; H493-H495 PolarHBondContact O-N 3.17Å; H493-H495 VanDerWaalsContact O-N 3.11Å
496Q82.7Confident87.6Confident65 Ų6526.3 Ų26.330%0.30414%0.136SC..SBendtrans-133.4153.7-174.7-65.6-178.54.700107.4H492 H493 L498H492-Q496 PolarHBondContact CE1-O 2.83Å; H493-Q496 PolarHBondContact ND1-N 3.04Å; Q496-L498 PolarHBondContact O-N 2.83Å
497N84.3Confident87.9Confident12 Ų1224.4 Ų24.46%0.06413%0.126CC..SBendtrans-75.177.2172.3-63.7-34.9000109.7E197 E198 E199 R200 P513E197-N497 PolarHBondContact OE2-N 3.07Å; E198-N497 PolarHBondContact O-ND2 2.93Å; E199-N497 WeakPolarHBondContact CA-OD1 3.33Å; R200-N497 PolarHBondContact N-ND2 3.19Å; N497-P513 HydrophobicContact CB-CG 3.64Å; N497-P513 WeakPolarHBondContact O-CD 3.39Å
498L87.8Confident88Confident1 Ų124.1 Ų24.11%0.00512%0.124CC..  trans-135.8128180176.166.1000109.1F222 F243 H493 Q496 L510 W511 K512F222-L498 HydrophobicContact CE1-CD2 3.99Å; F222-L498 HydrophobicContact CZ-CD2 4.01Å; F222-L498 HydrophobicContact CZ-CG 4.17Å; F243-L498 HydrophobicContact CB-CD2 4.19Å; F243-L498 HydrophobicContact CD2-CD2 3.37Å; F243-L498 HydrophobicContact CE2-CD2 3.96Å; F243-L498 HydrophobicContact CG-CD2 3.95Å; H493-L498 HydrophobicContact CB-CB 3.78Å; H493-L498 HydrophobicContact CB-CD2 4.43Å; H493-L498 HydrophobicContact CB-CG 4.41Å; H493-L498 WeakPolarHBondContact CB-O 3.45Å; H493-L498 PolarHBondContact N-O 3.21Å; Q496-L498 PolarHBondContact O-N 2.83Å; L498-L510 HydrophobicContact CD1-CB 4.03Å; L498-L510 HydrophobicContact CD1-CD2 4.41Å; L498-W511 WeakPolarHBondContact CA-O 3.3Å; L498-W511 VanDerWaalsContact CD1-O 3.24Å; L498-W511 WeakPolarHBondContact CD1-O 3.32Å; L498-K512 HydrophobicContact CD1-CG 3.8Å
499I90.7Very high88.2Confident3 Ų323.7 Ų23.72%0.01512%0.12CC..EExtended strand (participates in β ladder)trans-118.7132.9178.2-66.6161.4000108.6P202 Y458 A491 H492 T501 L510 W511P202-I499 HydrophobicContact CB-CD1 4.24Å; P202-I499 HydrophobicContact CG-CD1 3.69Å; Y458-I499 HydrophobicContact CD1-CD1 3.84Å; Y458-I499 HydrophobicContact CD2-CD1 3.74Å; Y458-I499 HydrophobicContact CD2-CG1 4.43Å; Y458-I499 HydrophobicContact CE1-CD1 3.75Å; Y458-I499 HydrophobicContact CE2-CD1 3.63Å; Y458-I499 HydrophobicContact CE2-CG1 4.37Å; Y458-I499 HydrophobicContact CG-CD1 3.82Å; A491-I499 WeakPolarHBondContact O-CA 3.49Å; H492-I499 VanDerWaalsContact CD2-CG1 3.47Å; H492-I499 WeakPolarHBondContact CD2-CG1 3.38Å; I499-T501 HydrophobicContact CG2-CG2 4.06Å; I499-L510 CarbonylContact O-C 3.59Å; I499-L510 WeakPolarHBondContact O-CA 3.33Å; I499-W511 HydrophobicContact CB-CB 4.43Å; I499-W511 PolarHBondContact N-O 3.43Å; I499-W511 PolarHBondContact O-N 3.36Å
500S91.1Very high88.3Confident0 Ų023.6 Ų23.60%012%0.119CC..EExtended strand (participates in β ladder)trans-104.3129.3167.563.40000110.1S220 F222 I490 A491 K509 L510S220-S500 PolarHBondContact OG-OG 3.3Å; F222-S500 WeakPolarHBondContact CE2-OG 3.39Å; I490-S500 CarbonylContact C-O 3.5Å; I490-S500 VanDerWaalsContact CA-O 3.32Å; I490-S500 WeakPolarHBondContact CA-O 3.48Å; A491-S500 WeakPolarHBondContact CB-OG 3.35Å; A491-S500 PolarHBondContact N-O 3.32Å; A491-S500 PolarHBondContact O-N 3.44Å; A491-S500 PolarHBondContact O-OG 2.87Å; S500-K509 CarbonylContact C-O 3.5Å; S500-K509 VanDerWaalsContact CA-O 3.32Å; S500-K509 WeakPolarHBondContact CA-O 3.48Å; S500-L510 VanDerWaalsContact CB-CD2 3.49Å
501T91.4Very high88.1Confident0 Ų023.8 Ų23.80%012%0.119CC..EExtended strand (participates in β ladder)trans-116.1142.5171.162.10000108.7V482 H483 I490 I499 L508 K509 W511V482-T501 HydrophobicContact CG1-CG2 3.69Å; V482-T501 WeakPolarHBondContact CG1-OG1 3.43Å; H483-T501 PolarHBondContact NE2-O 3.1Å; H483-T501 PolarHBondContact NE2-OG1 3.34Å; I490-T501 HydrophobicContact CG2-CG2 3.78Å; I499-T501 HydrophobicContact CG2-CG2 4.06Å; T501-L508 CarbonylContact O-C 3.58Å; T501-L508 WeakPolarHBondContact O-CA 3.36Å; T501-K509 PolarHBondContact N-O 3.46Å; T501-K509 PolarHBondContact O-N 3.24Å; T501-W511 PolarHBondContact OG1-NE1 3.1Å
502Y92.3Very high87.9Confident22 Ų2226.8 Ų26.89%0.08613%0.13CC..EExtended strand (participates in β ladder)trans-141.1144.3-179.650.6-85.5000110.4V217 E218 S220 V487 I488 G489V217-Y502 HydrophobicContact CB-CD2 4.42Å; V217-Y502 HydrophobicContact CG1-CD2 4.05Å; V217-Y502 HydrophobicContact CG1-CG 4.11Å; V217-Y502 WeakPolarHBondContact O-CD2 3.4Å; E218-Y502 WeakPolarHBondContact O-CE2 3.49Å; S220-Y502 PolarHBondContact N-OH 3.43Å; S220-Y502 WeakPolarHBondContact OG-CD1 3.49Å; S220-Y502 WeakPolarHBondContact OG-CE1 3.34Å; V487-Y502 WeakPolarHBondContact CG1-O 3.28Å; I488-Y502 HydrophobicContact CB-CD2 3.94Å; I488-Y502 HydrophobicContact CB-CE2 4Å; I488-Y502 HydrophobicContact CG2-CD2 4.28Å; I488-Y502 HydrophobicContact CG2-CE2 3.91Å; I488-Y502 PolarHBondContact N-O 2.91Å; G489-Y502 VanDerWaalsContact C-CZ 3.48Å; G489-Y502 PolarHBondContact N-O 2.89Å; G489-Y502 WeakPolarHBondContact O-CD1 3.5Å; G489-Y502 WeakPolarHBondContact O-CE1 3.34Å; G489-Y502 PolarHBondContact O-N 3.35Å; G489-Y502 VanDerWaalsContact O-N 3.12Å
503S89.5Confident87.3Confident0 Ų028.9 Ų28.90%015%0.146CC..EExtended strand (participates in β ladder)trans-144.2171.6-17161.70000112H483 D486 D505 G506 L507H483-S503 PolarHBondContact CE1-OG 3Å; H483-S503 VanDerWaalsContact CG-OG 3.25Å; H483-S503 PolarHBondContact ND1-OG 3.43Å; D486-S503 WeakPolarHBondContact O-CA 3.29Å; D486-S503 WeakPolarHBondContact O-CB 3.36Å; S503-D505 PolarHBondContact O-N 3.38Å; S503-D505 VanDerWaalsContact O-N 3.13Å; S503-D505 PolarHBondContact OG-OD1 3.48Å; S503-D505 PolarHBondContact OG-OD2 3.4Å; S503-G506 PolarHBondContact O-N 3.1Å; S503-L507 PolarHBondContact N-O 3.34Å
504E85.8Confident87.2Confident89 Ų8930.3 Ų30.342%0.41615%0.152SC..THydrogen-bonded Turntrans-68.1-2.2175.3-64.9-172.9179.400114K485 D486 I488 G506K485-E504 HydrophobicContact CD-CB 4.47Å; D486-E504 PolarHBondContact O-N 2.78Å; D486-E504 VanDerWaalsContact O-N 3.09Å; I488-E504 HydrophobicContact CD1-CG 3.79Å; I488-E504 HydrophobicContact CG1-CG 3.91Å; E504-G506 PolarHBondContact O-N 3.31Å
505D84.6Confident87.4Confident37 Ų3729.5 Ų29.520%0.19815%0.145CC..THydrogen-bonded Turntrans-76.9-3.8172.667.924000112.8H483 K485 S503 L507H483-D505 WeakPolarHBondContact CB-OD2 3.21Å; H483-D505 IonicContact CG-OD2 2.81Å; H483-D505 IonicContact ND1-OD1 2.77Å; H483-D505 IonicContact ND1-OD2 3.96Å; H483-D505 PolarHBondContact ND1-OD2 2.99Å; K485-D505 HydrophobicContact CB-CB 4.09Å; K485-D505 HydrophobicContact CD-CB 4.03Å; K485-D505 HydrophobicContact CG-CB 4Å; S503-D505 PolarHBondContact O-N 3.38Å; S503-D505 VanDerWaalsContact O-N 3.13Å; S503-D505 PolarHBondContact OG-OD1 3.48Å; S503-D505 PolarHBondContact OG-OD2 3.4Å; D505-L507 VanDerWaalsContact C-N 3.29Å; D505-L507 WeakPolarHBondContact OD1-CA 3.18Å; D505-L507 WeakPolarHBondContact OD1-CB 3.31Å; D505-L507 VanDerWaalsContact OD1-CG 3.26Å; D505-L507 WeakPolarHBondContact OD1-CG 3.05Å; D505-L507 PolarHBondContact OD1-N 3.28Å
506G84.6Confident87.6Confident7 Ų725.7 Ų25.77%0.07213%0.128CC..SBendtrans75.618.5-177.900000112.9F211 S503 E504F211-G506 WeakPolarHBondContact CB-O 3.17Å; F211-G506 WeakPolarHBondContact CD2-O 3.22Å; F211-G506 PolarHBondContact N-O 3.03Å; S503-G506 PolarHBondContact O-N 3.1Å; E504-G506 PolarHBondContact O-N 3.31Å
507L88.9Confident87.9Confident38 Ų3823.4 Ų23.420%0.19912%0.118CC..EExtended strand (participates in β ladder)trans-112.7136.7175.4-52.2170.3000110.4I209 K210 H483 S503 D505I209-L507 WeakPolarHBondContact O-CA 3.48Å; K210-L507 HydrophobicContact CB-CD2 3.85Å; K210-L507 HydrophobicContact CD-CD2 4.25Å; K210-L507 HydrophobicContact CG-CD2 3.78Å; H483-L507 PolarHBondContact CE1-O 3.41Å; H483-L507 VanDerWaalsContact CE1-O 3.29Å; S503-L507 PolarHBondContact N-O 3.34Å; D505-L507 VanDerWaalsContact C-N 3.29Å; D505-L507 WeakPolarHBondContact OD1-CA 3.18Å; D505-L507 WeakPolarHBondContact OD1-CB 3.31Å; D505-L507 VanDerWaalsContact OD1-CG 3.26Å; D505-L507 WeakPolarHBondContact OD1-CG 3.05Å; D505-L507 PolarHBondContact OD1-N 3.28Å
508L91.1Very high88.1Confident0 Ų024.1 Ų24.10%012%0.121CC..EExtended strand (participates in β ladder)trans-109.4117.7163.2-175163.2000108.2H208 I209 F211 L229 T231 T501 L510H208-L508 CarbonylContact C-O 3.58Å; H208-L508 VanDerWaalsContact CA-O 3.28Å; H208-L508 WeakPolarHBondContact CA-O 3.45Å; I209-L508 HydrophobicContact CB-CB 4.31Å; I209-L508 HydrophobicContact CD1-CD2 4.29Å; I209-L508 PolarHBondContact N-O 2.96Å; I209-L508 PolarHBondContact O-N 3.22Å; F211-L508 HydrophobicContact CE2-CB 4.07Å; L229-L508 HydrophobicContact CD2-CD1 4.32Å; L229-L508 HydrophobicContact CD2-CD2 4.05Å; T231-L508 HydrophobicContact CG2-CD1 3.42Å; T231-L508 VanDerWaalsContact CG2-CD1 3.42Å; T501-L508 CarbonylContact O-C 3.58Å; T501-L508 WeakPolarHBondContact O-CA 3.36Å; L508-L510 HydrophobicContact CD2-CD2 3.81Å; L508-L510 HydrophobicContact CD2-CG 4.02Å
509K90.9Very high88.2Confident31 Ų3125.6 Ų25.614%0.13513%0.129CC..EExtended strand (participates in β ladder)trans-103.7137-177.7-69.8-179.7-172.4-178.70110.8L205 H208 V482 S500 T501 W511L205-K509 HydrophobicContact CD1-CB 3.64Å; L205-K509 HydrophobicContact CD1-CD 4.16Å; L205-K509 HydrophobicContact CD1-CG 3.96Å; H208-K509 HydrophobicContact CB-CG 4.12Å; V482-K509 WeakPolarHBondContact O-CD 3.31Å; V482-K509 WeakPolarHBondContact O-CE 3.38Å; V482-K509 PolarHBondContact O-NZ 3.25Å; S500-K509 CarbonylContact C-O 3.5Å; S500-K509 VanDerWaalsContact CA-O 3.32Å; S500-K509 WeakPolarHBondContact CA-O 3.48Å; T501-K509 PolarHBondContact N-O 3.46Å; T501-K509 PolarHBondContact O-N 3.24Å; K509-W511 HydrophobicContact CB-CZ2 4.11Å; K509-W511 HydrophobicContact CD-CZ2 3.92Å
510L90.6Very high88Confident0 Ų027.2 Ų27.20%014%0.137CC..EExtended strand (participates in β ladder)trans-111.9123.1179.3-66177.5000110.5T206 R207 F222 L229 F243 L498 I499 S500 L508T206-L510 PolarHBondContact N-O 3.39Å; T206-L510 PolarHBondContact OG1-O 2.98Å; R207-L510 HydrophobicContact CB-CB 4.32Å; R207-L510 HydrophobicContact CB-CD1 4.25Å; R207-L510 PolarHBondContact N-O 2.88Å; R207-L510 PolarHBondContact O-N 3.45Å; F222-L510 HydrophobicContact CZ-CD2 4.16Å; L229-L510 HydrophobicContact CD2-CD2 4.11Å; F243-L510 HydrophobicContact CB-CD1 3.94Å; F243-L510 WeakPolarHBondContact O-CD1 3.37Å; L498-L510 HydrophobicContact CD1-CB 4.03Å; L498-L510 HydrophobicContact CD1-CD2 4.41Å; I499-L510 CarbonylContact O-C 3.59Å; I499-L510 WeakPolarHBondContact O-CA 3.33Å; S500-L510 VanDerWaalsContact CB-CD2 3.49Å; L508-L510 HydrophobicContact CD2-CD2 3.81Å; L508-L510 HydrophobicContact CD2-CG 4.02Å
511W87.9Confident87.8Confident19 Ų1929.3 Ų29.37%0.07215%0.147CC..EExtended strand (participates in β ladder)trans-114.7135.4-173.3-5487.1000110.8P202 Q204 L205 L480 V482 L498 I499 T501 K509P202-W511 HydrophobicContact CB-CB 3.77Å; Q204-W511 WeakPolarHBondContact O-CA 3.33Å; L205-W511 HydrophobicContact CB-CE3 4.02Å; L205-W511 HydrophobicContact CB-CH2 4.19Å; L205-W511 HydrophobicContact CB-CZ3 3.78Å; L205-W511 HydrophobicContact CD1-CD2 4.14Å; L205-W511 HydrophobicContact CD1-CE3 4.32Å; L205-W511 HydrophobicContact CD1-CH2 4.15Å; L205-W511 HydrophobicContact CD1-CZ2 3.93Å; L205-W511 HydrophobicContact CD1-CZ3 4.33Å; L480-W511 HydrophobicContact CD1-CE3 4.48Å; V482-W511 HydrophobicContact CB-CZ2 4.12Å; V482-W511 HydrophobicContact CG1-CZ2 3.43Å; V482-W511 VanDerWaalsContact CG1-CZ2 3.43Å; L498-W511 WeakPolarHBondContact CA-O 3.3Å; L498-W511 VanDerWaalsContact CD1-O 3.24Å; L498-W511 WeakPolarHBondContact CD1-O 3.32Å; I499-W511 HydrophobicContact CB-CB 4.43Å; I499-W511 PolarHBondContact N-O 3.43Å; I499-W511 PolarHBondContact O-N 3.36Å; T501-W511 PolarHBondContact OG1-NE1 3.1Å; K509-W511 HydrophobicContact CB-CZ2 4.11Å; K509-W511 HydrophobicContact CD-CZ2 3.92Å
512K85.3Confident87.4Confident73 Ų7331.8 Ų31.832%0.31716%0.16SC..EExtended strand (participates in β ladder)trans-121.5155.7171.4-73.6-163.8178.5-164.90110.5T203 Q204 T206 L498T203-K512 PolarHBondContact N-O 3.42Å; Q204-K512 PolarHBondContact N-O 3.13Å; Q204-K512 PolarHBondContact O-N 2.88Å; T206-K512 HydrophobicContact CG2-CB 3.53Å; T206-K512 HydrophobicContact CG2-CD 3.91Å; T206-K512 HydrophobicContact CG2-CG 3.55Å; L498-K512 HydrophobicContact CD1-CG 3.8Å
513P77.9Confident87Confident65 Ų6532.6 Ų32.642%0.42217%0.166SC..  trans-62.40174.228.2-37.3000113.3R200 F201 T203 N497R200-P513 HydrophobicContact CB-CB 3.44Å; R200-P513 VanDerWaalsContact CB-CB 3.44Å; R200-P513 HydrophobicContact CB-CG 4.07Å; F201-P513 VanDerWaalsContact O-CA 3.29Å; F201-P513 WeakPolarHBondContact O-CA 3.44Å; F201-P513 VanDerWaalsContact O-CB 3.26Å; F201-P513 WeakPolarHBondContact O-CB 3.4Å; T203-P513 WeakPolarHBondContact CB-OXT 3.14Å; T203-P513 VanDerWaalsContact CG2-OXT 3.3Å; T203-P513 WeakPolarHBondContact CG2-OXT 3.34Å; T203-P513 PolarHBondContact OG1-OXT 3.09Å; N497-P513 HydrophobicContact CB-CG 3.64Å; N497-P513 WeakPolarHBondContact O-CD 3.39Å

Retrieved 513 of 513 residues in 1478.7 ms (Link to these results)

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