A0A060WCU8_ONCMY Loading...

DIRAS family GTPase 1

Displays low GTPase activity and exists predominantly in the GTP-bound form.

AlphaFold DB , UniProt , Accession A0A060WCU8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene diras1a, Length 198 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
1M41.1Very low73.4Confident231 Ų23189.2 Ų89.2100%1.13846%0.457SS*.  0131.60-59.9-152.516400106.8E3M1-E3 PolarHBondContact O-N 3.15Å
2P41.8Very low75.5Confident130 Ų13081.9 Ų81.984%0.84442%0.42SS*.  trans-63.9126178.327.2-30.5000107.6Q4P2-Q4 PolarHBondContact O-N 3.4Å; P2-Q4 VanDerWaalsContact O-N 3.15Å
3E45.2Very low77.1Confident190 Ų19075.8 Ų75.889%0.88839%0.389SS*.  trans-49122.9173-89.4179.8141.500108.5M1 S5M1-E3 PolarHBondContact O-N 3.15Å; E3-S5 PolarHBondContact O-N 3.16Å
4Q52.2Low78.5Confident192 Ų19270.7 Ų70.790%0.89736%0.364SS*.  trans-60.6106.7167.6-110.4161.21100106.5P2 N6P2-Q4 PolarHBondContact O-N 3.4Å; P2-Q4 VanDerWaalsContact O-N 3.15Å; Q4-N6 PolarHBondContact O-N 3.04Å; Q4-N6 VanDerWaalsContact O-N 3.13Å
5S64.3Low79.6Confident65 Ų6566.5 Ų66.546%0.45534%0.344SS..  trans-53.2123.6178.167.10000108.1E3 D7E3-S5 PolarHBondContact O-N 3.16Å; S5-D7 PolarHBondContact O-N 2.99Å
6N82.6Confident80.5Confident69 Ų6964.7 Ų64.737%0.36935%0.346SS..  trans-7117.3179-162.217.4000112.7Q4 Y8 C55 R171Q4-N6 PolarHBondContact O-N 3.04Å; Q4-N6 VanDerWaalsContact O-N 3.13Å; N6-Y8 PolarHBondContact O-N 2.92Å; N6-C55 HydrophobicContact CB-CB 4.1Å; N6-C55 VanDerWaalsContact O-CB 3.27Å; N6-C55 WeakPolarHBondContact O-CB 3.43Å; N6-R171 PolarHBondContact O-NH1 2.91Å; N6-R171 VanDerWaalsContact O-NH1 3.17Å; N6-R171 PolarHBondContact OD1-NH1 3.06Å
7D91.7Very high81.3Confident20 Ų2062.7 Ų62.711%0.10735%0.345CS..  trans-60.7132.6-170.6-66.53.9000111.7S5 R45 T56 Q58 H80S5-D7 PolarHBondContact O-N 2.99Å; D7-R45 IonicContact OD2-NH1 3.47Å; D7-R45 PolarHBondContact OD2-NH1 3.15Å; D7-T56 CarbonylContact C-O 3.57Å; D7-T56 VanDerWaalsContact CA-O 3.25Å; D7-T56 WeakPolarHBondContact CA-O 3.24Å; D7-T56 WeakPolarHBondContact OD1-CB 3.49Å; D7-T56 PolarHBondContact OD1-OG1 3.43Å; D7-Q58 HydrophobicContact CB-CG 4.32Å; D7-Q58 PolarHBondContact OD2-NE2 2.99Å; D7-H80 PolarHBondContact O-CE1 3.08Å; D7-H80 VanDerWaalsContact O-CE1 3.27Å
8Y95.8Very high82.2Confident2 Ų259.4 Ų59.41%0.00833%0.327CS..EExtended strand (participates in β ladder)trans-100.1130.3169.4-162.9-103.6000108.8N6 V10 T56 L57 Q58 H80 A81 L165 E168 M173N6-Y8 PolarHBondContact O-N 2.92Å; Y8-V10 HydrophobicContact CD1-CG2 4.19Å; Y8-V10 HydrophobicContact CE1-CG2 4.18Å; Y8-T56 PolarHBondContact N-O 2.88Å; Y8-L57 HydrophobicContact CD1-CD1 3.93Å; Y8-L57 CarbonylContact O-C 3.59Å; Y8-L57 WeakPolarHBondContact O-CA 3.22Å; Y8-Q58 PolarHBondContact O-N 3.41Å; Y8-H80 HydrophobicContact CD2-CB 3.96Å; Y8-H80 HydrophobicContact CE1-CB 4.42Å; Y8-H80 HydrophobicContact CE2-CB 3.58Å; Y8-A81 HydrophobicContact CE1-CB 3.86Å; Y8-L165 HydrophobicContact CD1-CD2 3.67Å; Y8-L165 HydrophobicContact CE1-CD2 3.81Å; Y8-E168 HydrophobicContact CE2-CG 3.99Å; Y8-E168 VanDerWaalsContact CE2-OE2 3.25Å; Y8-E168 WeakPolarHBondContact CE2-OE2 3.47Å; Y8-E168 PolarHBondContact OH-OE2 3.43Å; Y8-M173 HydrophobicContact CD1-CE 4.05Å; Y8-M173 HydrophobicContact CD1-SD 4.05Å; Y8-M173 HydrophobicContact CD2-CE 3.82Å; Y8-M173 HydrophobicContact CD2-SD 3.61Å; Y8-M173 HydrophobicContact CE1-CE 3.83Å; Y8-M173 HydrophobicContact CE1-SD 4.44Å; Y8-M173 HydrophobicContact CE2-CE 3.6Å; Y8-M173 HydrophobicContact CE2-SD 4.05Å; Y8-M173 HydrophobicContact CG-CE 4.03Å; Y8-M173 HydrophobicContact CG-SD 3.6Å
9R96.9Very high82.9Confident77 Ų7756.9 Ų56.929%0.29132%0.316SS..EExtended strand (participates in β ladder)trans-118.8112.8-165.4-66.7-179.5-178.5157.15.3109Q58 K78 H80 A81R9-Q58 CarbonylContact C-O 3.34Å; R9-Q58 WeakPolarHBondContact CA-O 3.09Å; R9-Q58 HydrophobicContact CG-CB 4.21Å; R9-K78 WeakPolarHBondContact CD-O 3.33Å; R9-H80 PolarHBondContact N-ND1 3.29Å; R9-H80 WeakPolarHBondContact O-CA 3.42Å; R9-H80 WeakPolarHBondContact O-CB 3.27Å; R9-H80 PolarHBondContact O-N 2.96Å; R9-A81 PolarHBondContact O-N 2.9Å; R9-A81 VanDerWaalsContact O-N 3.09Å
10V98.1Very high83.6Confident1 Ų154.6 Ų54.61%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-103.7130.4174.3176.40000108Y8 L57 Q58 I59 T60 A81 I83 L164Y8-V10 HydrophobicContact CD1-CG2 4.19Å; Y8-V10 HydrophobicContact CE1-CG2 4.18Å; V10-L57 HydrophobicContact CG2-CD1 3.66Å; V10-Q58 PolarHBondContact N-O 2.85Å; V10-I59 HydrophobicContact CB-CG1 4.44Å; V10-I59 CarbonylContact O-C 3.59Å; V10-I59 WeakPolarHBondContact O-CA 3.43Å; V10-T60 PolarHBondContact O-N 2.97Å; V10-A81 WeakPolarHBondContact CA-O 3.47Å; V10-A81 HydrophobicContact CG2-CB 4.21Å; V10-I83 HydrophobicContact CG1-CD1 3.75Å; V10-I83 HydrophobicContact CG1-CG1 3.86Å; V10-L164 HydrophobicContact CB-CD2 4.46Å; V10-L164 HydrophobicContact CG1-CD2 3.69Å; V10-L164 HydrophobicContact CG2-CD2 3.85Å
11V97.9Very high84.2Confident4 Ų453.1 Ų53.12%0.02430%0.296CS..EExtended strand (participates in β ladder)trans-113.4130.1175-174.90000108.8F13 T62 A81 F82 I83V11-F13 HydrophobicContact CB-CE2 4.09Å; V11-F13 HydrophobicContact CB-CZ 4.48Å; V11-F13 HydrophobicContact CG1-CD1 4.5Å; V11-F13 HydrophobicContact CG1-CD2 4.01Å; V11-F13 HydrophobicContact CG1-CE1 3.99Å; V11-F13 HydrophobicContact CG1-CE2 3.45Å; V11-F13 VanDerWaalsContact CG1-CE2 3.45Å; V11-F13 HydrophobicContact CG1-CZ 3.44Å; V11-F13 VanDerWaalsContact CG1-CZ 3.44Å; V11-T62 HydrophobicContact CG1-CG2 3.73Å; V11-A81 PolarHBondContact N-O 3.43Å; V11-F82 HydrophobicContact CB-CD1 4.05Å; V11-F82 HydrophobicContact CB-CE1 4.2Å; V11-F82 HydrophobicContact CG2-CE1 4.33Å; V11-F82 WeakPolarHBondContact O-CA 3.32Å; V11-I83 PolarHBondContact O-N 3.38Å
12V98.1Very high86.9Confident2 Ų243.7 Ų43.71%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-105.3114.6-177.8-170.70000109.4K20 V24 I59 T60 T62 I83 V85V12-K20 HydrophobicContact CG1-CB 3.89Å; V12-K20 HydrophobicContact CG1-CD 4.21Å; V12-K20 HydrophobicContact CG1-CG 3.98Å; V12-V24 HydrophobicContact CG2-CG2 3.91Å; V12-I59 HydrophobicContact CG2-CG2 3.82Å; V12-T60 PolarHBondContact N-O 3.05Å; V12-T62 WeakPolarHBondContact O-CG2 3.15Å; V12-T62 PolarHBondContact O-OG1 3.42Å; V12-I83 WeakPolarHBondContact CA-O 3.26Å; V12-I83 HydrophobicContact CG1-CB 4.3Å; V12-I83 HydrophobicContact CG1-CG2 4.34Å; V12-I83 HydrophobicContact CG2-CB 4.33Å; V12-I83 HydrophobicContact CG2-CD1 4.31Å; V12-V85 HydrophobicContact CG1-CG2 3.67Å
13F97.2Very high89.6Confident3 Ų337.6 Ų37.61%0.01321%0.213CC..EExtended strand (participates in β ladder)trans-112.1162.8178.6-69.8-66.2000112V11 T62 Q72 I76 F82 I83 L84 V85 I100V11-F13 HydrophobicContact CB-CE2 4.09Å; V11-F13 HydrophobicContact CB-CZ 4.48Å; V11-F13 HydrophobicContact CG1-CD1 4.5Å; V11-F13 HydrophobicContact CG1-CD2 4.01Å; V11-F13 HydrophobicContact CG1-CE1 3.99Å; V11-F13 HydrophobicContact CG1-CE2 3.45Å; V11-F13 VanDerWaalsContact CG1-CE2 3.45Å; V11-F13 HydrophobicContact CG1-CZ 3.44Å; V11-F13 VanDerWaalsContact CG1-CZ 3.44Å; F13-T62 HydrophobicContact CD1-CG2 3.99Å; F13-T62 HydrophobicContact CE1-CG2 3.81Å; F13-Q72 HydrophobicContact CE1-CG 3.88Å; F13-Q72 HydrophobicContact CZ-CG 4.13Å; F13-I76 HydrophobicContact CE2-CG1 3.81Å; F13-I76 HydrophobicContact CZ-CD1 4.49Å; F13-I76 HydrophobicContact CZ-CG1 3.8Å; F13-F82 HydrophobicContact CD2-CD1 4.31Å; F13-F82 AromaticContact CE2-CD1 3.91Å; F13-F82 HydrophobicContact CE2-CD1 3.91Å; F13-F82 HydrophobicContact CE2-CE1 4.26Å; F13-I83 PolarHBondContact N-O 3.46Å; F13-L84 HydrophobicContact CB-CD2 3.91Å; F13-L84 HydrophobicContact CD2-CD2 4.21Å; F13-V85 PolarHBondContact O-N 3.32Å; F13-I100 HydrophobicContact CB-CD1 4.22Å; F13-I100 HydrophobicContact CB-CG2 3.89Å; F13-I100 HydrophobicContact CD1-CG2 4.36Å; F13-I100 HydrophobicContact CD2-CG2 3.91Å; F13-I100 HydrophobicContact CG-CG2 3.81Å
14G96.7Very high92.1Very high4 Ų428.6 Ų28.64%0.04117%0.171CC..  trans146163-179.400000112.2K20 G64 V85G14-K20 PolarHBondContact O-NZ 3.44Å; G14-G64 WeakPolarHBondContact O-CA 3.17Å; G14-V85 VanDerWaalsContact CA-O 3.27Å; G14-V85 WeakPolarHBondContact CA-O 3.46Å
15A95.3Very high94.1Very high8 Ų820.8 Ų20.87%0.06614%0.135CC..  trans-60.2169.7-177.300000113.3V18 K20 S65 E96A15-V18 HydrophobicContact CB-CG1 3.85Å; A15-V18 WeakPolarHBondContact O-CG2 3.49Å; A15-K20 PolarHBondContact O-NZ 3.06Å; A15-S65 WeakPolarHBondContact CA-OG 3.27Å; A15-E96 VanDerWaalsContact CB-OE2 3.29Å; A15-E96 WeakPolarHBondContact CB-OE2 3.25Å
16G93.6Very high95.7Very high37 Ų3719.9 Ų19.938%0.38112%0.122SC..THydrogen-bonded Turntrans-58142169.900000111.4V18G16-V18 PolarHBondContact O-N 2.97Å; G16-V18 VanDerWaalsContact O-N 3.1Å
17G93.8Very high96.4Very high31 Ų3117.8 Ų17.832%0.3211%0.109SC..THydrogen-bonded Turntrans72-0.3172.200000117.6G19 K122G17-G19 PolarHBondContact O-N 3.46Å; G17-K122 VanDerWaalsContact O-CE 3.27Å; G17-K122 WeakPolarHBondContact O-CE 3.02Å; G17-K122 PolarHBondContact O-NZ 2.84Å
18V96.8Very high96.6Very high3 Ų318.6 Ų18.62%0.01812%0.115CC..SBendtrans-70.9-15.2177.4-56.50000113.7A15 G16 K20 V85 N121A15-V18 HydrophobicContact CB-CG1 3.85Å; A15-V18 WeakPolarHBondContact O-CG2 3.49Å; G16-V18 PolarHBondContact O-N 2.97Å; G16-V18 VanDerWaalsContact O-N 3.1Å; V18-K20 HydrophobicContact CG2-CG 3.74Å; V18-V85 HydrophobicContact CB-CG1 4.32Å; V18-V85 HydrophobicContact CG2-CB 4.02Å; V18-V85 HydrophobicContact CG2-CG1 3.85Å; V18-N121 PolarHBondContact O-ND2 2.85Å
19G96.8Very high96.5Very high12 Ų1224.7 Ų24.712%0.12414%0.142CC..SBendtrans99.225.6175.600000115.9G17 S22 L23G17-G19 PolarHBondContact O-N 3.46Å; G19-S22 WeakPolarHBondContact O-CB 3.46Å; G19-S22 PolarHBondContact O-N 2.74Å; G19-L23 PolarHBondContact O-N 3.1Å
20K97.1Very high96.3Very high11 Ų1123.3 Ų23.35%0.04815%0.151CC..Hα-helixtrans-50.8-58.1172.6-57.8-173.2-62-72.40112V12 G14 A15 V18 S22 L23 V24 D61 T62 G64 V85V12-K20 HydrophobicContact CG1-CB 3.89Å; V12-K20 HydrophobicContact CG1-CD 4.21Å; V12-K20 HydrophobicContact CG1-CG 3.98Å; G14-K20 PolarHBondContact O-NZ 3.44Å; A15-K20 PolarHBondContact O-NZ 3.06Å; V18-K20 HydrophobicContact CG2-CG 3.74Å; K20-S22 VanDerWaalsContact C-N 3.28Å; K20-S22 PolarHBondContact O-N 3.06Å; K20-L23 WeakPolarHBondContact O-CB 3.34Å; K20-L23 PolarHBondContact O-N 3.39Å; K20-L23 VanDerWaalsContact O-N 3.12Å; K20-V24 WeakPolarHBondContact O-CG2 3.2Å; K20-V24 PolarHBondContact O-N 3.05Å; K20-D61 VanDerWaalsContact CB-OD1 3.3Å; K20-D61 WeakPolarHBondContact CB-OD1 3.29Å; K20-T62 WeakPolarHBondContact CE-O 3.48Å; K20-G64 VanDerWaalsContact NZ-CA 3.34Å; K20-V85 HydrophobicContact CG-CB 4.19Å; K20-V85 HydrophobicContact CG-CG2 4.29Å
21S96.2Very high96.1Very high24 Ų2426.2 Ų26.217%0.16817%0.169CC..Hα-helixtrans-60.2-37.8178.3-410000112.4V24 L25 T39 D61S21-V24 PolarHBondContact O-N 2.53Å; S21-L25 WeakPolarHBondContact O-CB 3.13Å; S21-L25 VanDerWaalsContact O-CG 3.24Å; S21-L25 WeakPolarHBondContact O-CG 3.35Å; S21-L25 PolarHBondContact O-N 2.96Å; S21-T39 PolarHBondContact OG-OG1 2.88Å; S21-D61 WeakPolarHBondContact CA-OD2 3.41Å; S21-D61 WeakPolarHBondContact CB-OD2 3.49Å; S21-D61 PolarHBondContact N-OD1 2.99Å; S21-D61 PolarHBondContact OG-OD1 3.02Å; S21-D61 PolarHBondContact OG-OD2 2.84Å
22S97.1Very high95.8Very high33 Ų3328.8 Ų28.823%0.23118%0.18CC..Hα-helixtrans-64.4-41.7176.5-52.70000111.9G19 K20 R26G19-S22 WeakPolarHBondContact O-CB 3.46Å; G19-S22 PolarHBondContact O-N 2.74Å; K20-S22 VanDerWaalsContact C-N 3.28Å; K20-S22 PolarHBondContact O-N 3.06Å; S22-R26 WeakPolarHBondContact O-CB 3.15Å; S22-R26 PolarHBondContact O-N 2.84Å
23L98.3Very high95.3Very high2 Ų236.5 Ų36.51%0.0121%0.209CC..Hα-helixtrans-64.2-48.2174.7-75.7170.1000111.2G19 K20 R26 F27 V85 V119 N121 T149 A151 V157 L160G19-L23 PolarHBondContact O-N 3.1Å; K20-L23 WeakPolarHBondContact O-CB 3.34Å; K20-L23 PolarHBondContact O-N 3.39Å; K20-L23 VanDerWaalsContact O-N 3.12Å; L23-R26 PolarHBondContact O-N 2.77Å; L23-F27 VanDerWaalsContact O-CB 3.29Å; L23-F27 WeakPolarHBondContact O-CB 3.23Å; L23-F27 PolarHBondContact O-N 3.06Å; L23-V85 HydrophobicContact CD1-CG1 3.93Å; L23-V85 HydrophobicContact CD1-CG2 4.07Å; L23-V119 HydrophobicContact CD1-CG1 4.16Å; L23-N121 HydrophobicContact CD1-CB 4.22Å; L23-T149 HydrophobicContact CD2-CG2 4.46Å; L23-A151 HydrophobicContact CD2-CB 3.93Å; L23-A151 HydrophobicContact CG-CB 4.14Å; L23-V157 HydrophobicContact CD2-CG2 4.03Å; L23-L160 HydrophobicContact CD1-CD2 4.38Å
24V97.3Very high94.7Very high0 Ų042.7 Ų42.70%024%0.242CC..Hα-helixtrans-63.8-46.5-179.1178.60000111.3V12 K20 S21 F27 V28 Y44 I59 D61V12-V24 HydrophobicContact CG2-CG2 3.91Å; K20-V24 WeakPolarHBondContact O-CG2 3.2Å; K20-V24 PolarHBondContact O-N 3.05Å; S21-V24 PolarHBondContact O-N 2.53Å; V24-F27 PolarHBondContact O-N 2.99Å; V24-V28 HydrophobicContact CG1-CG2 4.28Å; V24-V28 WeakPolarHBondContact O-CB 3.5Å; V24-V28 VanDerWaalsContact O-CG2 3.29Å; V24-V28 WeakPolarHBondContact O-CG2 3.25Å; V24-V28 PolarHBondContact O-N 2.97Å; V24-Y44 HydrophobicContact CG1-CD2 3.3Å; V24-Y44 HydrophobicContact CG1-CE2 3.72Å; V24-Y44 HydrophobicContact CG1-CG 3.78Å; V24-I59 HydrophobicContact CG1-CB 4.43Å; V24-I59 HydrophobicContact CG1-CG2 3.92Å; V24-I59 HydrophobicContact CG2-CG2 3.79Å; V24-D61 HydrophobicContact CG2-CB 4.29Å
25L95.8Very high94.1Very high29 Ų2947.8 Ų47.815%0.15227%0.272CS..Hα-helixtrans-67.1-38.4177.6-72.6172.4000112.4S21 F27 K29 G30 T31 Y44S21-L25 WeakPolarHBondContact O-CB 3.13Å; S21-L25 VanDerWaalsContact O-CG 3.24Å; S21-L25 WeakPolarHBondContact O-CG 3.35Å; S21-L25 PolarHBondContact O-N 2.96Å; L25-F27 VanDerWaalsContact C-N 3.3Å; L25-F27 PolarHBondContact O-N 3.43Å; L25-K29 HydrophobicContact CD2-CD 3.95Å; L25-K29 WeakPolarHBondContact O-CA 3.25Å; L25-K29 WeakPolarHBondContact O-CB 3.18Å; L25-K29 PolarHBondContact O-N 3.39Å; L25-G30 PolarHBondContact O-N 3.19Å; L25-T31 CarbonylContact C-O 3.5Å; L25-Y44 HydrophobicContact CD2-CE1 3.69Å; L25-Y44 WeakPolarHBondContact CD2-OH 3.13Å
26R97.4Very high93.3Very high45 Ų4554 Ų5417%0.1730%0.295CS..Hα-helixtrans-62.9-42.9176178.261.879-177.217.7110.4S22 L23 G30 T31 A151 K152 N154 V157S22-R26 WeakPolarHBondContact O-CB 3.15Å; S22-R26 PolarHBondContact O-N 2.84Å; L23-R26 PolarHBondContact O-N 2.77Å; R26-G30 PolarHBondContact NH1-O 2.75Å; R26-G30 WeakPolarHBondContact O-CA 3.27Å; R26-G30 PolarHBondContact O-N 3.24Å; R26-T31 WeakPolarHBondContact CA-O 3.31Å; R26-T31 PolarHBondContact N-O 3.34Å; R26-A151 PolarHBondContact NE-O 3.21Å; R26-A151 PolarHBondContact NH2-O 3.17Å; R26-K152 PolarHBondContact NH2-O 2.64Å; R26-N154 VanDerWaalsContact CD-OD1 3.31Å; R26-N154 WeakPolarHBondContact CD-OD1 3.35Å; R26-N154 HydrophobicContact CG-CB 4.34Å; R26-N154 WeakPolarHBondContact CG-OD1 3.07Å; R26-V157 HydrophobicContact CB-CG1 4.13Å; R26-V157 HydrophobicContact CG-CB 4.25Å; R26-V157 HydrophobicContact CG-CG1 3.88Å; R26-V157 HydrophobicContact CG-CG2 4Å
27F97.1Very high92.7Very high25 Ų2557.5 Ų57.511%0.1130%0.304CS..Hα-helixtrans-65.6-50.8177.5175.1-111000113L23 V24 L25 L57 I59 V157 F161 L175L23-F27 VanDerWaalsContact O-CB 3.29Å; L23-F27 WeakPolarHBondContact O-CB 3.23Å; L23-F27 PolarHBondContact O-N 3.06Å; V24-F27 PolarHBondContact O-N 2.99Å; L25-F27 VanDerWaalsContact C-N 3.3Å; L25-F27 PolarHBondContact O-N 3.43Å; F27-L57 HydrophobicContact CE1-CD2 4.21Å; F27-L57 HydrophobicContact CZ-CD2 4.41Å; F27-I59 HydrophobicContact CD1-CD1 3.58Å; F27-I59 HydrophobicContact CE1-CD1 3.49Å; F27-I59 VanDerWaalsContact CE1-CD1 3.49Å; F27-V157 HydrophobicContact CB-CG1 3.86Å; F27-F161 HydrophobicContact CB-CD2 3.82Å; F27-F161 HydrophobicContact CB-CE2 3.43Å; F27-F161 VanDerWaalsContact CB-CE2 3.43Å; F27-F161 HydrophobicContact CB-CZ 4.14Å; F27-F161 HydrophobicContact CD1-CD1 4.16Å; F27-F161 AromaticContact CD1-CD2 3.75Å; F27-F161 HydrophobicContact CD1-CD2 3.75Å; F27-F161 HydrophobicContact CD1-CE1 4.19Å; F27-F161 AromaticContact CD1-CE2 3.8Å; F27-F161 HydrophobicContact CD1-CE2 3.8Å; F27-F161 AromaticContact CD1-CG 3.96Å; F27-F161 HydrophobicContact CD1-CG 3.96Å; F27-F161 HydrophobicContact CD1-CZ 4.02Å; F27-F161 HydrophobicContact CD2-CB 4.18Å; F27-F161 AromaticContact CD2-CD2 3.32Å; F27-F161 HydrophobicContact CD2-CD2 3.32Å; F27-F161 AromaticContact CD2-CE2 3.9Å; F27-F161 HydrophobicContact CD2-CE2 3.9Å; F27-F161 AromaticContact CD2-CG 3.9Å; F27-F161 HydrophobicContact CD2-CG 3.9Å; F27-F161 HydrophobicContact CE1-CB 4.29Å; F27-F161 HydrophobicContact CE1-CD1 4.09Å; F27-F161 HydrophobicContact CE1-CD2 4.14Å; F27-F161 HydrophobicContact CE1-CE1 4.49Å; F27-F161 AromaticContact CE1-CG 3.91Å; F27-F161 HydrophobicContact CE1-CG 3.91Å; F27-F161 HydrophobicContact CE2-CB 3.66Å; F27-F161 AromaticContact CE2-CD2 3.73Å; F27-F161 HydrophobicContact CE2-CD2 3.73Å; F27-F161 AromaticContact CE2-CG 3.82Å; F27-F161 HydrophobicContact CE2-CG 3.82Å; F27-F161 AromaticContact CG-CD2 3.32Å; F27-F161 HydrophobicContact CG-CD2 3.32Å; F27-F161 AromaticContact CG-CE2 3.42Å; F27-F161 HydrophobicContact CG-CE2 3.42Å; F27-F161 VanDerWaalsContact CG-CE2 3.42Å; F27-F161 AromaticContact CG-CG 3.95Å; F27-F161 HydrophobicContact CG-CG 3.95Å; F27-F161 HydrophobicContact CG-CZ 4.09Å; F27-F161 HydrophobicContact CZ-CB 3.72Å; F27-F161 HydrophobicContact CZ-CD1 4.37Å; F27-F161 HydrophobicContact CZ-CD2 4.11Å; F27-F161 AromaticContact CZ-CG 3.81Å; F27-F161 HydrophobicContact CZ-CG 3.81Å; F27-L175 HydrophobicContact CE2-CD1 3.67Å; F27-L175 HydrophobicContact CE2-CD2 4.13Å; F27-L175 HydrophobicContact CZ-CD1 4.06Å; F27-L175 HydrophobicContact CZ-CD2 3.62Å; F27-L175 HydrophobicContact CZ-CG 4.49Å
28V94.9Very high92.1Very high37 Ų3760.4 Ų60.422%0.22432%0.317CS..Hα-helixtrans-79-40.8-1721770000112.3V24 Y44 I59V24-V28 HydrophobicContact CG1-CG2 4.28Å; V24-V28 WeakPolarHBondContact O-CB 3.5Å; V24-V28 VanDerWaalsContact O-CG2 3.29Å; V24-V28 WeakPolarHBondContact O-CG2 3.25Å; V24-V28 PolarHBondContact O-N 2.97Å; V28-Y44 HydrophobicContact CG1-CD1 4.25Å; V28-Y44 HydrophobicContact CG2-CG 4.37Å; V28-I59 HydrophobicContact CG2-CD1 4.24Å
29K93.4Very high91.5Very high131 Ų13161.4 Ų61.457%0.5732%0.323SS*.Hα-helixtrans-112.7-8.7-171.2-59.7-172.5-176.7175.60113.5L25 T31L25-K29 HydrophobicContact CD2-CD 3.95Å; L25-K29 WeakPolarHBondContact O-CA 3.25Å; L25-K29 WeakPolarHBondContact O-CB 3.18Å; L25-K29 PolarHBondContact O-N 3.39Å; K29-T31 HydrophobicContact CB-CG2 4.24Å; K29-T31 PolarHBondContact O-N 2.99Å
30G93.8Very high90.8Very high47 Ų4766.9 Ų66.949%0.48535%0.354SS..SBendtrans68.911-173.500000113.4L25 R26L25-G30 PolarHBondContact O-N 3.19Å; R26-G30 PolarHBondContact NH1-O 2.75Å; R26-G30 WeakPolarHBondContact O-CA 3.27Å; R26-G30 PolarHBondContact O-N 3.24Å
31T92.7Very high90.2Very high63 Ų6369.8 Ų69.839%0.38737%0.368SS..  trans-108.3149.6-174.258.90000112.3L25 R26 K29L25-T31 CarbonylContact C-O 3.5Å; R26-T31 WeakPolarHBondContact CA-O 3.31Å; R26-T31 PolarHBondContact N-O 3.34Å; K29-T31 HydrophobicContact CB-CG2 4.24Å; K29-T31 PolarHBondContact O-N 2.99Å
32F93.1Very high89.9Confident58 Ų5872.6 Ų72.625%0.25438%0.381SS..  trans-131.5149.5170.1175.4-95.7000109.9D34 A151 K152F32-D34 WeakPolarHBondContact CE1-OD1 3.33Å; F32-A151 HydrophobicContact CD2-CB 4.2Å; F32-A151 HydrophobicContact CE2-CB 4.26Å; F32-K152 HydrophobicContact CD1-CG 4.38Å; F32-K152 HydrophobicContact CD2-CB 4.47Å; F32-K152 HydrophobicContact CE1-CB 4.07Å; F32-K152 HydrophobicContact CE1-CG 3.78Å; F32-K152 HydrophobicContact CE2-CB 3.92Å; F32-K152 HydrophobicContact CZ-CB 3.7Å; F32-K152 HydrophobicContact CZ-CG 3.88Å
33R87.8Confident89.7Confident164 Ų16474.1 Ų74.162%0.61939%0.389SS*.  trans-131.2128.8177.5-64.7-179.7178.8175.6-2.6108T35R33-T35 VanDerWaalsContact C-N 3.31Å
34D83.3Confident89.6Confident133 Ų13375.6 Ų75.671%0.71140%0.395SS*.SBendtrans-72-27.8175-69.8-73.6000112.2F32 Y36F32-D34 WeakPolarHBondContact CE1-OD1 3.33Å; D34-Y36 PolarHBondContact O-N 3.49Å
35T84.1Confident89.5Confident110 Ų11082.6 Ų82.668%0.67542%0.421SS*.SBendtrans-75.2124.6-179.8-44.50000111.4R33 I37R33-T35 VanDerWaalsContact C-N 3.31Å; T35-I37 PolarHBondContact O-N 3.35Å
36Y79.7Confident89.3Confident139 Ų13983.9 Ų83.955%0.54543%0.427SS..  trans-77.3118.7173.4-179.5-115000111.1D34 P38D34-Y36 PolarHBondContact O-N 3.49Å; Y36-P38 HydrophobicContact CD1-CG 4.41Å; Y36-P38 HydrophobicContact CE1-CB 4.44Å; Y36-P38 HydrophobicContact CE1-CG 3.84Å
37I80.9Confident89.2Confident111 Ų11185.9 Ų85.957%0.56944%0.444SS*.  trans-114.2118.3168.5-58.3176000106.6T35 T39T35-I37 PolarHBondContact O-N 3.35Å; I37-T39 PolarHBondContact O-N 2.92Å
38P81.4Confident89.1Confident92 Ų9284.7 Ų84.760%0.59744%0.438SS*.  trans-55.3132.4176.5-25.333.7000111.7Y36Y36-P38 HydrophobicContact CD1-CG 4.41Å; Y36-P38 HydrophobicContact CE1-CB 4.44Å; Y36-P38 HydrophobicContact CE1-CG 3.84Å
39T82.8Confident89Confident23 Ų2383.6 Ų83.614%0.14143%0.432CS..  trans-91.2141.5178.9-61.70000110.7S21 I37 T63S21-T39 PolarHBondContact OG-OG1 2.88Å; I37-T39 PolarHBondContact O-N 2.92Å; T39-T63 WeakPolarHBondContact O-CA 3.41Å; T39-T63 WeakPolarHBondContact O-CB 3.23Å; T39-T63 PolarHBondContact O-OG1 2.78Å
40V82.2Confident88.9Confident128 Ų12877.4 Ų77.478%0.77641%0.406SS*.  trans-88.3-73.3171.4-179.10000108.8T63V40-T63 WeakPolarHBondContact O-CB 3.39Å; V40-T63 PolarHBondContact O-N 2.94Å; V40-T63 VanDerWaalsContact O-N 3.14Å
41E84.4Confident88.6Confident71 Ų7179.2 Ų79.233%0.33240%0.404SS..EExtended strand (participates in β ladder)trans-168.2128.7166-174.8174.5108.300106.2T60 D61 Q67E41-T60 HydrophobicContact CG-CG2 3.84Å; E41-D61 WeakPolarHBondContact CA-O 3.25Å; E41-Q67 PolarHBondContact OE2-NE2 3.33Å
42D89.9Confident88.2Confident83 Ų8386.7 Ų86.744%0.44443%0.431SS..EExtended strand (participates in β ladder)trans-128.8141177.3-82.7-43.6000110Y44 T60 D61D42-Y44 HydrophobicContact CB-CD2 4.38Å; D42-Y44 HydrophobicContact CB-CE2 3.58Å; D42-T60 CarbonylContact O-C 3.6Å; D42-T60 WeakPolarHBondContact O-CA 3.29Å; D42-D61 PolarHBondContact N-O 3.44Å; D42-D61 PolarHBondContact O-N 3.3Å
43T94.1Very high87.9Confident65 Ų6587.5 Ų87.540%0.39944%0.444SS..EExtended strand (participates in β ladder)trans-115.3120.3173.6-63.60000110.4Q58 I59 T60T43-Q58 HydrophobicContact CG2-CB 4.13Å; T43-I59 CarbonylContact C-O 3.55Å; T43-I59 WeakPolarHBondContact CA-O 3.28Å; T43-T60 PolarHBondContact OG1-OG1 3.45Å
44Y95.1Very high88.1Confident34 Ų3483.1 Ų83.113%0.13344%0.435CS..EExtended strand (participates in β ladder)trans-99.9151.6177-60.4-95000110.2V24 L25 V28 D42 Q58 I59 D61V24-Y44 HydrophobicContact CG1-CD2 3.3Å; V24-Y44 HydrophobicContact CG1-CE2 3.72Å; V24-Y44 HydrophobicContact CG1-CG 3.78Å; L25-Y44 HydrophobicContact CD2-CE1 3.69Å; L25-Y44 WeakPolarHBondContact CD2-OH 3.13Å; V28-Y44 HydrophobicContact CG1-CD1 4.25Å; V28-Y44 HydrophobicContact CG2-CG 4.37Å; D42-Y44 HydrophobicContact CB-CD2 4.38Å; D42-Y44 HydrophobicContact CB-CE2 3.58Å; Y44-Q58 CarbonylContact O-C 3.35Å; Y44-Q58 WeakPolarHBondContact O-CA 3.44Å; Y44-I59 PolarHBondContact N-O 2.99Å; Y44-I59 PolarHBondContact O-N 3.42Å; Y44-D61 HydrophobicContact CE2-CB 4.16Å
45R95Very high88.6Confident146 Ų14677 Ų7755%0.55140%0.403SS*.EExtended strand (participates in β ladder)trans-127134.7-177.9-66.8175.7-178.4-89.6-7.6110.3D7 T56 L57 Q58D7-R45 IonicContact OD2-NH1 3.47Å; D7-R45 PolarHBondContact OD2-NH1 3.15Å; R45-T56 HydrophobicContact CB-CG2 3.9Å; R45-T56 HydrophobicContact CG-CG2 4Å; R45-L57 CarbonylContact C-O 3.6Å; R45-L57 VanDerWaalsContact CA-O 3.3Å; R45-L57 WeakPolarHBondContact CA-O 3.06Å; R45-Q58 HydrophobicContact CG-CG 4.41Å; R45-Q58 VanDerWaalsContact CZ-NE2 3.28Å
46Q93.2Very high89.1Confident57 Ų5773.7 Ų73.727%0.26638%0.383SS..EExtended strand (participates in β ladder)trans-136.6142.6171-163.8170.454.900109.8L57Q46-L57 PolarHBondContact N-O 3.41Å; Q46-L57 WeakPolarHBondContact O-CB 3.43Å; Q46-L57 PolarHBondContact O-N 2.81Å
47V94.1Very high89.9Confident87 Ų8767.1 Ų67.153%0.52736%0.357SS..EExtended strand (participates in β ladder)trans-83127.6173.8-178.30000108.3V54 V177V47-V54 HydrophobicContact CG1-CB 3.89Å; V47-V54 HydrophobicContact CG1-CG1 4.1Å; V47-V54 HydrophobicContact CG1-CG2 4.5Å; V47-V177 HydrophobicContact CG1-CG2 4.19Å
48I94.5Very high90.7Very high0 Ų062.7 Ų62.70%033%0.334CS..EExtended strand (participates in β ladder)trans-127.1161179.462.7164000110.4V54 C55 L57 L165 M173 S174 L175I48-V54 CarbonylContact O-C 3.55Å; I48-V54 VanDerWaalsContact O-CA 3.27Å; I48-V54 WeakPolarHBondContact O-CA 3.33Å; I48-C55 WeakPolarHBondContact CG1-SG 3.27Å; I48-C55 PolarHBondContact N-O 3.29Å; I48-C55 PolarHBondContact O-N 3.27Å; I48-L57 HydrophobicContact CD1-CB 3.95Å; I48-L57 HydrophobicContact CD1-CD1 4.48Å; I48-L57 HydrophobicContact CG1-CB 4.08Å; I48-L57 HydrophobicContact CG2-CB 3.85Å; I48-L57 HydrophobicContact CG2-CD2 4.12Å; I48-L165 HydrophobicContact CD1-CD1 3.92Å; I48-L165 HydrophobicContact CD1-CD2 3.9Å; I48-M173 HydrophobicContact CD1-CB 4.34Å; I48-M173 HydrophobicContact CD1-CG 4.46Å; I48-M173 HydrophobicContact CD1-SD 4.25Å; I48-S174 WeakPolarHBondContact CB-O 3.31Å; I48-L175 HydrophobicContact CG2-CD2 3.94Å
49S92.9Very high91.5Very high14 Ų1458.4 Ų58.410%0.09831%0.306CS..EExtended strand (participates in β ladder)trans-74.6138.1170.41790000110.2S53 M173 S174 S176S49-S53 WeakPolarHBondContact CA-O 3.29Å; S49-M173 VanDerWaalsContact O-CA 3.25Å; S49-M173 WeakPolarHBondContact O-CA 3.4Å; S49-S174 PolarHBondContact N-O 3.15Å; S49-S174 PolarHBondContact O-N 3Å; S49-S176 WeakPolarHBondContact CB-O 3.36Å
50C91.6Very high92.1Very high1 Ų158.1 Ų58.11%0.00730%0.304CS..EExtended strand (participates in β ladder)trans-149.5116.9178.8-172.50000110.1K52 S53 C55 N172 M173C50-K52 VanDerWaalsContact C-N 3.29Å; C50-K52 PolarHBondContact O-N 3.29Å; C50-S53 PolarHBondContact N-O 2.84Å; C50-S53 CarbonylContact O-C 3.59Å; C50-S53 WeakPolarHBondContact O-CA 3.43Å; C50-S53 PolarHBondContact O-N 2.84Å; C50-C55 HydrophobicContact CB-CB 3.74Å; C50-C55 VanDerWaalsContact CB-SG 3.51Å; C50-N172 CarbonylContact C-O 3.58Å; C50-N172 VanDerWaalsContact CA-O 3.32Å; C50-N172 WeakPolarHBondContact CA-O 3.42Å; C50-M173 HydrophobicContact CB-CG 4.14Å
51D87.1Confident92.7Very high85 Ų8552 Ų5246%0.45527%0.267SS..THydrogen-bonded Turntrans49.743.8175.1-58.3-44.3000114.1S53 N172D51-S53 PolarHBondContact O-N 2.86Å; D51-N172 PolarHBondContact N-O 2.97Å; D51-N172 PolarHBondContact OD1-N 3.07Å
52K83.9Confident93Very high219 Ų21948.7 Ų48.795%0.95225%0.252SS*.THydrogen-bonded Turntrans699-175.9-47.5172.9-178.2174.60115.1C50C50-K52 VanDerWaalsContact C-N 3.29Å; C50-K52 PolarHBondContact O-N 3.29Å
53S88.7Confident92.8Very high75 Ų7546.1 Ų46.152%0.52424%0.239SC..EExtended strand (participates in β ladder)trans-120.2-162170.2-167.50000109.6S49 C50 D51S49-S53 WeakPolarHBondContact CA-O 3.29Å; C50-S53 PolarHBondContact N-O 2.84Å; C50-S53 CarbonylContact O-C 3.59Å; C50-S53 WeakPolarHBondContact O-CA 3.43Å; C50-S53 PolarHBondContact O-N 2.84Å; D51-S53 PolarHBondContact O-N 2.86Å
54V90.8Very high91.9Very high72 Ų7243.6 Ų43.644%0.43623%0.226SC..EExtended strand (participates in β ladder)trans-115.8149.4172.9-64.10000111.1V47 I48 V177V47-V54 HydrophobicContact CG1-CB 3.89Å; V47-V54 HydrophobicContact CG1-CG1 4.1Å; V47-V54 HydrophobicContact CG1-CG2 4.5Å; I48-V54 CarbonylContact O-C 3.55Å; I48-V54 VanDerWaalsContact O-CA 3.27Å; I48-V54 WeakPolarHBondContact O-CA 3.33Å; V54-V177 HydrophobicContact CG1-CG1 3.7Å
55C93.1Very high90.6Very high6 Ų645.4 Ų45.44%0.04124%0.243CC..EExtended strand (participates in β ladder)trans-137.4166.116781.30000111N6 I48 C50N6-C55 HydrophobicContact CB-CB 4.1Å; N6-C55 VanDerWaalsContact O-CB 3.27Å; N6-C55 WeakPolarHBondContact O-CB 3.43Å; I48-C55 WeakPolarHBondContact CG1-SG 3.27Å; I48-C55 PolarHBondContact N-O 3.29Å; I48-C55 PolarHBondContact O-N 3.27Å; C50-C55 HydrophobicContact CB-CB 3.74Å; C50-C55 VanDerWaalsContact CB-SG 3.51Å
56T94.9Very high89.4Confident39 Ų3946.1 Ų46.124%0.23925%0.253CS..EExtended strand (participates in β ladder)trans-91.4116.6175.3-50.20000109.5D7 Y8 R45 Q58D7-T56 CarbonylContact C-O 3.57Å; D7-T56 VanDerWaalsContact CA-O 3.25Å; D7-T56 WeakPolarHBondContact CA-O 3.24Å; D7-T56 WeakPolarHBondContact OD1-CB 3.49Å; D7-T56 PolarHBondContact OD1-OG1 3.43Å; Y8-T56 PolarHBondContact N-O 2.88Å; R45-T56 HydrophobicContact CB-CG2 3.9Å; R45-T56 HydrophobicContact CG-CG2 4Å; T56-Q58 HydrophobicContact CG2-CG 4.36Å; T56-Q58 PolarHBondContact O-N 3.06Å
57L96.6Very high88.5Confident1 Ų144.6 Ų44.61%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-75.1111.7162.5-177.659.8000108.8Y8 V10 F27 R45 Q46 I48 I59 L165 L175Y8-L57 HydrophobicContact CD1-CD1 3.93Å; Y8-L57 CarbonylContact O-C 3.59Å; Y8-L57 WeakPolarHBondContact O-CA 3.22Å; V10-L57 HydrophobicContact CG2-CD1 3.66Å; F27-L57 HydrophobicContact CE1-CD2 4.21Å; F27-L57 HydrophobicContact CZ-CD2 4.41Å; R45-L57 CarbonylContact C-O 3.6Å; R45-L57 VanDerWaalsContact CA-O 3.3Å; R45-L57 WeakPolarHBondContact CA-O 3.06Å; Q46-L57 PolarHBondContact N-O 3.41Å; Q46-L57 WeakPolarHBondContact O-CB 3.43Å; Q46-L57 PolarHBondContact O-N 2.81Å; I48-L57 HydrophobicContact CD1-CB 3.95Å; I48-L57 HydrophobicContact CD1-CD1 4.48Å; I48-L57 HydrophobicContact CG1-CB 4.08Å; I48-L57 HydrophobicContact CG2-CB 3.85Å; I48-L57 HydrophobicContact CG2-CD2 4.12Å; L57-I59 HydrophobicContact CD1-CG1 4.5Å; L57-I59 HydrophobicContact CD2-CD1 4.01Å; L57-I59 HydrophobicContact CD2-CG1 4.22Å; L57-I59 HydrophobicContact CG-CD1 4.25Å; L57-I59 HydrophobicContact CG-CG1 3.94Å; L57-L165 HydrophobicContact CD1-CD2 4.15Å; L57-L175 HydrophobicContact CD2-CD2 4.38Å
58Q97.5Very high88Confident19 Ų1948.2 Ų48.29%0.08925%0.254CS..EExtended strand (participates in β ladder)trans-94.5124.7168.6-66.4-172.6-400109.2D7 Y8 R9 V10 T43 Y44 R45 T56D7-Q58 HydrophobicContact CB-CG 4.32Å; D7-Q58 PolarHBondContact OD2-NE2 2.99Å; Y8-Q58 PolarHBondContact O-N 3.41Å; R9-Q58 CarbonylContact C-O 3.34Å; R9-Q58 WeakPolarHBondContact CA-O 3.09Å; R9-Q58 HydrophobicContact CG-CB 4.21Å; V10-Q58 PolarHBondContact N-O 2.85Å; T43-Q58 HydrophobicContact CG2-CB 4.13Å; Y44-Q58 CarbonylContact O-C 3.35Å; Y44-Q58 WeakPolarHBondContact O-CA 3.44Å; R45-Q58 HydrophobicContact CG-CG 4.41Å; R45-Q58 VanDerWaalsContact CZ-NE2 3.28Å; T56-Q58 HydrophobicContact CG2-CG 4.36Å; T56-Q58 PolarHBondContact O-N 3.06Å
59I97.9Very high87.7Confident1 Ų151.5 Ų51.51%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-115.8111177-55.2166.5000107.9V10 V12 V24 F27 V28 T43 Y44 L57 F161V10-I59 HydrophobicContact CB-CG1 4.44Å; V10-I59 CarbonylContact O-C 3.59Å; V10-I59 WeakPolarHBondContact O-CA 3.43Å; V12-I59 HydrophobicContact CG2-CG2 3.82Å; V24-I59 HydrophobicContact CG1-CB 4.43Å; V24-I59 HydrophobicContact CG1-CG2 3.92Å; V24-I59 HydrophobicContact CG2-CG2 3.79Å; F27-I59 HydrophobicContact CD1-CD1 3.58Å; F27-I59 HydrophobicContact CE1-CD1 3.49Å; F27-I59 VanDerWaalsContact CE1-CD1 3.49Å; V28-I59 HydrophobicContact CG2-CD1 4.24Å; T43-I59 CarbonylContact C-O 3.55Å; T43-I59 WeakPolarHBondContact CA-O 3.28Å; Y44-I59 PolarHBondContact N-O 2.99Å; Y44-I59 PolarHBondContact O-N 3.42Å; L57-I59 HydrophobicContact CD1-CG1 4.5Å; L57-I59 HydrophobicContact CD2-CD1 4.01Å; L57-I59 HydrophobicContact CD2-CG1 4.22Å; L57-I59 HydrophobicContact CG-CD1 4.25Å; L57-I59 HydrophobicContact CG-CG1 3.94Å; I59-F161 HydrophobicContact CD1-CD1 3.96Å; I59-F161 HydrophobicContact CD1-CE1 3.61Å; I59-F161 HydrophobicContact CD1-CZ 4.29Å; I59-F161 HydrophobicContact CG1-CE1 4.2Å; I59-F161 HydrophobicContact CG2-CE1 4.14Å
60T96.6Very high87.5Confident17 Ų1754.1 Ų54.110%0.10430%0.298CS..EExtended strand (participates in β ladder)trans-91.1109.8175.8-58.30000109.3V10 V12 E41 D42 T43 T62V10-T60 PolarHBondContact O-N 2.97Å; V12-T60 PolarHBondContact N-O 3.05Å; E41-T60 HydrophobicContact CG-CG2 3.84Å; D42-T60 CarbonylContact O-C 3.6Å; D42-T60 WeakPolarHBondContact O-CA 3.29Å; T43-T60 PolarHBondContact OG1-OG1 3.45Å; T60-T62 HydrophobicContact CG2-CG2 4.28Å
61D93.9Very high87.4Confident0 Ų058 Ų580%032%0.317CS..EExtended strand (participates in β ladder)trans-83.6110.9168.8-176.728.5000108.7K20 S21 V24 E41 D42 Y44K20-D61 VanDerWaalsContact CB-OD1 3.3Å; K20-D61 WeakPolarHBondContact CB-OD1 3.29Å; S21-D61 WeakPolarHBondContact CA-OD2 3.41Å; S21-D61 WeakPolarHBondContact CB-OD2 3.49Å; S21-D61 PolarHBondContact N-OD1 2.99Å; S21-D61 PolarHBondContact OG-OD1 3.02Å; S21-D61 PolarHBondContact OG-OD2 2.84Å; V24-D61 HydrophobicContact CG2-CB 4.29Å; E41-D61 WeakPolarHBondContact CA-O 3.25Å; D42-D61 PolarHBondContact N-O 3.44Å; D42-D61 PolarHBondContact O-N 3.3Å; Y44-D61 HydrophobicContact CE2-CB 4.16Å
62T92Very high87.6Confident2 Ų255.1 Ų55.11%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-86.6158.7-176.973.40000111.2V11 V12 F13 K20 T60V11-T62 HydrophobicContact CG1-CG2 3.73Å; V12-T62 WeakPolarHBondContact O-CG2 3.15Å; V12-T62 PolarHBondContact O-OG1 3.42Å; F13-T62 HydrophobicContact CD1-CG2 3.99Å; F13-T62 HydrophobicContact CE1-CG2 3.81Å; K20-T62 WeakPolarHBondContact CE-O 3.48Å; T60-T62 HydrophobicContact CG2-CG2 4.28Å
63T85.4Confident88Confident28 Ų2851 Ų5117%0.17228%0.28CS..  trans-56.5157.5158.2-164.80000110.4T39 V40 Q67T39-T63 WeakPolarHBondContact O-CA 3.41Å; T39-T63 WeakPolarHBondContact O-CB 3.23Å; T39-T63 PolarHBondContact O-OG1 2.78Å; V40-T63 WeakPolarHBondContact O-CB 3.39Å; V40-T63 PolarHBondContact O-N 2.94Å; V40-T63 VanDerWaalsContact O-N 3.14Å; T63-Q67 VanDerWaalsContact CG2-CA 3.42Å; T63-Q67 HydrophobicContact CG2-CB 3.47Å; T63-Q67 VanDerWaalsContact CG2-CB 3.47Å; T63-Q67 HydrophobicContact CG2-CG 3.88Å
64G75.2Confident88.2Confident12 Ų1251 Ų5112%0.12427%0.273CS..SBendtrans-69.1-136.3176.700000113G14 K20 H66 Q67G14-G64 WeakPolarHBondContact O-CA 3.17Å; K20-G64 VanDerWaalsContact NZ-CA 3.34Å; G64-H66 PolarHBondContact O-N 2.76Å; G64-Q67 PolarHBondContact O-N 3.47Å
65S66.6Low88.4Confident72 Ų7248.1 Ų48.150%0.50326%0.257SS..THydrogen-bonded Turntrans-64.4-0.2-176.1-34.90000114.6A15 E96A15-S65 WeakPolarHBondContact CA-OG 3.27Å; S65-E96 PolarHBondContact OG-OE2 2.91Å
66H70.5Confident88.5Confident162 Ų16247.9 Ų47.975%0.7526%0.255SS*.THydrogen-bonded Turntrans-97.68.6-178.5-58.5-60.2000114.5G64 F68G64-H66 PolarHBondContact O-N 2.76Å; H66-F68 PolarHBondContact O-N 3.39Å
67Q74.7Confident88.5Confident24 Ų2449.4 Ų49.411%0.11227%0.267CS..  trans-70.2132.5179.8-157.8171.926.100110.8E41 T63 G64 M71E41-Q67 PolarHBondContact OE2-NE2 3.33Å; T63-Q67 VanDerWaalsContact CG2-CA 3.42Å; T63-Q67 HydrophobicContact CG2-CB 3.47Å; T63-Q67 VanDerWaalsContact CG2-CB 3.47Å; T63-Q67 HydrophobicContact CG2-CG 3.88Å; G64-Q67 PolarHBondContact O-N 3.47Å; Q67-M71 HydrophobicContact CG-CB 4.18Å
68F83.8Confident88.4Confident163 Ų16354.7 Ų54.772%0.71529%0.29SS*.  trans-58.6130.8172.2-71.8-80.6000110.1H66 A70 M71 Q72H66-F68 PolarHBondContact O-N 3.39Å; F68-A70 PolarHBondContact O-N 2.83Å; F68-M71 HydrophobicContact CB-CB 4.43Å; F68-M71 HydrophobicContact CB-CG 4.21Å; F68-M71 WeakPolarHBondContact O-CA 3.32Å; F68-M71 WeakPolarHBondContact O-CB 3.42Å; F68-M71 PolarHBondContact O-N 3.42Å; F68-Q72 PolarHBondContact O-N 2.99Å; F68-Q72 VanDerWaalsContact O-N 3.07Å
69P87Confident88.3Confident69 Ų6953.8 Ų53.845%0.44829%0.286SS..Hα-helixtrans-55.8-32.8-175.3-3035.3000114.6R73P69-R73 WeakPolarHBondContact O-CG 3.47Å; P69-R73 PolarHBondContact O-N 2.9Å
70A89.1Confident88.2Confident69 Ų6956.8 Ų56.857%0.5730%0.3SS*.Hα-helixtrans-65.6-39.9175.600000112.5F68 R73 L74F68-A70 PolarHBondContact O-N 2.83Å; A70-R73 PolarHBondContact O-N 3.46Å; A70-L74 WeakPolarHBondContact O-CB 3.48Å; A70-L74 PolarHBondContact O-N 3.28Å
71M89.4Confident88.2Confident83 Ų8356 Ų5641%0.40930%0.295SS..Hα-helixtrans-69-43177.1-67.5-61-7000111Q67 F68 R73 L74 S75Q67-M71 HydrophobicContact CG-CB 4.18Å; F68-M71 HydrophobicContact CB-CB 4.43Å; F68-M71 HydrophobicContact CB-CG 4.21Å; F68-M71 WeakPolarHBondContact O-CA 3.32Å; F68-M71 WeakPolarHBondContact O-CB 3.42Å; F68-M71 PolarHBondContact O-N 3.42Å; M71-R73 VanDerWaalsContact C-N 3.34Å; M71-R73 PolarHBondContact O-N 2.95Å; M71-L74 WeakPolarHBondContact O-CB 3.34Å; M71-L74 PolarHBondContact O-N 2.94Å; M71-L74 VanDerWaalsContact O-N 3.14Å; M71-S75 PolarHBondContact O-N 2.76Å; M71-S75 PolarHBondContact O-OG 2.82Å
72Q91.9Very high88.4Confident24 Ų2456 Ų5611%0.11230%0.295CS..Hα-helixtrans-56.2-48.7173.8-177.9-176.3-7.200111.3F13 F68 L74 S75 I76F13-Q72 HydrophobicContact CE1-CG 3.88Å; F13-Q72 HydrophobicContact CZ-CG 4.13Å; F68-Q72 PolarHBondContact O-N 2.99Å; F68-Q72 VanDerWaalsContact O-N 3.07Å; Q72-L74 VanDerWaalsContact C-N 3.31Å; Q72-L74 PolarHBondContact O-N 3.16Å; Q72-S75 PolarHBondContact O-N 3.3Å; Q72-I76 HydrophobicContact CG-CD1 4.01Å; Q72-I76 VanDerWaalsContact O-CG1 3.3Å; Q72-I76 WeakPolarHBondContact O-CG1 3.5Å; Q72-I76 PolarHBondContact O-N 3.11Å
73R92.6Very high88.7Confident133 Ų13356 Ų5650%0.50230%0.295SS..Hα-helixtrans-60.3-39.3176.9-74.6-169.9-98.2-109.31.7112.6P69 A70 M71 I76 S77 I107P69-R73 WeakPolarHBondContact O-CG 3.47Å; P69-R73 PolarHBondContact O-N 2.9Å; A70-R73 PolarHBondContact O-N 3.46Å; M71-R73 VanDerWaalsContact C-N 3.34Å; M71-R73 PolarHBondContact O-N 2.95Å; R73-I76 PolarHBondContact O-N 3.47Å; R73-S77 VanDerWaalsContact O-CB 3.31Å; R73-S77 WeakPolarHBondContact O-CB 3.46Å; R73-S77 PolarHBondContact O-N 2.89Å; R73-I107 HydrophobicContact CB-CD1 4.09Å; R73-I107 HydrophobicContact CG-CD1 3.92Å
74L92.8Very high89.4Confident74 Ų7454.6 Ų54.639%0.38729%0.286SS..Hα-helixtrans-64.8-44.4176.2-175.363.6000111.7A70 M71 Q72 S77 K78A70-L74 WeakPolarHBondContact O-CB 3.48Å; A70-L74 PolarHBondContact O-N 3.28Å; M71-L74 WeakPolarHBondContact O-CB 3.34Å; M71-L74 PolarHBondContact O-N 2.94Å; M71-L74 VanDerWaalsContact O-N 3.14Å; Q72-L74 VanDerWaalsContact C-N 3.31Å; Q72-L74 PolarHBondContact O-N 3.16Å; L74-S77 PolarHBondContact O-N 2.87Å; L74-K78 HydrophobicContact CD1-CD 4.24Å; L74-K78 HydrophobicContact CD1-CG 4.46Å; L74-K78 HydrophobicContact CG-CD 4.22Å; L74-K78 WeakPolarHBondContact O-CB 3.15Å; L74-K78 WeakPolarHBondContact O-CG 3.47Å; L74-K78 PolarHBondContact O-N 2.86Å
75S94.4Very high90.5Very high13 Ų1354 Ų549%0.09128%0.28CS..Hα-helixtrans-63.4-42.2176.8-620000111.3M71 Q72 K78 G79M71-S75 PolarHBondContact O-N 2.76Å; M71-S75 PolarHBondContact O-OG 2.82Å; Q72-S75 PolarHBondContact O-N 3.3Å; S75-K78 PolarHBondContact O-N 2.73Å; S75-G79 PolarHBondContact O-N 2.9Å
76I95Very high92Very high0 Ų050.6 Ų50.60%026%0.257CS..Hα-helixtrans-60.1-52.4171.9-65.3168.5000110.2F13 Q72 R73 K78 G79 F82 Q103 V104 I107 K108F13-I76 HydrophobicContact CE2-CG1 3.81Å; F13-I76 HydrophobicContact CZ-CD1 4.49Å; F13-I76 HydrophobicContact CZ-CG1 3.8Å; Q72-I76 HydrophobicContact CG-CD1 4.01Å; Q72-I76 VanDerWaalsContact O-CG1 3.3Å; Q72-I76 WeakPolarHBondContact O-CG1 3.5Å; Q72-I76 PolarHBondContact O-N 3.11Å; R73-I76 PolarHBondContact O-N 3.47Å; I76-K78 VanDerWaalsContact C-N 3.26Å; I76-K78 PolarHBondContact O-N 3.38Å; I76-G79 PolarHBondContact O-N 2.82Å; I76-F82 HydrophobicContact CB-CE1 4.41Å; I76-F82 HydrophobicContact CG1-CE1 4.38Å; I76-F82 HydrophobicContact CG2-CE1 4.38Å; I76-F82 HydrophobicContact CG2-CZ 4.1Å; I76-F82 WeakPolarHBondContact O-CZ 3.47Å; I76-Q103 HydrophobicContact CD1-CB 3.89Å; I76-V104 HydrophobicContact CD1-CG2 3.94Å; I76-V104 HydrophobicContact CG1-CG2 3.97Å; I76-V104 HydrophobicContact CG2-CB 4.5Å; I76-V104 HydrophobicContact CG2-CG2 4.2Å; I76-I107 HydrophobicContact CB-CD1 3.98Å; I76-I107 HydrophobicContact CD1-CD1 4.24Å; I76-I107 HydrophobicContact CG2-CB 3.75Å; I76-I107 HydrophobicContact CG2-CD1 3.78Å; I76-I107 HydrophobicContact CG2-CG1 4.33Å; I76-I107 HydrophobicContact CG2-CG2 3.81Å; I76-K108 HydrophobicContact CG2-CG 4.41Å; I76-K108 WeakPolarHBondContact O-CE 3.33Å; I76-K108 PolarHBondContact O-NZ 2.95Å
77S94.8Very high93.3Very high71 Ų7143.1 Ų43.150%0.49722%0.222SC..Hα-helixtrans-54.7-42.3-179.3-179.40000112.3R73 L74 K108R73-S77 VanDerWaalsContact O-CB 3.31Å; R73-S77 WeakPolarHBondContact O-CB 3.46Å; R73-S77 PolarHBondContact O-N 2.89Å; L74-S77 PolarHBondContact O-N 2.87Å; S77-K108 PolarHBondContact O-NZ 2.76Å
78K94.4Very high94.5Very high112 Ų11242 Ų4249%0.48722%0.217SC..Hα-helixtrans-81.8-22.1-180-70.8179.4177.8174.40115.3R9 L74 S75 I76R9-K78 WeakPolarHBondContact CD-O 3.33Å; L74-K78 HydrophobicContact CD1-CD 4.24Å; L74-K78 HydrophobicContact CD1-CG 4.46Å; L74-K78 HydrophobicContact CG-CD 4.22Å; L74-K78 WeakPolarHBondContact O-CB 3.15Å; L74-K78 WeakPolarHBondContact O-CG 3.47Å; L74-K78 PolarHBondContact O-N 2.86Å; S75-K78 PolarHBondContact O-N 2.73Å; I76-K78 VanDerWaalsContact C-N 3.26Å; I76-K78 PolarHBondContact O-N 3.38Å
79G96Very high95.2Very high0 Ų036 Ų360%019%0.194CC..  trans-71.9144-176.700000112.7S75 I76 K108S75-G79 PolarHBondContact O-N 2.9Å; I76-G79 PolarHBondContact O-N 2.82Å; G79-K108 WeakPolarHBondContact O-CE 3.36Å; G79-K108 PolarHBondContact O-NZ 2.92Å
80H96Very high95.7Very high64 Ų6434.4 Ų34.430%0.29618%0.184SC..SBendtrans-95.3-33.8173.9-59.7125000111.6D7 Y8 R9D7-H80 PolarHBondContact O-CE1 3.08Å; D7-H80 VanDerWaalsContact O-CE1 3.27Å; Y8-H80 HydrophobicContact CD2-CB 3.96Å; Y8-H80 HydrophobicContact CE1-CB 4.42Å; Y8-H80 HydrophobicContact CE2-CB 3.58Å; R9-H80 PolarHBondContact N-ND1 3.29Å; R9-H80 WeakPolarHBondContact O-CA 3.42Å; R9-H80 WeakPolarHBondContact O-CB 3.27Å; R9-H80 PolarHBondContact O-N 2.96Å
81A97.3Very high96.2Very high0 Ų035.3 Ų35.30%017%0.173CC..EExtended strand (participates in β ladder)trans-140.8158.117800000111.5Y8 R9 V10 V11 P115 L164Y8-A81 HydrophobicContact CE1-CB 3.86Å; R9-A81 PolarHBondContact O-N 2.9Å; R9-A81 VanDerWaalsContact O-N 3.09Å; V10-A81 WeakPolarHBondContact CA-O 3.47Å; V10-A81 HydrophobicContact CG2-CB 4.21Å; V11-A81 PolarHBondContact N-O 3.43Å; A81-P115 WeakPolarHBondContact CA-O 3.38Å; A81-P115 HydrophobicContact CB-CB 3.81Å; A81-P115 HydrophobicContact CB-CG 4.29Å; A81-L164 HydrophobicContact CB-CD1 4.25Å; A81-L164 HydrophobicContact CB-CD2 4Å; A81-L164 HydrophobicContact CB-CG 4.1Å
82F98Very high96.6Very high0 Ų037.1 Ų37.10%018%0.18CC..EExtended strand (participates in β ladder)trans-131.2133.9-173.1-56.6-77000112.2V11 F13 I76 V104 K108 I114 P115 V116 M117V11-F82 HydrophobicContact CB-CD1 4.05Å; V11-F82 HydrophobicContact CB-CE1 4.2Å; V11-F82 HydrophobicContact CG2-CE1 4.33Å; V11-F82 WeakPolarHBondContact O-CA 3.32Å; F13-F82 HydrophobicContact CD2-CD1 4.31Å; F13-F82 AromaticContact CE2-CD1 3.91Å; F13-F82 HydrophobicContact CE2-CD1 3.91Å; F13-F82 HydrophobicContact CE2-CE1 4.26Å; I76-F82 HydrophobicContact CB-CE1 4.41Å; I76-F82 HydrophobicContact CG1-CE1 4.38Å; I76-F82 HydrophobicContact CG2-CE1 4.38Å; I76-F82 HydrophobicContact CG2-CZ 4.1Å; I76-F82 WeakPolarHBondContact O-CZ 3.47Å; F82-V104 HydrophobicContact CD1-CG2 4.21Å; F82-V104 HydrophobicContact CD2-CG1 3.59Å; F82-V104 HydrophobicContact CD2-CG2 4.45Å; F82-V104 HydrophobicContact CE1-CG2 4.49Å; F82-V104 HydrophobicContact CE2-CG1 3.78Å; F82-V104 HydrophobicContact CG-CG1 4.11Å; F82-V104 HydrophobicContact CG-CG2 4.2Å; F82-V104 HydrophobicContact CZ-CG1 4.46Å; F82-K108 HydrophobicContact CE2-CG 4.13Å; F82-K108 HydrophobicContact CZ-CG 4.43Å; F82-I114 HydrophobicContact CD2-CD1 4.02Å; F82-I114 HydrophobicContact CE2-CD1 3.98Å; F82-P115 PolarHBondContact N-O 3.05Å; F82-V116 HydrophobicContact CB-CG2 4.44Å; F82-V116 HydrophobicContact CD2-CG2 4.34Å; F82-V116 WeakPolarHBondContact O-CA 3.41Å; F82-M117 PolarHBondContact O-N 3.47Å
83I98.6Very high96.9Very high2 Ų236.1 Ų36.11%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-110.8123.7169.4-58.5178.4000107.4V10 V11 V12 F13 V85 M117 V119 L160 F161 L164V10-I83 HydrophobicContact CG1-CD1 3.75Å; V10-I83 HydrophobicContact CG1-CG1 3.86Å; V11-I83 PolarHBondContact O-N 3.38Å; V12-I83 WeakPolarHBondContact CA-O 3.26Å; V12-I83 HydrophobicContact CG1-CB 4.3Å; V12-I83 HydrophobicContact CG1-CG2 4.34Å; V12-I83 HydrophobicContact CG2-CB 4.33Å; V12-I83 HydrophobicContact CG2-CD1 4.31Å; F13-I83 PolarHBondContact N-O 3.46Å; I83-V85 HydrophobicContact CG2-CG2 3.68Å; I83-M117 WeakPolarHBondContact CA-O 3.48Å; I83-V119 HydrophobicContact CG2-CB 4.35Å; I83-V119 HydrophobicContact CG2-CG2 3.57Å; I83-L160 HydrophobicContact CD1-CD1 4.32Å; I83-L160 HydrophobicContact CD1-CD2 4.32Å; I83-L160 HydrophobicContact CD1-CG 4.27Å; I83-L160 HydrophobicContact CG2-CD1 4.41Å; I83-L160 HydrophobicContact CG2-CD2 4.44Å; I83-F161 HydrophobicContact CD1-CD1 4.09Å; I83-F161 HydrophobicContact CD1-CE1 3.66Å; I83-F161 HydrophobicContact CD1-CZ 4.11Å; I83-L164 HydrophobicContact CD1-CD2 3.85Å; I83-L164 HydrophobicContact CG1-CD2 3.57Å
84L98.4Very high97.1Very high0 Ų030.4 Ų30.40%016%0.156CC..EExtended strand (participates in β ladder)trans-109.4104.2179.1-56.9-173.4000108.6F13 L97 I100 Y101 V116 M117 L118 V119 W142F13-L84 HydrophobicContact CB-CD2 3.91Å; F13-L84 HydrophobicContact CD2-CD2 4.21Å; L84-L97 HydrophobicContact CB-CD1 3.99Å; L84-L97 HydrophobicContact CB-CD2 3.98Å; L84-L97 HydrophobicContact CB-CG 4.48Å; L84-I100 HydrophobicContact CD2-CG2 4.07Å; L84-Y101 HydrophobicContact CD1-CD2 4.02Å; L84-Y101 HydrophobicContact CD1-CG 4.42Å; L84-V116 HydrophobicContact CD1-CG1 4.02Å; L84-V116 HydrophobicContact CG-CG1 4.23Å; L84-M117 PolarHBondContact N-O 2.88Å; L84-L118 HydrophobicContact CB-CD1 4.29Å; L84-V119 PolarHBondContact O-N 3.43Å; L84-W142 HydrophobicContact CD1-CE3 4.41Å; L84-W142 HydrophobicContact CD1-CZ3 4.07Å
85V98.8Very high97.4Very high0 Ų032.8 Ų32.80%017%0.165CC..EExtended strand (participates in β ladder)trans-100.9129-171.9-170.10000110.8V12 F13 G14 V18 K20 L23 I83 V119 N121V12-V85 HydrophobicContact CG1-CG2 3.67Å; F13-V85 PolarHBondContact O-N 3.32Å; G14-V85 VanDerWaalsContact CA-O 3.27Å; G14-V85 WeakPolarHBondContact CA-O 3.46Å; V18-V85 HydrophobicContact CB-CG1 4.32Å; V18-V85 HydrophobicContact CG2-CB 4.02Å; V18-V85 HydrophobicContact CG2-CG1 3.85Å; K20-V85 HydrophobicContact CG-CB 4.19Å; K20-V85 HydrophobicContact CG-CG2 4.29Å; L23-V85 HydrophobicContact CD1-CG1 3.93Å; L23-V85 HydrophobicContact CD1-CG2 4.07Å; I83-V85 HydrophobicContact CG2-CG2 3.68Å; V85-V119 WeakPolarHBondContact CA-O 3.44Å; V85-V119 HydrophobicContact CG2-CB 4.34Å; V85-N121 HydrophobicContact CG1-CB 3.8Å
86Y98.8Very high97.4Very high0 Ų035 Ų350%017%0.174CC..EExtended strand (participates in β ladder)trans-122.5166.8165.774.8-83000110.2V88 S93 L94 L97 L118 V119 G120 N121 V130 F146Y86-V88 HydrophobicContact CE2-CG1 4.36Å; Y86-S93 WeakPolarHBondContact CB-OG 3.27Å; Y86-L94 HydrophobicContact CD1-CD1 3.74Å; Y86-L94 HydrophobicContact CD2-CB 3.92Å; Y86-L94 HydrophobicContact CD2-CD1 4.44Å; Y86-L94 HydrophobicContact CE1-CD1 3.97Å; Y86-L94 HydrophobicContact CE2-CB 4.5Å; Y86-L94 HydrophobicContact CG-CB 3.98Å; Y86-L94 HydrophobicContact CG-CD1 4Å; Y86-L97 HydrophobicContact CD1-CD1 4.24Å; Y86-L118 HydrophobicContact CD1-CD1 3.89Å; Y86-L118 HydrophobicContact CD1-CG 4.36Å; Y86-L118 HydrophobicContact CE1-CD1 4.1Å; Y86-L118 HydrophobicContact CE1-CD2 4.45Å; Y86-L118 HydrophobicContact CE1-CG 4.07Å; Y86-V119 WeakPolarHBondContact CD1-O 3.2Å; Y86-V119 PolarHBondContact N-O 3.31Å; Y86-G120 VanDerWaalsContact CZ-CA 3.42Å; Y86-N121 PolarHBondContact O-N 2.82Å; Y86-V130 HydrophobicContact CE2-CB 3.98Å; Y86-V130 HydrophobicContact CE2-CG1 3.78Å; Y86-V130 HydrophobicContact CE2-CG2 4.29Å; Y86-F146 HydrophobicContact CE1-CE2 4.23Å
87S98.6Very high97.5Very high4 Ų435 Ų353%0.02817%0.174CC..EExtended strand (participates in β ladder)trans-97.6129.9172.7-1680000109.2T89 S90 S93 K122S87-T89 PolarHBondContact O-N 3.12Å; S87-T89 PolarHBondContact OG-OG1 3.27Å; S87-S90 PolarHBondContact O-N 3.45Å; S87-S93 PolarHBondContact N-OG 3.38Å; S87-S93 PolarHBondContact O-OG 3.23Å; S87-K122 WeakPolarHBondContact OG-CD 3.49Å
88V98.8Very high97.6Very high0 Ų037.2 Ų37.20%017%0.174CC..THydrogen-bonded Turntrans-60.7-19.6175.6-59.70000112.8Y86 S90 N121 K122 R128 E129 V130Y86-V88 HydrophobicContact CE2-CG1 4.36Å; V88-S90 VanDerWaalsContact C-N 3.35Å; V88-N121 PolarHBondContact N-O 2.88Å; V88-K122 WeakPolarHBondContact CG2-O 3.18Å; V88-R128 HydrophobicContact CG2-CG 4.3Å; V88-E129 PolarHBondContact O-N 2.9Å; V88-V130 PolarHBondContact O-N 2.98Å
89T98.5Very high97.6Very high39 Ų3935 Ų3524%0.23917%0.171CC..THydrogen-bonded Turntrans-89.710.1176.371.10000113.7S87 E125S87-T89 PolarHBondContact O-N 3.12Å; S87-T89 PolarHBondContact OG-OG1 3.27Å; T89-E125 HydrophobicContact CG2-CB 3.38Å; T89-E125 HydrophobicContact CG2-CG 3.75Å
90S98.4Very high97.6Very high35 Ų3536.2 Ų36.225%0.24518%0.178CC..  trans-149.6101.4-179.61780000110.8S87 V88 Q92 S93 E129S87-S90 PolarHBondContact O-N 3.45Å; V88-S90 VanDerWaalsContact C-N 3.35Å; S90-Q92 VanDerWaalsContact C-N 3.29Å; S90-Q92 PolarHBondContact O-N 2.91Å; S90-S93 WeakPolarHBondContact O-CB 3.47Å; S90-S93 PolarHBondContact O-N 3.24Å; S90-S93 VanDerWaalsContact O-N 3.12Å; S90-S93 PolarHBondContact O-OG 3.06Å; S90-S93 PolarHBondContact OG-N 3.38Å; S90-E129 VanDerWaalsContact CA-OE2 3.28Å; S90-E129 WeakPolarHBondContact CA-OE2 3.46Å
91R98.3Very high97.6Very high88 Ų8833.9 Ų33.933%0.33217%0.166SC..Hα-helixtrans-60.1-41.2175.8178.5169.4-64-88.6-5.2112.1S93 L94 E95 E129 V130 E134R91-S93 PolarHBondContact O-N 3.42Å; R91-L94 WeakPolarHBondContact O-CB 3.49Å; R91-L94 PolarHBondContact O-N 2.76Å; R91-E95 PolarHBondContact O-N 3.31Å; R91-E129 HydrophobicContact CB-CB 4.24Å; R91-E129 PolarHBondContact N-OE2 2.88Å; R91-E129 PolarHBondContact NE-O 2.84Å; R91-E129 PolarHBondContact NH2-O 2.95Å; R91-V130 HydrophobicContact CB-CG2 3.98Å; R91-V130 HydrophobicContact CG-CG2 4.43Å; R91-E134 IonicContact CZ-OE1 3.19Å; R91-E134 IonicContact CZ-OE2 3.92Å; R91-E134 IonicContact NH1-OE1 2.73Å; R91-E134 PolarHBondContact NH1-OE1 3.06Å; R91-E134 IonicContact NH2-OE1 2.76Å; R91-E134 PolarHBondContact NH2-OE1 2.65Å; R91-E134 IonicContact NH2-OE2 2.87Å; R91-E134 PolarHBondContact NH2-OE2 3.34Å
92Q97.8Very high97.4Very high120 Ų12039 Ų3956%0.56119%0.19SC*.Hα-helixtrans-53.5-39.7175.5-176.8-176.9-14.300111.7S90 L94 E95 E96S90-Q92 VanDerWaalsContact C-N 3.29Å; S90-Q92 PolarHBondContact O-N 2.91Å; Q92-L94 VanDerWaalsContact C-N 3.25Å; Q92-L94 PolarHBondContact O-N 3.1Å; Q92-E95 PolarHBondContact O-N 3.31Å; Q92-E95 VanDerWaalsContact O-N 3.14Å; Q92-E96 HydrophobicContact CG-CG 4.44Å; Q92-E96 PolarHBondContact NE2-OE1 3Å; Q92-E96 WeakPolarHBondContact O-CG 3.32Å; Q92-E96 PolarHBondContact O-N 3.1Å
93S98.2Very high97.3Very high4 Ų441.5 Ų41.53%0.02820%0.202CC..Hα-helixtrans-65.4-26.318075.80000113.9Y86 S87 S90 R91Y86-S93 WeakPolarHBondContact CB-OG 3.27Å; S87-S93 PolarHBondContact N-OG 3.38Å; S87-S93 PolarHBondContact O-OG 3.23Å; S90-S93 WeakPolarHBondContact O-CB 3.47Å; S90-S93 PolarHBondContact O-N 3.24Å; S90-S93 VanDerWaalsContact O-N 3.12Å; S90-S93 PolarHBondContact O-OG 3.06Å; S90-S93 PolarHBondContact OG-N 3.38Å; R91-S93 PolarHBondContact O-N 3.42Å
94L98.5Very high97.1Very high13 Ų1341.5 Ų41.57%0.06820%0.202CC..Hα-helixtrans-75.6-42.5171.5177.360.1000111Y86 R91 Q92 E96 L97 L118 V130 Q138Y86-L94 HydrophobicContact CD1-CD1 3.74Å; Y86-L94 HydrophobicContact CD2-CB 3.92Å; Y86-L94 HydrophobicContact CD2-CD1 4.44Å; Y86-L94 HydrophobicContact CE1-CD1 3.97Å; Y86-L94 HydrophobicContact CE2-CB 4.5Å; Y86-L94 HydrophobicContact CG-CB 3.98Å; Y86-L94 HydrophobicContact CG-CD1 4Å; R91-L94 WeakPolarHBondContact O-CB 3.49Å; R91-L94 PolarHBondContact O-N 2.76Å; Q92-L94 VanDerWaalsContact C-N 3.25Å; Q92-L94 PolarHBondContact O-N 3.1Å; L94-E96 VanDerWaalsContact C-N 3.31Å; L94-E96 PolarHBondContact O-N 3.06Å; L94-L97 HydrophobicContact CD1-CD1 4.35Å; L94-L97 WeakPolarHBondContact O-CB 3.46Å; L94-L97 PolarHBondContact O-N 3.5Å; L94-L97 VanDerWaalsContact O-N 3.13Å; L94-L118 HydrophobicContact CD1-CD1 4.02Å; L94-L118 HydrophobicContact CD1-CD2 4.28Å; L94-V130 HydrophobicContact CD2-CG1 3.95Å; L94-V130 HydrophobicContact CD2-CG2 4.47Å; L94-Q138 HydrophobicContact CD1-CG 4.2Å
95E97.2Very high96.8Very high123 Ų12343.5 Ų43.558%0.57521%0.213SC*.Hα-helixtrans-62.4-38.6179-66.2175.9179.500112R91 Q92 L97 K98R91-E95 PolarHBondContact O-N 3.31Å; Q92-E95 PolarHBondContact O-N 3.31Å; Q92-E95 VanDerWaalsContact O-N 3.14Å; E95-L97 PolarHBondContact O-N 3.1Å; E95-K98 WeakPolarHBondContact O-CB 3.47Å; E95-K98 PolarHBondContact O-N 3.04Å; E95-K98 VanDerWaalsContact O-N 3.15Å
96E95.9Very high96.5Very high61 Ų6147.6 Ų47.629%0.28525%0.246SC..THydrogen-bonded Turntrans-62.5-19.5176.1-76.5-176.6-151.200113.6A15 S65 Q92 L94 P99A15-E96 VanDerWaalsContact CB-OE2 3.29Å; A15-E96 WeakPolarHBondContact CB-OE2 3.25Å; S65-E96 PolarHBondContact OG-OE2 2.91Å; Q92-E96 HydrophobicContact CG-CG 4.44Å; Q92-E96 PolarHBondContact NE2-OE1 3Å; Q92-E96 WeakPolarHBondContact O-CG 3.32Å; Q92-E96 PolarHBondContact O-N 3.1Å; L94-E96 VanDerWaalsContact C-N 3.31Å; L94-E96 PolarHBondContact O-N 3.06Å; E96-P99 WeakPolarHBondContact O-CD 3.46Å; E96-P99 WeakPolarHBondContact O-CG 3.48Å
97L97.1Very high96.3Very high0 Ų050.7 Ų50.70%026%0.262CS..Hα-helixtrans-76.2-24.1176.7-68.9175.5000113.1L84 Y86 L94 E95 I100 Y101 L118 W142L84-L97 HydrophobicContact CB-CD1 3.99Å; L84-L97 HydrophobicContact CB-CD2 3.98Å; L84-L97 HydrophobicContact CB-CG 4.48Å; Y86-L97 HydrophobicContact CD1-CD1 4.24Å; L94-L97 HydrophobicContact CD1-CD1 4.35Å; L94-L97 WeakPolarHBondContact O-CB 3.46Å; L94-L97 PolarHBondContact O-N 3.5Å; L94-L97 VanDerWaalsContact O-N 3.13Å; E95-L97 PolarHBondContact O-N 3.1Å; L97-I100 HydrophobicContact CD2-CD1 4.33Å; L97-I100 WeakPolarHBondContact O-CB 3.35Å; L97-I100 PolarHBondContact O-N 2.8Å; L97-I100 VanDerWaalsContact O-N 3.13Å; L97-Y101 WeakPolarHBondContact O-CB 3.39Å; L97-Y101 PolarHBondContact O-N 3.36Å; L97-L118 HydrophobicContact CD1-CD1 3.61Å; L97-W142 HydrophobicContact CB-CH2 3.79Å; L97-W142 HydrophobicContact CB-CZ3 4.1Å
98K96.3Very high96Very high116 Ų11653.2 Ų53.250%0.50427%0.273SS..Hα-helixtrans-55.1-51.1-177.7-173.7177.9-179.3177.80113.6E95 I100 Y101 Q102 W142E95-K98 WeakPolarHBondContact O-CB 3.47Å; E95-K98 PolarHBondContact O-N 3.04Å; E95-K98 VanDerWaalsContact O-N 3.15Å; K98-I100 VanDerWaalsContact C-N 3.3Å; K98-I100 PolarHBondContact O-N 2.9Å; K98-Y101 PolarHBondContact O-N 3.12Å; K98-Q102 WeakPolarHBondContact O-CG 3.3Å; K98-Q102 PolarHBondContact O-N 2.81Å; K98-W142 HydrophobicContact CB-CH2 4.41Å; K98-W142 HydrophobicContact CB-CZ2 3.91Å; K98-W142 HydrophobicContact CG-CZ2 4.22Å
99P95.2Very high95.2Very high66 Ų6656.3 Ų56.343%0.42930%0.304SS..Hα-helixtrans-63.8-34.2177.324.1-35000112.7E96 Q102 Q103E96-P99 WeakPolarHBondContact O-CD 3.46Å; E96-P99 WeakPolarHBondContact O-CG 3.48Å; P99-Q102 PolarHBondContact O-N 3.28Å; P99-Q103 WeakPolarHBondContact O-CG 3.46Å; P99-Q103 PolarHBondContact O-N 3.17Å
100I94.8Very high94Very high26 Ų2656.8 Ų56.813%0.13331%0.309CS..Hα-helixtrans-65.6-48.2177.4-55.8-178.5000110F13 L84 L97 K98 Q102 Q103 V104F13-I100 HydrophobicContact CB-CD1 4.22Å; F13-I100 HydrophobicContact CB-CG2 3.89Å; F13-I100 HydrophobicContact CD1-CG2 4.36Å; F13-I100 HydrophobicContact CD2-CG2 3.91Å; F13-I100 HydrophobicContact CG-CG2 3.81Å; L84-I100 HydrophobicContact CD2-CG2 4.07Å; L97-I100 HydrophobicContact CD2-CD1 4.33Å; L97-I100 WeakPolarHBondContact O-CB 3.35Å; L97-I100 PolarHBondContact O-N 2.8Å; L97-I100 VanDerWaalsContact O-N 3.13Å; K98-I100 VanDerWaalsContact C-N 3.3Å; K98-I100 PolarHBondContact O-N 2.9Å; I100-Q102 VanDerWaalsContact C-N 3.34Å; I100-Q102 PolarHBondContact O-N 2.99Å; I100-Q103 PolarHBondContact O-N 2.93Å; I100-Q103 VanDerWaalsContact O-N 3.16Å; I100-V104 WeakPolarHBondContact O-CG2 3.38Å; I100-V104 PolarHBondContact O-N 2.65Å
101Y95.6Very high92.4Very high15 Ų1556.2 Ų56.26%0.05931%0.305CS..Hα-helixtrans-57.1-46.3176.8174.6-109.4000111.7L84 L97 K98 Q103 V104 L105 V111 W142L84-Y101 HydrophobicContact CD1-CD2 4.02Å; L84-Y101 HydrophobicContact CD1-CG 4.42Å; L97-Y101 WeakPolarHBondContact O-CB 3.39Å; L97-Y101 PolarHBondContact O-N 3.36Å; K98-Y101 PolarHBondContact O-N 3.12Å; Y101-Q103 VanDerWaalsContact C-N 3.32Å; Y101-Q103 PolarHBondContact O-N 3.19Å; Y101-V104 WeakPolarHBondContact O-CB 3.46Å; Y101-V104 PolarHBondContact O-N 3.42Å; Y101-L105 HydrophobicContact CD1-CD1 4.35Å; Y101-L105 HydrophobicContact CE1-CD1 3.62Å; Y101-L105 HydrophobicContact CE1-CG 4.18Å; Y101-L105 HydrophobicContact CE2-CD1 4.41Å; Y101-L105 HydrophobicContact CE2-CD2 4.11Å; Y101-L105 HydrophobicContact CE2-CG 4.16Å; Y101-L105 WeakPolarHBondContact O-CG 3.49Å; Y101-L105 PolarHBondContact O-N 3.09Å; Y101-V111 HydrophobicContact CE2-CG1 3.94Å; Y101-V111 WeakPolarHBondContact OH-CG1 3.45Å; Y101-W142 HydrophobicContact CD1-CB 4.32Å; Y101-W142 AromaticContact CD1-CD1 3.86Å; Y101-W142 AromaticContact CD1-CD2 3.54Å; Y101-W142 HydrophobicContact CD1-CD2 3.54Å; Y101-W142 AromaticContact CD1-CE2 3.75Å; Y101-W142 HydrophobicContact CD1-CE3 4.03Å; Y101-W142 AromaticContact CD1-CG 3.66Å; Y101-W142 HydrophobicContact CD1-CG 3.66Å; Y101-W142 HydrophobicContact CD1-CZ2 4.45Å; Y101-W142 AromaticContact CD1-NE1 3.87Å; Y101-W142 HydrophobicContact CD2-CD2 4.24Å; Y101-W142 AromaticContact CD2-CE3 3.99Å; Y101-W142 HydrophobicContact CD2-CE3 3.99Å; Y101-W142 HydrophobicContact CE1-CB 3.74Å; Y101-W142 AromaticContact CE1-CD1 3.64Å; Y101-W142 AromaticContact CE1-CD2 3.89Å; Y101-W142 HydrophobicContact CE1-CD2 3.89Å; Y101-W142 AromaticContact CE1-CG 3.46Å; Y101-W142 HydrophobicContact CE1-CG 3.46Å; Y101-W142 VanDerWaalsContact CE1-CG 3.46Å; Y101-W142 HydrophobicContact CE2-CB 4.07Å; Y101-W142 HydrophobicContact CE2-CG 4.38Å; Y101-W142 AromaticContact CG-CD2 3.75Å; Y101-W142 HydrophobicContact CG-CD2 3.75Å; Y101-W142 AromaticContact CG-CE3 3.72Å; Y101-W142 HydrophobicContact CG-CE3 3.72Å; Y101-W142 HydrophobicContact CG-CG 4.21Å; Y101-W142 HydrophobicContact CG-CZ3 4.16Å; Y101-W142 AromaticContact CZ-CG 3.89Å; Y101-W142 PolarHBondContact OH-O 2.97Å
102Q94.5Very high91.1Very high107 Ų10757.2 Ų57.250%0.532%0.317SS..Hα-helixtrans-60.8-38.6176.5-72175.5-24.600112.9K98 P99 I100 L105 A106K98-Q102 WeakPolarHBondContact O-CG 3.3Å; K98-Q102 PolarHBondContact O-N 2.81Å; P99-Q102 PolarHBondContact O-N 3.28Å; I100-Q102 VanDerWaalsContact C-N 3.34Å; I100-Q102 PolarHBondContact O-N 2.99Å; Q102-L105 PolarHBondContact O-N 3.01Å; Q102-A106 WeakPolarHBondContact O-CB 3.39Å; Q102-A106 PolarHBondContact O-N 2.94Å
103Q94.4Very high90Very high53 Ų5354.1 Ų54.125%0.24831%0.311CS..Hα-helixtrans-68-38.8175.1-73.2-178.122.900112.6I76 P99 I100 Y101 L105 A106 I107I76-Q103 HydrophobicContact CD1-CB 3.89Å; P99-Q103 WeakPolarHBondContact O-CG 3.46Å; P99-Q103 PolarHBondContact O-N 3.17Å; I100-Q103 PolarHBondContact O-N 2.93Å; I100-Q103 VanDerWaalsContact O-N 3.16Å; Y101-Q103 VanDerWaalsContact C-N 3.32Å; Y101-Q103 PolarHBondContact O-N 3.19Å; Q103-L105 VanDerWaalsContact C-N 3.3Å; Q103-L105 PolarHBondContact O-N 2.91Å; Q103-A106 PolarHBondContact O-N 3.4Å; Q103-I107 WeakPolarHBondContact O-CG1 3.29Å; Q103-I107 PolarHBondContact O-N 2.8Å
104V94.5Very high89.7Confident1 Ų155 Ų551%0.00632%0.315CS..Hα-helixtrans-56.5-48.4173.81680000109.9I76 F82 I100 Y101 I107 K108 I114 V116I76-V104 HydrophobicContact CD1-CG2 3.94Å; I76-V104 HydrophobicContact CG1-CG2 3.97Å; I76-V104 HydrophobicContact CG2-CB 4.5Å; I76-V104 HydrophobicContact CG2-CG2 4.2Å; F82-V104 HydrophobicContact CD1-CG2 4.21Å; F82-V104 HydrophobicContact CD2-CG1 3.59Å; F82-V104 HydrophobicContact CD2-CG2 4.45Å; F82-V104 HydrophobicContact CE1-CG2 4.49Å; F82-V104 HydrophobicContact CE2-CG1 3.78Å; F82-V104 HydrophobicContact CG-CG1 4.11Å; F82-V104 HydrophobicContact CG-CG2 4.2Å; F82-V104 HydrophobicContact CZ-CG1 4.46Å; I100-V104 WeakPolarHBondContact O-CG2 3.38Å; I100-V104 PolarHBondContact O-N 2.65Å; Y101-V104 WeakPolarHBondContact O-CB 3.46Å; Y101-V104 PolarHBondContact O-N 3.42Å; V104-I107 PolarHBondContact O-N 3.2Å; V104-K108 VanDerWaalsContact O-CB 3.28Å; V104-K108 WeakPolarHBondContact O-CB 3.34Å; V104-K108 WeakPolarHBondContact O-CG 3.3Å; V104-K108 PolarHBondContact O-N 3.27Å; V104-I114 HydrophobicContact CG1-CD1 3.36Å; V104-V116 HydrophobicContact CG1-CG2 4.44Å
105L92.9Very high89.6Confident43 Ų4354.7 Ų54.723%0.22531%0.314CS..Hα-helixtrans-60.4-49.1175.8-65.3-174.4000112.7Y101 Q102 Q103 I107 K108 G109 V111Y101-L105 HydrophobicContact CD1-CD1 4.35Å; Y101-L105 HydrophobicContact CE1-CD1 3.62Å; Y101-L105 HydrophobicContact CE1-CG 4.18Å; Y101-L105 HydrophobicContact CE2-CD1 4.41Å; Y101-L105 HydrophobicContact CE2-CD2 4.11Å; Y101-L105 HydrophobicContact CE2-CG 4.16Å; Y101-L105 WeakPolarHBondContact O-CG 3.49Å; Y101-L105 PolarHBondContact O-N 3.09Å; Q102-L105 PolarHBondContact O-N 3.01Å; Q103-L105 VanDerWaalsContact C-N 3.3Å; Q103-L105 PolarHBondContact O-N 2.91Å; L105-I107 PolarHBondContact O-N 3.31Å; L105-K108 PolarHBondContact O-N 2.95Å; L105-G109 CarbonylContact O-C 3.52Å; L105-G109 WeakPolarHBondContact O-CA 3.38Å; L105-G109 PolarHBondContact O-N 2.89Å; L105-V111 HydrophobicContact CD2-CB 3.92Å; L105-V111 HydrophobicContact CD2-CG1 3.64Å; L105-V111 HydrophobicContact CD2-CG2 3.63Å
106A93.4Very high89.6Confident86 Ų8649 Ų4971%0.71129%0.288SS*.Hα-helixtrans-60-36.3-176.600000112.6Q102 Q103Q102-A106 WeakPolarHBondContact O-CB 3.39Å; Q102-A106 PolarHBondContact O-N 2.94Å; Q103-A106 PolarHBondContact O-N 3.4Å
107I94.4Very high89.7Confident65 Ų6546.1 Ų46.133%0.33328%0.275SS..Hα-helixtrans-84.4-34.8-178.3-66.8168.9000111.9R73 I76 Q103 V104 L105R73-I107 HydrophobicContact CB-CD1 4.09Å; R73-I107 HydrophobicContact CG-CD1 3.92Å; I76-I107 HydrophobicContact CB-CD1 3.98Å; I76-I107 HydrophobicContact CD1-CD1 4.24Å; I76-I107 HydrophobicContact CG2-CB 3.75Å; I76-I107 HydrophobicContact CG2-CD1 3.78Å; I76-I107 HydrophobicContact CG2-CG1 4.33Å; I76-I107 HydrophobicContact CG2-CG2 3.81Å; Q103-I107 WeakPolarHBondContact O-CG1 3.29Å; Q103-I107 PolarHBondContact O-N 2.8Å; V104-I107 PolarHBondContact O-N 3.2Å; L105-I107 PolarHBondContact O-N 3.31Å
108K92.1Very high89.8Confident56 Ų5646.1 Ų46.124%0.24328%0.275CS..Hα-helixtrans-94.7-11.1-175.8-63.9-63.4-164.3-175.30114.3I76 S77 G79 F82 V104 L105 S110 I114I76-K108 HydrophobicContact CG2-CG 4.41Å; I76-K108 WeakPolarHBondContact O-CE 3.33Å; I76-K108 PolarHBondContact O-NZ 2.95Å; S77-K108 PolarHBondContact O-NZ 2.76Å; G79-K108 WeakPolarHBondContact O-CE 3.36Å; G79-K108 PolarHBondContact O-NZ 2.92Å; F82-K108 HydrophobicContact CE2-CG 4.13Å; F82-K108 HydrophobicContact CZ-CG 4.43Å; V104-K108 VanDerWaalsContact O-CB 3.28Å; V104-K108 WeakPolarHBondContact O-CB 3.34Å; V104-K108 WeakPolarHBondContact O-CG 3.3Å; V104-K108 PolarHBondContact O-N 3.27Å; L105-K108 PolarHBondContact O-N 2.95Å; K108-S110 PolarHBondContact O-N 2.95Å; K108-I114 HydrophobicContact CB-CD1 3.72Å; K108-I114 HydrophobicContact CB-CG1 4.28Å; K108-I114 HydrophobicContact CB-CG2 4Å; K108-I114 HydrophobicContact CD-CG2 4.32Å; K108-I114 HydrophobicContact CG-CD1 3.94Å; K108-I114 HydrophobicContact CG-CG2 4.17Å
109G81.8Confident89.9Confident65 Ų6540.6 Ų40.667%0.6725%0.251SS*.SBendtrans92.4-68.9178.500000113.1L105L105-G109 CarbonylContact O-C 3.52Å; L105-G109 WeakPolarHBondContact O-CA 3.38Å; L105-G109 PolarHBondContact O-N 2.89Å
110S73.5Confident90.1Very high49 Ų4937.5 Ų37.534%0.34323%0.23SC..  trans-138.6144.3-178.11780000112.5K108 D112 A113K108-S110 PolarHBondContact O-N 2.95Å; S110-D112 PolarHBondContact O-N 3.2Å; S110-D112 PolarHBondContact OG-N 2.89Å; S110-A113 WeakPolarHBondContact O-CB 3.39Å; S110-A113 PolarHBondContact O-N 2.83Å
111V64.7Low90.3Very high24 Ų2436.4 Ų36.415%0.14523%0.225CC..G310 helixtrans-61.8-31.2173.2-119.30000112.4Y101 L105 A113 I114 V116Y101-V111 HydrophobicContact CE2-CG1 3.94Å; Y101-V111 WeakPolarHBondContact OH-CG1 3.45Å; L105-V111 HydrophobicContact CD2-CB 3.92Å; L105-V111 HydrophobicContact CD2-CG1 3.64Å; L105-V111 HydrophobicContact CD2-CG2 3.63Å; V111-A113 PolarHBondContact O-N 3.37Å; V111-I114 PolarHBondContact O-N 3.32Å; V111-I114 VanDerWaalsContact O-N 3.16Å; V111-I114 VanDerWaalsContact O-O 3.07Å; V111-V116 HydrophobicContact CG1-CG2 4.2Å
112D70.9Confident90.4Very high109 Ų10938.7 Ų38.758%0.58324%0.235SC*.G310 helixtrans-62.3-17.4179.5-62.5-43.5000112.7S110 K169S110-D112 PolarHBondContact O-N 3.2Å; S110-D112 PolarHBondContact OG-N 2.89Å; D112-K169 PolarHBondContact O-NZ 3.05Å
113A75.1Confident90.6Very high54 Ų5435.2 Ų35.245%0.44622%0.222SC..G310 helixtrans-100.5-9.8-176.400000114.5S110 V111S110-A113 WeakPolarHBondContact O-CB 3.39Å; S110-A113 PolarHBondContact O-N 2.83Å; V111-A113 PolarHBondContact O-N 3.37Å
114I90.4Very high90.8Very high23 Ų2335.1 Ų35.112%0.11822%0.224CC..SBendtrans-137.2132-175.249.7155.6000112.7F82 V104 K108 V111 V116F82-I114 HydrophobicContact CD2-CD1 4.02Å; F82-I114 HydrophobicContact CE2-CD1 3.98Å; V104-I114 HydrophobicContact CG1-CD1 3.36Å; K108-I114 HydrophobicContact CB-CD1 3.72Å; K108-I114 HydrophobicContact CB-CG1 4.28Å; K108-I114 HydrophobicContact CB-CG2 4Å; K108-I114 HydrophobicContact CD-CG2 4.32Å; K108-I114 HydrophobicContact CG-CD1 3.94Å; K108-I114 HydrophobicContact CG-CG2 4.17Å; V111-I114 PolarHBondContact O-N 3.32Å; V111-I114 VanDerWaalsContact O-N 3.16Å; V111-I114 VanDerWaalsContact O-O 3.07Å; I114-V116 HydrophobicContact CD1-CG2 3.85Å; I114-V116 HydrophobicContact CG1-CG2 4.24Å; I114-V116 PolarHBondContact O-N 2.63Å
115P96.1Very high90.9Very high6 Ų638.9 Ų38.94%0.03924%0.241CC..  trans-63.9122.6172-26.338.1000112A81 F82 L164 L167 E168A81-P115 WeakPolarHBondContact CA-O 3.38Å; A81-P115 HydrophobicContact CB-CB 3.81Å; A81-P115 HydrophobicContact CB-CG 4.29Å; F82-P115 PolarHBondContact N-O 3.05Å; P115-L164 HydrophobicContact CB-CD1 3.9Å; P115-L164 HydrophobicContact CB-CG 4.43Å; P115-L167 HydrophobicContact CB-CB 3.85Å; P115-L167 HydrophobicContact CG-CB 4.13Å; P115-E168 HydrophobicContact CG-CB 4.2Å
116V97.5Very high91Very high4 Ų442.6 Ų42.62%0.02427%0.266CS..EExtended strand (participates in β ladder)trans-130.1129.1173.3-176.40000108.6F82 L84 V104 V111 I114 C144 A145F82-V116 HydrophobicContact CB-CG2 4.44Å; F82-V116 HydrophobicContact CD2-CG2 4.34Å; F82-V116 WeakPolarHBondContact O-CA 3.41Å; L84-V116 HydrophobicContact CD1-CG1 4.02Å; L84-V116 HydrophobicContact CG-CG1 4.23Å; V104-V116 HydrophobicContact CG1-CG2 4.44Å; V111-V116 HydrophobicContact CG1-CG2 4.2Å; I114-V116 HydrophobicContact CD1-CG2 3.85Å; I114-V116 HydrophobicContact CG1-CG2 4.24Å; I114-V116 PolarHBondContact O-N 2.63Å; V116-C144 HydrophobicContact CB-CB 3.89Å; V116-C144 HydrophobicContact CG1-CB 3.93Å; V116-C144 WeakPolarHBondContact O-CB 3.27Å; V116-A145 PolarHBondContact O-N 2.87Å; V116-A145 VanDerWaalsContact O-N 3.09Å
117M98.4Very high91.1Very high1 Ų145.8 Ų45.81%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-120.1120.9174.7-177.171.971.100110.1F82 I83 L84 V119 A145 M147 L160 E163 L164 L167F82-M117 PolarHBondContact O-N 3.47Å; I83-M117 WeakPolarHBondContact CA-O 3.48Å; L84-M117 PolarHBondContact N-O 2.88Å; M117-V119 HydrophobicContact CB-CG2 4.5Å; M117-V119 HydrophobicContact CG-CG2 3.66Å; M117-A145 HydrophobicContact CE-CB 3.59Å; M117-A145 HydrophobicContact SD-CB 3.48Å; M117-A145 WeakPolarHBondContact SD-CB 3.25Å; M117-M147 HydrophobicContact SD-CB 4.07Å; M117-L160 HydrophobicContact CB-CD1 4.3Å; M117-L160 HydrophobicContact CG-CD1 3.5Å; M117-L160 VanDerWaalsContact CG-CD1 3.5Å; M117-E163 HydrophobicContact CE-CB 3.91Å; M117-E163 HydrophobicContact CE-CG 3.65Å; M117-L164 HydrophobicContact CB-CD1 3.81Å; M117-L167 HydrophobicContact CE-CD1 4.38Å
118L98.8Very high91.3Very high0 Ų046 Ų460%026%0.262CS..EExtended strand (participates in β ladder)trans-82.8129.3166.2-179.464.3000109.3L84 Y86 L94 L97 Q138 A139 W142 A145 F146 M147L84-L118 HydrophobicContact CB-CD1 4.29Å; Y86-L118 HydrophobicContact CD1-CD1 3.89Å; Y86-L118 HydrophobicContact CD1-CG 4.36Å; Y86-L118 HydrophobicContact CE1-CD1 4.1Å; Y86-L118 HydrophobicContact CE1-CD2 4.45Å; Y86-L118 HydrophobicContact CE1-CG 4.07Å; L94-L118 HydrophobicContact CD1-CD1 4.02Å; L94-L118 HydrophobicContact CD1-CD2 4.28Å; L97-L118 HydrophobicContact CD1-CD1 3.61Å; L118-Q138 HydrophobicContact CD2-CB 4.08Å; L118-Q138 HydrophobicContact CD2-CG 4.12Å; L118-A139 HydrophobicContact CB-CB 4.4Å; L118-A139 HydrophobicContact CD2-CB 4.07Å; L118-W142 HydrophobicContact CD1-CZ3 4.13Å; L118-A145 PolarHBondContact N-O 2.93Å; L118-F146 HydrophobicContact CB-CD2 4.29Å; L118-F146 HydrophobicContact CD2-CD2 4.16Å; L118-F146 HydrophobicContact CG-CD2 4.12Å; L118-F146 WeakPolarHBondContact O-CA 3.39Å; L118-M147 PolarHBondContact O-N 2.81Å
119V98.9Very high91.6Very high0 Ų048.4 Ų48.40%028%0.275CS..EExtended strand (participates in β ladder)trans-125.7115.3-173.9-178.60000111.6L23 I83 L84 V85 Y86 M117 N121 M147 T149 L160L23-V119 HydrophobicContact CD1-CG1 4.16Å; I83-V119 HydrophobicContact CG2-CB 4.35Å; I83-V119 HydrophobicContact CG2-CG2 3.57Å; L84-V119 PolarHBondContact O-N 3.43Å; V85-V119 WeakPolarHBondContact CA-O 3.44Å; V85-V119 HydrophobicContact CG2-CB 4.34Å; Y86-V119 WeakPolarHBondContact CD1-O 3.2Å; Y86-V119 PolarHBondContact N-O 3.31Å; M117-V119 HydrophobicContact CB-CG2 4.5Å; M117-V119 HydrophobicContact CG-CG2 3.66Å; V119-N121 PolarHBondContact O-N 2.83Å; V119-M147 VanDerWaalsContact CA-O 3.29Å; V119-M147 WeakPolarHBondContact CA-O 3.43Å; V119-T149 HydrophobicContact CG1-CG2 3.78Å; V119-T149 WeakPolarHBondContact CG1-OG1 3.37Å; V119-L160 HydrophobicContact CG1-CD2 4.38Å; V119-L160 HydrophobicContact CG2-CD1 3.46Å; V119-L160 VanDerWaalsContact CG2-CD1 3.46Å; V119-L160 HydrophobicContact CG2-CD2 4.08Å; V119-L160 HydrophobicContact CG2-CG 4.44Å
120G98.8Very high92.4Very high0 Ų045.3 Ų45.30%024%0.243CC..EExtended strand (participates in β ladder)trans-85.795.8167.300000110.4Y86 M147 E148 T149Y86-G120 VanDerWaalsContact CZ-CA 3.42Å; G120-M147 PolarHBondContact N-O 3.34Å; G120-E148 CarbonylContact O-C 3.55Å; G120-E148 VanDerWaalsContact O-CA 3.25Å; G120-E148 WeakPolarHBondContact O-CA 3.48Å; G120-T149 PolarHBondContact O-N 3.43Å
121N98.8Very high93.5Very high4 Ų447.9 Ų47.92%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-87.5165.9179.4-17133.9000111.7V18 L23 V85 Y86 V88 V119 S123 T149 A151V18-N121 PolarHBondContact O-ND2 2.85Å; L23-N121 HydrophobicContact CD1-CB 4.22Å; V85-N121 HydrophobicContact CG1-CB 3.8Å; Y86-N121 PolarHBondContact O-N 2.82Å; V88-N121 PolarHBondContact N-O 2.88Å; V119-N121 PolarHBondContact O-N 2.83Å; N121-S123 VanDerWaalsContact C-N 3.33Å; N121-T149 CarbonylContact C-O 3.56Å; N121-T149 WeakPolarHBondContact CA-O 3.35Å; N121-T149 PolarHBondContact OD1-O 3.03Å; N121-T149 PolarHBondContact OD1-OG1 3.04Å; N121-A151 PolarHBondContact OD1-N 3.16Å
122K98.4Very high95.1Very high63 Ų6348.5 Ų48.527%0.27425%0.253SS..  trans64.933.8-174.9-43.8-168.7-164.2174.80113.3G17 S87 V88 D124 E125 T149G17-K122 VanDerWaalsContact O-CE 3.27Å; G17-K122 WeakPolarHBondContact O-CE 3.02Å; G17-K122 PolarHBondContact O-NZ 2.84Å; S87-K122 WeakPolarHBondContact OG-CD 3.49Å; V88-K122 WeakPolarHBondContact CG2-O 3.18Å; K122-D124 WeakPolarHBondContact CA-OD1 3.49Å; K122-D124 PolarHBondContact O-N 3.39Å; K122-E125 HydrophobicContact CB-CG 3.94Å; K122-E125 WeakPolarHBondContact O-CB 3.25Å; K122-E125 PolarHBondContact O-N 3.25Å; K122-T149 PolarHBondContact N-O 3.5Å; K122-T149 VanDerWaalsContact N-O 3.1Å
123S98.4Very high96.4Very high33 Ų3351.4 Ų51.423%0.23126%0.261CS..THydrogen-bonded Turntrans-60-11.9174.954.10000114.4N121 E125 T149N121-S123 VanDerWaalsContact C-N 3.33Å; S123-E125 VanDerWaalsContact C-N 3.29Å; S123-T149 WeakPolarHBondContact CB-O 3.35Å; S123-T149 PolarHBondContact N-O 3.18Å; S123-T149 PolarHBondContact OG-O 3.38Å
124D97.9Very high97.6Very high52 Ų5252 Ų5228%0.27826%0.255SS..THydrogen-bonded Turntrans-74.1-15.1170.856.8-73.8000114.1K122 S150 K152 M153K122-D124 WeakPolarHBondContact CA-OD1 3.49Å; K122-D124 PolarHBondContact O-N 3.39Å; D124-S150 WeakPolarHBondContact OD1-CB 3.47Å; D124-S150 PolarHBondContact OD1-OG 2.94Å; D124-K152 VanDerWaalsContact OD2-CD 3.26Å; D124-K152 WeakPolarHBondContact OD2-CD 3.34Å; D124-M153 HydrophobicContact CB-CG 3.66Å
125E97.2Very high97.9Very high79 Ų7951 Ų5137%0.36925%0.249SC..  trans-80.4136.6179.4-65.9-72175.400111.8T89 K122 S123T89-E125 HydrophobicContact CG2-CB 3.38Å; T89-E125 HydrophobicContact CG2-CG 3.75Å; K122-E125 HydrophobicContact CB-CG 3.94Å; K122-E125 WeakPolarHBondContact O-CB 3.25Å; K122-E125 PolarHBondContact O-N 3.25Å; S123-E125 VanDerWaalsContact C-N 3.29Å
126T95Very high98.1Very high121 Ų12155.2 Ų55.274%0.74227%0.268SS*.SBendtrans-86-26-178.961.50000113.2R128T126-R128 VanDerWaalsContact C-N 3.29Å; T126-R128 PolarHBondContact O-N 3.47Å; T126-R128 VanDerWaalsContact O-N 3.08Å
127Q95.9Very high98.1Very high154 Ų15457.9 Ų57.972%0.7229%0.291SS*.SBendtrans-8670.3-179.2-61.6-60.7-37.500110.1
128R97.9Very high98.1Very high68 Ų6860.7 Ų60.726%0.25730%0.304SS..  trans-80.5139.9-177.5-56.1-179.172.3173.814.1110.8V88 T126 V130 E131 T132 E148V88-R128 HydrophobicContact CG2-CG 4.3Å; T126-R128 VanDerWaalsContact C-N 3.29Å; T126-R128 PolarHBondContact O-N 3.47Å; T126-R128 VanDerWaalsContact O-N 3.08Å; R128-V130 PolarHBondContact NE-O 3.26Å; R128-V130 PolarHBondContact NH2-O 3.39Å; R128-E131 IonicContact NH1-OE2 3.21Å; R128-T132 PolarHBondContact NH1-OG1 3.18Å; R128-T132 PolarHBondContact NH2-OG1 3.13Å; R128-E148 IonicContact CZ-OE1 3.73Å; R128-E148 VanDerWaalsContact NH2-CD 3.29Å; R128-E148 IonicContact NH2-OE1 3.88Å; R128-E148 PolarHBondContact NH2-OE1 2.68Å; R128-E148 IonicContact NH2-OE2 2.64Å; R128-E148 PolarHBondContact NH2-OE2 3.16Å
129E98.6Very high98.1Very high107 Ų10760.8 Ų60.850%0.531%0.305SS..SBendtrans-104-19.6167.5-66.9-174.3-172.500112.1V88 S90 R91V88-E129 PolarHBondContact O-N 2.9Å; S90-E129 VanDerWaalsContact CA-OE2 3.28Å; S90-E129 WeakPolarHBondContact CA-OE2 3.46Å; R91-E129 HydrophobicContact CB-CB 4.24Å; R91-E129 PolarHBondContact N-OE2 2.88Å; R91-E129 PolarHBondContact NE-O 2.84Å; R91-E129 PolarHBondContact NH2-O 2.95Å
130V98.4Very high98Very high0 Ų066 Ų660%034%0.337CS..SBendtrans-125.6118179.7-176.20000108.9Y86 V88 R91 L94 R128 E134Y86-V130 HydrophobicContact CE2-CB 3.98Å; Y86-V130 HydrophobicContact CE2-CG1 3.78Å; Y86-V130 HydrophobicContact CE2-CG2 4.29Å; V88-V130 PolarHBondContact O-N 2.98Å; R91-V130 HydrophobicContact CB-CG2 3.98Å; R91-V130 HydrophobicContact CG-CG2 4.43Å; L94-V130 HydrophobicContact CD2-CG1 3.95Å; L94-V130 HydrophobicContact CD2-CG2 4.47Å; R128-V130 PolarHBondContact NE-O 3.26Å; R128-V130 PolarHBondContact NH2-O 3.39Å; V130-E134 HydrophobicContact CG1-CB 3.94Å
131E98.3Very high97.9Very high103 Ų10369.5 Ų69.548%0.48137%0.366SS..  trans-75.3153.9175.4-68.3-60.6156.700111.5R128 K133 E134 G135R128-E131 IonicContact NH1-OE2 3.21Å; E131-K133 PolarHBondContact O-N 3.14Å; E131-E134 HydrophobicContact CB-CG 4.28Å; E131-E134 PolarHBondContact N-OE2 3.15Å; E131-E134 WeakPolarHBondContact O-CB 3.4Å; E131-E134 PolarHBondContact O-N 3.42Å; E131-G135 PolarHBondContact O-N 3.49Å
132T98.3Very high97.8Very high38 Ų3870.4 Ų70.423%0.23337%0.369CS..Hα-helixtrans-54.4-41.3179.5-52.20000111.6R128 E134 G135 E136 F146 E148R128-T132 PolarHBondContact NH1-OG1 3.18Å; R128-T132 PolarHBondContact NH2-OG1 3.13Å; T132-E134 VanDerWaalsContact C-N 3.25Å; T132-E134 PolarHBondContact O-N 2.95Å; T132-G135 PolarHBondContact O-N 2.85Å; T132-G135 VanDerWaalsContact O-N 3.16Å; T132-E136 WeakPolarHBondContact O-CG 3.3Å; T132-E136 PolarHBondContact O-N 2.85Å; T132-F146 HydrophobicContact CG2-CE1 4Å; T132-F146 HydrophobicContact CG2-CZ 4.47Å; T132-E148 WeakPolarHBondContact CA-OE1 3.47Å; T132-E148 HydrophobicContact CG2-CG 4.23Å; T132-E148 VanDerWaalsContact OG1-CD 3.24Å; T132-E148 PolarHBondContact OG1-OE1 2.95Å; T132-E148 PolarHBondContact OG1-OE2 3Å
133K98.4Very high97.6Very high170 Ų17074.9 Ų74.974%0.73939%0.388SS*.Hα-helixtrans-61.6-30.8177.9-68.6-176.6179178.20113.4E131 A137E131-K133 PolarHBondContact O-N 3.14Å; K133-A137 VanDerWaalsContact O-CB 3.27Å; K133-A137 WeakPolarHBondContact O-CB 3.46Å; K133-A137 PolarHBondContact O-N 3.38Å
134E98.3Very high97.5Very high67 Ų6774.3 Ų74.331%0.31338%0.384SS..Hα-helixtrans-73.5-39.4177.5-62.9-177.884.700111R91 V130 E131 T132 A137 Q138R91-E134 IonicContact CZ-OE1 3.19Å; R91-E134 IonicContact CZ-OE2 3.92Å; R91-E134 IonicContact NH1-OE1 2.73Å; R91-E134 PolarHBondContact NH1-OE1 3.06Å; R91-E134 IonicContact NH2-OE1 2.76Å; R91-E134 PolarHBondContact NH2-OE1 2.65Å; R91-E134 IonicContact NH2-OE2 2.87Å; R91-E134 PolarHBondContact NH2-OE2 3.34Å; V130-E134 HydrophobicContact CG1-CB 3.94Å; E131-E134 HydrophobicContact CB-CG 4.28Å; E131-E134 PolarHBondContact N-OE2 3.15Å; E131-E134 WeakPolarHBondContact O-CB 3.4Å; E131-E134 PolarHBondContact O-N 3.42Å; T132-E134 VanDerWaalsContact C-N 3.25Å; T132-E134 PolarHBondContact O-N 2.95Å; E134-A137 PolarHBondContact O-N 2.77Å; E134-Q138 WeakPolarHBondContact O-CB 3.47Å; E134-Q138 PolarHBondContact O-N 3.21Å
135G98.4Very high97.5Very high0 Ų073 Ų730%038%0.38CS..Hα-helixtrans-60.8-45.9171.600000112.2E131 T132 Q138 A139E131-G135 PolarHBondContact O-N 3.49Å; T132-G135 PolarHBondContact O-N 2.85Å; T132-G135 VanDerWaalsContact O-N 3.16Å; G135-Q138 PolarHBondContact O-N 3.46Å; G135-A139 WeakPolarHBondContact O-CB 3.44Å; G135-A139 PolarHBondContact O-N 2.85Å
136E98.6Very high97.5Very high96 Ų9671.4 Ų71.445%0.44937%0.372SS..Hα-helixtrans-60.6-45.7175.2-70.5171.9173.400112.3T132 Q138 A139 T140 F146T132-E136 WeakPolarHBondContact O-CG 3.3Å; T132-E136 PolarHBondContact O-N 2.85Å; E136-Q138 VanDerWaalsContact C-N 3.32Å; E136-Q138 PolarHBondContact O-N 3.25Å; E136-A139 PolarHBondContact O-N 2.81Å; E136-T140 WeakPolarHBondContact O-CB 3.44Å; E136-T140 PolarHBondContact O-N 3.02Å; E136-T140 PolarHBondContact O-OG1 2.88Å; E136-F146 HydrophobicContact CB-CD1 4.4Å; E136-F146 HydrophobicContact CG-CD1 3.51Å; E136-F146 HydrophobicContact CG-CE1 3.62Å; E136-F146 HydrophobicContact CG-CG 4.46Å
137A98.6Very high97.7Very high60 Ų6067.2 Ų67.250%0.49635%0.345SS..Hα-helixtrans-62.4-40.8176.700000111.4K133 E134 T140 A141K133-A137 VanDerWaalsContact O-CB 3.27Å; K133-A137 WeakPolarHBondContact O-CB 3.46Å; K133-A137 PolarHBondContact O-N 3.38Å; E134-A137 PolarHBondContact O-N 2.77Å; A137-T140 PolarHBondContact O-N 3.03Å; A137-A141 WeakPolarHBondContact O-CB 3.49Å; A137-A141 PolarHBondContact O-N 2.78Å
138Q98.5Very high97.9Very high59 Ų5961.2 Ų61.228%0.27632%0.317SS..Hα-helixtrans-66.5-42.9178.2-171.258.67900112.1L94 L118 E134 G135 E136 T140 A141 W142L94-Q138 HydrophobicContact CD1-CG 4.2Å; L118-Q138 HydrophobicContact CD2-CB 4.08Å; L118-Q138 HydrophobicContact CD2-CG 4.12Å; E134-Q138 WeakPolarHBondContact O-CB 3.47Å; E134-Q138 PolarHBondContact O-N 3.21Å; G135-Q138 PolarHBondContact O-N 3.46Å; E136-Q138 VanDerWaalsContact C-N 3.32Å; E136-Q138 PolarHBondContact O-N 3.25Å; Q138-T140 VanDerWaalsContact C-N 3.34Å; Q138-A141 PolarHBondContact O-N 2.8Å; Q138-W142 HydrophobicContact CG-CD2 4.32Å; Q138-W142 HydrophobicContact CG-CH2 4.38Å; Q138-W142 HydrophobicContact CG-CZ2 4.14Å; Q138-W142 VanDerWaalsContact NE2-CD1 3.29Å; Q138-W142 WeakPolarHBondContact O-CB 3.38Å; Q138-W142 PolarHBondContact O-N 2.93Å
139A97.9Very high97.9Very high3 Ų358 Ų583%0.02531%0.305CS..Hα-helixtrans-64.7-38.9175.600000112.1L118 G135 E136 W142 K143 C144 F146L118-A139 HydrophobicContact CB-CB 4.4Å; L118-A139 HydrophobicContact CD2-CB 4.07Å; G135-A139 WeakPolarHBondContact O-CB 3.44Å; G135-A139 PolarHBondContact O-N 2.85Å; E136-A139 PolarHBondContact O-N 2.81Å; A139-W142 CarbonylContact O-C 3.51Å; A139-W142 PolarHBondContact O-N 2.89Å; A139-K143 WeakPolarHBondContact O-CA 3.46Å; A139-K143 PolarHBondContact O-N 3.14Å; A139-C144 PolarHBondContact O-N 3.02Å; A139-F146 HydrophobicContact CB-CB 3.59Å; A139-F146 HydrophobicContact CB-CG 4.33Å
140T97.6Very high97.9Very high109 Ų10953 Ų5367%0.66928%0.281SS*.Hα-helixtrans-60.3-47.3172.9-58.60000111E136 A137 Q138 W142 K143E136-T140 WeakPolarHBondContact O-CB 3.44Å; E136-T140 PolarHBondContact O-N 3.02Å; E136-T140 PolarHBondContact O-OG1 2.88Å; A137-T140 PolarHBondContact O-N 3.03Å; Q138-T140 VanDerWaalsContact C-N 3.34Å; T140-W142 VanDerWaalsContact C-N 3.25Å; T140-W142 PolarHBondContact O-N 3.09Å; T140-K143 PolarHBondContact O-N 2.97Å
141A96.6Very high97.9Very high73 Ų7353 Ų5360%0.60328%0.282SS*.Hα-helixtrans-62.4-33.6176.900000112.5A137 Q138A137-A141 WeakPolarHBondContact O-CB 3.49Å; A137-A141 PolarHBondContact O-N 2.78Å; Q138-A141 PolarHBondContact O-N 2.8Å
142W95.8Very high97.9Very high23 Ų2352.5 Ų52.59%0.08728%0.278CS..Hα-helixtrans-87.4-2.5175.6-70.30.8000113.5L84 L97 K98 Y101 L118 Q138 A139 T140 C144L84-W142 HydrophobicContact CD1-CE3 4.41Å; L84-W142 HydrophobicContact CD1-CZ3 4.07Å; L97-W142 HydrophobicContact CB-CH2 3.79Å; L97-W142 HydrophobicContact CB-CZ3 4.1Å; K98-W142 HydrophobicContact CB-CH2 4.41Å; K98-W142 HydrophobicContact CB-CZ2 3.91Å; K98-W142 HydrophobicContact CG-CZ2 4.22Å; Y101-W142 HydrophobicContact CD1-CB 4.32Å; Y101-W142 AromaticContact CD1-CD1 3.86Å; Y101-W142 AromaticContact CD1-CD2 3.54Å; Y101-W142 HydrophobicContact CD1-CD2 3.54Å; Y101-W142 AromaticContact CD1-CE2 3.75Å; Y101-W142 HydrophobicContact CD1-CE3 4.03Å; Y101-W142 AromaticContact CD1-CG 3.66Å; Y101-W142 HydrophobicContact CD1-CG 3.66Å; Y101-W142 HydrophobicContact CD1-CZ2 4.45Å; Y101-W142 AromaticContact CD1-NE1 3.87Å; Y101-W142 HydrophobicContact CD2-CD2 4.24Å; Y101-W142 AromaticContact CD2-CE3 3.99Å; Y101-W142 HydrophobicContact CD2-CE3 3.99Å; Y101-W142 HydrophobicContact CE1-CB 3.74Å; Y101-W142 AromaticContact CE1-CD1 3.64Å; Y101-W142 AromaticContact CE1-CD2 3.89Å; Y101-W142 HydrophobicContact CE1-CD2 3.89Å; Y101-W142 AromaticContact CE1-CG 3.46Å; Y101-W142 HydrophobicContact CE1-CG 3.46Å; Y101-W142 VanDerWaalsContact CE1-CG 3.46Å; Y101-W142 HydrophobicContact CE2-CB 4.07Å; Y101-W142 HydrophobicContact CE2-CG 4.38Å; Y101-W142 AromaticContact CG-CD2 3.75Å; Y101-W142 HydrophobicContact CG-CD2 3.75Å; Y101-W142 AromaticContact CG-CE3 3.72Å; Y101-W142 HydrophobicContact CG-CE3 3.72Å; Y101-W142 HydrophobicContact CG-CG 4.21Å; Y101-W142 HydrophobicContact CG-CZ3 4.16Å; Y101-W142 AromaticContact CZ-CG 3.89Å; Y101-W142 PolarHBondContact OH-O 2.97Å; L118-W142 HydrophobicContact CD1-CZ3 4.13Å; Q138-W142 HydrophobicContact CG-CD2 4.32Å; Q138-W142 HydrophobicContact CG-CH2 4.38Å; Q138-W142 HydrophobicContact CG-CZ2 4.14Å; Q138-W142 VanDerWaalsContact NE2-CD1 3.29Å; Q138-W142 WeakPolarHBondContact O-CB 3.38Å; Q138-W142 PolarHBondContact O-N 2.93Å; A139-W142 CarbonylContact O-C 3.51Å; A139-W142 PolarHBondContact O-N 2.89Å; T140-W142 VanDerWaalsContact C-N 3.25Å; T140-W142 PolarHBondContact O-N 3.09Å; W142-C144 PolarHBondContact O-N 3.39Å
143K94.7Very high97.8Very high157 Ų15756.8 Ų56.868%0.68330%0.297SS*.THydrogen-bonded Turntrans50.339.8-175.8-53.7179.8178.6-177.60112.5A139 T140A139-K143 WeakPolarHBondContact O-CA 3.46Å; A139-K143 PolarHBondContact O-N 3.14Å; T140-K143 PolarHBondContact O-N 2.97Å
144C96.1Very high97.8Very high21 Ų2153 Ų5314%0.14229%0.285CS..  trans-120.1167.6176.567.80000110.8V116 A139 W142V116-C144 HydrophobicContact CB-CB 3.89Å; V116-C144 HydrophobicContact CG1-CB 3.93Å; V116-C144 WeakPolarHBondContact O-CB 3.27Å; A139-C144 PolarHBondContact O-N 3.02Å; W142-C144 PolarHBondContact O-N 3.39Å
145A97.7Very high97.8Very high25 Ų2553.6 Ų53.621%0.20729%0.29CS..EExtended strand (participates in β ladder)trans-75.8158.5175.600000110.9V116 M117 L118 L167V116-A145 PolarHBondContact O-N 2.87Å; V116-A145 VanDerWaalsContact O-N 3.09Å; M117-A145 HydrophobicContact CE-CB 3.59Å; M117-A145 HydrophobicContact SD-CB 3.48Å; M117-A145 WeakPolarHBondContact SD-CB 3.25Å; L118-A145 PolarHBondContact N-O 2.93Å; A145-L167 HydrophobicContact CB-CD1 3.65Å
146F98.7Very high97.8Very high46 Ų4656.3 Ų56.320%0.20230%0.304CS..EExtended strand (participates in β ladder)trans-132.5142.6179.4176.7-111.2000111.6Y86 L118 T132 E136 A139 E148Y86-F146 HydrophobicContact CE1-CE2 4.23Å; L118-F146 HydrophobicContact CB-CD2 4.29Å; L118-F146 HydrophobicContact CD2-CD2 4.16Å; L118-F146 HydrophobicContact CG-CD2 4.12Å; L118-F146 WeakPolarHBondContact O-CA 3.39Å; T132-F146 HydrophobicContact CG2-CE1 4Å; T132-F146 HydrophobicContact CG2-CZ 4.47Å; E136-F146 HydrophobicContact CB-CD1 4.4Å; E136-F146 HydrophobicContact CG-CD1 3.51Å; E136-F146 HydrophobicContact CG-CE1 3.62Å; E136-F146 HydrophobicContact CG-CG 4.46Å; A139-F146 HydrophobicContact CB-CB 3.59Å; A139-F146 HydrophobicContact CB-CG 4.33Å; F146-E148 HydrophobicContact CE1-CG 3.86Å; F146-E148 HydrophobicContact CE2-CG 4.38Å; F146-E148 HydrophobicContact CZ-CG 3.47Å; F146-E148 VanDerWaalsContact CZ-CG 3.47Å
147M98.7Very high97.8Very high32 Ų3251.8 Ų51.816%0.15828%0.283CS..EExtended strand (participates in β ladder)trans-152.5138.7171-170.8172.5-72.400111.3M117 L118 V119 G120 T149 N156 E159 L160 E163M117-M147 HydrophobicContact SD-CB 4.07Å; L118-M147 PolarHBondContact O-N 2.81Å; V119-M147 VanDerWaalsContact CA-O 3.29Å; V119-M147 WeakPolarHBondContact CA-O 3.43Å; G120-M147 PolarHBondContact N-O 3.34Å; M147-T149 HydrophobicContact CG-CG2 4.2Å; M147-T149 HydrophobicContact SD-CG2 4.41Å; M147-N156 HydrophobicContact CG-CB 4.07Å; M147-N156 HydrophobicContact SD-CB 3.79Å; M147-E159 HydrophobicContact CE-CB 4.15Å; M147-E159 HydrophobicContact SD-CB 4.12Å; M147-L160 VanDerWaalsContact SD-CA 3.55Å; M147-L160 HydrophobicContact SD-CB 3.9Å; M147-L160 PolarHBondContact SD-N 2.86Å; M147-L160 VanDerWaalsContact SD-N 3.42Å; M147-E163 HydrophobicContact CE-CB 4.14Å; M147-E163 HydrophobicContact CE-CG 4.44Å
148E98.8Very high97.8Very high29 Ų2954.7 Ų54.714%0.13629%0.285CS..EExtended strand (participates in β ladder)trans-90.8140.1165.5-62.6-160.6145.300110.9G120 R128 T132 F146 N156G120-E148 CarbonylContact O-C 3.55Å; G120-E148 VanDerWaalsContact O-CA 3.25Å; G120-E148 WeakPolarHBondContact O-CA 3.48Å; R128-E148 IonicContact CZ-OE1 3.73Å; R128-E148 VanDerWaalsContact NH2-CD 3.29Å; R128-E148 IonicContact NH2-OE1 3.88Å; R128-E148 PolarHBondContact NH2-OE1 2.68Å; R128-E148 IonicContact NH2-OE2 2.64Å; R128-E148 PolarHBondContact NH2-OE2 3.16Å; T132-E148 WeakPolarHBondContact CA-OE1 3.47Å; T132-E148 HydrophobicContact CG2-CG 4.23Å; T132-E148 VanDerWaalsContact OG1-CD 3.24Å; T132-E148 PolarHBondContact OG1-OE1 2.95Å; T132-E148 PolarHBondContact OG1-OE2 3Å; F146-E148 HydrophobicContact CE1-CG 3.86Å; F146-E148 HydrophobicContact CE2-CG 4.38Å; F146-E148 HydrophobicContact CZ-CG 3.47Å; F146-E148 VanDerWaalsContact CZ-CG 3.47Å; E148-N156 VanDerWaalsContact O-CB 3.27Å; E148-N156 WeakPolarHBondContact O-CB 3.44Å; E148-N156 PolarHBondContact O-ND2 3.4Å
149T98.9Very high97.8Very high0 Ų056.3 Ų56.30%029%0.293CS..  trans-134.6158.4-175.858.80000111.4L23 V119 G120 N121 K122 S123 M147 N155 N156 L160L23-T149 HydrophobicContact CD2-CG2 4.46Å; V119-T149 HydrophobicContact CG1-CG2 3.78Å; V119-T149 WeakPolarHBondContact CG1-OG1 3.37Å; G120-T149 PolarHBondContact O-N 3.43Å; N121-T149 CarbonylContact C-O 3.56Å; N121-T149 WeakPolarHBondContact CA-O 3.35Å; N121-T149 PolarHBondContact OD1-O 3.03Å; N121-T149 PolarHBondContact OD1-OG1 3.04Å; K122-T149 PolarHBondContact N-O 3.5Å; K122-T149 VanDerWaalsContact N-O 3.1Å; S123-T149 WeakPolarHBondContact CB-O 3.35Å; S123-T149 PolarHBondContact N-O 3.18Å; S123-T149 PolarHBondContact OG-O 3.38Å; M147-T149 HydrophobicContact CG-CG2 4.2Å; M147-T149 HydrophobicContact SD-CG2 4.41Å; T149-N155 WeakPolarHBondContact CA-O 3.44Å; T149-N156 HydrophobicContact CG2-CB 3.95Å; T149-L160 HydrophobicContact CG2-CB 4.31Å; T149-L160 HydrophobicContact CG2-CD2 4.25Å
150S98.6Very high97.8Very high1 Ų156.2 Ų56.21%0.00729%0.292CS..BIsolated β-bridgetrans-133.9105.4163.8173.70000108.7D124 K152 M153 N154 N155D124-S150 WeakPolarHBondContact OD1-CB 3.47Å; D124-S150 PolarHBondContact OD1-OG 2.94Å; S150-K152 PolarHBondContact O-N 3.38Å; S150-K152 PolarHBondContact OG-N 3.4Å; S150-M153 PolarHBondContact O-N 2.86Å; S150-M153 WeakPolarHBondContact OG-CB 3.3Å; S150-M153 WeakPolarHBondContact OG-CG 3.16Å; S150-M153 PolarHBondContact OG-N 3.13Å; S150-N154 CarbonylContact O-C 3.56Å; S150-N154 WeakPolarHBondContact O-CA 2.91Å; S150-N154 PolarHBondContact O-N 2.97Å; S150-N155 PolarHBondContact N-O 2.62Å; S150-N155 PolarHBondContact O-N 3.26Å
151A98.2Very high97.8Very high2 Ų251.2 Ų51.22%0.01726%0.261CS..THydrogen-bonded Turntrans-59.3-33.8171.400000112.1L23 R26 F32 N121L23-A151 HydrophobicContact CD2-CB 3.93Å; L23-A151 HydrophobicContact CG-CB 4.14Å; R26-A151 PolarHBondContact NE-O 3.21Å; R26-A151 PolarHBondContact NH2-O 3.17Å; F32-A151 HydrophobicContact CD2-CB 4.2Å; F32-A151 HydrophobicContact CE2-CB 4.26Å; N121-A151 PolarHBondContact OD1-N 3.16Å
152K97.6Very high97.8Very high92 Ų9250.1 Ų50.140%0.424%0.243SC..THydrogen-bonded Turntrans-64.9-54.6179.3-174.1-177.8-174179.60110.8R26 F32 D124 S150 N154R26-K152 PolarHBondContact NH2-O 2.64Å; F32-K152 HydrophobicContact CD1-CG 4.38Å; F32-K152 HydrophobicContact CD2-CB 4.47Å; F32-K152 HydrophobicContact CE1-CB 4.07Å; F32-K152 HydrophobicContact CE1-CG 3.78Å; F32-K152 HydrophobicContact CE2-CB 3.92Å; F32-K152 HydrophobicContact CZ-CB 3.7Å; F32-K152 HydrophobicContact CZ-CG 3.88Å; D124-K152 VanDerWaalsContact OD2-CD 3.26Å; D124-K152 WeakPolarHBondContact OD2-CD 3.34Å; S150-K152 PolarHBondContact O-N 3.38Å; S150-K152 PolarHBondContact OG-N 3.4Å; K152-N154 VanDerWaalsContact C-N 3.25Å; K152-N154 PolarHBondContact O-N 3.22Å
153M97.9Very high97.9Very high128 Ų12853.1 Ų53.163%0.63126%0.258SS*.THydrogen-bonded Turntrans-82.6-1.1-178.1-57.4-55.5-68.400113.6D124 S150 N155D124-M153 HydrophobicContact CB-CG 3.66Å; S150-M153 PolarHBondContact O-N 2.86Å; S150-M153 WeakPolarHBondContact OG-CB 3.3Å; S150-M153 WeakPolarHBondContact OG-CG 3.16Å; S150-M153 PolarHBondContact OG-N 3.13Å; M153-N155 HydrophobicContact CB-CB 4.46Å; M153-N155 PolarHBondContact O-N 3.39Å
154N97.8Very high98.1Very high90 Ų9045.7 Ų45.748%0.48123%0.226SC..THydrogen-bonded Turntrans55.133.5-172-166.744.5000112.7R26 S150 K152R26-N154 VanDerWaalsContact CD-OD1 3.31Å; R26-N154 WeakPolarHBondContact CD-OD1 3.35Å; R26-N154 HydrophobicContact CG-CB 4.34Å; R26-N154 WeakPolarHBondContact CG-OD1 3.07Å; S150-N154 CarbonylContact O-C 3.56Å; S150-N154 WeakPolarHBondContact O-CA 2.91Å; S150-N154 PolarHBondContact O-N 2.97Å; K152-N154 VanDerWaalsContact C-N 3.25Å; K152-N154 PolarHBondContact O-N 3.22Å
155N98.6Very high98.1Very high80 Ų8044.8 Ų44.843%0.42822%0.22SC..BIsolated β-bridgetrans-88.9129.6179.1-172.119.1000110.3T149 S150 M153 V157T149-N155 WeakPolarHBondContact CA-O 3.44Å; S150-N155 PolarHBondContact N-O 2.62Å; S150-N155 PolarHBondContact O-N 3.26Å; M153-N155 HydrophobicContact CB-CB 4.46Å; M153-N155 PolarHBondContact O-N 3.39Å; N155-V157 PolarHBondContact O-N 3.47Å
156N98.4Very high98Very high56 Ų5647.7 Ų47.730%0.29924%0.235SC..SBendtrans56.715.5179.5-70.6-21.4000115.5M147 E148 T149 E159 L160M147-N156 HydrophobicContact CG-CB 4.07Å; M147-N156 HydrophobicContact SD-CB 3.79Å; E148-N156 VanDerWaalsContact O-CB 3.27Å; E148-N156 WeakPolarHBondContact O-CB 3.44Å; E148-N156 PolarHBondContact O-ND2 3.4Å; T149-N156 HydrophobicContact CG2-CB 3.95Å; N156-E159 VanDerWaalsContact C-OE2 3.23Å; N156-E159 WeakPolarHBondContact CA-OE2 3.37Å; N156-L160 VanDerWaalsContact O-CB 3.25Å; N156-L160 WeakPolarHBondContact O-CB 3.41Å; N156-L160 PolarHBondContact O-N 3.48Å
157V98.4Very high97.8Very high1 Ų148.4 Ų48.41%0.00624%0.24CC..Hα-helixtrans-72.7-43.6-175.91790000111L23 R26 F27 N155 E159 F161L23-V157 HydrophobicContact CD2-CG2 4.03Å; R26-V157 HydrophobicContact CB-CG1 4.13Å; R26-V157 HydrophobicContact CG-CB 4.25Å; R26-V157 HydrophobicContact CG-CG1 3.88Å; R26-V157 HydrophobicContact CG-CG2 4Å; F27-V157 HydrophobicContact CB-CG1 3.86Å; N155-V157 PolarHBondContact O-N 3.47Å; V157-E159 PolarHBondContact N-OE2 3.18Å; V157-F161 VanDerWaalsContact O-CD2 3.23Å; V157-F161 WeakPolarHBondContact O-CD2 3.28Å
158K97.4Very high97.5Very high121 Ų12148 Ų4853%0.52624%0.238SC..Hα-helixtrans-74.6-39.5179-175-178.5176.2-1750110.7L160 F161 Q162 L175K158-L160 VanDerWaalsContact C-N 3.3Å; K158-L160 PolarHBondContact O-N 2.87Å; K158-F161 PolarHBondContact O-N 3.17Å; K158-Q162 PolarHBondContact O-N 3.13Å; K158-L175 HydrophobicContact CG-CD1 3.66Å
159E98.4Very high97.1Very high94 Ų9454.6 Ų54.644%0.43927%0.266SS..Hα-helixtrans-57.9-43178.1-64.870.5-158.400110.4M147 N156 V157 F161 Q162 E163M147-E159 HydrophobicContact CE-CB 4.15Å; M147-E159 HydrophobicContact SD-CB 4.12Å; N156-E159 VanDerWaalsContact C-OE2 3.23Å; N156-E159 WeakPolarHBondContact CA-OE2 3.37Å; V157-E159 PolarHBondContact N-OE2 3.18Å; E159-F161 PolarHBondContact O-N 2.86Å; E159-Q162 PolarHBondContact O-N 3.27Å; E159-E163 VanDerWaalsContact O-CB 3.25Å; E159-E163 WeakPolarHBondContact O-CB 3.42Å; E159-E163 PolarHBondContact O-N 3.18Å
160L98.6Very high96.6Very high1 Ų162.7 Ų62.71%0.00530%0.301CS..Hα-helixtrans-51.2-54.5174.1166.659.3000112.5L23 I83 M117 V119 M147 T149 N156 K158 L164L23-L160 HydrophobicContact CD1-CD2 4.38Å; I83-L160 HydrophobicContact CD1-CD1 4.32Å; I83-L160 HydrophobicContact CD1-CD2 4.32Å; I83-L160 HydrophobicContact CD1-CG 4.27Å; I83-L160 HydrophobicContact CG2-CD1 4.41Å; I83-L160 HydrophobicContact CG2-CD2 4.44Å; M117-L160 HydrophobicContact CB-CD1 4.3Å; M117-L160 HydrophobicContact CG-CD1 3.5Å; M117-L160 VanDerWaalsContact CG-CD1 3.5Å; V119-L160 HydrophobicContact CG1-CD2 4.38Å; V119-L160 HydrophobicContact CG2-CD1 3.46Å; V119-L160 VanDerWaalsContact CG2-CD1 3.46Å; V119-L160 HydrophobicContact CG2-CD2 4.08Å; V119-L160 HydrophobicContact CG2-CG 4.44Å; M147-L160 VanDerWaalsContact SD-CA 3.55Å; M147-L160 HydrophobicContact SD-CB 3.9Å; M147-L160 PolarHBondContact SD-N 2.86Å; M147-L160 VanDerWaalsContact SD-N 3.42Å; T149-L160 HydrophobicContact CG2-CB 4.31Å; T149-L160 HydrophobicContact CG2-CD2 4.25Å; N156-L160 VanDerWaalsContact O-CB 3.25Å; N156-L160 WeakPolarHBondContact O-CB 3.41Å; N156-L160 PolarHBondContact O-N 3.48Å; K158-L160 VanDerWaalsContact C-N 3.3Å; K158-L160 PolarHBondContact O-N 2.87Å; L160-L164 WeakPolarHBondContact O-CB 3.4Å; L160-L164 PolarHBondContact O-N 3.42Å
161F98Very high96.2Very high4 Ų465.8 Ų65.82%0.01831%0.313CS..Hα-helixtrans-72.1-36.1-177.4-68.8-86.2000111.7F27 I59 I83 V157 K158 E159 L165 L175F27-F161 HydrophobicContact CB-CD2 3.82Å; F27-F161 HydrophobicContact CB-CE2 3.43Å; F27-F161 VanDerWaalsContact CB-CE2 3.43Å; F27-F161 HydrophobicContact CB-CZ 4.14Å; F27-F161 HydrophobicContact CD1-CD1 4.16Å; F27-F161 AromaticContact CD1-CD2 3.75Å; F27-F161 HydrophobicContact CD1-CD2 3.75Å; F27-F161 HydrophobicContact CD1-CE1 4.19Å; F27-F161 AromaticContact CD1-CE2 3.8Å; F27-F161 HydrophobicContact CD1-CE2 3.8Å; F27-F161 AromaticContact CD1-CG 3.96Å; F27-F161 HydrophobicContact CD1-CG 3.96Å; F27-F161 HydrophobicContact CD1-CZ 4.02Å; F27-F161 HydrophobicContact CD2-CB 4.18Å; F27-F161 AromaticContact CD2-CD2 3.32Å; F27-F161 HydrophobicContact CD2-CD2 3.32Å; F27-F161 AromaticContact CD2-CE2 3.9Å; F27-F161 HydrophobicContact CD2-CE2 3.9Å; F27-F161 AromaticContact CD2-CG 3.9Å; F27-F161 HydrophobicContact CD2-CG 3.9Å; F27-F161 HydrophobicContact CE1-CB 4.29Å; F27-F161 HydrophobicContact CE1-CD1 4.09Å; F27-F161 HydrophobicContact CE1-CD2 4.14Å; F27-F161 HydrophobicContact CE1-CE1 4.49Å; F27-F161 AromaticContact CE1-CG 3.91Å; F27-F161 HydrophobicContact CE1-CG 3.91Å; F27-F161 HydrophobicContact CE2-CB 3.66Å; F27-F161 AromaticContact CE2-CD2 3.73Å; F27-F161 HydrophobicContact CE2-CD2 3.73Å; F27-F161 AromaticContact CE2-CG 3.82Å; F27-F161 HydrophobicContact CE2-CG 3.82Å; F27-F161 AromaticContact CG-CD2 3.32Å; F27-F161 HydrophobicContact CG-CD2 3.32Å; F27-F161 AromaticContact CG-CE2 3.42Å; F27-F161 HydrophobicContact CG-CE2 3.42Å; F27-F161 VanDerWaalsContact CG-CE2 3.42Å; F27-F161 AromaticContact CG-CG 3.95Å; F27-F161 HydrophobicContact CG-CG 3.95Å; F27-F161 HydrophobicContact CG-CZ 4.09Å; F27-F161 HydrophobicContact CZ-CB 3.72Å; F27-F161 HydrophobicContact CZ-CD1 4.37Å; F27-F161 HydrophobicContact CZ-CD2 4.11Å; F27-F161 AromaticContact CZ-CG 3.81Å; F27-F161 HydrophobicContact CZ-CG 3.81Å; I59-F161 HydrophobicContact CD1-CD1 3.96Å; I59-F161 HydrophobicContact CD1-CE1 3.61Å; I59-F161 HydrophobicContact CD1-CZ 4.29Å; I59-F161 HydrophobicContact CG1-CE1 4.2Å; I59-F161 HydrophobicContact CG2-CE1 4.14Å; I83-F161 HydrophobicContact CD1-CD1 4.09Å; I83-F161 HydrophobicContact CD1-CE1 3.66Å; I83-F161 HydrophobicContact CD1-CZ 4.11Å; V157-F161 VanDerWaalsContact O-CD2 3.23Å; V157-F161 WeakPolarHBondContact O-CD2 3.28Å; K158-F161 PolarHBondContact O-N 3.17Å; E159-F161 PolarHBondContact O-N 2.86Å; F161-L165 VanDerWaalsContact O-CG 3.23Å; F161-L165 WeakPolarHBondContact O-CG 3.44Å; F161-L165 PolarHBondContact O-N 3.17Å; F161-L165 VanDerWaalsContact O-N 3.1Å; F161-L175 HydrophobicContact CB-CD1 4.36Å; F161-L175 HydrophobicContact CB-CD2 4.48Å
162Q97.6Very high95.8Very high49 Ų4971.7 Ų71.723%0.22934%0.344CS..Hα-helixtrans-65.1-43.7176.4-177.856.659.400112.1K158 E159 L165 T166 L175K158-Q162 PolarHBondContact O-N 3.13Å; E159-Q162 PolarHBondContact O-N 3.27Å; Q162-L165 PolarHBondContact O-N 3.38Å; Q162-T166 PolarHBondContact NE2-OG1 3.46Å; Q162-T166 PolarHBondContact O-N 3.23Å; Q162-T166 PolarHBondContact O-OG1 3.07Å; Q162-L175 HydrophobicContact CB-CD1 3.94Å; Q162-L175 HydrophobicContact CB-CG 4.29Å
163E97.7Very high95.6Very high87 Ų8767.6 Ų67.641%0.40733%0.326SS..Hα-helixtrans-66.4-44.7179.3-170.463-161.500110.5M117 M147 E159 L165 T166 L167M117-E163 HydrophobicContact CE-CB 3.91Å; M117-E163 HydrophobicContact CE-CG 3.65Å; M147-E163 HydrophobicContact CE-CB 4.14Å; M147-E163 HydrophobicContact CE-CG 4.44Å; E159-E163 VanDerWaalsContact O-CB 3.25Å; E159-E163 WeakPolarHBondContact O-CB 3.42Å; E159-E163 PolarHBondContact O-N 3.18Å; E163-L165 VanDerWaalsContact C-N 3.29Å; E163-L165 PolarHBondContact O-N 2.78Å; E163-T166 WeakPolarHBondContact O-CA 3.45Å; E163-T166 WeakPolarHBondContact O-CB 3.44Å; E163-T166 PolarHBondContact O-N 3.37Å; E163-L167 WeakPolarHBondContact O-CG 3.43Å; E163-L167 PolarHBondContact O-N 2.68Å; E163-L167 VanDerWaalsContact O-N 3.1Å
164L97.7Very high95.4Very high1 Ų162.7 Ų62.71%0.00531%0.305CS..Hα-helixtrans-57.5-41.5175.7-174.274.6000112.3V10 A81 I83 P115 M117 L160 T166 L167V10-L164 HydrophobicContact CB-CD2 4.46Å; V10-L164 HydrophobicContact CG1-CD2 3.69Å; V10-L164 HydrophobicContact CG2-CD2 3.85Å; A81-L164 HydrophobicContact CB-CD1 4.25Å; A81-L164 HydrophobicContact CB-CD2 4Å; A81-L164 HydrophobicContact CB-CG 4.1Å; I83-L164 HydrophobicContact CD1-CD2 3.85Å; I83-L164 HydrophobicContact CG1-CD2 3.57Å; P115-L164 HydrophobicContact CB-CD1 3.9Å; P115-L164 HydrophobicContact CB-CG 4.43Å; M117-L164 HydrophobicContact CB-CD1 3.81Å; L160-L164 WeakPolarHBondContact O-CB 3.4Å; L160-L164 PolarHBondContact O-N 3.42Å; L164-T166 VanDerWaalsContact C-N 3.3Å; L164-T166 PolarHBondContact O-N 2.97Å; L164-L167 PolarHBondContact O-N 3.47Å
165L96.3Very high95.1Very high2 Ų259.5 Ų59.51%0.0129%0.288CS..Hα-helixtrans-66.2-33.5175.8-69.9174.2000112.4Y8 I48 L57 F161 Q162 E163 L167 E168 M173 L175Y8-L165 HydrophobicContact CD1-CD2 3.67Å; Y8-L165 HydrophobicContact CE1-CD2 3.81Å; I48-L165 HydrophobicContact CD1-CD1 3.92Å; I48-L165 HydrophobicContact CD1-CD2 3.9Å; L57-L165 HydrophobicContact CD1-CD2 4.15Å; F161-L165 VanDerWaalsContact O-CG 3.23Å; F161-L165 WeakPolarHBondContact O-CG 3.44Å; F161-L165 PolarHBondContact O-N 3.17Å; F161-L165 VanDerWaalsContact O-N 3.1Å; Q162-L165 PolarHBondContact O-N 3.38Å; E163-L165 VanDerWaalsContact C-N 3.29Å; E163-L165 PolarHBondContact O-N 2.78Å; L165-L167 VanDerWaalsContact C-N 3.29Å; L165-L167 PolarHBondContact O-N 3.04Å; L165-E168 WeakPolarHBondContact O-CB 3.45Å; L165-E168 PolarHBondContact O-N 2.81Å; L165-M173 HydrophobicContact CB-CB 4.12Å; L165-M173 HydrophobicContact CB-CE 4.49Å; L165-M173 HydrophobicContact CD2-CB 4.24Å; L165-M173 HydrophobicContact CD2-CE 3.79Å; L165-M173 HydrophobicContact CD2-SD 4.07Å; L165-L175 HydrophobicContact CD1-CD2 3.6Å; L165-L175 HydrophobicContact CD1-CG 4.17Å
166T95.3Very high94.5Very high86 Ų8658.9 Ų58.953%0.52829%0.29SS..Hα-helixtrans-71.3-25.2179.5-53.70000112.1Q162 E163 L164 E168Q162-T166 PolarHBondContact NE2-OG1 3.46Å; Q162-T166 PolarHBondContact O-N 3.23Å; Q162-T166 PolarHBondContact O-OG1 3.07Å; E163-T166 WeakPolarHBondContact O-CA 3.45Å; E163-T166 WeakPolarHBondContact O-CB 3.44Å; E163-T166 PolarHBondContact O-N 3.37Å; L164-T166 VanDerWaalsContact C-N 3.3Å; L164-T166 PolarHBondContact O-N 2.97Å; T166-E168 PolarHBondContact O-N 3.34Å
167L94.9Very high93.5Very high61 Ų6159.6 Ų59.632%0.31930%0.296SS..THydrogen-bonded Turntrans-71.1-15.5173.6-65.5173.4000113.4P115 M117 A145 E163 L164 L165 K169P115-L167 HydrophobicContact CB-CB 3.85Å; P115-L167 HydrophobicContact CG-CB 4.13Å; M117-L167 HydrophobicContact CE-CD1 4.38Å; A145-L167 HydrophobicContact CB-CD1 3.65Å; E163-L167 WeakPolarHBondContact O-CG 3.43Å; E163-L167 PolarHBondContact O-N 2.68Å; E163-L167 VanDerWaalsContact O-N 3.1Å; L164-L167 PolarHBondContact O-N 3.47Å; L165-L167 VanDerWaalsContact C-N 3.29Å; L165-L167 PolarHBondContact O-N 3.04Å; L167-K169 PolarHBondContact O-N 3.46Å
168E93.4Very high91.4Very high24 Ų2466.7 Ų66.711%0.11233%0.334CS..  trans-70.4120.5176.4179.457-111.400110.8Y8 P115 L165 T166 K170 R171 M173Y8-E168 HydrophobicContact CE2-CG 3.99Å; Y8-E168 VanDerWaalsContact CE2-OE2 3.25Å; Y8-E168 WeakPolarHBondContact CE2-OE2 3.47Å; Y8-E168 PolarHBondContact OH-OE2 3.43Å; P115-E168 HydrophobicContact CG-CB 4.2Å; L165-E168 WeakPolarHBondContact O-CB 3.45Å; L165-E168 PolarHBondContact O-N 2.81Å; T166-E168 PolarHBondContact O-N 3.34Å; E168-K170 VanDerWaalsContact OE1-CB 3.3Å; E168-K170 WeakPolarHBondContact OE1-CB 3.49Å; E168-K170 WeakPolarHBondContact OE1-CG 3.5Å; E168-K170 PolarHBondContact OE1-N 3.31Å; E168-R171 HydrophobicContact CG-CB 4.14Å; E168-M173 HydrophobicContact CB-CE 3.3Å; E168-M173 HydrophobicContact CG-CE 3.43Å; E168-M173 VanDerWaalsContact CG-CE 3.43Å
169K90.3Very high89.2Confident166 Ų16663.8 Ų63.872%0.72234%0.339SS*.SBendtrans-88.6-20.5-176.4-63.7175.3-174.5165.60113D112 L167D112-K169 PolarHBondContact O-NZ 3.05Å; L167-K169 PolarHBondContact O-N 3.46Å
170K88.6Confident86.3Confident170 Ų17068.6 Ų68.674%0.73936%0.358SS*.SBendtrans-90.7-18.9-173.4-61.4173.6-176.9168.20113.6E168E168-K170 VanDerWaalsContact OE1-CB 3.3Å; E168-K170 WeakPolarHBondContact OE1-CB 3.49Å; E168-K170 WeakPolarHBondContact OE1-CG 3.5Å; E168-K170 PolarHBondContact OE1-N 3.31Å
171R89.1Confident83.6Confident67 Ų6780.6 Ų80.625%0.25340%0.403SS..SBendtrans-141.2133.7-175.4-59.2-176.8-172.5-179.20.7109.1N6 E168 M173N6-R171 PolarHBondContact O-NH1 2.91Å; N6-R171 VanDerWaalsContact O-NH1 3.17Å; N6-R171 PolarHBondContact OD1-NH1 3.06Å; E168-R171 HydrophobicContact CG-CB 4.14Å; R171-M173 HydrophobicContact CB-CE 4.35Å; R171-M173 HydrophobicContact CB-CG 3.98Å; R171-M173 HydrophobicContact CB-SD 4.15Å; R171-M173 PolarHBondContact O-N 2.92Å
172N91Very high80.8Confident126 Ų12685.5 Ų85.567%0.67444%0.438SS*.  trans-83.9109.7171.2-1764.5000109.2C50 D51C50-N172 CarbonylContact C-O 3.58Å; C50-N172 VanDerWaalsContact CA-O 3.32Å; C50-N172 WeakPolarHBondContact CA-O 3.42Å; D51-N172 PolarHBondContact N-O 2.97Å; D51-N172 PolarHBondContact OD1-N 3.07Å
173M92.5Very high77.9Confident5 Ų586.6 Ų86.63%0.02546%0.462CS..EExtended strand (participates in β ladder)trans-124.8145.1-174-66.8177.6-58.800112.7Y8 I48 S49 C50 L165 E168 R171Y8-M173 HydrophobicContact CD1-CE 4.05Å; Y8-M173 HydrophobicContact CD1-SD 4.05Å; Y8-M173 HydrophobicContact CD2-CE 3.82Å; Y8-M173 HydrophobicContact CD2-SD 3.61Å; Y8-M173 HydrophobicContact CE1-CE 3.83Å; Y8-M173 HydrophobicContact CE1-SD 4.44Å; Y8-M173 HydrophobicContact CE2-CE 3.6Å; Y8-M173 HydrophobicContact CE2-SD 4.05Å; Y8-M173 HydrophobicContact CG-CE 4.03Å; Y8-M173 HydrophobicContact CG-SD 3.6Å; I48-M173 HydrophobicContact CD1-CB 4.34Å; I48-M173 HydrophobicContact CD1-CG 4.46Å; I48-M173 HydrophobicContact CD1-SD 4.25Å; S49-M173 VanDerWaalsContact O-CA 3.25Å; S49-M173 WeakPolarHBondContact O-CA 3.4Å; C50-M173 HydrophobicContact CB-CG 4.14Å; L165-M173 HydrophobicContact CB-CB 4.12Å; L165-M173 HydrophobicContact CB-CE 4.49Å; L165-M173 HydrophobicContact CD2-CB 4.24Å; L165-M173 HydrophobicContact CD2-CE 3.79Å; L165-M173 HydrophobicContact CD2-SD 4.07Å; E168-M173 HydrophobicContact CB-CE 3.3Å; E168-M173 HydrophobicContact CG-CE 3.43Å; E168-M173 VanDerWaalsContact CG-CE 3.43Å; R171-M173 HydrophobicContact CB-CE 4.35Å; R171-M173 HydrophobicContact CB-CG 3.98Å; R171-M173 HydrophobicContact CB-SD 4.15Å; R171-M173 PolarHBondContact O-N 2.92Å
174S93.9Very high74.9Confident26 Ų2692 Ų9218%0.18248%0.484CS..EExtended strand (participates in β ladder)trans-151.3155.4170.673.70000112.2I48 S49 S176I48-S174 WeakPolarHBondContact CB-O 3.31Å; S49-S174 PolarHBondContact N-O 3.15Å; S49-S174 PolarHBondContact O-N 3Å; S174-S176 PolarHBondContact O-N 2.94Å; S174-S176 PolarHBondContact OG-O 3.22Å
175L92.1Very high72.1Confident23 Ų23101 Ų10112%0.1253%0.526CS..SBendtrans-66.9-19.7177.4-62.2-178.2000113F27 I48 L57 K158 F161 Q162 L165 V177F27-L175 HydrophobicContact CE2-CD1 3.67Å; F27-L175 HydrophobicContact CE2-CD2 4.13Å; F27-L175 HydrophobicContact CZ-CD1 4.06Å; F27-L175 HydrophobicContact CZ-CD2 3.62Å; F27-L175 HydrophobicContact CZ-CG 4.49Å; I48-L175 HydrophobicContact CG2-CD2 3.94Å; L57-L175 HydrophobicContact CD2-CD2 4.38Å; K158-L175 HydrophobicContact CG-CD1 3.66Å; F161-L175 HydrophobicContact CB-CD1 4.36Å; F161-L175 HydrophobicContact CB-CD2 4.48Å; Q162-L175 HydrophobicContact CB-CD1 3.94Å; Q162-L175 HydrophobicContact CB-CG 4.29Å; L165-L175 HydrophobicContact CD1-CD2 3.6Å; L165-L175 HydrophobicContact CD1-CG 4.17Å; L175-V177 PolarHBondContact O-N 2.87Å
176S86.1Confident69.3Low66 Ų66110.4 Ų110.446%0.46257%0.567SS.*SBendtrans-85.9109179.4-500000109S49 S174 D178S49-S176 WeakPolarHBondContact CB-O 3.36Å; S174-S176 PolarHBondContact O-N 2.94Å; S174-S176 PolarHBondContact OG-O 3.22Å; S176-D178 PolarHBondContact O-N 3.29Å; S176-D178 VanDerWaalsContact O-N 3.11Å
177V76.4Confident66.5Low72 Ų72115 Ų11544%0.43658%0.582SS.*  trans-70.9105.8164.7-174.40000106.4V47 V54 L175 G179V47-V177 HydrophobicContact CG1-CG2 4.19Å; V54-V177 HydrophobicContact CG1-CG1 3.7Å; L175-V177 PolarHBondContact O-N 2.87Å; V177-G179 PolarHBondContact O-N 3.14Å
178D55Low63.9Low149 Ų149116 Ų11680%0.79760%0.6SS**  trans-55.3102.2-178.1-95.4-40.6000110.1S176S176-D178 PolarHBondContact O-N 3.29Å; S176-D178 VanDerWaalsContact O-N 3.11Å
179G49.8Very low61.3Low61 Ų61122.1 Ų122.163%0.62963%0.633SS**  trans-155.750.1-168.900000110.9V177V177-G179 PolarHBondContact O-N 3.14Å
180K37.7Very low58.9Low194 Ų194124 Ų12484%0.84364%0.641SS**  trans-168.2109.8153.8-105.5160.3-169.9-177.20111.8S182K180-S182 VanDerWaalsContact C-N 3.28Å; K180-S182 PolarHBondContact O-N 3.41Å
181R42.4Very low56.7Low253 Ų253123.3 Ų123.396%0.95565%0.645SS**  trans-55.895.7142.3-78.9176.6173171.8-2.5107.3G183R181-G183 VanDerWaalsContact C-N 3.29Å; R181-G183 PolarHBondContact O-N 3.02Å; R181-G183 VanDerWaalsContact O-N 3.15Å
182S38.9Very low54.3Low108 Ų108130.5 Ų130.576%0.75568%0.678SS**  trans-78.987.616049.20000107.5K180 K184K180-S182 VanDerWaalsContact C-N 3.28Å; K180-S182 PolarHBondContact O-N 3.41Å; S182-K184 PolarHBondContact O-N 3.47Å
183G36.3Very low51.7Low71 Ų71127.9 Ų127.973%0.73268%0.681SS**  trans-55.1114.8163.700000108.2R181 Q185R181-G183 VanDerWaalsContact C-N 3.29Å; R181-G183 PolarHBondContact O-N 3.02Å; R181-G183 VanDerWaalsContact O-N 3.15Å; G183-Q185 PolarHBondContact O-N 2.9Å
184K35.2Very low49.2Very low201 Ų201137.4 Ų137.487%0.87472%0.722SS**  trans-56.4101.6169.5-77.4178173.8177.40108.1S182 K186S182-K184 PolarHBondContact O-N 3.47Å; K184-K186 PolarHBondContact O-N 3.07Å
185Q40Very low46.4Very low190 Ų190142 Ų14289%0.88875%0.752SS**  trans-64.2104.9157.7-106.8173.4-19.300106.3G183 H187G183-Q185 PolarHBondContact O-N 2.9Å; Q185-H187 PolarHBondContact O-N 2.85Å
186K36.8Very low43.9Very low199 Ų199146.1 Ų146.187%0.86578%0.783SS**  trans-62.699.7168.2-73.1-179174.6-179.80107.3K184 A188K184-K186 PolarHBondContact O-N 3.07Å; K186-A188 PolarHBondContact O-N 3.04Å; K186-A188 VanDerWaalsContact O-N 3.16Å
187H36.4Very low41.8Very low182 Ų182150.1 Ų150.184%0.84380%0.798SS**  trans-73101.4161.6-135-73.7000106.4Q185 D189Q185-H187 PolarHBondContact O-N 2.85Å; H187-D189 PolarHBondContact O-N 3.26Å
188A40.8Very low39.8Very low84 Ų84159 Ų15969%0.69484%0.838SS**  trans-78110.5171.500000108K186 K190K186-A188 PolarHBondContact O-N 3.04Å; K186-A188 VanDerWaalsContact O-N 3.16Å; A188-K190 PolarHBondContact O-N 3.24Å; A188-K190 VanDerWaalsContact O-N 3.15Å
189D38.2Very low39.1Very low151 Ų151159.5 Ų159.581%0.80784%0.84SS**  trans-58.2111.6165.8-86.1-36.3000109.8H187H187-D189 PolarHBondContact O-N 3.26Å
190K40.2Very low38.5Very low206 Ų206164.6 Ų164.690%0.89685%0.851SS**  trans-10788.6161.4-102.5-175.1177.2-179.80108.3A188A188-K190 PolarHBondContact O-N 3.24Å; A188-K190 VanDerWaalsContact O-N 3.15Å
191L42.8Very low38.6Very low156 Ų156163 Ų16382%0.81785%0.851SS**  trans-128.4105.1159.1-95134000107.6
192K37.3Very low38.3Very low217 Ų217157.7 Ų157.794%0.94385%0.845SS**  trans-169.8110.4148-106.8168.1-172.4-174.80111.6
193G36.5Very low38.3Very low71 Ų71160.8 Ų160.873%0.73285%0.851SS**  trans90.7107.2136.600000117.4
194K41.6Very low38.4Very low206 Ų206166.8 Ų166.890%0.89686%0.859SS**  171.9115.490.3-89173.9179.4-177.70109.4
195C33.9Very low38.7Very low121 Ų121164.4 Ų164.482%0.81886%0.858SS**  trans-103.9122.3155.9-169.90000106
196S40Very low38.6Very low110 Ų110162.4 Ų162.477%0.76986%0.855SS**  trans-151.3100.7160.8570000107.2
197I41.4Very low38.7Very low151 Ų151159.3 Ų159.377%0.77486%0.855SS**  trans-87111.6162.5-64.9169.8000105.6
198M35.4Very low38.9Very low257 Ų257157.3 Ų157.3100%1.26686%0.856SS**  trans177.50142.4-101.6-174.4-75.400108.3

Retrieved 198 of 198 residues in 1025.7 ms (Link to these results)

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