A0A077ZG37_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZG37, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 229 aa.

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

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
1M48.3Very low58.9Low243 Ų243150.5 Ų150.5100%1.19778%0.783SS**  01180-69.1-177.7169.400108.1Q3M1-Q3 PolarHBondContact O-N 2.62Å
2A49.3Very low60.4Low108 Ų108141 Ų14189%0.89374%0.74SS**  trans-71118.5-176.400000110.5A4A2-A4 PolarHBondContact O-N 3.39Å
3Q53.6Low62Low189 Ų189137.5 Ų137.588%0.88373%0.734SS**  trans-72.3112.6173.1-66.5-174.87.100108.8M1 S5M1-Q3 PolarHBondContact O-N 2.62Å; Q3-S5 PolarHBondContact O-N 2.81Å
4A50Low63.6Low92 Ų92136.4 Ų136.476%0.7672%0.722SS**  trans-66111.7170.100000109A2 K6A2-A4 PolarHBondContact O-N 3.39Å; A4-K6 PolarHBondContact O-N 3.48Å; A4-K6 VanDerWaalsContact O-N 3.13Å
5S55.6Low65.1Low108 Ų108128.8 Ų128.876%0.75568%0.68SS**  trans-67.9112.1173.561.40000109.3Q3 K7Q3-S5 PolarHBondContact O-N 2.81Å; S5-K7 PolarHBondContact O-N 3.18Å; S5-K7 VanDerWaalsContact O-N 3.11Å
6K63.7Low66.6Low202 Ų202121.8 Ų121.888%0.87864%0.643SS**  trans-70107172.1-66.5178-177174.70107.5A4 C8A4-K6 PolarHBondContact O-N 3.48Å; A4-K6 VanDerWaalsContact O-N 3.13Å; K6-C8 PolarHBondContact O-N 2.87Å
7K60.8Low67.9Low200 Ų200123.8 Ų123.887%0.8764%0.64SS**  trans-59103.5172.8-68177.4-178.3178.30108.7S5S5-K7 PolarHBondContact O-N 3.18Å; S5-K7 VanDerWaalsContact O-N 3.11Å
8C57.7Low69Low91 Ų91119.8 Ų119.862%0.61562%0.617SS**PPolyproline II helixtrans-75.3128.7171.6-154.60000108.1K6 Q10K6-C8 PolarHBondContact O-N 2.87Å; C8-Q10 PolarHBondContact O-N 2.98Å
9R62.8Low70.1Confident171 Ų171113.5 Ų113.565%0.64558%0.584SS**PPolyproline II helixtrans-71.1116.2173.1-71.4-178.1177.3-137.7-3.4107.7M44R9-M44 HydrophobicContact CB-CE 4.23Å; R9-M44 VanDerWaalsContact O-CE 3.25Å; R9-M44 WeakPolarHBondContact O-CE 3.38Å
10Q70Confident71.1Confident181 Ų181107.8 Ų107.885%0.84656%0.555SS**PPolyproline II helixtrans-62.1147.1170.2-71.3175.2-19.900109.7C8 S12C8-Q10 PolarHBondContact O-N 2.98Å; Q10-S12 PolarHBondContact O-N 3Å
11Y75.9Confident71.9Confident70 Ų70102.7 Ų102.728%0.27553%0.529SS..PPolyproline II helixtrans-64127.6174.2173.5-89.7000109.1Y15 F20 A21 V22 M44Y11-Y15 AromaticContact CD2-CD2 3.84Å; Y11-Y15 HydrophobicContact CD2-CD2 3.84Å; Y11-Y15 AromaticContact CE2-CD2 3.94Å; Y11-Y15 HydrophobicContact CE2-CD2 3.94Å; Y11-Y15 HydrophobicContact CE2-CG 4.46Å; Y11-Y15 HydrophobicContact CG-CD2 4.43Å; Y11-F20 PolarHBondContact OH-O 3.45Å; Y11-A21 WeakPolarHBondContact OH-CA 3.25Å; Y11-V22 HydrophobicContact CD1-CG2 3.97Å; Y11-V22 HydrophobicContact CD2-CG2 3.52Å; Y11-V22 HydrophobicContact CE1-CG2 4.39Å; Y11-V22 HydrophobicContact CE2-CG2 3.99Å; Y11-V22 HydrophobicContact CG-CG2 3.53Å; Y11-M44 HydrophobicContact CD2-SD 3.72Å; Y11-M44 HydrophobicContact CG-SD 4.33Å
12S77.6Confident73.8Confident37 Ų3792.5 Ų92.526%0.25948%0.48SS..PPolyproline II helixtrans-95.2135.3173.3175.60000109.1Q10 E14 Y15Q10-S12 PolarHBondContact O-N 3Å; S12-E14 PolarHBondContact O-N 3.35Å; S12-E14 VanDerWaalsContact O-N 3.1Å; S12-E14 WeakPolarHBondContact OG-CB 3.12Å; S12-E14 WeakPolarHBondContact OG-CG 3.18Å; S12-E14 PolarHBondContact OG-N 3.3Å; S12-Y15 WeakPolarHBondContact O-CB 3.36Å; S12-Y15 WeakPolarHBondContact O-CD2 3.33Å; S12-Y15 PolarHBondContact O-N 3.16Å
13S81.2Confident75Confident95 Ų9588.6 Ų88.666%0.66444%0.444SS*.G310 helixtrans-58.5-20.1173.454.60000112.8Y15 L16S13-Y15 PolarHBondContact O-N 3.34Å; S13-L16 WeakPolarHBondContact O-CB 3.39Å; S13-L16 PolarHBondContact O-N 2.82Å; S13-L16 VanDerWaalsContact O-N 3.15Å
14E84.5Confident75.9Confident123 Ų12382 Ų8258%0.57542%0.417SS*.G310 helixtrans-63.1-21.6174.2-61.7-177.3159.800113.3S12 L16 R17S12-E14 PolarHBondContact O-N 3.35Å; S12-E14 VanDerWaalsContact O-N 3.1Å; S12-E14 WeakPolarHBondContact OG-CB 3.12Å; S12-E14 WeakPolarHBondContact OG-CG 3.18Å; S12-E14 PolarHBondContact OG-N 3.3Å; E14-L16 PolarHBondContact O-N 3.37Å; E14-R17 WeakPolarHBondContact O-CB 2.92Å; E14-R17 VanDerWaalsContact O-CG 3.3Å; E14-R17 WeakPolarHBondContact O-CG 3.22Å; E14-R17 PolarHBondContact O-N 2.8Å
15Y86.4Confident76.9Confident22 Ų2281.8 Ų81.89%0.08642%0.424CS..G310 helixtrans-68.6-15.7176.9-59.7-39.7000113.3Y11 S12 S13 R17 F18 F20 M44 P46 L49Y11-Y15 AromaticContact CD2-CD2 3.84Å; Y11-Y15 HydrophobicContact CD2-CD2 3.84Å; Y11-Y15 AromaticContact CE2-CD2 3.94Å; Y11-Y15 HydrophobicContact CE2-CD2 3.94Å; Y11-Y15 HydrophobicContact CE2-CG 4.46Å; Y11-Y15 HydrophobicContact CG-CD2 4.43Å; S12-Y15 WeakPolarHBondContact O-CB 3.36Å; S12-Y15 WeakPolarHBondContact O-CD2 3.33Å; S12-Y15 PolarHBondContact O-N 3.16Å; S13-Y15 PolarHBondContact O-N 3.34Å; Y15-R17 PolarHBondContact O-N 3.18Å; Y15-F18 HydrophobicContact CD1-CD2 4.33Å; Y15-F18 HydrophobicContact CD1-CE2 4.44Å; Y15-F18 PolarHBondContact O-N 3.39Å; Y15-F20 CarbonylContact C-O 3.52Å; Y15-F20 PolarHBondContact O-N 3.48Å; Y15-M44 HydrophobicContact CD2-CG 3.88Å; Y15-M44 HydrophobicContact CD2-SD 3.94Å; Y15-M44 HydrophobicContact CE2-CE 3.93Å; Y15-M44 HydrophobicContact CE2-CG 3.6Å; Y15-M44 HydrophobicContact CE2-SD 3.72Å; Y15-P46 HydrophobicContact CE1-CB 4.37Å; Y15-P46 HydrophobicContact CE1-CG 3.97Å; Y15-L49 HydrophobicContact CD1-CD1 3.71Å; Y15-L49 HydrophobicContact CE1-CD1 4.36Å; Y15-L49 HydrophobicContact CG-CD1 3.82Å
16L88.8Confident77.4Confident17 Ų1778.7 Ų78.79%0.08940%0.401CS..G310 helixtrans-59.6-30.1172.4-17060.4000112.1S13 E14 F18 G19 F20 L33 V65 Y68 Q69 K72S13-L16 WeakPolarHBondContact O-CB 3.39Å; S13-L16 PolarHBondContact O-N 2.82Å; S13-L16 VanDerWaalsContact O-N 3.15Å; E14-L16 PolarHBondContact O-N 3.37Å; L16-F18 PolarHBondContact O-N 3.19Å; L16-G19 PolarHBondContact O-N 2.93Å; L16-F20 WeakPolarHBondContact CA-O 3.45Å; L16-F20 PolarHBondContact N-O 2.81Å; L16-L33 HydrophobicContact CD1-CD1 3.8Å; L16-V65 HydrophobicContact CD2-CG1 4.47Å; L16-Y68 WeakPolarHBondContact O-CB 3.44Å; L16-Q69 HydrophobicContact CD2-CB 4.4Å; L16-Q69 HydrophobicContact CD2-CG 3.38Å; L16-Q69 HydrophobicContact CG-CG 4.49Å; L16-K72 HydrophobicContact CD1-CB 4.49Å; L16-K72 HydrophobicContact CD1-CD 4.32Å
17R88.1Confident78Confident155 Ų15576.1 Ų76.159%0.58539%0.392SS*.G310 helixtrans-60.9-24.3174.9-54.9-164.9169.1168.5-4.2113.2E14 Y15 V65E14-R17 WeakPolarHBondContact O-CB 2.92Å; E14-R17 VanDerWaalsContact O-CG 3.3Å; E14-R17 WeakPolarHBondContact O-CG 3.22Å; E14-R17 PolarHBondContact O-N 2.8Å; Y15-R17 PolarHBondContact O-N 3.18Å; R17-V65 HydrophobicContact CB-CG2 4.31Å; R17-V65 HydrophobicContact CG-CB 4.47Å; R17-V65 HydrophobicContact CG-CG1 4.16Å; R17-V65 HydrophobicContact CG-CG2 3.56Å
18F88.2Confident78.7Confident52 Ų5273.5 Ų73.523%0.22838%0.382CS..G310 helixtrans-96.26.2176.7-53.5-66.6000112.7Y15 L16 F20 P46 L49 K50Y15-F18 HydrophobicContact CD1-CD2 4.33Å; Y15-F18 HydrophobicContact CD1-CE2 4.44Å; Y15-F18 PolarHBondContact O-N 3.39Å; L16-F18 PolarHBondContact O-N 3.19Å; F18-F20 HydrophobicContact CB-CD2 3.85Å; F18-F20 HydrophobicContact CB-CE2 4.21Å; F18-F20 WeakPolarHBondContact O-CD2 3.35Å; F18-F20 VanDerWaalsContact O-CE2 3.3Å; F18-F20 WeakPolarHBondContact O-CE2 3.44Å; F18-P46 HydrophobicContact CE2-CB 3.96Å; F18-P46 HydrophobicContact CZ-CB 4.25Å; F18-L49 HydrophobicContact CB-CB 3.99Å; F18-L49 HydrophobicContact CD2-CB 4.33Å; F18-L49 HydrophobicContact CD2-CD1 4.43Å; F18-L49 HydrophobicContact CG-CB 4.23Å; F18-K50 HydrophobicContact CD1-CB 4.02Å; F18-K50 HydrophobicContact CD1-CG 4.42Å; F18-K50 HydrophobicContact CE1-CB 4.03Å; F18-K50 HydrophobicContact CE1-CD 4.35Å; F18-K50 HydrophobicContact CE1-CG 4.31Å
19G89.5Confident79.9Confident0 Ų070.9 Ų70.90%036%0.362CS..THydrogen-bonded Turntrans78.827.6-178.900000115.1L16 L33L16-G19 PolarHBondContact O-N 2.93Å; G19-L33 PolarHBondContact O-N 3.45Å
20F90.3Very high81Confident0 Ų062.8 Ų62.80%033%0.331CS..EExtended strand (participates in β ladder)trans-116.9135.6178.8-68.5-92.9000111.8Y11 Y15 L16 F18 V31 C32 F39 L49 H52Y11-F20 PolarHBondContact OH-O 3.45Å; Y15-F20 CarbonylContact C-O 3.52Å; Y15-F20 PolarHBondContact O-N 3.48Å; L16-F20 WeakPolarHBondContact CA-O 3.45Å; L16-F20 PolarHBondContact N-O 2.81Å; F18-F20 HydrophobicContact CB-CD2 3.85Å; F18-F20 HydrophobicContact CB-CE2 4.21Å; F18-F20 WeakPolarHBondContact O-CD2 3.35Å; F18-F20 VanDerWaalsContact O-CE2 3.3Å; F18-F20 WeakPolarHBondContact O-CE2 3.44Å; F20-V31 WeakPolarHBondContact CA-O 3.4Å; F20-C32 HydrophobicContact CD1-CB 4.17Å; F20-C32 HydrophobicContact CE1-CB 3.8Å; F20-C32 HydrophobicContact CZ-CB 4.38Å; F20-F39 HydrophobicContact CD1-CD2 4.36Å; F20-F39 AromaticContact CE1-CD2 3.67Å; F20-F39 HydrophobicContact CE1-CD2 3.67Å; F20-F39 AromaticContact CE1-CE2 3.54Å; F20-F39 HydrophobicContact CE1-CE2 3.54Å; F20-F39 HydrophobicContact CE1-CG 4.37Å; F20-F39 HydrophobicContact CE1-CZ 4.12Å; F20-F39 HydrophobicContact CZ-CE2 4.21Å; F20-F39 HydrophobicContact CZ-CZ 4.39Å; F20-L49 HydrophobicContact CD1-CD2 3.85Å; F20-L49 HydrophobicContact CD2-CB 3.84Å; F20-L49 HydrophobicContact CD2-CD1 4.15Å; F20-L49 HydrophobicContact CD2-CD2 3.82Å; F20-L49 HydrophobicContact CD2-CG 4.13Å; F20-L49 HydrophobicContact CE1-CD2 3.7Å; F20-L49 HydrophobicContact CE2-CB 3.56Å; F20-L49 HydrophobicContact CE2-CD2 3.7Å; F20-L49 HydrophobicContact CE2-CG 4.12Å; F20-L49 HydrophobicContact CG-CD1 4.36Å; F20-L49 HydrophobicContact CG-CD2 3.87Å; F20-L49 HydrophobicContact CZ-CB 4.21Å; F20-L49 HydrophobicContact CZ-CD2 3.6Å; F20-L49 HydrophobicContact CZ-CG 4.47Å; F20-H52 HydrophobicContact CZ-CB 4.05Å; F20-H52 AromaticContact CZ-CD2 3.36Å; F20-H52 WeakPolarHBondContact CZ-CD2 3.09Å; F20-H52 AromaticContact CZ-CG 3.88Å
21A88.8Confident81.9Confident0 Ų054.7 Ų54.70%030%0.295CS..EExtended strand (participates in β ladder)trans-135.5158.2174.500000111.1Y11 V31 L33 K72Y11-A21 WeakPolarHBondContact OH-CA 3.25Å; A21-V31 PolarHBondContact N-O 2.82Å; A21-V31 PolarHBondContact O-N 2.89Å; A21-L33 HydrophobicContact CB-CD1 4.13Å; A21-L33 HydrophobicContact CB-CD2 3.83Å; A21-L33 HydrophobicContact CB-CG 4.09Å; A21-K72 HydrophobicContact CB-CD 4.01Å; A21-K72 HydrophobicContact CB-CG 4.08Å
22V86.8Confident82.7Confident30 Ų3051.4 Ų51.418%0.18228%0.282CS..EExtended strand (participates in β ladder)trans-87.2121.9165.4175.70000107.1Y11 H28Y11-V22 HydrophobicContact CD1-CG2 3.97Å; Y11-V22 HydrophobicContact CD2-CG2 3.52Å; Y11-V22 HydrophobicContact CE1-CG2 4.39Å; Y11-V22 HydrophobicContact CE2-CG2 3.99Å; Y11-V22 HydrophobicContact CG-CG2 3.53Å; V22-H28 HydrophobicContact CG1-CB 4.38Å
23M75.7Confident83.2Confident25 Ų2549.9 Ų49.912%0.12327%0.271CS..PPolyproline II helixtrans-92.5139.5175-66.1-59.9-62.600110.1G25 T26 V31 L33 K75 E76M23-G25 PolarHBondContact O-N 3.39Å; M23-T26 PolarHBondContact O-N 3.29Å; M23-T26 PolarHBondContact O-OG1 3.19Å; M23-V31 HydrophobicContact CB-CG2 4.44Å; M23-V31 HydrophobicContact CG-CB 4.22Å; M23-V31 HydrophobicContact CG-CG2 4.2Å; M23-L33 HydrophobicContact SD-CD2 4.44Å; M23-K75 HydrophobicContact CE-CB 3.83Å; M23-K75 HydrophobicContact SD-CB 4.38Å; M23-E76 HydrophobicContact CE-CG 4.28Å
24P71.4Confident83.7Confident51 Ų5147.4 Ų47.433%0.33125%0.25SC..THydrogen-bonded Turntrans-59134.9168.726.6-33.2000109.6E79P24-E79 HydrophobicContact CG-CG 4.09Å
25G70.3Confident83.9Confident87 Ų8743.6 Ų43.690%0.89724%0.236SC*.THydrogen-bonded Turntrans94.8-7.5-174.900000115.7M23M23-G25 PolarHBondContact O-N 3.39Å
26T67.5Low83.9Confident44 Ų4448.8 Ų48.827%0.2726%0.261SS..SBendtrans-102.8148.6164.664.10000109.3M23 H28 L29 V31M23-T26 PolarHBondContact O-N 3.29Å; M23-T26 PolarHBondContact O-OG1 3.19Å; T26-H28 PolarHBondContact O-N 3.1Å; T26-L29 PolarHBondContact OG1-O 3.46Å; T26-V31 HydrophobicContact CG2-CG2 4.12Å
27E75.4Confident83.9Confident148 Ų14854 Ų5469%0.69228%0.28SS*.SBendtrans-67.148.7-174.4-60.7177.917700114.7L29 K41E27-L29 HydrophobicContact CB-CG 4.33Å; E27-L29 PolarHBondContact O-N 3.2Å; E27-K41 WeakPolarHBondContact O-CE 3.39Å; E27-K41 PolarHBondContact O-NZ 2.87Å; E27-K41 VanDerWaalsContact O-NZ 3.11Å
28H76.9Confident84Confident145 Ų14550.5 Ų50.567%0.67128%0.275SS*.SBendtrans54.832.5-166.8-52.6-71.9000113.1V22 T26V22-H28 HydrophobicContact CG1-CB 4.38Å; T26-H28 PolarHBondContact O-N 3.1Å
29L82.3Confident83.9Confident36 Ų3649.9 Ų49.919%0.18827%0.273CS..  trans-85.5131.9177.3-64.6178.5000109.4T26 E27 V31 V38 K41T26-L29 PolarHBondContact OG1-O 3.46Å; E27-L29 HydrophobicContact CB-CG 4.33Å; E27-L29 PolarHBondContact O-N 3.2Å; L29-V31 PolarHBondContact O-N 3.46Å; L29-V38 HydrophobicContact CB-CG1 3.49Å; L29-V38 VanDerWaalsContact CB-CG1 3.49Å; L29-V38 HydrophobicContact CD1-CG1 3.61Å; L29-V38 HydrophobicContact CG-CG1 4.19Å; L29-K41 HydrophobicContact CD2-CD 4.32Å; L29-K41 HydrophobicContact CD2-CG 3.55Å
30P86.3Confident83.7Confident0 Ų052.7 Ų52.70%029%0.292CS..EExtended strand (participates in β ladder)trans-66.3128.9176.123-29000110.2F39 M44P30-F39 WeakPolarHBondContact CD-O 3.2Å; P30-F39 HydrophobicContact CG-CB 4.03Å; P30-F39 PolarHBondContact O-N 2.98Å; P30-M44 HydrophobicContact CB-SD 4.45Å; P30-M44 HydrophobicContact CG-CB 4.07Å; P30-M44 HydrophobicContact CG-CG 4Å; P30-M44 HydrophobicContact CG-SD 4.05Å
31V89Confident83.3Confident12 Ų1257.1 Ų57.17%0.07331%0.312CS..EExtended strand (participates in β ladder)trans-109.7136177.4-173.40000108.7F20 A21 M23 T26 L29 L33 R37 V38F20-V31 WeakPolarHBondContact CA-O 3.4Å; A21-V31 PolarHBondContact N-O 2.82Å; A21-V31 PolarHBondContact O-N 2.89Å; M23-V31 HydrophobicContact CB-CG2 4.44Å; M23-V31 HydrophobicContact CG-CB 4.22Å; M23-V31 HydrophobicContact CG-CG2 4.2Å; T26-V31 HydrophobicContact CG2-CG2 4.12Å; L29-V31 PolarHBondContact O-N 3.46Å; V31-L33 PolarHBondContact O-N 3.13Å; V31-R37 WeakPolarHBondContact CA-O 3.17Å; V31-V38 HydrophobicContact CG2-CG2 4.16Å
32C91Very high82.9Confident1 Ų164.7 Ų64.71%0.00735%0.347CS..EExtended strand (participates in β ladder)trans-70.9123.5170-178.90000109.7F20 L34 E36 R37 F39F20-C32 HydrophobicContact CD1-CB 4.17Å; F20-C32 HydrophobicContact CE1-CB 3.8Å; F20-C32 HydrophobicContact CZ-CB 4.38Å; C32-L34 PolarHBondContact O-N 3.32Å; C32-L34 PolarHBondContact SG-N 3Å; C32-E36 WeakPolarHBondContact O-CA 3.3Å; C32-E36 PolarHBondContact O-N 3.47Å; C32-R37 PolarHBondContact N-O 3.27Å; C32-F39 HydrophobicContact CB-CE2 4.43Å
33L89.7Confident82.4Confident4 Ų464.4 Ų64.42%0.02135%0.346CS..THydrogen-bonded Turntrans-68.4-17.6179.7-66.5173.6000113.1L16 G19 A21 M23 V31 L71 K72 K75L16-L33 HydrophobicContact CD1-CD1 3.8Å; G19-L33 PolarHBondContact O-N 3.45Å; A21-L33 HydrophobicContact CB-CD1 4.13Å; A21-L33 HydrophobicContact CB-CD2 3.83Å; A21-L33 HydrophobicContact CB-CG 4.09Å; M23-L33 HydrophobicContact SD-CD2 4.44Å; V31-L33 PolarHBondContact O-N 3.13Å; L33-L71 HydrophobicContact CB-CD2 3.71Å; L33-L71 HydrophobicContact CB-CG 4.25Å; L33-K72 HydrophobicContact CD1-CB 4.13Å; L33-K75 HydrophobicContact CD2-CD 4.14Å; L33-K75 WeakPolarHBondContact O-CE 3.24Å; L33-K75 PolarHBondContact O-NZ 2.9Å
34L89.9Confident82.5Confident43 Ų4363.5 Ų63.523%0.22534%0.342CS..THydrogen-bonded Turntrans-93.7-41.1-176.5-59.6174.1000113.4C32 L53 H57 M60 Y67 Y68 L71C32-L34 PolarHBondContact O-N 3.32Å; C32-L34 PolarHBondContact SG-N 3Å; L34-L53 HydrophobicContact CD1-CD1 3.8Å; L34-H57 HydrophobicContact CD1-CB 3.64Å; L34-M60 HydrophobicContact CD1-CB 3.68Å; L34-M60 HydrophobicContact CD1-CG 4.05Å; L34-M60 HydrophobicContact CD2-CG 4.29Å; L34-Y67 HydrophobicContact CD2-CE1 4.36Å; L34-Y68 HydrophobicContact CD1-CE1 4.18Å; L34-Y68 HydrophobicContact CD2-CE1 4.3Å; L34-Y68 HydrophobicContact CG-CE1 4.29Å; L34-L71 HydrophobicContact CD2-CD2 3.79Å
35C90.2Very high83.2Confident44 Ų4465.7 Ų65.730%0.29735%0.346SS..THydrogen-bonded Turntrans-1182.6-17964.90000114.8R37 H52 H57C35-R37 PolarHBondContact O-N 2.77Å; C35-H52 PolarHBondContact SG-NE2 3.22Å; C35-H57 WeakPolarHBondContact CB-NE2 3.36Å
36E86.5Confident83.9Confident130 Ų13063.9 Ų63.961%0.60732%0.319SS*.  trans60.514.4176.5-55-172.4171.900115C32 V38 K75C32-E36 WeakPolarHBondContact O-CA 3.3Å; C32-E36 PolarHBondContact O-N 3.47Å; E36-V38 PolarHBondContact O-N 3.08Å; E36-K75 VanDerWaalsContact CG-NZ 3.29Å; E36-K75 IonicContact OE1-NZ 2.71Å; E36-K75 PolarHBondContact OE1-NZ 3.14Å
37R88.6Confident84.9Confident128 Ų12866 Ų6648%0.48333%0.333SS..  trans-69.2128174.2-72.3-178.9-178.5-131.3-13.1110.7V31 C32 C35 F39V31-R37 WeakPolarHBondContact CA-O 3.17Å; C32-R37 PolarHBondContact N-O 3.27Å; C35-R37 PolarHBondContact O-N 2.77Å; R37-F39 HydrophobicContact CB-CE2 3.86Å; R37-F39 WeakPolarHBondContact O-CD2 3.39Å
38V88.6Confident85.5Confident80 Ų8064.2 Ų64.249%0.48532%0.32SS..BIsolated β-bridgetrans-84133.7173.2-1730000109.5L29 V31 E36L29-V38 HydrophobicContact CB-CG1 3.49Å; L29-V38 VanDerWaalsContact CB-CG1 3.49Å; L29-V38 HydrophobicContact CD1-CG1 3.61Å; L29-V38 HydrophobicContact CG-CG1 4.19Å; V31-V38 HydrophobicContact CG2-CG2 4.16Å; E36-V38 PolarHBondContact O-N 3.08Å
39F87.4Confident86.1Confident39 Ų3957.3 Ų57.317%0.17129%0.288CS..  trans-111.3146.3179.4-77.1-102.7000111.3F20 P30 C32 R37 H52F20-F39 HydrophobicContact CD1-CD2 4.36Å; F20-F39 AromaticContact CE1-CD2 3.67Å; F20-F39 HydrophobicContact CE1-CD2 3.67Å; F20-F39 AromaticContact CE1-CE2 3.54Å; F20-F39 HydrophobicContact CE1-CE2 3.54Å; F20-F39 HydrophobicContact CE1-CG 4.37Å; F20-F39 HydrophobicContact CE1-CZ 4.12Å; F20-F39 HydrophobicContact CZ-CE2 4.21Å; F20-F39 HydrophobicContact CZ-CZ 4.39Å; P30-F39 WeakPolarHBondContact CD-O 3.2Å; P30-F39 HydrophobicContact CG-CB 4.03Å; P30-F39 PolarHBondContact O-N 2.98Å; C32-F39 HydrophobicContact CB-CE2 4.43Å; R37-F39 HydrophobicContact CB-CE2 3.86Å; R37-F39 WeakPolarHBondContact O-CD2 3.39Å; F39-H52 HydrophobicContact CZ-CB 4.35Å; F39-H52 AromaticContact CZ-CE1 3.7Å; F39-H52 AromaticContact CZ-CG 3.77Å; F39-H52 AromaticContact CZ-ND1 3.47Å; F39-H52 WeakPolarHBondContact CZ-ND1 3.44Å
40S85.7Confident86.4Confident59 Ų5961.3 Ų61.341%0.41330%0.304SS..  trans-64.8149.617163.50000111.3E42 S43S40-E42 PolarHBondContact O-N 3.27Å; S40-E42 VanDerWaalsContact O-N 3.14Å; S40-S43 WeakPolarHBondContact O-CA 3.17Å; S40-S43 WeakPolarHBondContact O-CB 3.17Å; S40-S43 PolarHBondContact O-N 2.99Å; S40-S43 PolarHBondContact OG-OG 3.38Å
41K81.2Confident86.7Confident94 Ų9469 Ų6941%0.40933%0.333SS..G310 helixtrans-53.7-35.6177.8-59.9-178.5179.8171.80112.1E27 L29 S43 M44E27-K41 WeakPolarHBondContact O-CE 3.39Å; E27-K41 PolarHBondContact O-NZ 2.87Å; E27-K41 VanDerWaalsContact O-NZ 3.11Å; L29-K41 HydrophobicContact CD2-CD 4.32Å; L29-K41 HydrophobicContact CD2-CG 3.55Å; K41-S43 VanDerWaalsContact C-N 3.28Å; K41-S43 PolarHBondContact O-N 3.38Å; K41-M44 VanDerWaalsContact O-CB 3.23Å; K41-M44 WeakPolarHBondContact O-CB 3.37Å; K41-M44 PolarHBondContact O-N 3.04Å
42E79.9Confident86.8Confident159 Ų15969.5 Ų69.574%0.74333%0.334SS*.G310 helixtrans-69.2-25.3178.2-57.9-171.5167.400114S40 M44S40-E42 PolarHBondContact O-N 3.27Å; S40-E42 VanDerWaalsContact O-N 3.14Å; E42-M44 VanDerWaalsContact C-N 3.28Å
43S76.2Confident86.8Confident23 Ų2369.8 Ų69.816%0.16134%0.336CS..G310 helixtrans-83-7.5178.5-62.20000113.2S40 K41 K45 R48S40-S43 WeakPolarHBondContact O-CA 3.17Å; S40-S43 WeakPolarHBondContact O-CB 3.17Å; S40-S43 PolarHBondContact O-N 2.99Å; S40-S43 PolarHBondContact OG-OG 3.38Å; K41-S43 VanDerWaalsContact C-N 3.28Å; K41-S43 PolarHBondContact O-N 3.38Å; S43-K45 PolarHBondContact O-N 3.03Å; S43-R48 PolarHBondContact OG-NH1 3.41Å
44M79.4Confident86.9Confident7 Ų774 Ų743%0.03436%0.357CS..  trans-73.757.2175.8-162.7177.867.400111.9R9 Y11 Y15 P30 K41 E42R9-M44 HydrophobicContact CB-CE 4.23Å; R9-M44 VanDerWaalsContact O-CE 3.25Å; R9-M44 WeakPolarHBondContact O-CE 3.38Å; Y11-M44 HydrophobicContact CD2-SD 3.72Å; Y11-M44 HydrophobicContact CG-SD 4.33Å; Y15-M44 HydrophobicContact CD2-CG 3.88Å; Y15-M44 HydrophobicContact CD2-SD 3.94Å; Y15-M44 HydrophobicContact CE2-CE 3.93Å; Y15-M44 HydrophobicContact CE2-CG 3.6Å; Y15-M44 HydrophobicContact CE2-SD 3.72Å; P30-M44 HydrophobicContact CB-SD 4.45Å; P30-M44 HydrophobicContact CG-CB 4.07Å; P30-M44 HydrophobicContact CG-CG 4Å; P30-M44 HydrophobicContact CG-SD 4.05Å; K41-M44 VanDerWaalsContact O-CB 3.23Å; K41-M44 WeakPolarHBondContact O-CB 3.37Å; K41-M44 PolarHBondContact O-N 3.04Å; E42-M44 VanDerWaalsContact C-N 3.28Å
45K84.4Confident87.1Confident97 Ų9782.1 Ų82.142%0.42239%0.385SS..  trans-111129172.2-63.1-176.9-176.6-179.20107.6S43 P47 R48 L49S43-K45 PolarHBondContact O-N 3.03Å; K45-P47 VanDerWaalsContact C-N 3.27Å; K45-P47 VanDerWaalsContact O-N 3.08Å; K45-R48 HydrophobicContact CB-CG 4.31Å; K45-R48 WeakPolarHBondContact O-CA 3.47Å; K45-R48 WeakPolarHBondContact O-CB 3.35Å; K45-R48 PolarHBondContact O-N 3.33Å; K45-L49 PolarHBondContact O-N 3.1Å; K45-L49 VanDerWaalsContact O-N 3.15Å
46P85.4Confident87.2Confident49 Ų4986.3 Ų86.332%0.31839%0.394SS..Hα-helixtrans-48.4-40.2-177.2-3.9-3.9000114.7Y15 F18 R48 L49 K50Y15-P46 HydrophobicContact CE1-CB 4.37Å; Y15-P46 HydrophobicContact CE1-CG 3.97Å; F18-P46 HydrophobicContact CE2-CB 3.96Å; F18-P46 HydrophobicContact CZ-CB 4.25Å; P46-R48 VanDerWaalsContact C-N 3.32Å; P46-R48 PolarHBondContact O-N 3.39Å; P46-L49 PolarHBondContact O-N 3.28Å; P46-K50 WeakPolarHBondContact O-CB 3.16Å; P46-K50 PolarHBondContact O-N 3.46Å
47P88.3Confident87.4Confident87 Ų8781.6 Ų81.657%0.56537%0.372SS*.Hα-helixtrans-61.9-34.8175.4-24.934.6000114.4K45 R51K45-P47 VanDerWaalsContact C-N 3.27Å; K45-P47 VanDerWaalsContact O-N 3.08Å; P47-R51 VanDerWaalsContact O-CB 3.31Å; P47-R51 WeakPolarHBondContact O-CB 3.31Å; P47-R51 PolarHBondContact O-N 3.3Å
48R88.9Confident87.4Confident111 Ų11179.5 Ų79.542%0.41938%0.376SS..Hα-helixtrans-72.4-41.3177.8-68.7-174.5174.6-168.7-0.3111S43 K45 P46 R51 H52S43-R48 PolarHBondContact OG-NH1 3.41Å; K45-R48 HydrophobicContact CB-CG 4.31Å; K45-R48 WeakPolarHBondContact O-CA 3.47Å; K45-R48 WeakPolarHBondContact O-CB 3.35Å; K45-R48 PolarHBondContact O-N 3.33Å; P46-R48 VanDerWaalsContact C-N 3.32Å; P46-R48 PolarHBondContact O-N 3.39Å; R48-R51 PolarHBondContact O-N 3.07Å; R48-H52 PolarHBondContact O-N 3.4Å
49L88.5Confident87.3Confident1 Ų180.2 Ų80.21%0.00538%0.384CS..Hα-helixtrans-63.6-47.2176.4-58.7-177.4000111Y15 F18 F20 K45 P46 R51 H52 L53Y15-L49 HydrophobicContact CD1-CD1 3.71Å; Y15-L49 HydrophobicContact CE1-CD1 4.36Å; Y15-L49 HydrophobicContact CG-CD1 3.82Å; F18-L49 HydrophobicContact CB-CB 3.99Å; F18-L49 HydrophobicContact CD2-CB 4.33Å; F18-L49 HydrophobicContact CD2-CD1 4.43Å; F18-L49 HydrophobicContact CG-CB 4.23Å; F20-L49 HydrophobicContact CD1-CD2 3.85Å; F20-L49 HydrophobicContact CD2-CB 3.84Å; F20-L49 HydrophobicContact CD2-CD1 4.15Å; F20-L49 HydrophobicContact CD2-CD2 3.82Å; F20-L49 HydrophobicContact CD2-CG 4.13Å; F20-L49 HydrophobicContact CE1-CD2 3.7Å; F20-L49 HydrophobicContact CE2-CB 3.56Å; F20-L49 HydrophobicContact CE2-CD2 3.7Å; F20-L49 HydrophobicContact CE2-CG 4.12Å; F20-L49 HydrophobicContact CG-CD1 4.36Å; F20-L49 HydrophobicContact CG-CD2 3.87Å; F20-L49 HydrophobicContact CZ-CB 4.21Å; F20-L49 HydrophobicContact CZ-CD2 3.6Å; F20-L49 HydrophobicContact CZ-CG 4.47Å; K45-L49 PolarHBondContact O-N 3.1Å; K45-L49 VanDerWaalsContact O-N 3.15Å; P46-L49 PolarHBondContact O-N 3.28Å; L49-R51 PolarHBondContact O-N 3.45Å; L49-H52 WeakPolarHBondContact O-CB 3.34Å; L49-H52 PolarHBondContact O-N 2.98Å; L49-L53 PolarHBondContact O-N 2.88Å
50K89.1Confident87.2Confident119 Ų11981 Ų8152%0.51739%0.389SS..Hα-helixtrans-60.3-43.4175.6-171.1174.8-177.7177.30112.1F18 P46 H52 L53 I54F18-K50 HydrophobicContact CD1-CB 4.02Å; F18-K50 HydrophobicContact CD1-CG 4.42Å; F18-K50 HydrophobicContact CE1-CB 4.03Å; F18-K50 HydrophobicContact CE1-CD 4.35Å; F18-K50 HydrophobicContact CE1-CG 4.31Å; P46-K50 WeakPolarHBondContact O-CB 3.16Å; P46-K50 PolarHBondContact O-N 3.46Å; K50-H52 VanDerWaalsContact C-N 3.34Å; K50-H52 PolarHBondContact O-N 2.91Å; K50-L53 PolarHBondContact O-N 3.23Å; K50-I54 HydrophobicContact CG-CD1 3.91Å; K50-I54 WeakPolarHBondContact O-CG1 3.31Å; K50-I54 PolarHBondContact O-N 3.44Å
51R92.2Very high87Confident162 Ų16280.7 Ų80.761%0.61139%0.387SS*.Hα-helixtrans-62.1-41.4175.7-173.8-173.5-61.6146.4-1111.9P47 R48 L49 R55P47-R51 VanDerWaalsContact O-CB 3.31Å; P47-R51 WeakPolarHBondContact O-CB 3.31Å; P47-R51 PolarHBondContact O-N 3.3Å; R48-R51 PolarHBondContact O-N 3.07Å; L49-R51 PolarHBondContact O-N 3.45Å; R51-R55 WeakPolarHBondContact O-CB 3.34Å; R51-R55 PolarHBondContact O-N 2.86Å
52H92.3Very high87Confident23 Ų2383.4 Ų83.411%0.10641%0.406CS..Hα-helixtrans-60.9-49.1175.1174.481.9000111F20 C35 F39 R48 L49 K50 I54 R55 R56F20-H52 HydrophobicContact CZ-CB 4.05Å; F20-H52 AromaticContact CZ-CD2 3.36Å; F20-H52 WeakPolarHBondContact CZ-CD2 3.09Å; F20-H52 AromaticContact CZ-CG 3.88Å; C35-H52 PolarHBondContact SG-NE2 3.22Å; F39-H52 HydrophobicContact CZ-CB 4.35Å; F39-H52 AromaticContact CZ-CE1 3.7Å; F39-H52 AromaticContact CZ-CG 3.77Å; F39-H52 AromaticContact CZ-ND1 3.47Å; F39-H52 WeakPolarHBondContact CZ-ND1 3.44Å; R48-H52 PolarHBondContact O-N 3.4Å; L49-H52 WeakPolarHBondContact O-CB 3.34Å; L49-H52 PolarHBondContact O-N 2.98Å; K50-H52 VanDerWaalsContact C-N 3.34Å; K50-H52 PolarHBondContact O-N 2.91Å; H52-I54 PolarHBondContact O-N 2.86Å; H52-R55 PolarHBondContact O-N 3.49Å; H52-R56 VanDerWaalsContact O-CB 3.32Å; H52-R56 WeakPolarHBondContact O-CB 3.43Å; H52-R56 PolarHBondContact O-N 2.84Å
53L91.2Very high87.4Confident7 Ų779.2 Ų79.24%0.03739%0.385CS..Hα-helixtrans-57.5-49.4179.7-175.266.5000111.6L34 L49 K50 R55 H57 Y68L34-L53 HydrophobicContact CD1-CD1 3.8Å; L49-L53 PolarHBondContact O-N 2.88Å; K50-L53 PolarHBondContact O-N 3.23Å; L53-R55 PolarHBondContact O-N 3.22Å; L53-H57 HydrophobicContact CD1-CB 4.13Å; L53-H57 CarbonylContact O-C 3.57Å; L53-H57 VanDerWaalsContact O-CA 3.22Å; L53-H57 WeakPolarHBondContact O-CA 3.37Å; L53-H57 WeakPolarHBondContact O-CB 3.35Å; L53-H57 PolarHBondContact O-N 3.46Å; L53-H57 VanDerWaalsContact O-O 3.07Å; L53-Y68 WeakPolarHBondContact CD1-OH 3.38Å
54I91Very high88Confident93 Ų9384 Ų8448%0.47741%0.409SS..Hα-helixtrans-65.1-42.2180-65166.3000111.7K50 H52K50-I54 HydrophobicContact CG-CD1 3.91Å; K50-I54 WeakPolarHBondContact O-CG1 3.31Å; K50-I54 PolarHBondContact O-N 3.44Å; H52-I54 PolarHBondContact O-N 2.86Å
55R93.3Very high88.4Confident212 Ų21285.9 Ų85.980%0.842%0.421SS*.Hα-helixtrans-77.1-35.9-174.5-172.7177.5-178.8-173.32113.3R51 H52 L53R51-R55 WeakPolarHBondContact O-CB 3.34Å; R51-R55 PolarHBondContact O-N 2.86Å; H52-R55 PolarHBondContact O-N 3.49Å; L53-R55 PolarHBondContact O-N 3.22Å
56R92.3Very high88.7Confident132 Ų13284.8 Ų84.850%0.49843%0.425SS..Hα-helixtrans-97.3-30.4-176.9-71.3-58.7-145.1-173.32.6113.2H52H52-R56 VanDerWaalsContact O-CB 3.32Å; H52-R56 WeakPolarHBondContact O-CB 3.43Å; H52-R56 PolarHBondContact O-N 2.84Å
57H91.9Very high89Confident31 Ų3186.1 Ų86.114%0.14443%0.425CS..  trans-136.760.1-173-54.3-64.7000110.9L34 C35 L53 S59 M60 S61L34-H57 HydrophobicContact CD1-CB 3.64Å; C35-H57 WeakPolarHBondContact CB-NE2 3.36Å; L53-H57 HydrophobicContact CD1-CB 4.13Å; L53-H57 CarbonylContact O-C 3.57Å; L53-H57 VanDerWaalsContact O-CA 3.22Å; L53-H57 WeakPolarHBondContact O-CA 3.37Å; L53-H57 WeakPolarHBondContact O-CB 3.35Å; L53-H57 PolarHBondContact O-N 3.46Å; L53-H57 VanDerWaalsContact O-O 3.07Å; H57-S59 PolarHBondContact O-N 3.44Å; H57-M60 HydrophobicContact CB-CB 4.17Å; H57-M60 HydrophobicContact CB-CG 4.46Å; H57-M60 PolarHBondContact O-N 3.45Å; H57-M60 VanDerWaalsContact O-N 3.07Å; H57-S61 PolarHBondContact O-N 3.3Å
58P88.7Confident89.1Confident85 Ų8582 Ų8255%0.55240%0.398SS*.G310 helixtrans-56.6-39.5-178.923.4-33.2000111.7M60 S61P58-M60 VanDerWaalsContact C-N 3.28Å; P58-M60 PolarHBondContact O-N 3.07Å; P58-S61 PolarHBondContact O-N 3.49Å; P58-S61 PolarHBondContact O-OG 3.2Å
59S86.4Confident89.1Confident95 Ų9581.8 Ų81.866%0.66440%0.402SS*.G310 helixtrans-63.7-26.5178.956.90000114.6H57H57-S59 PolarHBondContact O-N 3.44Å
60M84.2Confident89.1Confident54 Ų5484.5 Ų84.527%0.26642%0.424SS..G310 helixtrans-101.7-3.8-175.9-55.5-61.9175.200112.7L34 H57 P58 N62 K63 Y68L34-M60 HydrophobicContact CD1-CB 3.68Å; L34-M60 HydrophobicContact CD1-CG 4.05Å; L34-M60 HydrophobicContact CD2-CG 4.29Å; H57-M60 HydrophobicContact CB-CB 4.17Å; H57-M60 HydrophobicContact CB-CG 4.46Å; H57-M60 PolarHBondContact O-N 3.45Å; H57-M60 VanDerWaalsContact O-N 3.07Å; P58-M60 VanDerWaalsContact C-N 3.28Å; P58-M60 PolarHBondContact O-N 3.07Å; M60-N62 PolarHBondContact O-N 3.08Å; M60-K63 HydrophobicContact CB-CD 4.4Å; M60-K63 PolarHBondContact O-N 2.98Å; M60-K63 HydrophobicContact SD-CD 3.71Å; M60-K63 WeakPolarHBondContact SD-CE 3.45Å; M60-K63 PolarHBondContact SD-NZ 2.94Å; M60-Y68 PolarHBondContact O-OH 3.03Å
61S81.4Confident89.1Confident54 Ų5480.4 Ų80.438%0.37841%0.407SS..THydrogen-bonded Turntrans-66.6-21.5-174.566.50000114.4H57 P58H57-S61 PolarHBondContact O-N 3.3Å; P58-S61 PolarHBondContact O-N 3.49Å; P58-S61 PolarHBondContact O-OG 3.2Å
62N82.5Confident88.9Confident151 Ų15175.3 Ų75.381%0.80739%0.39SS*.THydrogen-bonded Turntrans-96.511.5-179.8-161.623.7000114M60M60-N62 PolarHBondContact O-N 3.08Å
63K87.4Confident88.6Confident71 Ų7181 Ų8131%0.30942%0.417SS..  trans-82.6145.2-179.2-66.7-169.7168.8-172.40111.8M60 Y67 Y68M60-K63 HydrophobicContact CB-CD 4.4Å; M60-K63 PolarHBondContact O-N 2.98Å; M60-K63 HydrophobicContact SD-CD 3.71Å; M60-K63 WeakPolarHBondContact SD-CE 3.45Å; M60-K63 PolarHBondContact SD-NZ 2.94Å; K63-Y67 HydrophobicContact CB-CD1 3.96Å; K63-Y67 HydrophobicContact CB-CG 4.14Å; K63-Y67 HydrophobicContact CD-CD1 3.4Å; K63-Y67 VanDerWaalsContact CD-CD1 3.4Å; K63-Y67 HydrophobicContact CD-CD2 3.82Å; K63-Y67 HydrophobicContact CD-CE1 3.42Å; K63-Y67 VanDerWaalsContact CD-CE1 3.42Å; K63-Y67 HydrophobicContact CD-CE2 3.83Å; K63-Y67 HydrophobicContact CD-CG 3.61Å; K63-Y67 HydrophobicContact CG-CD1 4.31Å; K63-Y67 HydrophobicContact CG-CG 4.43Å; K63-Y67 PolarHBondContact NZ-OH 2.81Å; K63-Y67 VanDerWaalsContact NZ-OH 3.13Å; K63-Y68 HydrophobicContact CB-CE2 4.12Å
64N88.2Confident88.3Confident123 Ų12388.8 Ų88.866%0.65845%0.45SS*.  trans-72.2163.1178-68.5-48.2000112.2S66 Y67N64-S66 PolarHBondContact O-N 3.39Å; N64-Y67 WeakPolarHBondContact O-CB 3.45Å; N64-Y67 PolarHBondContact O-N 3.09Å; N64-Y67 VanDerWaalsContact O-N 3.14Å
65V88.9Confident87.7Confident46 Ų4687.2 Ų87.228%0.27944%0.439SS..Hα-helixtrans-56.4-36177.9-166.40000112L16 R17 Y67 Y68 Q69L16-V65 HydrophobicContact CD2-CG1 4.47Å; R17-V65 HydrophobicContact CB-CG2 4.31Å; R17-V65 HydrophobicContact CG-CB 4.47Å; R17-V65 HydrophobicContact CG-CG1 4.16Å; R17-V65 HydrophobicContact CG-CG2 3.56Å; V65-Y67 VanDerWaalsContact C-N 3.32Å; V65-Y67 PolarHBondContact O-N 3.37Å; V65-Y68 PolarHBondContact O-N 3.18Å; V65-Y68 VanDerWaalsContact O-N 3.14Å; V65-Q69 WeakPolarHBondContact O-CG 3.48Å; V65-Q69 PolarHBondContact O-N 3.45Å
66S90.4Very high86.6Confident74 Ų7480.3 Ų80.352%0.51742%0.416SS..Hα-helixtrans-59-38.7178.553.60000113.1N64 Y68 Q69 A70N64-S66 PolarHBondContact O-N 3.39Å; S66-Y68 VanDerWaalsContact C-N 3.33Å; S66-Y68 PolarHBondContact O-N 3.1Å; S66-Q69 PolarHBondContact O-N 3.41Å; S66-A70 PolarHBondContact O-N 3.48Å
67Y90.7Very high85.2Confident78 Ų7880 Ų8031%0.30642%0.424SS..Hα-helixtrans-61.2-43.8175.8172.5-95000111.5L34 K63 N64 V65 A70 L71L34-Y67 HydrophobicContact CD2-CE1 4.36Å; K63-Y67 HydrophobicContact CB-CD1 3.96Å; K63-Y67 HydrophobicContact CB-CG 4.14Å; K63-Y67 HydrophobicContact CD-CD1 3.4Å; K63-Y67 VanDerWaalsContact CD-CD1 3.4Å; K63-Y67 HydrophobicContact CD-CD2 3.82Å; K63-Y67 HydrophobicContact CD-CE1 3.42Å; K63-Y67 VanDerWaalsContact CD-CE1 3.42Å; K63-Y67 HydrophobicContact CD-CE2 3.83Å; K63-Y67 HydrophobicContact CD-CG 3.61Å; K63-Y67 HydrophobicContact CG-CD1 4.31Å; K63-Y67 HydrophobicContact CG-CG 4.43Å; K63-Y67 PolarHBondContact NZ-OH 2.81Å; K63-Y67 VanDerWaalsContact NZ-OH 3.13Å; N64-Y67 WeakPolarHBondContact O-CB 3.45Å; N64-Y67 PolarHBondContact O-N 3.09Å; N64-Y67 VanDerWaalsContact O-N 3.14Å; V65-Y67 VanDerWaalsContact C-N 3.32Å; V65-Y67 PolarHBondContact O-N 3.37Å; Y67-A70 PolarHBondContact O-N 3.13Å; Y67-L71 HydrophobicContact CE1-CD2 4.18Å; Y67-L71 WeakPolarHBondContact O-CB 3.32Å; Y67-L71 PolarHBondContact O-N 3.48Å
68Y90.6Very high83.5Confident0 Ų084 Ų840%045%0.452CS..Hα-helixtrans-72.8-29.1179.5-66.2-66.7000112.6L16 L34 L53 M60 K63 V65 S66 K72L16-Y68 WeakPolarHBondContact O-CB 3.44Å; L34-Y68 HydrophobicContact CD1-CE1 4.18Å; L34-Y68 HydrophobicContact CD2-CE1 4.3Å; L34-Y68 HydrophobicContact CG-CE1 4.29Å; L53-Y68 WeakPolarHBondContact CD1-OH 3.38Å; M60-Y68 PolarHBondContact O-OH 3.03Å; K63-Y68 HydrophobicContact CB-CE2 4.12Å; V65-Y68 PolarHBondContact O-N 3.18Å; V65-Y68 VanDerWaalsContact O-N 3.14Å; S66-Y68 VanDerWaalsContact C-N 3.33Å; S66-Y68 PolarHBondContact O-N 3.1Å; Y68-K72 VanDerWaalsContact O-CB 3.32Å; Y68-K72 WeakPolarHBondContact O-CB 3.42Å; Y68-K72 PolarHBondContact O-N 3.32Å
69Q89.5Confident81.7Confident107 Ų10784.9 Ų84.950%0.545%0.449SS..Hα-helixtrans-63.4-51.2170.8-74.5172.1-2500111.2L16 V65 S66 L71 K72 E73L16-Q69 HydrophobicContact CD2-CB 4.4Å; L16-Q69 HydrophobicContact CD2-CG 3.38Å; L16-Q69 HydrophobicContact CG-CG 4.49Å; V65-Q69 WeakPolarHBondContact O-CG 3.48Å; V65-Q69 PolarHBondContact O-N 3.45Å; S66-Q69 PolarHBondContact O-N 3.41Å; Q69-L71 VanDerWaalsContact C-N 3.28Å; Q69-L71 PolarHBondContact O-N 3.43Å; Q69-K72 WeakPolarHBondContact O-CB 3.5Å; Q69-K72 PolarHBondContact O-N 3.03Å; Q69-K72 VanDerWaalsContact O-N 3.1Å; Q69-E73 PolarHBondContact O-N 2.98Å
70A89.6Confident79.9Confident57 Ų5783.5 Ų83.547%0.47144%0.443SS..Hα-helixtrans-60.9-38.5176.500000111.9S66 Y67 K72 E73 K74S66-A70 PolarHBondContact O-N 3.48Å; Y67-A70 PolarHBondContact O-N 3.13Å; A70-K72 VanDerWaalsContact C-N 3.35Å; A70-E73 PolarHBondContact O-N 2.86Å; A70-K74 WeakPolarHBondContact O-CB 3.2Å; A70-K74 PolarHBondContact O-N 3.29Å
71L88.1Confident78.4Confident33 Ų3385.4 Ų85.417%0.17345%0.454CS..Hα-helixtrans-67.3-36175.9-169.765.3000112.3L33 L34 Y67 Q69 K75L33-L71 HydrophobicContact CB-CD2 3.71Å; L33-L71 HydrophobicContact CB-CG 4.25Å; L34-L71 HydrophobicContact CD2-CD2 3.79Å; Y67-L71 HydrophobicContact CE1-CD2 4.18Å; Y67-L71 WeakPolarHBondContact O-CB 3.32Å; Y67-L71 PolarHBondContact O-N 3.48Å; Q69-L71 VanDerWaalsContact C-N 3.28Å; Q69-L71 PolarHBondContact O-N 3.43Å; L71-K75 WeakPolarHBondContact O-CG 3.24Å; L71-K75 PolarHBondContact O-N 3.45Å
72K87.7Confident77.4Confident56 Ų5687.4 Ų87.424%0.24347%0.466CS..Hα-helixtrans-64.4-49.8174.2-174.1-175.5-179.7-90.50110L16 A21 L33 Y68 Q69 A70 K74 K75 E76L16-K72 HydrophobicContact CD1-CB 4.49Å; L16-K72 HydrophobicContact CD1-CD 4.32Å; A21-K72 HydrophobicContact CB-CD 4.01Å; A21-K72 HydrophobicContact CB-CG 4.08Å; L33-K72 HydrophobicContact CD1-CB 4.13Å; Y68-K72 VanDerWaalsContact O-CB 3.32Å; Y68-K72 WeakPolarHBondContact O-CB 3.42Å; Y68-K72 PolarHBondContact O-N 3.32Å; Q69-K72 WeakPolarHBondContact O-CB 3.5Å; Q69-K72 PolarHBondContact O-N 3.03Å; Q69-K72 VanDerWaalsContact O-N 3.1Å; A70-K72 VanDerWaalsContact C-N 3.35Å; K72-K74 PolarHBondContact O-N 3.06Å; K72-K75 CarbonylContact O-C 3.03Å; K72-K75 WeakPolarHBondContact O-CA 3.42Å; K72-K75 PolarHBondContact O-N 3.48Å; K72-E76 WeakPolarHBondContact CE-OE1 3.19Å; K72-E76 HydrophobicContact CG-CG 4.28Å; K72-E76 IonicContact NZ-OE1 2.7Å; K72-E76 PolarHBondContact NZ-OE1 3.09Å; K72-E76 IonicContact NZ-OE2 2.67Å; K72-E76 PolarHBondContact NZ-OE2 3.34Å; K72-E76 WeakPolarHBondContact O-CB 3.29Å; K72-E76 WeakPolarHBondContact O-CG 3.35Å; K72-E76 PolarHBondContact O-N 3.25Å
73E86Confident76.4Confident143 Ų14381.9 Ų81.967%0.66845%0.445SS*.Hα-helixtrans-59.9-43.6179-174.3173.8-170.400112Q69 A70 K75 E76Q69-E73 PolarHBondContact O-N 2.98Å; A70-E73 PolarHBondContact O-N 2.86Å; E73-K75 PolarHBondContact O-N 3.5Å; E73-E76 CarbonylContact O-C 3.59Å; E73-E76 PolarHBondContact O-N 3.38Å; E73-E76 VanDerWaalsContact O-N 3.17Å
74K84.6Confident75.2Confident169 Ų16981.7 Ų81.774%0.73545%0.449SS*.Hα-helixtrans-60.4-27.7174.3-173.2172.8-179.51750113.3A70 K72 I77A70-K74 WeakPolarHBondContact O-CB 3.2Å; A70-K74 PolarHBondContact O-N 3.29Å; K72-K74 PolarHBondContact O-N 3.06Å; K74-I77 WeakPolarHBondContact O-CG1 3.23Å
75K79.6Confident73.8Confident60 Ų6081 Ų8126%0.26144%0.437SS..Hα-helixtrans-89.8-29.4176.7-70.6-163.3-176-150.60112.9M23 L33 E36 L71 K72 E73 I77M23-K75 HydrophobicContact CE-CB 3.83Å; M23-K75 HydrophobicContact SD-CB 4.38Å; L33-K75 HydrophobicContact CD2-CD 4.14Å; L33-K75 WeakPolarHBondContact O-CE 3.24Å; L33-K75 PolarHBondContact O-NZ 2.9Å; E36-K75 VanDerWaalsContact CG-NZ 3.29Å; E36-K75 IonicContact OE1-NZ 2.71Å; E36-K75 PolarHBondContact OE1-NZ 3.14Å; L71-K75 WeakPolarHBondContact O-CG 3.24Å; L71-K75 PolarHBondContact O-N 3.45Å; K72-K75 CarbonylContact O-C 3.03Å; K72-K75 WeakPolarHBondContact O-CA 3.42Å; K72-K75 PolarHBondContact O-N 3.48Å; E73-K75 PolarHBondContact O-N 3.5Å; K75-I77 PolarHBondContact O-N 2.91Å; K75-I77 VanDerWaalsContact O-N 3.11Å
76E70.9Confident72.5Confident67 Ų6786 Ų8631%0.31345%0.453SS..SBendtrans-81.853.5168.1-65.9-177.215700109.2M23 K72 E73 P78M23-E76 HydrophobicContact CE-CG 4.28Å; K72-E76 WeakPolarHBondContact CE-OE1 3.19Å; K72-E76 HydrophobicContact CG-CG 4.28Å; K72-E76 IonicContact NZ-OE1 2.7Å; K72-E76 PolarHBondContact NZ-OE1 3.09Å; K72-E76 IonicContact NZ-OE2 2.67Å; K72-E76 PolarHBondContact NZ-OE2 3.34Å; K72-E76 WeakPolarHBondContact O-CB 3.29Å; K72-E76 WeakPolarHBondContact O-CG 3.35Å; K72-E76 PolarHBondContact O-N 3.25Å; E73-E76 CarbonylContact O-C 3.59Å; E73-E76 PolarHBondContact O-N 3.38Å; E73-E76 VanDerWaalsContact O-N 3.17Å; E76-P78 VanDerWaalsContact O-N 3.11Å
77I62.7Low71.1Confident127 Ų12785.8 Ų85.865%0.65145%0.448SS*.  trans-51.9124.3162.4-59.1175.2000105.2K74 K75 E79K74-I77 WeakPolarHBondContact O-CG1 3.23Å; K75-I77 PolarHBondContact O-N 2.91Å; K75-I77 VanDerWaalsContact O-N 3.11Å; I77-E79 PolarHBondContact O-N 3.44Å
78P56.1Low69.8Low114 Ų11485.2 Ų85.274%0.7445%0.452SS*.  trans-49.1121.2-171.114.4-28.4000108.8E76 A80E76-P78 VanDerWaalsContact O-N 3.11Å; P78-A80 PolarHBondContact O-N 3.04Å
79E50.6Low68.5Low104 Ų10490.6 Ų90.649%0.48648%0.475SS..  trans-63.680.9-176.1-67.1-118.1136.300109.2P24 I77 D81 R85P24-E79 HydrophobicContact CG-CG 4.09Å; I77-E79 PolarHBondContact O-N 3.44Å; E79-D81 PolarHBondContact O-N 3.34Å; E79-R85 IonicContact OE1-NH1 3.41Å; E79-R85 PolarHBondContact OE1-NH1 3.27Å
80A48.7Very low67.3Low65 Ų6589.1 Ų89.154%0.53747%0.467SS..  trans-65.1108.7153.700000105.3P78 V84P78-A80 PolarHBondContact O-N 3.04Å; A80-V84 HydrophobicContact CB-CG1 4.39Å
81D53.3Low65.9Low94 Ų9490.8 Ų90.850%0.50347%0.468SS..THydrogen-bonded Turntrans26.9123.3169.9-178.765.4000116.7E79 G83 V84 R85E79-D81 PolarHBondContact O-N 3.34Å; D81-G83 CarbonylContact O-C 3.54Å; D81-G83 PolarHBondContact O-N 3.44Å; D81-G83 WeakPolarHBondContact OD2-CA 3.42Å; D81-G83 PolarHBondContact OD2-N 2.65Å; D81-V84 HydrophobicContact CB-CB 4.28Å; D81-V84 HydrophobicContact CB-CG2 3.89Å; D81-V84 WeakPolarHBondContact O-CA 3.47Å; D81-V84 WeakPolarHBondContact O-CB 3.43Å; D81-V84 PolarHBondContact O-N 3.49Å; D81-V84 PolarHBondContact OD2-N 2.92Å; D81-R85 PolarHBondContact O-N 3.44Å; D81-R85 VanDerWaalsContact O-N 3.11Å
82P60Low64.6Low97 Ų9795.2 Ų95.263%0.6349%0.491SS*.Hα-helixtrans-52.3-25.5177.518.8-30.6000113.8Y86P82-Y86 PolarHBondContact O-N 2.82Å
83G60.1Low63.3Low35 Ų3599.1 Ų99.136%0.36151%0.513SS..Hα-helixtrans-66-47.6169.300000113.2D81 R85 Y86 V87D81-G83 CarbonylContact O-C 3.54Å; D81-G83 PolarHBondContact O-N 3.44Å; D81-G83 WeakPolarHBondContact OD2-CA 3.42Å; D81-G83 PolarHBondContact OD2-N 2.65Å; G83-R85 PolarHBondContact O-N 2.76Å; G83-Y86 PolarHBondContact O-N 3.42Å; G83-V87 VanDerWaalsContact O-CG2 3.28Å; G83-V87 WeakPolarHBondContact O-CG2 3.28Å; G83-V87 PolarHBondContact O-N 3.39Å
84V62.1Low61.9Low66 Ų6693.7 Ų93.740%0.449%0.491SS..Hα-helixtrans-61.3-42.2176.6177.90000111.4A80 D81 Y86 V87 V88A80-V84 HydrophobicContact CB-CG1 4.39Å; D81-V84 HydrophobicContact CB-CB 4.28Å; D81-V84 HydrophobicContact CB-CG2 3.89Å; D81-V84 WeakPolarHBondContact O-CA 3.47Å; D81-V84 WeakPolarHBondContact O-CB 3.43Å; D81-V84 PolarHBondContact O-N 3.49Å; D81-V84 PolarHBondContact OD2-N 2.92Å; V84-Y86 VanDerWaalsContact C-N 3.32Å; V84-Y86 PolarHBondContact O-N 3.32Å; V84-V87 PolarHBondContact O-N 2.8Å; V84-V88 HydrophobicContact CG1-CG2 3.85Å; V84-V88 VanDerWaalsContact O-CB 3.29Å; V84-V88 WeakPolarHBondContact O-CB 3.48Å; V84-V88 VanDerWaalsContact O-CG2 3.24Å; V84-V88 WeakPolarHBondContact O-CG2 3.16Å; V84-V88 PolarHBondContact O-N 3.42Å
85R60.2Low60.6Low109 Ų10988.6 Ų88.641%0.41147%0.471SS..Hα-helixtrans-61.5-39.4176.3-174.5179.1177.9-171.7-4.4112.7E79 D81 G83 K89E79-R85 IonicContact OE1-NH1 3.41Å; E79-R85 PolarHBondContact OE1-NH1 3.27Å; D81-R85 PolarHBondContact O-N 3.44Å; D81-R85 VanDerWaalsContact O-N 3.11Å; G83-R85 PolarHBondContact O-N 2.76Å; R85-K89 HydrophobicContact CG-CD 4.43Å; R85-K89 WeakPolarHBondContact O-CB 3.15Å; R85-K89 WeakPolarHBondContact O-CG 3.5Å; R85-K89 PolarHBondContact O-N 2.91Å
86Y60.8Low60Low152 Ų15291.2 Ų91.260%0.59649%0.494SS*.Hα-helixtrans-65-44.8175.3176.8-97.1000110.9P82 G83 V84 K90P82-Y86 PolarHBondContact O-N 2.82Å; G83-Y86 PolarHBondContact O-N 3.42Å; V84-Y86 VanDerWaalsContact C-N 3.32Å; V84-Y86 PolarHBondContact O-N 3.32Å; Y86-K90 HydrophobicContact CE1-CD 3.86Å; Y86-K90 WeakPolarHBondContact O-CB 3.43Å; Y86-K90 PolarHBondContact O-N 2.75Å; Y86-K90 PolarHBondContact OH-NZ 3.26Å
87V61.2Low59.9Low69 Ų6990.2 Ų90.242%0.41850%0.495SS..Hα-helixtrans-62.7-48177.5172.40000110.9G83 V84 K90 L91G83-V87 VanDerWaalsContact O-CG2 3.28Å; G83-V87 WeakPolarHBondContact O-CG2 3.28Å; G83-V87 PolarHBondContact O-N 3.39Å; V84-V87 PolarHBondContact O-N 2.8Å; V87-K90 CarbonylContact O-C 3.2Å; V87-K90 PolarHBondContact O-N 3.31Å; V87-L91 HydrophobicContact CG1-CD1 3.47Å; V87-L91 VanDerWaalsContact CG1-CD1 3.47Å; V87-L91 HydrophobicContact CG1-CG 4.27Å; V87-L91 WeakPolarHBondContact O-CB 3.34Å; V87-L91 WeakPolarHBondContact O-CG 3.12Å; V87-L91 PolarHBondContact O-N 3.1Å
88V64.2Low60.5Low66 Ų6688.4 Ų88.440%0.449%0.494SS..Hα-helixtrans-66.3-44.5-179.3170.10000111.3V84 K90 L91 L92V84-V88 HydrophobicContact CG1-CG2 3.85Å; V84-V88 VanDerWaalsContact O-CB 3.29Å; V84-V88 WeakPolarHBondContact O-CB 3.48Å; V84-V88 VanDerWaalsContact O-CG2 3.24Å; V84-V88 WeakPolarHBondContact O-CG2 3.16Å; V84-V88 PolarHBondContact O-N 3.42Å; V88-K90 VanDerWaalsContact C-N 3.31Å; V88-K90 PolarHBondContact O-N 3.18Å; V88-L91 PolarHBondContact O-N 3.25Å; V88-L92 HydrophobicContact CG1-CD1 3.3Å; V88-L92 HydrophobicContact CG1-CG 4.24Å; V88-L92 VanDerWaalsContact O-CB 3.24Å; V88-L92 WeakPolarHBondContact O-CB 3.29Å; V88-L92 WeakPolarHBondContact O-CG 3.37Å; V88-L92 PolarHBondContact O-N 3.46Å
89K62.9Low61.3Low112 Ų11285.8 Ų85.849%0.48748%0.478SS..Hα-helixtrans-60.9-41.1172.4-80.2-179.1175.2178.70111.9R85 L91 I93R85-K89 HydrophobicContact CG-CD 4.43Å; R85-K89 WeakPolarHBondContact O-CB 3.15Å; R85-K89 WeakPolarHBondContact O-CG 3.5Å; R85-K89 PolarHBondContact O-N 2.91Å; K89-L91 VanDerWaalsContact C-N 3.32Å; K89-I93 VanDerWaalsContact O-CD1 3.29Å; K89-I93 WeakPolarHBondContact O-CD1 3.46Å; K89-I93 WeakPolarHBondContact O-CG1 3.48Å; K89-I93 PolarHBondContact O-N 2.76Å; K89-I93 VanDerWaalsContact O-N 3.16Å
90K63.7Low62.3Low76 Ų7683.2 Ų83.233%0.3347%0.467SS..Hα-helixtrans-68.1-32.6178.8-167.2172.6-175.2174.70112.2Y86 V87 V88 C94 R128Y86-K90 HydrophobicContact CE1-CD 3.86Å; Y86-K90 WeakPolarHBondContact O-CB 3.43Å; Y86-K90 PolarHBondContact O-N 2.75Å; Y86-K90 PolarHBondContact OH-NZ 3.26Å; V87-K90 CarbonylContact O-C 3.2Å; V87-K90 PolarHBondContact O-N 3.31Å; V88-K90 VanDerWaalsContact C-N 3.31Å; V88-K90 PolarHBondContact O-N 3.18Å; K90-C94 PolarHBondContact O-SG 3.37Å; K90-R128 VanDerWaalsContact CE-NH1 3.32Å
91L61.2Low63.4Low93 Ų9382.8 Ų82.849%0.48746%0.458SS..Hα-helixtrans-83-38.5177.8-71168.9000112.8V87 V88 K89 I93 C94V87-L91 HydrophobicContact CG1-CD1 3.47Å; V87-L91 VanDerWaalsContact CG1-CD1 3.47Å; V87-L91 HydrophobicContact CG1-CG 4.27Å; V87-L91 WeakPolarHBondContact O-CB 3.34Å; V87-L91 WeakPolarHBondContact O-CG 3.12Å; V87-L91 PolarHBondContact O-N 3.1Å; V88-L91 PolarHBondContact O-N 3.25Å; K89-L91 VanDerWaalsContact C-N 3.32Å; L91-I93 VanDerWaalsContact C-N 3.34Å; L91-I93 PolarHBondContact O-N 3.29Å; L91-C94 WeakPolarHBondContact O-CB 3.37Å; L91-C94 PolarHBondContact O-N 2.86Å
92L60.3Low64.5Low126 Ų12684.7 Ų84.766%0.6646%0.464SS*.Hα-helixtrans-68.8-29.7177.1-84.6157.3000112.7V88 C94V88-L92 HydrophobicContact CG1-CD1 3.3Å; V88-L92 HydrophobicContact CG1-CG 4.24Å; V88-L92 VanDerWaalsContact O-CB 3.24Å; V88-L92 WeakPolarHBondContact O-CB 3.29Å; V88-L92 WeakPolarHBondContact O-CG 3.37Å; V88-L92 PolarHBondContact O-N 3.46Å; L92-C94 PolarHBondContact O-N 3.26Å
93I60.2Low65.2Low137 Ų13783.3 Ų83.370%0.70346%0.455SS*.THydrogen-bonded Turntrans-66-23.2170.8-68.6165.2000111.1K89 L91K89-I93 VanDerWaalsContact O-CD1 3.29Å; K89-I93 WeakPolarHBondContact O-CD1 3.46Å; K89-I93 WeakPolarHBondContact O-CG1 3.48Å; K89-I93 PolarHBondContact O-N 2.76Å; K89-I93 VanDerWaalsContact O-N 3.16Å; L91-I93 VanDerWaalsContact C-N 3.34Å; L91-I93 PolarHBondContact O-N 3.29Å
94C56.9Low65.9Low29 Ų2982.1 Ų82.120%0.19644%0.443CS..THydrogen-bonded Turntrans-91.7-10.5-175.4-72.30000114.8K90 L91 L92 P96 L100K90-C94 PolarHBondContact O-SG 3.37Å; L91-C94 WeakPolarHBondContact O-CB 3.37Å; L91-C94 PolarHBondContact O-N 2.86Å; L92-C94 PolarHBondContact O-N 3.26Å; C94-P96 VanDerWaalsContact C-CD 3.45Å; C94-L100 WeakPolarHBondContact O-CD1 3.49Å
95L57.3Low66.5Low63 Ų6385.7 Ų85.733%0.3345%0.453SS..  trans-131.857-173.4-55.8175.7000113.4S97 L100 V101 A104L95-S97 PolarHBondContact O-N 2.77Å; L95-L100 VanDerWaalsContact CD2-C 3.46Å; L95-L100 HydrophobicContact CD2-CB 3.51Å; L95-L100 WeakPolarHBondContact CD2-O 3.13Å; L95-V101 HydrophobicContact CB-CG2 4.17Å; L95-V101 HydrophobicContact CD1-CG2 4.23Å; L95-A104 HydrophobicContact CD2-CB 4.32Å
96P66.4Low67.4Low114 Ų11483.6 Ų83.674%0.7446%0.455SS*.SBendtrans-65.7-20.8175.123.8-33.4000114.1C94 L100C94-P96 VanDerWaalsContact C-CD 3.45Å; P96-L100 HydrophobicContact CG-CD1 4.11Å
97S69.5Low68Low46 Ų4677.8 Ų77.832%0.32243%0.434SS..SBendtrans-125.4149.5-176.262.10000112.6L95 S99 L100 V101L95-S97 PolarHBondContact O-N 2.77Å; S97-S99 PolarHBondContact O-N 3.02Å; S97-S99 PolarHBondContact OG-OG 2.82Å; S97-L100 PolarHBondContact O-N 3.2Å; S97-V101 PolarHBondContact O-N 3.06Å
98S75.2Confident68.5Low90 Ų9076.7 Ų76.763%0.62943%0.427SS*.Hα-helixtrans-52.8-34.6173.550.50000112.6L100 V101 E102S98-L100 VanDerWaalsContact C-N 3.29Å; S98-L100 PolarHBondContact O-N 3.4Å; S98-V101 WeakPolarHBondContact O-CB 3.39Å; S98-V101 PolarHBondContact O-N 2.91Å; S98-V101 VanDerWaalsContact O-N 3.1Å; S98-E102 PolarHBondContact O-N 3.49Å
99S72.6Confident68.9Low59 Ų5977 Ų7741%0.41343%0.429SS..Hα-helixtrans-59.8-36.2176.858.90000113.5S97 V101 C103S97-S99 PolarHBondContact O-N 3.02Å; S97-S99 PolarHBondContact OG-OG 2.82Å; S99-V101 VanDerWaalsContact C-N 3.34Å; S99-C103 VanDerWaalsContact O-CB 3.3Å; S99-C103 WeakPolarHBondContact O-CB 3.37Å; S99-C103 PolarHBondContact O-N 2.96Å; S99-C103 PolarHBondContact O-SG 3.23Å
100L71.5Confident69.3Low50 Ų5075 Ų7526%0.26242%0.424SS..Hα-helixtrans-75.4-30.8178.5-66.6170.3000110.9C94 L95 P96 S97 S98 A104C94-L100 WeakPolarHBondContact O-CD1 3.49Å; L95-L100 VanDerWaalsContact CD2-C 3.46Å; L95-L100 HydrophobicContact CD2-CB 3.51Å; L95-L100 WeakPolarHBondContact CD2-O 3.13Å; P96-L100 HydrophobicContact CG-CD1 4.11Å; S97-L100 PolarHBondContact O-N 3.2Å; S98-L100 VanDerWaalsContact C-N 3.29Å; S98-L100 PolarHBondContact O-N 3.4Å; L100-A104 WeakPolarHBondContact O-CB 3.32Å; L100-A104 PolarHBondContact O-N 3.06Å
101V72.5Confident69.6Low55 Ų5572.8 Ų72.833%0.33342%0.416SS..Hα-helixtrans-64.6-49.2172.1178.30000109.6L95 S97 S98 S99 A104 F105L95-V101 HydrophobicContact CB-CG2 4.17Å; L95-V101 HydrophobicContact CD1-CG2 4.23Å; S97-V101 PolarHBondContact O-N 3.06Å; S98-V101 WeakPolarHBondContact O-CB 3.39Å; S98-V101 PolarHBondContact O-N 2.91Å; S98-V101 VanDerWaalsContact O-N 3.1Å; S99-V101 VanDerWaalsContact C-N 3.34Å; V101-A104 PolarHBondContact O-N 3.48Å; V101-F105 HydrophobicContact CG1-CD2 3.65Å; V101-F105 HydrophobicContact CG1-CE2 3.48Å; V101-F105 VanDerWaalsContact CG1-CE2 3.48Å; V101-F105 WeakPolarHBondContact O-CD2 3.16Å; V101-F105 PolarHBondContact O-N 2.92Å
102E75.2Confident69.8Low134 Ų13472.9 Ų72.963%0.62642%0.42SS*.Hα-helixtrans-61-46.4176.4-70.9177.4-168.700112.3S98 A104 F105 S106S98-E102 PolarHBondContact O-N 3.49Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 3.16Å; E102-F105 PolarHBondContact O-N 3.49Å; E102-S106 PolarHBondContact O-N 2.91Å
103C75.6Confident70.1Confident68 Ų6871.4 Ų71.446%0.45942%0.416SS..Hα-helixtrans-58.9-44.1173.7-75.60000111.4S99 F105 S106 I107S99-C103 VanDerWaalsContact O-CB 3.3Å; S99-C103 WeakPolarHBondContact O-CB 3.37Å; S99-C103 PolarHBondContact O-N 2.96Å; S99-C103 PolarHBondContact O-SG 3.23Å; C103-F105 PolarHBondContact O-N 2.98Å; C103-S106 PolarHBondContact O-N 3.05Å; C103-I107 WeakPolarHBondContact O-CB 3.44Å; C103-I107 WeakPolarHBondContact O-CD1 3.2Å; C103-I107 WeakPolarHBondContact O-CG1 3.42Å; C103-I107 PolarHBondContact O-N 3.24Å
104A74.6Confident70.3Confident11 Ų1172.3 Ų72.39%0.09142%0.415CS..Hα-helixtrans-62.9-41.617700000111.5L95 L100 V101 E102 I107 V108 V131L95-A104 HydrophobicContact CD2-CB 4.32Å; L100-A104 WeakPolarHBondContact O-CB 3.32Å; L100-A104 PolarHBondContact O-N 3.06Å; V101-A104 PolarHBondContact O-N 3.48Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 3.16Å; A104-I107 PolarHBondContact O-N 3.29Å; A104-V108 WeakPolarHBondContact O-CB 3.42Å; A104-V108 WeakPolarHBondContact O-CG2 3.16Å; A104-V108 PolarHBondContact O-N 3.11Å; A104-V131 HydrophobicContact CB-CG2 4.3Å
105F75.4Confident70.2Confident140 Ų14080 Ų8061%0.61445%0.445SS*.Hα-helixtrans-64.1-45.9174.9-84.9-69.8000112.1V101 E102 C103 I107 V108 T109V101-F105 HydrophobicContact CG1-CD2 3.65Å; V101-F105 HydrophobicContact CG1-CE2 3.48Å; V101-F105 VanDerWaalsContact CG1-CE2 3.48Å; V101-F105 WeakPolarHBondContact O-CD2 3.16Å; V101-F105 PolarHBondContact O-N 2.92Å; E102-F105 PolarHBondContact O-N 3.49Å; C103-F105 PolarHBondContact O-N 2.98Å; F105-I107 VanDerWaalsContact C-N 3.29Å; F105-I107 PolarHBondContact O-N 3.19Å; F105-V108 PolarHBondContact O-N 3.3Å; F105-T109 WeakPolarHBondContact O-CG2 3.5Å; F105-T109 PolarHBondContact O-N 2.69Å; F105-T109 PolarHBondContact O-OG1 3.35Å
106S78.4Confident70Confident66 Ų6689.1 Ų89.146%0.46248%0.475SS..Hα-helixtrans-60-40.5175.7-172.50000111.7E102 C103 T109 D110E102-S106 PolarHBondContact O-N 2.91Å; C103-S106 PolarHBondContact O-N 3.05Å; S106-T109 WeakPolarHBondContact CA-OG1 3.47Å; S106-T109 PolarHBondContact O-OG1 3.44Å; S106-D110 WeakPolarHBondContact O-CB 3.22Å; S106-D110 PolarHBondContact O-N 2.93Å
107I72.5Confident69.5Low30 Ų3087.4 Ų87.415%0.15447%0.466CS..Hα-helixtrans-66-46.2175.7-70.1163.5000109.7C103 A104 F105 T109 D110 L111 L127 R130 V131C103-I107 WeakPolarHBondContact O-CB 3.44Å; C103-I107 WeakPolarHBondContact O-CD1 3.2Å; C103-I107 WeakPolarHBondContact O-CG1 3.42Å; C103-I107 PolarHBondContact O-N 3.24Å; A104-I107 PolarHBondContact O-N 3.29Å; F105-I107 VanDerWaalsContact C-N 3.29Å; F105-I107 PolarHBondContact O-N 3.19Å; I107-T109 PolarHBondContact O-N 2.89Å; I107-D110 PolarHBondContact O-N 3.27Å; I107-L111 HydrophobicContact CB-CD1 4.47Å; I107-L111 HydrophobicContact CG2-CD1 3.31Å; I107-L111 WeakPolarHBondContact O-CD1 3.17Å; I107-L111 PolarHBondContact O-N 3.46Å; I107-L127 HydrophobicContact CB-CD1 4.15Å; I107-L127 HydrophobicContact CG2-CD1 3.62Å; I107-R130 HydrophobicContact CD1-CB 4.18Å; I107-R130 HydrophobicContact CG2-CB 3.99Å; I107-V131 HydrophobicContact CD1-CG2 3.78Å
108V73.3Confident68.8Low45 Ų4594.8 Ų94.827%0.27350%0.495SS..Hα-helixtrans-60.4-43.7177.1168.20000111.1A104 F105 D110 L111 V112 L127A104-V108 WeakPolarHBondContact O-CB 3.42Å; A104-V108 WeakPolarHBondContact O-CG2 3.16Å; A104-V108 PolarHBondContact O-N 3.11Å; F105-V108 PolarHBondContact O-N 3.3Å; V108-D110 VanDerWaalsContact C-N 3.34Å; V108-D110 PolarHBondContact O-N 3Å; V108-L111 PolarHBondContact O-N 3.44Å; V108-V112 HydrophobicContact CG1-CG2 4.18Å; V108-V112 WeakPolarHBondContact O-CB 3.47Å; V108-V112 WeakPolarHBondContact O-CG2 3.3Å; V108-V112 PolarHBondContact O-N 3.17Å; V108-L127 HydrophobicContact CG2-CD1 4Å; V108-L127 HydrophobicContact CG2-CD2 4.13Å
109T71.1Confident67.9Low72 Ų7294.1 Ų94.144%0.44248%0.484SS..Hα-helixtrans-63.1-41.9175.451.80000111F105 S106 I107 L111 V112 T113F105-T109 WeakPolarHBondContact O-CG2 3.5Å; F105-T109 PolarHBondContact O-N 2.69Å; F105-T109 PolarHBondContact O-OG1 3.35Å; S106-T109 WeakPolarHBondContact CA-OG1 3.47Å; S106-T109 PolarHBondContact O-OG1 3.44Å; I107-T109 PolarHBondContact O-N 2.89Å; T109-L111 PolarHBondContact O-N 2.96Å; T109-V112 PolarHBondContact O-N 3.18Å; T109-T113 WeakPolarHBondContact O-CB 3.35Å; T109-T113 WeakPolarHBondContact O-CG2 3.41Å; T109-T113 PolarHBondContact O-N 3.47Å; T109-T113 PolarHBondContact O-OG1 3.11Å
110D71.6Confident67.1Low70 Ų7096.4 Ų96.437%0.37449%0.488SS..Hα-helixtrans-64.1-39.7175.7-843.2000112.7S106 I107 V108 K114S106-D110 WeakPolarHBondContact O-CB 3.22Å; S106-D110 PolarHBondContact O-N 2.93Å; I107-D110 PolarHBondContact O-N 3.27Å; V108-D110 VanDerWaalsContact C-N 3.34Å; V108-D110 PolarHBondContact O-N 3Å; D110-K114 WeakPolarHBondContact O-CB 3.17Å; D110-K114 PolarHBondContact O-N 3.18Å
111L69.2Low66.4Low31 Ų3196.5 Ų96.516%0.16249%0.489CS..Hα-helixtrans-66.5-43.2176.1-9188.9000111.6I107 V108 T109 I121I107-L111 HydrophobicContact CB-CD1 4.47Å; I107-L111 HydrophobicContact CG2-CD1 3.31Å; I107-L111 WeakPolarHBondContact O-CD1 3.17Å; I107-L111 PolarHBondContact O-N 3.46Å; V108-L111 PolarHBondContact O-N 3.44Å; T109-L111 PolarHBondContact O-N 2.96Å; L111-I121 HydrophobicContact CD2-CG1 4.01Å
112V66.6Low65.6Low94 Ų94100.3 Ų100.357%0.5751%0.512SS*.Hα-helixtrans-78-34.6-176.1174.90000111.5V108 T109 I121V108-V112 HydrophobicContact CG1-CG2 4.18Å; V108-V112 WeakPolarHBondContact O-CB 3.47Å; V108-V112 WeakPolarHBondContact O-CG2 3.3Å; V108-V112 PolarHBondContact O-N 3.17Å; T109-V112 PolarHBondContact O-N 3.18Å; V112-I121 HydrophobicContact CG2-CD1 3.94Å
113T67.3Low64.7Low96 Ų96103.8 Ų103.859%0.58952%0.519SS*.Hα-helixtrans-81.1-29.6-178.2590000113.3T109 K115T109-T113 WeakPolarHBondContact O-CB 3.35Å; T109-T113 WeakPolarHBondContact O-CG2 3.41Å; T109-T113 PolarHBondContact O-N 3.47Å; T109-T113 PolarHBondContact O-OG1 3.11Å; T113-K115 PolarHBondContact O-N 3.41Å
114K64.3Low63.9Low156 Ų156109.3 Ų109.368%0.67853%0.531SS*.SBendtrans-79.174.4173.4-72178.7178.6166.50110.8D110 R116D110-K114 WeakPolarHBondContact O-CB 3.17Å; D110-K114 PolarHBondContact O-N 3.18Å; K114-R116 PolarHBondContact O-N 2.79Å
115K54.7Low63.4Low190 Ų190110.1 Ų110.183%0.82654%0.539SS*.THydrogen-bonded Turntrans-53.894.8168.7-82.9177.1171.5171.60111.6T113T113-K115 PolarHBondContact O-N 3.41Å
116R51.8Low62.9Low255 Ų255104.9 Ų104.996%0.96252%0.518SS*.THydrogen-bonded Turntrans-173.34.4146.4-103.8168.4-158-164.67.6116.7K114K114-R116 PolarHBondContact O-N 2.79Å
117S56.3Low62.3Low78 Ų78103.4 Ų103.455%0.54551%0.505SS..  trans-134.5125.5169.9550000110.9L119S117-L119 PolarHBondContact O-N 2.98Å; S117-L119 WeakPolarHBondContact OG-CD1 3.35Å
118Q54.8Low62.1Low200 Ų200107.7 Ų107.794%0.93552%0.519SS*.  trans-67.265173-71.3178.8-29.500110.7Q120Q118-Q120 PolarHBondContact O-N 2.7Å
119L55.7Low61.8Low77 Ų77109.1 Ų109.140%0.40353%0.525SS..  trans-84.1118.9179.6-72.4172.5000110.1S117 I121S117-L119 PolarHBondContact O-N 2.98Å; S117-L119 WeakPolarHBondContact OG-CD1 3.35Å; L119-I121 PolarHBondContact O-N 2.81Å
120Q57.4Low61.7Low106 Ų106112.6 Ų112.650%0.49553%0.53SS..  trans-7787.6-178.2-65.5177.1-9.800109.9Q118 V122 R123 R124Q118-Q120 PolarHBondContact O-N 2.7Å; Q120-V122 PolarHBondContact O-N 3.03Å; Q120-R123 HydrophobicContact CB-CB 3.93Å; Q120-R123 HydrophobicContact CB-CG 4.46Å; Q120-R123 PolarHBondContact O-N 3.35Å; Q120-R123 VanDerWaalsContact O-N 3.08Å; Q120-R123 VanDerWaalsContact OE1-CB 3.31Å; Q120-R124 PolarHBondContact O-N 3.49Å
121I57.1Low61.5Low52 Ų52110.9 Ų110.927%0.26752%0.522SS..THydrogen-bonded Turntrans-43-38.9176.4-60.6172.5000111.9L111 V112 L119 L127L111-I121 HydrophobicContact CD2-CG1 4.01Å; V112-I121 HydrophobicContact CG2-CD1 3.94Å; L119-I121 PolarHBondContact O-N 2.81Å; I121-L127 HydrophobicContact CG2-CB 4.37Å
122V54.1Low61.5Low136 Ų136111.1 Ų111.182%0.82452%0.524SS*.THydrogen-bonded Turntrans-89.3-31.2-172.9-173.90000113.2Q120Q120-V122 PolarHBondContact O-N 3.03Å
123R56.4Low61.4Low207 Ų207112.7 Ų112.778%0.78154%0.54SS*.THydrogen-bonded Turntrans-93.3-33.7-169.6-69.1-167.9172.5-171.52.8114.5Q120Q120-R123 HydrophobicContact CB-CB 3.93Å; Q120-R123 HydrophobicContact CB-CG 4.46Å; Q120-R123 PolarHBondContact O-N 3.35Å; Q120-R123 VanDerWaalsContact O-N 3.08Å; Q120-R123 VanDerWaalsContact OE1-CB 3.31Å
124R59.9Low61.5Low184 Ų184112.4 Ų112.469%0.69453%0.533SS*.SBendtrans-93.1-17.3-179.4-90-175.6171.7168.5-2.9114.7Q120 D126Q120-R124 PolarHBondContact O-N 3.49Å; R124-D126 VanDerWaalsContact C-N 3.33Å; R124-D126 WeakPolarHBondContact CB-OD1 3.43Å
125G63.7Low61.6Low27 Ų27113.6 Ų113.628%0.27854%0.541SS..  trans75.223.7-172.500000113.3L127 R128 L129G125-L127 PolarHBondContact O-N 3.28Å; G125-R128 WeakPolarHBondContact O-CA 3.3Å; G125-R128 VanDerWaalsContact O-CB 3.31Å; G125-R128 WeakPolarHBondContact O-CB 3.36Å; G125-R128 PolarHBondContact O-N 2.97Å; G125-L129 PolarHBondContact O-N 2.71Å
126D65Low62Low30 Ų30107.9 Ų107.916%0.1652%0.524CS..Hα-helixtrans-58.1-34.4-179.7-63.5-26000112.2R124 R128 L129 R130R124-D126 VanDerWaalsContact C-N 3.33Å; R124-D126 WeakPolarHBondContact CB-OD1 3.43Å; D126-R128 VanDerWaalsContact C-N 3.33Å; D126-R128 PolarHBondContact O-N 2.88Å; D126-L129 PolarHBondContact O-N 2.67Å; D126-R130 PolarHBondContact O-N 3.23Å; D126-R130 VanDerWaalsContact O-N 3.09Å
127L65.6Low62.9Low35 Ų35100.1 Ų100.118%0.18350%0.501CS..Hα-helixtrans-63.1-40.6173.1-176.461.1000111.4I107 V108 I121 G125 R130 V131I107-L127 HydrophobicContact CB-CD1 4.15Å; I107-L127 HydrophobicContact CG2-CD1 3.62Å; V108-L127 HydrophobicContact CG2-CD1 4Å; V108-L127 HydrophobicContact CG2-CD2 4.13Å; I121-L127 HydrophobicContact CG2-CB 4.37Å; G125-L127 PolarHBondContact O-N 3.28Å; L127-R130 PolarHBondContact O-N 2.92Å; L127-V131 HydrophobicContact CD1-CG2 3.83Å; L127-V131 HydrophobicContact CG-CG2 4.12Å; L127-V131 VanDerWaalsContact O-CB 3.31Å; L127-V131 WeakPolarHBondContact O-CB 3.4Å; L127-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 3.1Å
128R68.8Low63.7Low120 Ų120102.2 Ų102.245%0.45351%0.505SS..Hα-helixtrans-67.1-40.2178-173.7177.3170.7-131.9-0.2111.2K90 G125 D126 R130 V131 T132K90-R128 VanDerWaalsContact CE-NH1 3.32Å; G125-R128 WeakPolarHBondContact O-CA 3.3Å; G125-R128 VanDerWaalsContact O-CB 3.31Å; G125-R128 WeakPolarHBondContact O-CB 3.36Å; G125-R128 PolarHBondContact O-N 2.97Å; D126-R128 VanDerWaalsContact C-N 3.33Å; D126-R128 PolarHBondContact O-N 2.88Å; R128-R130 VanDerWaalsContact C-N 3.29Å; R128-R130 PolarHBondContact O-N 3.44Å; R128-V131 PolarHBondContact O-N 3.13Å; R128-T132 HydrophobicContact CG-CG2 4.31Å; R128-T132 WeakPolarHBondContact O-CB 3.47Å; R128-T132 WeakPolarHBondContact O-CG2 3.45Å; R128-T132 PolarHBondContact O-N 3.05Å; R128-T132 PolarHBondContact O-OG1 2.85Å
129L66.5Low64.5Low75 Ų7598 Ų9839%0.39349%0.489SS..Hα-helixtrans-65-29.7175.7-69.7175.7000113G125 D126 P136G125-L129 PolarHBondContact O-N 2.71Å; D126-L129 PolarHBondContact O-N 2.67Å; L129-P136 HydrophobicContact CD2-CB 4.26Å; L129-P136 HydrophobicContact CD2-CG 4.4Å
130R68.2Low65.5Low146 Ų146103.4 Ų103.455%0.55150%0.504SS*.Hα-helixtrans-86.1-31.9175.2-79.5-173.9179-169.10.7114.5I107 D126 L127 R128I107-R130 HydrophobicContact CD1-CB 4.18Å; I107-R130 HydrophobicContact CG2-CB 3.99Å; D126-R130 PolarHBondContact O-N 3.23Å; D126-R130 VanDerWaalsContact O-N 3.09Å; L127-R130 PolarHBondContact O-N 2.92Å; R128-R130 VanDerWaalsContact C-N 3.29Å; R128-R130 PolarHBondContact O-N 3.44Å
131V69.1Low66Low34 Ų34103.1 Ų103.121%0.20651%0.506CS..Hα-helixtrans-78.7-25.4179.1172.50000111.3A104 I107 L127 R128A104-V131 HydrophobicContact CB-CG2 4.3Å; I107-V131 HydrophobicContact CD1-CG2 3.78Å; L127-V131 HydrophobicContact CD1-CG2 3.83Å; L127-V131 HydrophobicContact CG-CG2 4.12Å; L127-V131 VanDerWaalsContact O-CB 3.31Å; L127-V131 WeakPolarHBondContact O-CB 3.4Å; L127-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 3.1Å; R128-V131 PolarHBondContact O-N 3.13Å
132T67.3Low66.7Low35 Ų35102.6 Ų102.622%0.21551%0.509CS..SBendtrans-107.7143.4177.766.30000110.4R128 I134R128-T132 HydrophobicContact CG-CG2 4.31Å; R128-T132 WeakPolarHBondContact O-CB 3.47Å; R128-T132 WeakPolarHBondContact O-CG2 3.45Å; R128-T132 PolarHBondContact O-N 3.05Å; R128-T132 PolarHBondContact O-OG1 2.85Å; T132-I134 HydrophobicContact CG2-CD1 4.38Å; T132-I134 PolarHBondContact O-N 2.97Å; T132-I134 WeakPolarHBondContact OG1-CD1 3.19Å; T132-I134 WeakPolarHBondContact OG1-CG1 3.45Å
133S64.8Low67.6Low128 Ų128102.7 Ų102.790%0.89550%0.501SS*.  trans-72.726.9172.660.90000113E135S133-E135 PolarHBondContact O-N 3.14Å
134I71Confident68.1Low89 Ų8996.8 Ų96.846%0.45649%0.491SS..  trans-84.8110.6-178.7-61.6173.1000107.7T132 P136T132-I134 HydrophobicContact CG2-CD1 4.38Å; T132-I134 PolarHBondContact O-N 2.97Å; T132-I134 WeakPolarHBondContact OG1-CD1 3.19Å; T132-I134 WeakPolarHBondContact OG1-CG1 3.45Å; I134-P136 WeakPolarHBondContact O-CD 3.12Å
135E65.4Low68.1Low181 Ų18194.9 Ų94.985%0.84649%0.489SS*.  trans-75.4121.4170.8-65.8-175.4156.500109.8S133 N137S133-E135 PolarHBondContact O-N 3.14Å; E135-N137 PolarHBondContact O-N 3.38Å
136P62.6Low67.6Low70 Ų7099.7 Ų99.746%0.45551%0.508SS..  trans-69.4133.5175.228.5-31.9000109.4L129 I134 I138L129-P136 HydrophobicContact CD2-CB 4.26Å; L129-P136 HydrophobicContact CD2-CG 4.4Å; I134-P136 WeakPolarHBondContact O-CD 3.12Å; P136-I138 WeakPolarHBondContact O-CG1 3.32Å; P136-I138 PolarHBondContact O-N 3.44Å
137N71.7Confident66.8Low92 Ų92101.5 Ų101.549%0.49253%0.534SS..  trans-68.997.6171.6-174.4-53.4000109.1E135 D139 R140 L141E135-N137 PolarHBondContact O-N 3.38Å; N137-D139 VanDerWaalsContact C-N 3.28Å; N137-D139 PolarHBondContact O-N 3.48Å; N137-D139 PolarHBondContact OD1-N 3.23Å; N137-R140 HydrophobicContact CB-CB 4.5Å; N137-R140 WeakPolarHBondContact OD1-CG 3.45Å; N137-R140 PolarHBondContact OD1-N 3.14Å; N137-L141 PolarHBondContact O-N 3.22Å
138I72.2Confident65.9Low123 Ų123108.6 Ų108.663%0.63157%0.566SS**Hα-helixtrans-63.8-37-175-53.1178.1000110.1P136 L141 A142P136-I138 WeakPolarHBondContact O-CG1 3.32Å; P136-I138 PolarHBondContact O-N 3.44Å; I138-L141 PolarHBondContact O-N 3.04Å; I138-A142 WeakPolarHBondContact O-CB 3.41Å; I138-A142 PolarHBondContact O-N 3.35Å
139D72.9Confident64.8Low112 Ų112108.8 Ų108.860%0.59958%0.583SS**Hα-helixtrans-63.5-46.6-177.6-54.2-44.8000111.7N137 L141 A142 Q143N137-D139 VanDerWaalsContact C-N 3.28Å; N137-D139 PolarHBondContact O-N 3.48Å; N137-D139 PolarHBondContact OD1-N 3.23Å; D139-L141 VanDerWaalsContact C-N 3.3Å; D139-L141 PolarHBondContact O-N 2.81Å; D139-A142 PolarHBondContact O-N 2.89Å; D139-Q143 WeakPolarHBondContact O-CB 3.47Å; D139-Q143 WeakPolarHBondContact O-CG 3.44Å; D139-Q143 PolarHBondContact O-N 3.43Å
140R75Confident63.9Low189 Ų189109.7 Ų109.771%0.71360%0.596SS**Hα-helixtrans-63.9-37.7175.2-71.9-170.492.2-171.59.2111.9N137 S144N137-R140 HydrophobicContact CB-CB 4.5Å; N137-R140 WeakPolarHBondContact OD1-CG 3.45Å; N137-R140 PolarHBondContact OD1-N 3.14Å; R140-S144 PolarHBondContact O-N 2.86Å; R140-S144 PolarHBondContact O-OG 3.39Å
141L68.8Low63.4Low100 Ų100108.7 Ų108.752%0.52461%0.611SS.*Hα-helixtrans-67.4-44.8179.1-164.575.6000110.7N137 I138 D139 S144 H145N137-L141 PolarHBondContact O-N 3.22Å; I138-L141 PolarHBondContact O-N 3.04Å; D139-L141 VanDerWaalsContact C-N 3.3Å; D139-L141 PolarHBondContact O-N 2.81Å; L141-S144 PolarHBondContact O-N 3.44Å; L141-S144 PolarHBondContact O-OG 3.23Å; L141-H145 PolarHBondContact O-CD2 3.46Å; L141-H145 VanDerWaalsContact O-CD2 3.31Å; L141-H145 PolarHBondContact O-N 3.26Å
142A71.5Confident62.6Low41 Ų41110.7 Ų110.734%0.33963%0.627SS.*Hα-helixtrans-59.8-48175.200000110.8I138 D139 S144 H145 L146I138-A142 WeakPolarHBondContact O-CB 3.41Å; I138-A142 PolarHBondContact O-N 3.35Å; D139-A142 PolarHBondContact O-N 2.89Å; A142-S144 VanDerWaalsContact C-N 3.28Å; A142-S144 PolarHBondContact O-N 2.67Å; A142-H145 PolarHBondContact O-N 2.78Å; A142-H145 VanDerWaalsContact O-N 3.1Å; A142-L146 HydrophobicContact CB-CD1 4.43Å; A142-L146 WeakPolarHBondContact O-CB 3.49Å; A142-L146 VanDerWaalsContact O-CG 3.23Å; A142-L146 WeakPolarHBondContact O-CG 3.25Å; A142-L146 PolarHBondContact O-N 3.24Å
143Q72.8Confident61.9Low139 Ų139115.1 Ų115.165%0.6566%0.656SS**Hα-helixtrans-58.9-36.9176.9-72.1168.222.100112.9D139 H145D139-Q143 WeakPolarHBondContact O-CB 3.47Å; D139-Q143 WeakPolarHBondContact O-CG 3.44Å; D139-Q143 PolarHBondContact O-N 3.43Å; Q143-H145 VanDerWaalsContact C-N 3.31Å; Q143-H145 PolarHBondContact O-N 3.27Å
144S67Low61.3Low82 Ų82115.1 Ų115.157%0.57365%0.645SS**Hα-helixtrans-73.3-20.7178.771.60000114.5R140 L141 A142R140-S144 PolarHBondContact O-N 2.86Å; R140-S144 PolarHBondContact O-OG 3.39Å; L141-S144 PolarHBondContact O-N 3.44Å; L141-S144 PolarHBondContact O-OG 3.23Å; A142-S144 VanDerWaalsContact C-N 3.28Å; A142-S144 PolarHBondContact O-N 2.67Å
145H61.3Low60.1Low144 Ų144117 Ų11767%0.66766%0.663SS**Hα-helixtrans-107.3-14.9-178.2-75.4-60.1000113.9L141 A142 Q143 G147L141-H145 PolarHBondContact O-CD2 3.46Å; L141-H145 VanDerWaalsContact O-CD2 3.31Å; L141-H145 PolarHBondContact O-N 3.26Å; A142-H145 PolarHBondContact O-N 2.78Å; A142-H145 VanDerWaalsContact O-N 3.1Å; Q143-H145 VanDerWaalsContact C-N 3.31Å; Q143-H145 PolarHBondContact O-N 3.27Å; H145-G147 VanDerWaalsContact C-N 3.32Å; H145-G147 PolarHBondContact O-N 3.07Å
146L52.3Low59.9Low129 Ų129112.2 Ų112.268%0.67566%0.663SS**  trans-78.386.1167.6-69167.4000108A142 E148A142-L146 HydrophobicContact CB-CD1 4.43Å; A142-L146 WeakPolarHBondContact O-CB 3.49Å; A142-L146 VanDerWaalsContact O-CG 3.23Å; A142-L146 WeakPolarHBondContact O-CG 3.25Å; A142-L146 PolarHBondContact O-N 3.24Å; L146-E148 PolarHBondContact O-N 2.93Å
147G48Very low59.7Low68 Ų68114 Ų11470%0.70167%0.667SS**  trans-52.1134.4160.800000108.8H145H145-G147 VanDerWaalsContact C-N 3.32Å; H145-G147 PolarHBondContact O-N 3.07Å
148E45.9Very low59.1Low183 Ų183121.3 Ų121.386%0.85569%0.688SS**  trans-45.4132.5-172.7-62.3-161.2153.100111.6L146 S150L146-E148 PolarHBondContact O-N 2.93Å; E148-S150 PolarHBondContact O-N 3.17Å
149P46.9Very low58.6Low124 Ų124121.1 Ų121.181%0.80568%0.683SS**  trans-62109.5-178.924.4-31.4000108.4S151P149-S151 PolarHBondContact O-N 2.96Å
150S47.5Very low58.4Low95 Ų95120.1 Ų120.166%0.66468%0.677SS**  trans-56.9115.3173.861.50000108.1E148 S152E148-S150 PolarHBondContact O-N 3.17Å; S150-S152 PolarHBondContact O-N 3Å
151S58.1Low57.2Low124 Ų124121.7 Ų121.787%0.86768%0.683SS**SBendtrans-70.430.3-172.150.20000114.6P149P149-S151 PolarHBondContact O-N 2.96Å
152S50.7Low57.1Low77 Ų77126.3 Ų126.354%0.53869%0.694SS.*  trans-121.2116.4-176.6-13.10000110.5S150 L154S150-S152 PolarHBondContact O-N 3Å; S152-L154 PolarHBondContact O-N 3.18Å; S152-L154 VanDerWaalsContact O-N 3.13Å
153P53.3Low56.6Low127 Ų127128.2 Ų128.283%0.82570%0.696SS**  trans-63.9113.7172-1729.6000109.6P155P153-P155 WeakPolarHBondContact O-CD 3.23Å
154L52.3Low55.9Low128 Ų128126.9 Ų126.967%0.6769%0.69SS**  trans-71.5118.6173-70.7175.3000109.6S152 G156 I157S152-L154 PolarHBondContact O-N 3.18Å; S152-L154 VanDerWaalsContact O-N 3.13Å; L154-G156 PolarHBondContact O-N 3.26Å; L154-I157 HydrophobicContact CB-CD1 4.4Å; L154-I157 HydrophobicContact CD1-CD1 4.28Å
155P46.3Very low55.2Low129 Ų129124.7 Ų124.784%0.83868%0.68SS**THydrogen-bonded Turntrans-72.7125179.527.5-29.4000110.1P153P153-P155 WeakPolarHBondContact O-CD 3.23Å
156G60Low55Low81 Ų81121.3 Ų121.384%0.83567%0.666SS**THydrogen-bonded Turntrans114.4-1.216800000116.9L154 R158L154-G156 PolarHBondContact O-N 3.26Å; G156-R158 PolarHBondContact O-N 3.49Å
157I60.2Low54.9Low108 Ų108118.2 Ų118.255%0.55466%0.659SS**  trans-85.9109.4174.6-56.8-176.7000109.5L154 F159L154-I157 HydrophobicContact CB-CD1 4.4Å; L154-I157 HydrophobicContact CD1-CD1 4.28Å; I157-F159 PolarHBondContact O-N 2.66Å
158R59.2Low55.3Low244 Ų244119.4 Ų119.492%0.92166%0.657SS**  trans-70.593.1171.2-146.7-179.6-164.4-172.84.7107.9G156 N160G156-R158 PolarHBondContact O-N 3.49Å; R158-N160 PolarHBondContact O-N 3.41Å
159F60.4Low55.7Low120 Ų120118.3 Ų118.353%0.52665%0.652SS.*  trans-53.1125.9174.7-96.2-99.9000109.9I157 Q163 Q164I157-F159 PolarHBondContact O-N 2.66Å; F159-Q163 HydrophobicContact CD1-CB 3.5Å; F159-Q163 HydrophobicContact CD1-CG 4.28Å; F159-Q163 HydrophobicContact CE1-CB 3.96Å; F159-Q163 HydrophobicContact CE1-CG 4.44Å; F159-Q164 HydrophobicContact CB-CG 4.39Å
160N69.1Low55.9Low90 Ų90119.7 Ų119.748%0.48165%0.647SS.*  trans-74.4153.5177.656.716.7000109.9R158 W162 Q163 Q164R158-N160 PolarHBondContact O-N 3.41Å; N160-W162 PolarHBondContact O-N 3.15Å; N160-Q163 PolarHBondContact O-N 3.27Å; N160-Q163 VanDerWaalsContact OD1-CB 3.25Å; N160-Q163 WeakPolarHBondContact OD1-CB 3.37Å; N160-Q163 WeakPolarHBondContact OD1-CG 3.18Å; N160-Q163 PolarHBondContact OD1-N 3.23Å; N160-Q163 VanDerWaalsContact OD1-N 3.14Å; N160-Q163 PolarHBondContact OD1-OE1 3.1Å; N160-Q163 VanDerWaalsContact OD1-OE1 3.08Å; N160-Q164 PolarHBondContact O-N 3.22Å; N160-Q164 VanDerWaalsContact O-N 3.13Å
161R50.5Low55.9Low222 Ų222122.2 Ų122.284%0.83865%0.652SS**Hα-helixtrans-54.9-25.9-176.5-176.3177.8-75.6-167.5-3.9113G165R161-G165 PolarHBondContact O-N 3.4Å
162W65.5Low55.2Low197 Ų197123.1 Ų123.175%0.74665%0.648SS**Hα-helixtrans-72.4-43.5176.4-16076.2000112.4N160 Q164 G165 I166N160-W162 PolarHBondContact O-N 3.15Å; W162-Q164 VanDerWaalsContact C-N 3.31Å; W162-Q164 PolarHBondContact O-N 3.03Å; W162-G165 PolarHBondContact O-N 2.77Å; W162-G165 VanDerWaalsContact O-N 3.1Å; W162-I166 HydrophobicContact CD2-CD1 4.45Å; W162-I166 HydrophobicContact CE3-CD1 3.83Å; W162-I166 HydrophobicContact CH2-CD1 3.78Å; W162-I166 HydrophobicContact CZ2-CD1 4.38Å; W162-I166 HydrophobicContact CZ3-CD1 3.47Å; W162-I166 VanDerWaalsContact CZ3-CD1 3.47Å; W162-I166 PolarHBondContact O-N 2.88Å
163Q61.1Low54.8Low82 Ų82127.7 Ų127.738%0.38367%0.665SS.*Hα-helixtrans-67-31.4173.2-75.3172.7-39.900112.7F159 N160 G165 I166 A167F159-Q163 HydrophobicContact CD1-CB 3.5Å; F159-Q163 HydrophobicContact CD1-CG 4.28Å; F159-Q163 HydrophobicContact CE1-CB 3.96Å; F159-Q163 HydrophobicContact CE1-CG 4.44Å; N160-Q163 PolarHBondContact O-N 3.27Å; N160-Q163 VanDerWaalsContact OD1-CB 3.25Å; N160-Q163 WeakPolarHBondContact OD1-CB 3.37Å; N160-Q163 WeakPolarHBondContact OD1-CG 3.18Å; N160-Q163 PolarHBondContact OD1-N 3.23Å; N160-Q163 VanDerWaalsContact OD1-N 3.14Å; N160-Q163 PolarHBondContact OD1-OE1 3.1Å; N160-Q163 VanDerWaalsContact OD1-OE1 3.08Å; Q163-G165 VanDerWaalsContact C-N 3.26Å; Q163-G165 PolarHBondContact O-N 3.35Å; Q163-I166 PolarHBondContact O-N 2.83Å; Q163-A167 PolarHBondContact O-N 2.85Å
164Q58.9Low54.2Low111 Ų111126.1 Ų126.152%0.51966%0.657SS.*Hα-helixtrans-65.1-30.8171.2-71.7175.4-000112.2F159 N160 W162 S168F159-Q164 HydrophobicContact CB-CG 4.39Å; N160-Q164 PolarHBondContact O-N 3.22Å; N160-Q164 VanDerWaalsContact O-N 3.13Å; W162-Q164 VanDerWaalsContact C-N 3.31Å; W162-Q164 PolarHBondContact O-N 3.03Å; Q164-S168 PolarHBondContact O-N 3.33Å; Q164-S168 PolarHBondContact O-OG 3.11Å
165G52.8Low53.8Low36 Ų36129 Ų12937%0.37167%0.667SS.*Hα-helixtrans-71.2-34.3177.300000113.9R161 W162 Q163 S168 Q169R161-G165 PolarHBondContact O-N 3.4Å; W162-G165 PolarHBondContact O-N 2.77Å; W162-G165 VanDerWaalsContact O-N 3.1Å; Q163-G165 VanDerWaalsContact C-N 3.26Å; Q163-G165 PolarHBondContact O-N 3.35Å; G165-S168 PolarHBondContact O-N 3.3Å; G165-Q169 PolarHBondContact O-N 3.31Å
166I56Low53.6Low72 Ų72131.3 Ų131.337%0.36967%0.667SS.*Hα-helixtrans-69.6-45.5179.1-63.5179000110.6W162 Q163 S168 Q169 E170W162-I166 HydrophobicContact CD2-CD1 4.45Å; W162-I166 HydrophobicContact CE3-CD1 3.83Å; W162-I166 HydrophobicContact CH2-CD1 3.78Å; W162-I166 HydrophobicContact CZ2-CD1 4.38Å; W162-I166 HydrophobicContact CZ3-CD1 3.47Å; W162-I166 VanDerWaalsContact CZ3-CD1 3.47Å; W162-I166 PolarHBondContact O-N 2.88Å; Q163-I166 PolarHBondContact O-N 2.83Å; I166-S168 PolarHBondContact O-N 3.49Å; I166-Q169 PolarHBondContact O-N 2.99Å; I166-Q169 VanDerWaalsContact O-N 3.07Å; I166-E170 PolarHBondContact O-N 3.45Å
167A49.9Very low52.6Low65 Ų65136.5 Ų136.554%0.53767%0.669SS.*Hα-helixtrans-65.2-22.3179.200000113.8Q163Q163-A167 PolarHBondContact O-N 2.85Å
168S56.9Low51.9Low93 Ų93137.6 Ų137.665%0.6568%0.676SS**THydrogen-bonded Turntrans-85.9-12.4175-64.10000114.1Q164 G165 I166Q164-S168 PolarHBondContact O-N 3.33Å; Q164-S168 PolarHBondContact O-OG 3.11Å; G165-S168 PolarHBondContact O-N 3.3Å; I166-S168 PolarHBondContact O-N 3.49Å
169Q54.4Low50.7Low160 Ų160133.2 Ų133.275%0.74867%0.671SS**THydrogen-bonded Turntrans-97.7-12.2177.9-93.5-179.7-1600113.9G165 I166 L171G165-Q169 PolarHBondContact O-N 3.31Å; I166-Q169 PolarHBondContact O-N 2.99Å; I166-Q169 VanDerWaalsContact O-N 3.07Å; Q169-L171 VanDerWaalsContact C-N 3.32Å; Q169-L171 PolarHBondContact O-N 2.99Å
170E51.3Low50.1Low153 Ų153133.5 Ų133.572%0.71568%0.683SS**THydrogen-bonded Turntrans-845.2178.8-93.9172.4105.900114.8I166I166-E170 PolarHBondContact O-N 3.45Å
171L48.1Very low48.7Very low147 Ų147136.8 Ų136.877%0.7770%0.695SS**THydrogen-bonded Turntrans-108.86.4-176-98.5160.8000116Q169Q169-L171 VanDerWaalsContact C-N 3.32Å; Q169-L171 PolarHBondContact O-N 2.99Å
172D42.6Very low48.7Very low143 Ų143133.9 Ų133.977%0.76570%0.695SS**SBendtrans-127.618.2-178.2-88.1-43.8000114.7
173L42.5Very low47.6Very low174 Ų174132.1 Ų132.191%0.91170%0.695SS**  trans-113.352.5174.3-66176.4000111.7
174S41.2Very low46.4Very low93 Ų93134.1 Ų134.165%0.6572%0.715SS**  trans-114.4138.7155.956.30000106.9
175E42.9Very low45.5Very low189 Ų189137.1 Ų137.188%0.88374%0.735SS**  trans93.370.1176.2-48.6-174.1144.600116.4
176Q41.2Very low45Very low177 Ų177142.8 Ų142.883%0.82776%0.757SS**  trans-163.572.2131.3-144.6157.222.700112.5
177E40.3Very low44.3Very low190 Ų190144.1 Ų144.189%0.88877%0.77SS**  trans-75.6114.6150-70.9-178.8128.300106.5
178N45.6Very low43.8Very low131 Ų131147.4 Ų147.470%0.70178%0.783SS**  trans-148.3128.2158-82.9-67.6000109.9
179D33.6Very low43Very low152 Ų152154.2 Ų154.281%0.81380%0.795SS**  trans-49.4130.5-175.3-55.5-92000115.8
180V48.6Very low42.2Very low127 Ų127155.6 Ų155.677%0.7780%0.801SS**  trans-138.599.9150.4173.90000108.8L182V180-L182 HydrophobicContact CG1-CD1 4.36Å; V180-L182 HydrophobicContact CG1-CG 4.06Å
181E39.6Very low41.7Very low159 Ų159151.4 Ų151.474%0.74380%0.799SS**  trans-74.3123.1166.5-174.9177.6143.200109.2
182L49.2Very low41.2Very low160 Ų160153.3 Ų153.384%0.83880%0.804SS**  trans-129.1118.7165.1-73.4176.2000109.4V180V180-L182 HydrophobicContact CG1-CD1 4.36Å; V180-L182 HydrophobicContact CG1-CG 4.06Å
183Q42.5Very low41.2Very low161 Ų161156.2 Ų156.275%0.75281%0.811SS**PPolyproline II helixtrans-75.1162.7-175.7-69.8-159.7-30.900113.4
184P35.8Very low41.3Very low123 Ų123156.5 Ų156.580%0.79981%0.807SS**PPolyproline II helixtrans-92.4130.3-173.534.8-28.8000112.6
185D40.6Very low41.2Very low174 Ų174160.6 Ų160.693%0.9382%0.816SS**PPolyproline II helixtrans-87.5128.7169.7-83.1-41.7000112
186N42.8Very low41.3Very low156 Ų156157 Ų15783%0.83481%0.807SS**PPolyproline II helixtrans-83158-179-167.147.2000111.6
187P40Very low41.1Very low99 Ų99155.2 Ų155.264%0.64380%0.803SS**PPolyproline II helixtrans-100.7160.1-158.839.8-32.5000113.8
188T40.1Very low41.2Very low134 Ų134154.8 Ų154.882%0.82280%0.798SS**  trans-162119.7159.2-48.50000111
189R40Very low41.3Very low236 Ų236157.5 Ų157.589%0.89181%0.807SS**  170139.7117.2-94.9-17184.1106.5-3112.1
190E37.6Very low42Very low189 Ų189156.7 Ų156.788%0.88380%0.803SS**  trans-80.3144-170.2-46-170.9144.400110.4
191G41.4Very low41.9Very low65 Ų65155.9 Ų155.967%0.6780%0.803SS**  trans-145.794.1171.700000108F193G191-F193 PolarHBondContact O-N 3.31Å
192E37.6Very low42.1Very low187 Ų187155.7 Ų155.787%0.87481%0.812SS**  trans-58.4124.3169.1-61.9162.7126.200109
193F41.9Very low41.9Very low205 Ų205152.1 Ų152.190%0.89981%0.806SS**  trans-136.1124.2155.8-78.5-78.6000109.1G191G191-F193 PolarHBondContact O-N 3.31Å
194E44.5Very low42.3Very low180 Ų180152.4 Ų152.484%0.84181%0.809SS**  trans-59.9146.2-174.4-67.1-179.2125.500112.9V196E194-V196 PolarHBondContact O-N 2.94Å
195E38.4Very low42.8Very low179 Ų179152.9 Ų152.984%0.83681%0.805SS**  trans-65.7112.7167.5-164.3167.6-153.900108.5
196V45.1Very low43.4Very low113 Ų113152.5 Ų152.569%0.68580%0.797SS**  trans-108.6104.1172.5-178.60000108.5E194 F198E194-V196 PolarHBondContact O-N 2.94Å; V196-F198 HydrophobicContact CG1-CD2 4.01Å
197D38.4Very low43.6Very low140 Ų140152.1 Ų152.175%0.74980%0.795SS**  trans-66.9130.4164.8-65.6-42.5000109.8
198F41.3Very low44Very low180 Ų180152 Ų15279%0.78980%0.802SS**  trans-131.969.2170.8-126-91.2000110.4V196 N200V196-F198 HydrophobicContact CG1-CD2 4.01Å; F198-N200 PolarHBondContact O-N 3.48Å
199E48.9Very low44.2Very low188 Ų188152.2 Ų152.288%0.87980%0.803SS**  trans-78.3100.2149.6-77.8-173.2131.900108
200N48.4Very low44.6Very low136 Ų136145.8 Ų145.873%0.72779%0.794SS**  trans156.2115.5143.8-90.5-16.5000110.5F198F198-N200 PolarHBondContact O-N 3.48Å
201S46.3Very low45.7Very low110 Ų110143 Ų14377%0.76979%0.79SS**  15092.8121.456.80000110
202V43Very low46.5Very low154 Ų154148.2 Ų148.293%0.93380%0.797SS**  trans-123.9108.1149.1179.50000105.1
203A46.2Very low48Very low86 Ų86143.5 Ų143.571%0.71178%0.783SS**  trans-133.9138.3167.300000108.4
204M49.1Very low48.9Very low166 Ų166139.1 Ų139.182%0.81877%0.769SS**  trans81.9139.8165.7-41.9-147.977.100116
205D46.9Very low50.2Low134 Ų134135.1 Ų135.172%0.71776%0.758SS**  cis-178.6160.8-33.1-115-41.2000103.3
206E52.6Low51.9Low166 Ų166130.1 Ų130.178%0.77674%0.742SS**  trans79.5107.3156.7-64-125.592.900121
207L48.1Very low53.2Low148 Ų148127.6 Ų127.678%0.77573%0.733SS**  83.987.1122-151.281.2000118.9
208A48.9Very low55Low97 Ų97125 Ų12580%0.80272%0.718SS**  trans-144.7106.8142.500000109.7S210A208-S210 PolarHBondContact O-N 3.19Å
209T42.8Very low56.5Low137 Ų137122.4 Ų122.484%0.8471%0.707SS**  trans-67.2106.1169.4-44.10000108.5
210S49.5Very low58Low101 Ų101120.3 Ų120.371%0.70670%0.697SS**  trans-139.5111.1165.81780000108.2A208 E212A208-S210 PolarHBondContact O-N 3.19Å; S210-E212 PolarHBondContact O-N 2.94Å
211T61Low59.3Low131 Ų131117 Ų11780%0.80468%0.684SS**  trans-62.597.6173.7-48.70000108.6
212E58.3Low60.8Low175 Ų175116.7 Ų116.782%0.81867%0.672SS**PPolyproline II helixtrans-67.8127.9166.1-85.3-149.2125.600109.2S210S210-E212 PolarHBondContact O-N 2.94Å
213P68.2Low62.5Low88 Ų88114.2 Ų114.257%0.57165%0.653SS**PPolyproline II helixtrans-71.4141.2174.427.7-30.1000110.9I218P213-I218 HydrophobicContact CG-CD1 4.26Å
214D60.9Low64Low113 Ų113113 Ų11360%0.60464%0.642SS**PPolyproline II helixtrans-53.3122.9-175.8-145.3-17.3000111.4P216 A217D214-P216 VanDerWaalsContact C-N 3.33Å; D214-P216 HydrophobicContact CB-CG 4.48Å; D214-P216 VanDerWaalsContact O-N 3.15Å; D214-P216 WeakPolarHBondContact OD1-CD 3.31Å; D214-A217 WeakPolarHBondContact O-CB 3.43Å; D214-A217 PolarHBondContact O-N 2.91Å
215P71.5Confident65.3Low95 Ų95112 Ų11262%0.61764%0.636SS**Hα-helixtrans-48.8-38.2-178.1-25.131.1000116.3A217 I218 F219P215-A217 VanDerWaalsContact C-N 3.3Å; P215-A217 PolarHBondContact O-N 3.43Å; P215-I218 PolarHBondContact O-N 3.31Å; P215-F219 PolarHBondContact O-N 3.15Å
216P75.6Confident66.5Low75 Ų75108.9 Ų108.949%0.48763%0.629SS.*Hα-helixtrans-67.8-27.1177.624.2-32.6000113.5D214 F219 Q220D214-P216 VanDerWaalsContact C-N 3.33Å; D214-P216 HydrophobicContact CB-CG 4.48Å; D214-P216 VanDerWaalsContact O-N 3.15Å; D214-P216 WeakPolarHBondContact OD1-CD 3.31Å; P216-F219 PolarHBondContact O-N 2.9Å; P216-Q220 PolarHBondContact O-N 3.14Å; P216-Q220 VanDerWaalsContact O-N 3.09Å
217A71.8Confident67.7Low60 Ų60109.3 Ų109.350%0.49663%0.631SS.*Hα-helixtrans-70.6-39.4178.900000111.7D214 P215 F219 Q220 S221D214-A217 WeakPolarHBondContact O-CB 3.43Å; D214-A217 PolarHBondContact O-N 2.91Å; P215-A217 VanDerWaalsContact C-N 3.3Å; P215-A217 PolarHBondContact O-N 3.43Å; A217-F219 VanDerWaalsContact C-N 3.26Å; A217-F219 PolarHBondContact O-N 3.28Å; A217-Q220 PolarHBondContact O-N 2.8Å; A217-S221 PolarHBondContact O-N 3.26Å
218I76.3Confident68.8Low86 Ų86111.3 Ų111.344%0.44164%0.636SS.*Hα-helixtrans-59.7-41.9174.1-55.8178.2000109.8P213 P215 S221 M222P213-I218 HydrophobicContact CG-CD1 4.26Å; P215-I218 PolarHBondContact O-N 3.31Å; I218-S221 PolarHBondContact O-N 2.94Å; I218-M222 HydrophobicContact CG2-CE 4.26Å; I218-M222 WeakPolarHBondContact O-CG 3.42Å; I218-M222 PolarHBondContact O-N 2.9Å
219F73Confident69.1Low125 Ų125113.7 Ų113.755%0.54866%0.655SS.*Hα-helixtrans-67.8-39.4-179.5-154-95.6000113.1P215 P216 A217 M222 L223P215-F219 PolarHBondContact O-N 3.15Å; P216-F219 PolarHBondContact O-N 2.9Å; A217-F219 VanDerWaalsContact C-N 3.26Å; A217-F219 PolarHBondContact O-N 3.28Å; F219-M222 HydrophobicContact CD2-CE 3.81Å; F219-M222 HydrophobicContact CE2-CE 4.41Å; F219-M222 HydrophobicContact CG-CE 4.48Å; F219-M222 PolarHBondContact O-N 3.35Å; F219-L223 HydrophobicContact CD1-CD1 3.93Å; F219-L223 HydrophobicContact CD1-CG 4.34Å; F219-L223 HydrophobicContact CE1-CD1 3.93Å; F219-L223 HydrophobicContact CE1-CG 4.3Å; F219-L223 WeakPolarHBondContact O-CG 3.47Å; F219-L223 PolarHBondContact O-N 3.43Å; F219-L223 VanDerWaalsContact O-N 3.1Å
220Q80Confident70.4Confident144 Ų144112.5 Ų112.567%0.67365%0.646SS**Hα-helixtrans-68-36.4175.5-71.9-170.517.400112.2P216 A217 L223 A224P216-Q220 PolarHBondContact O-N 3.14Å; P216-Q220 VanDerWaalsContact O-N 3.09Å; A217-Q220 PolarHBondContact O-N 2.8Å; Q220-L223 PolarHBondContact O-N 3.4Å; Q220-A224 PolarHBondContact O-N 3.13Å
221S76.1Confident71.5Confident67 Ų67113.1 Ų113.147%0.46964%0.643SS.*Hα-helixtrans-65.1-42.2175.8-145.40000111.6A217 I218 L223 A224 E225A217-S221 PolarHBondContact O-N 3.26Å; I218-S221 PolarHBondContact O-N 2.94Å; S221-L223 VanDerWaalsContact C-N 3.3Å; S221-L223 PolarHBondContact O-N 3.11Å; S221-A224 PolarHBondContact O-N 3.05Å; S221-E225 PolarHBondContact O-N 3.41Å; S221-E225 VanDerWaalsContact O-N 3.07Å
222M76.5Confident72.1Confident103 Ų103112.1 Ų112.151%0.50763%0.634SS.*Hα-helixtrans-64-32.6174.7-70.5-170.4-6200113I218 F219 A226I218-M222 HydrophobicContact CG2-CE 4.26Å; I218-M222 WeakPolarHBondContact O-CG 3.42Å; I218-M222 PolarHBondContact O-N 2.9Å; F219-M222 HydrophobicContact CD2-CE 3.81Å; F219-M222 HydrophobicContact CE2-CE 4.41Å; F219-M222 HydrophobicContact CG-CE 4.48Å; F219-M222 PolarHBondContact O-N 3.35Å; M222-A226 PolarHBondContact O-N 2.83Å
223L78.4Confident72.9Confident102 Ų102108.4 Ų108.453%0.53462%0.623SS.*Hα-helixtrans-73-38.3175.1-74.7175000112.3F219 Q220 S221 A226F219-L223 HydrophobicContact CD1-CD1 3.93Å; F219-L223 HydrophobicContact CD1-CG 4.34Å; F219-L223 HydrophobicContact CE1-CD1 3.93Å; F219-L223 HydrophobicContact CE1-CG 4.3Å; F219-L223 WeakPolarHBondContact O-CG 3.47Å; F219-L223 PolarHBondContact O-N 3.43Å; F219-L223 VanDerWaalsContact O-N 3.1Å; Q220-L223 PolarHBondContact O-N 3.4Å; S221-L223 VanDerWaalsContact C-N 3.3Å; S221-L223 PolarHBondContact O-N 3.11Å; L223-A226 PolarHBondContact O-N 3.25Å
224A77.9Confident73.2Confident59 Ų59109.7 Ų109.749%0.48863%0.627SS.*Hα-helixtrans-66.4-39.1177.200000112.2Q220 S221 A226 E227Q220-A224 PolarHBondContact O-N 3.13Å; S221-A224 PolarHBondContact O-N 3.05Å; A224-A226 PolarHBondContact O-N 3.18Å; A224-E227 PolarHBondContact O-N 3.38Å
225E76.9Confident74Confident147 Ų147109.5 Ų109.569%0.68763%0.628SS**Hα-helixtrans-67.4-23.4176.2-73.2-178.917700113.3S221S221-E225 PolarHBondContact O-N 3.41Å; S221-E225 VanDerWaalsContact O-N 3.07Å
226A73.2Confident74.2Confident68 Ų68110.5 Ų110.556%0.56263%0.629SS**Hα-helixtrans-83.1-15.2178.200000114M222 L223 A224M222-A226 PolarHBondContact O-N 2.83Å; L223-A226 PolarHBondContact O-N 3.25Å; A224-A226 PolarHBondContact O-N 3.18Å
227E77.5Confident74.1Confident175 Ų175113.2 Ų113.282%0.81864%0.64SS**Hα-helixtrans-91.7-14.1177.7-73.3-170.1154.900113.6A224A224-E227 PolarHBondContact O-N 3.38Å
228E70.3Confident74.3Confident190 Ų190117.7 Ų117.789%0.88865%0.652SS**  trans-94.53.5177.7-70.3-160.2158.400114.8
229A55.2Low74.1Confident146 Ų146120.5 Ų120.5100%1.20767%0.671SS**  trans-111.2017800000113

Retrieved 229 of 229 residues in 160.4 ms (Link to these results)