A0A3Q0KIS4_SCHMA Loading...

Lipoate-protein ligase, putative

AlphaFold DB , UniProt , Accession A0A3Q0KIS4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 411 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
1M44.3Very low37.9Very low239 Ų239153.7 Ų153.7100%1.17781%0.812SS**  0111.20-78.4176.5174.700107.5
2G42.1Very low37.6Very low73 Ų73148.7 Ų148.775%0.75381%0.809SS**  trans-69.2129.2-179.300000110.9I4G2-I4 PolarHBondContact O-N 3.3Å; G2-I4 VanDerWaalsContact O-N 3.13Å
3V41.1Very low37.3Very low133 Ų133149.4 Ų149.481%0.80681%0.809SS**  trans-73.1101.8176.51790000107.9I5V3-I5 HydrophobicContact CG1-CG1 4.15Å; V3-I5 PolarHBondContact O-N 3.31Å
4I46.3Very low37.1Very low152 Ų152150.9 Ų150.978%0.77980%0.804SS**  trans-77.498.4172.4-61.4174.1000107.2G2 K6G2-I4 PolarHBondContact O-N 3.3Å; G2-I4 VanDerWaalsContact O-N 3.13Å; I4-K6 PolarHBondContact O-N 3.04Å; I4-K6 VanDerWaalsContact O-N 3.11Å
5I36.5Very low37Very low147 Ų147148.8 Ų148.875%0.75480%0.802SS**  trans-72.3101170.1-57.7176.3000106.7V3V3-I5 HydrophobicContact CG1-CG1 4.15Å; V3-I5 PolarHBondContact O-N 3.31Å
6K34Very low36.9Very low177 Ų177152.5 Ų152.577%0.7780%0.803SS**  trans-63.7126.6172.1-84.6-176.9175.1179.10108.8I4 I8I4-K6 PolarHBondContact O-N 3.04Å; I4-K6 VanDerWaalsContact O-N 3.11Å; K6-I8 PolarHBondContact O-N 3.19Å
7P36.7Very low36.6Very low110 Ų110152.9 Ų152.971%0.71480%0.8SS**  trans-63.7127.3175.824-30.2000109.3L9P7-L9 PolarHBondContact O-N 3.09Å
8I36.9Very low36.6Very low147 Ų147149.2 Ų149.275%0.75478%0.784SS**  trans-61.4106.8170.7-65.1168.6000106.1K6 F10K6-I8 PolarHBondContact O-N 3.19Å; I8-F10 PolarHBondContact O-N 2.95Å
9L32.9Very low36.3Very low150 Ų150151.7 Ų151.779%0.78578%0.783SS**  trans-61.1101171.4-123.189.2000106.9P7 Q11P7-L9 PolarHBondContact O-N 3.09Å; L9-Q11 VanDerWaalsContact C-N 3.29Å; L9-Q11 PolarHBondContact O-N 2.67Å
10F33.5Very low36.2Very low192 Ų192154.4 Ų154.484%0.84278%0.783SS**  trans-61.3101.9158.8-83.8-88.2000105.8I8 A12I8-F10 PolarHBondContact O-N 2.95Å; F10-A12 PolarHBondContact O-N 3.47Å
11Q32.5Very low36.3Very low171 Ų171152.3 Ų152.380%0.79978%0.78SS**  trans-54.3113.1167-82.2-179.9-19.900106.5L9 I13L9-Q11 VanDerWaalsContact C-N 3.29Å; L9-Q11 PolarHBondContact O-N 2.67Å; Q11-I13 PolarHBondContact O-N 3.37Å
12A34.3Very low36.2Very low93 Ų93147 Ų14777%0.76976%0.762SS**  trans-54.2104.8169.900000106.9F10 K14F10-A12 PolarHBondContact O-N 3.47Å; A12-K14 VanDerWaalsContact C-N 3.31Å; A12-K14 PolarHBondContact O-N 3.2Å
13I33.9Very low36.6Very low158 Ų158148.2 Ų148.281%0.8175%0.754SS**  trans-62.3101.5173.1-61.1173.2000104.6Q11Q11-I13 PolarHBondContact O-N 3.37Å
14K33.9Very low37.4Very low170 Ų170145.2 Ų145.274%0.73973%0.729SS**  trans-53.1133.3168.4-82.4-176.4174.9-179.70106.8A12 Y16A12-K14 VanDerWaalsContact C-N 3.31Å; A12-K14 PolarHBondContact O-N 3.2Å; K14-Y16 VanDerWaalsContact C-N 3.32Å; K14-Y16 PolarHBondContact O-N 2.81Å
15P35.4Very low38.5Very low120 Ų120142 Ų14278%0.77972%0.72SS**  trans-65.599.617926.9-31.3000107Q17P15-Q17 VanDerWaalsContact C-N 3.3Å; P15-Q17 PolarHBondContact O-N 3.48Å
16Y35.6Very low40.6Very low208 Ų208135.9 Ų135.982%0.81669%0.688SS**  trans-60.8106.2156.2-78.1-88000104.6K14 V18K14-Y16 VanDerWaalsContact C-N 3.32Å; K14-Y16 PolarHBondContact O-N 2.81Å; Y16-V18 PolarHBondContact O-N 3.46Å
17Q32.9Very low43Very low160 Ų160128.4 Ų128.475%0.74866%0.657SS**  trans-63.479.6158.4-82.5-178.8-27.500106.4P15 Y19P15-Q17 VanDerWaalsContact C-N 3.3Å; P15-Q17 PolarHBondContact O-N 3.48Å; Q17-Y19 VanDerWaalsContact C-N 3.32Å; Q17-Y19 PolarHBondContact O-N 3.49Å; Q17-Y19 VanDerWaalsContact O-N 3.08Å
18V35.5Very low45.5Very low85 Ų85125 Ų12552%0.51563%0.634SS.*  trans-69.1102.2162.2-179.40000104.1Y16 W20Y16-V18 PolarHBondContact O-N 3.46Å; V18-W20 HydrophobicContact CG1-CD2 4.27Å; V18-W20 HydrophobicContact CG1-CG 4.45Å; V18-W20 HydrophobicContact CG1-CZ2 4.38Å; V18-W20 PolarHBondContact O-N 3.08Å
19Y31Very low48Very low198 Ų198123.2 Ų123.278%0.77662%0.621SS**  trans-62.589.5165.5-82.9-91.2000107Q17Q17-Y19 VanDerWaalsContact C-N 3.32Å; Q17-Y19 PolarHBondContact O-N 3.49Å; Q17-Y19 VanDerWaalsContact O-N 3.08Å
20W35.3Very low51Low204 Ų204116.2 Ų116.277%0.77358%0.584SS**PPolyproline II helixtrans-61.5136.9163.1-69.8101.8000107.5V18 T22V18-W20 HydrophobicContact CG1-CD2 4.27Å; V18-W20 HydrophobicContact CG1-CG 4.45Å; V18-W20 HydrophobicContact CG1-CZ2 4.38Å; V18-W20 PolarHBondContact O-N 3.08Å; W20-T22 PolarHBondContact O-N 2.99Å
21P36.9Very low53.9Low112 Ų112107.7 Ų107.773%0.72755%0.547SS*.PPolyproline II helixtrans-52.6121.7172.4-1829.1000107.9T23P21-T23 PolarHBondContact O-N 2.76Å
22T43.8Very low57Low128 Ų12899.6 Ų99.679%0.78551%0.509SS*.SBendtrans-47.1127.7176.245.80000109.8W20W20-T22 PolarHBondContact O-N 2.99Å
23T50.5Low60Low98 Ų9895.1 Ų95.160%0.60147%0.472SS*.  trans95.599.518072.10000115.6P21 S25P21-T23 PolarHBondContact O-N 2.76Å; T23-S25 PolarHBondContact O-N 2.83Å
24Y57.1Low63.1Low70 Ų7088.2 Ų88.228%0.27544%0.437SS..  trans-62.6111.8158.9179.1-98000108F26 N27 Q276 H279Y24-F26 PolarHBondContact O-N 3.43Å; Y24-N27 WeakPolarHBondContact CE1-ND2 3.4Å; Y24-N27 PolarHBondContact OH-ND2 3.16Å; Y24-Q276 WeakPolarHBondContact CD2-O 3.42Å; Y24-H279 WeakPolarHBondContact O-CA 3.45Å; Y24-H279 WeakPolarHBondContact O-CB 3.25Å; Y24-H279 VanDerWaalsContact O-CG 3.3Å; Y24-H279 PolarHBondContact O-ND1 3.27Å
25S69.6Low66.1Low85 Ų8580.4 Ų80.459%0.59440%0.403SS*.  trans-65.3132.6176.656.40000109.9T23 N27T23-S25 PolarHBondContact O-N 2.83Å; S25-N27 PolarHBondContact O-N 2.71Å; S25-N27 VanDerWaalsContact O-N 3.13Å
26F80.8Confident69Low17 Ų1777.2 Ų77.28%0.07538%0.379CS..  trans-53.3125.3169.5-178-89.6000108.9Y24 T28 E53 G54 Y57 F58 F68Y24-F26 PolarHBondContact O-N 3.43Å; F26-T28 HydrophobicContact CE1-CG2 4.22Å; F26-E53 HydrophobicContact CD2-CB 3.8Å; F26-E53 HydrophobicContact CE2-CB 4.35Å; F26-G54 VanDerWaalsContact CE2-CA 3.44Å; F26-G54 VanDerWaalsContact CZ-CA 3.45Å; F26-Y57 HydrophobicContact CB-CD2 4.09Å; F26-Y57 HydrophobicContact CB-CG 4.22Å; F26-Y57 AromaticContact CD1-CD1 3.42Å; F26-Y57 HydrophobicContact CD1-CD1 3.42Å; F26-Y57 VanDerWaalsContact CD1-CD1 3.42Å; F26-Y57 HydrophobicContact CD1-CD2 4.02Å; F26-Y57 AromaticContact CD1-CE1 3.93Å; F26-Y57 HydrophobicContact CD1-CE1 3.93Å; F26-Y57 HydrophobicContact CD1-CE2 4.47Å; F26-Y57 AromaticContact CD1-CG 3.46Å; F26-Y57 HydrophobicContact CD1-CG 3.46Å; F26-Y57 VanDerWaalsContact CD1-CG 3.46Å; F26-Y57 AromaticContact CE1-CD1 3.73Å; F26-Y57 HydrophobicContact CE1-CD1 3.73Å; F26-Y57 HydrophobicContact CE1-CE1 4.3Å; F26-Y57 HydrophobicContact CE1-CG 4.15Å; F26-Y57 HydrophobicContact CG-CD1 4.45Å; F26-Y57 HydrophobicContact CG-CD2 4.43Å; F26-Y57 HydrophobicContact CG-CG 4.08Å; F26-F58 AromaticContact CE1-CE2 3.84Å; F26-F58 HydrophobicContact CE1-CE2 3.84Å; F26-F58 HydrophobicContact CE1-CZ 4.21Å; F26-F58 HydrophobicContact CZ-CE2 4.3Å; F26-F68 HydrophobicContact CE1-CZ 4.25Å; F26-F68 HydrophobicContact CZ-CE2 4.29Å; F26-F68 AromaticContact CZ-CZ 3.9Å; F26-F68 HydrophobicContact CZ-CZ 3.9Å
27N84.5Confident72Confident21 Ų2168 Ų6811%0.11235%0.345CS..  trans-117155.9174.764.278.1000110.2Y24 S25 F29 K70Y24-N27 WeakPolarHBondContact CE1-ND2 3.4Å; Y24-N27 PolarHBondContact OH-ND2 3.16Å; S25-N27 PolarHBondContact O-N 2.71Å; S25-N27 VanDerWaalsContact O-N 3.13Å; N27-F29 VanDerWaalsContact C-N 3.33Å; N27-F29 HydrophobicContact CB-CD2 3.64Å; N27-F29 HydrophobicContact CB-CE2 3.93Å; N27-F29 HydrophobicContact CB-CG 4.42Å; N27-F29 WeakPolarHBondContact OD1-CB 3.43Å; N27-F29 WeakPolarHBondContact OD1-CD2 3.3Å; N27-F29 PolarHBondContact OD1-N 2.76Å; N27-F29 VanDerWaalsContact OD1-N 3.16Å; N27-K70 PolarHBondContact O-NZ 3.13Å
28T88.4Confident75.1Confident38 Ų3863.2 Ų63.223%0.23332%0.323CS..  trans-97.522.5178.3620000111.7F26 Y57 F58 F68F26-T28 HydrophobicContact CE1-CG2 4.22Å; T28-Y57 HydrophobicContact CG2-CE1 4.17Å; T28-F58 HydrophobicContact CG2-CE1 4.3Å; T28-F58 HydrophobicContact CG2-CZ 3.61Å; T28-F68 HydrophobicContact CG2-CD1 4.27Å; T28-F68 HydrophobicContact CG2-CE1 4.1Å; T28-F68 WeakPolarHBondContact O-CB 3.42Å
29F90.4Very high78.1Confident110 Ų11060.4 Ų60.448%0.48231%0.305SS..  trans-74.9138.7175-59.5-56000109.7N27N27-F29 VanDerWaalsContact C-N 3.33Å; N27-F29 HydrophobicContact CB-CD2 3.64Å; N27-F29 HydrophobicContact CB-CE2 3.93Å; N27-F29 HydrophobicContact CB-CG 4.42Å; N27-F29 WeakPolarHBondContact OD1-CB 3.43Å; N27-F29 WeakPolarHBondContact OD1-CD2 3.3Å; N27-F29 PolarHBondContact OD1-N 2.76Å; N27-F29 VanDerWaalsContact OD1-N 3.16Å
30S94.9Very high81.3Confident2 Ų251 Ų511%0.01427%0.268CS..  trans-73.4133.2168.7-65.80000110F68 T69 D258 T261S30-F68 VanDerWaalsContact OG-CA 3.31Å; S30-F68 WeakPolarHBondContact OG-CA 3.2Å; S30-T69 CarbonylContact C-O 3.58Å; S30-T69 WeakPolarHBondContact CA-O 3.45Å; S30-T69 WeakPolarHBondContact CB-O 3.36Å; S30-T69 PolarHBondContact OG-N 3.4Å; S30-D258 WeakPolarHBondContact CB-OD2 3.28Å; S30-D258 PolarHBondContact OG-OD2 3.21Å; S30-T261 PolarHBondContact N-OG1 3.44Å
31Q94.6Very high84.3Confident14 Ų1442.4 Ų42.47%0.06524%0.236CC..EExtended strand (participates in β ladder)trans-154.8146.6-170.9-168.2173.42.200111.4F33 T69 K70 I71 M265 T267Q31-F33 HydrophobicContact CB-CE2 3.92Å; Q31-F33 HydrophobicContact CB-CZ 4.18Å; Q31-F33 HydrophobicContact CG-CD2 4.47Å; Q31-F33 HydrophobicContact CG-CE1 4.24Å; Q31-F33 HydrophobicContact CG-CE2 3.99Å; Q31-F33 HydrophobicContact CG-CZ 3.9Å; Q31-T69 PolarHBondContact N-O 3.31Å; Q31-K70 WeakPolarHBondContact O-CA 3.15Å; Q31-I71 PolarHBondContact O-N 2.99Å; Q31-M265 HydrophobicContact CG-CB 4.28Å; Q31-M265 VanDerWaalsContact CG-O 3.28Å; Q31-M265 WeakPolarHBondContact CG-O 3.34Å; Q31-T267 PolarHBondContact NE2-OG1 3.4Å
32I97.6Very high87.2Confident0 Ų039.2 Ų39.20%021%0.209CC..EExtended strand (participates in β ladder)trans-102.9123.6170.6-52.4-176.5000108.8I71 L73 L251 I254 M265 V266 T267I32-I71 CarbonylContact C-O 3.58Å; I32-I71 VanDerWaalsContact CA-O 3.32Å; I32-I71 WeakPolarHBondContact CA-O 3.36Å; I32-I71 HydrophobicContact CG1-CB 4.21Å; I32-I71 HydrophobicContact CG1-CD1 4.39Å; I32-I71 HydrophobicContact CG2-CB 4.42Å; I32-L73 HydrophobicContact CG2-CD1 3.97Å; I32-L73 HydrophobicContact CG2-CG 4.24Å; I32-L251 HydrophobicContact CD1-CD2 4.12Å; I32-L251 HydrophobicContact CD1-CG 4.09Å; I32-I254 HydrophobicContact CD1-CD1 4.46Å; I32-I254 HydrophobicContact CG1-CD1 4.04Å; I32-M265 PolarHBondContact N-O 2.6Å; I32-V266 HydrophobicContact CB-CG1 4.47Å; I32-V266 HydrophobicContact CB-CG2 4.36Å; I32-V266 CarbonylContact O-C 3.56Å; I32-V266 WeakPolarHBondContact O-CA 3.31Å; I32-T267 PolarHBondContact O-N 3.21Å
33F97.6Very high89.7Confident0 Ų033.3 Ų33.30%017%0.173CC..EExtended strand (participates in β ladder)trans-105.6135.9174.1-63.9-81000110.2Q31 L35 L50 K70 I71 L72 L73 T267 I269 F277Q31-F33 HydrophobicContact CB-CE2 3.92Å; Q31-F33 HydrophobicContact CB-CZ 4.18Å; Q31-F33 HydrophobicContact CG-CD2 4.47Å; Q31-F33 HydrophobicContact CG-CE1 4.24Å; Q31-F33 HydrophobicContact CG-CE2 3.99Å; Q31-F33 HydrophobicContact CG-CZ 3.9Å; F33-L35 HydrophobicContact CB-CD2 4.3Å; F33-L50 HydrophobicContact CD2-CD1 4.26Å; F33-L50 HydrophobicContact CE2-CD1 4.19Å; F33-K70 HydrophobicContact CD2-CB 4.42Å; F33-K70 HydrophobicContact CE2-CB 4.15Å; F33-K70 HydrophobicContact CE2-CD 4.01Å; F33-K70 HydrophobicContact CE2-CG 4.2Å; F33-I71 PolarHBondContact N-O 2.57Å; F33-L72 HydrophobicContact CB-CG 4.3Å; F33-L72 HydrophobicContact CD2-CD1 4.2Å; F33-L72 CarbonylContact O-C 3.56Å; F33-L72 WeakPolarHBondContact O-CA 3.41Å; F33-L73 PolarHBondContact O-N 2.93Å; F33-T267 CarbonylContact C-O 3.57Å; F33-T267 WeakPolarHBondContact CA-O 3.28Å; F33-I269 HydrophobicContact CD1-CD1 3.57Å; F33-I269 HydrophobicContact CD1-CG1 4.3Å; F33-I269 HydrophobicContact CE1-CD1 4.16Å; F33-I269 HydrophobicContact CG-CD1 4.42Å; F33-F277 HydrophobicContact CE1-CB 4.44Å; F33-F277 HydrophobicContact CE1-CD1 4.16Å; F33-F277 HydrophobicContact CE1-CG 4.46Å
34I98.3Very high92Very high13 Ų1329.4 Ų29.47%0.06715%0.148CC..EExtended strand (participates in β ladder)trans-115.2110.5172.1-53.9171.2000107.3N36 L73 I247 V266 T267 K268 I269I34-N36 WeakPolarHBondContact CG2-OD1 3.34Å; I34-L73 CarbonylContact C-O 3.44Å; I34-L73 WeakPolarHBondContact CA-O 3.22Å; I34-I247 HydrophobicContact CD1-CD1 3.69Å; I34-V266 HydrophobicContact CD1-CG1 3.8Å; I34-V266 HydrophobicContact CG1-CG1 4.32Å; I34-T267 PolarHBondContact N-O 3.34Å; I34-K268 HydrophobicContact CB-CG 4.15Å; I34-K268 HydrophobicContact CD1-CG 4.01Å; I34-K268 WeakPolarHBondContact O-CA 3.26Å; I34-I269 PolarHBondContact O-N 2.99Å
35L98.2Very high93.9Very high6 Ų626.4 Ų26.43%0.03114%0.137CC..EExtended strand (participates in β ladder)trans-90.8114.5-179-42.3-179.9000109.9F33 N43 F46 L72 L73 W74 I269F33-L35 HydrophobicContact CB-CD2 4.3Å; L35-N43 VanDerWaalsContact CB-OD1 3.22Å; L35-N43 WeakPolarHBondContact CB-OD1 3.35Å; L35-N43 HydrophobicContact CD1-CB 4.15Å; L35-F46 HydrophobicContact CD1-CB 4.04Å; L35-F46 HydrophobicContact CD1-CD1 3.78Å; L35-F46 HydrophobicContact CD1-CG 4.06Å; L35-F46 HydrophobicContact CD2-CD1 3.66Å; L35-F46 HydrophobicContact CD2-CD2 4.47Å; L35-F46 HydrophobicContact CD2-CE1 3.68Å; L35-F46 HydrophobicContact CD2-CG 4.09Å; L35-F46 HydrophobicContact CD2-CZ 4.19Å; L35-F46 HydrophobicContact CG-CD1 4.37Å; L35-L72 HydrophobicContact CD1-CD2 4.39Å; L35-L73 PolarHBondContact N-O 2.98Å; L35-W74 HydrophobicContact CB-CB 3.8Å; L35-W74 HydrophobicContact CD1-CB 4.12Å; L35-W74 HydrophobicContact CD1-CG 4.16Å; L35-W74 HydrophobicContact CG-CB 4.09Å; L35-I269 HydrophobicContact CD2-CB 4.15Å; L35-I269 HydrophobicContact CD2-CD1 3.94Å; L35-I269 HydrophobicContact CD2-CG1 4.39Å
36N96.6Very high95.2Very high52 Ų5222.4 Ų22.428%0.27811%0.109SC..  trans-98.38.1-173.9-814.6000114I34 H38 I269 F270I34-N36 WeakPolarHBondContact CG2-OD1 3.34Å; N36-H38 PolarHBondContact O-N 3.36Å; N36-I269 PolarHBondContact N-O 2.99Å; N36-F270 HydrophobicContact CB-CD1 4.12Å; N36-F270 HydrophobicContact CB-CE1 4.46Å
37S97Very high96Very high14 Ų1421.7 Ų21.710%0.09811%0.106CC..  trans-63.7-28-178.872.20000113.3D39 N43S37-D39 PolarHBondContact O-N 2.95Å; S37-D39 PolarHBondContact OG-N 3.44Å; S37-D39 VanDerWaalsContact OG-N 3.1Å; S37-N43 PolarHBondContact OG-ND2 3.4Å; S37-N43 PolarHBondContact OG-OD1 2.86Å
38H97.9Very high96.6Very high60 Ų6021.3 Ų21.328%0.27810%0.104SC..  trans53.116.8-167.2-55.7151.8000114.8N36 R75 N76 T77 L118N36-H38 PolarHBondContact O-N 3.36Å; H38-R75 VanDerWaalsContact CA-O 3.31Å; H38-R75 WeakPolarHBondContact CA-O 3.38Å; H38-N76 WeakPolarHBondContact O-CA 3.12Å; H38-T77 HydrophobicContact CB-CG2 4.27Å; H38-T77 PolarHBondContact O-N 3.36Å; H38-T77 PolarHBondContact O-OG1 2.85Å; H38-L118 HydrophobicContact CB-CD2 4.42Å
39D98.2Very high97Very high26 Ų2620 Ų2014%0.13910%0.096CC..  trans-107.2118.2179.4-168.2-27.4000110.5S37 Y41 R42 N43 K103S37-D39 PolarHBondContact O-N 2.95Å; S37-D39 PolarHBondContact OG-N 3.44Å; S37-D39 VanDerWaalsContact OG-N 3.1Å; D39-Y41 PolarHBondContact O-N 3.24Å; D39-Y41 PolarHBondContact OD1-N 3.03Å; D39-R42 HydrophobicContact CB-CB 4.13Å; D39-R42 HydrophobicContact CB-CG 3.89Å; D39-R42 PolarHBondContact O-N 2.95Å; D39-N43 WeakPolarHBondContact O-CB 3.23Å; D39-N43 PolarHBondContact O-N 3.15Å; D39-N43 PolarHBondContact O-ND2 3.41Å; D39-K103 IonicContact OD1-NZ 3.5Å; D39-K103 PolarHBondContact OD1-NZ 3.45Å; D39-K103 IonicContact OD2-NZ 2.8Å; D39-K103 PolarHBondContact OD2-NZ 2.81Å
40I98.4Very high97.2Very high0 Ų014.8 Ų14.80%07%0.073CC..Hα-helixtrans-54.9-39.1177.9-178.159.7000113L44 W74 N76 V81 K103 A105I40-L44 HydrophobicContact CD1-CD1 3.7Å; I40-L44 HydrophobicContact CD1-CD2 4.41Å; I40-L44 HydrophobicContact CD1-CG 3.71Å; I40-L44 HydrophobicContact CG1-CD1 3.95Å; I40-L44 HydrophobicContact CG1-CG 4.33Å; I40-L44 WeakPolarHBondContact O-CB 3.31Å; I40-L44 WeakPolarHBondContact O-CG 3.44Å; I40-L44 PolarHBondContact O-N 3.38Å; I40-W74 HydrophobicContact CD1-CH2 4.27Å; I40-W74 HydrophobicContact CD1-CZ3 3.94Å; I40-N76 WeakPolarHBondContact CA-ND2 3.11Å; I40-N76 HydrophobicContact CB-CB 4.42Å; I40-N76 WeakPolarHBondContact CB-ND2 3.47Å; I40-N76 WeakPolarHBondContact CD1-ND2 3.36Å; I40-N76 PolarHBondContact N-OD1 3.07Å; I40-V81 HydrophobicContact CD1-CG2 3.31Å; I40-V81 HydrophobicContact CG1-CG2 3.84Å; I40-K103 HydrophobicContact CG2-CB 3.73Å; I40-K103 HydrophobicContact CG2-CD 3.82Å; I40-K103 HydrophobicContact CG2-CG 4.42Å; I40-A105 HydrophobicContact CG1-CB 3.58Å; I40-A105 HydrophobicContact CG2-CB 4.27Å
41Y98.3Very high97.3Very high25 Ų2515.3 Ų15.310%0.0988%0.075CC..Hα-helixtrans-70.4-42.5-176.8-61.9-60.5000111.1D39 T45 K103 L104 A105 S291 Q292 I297D39-Y41 PolarHBondContact O-N 3.24Å; D39-Y41 PolarHBondContact OD1-N 3.03Å; Y41-T45 WeakPolarHBondContact O-CB 3.47Å; Y41-T45 PolarHBondContact O-N 3.21Å; Y41-T45 PolarHBondContact O-OG1 3.1Å; Y41-K103 HydrophobicContact CD2-CD 3.96Å; Y41-K103 HydrophobicContact CE2-CB 3.99Å; Y41-K103 HydrophobicContact CE2-CD 3.66Å; Y41-K103 HydrophobicContact CE2-CG 3.86Å; Y41-L104 WeakPolarHBondContact CE1-O 3.49Å; Y41-L104 PolarHBondContact OH-O 3.28Å; Y41-A105 HydrophobicContact CD1-CB 4.14Å; Y41-A105 HydrophobicContact CE1-CB 3.8Å; Y41-S291 WeakPolarHBondContact CD1-O 3.33Å; Y41-S291 WeakPolarHBondContact CE1-O 3.25Å; Y41-Q292 HydrophobicContact CD1-CG 3.82Å; Y41-Q292 HydrophobicContact CD2-CG 3.67Å; Y41-Q292 HydrophobicContact CE1-CG 4.12Å; Y41-Q292 HydrophobicContact CE2-CG 3.96Å; Y41-Q292 HydrophobicContact CG-CG 3.61Å; Y41-I297 HydrophobicContact CE1-CD1 4.3Å
42R97.7Very high97.3Very high44 Ų4420 Ų2017%0.1669%0.092CC..Hα-helixtrans-67.5-46.6177.9-57.1-172.284.9102.56111D39 T45 F46 E271 E274 F284 L288D39-R42 HydrophobicContact CB-CB 4.13Å; D39-R42 HydrophobicContact CB-CG 3.89Å; D39-R42 PolarHBondContact O-N 2.95Å; R42-T45 PolarHBondContact O-N 2.77Å; R42-F46 WeakPolarHBondContact O-CB 3.27Å; R42-F46 PolarHBondContact O-N 2.76Å; R42-E271 IonicContact CZ-OE1 2.95Å; R42-E271 IonicContact NE-OE1 2.66Å; R42-E271 IonicContact NH1-OE1 2.63Å; R42-E271 PolarHBondContact NH1-OE1 2.9Å; R42-E274 IonicContact CZ-OE1 2.88Å; R42-E274 IonicContact CZ-OE2 2.65Å; R42-E274 IonicContact NE-OE1 2.82Å; R42-E274 PolarHBondContact NE-OE1 2.8Å; R42-E274 IonicContact NE-OE2 3.52Å; R42-E274 IonicContact NH2-OE1 2.69Å; R42-E274 PolarHBondContact NH2-OE1 2.87Å; R42-E274 IonicContact NH2-OE2 2.79Å; R42-E274 PolarHBondContact NH2-OE2 3.4Å; R42-F284 HydrophobicContact CB-CZ 4.4Å; R42-L288 HydrophobicContact CG-CD1 3.82Å; R42-L288 HydrophobicContact CG-CD2 4.24Å
43N98.1Very high97.1Very high4 Ų420.5 Ų20.52%0.0219%0.094CC..Hα-helixtrans-63.9-45.3-178.3-70.4-20.7000112.4L35 S37 D39 T45 F46 E47 W74 R75 N76L35-N43 VanDerWaalsContact CB-OD1 3.22Å; L35-N43 WeakPolarHBondContact CB-OD1 3.35Å; L35-N43 HydrophobicContact CD1-CB 4.15Å; S37-N43 PolarHBondContact OG-ND2 3.4Å; S37-N43 PolarHBondContact OG-OD1 2.86Å; D39-N43 WeakPolarHBondContact O-CB 3.23Å; D39-N43 PolarHBondContact O-N 3.15Å; D39-N43 PolarHBondContact O-ND2 3.41Å; N43-T45 VanDerWaalsContact C-N 3.33Å; N43-T45 PolarHBondContact O-N 3.22Å; N43-F46 PolarHBondContact O-N 3.1Å; N43-E47 PolarHBondContact O-N 3Å; N43-E47 VanDerWaalsContact O-N 3.08Å; N43-W74 HydrophobicContact CB-CB 4.46Å; N43-W74 HydrophobicContact CB-CD2 3.78Å; N43-W74 HydrophobicContact CB-CE3 3.53Å; N43-W74 HydrophobicContact CB-CG 4.22Å; N43-W74 HydrophobicContact CB-CZ3 4.07Å; N43-R75 PolarHBondContact ND2-O 2.88Å; N43-N76 PolarHBondContact ND2-OD1 2.86Å
44L97.8Very high96.9Very high16 Ų1620.5 Ų20.58%0.0849%0.094CC..Hα-helixtrans-63.8-39174.2-75.4178.9000112.3I40 E48 W74 V81 A105 R107I40-L44 HydrophobicContact CD1-CD1 3.7Å; I40-L44 HydrophobicContact CD1-CD2 4.41Å; I40-L44 HydrophobicContact CD1-CG 3.71Å; I40-L44 HydrophobicContact CG1-CD1 3.95Å; I40-L44 HydrophobicContact CG1-CG 4.33Å; I40-L44 WeakPolarHBondContact O-CB 3.31Å; I40-L44 WeakPolarHBondContact O-CG 3.44Å; I40-L44 PolarHBondContact O-N 3.38Å; L44-E48 WeakPolarHBondContact O-CB 3.34Å; L44-E48 PolarHBondContact O-N 2.75Å; L44-W74 HydrophobicContact CD2-CH2 3.99Å; L44-W74 HydrophobicContact CD2-CZ2 4.39Å; L44-V81 HydrophobicContact CD1-CG1 4.15Å; L44-A105 HydrophobicContact CD1-CB 3.92Å; L44-R107 HydrophobicContact CD1-CB 4.29Å; L44-R107 HydrophobicContact CD2-CB 4Å
45T97.6Very high96.7Very high8 Ų821.5 Ų21.55%0.04910%0.098CC..Hα-helixtrans-65.8-41.7178.2-60.30000110.9Y41 R42 N43 E48 C49 F284 L288Y41-T45 WeakPolarHBondContact O-CB 3.47Å; Y41-T45 PolarHBondContact O-N 3.21Å; Y41-T45 PolarHBondContact O-OG1 3.1Å; R42-T45 PolarHBondContact O-N 2.77Å; N43-T45 VanDerWaalsContact C-N 3.33Å; N43-T45 PolarHBondContact O-N 3.22Å; T45-E48 PolarHBondContact O-N 3.12Å; T45-C49 WeakPolarHBondContact O-CB 3.46Å; T45-C49 PolarHBondContact O-N 2.78Å; T45-C49 PolarHBondContact O-SG 2.85Å; T45-F284 HydrophobicContact CG2-CD2 3.52Å; T45-F284 HydrophobicContact CG2-CE2 3.79Å; T45-F284 HydrophobicContact CG2-CG 4.16Å; T45-F284 WeakPolarHBondContact CG2-O 3.38Å; T45-L288 HydrophobicContact CG2-CB 4.22Å
46F97.3Very high96.4Very high1 Ų126.4 Ų26.40%0.00412%0.12CC..Hα-helixtrans-61.6-47.7177.7-170.4-84.9000111.6L35 R42 N43 E48 C49 L50 L72 I269 E274 F277 I278 F284L35-F46 HydrophobicContact CD1-CB 4.04Å; L35-F46 HydrophobicContact CD1-CD1 3.78Å; L35-F46 HydrophobicContact CD1-CG 4.06Å; L35-F46 HydrophobicContact CD2-CD1 3.66Å; L35-F46 HydrophobicContact CD2-CD2 4.47Å; L35-F46 HydrophobicContact CD2-CE1 3.68Å; L35-F46 HydrophobicContact CD2-CG 4.09Å; L35-F46 HydrophobicContact CD2-CZ 4.19Å; L35-F46 HydrophobicContact CG-CD1 4.37Å; R42-F46 WeakPolarHBondContact O-CB 3.27Å; R42-F46 PolarHBondContact O-N 2.76Å; N43-F46 PolarHBondContact O-N 3.1Å; F46-E48 PolarHBondContact O-N 3.07Å; F46-C49 PolarHBondContact O-N 3.14Å; F46-L50 HydrophobicContact CD1-CD1 3.95Å; F46-L50 HydrophobicContact CD1-CG 4.25Å; F46-L50 HydrophobicContact CE1-CD1 3.32Å; F46-L50 HydrophobicContact CE1-CG 3.83Å; F46-L50 HydrophobicContact CZ-CD1 4.04Å; F46-L50 HydrophobicContact CZ-CG 4.27Å; F46-L50 PolarHBondContact O-N 3.26Å; F46-L72 HydrophobicContact CD1-CD2 3.91Å; F46-L72 HydrophobicContact CE1-CD2 4.31Å; F46-I269 HydrophobicContact CE1-CD1 4.01Å; F46-I269 HydrophobicContact CE2-CD1 3.59Å; F46-I269 HydrophobicContact CZ-CD1 3.22Å; F46-E274 HydrophobicContact CD2-CB 4.06Å; F46-E274 HydrophobicContact CD2-CG 3.94Å; F46-E274 HydrophobicContact CE2-CB 4.34Å; F46-E274 HydrophobicContact CE2-CG 4.47Å; F46-F277 HydrophobicContact CE2-CB 4.2Å; F46-F277 HydrophobicContact CZ-CB 4.07Å; F46-I278 HydrophobicContact CD2-CD1 3.43Å; F46-I278 VanDerWaalsContact CD2-CD1 3.43Å; F46-I278 HydrophobicContact CD2-CG1 3.88Å; F46-I278 HydrophobicContact CE2-CD1 3.75Å; F46-I278 HydrophobicContact CE2-CG1 3.64Å; F46-I278 HydrophobicContact CG-CD1 4.17Å; F46-I278 HydrophobicContact CZ-CG1 4.35Å; F46-F284 HydrophobicContact CB-CE2 4.14Å; F46-F284 HydrophobicContact CD2-CE2 4.5Å
47E97.5Very high96.2Very high1 Ų128 Ų281%0.00512%0.123CC..Hα-helixtrans-55.7-50.8174.3178.4-173.6-100.300111.9N43 C49 L50 Y51 L72 S124 I126 Y195 H197N43-E47 PolarHBondContact O-N 3Å; N43-E47 VanDerWaalsContact O-N 3.08Å; E47-C49 VanDerWaalsContact C-N 3.32Å; E47-C49 PolarHBondContact O-N 2.93Å; E47-L50 PolarHBondContact O-N 3.29Å; E47-Y51 PolarHBondContact O-N 2.88Å; E47-L72 HydrophobicContact CB-CD2 3.96Å; E47-L72 HydrophobicContact CG-CD2 4.38Å; E47-S124 WeakPolarHBondContact OE1-CB 3.43Å; E47-S124 PolarHBondContact OE1-OG 3.05Å; E47-I126 HydrophobicContact CG-CD1 4.3Å; E47-Y195 HydrophobicContact CG-CD2 4.49Å; E47-Y195 HydrophobicContact CG-CE2 4.31Å; E47-Y195 WeakPolarHBondContact OE2-CE2 3.32Å; E47-Y195 PolarHBondContact OE2-OH 2.95Å; E47-H197 IonicContact OE1-ND1 2.9Å; E47-H197 PolarHBondContact OE1-ND1 3.21Å; E47-H197 IonicContact OE2-ND1 3.42Å
48E96.9Very high96Very high14 Ų1428 Ų287%0.06512%0.12CC..Hα-helixtrans-65.8-34.7-179.1179.570.5-172.100111.9L44 T45 F46 R52 S108 K188L44-E48 WeakPolarHBondContact O-CB 3.34Å; L44-E48 PolarHBondContact O-N 2.75Å; T45-E48 PolarHBondContact O-N 3.12Å; F46-E48 PolarHBondContact O-N 3.07Å; E48-R52 HydrophobicContact CG-CG 4.36Å; E48-R52 WeakPolarHBondContact O-CB 3.3Å; E48-R52 VanDerWaalsContact O-CG 3.27Å; E48-R52 WeakPolarHBondContact O-CG 3.4Å; E48-R52 PolarHBondContact O-N 2.94Å; E48-R52 IonicContact OE1-CZ 2.67Å; E48-R52 IonicContact OE1-NE 3.19Å; E48-R52 PolarHBondContact OE1-NE 2.92Å; E48-R52 IonicContact OE1-NH2 3.8Å; E48-R52 PolarHBondContact OE1-NH2 2.74Å; E48-S108 VanDerWaalsContact CD-OG 3.32Å; E48-S108 WeakPolarHBondContact OE2-CB 3.39Å; E48-S108 PolarHBondContact OE2-OG 3.36Å; E48-K188 IonicContact OE1-NZ 2.95Å; E48-K188 PolarHBondContact OE1-NZ 2.62Å; E48-K188 IonicContact OE2-NZ 3.79Å; E48-K188 PolarHBondContact OE2-NZ 2.79Å
49C95.7Very high95.6Very high9 Ų932.6 Ų32.66%0.06114%0.142CC..Hα-helixtrans-65.4-50.3176-71.40000111.3T45 F46 E47 Y51 R52 E53 I278T45-C49 WeakPolarHBondContact O-CB 3.46Å; T45-C49 PolarHBondContact O-N 2.78Å; T45-C49 PolarHBondContact O-SG 2.85Å; F46-C49 PolarHBondContact O-N 3.14Å; E47-C49 VanDerWaalsContact C-N 3.32Å; E47-C49 PolarHBondContact O-N 2.93Å; C49-Y51 VanDerWaalsContact C-N 3.26Å; C49-Y51 PolarHBondContact O-N 2.67Å; C49-R52 PolarHBondContact O-N 3.5Å; C49-R52 VanDerWaalsContact O-N 3.12Å; C49-E53 WeakPolarHBondContact O-CB 3.45Å; C49-E53 VanDerWaalsContact O-CG 3.3Å; C49-E53 WeakPolarHBondContact O-CG 3.48Å; C49-E53 PolarHBondContact O-N 2.98Å; C49-I278 HydrophobicContact CB-CD1 3.84Å; C49-I278 HydrophobicContact CB-CG1 4.36Å; C49-I278 HydrophobicContact CB-CG2 4.03Å
50L94.9Very high95.1Very high2 Ų235.7 Ų35.71%0.0117%0.166CC..Hα-helixtrans-57.2-41.7176.9-77.9-174000112.1F33 F46 E47 G54 K70 L72 I126F33-L50 HydrophobicContact CD2-CD1 4.26Å; F33-L50 HydrophobicContact CE2-CD1 4.19Å; F46-L50 HydrophobicContact CD1-CD1 3.95Å; F46-L50 HydrophobicContact CD1-CG 4.25Å; F46-L50 HydrophobicContact CE1-CD1 3.32Å; F46-L50 HydrophobicContact CE1-CG 3.83Å; F46-L50 HydrophobicContact CZ-CD1 4.04Å; F46-L50 HydrophobicContact CZ-CG 4.27Å; F46-L50 PolarHBondContact O-N 3.26Å; E47-L50 PolarHBondContact O-N 3.29Å; L50-G54 PolarHBondContact O-N 3.12Å; L50-K70 HydrophobicContact CD1-CD 4.41Å; L50-K70 HydrophobicContact CD2-CD 4.5Å; L50-L72 HydrophobicContact CD1-CD1 3.91Å; L50-L72 HydrophobicContact CD1-CD2 4.18Å; L50-L72 HydrophobicContact CD1-CG 4.34Å; L50-I126 HydrophobicContact CB-CD1 3.86Å; L50-I126 HydrophobicContact CD1-CD1 4.39Å
51Y96.3Very high94.3Very high13 Ų1339 Ų395%0.05118%0.183CC..Hα-helixtrans-62.6-48.6174.7164.3-100.9000112.4E47 C49 E53 G54 E55 K188 G190 M193 Y195E47-Y51 PolarHBondContact O-N 2.88Å; C49-Y51 VanDerWaalsContact C-N 3.26Å; C49-Y51 PolarHBondContact O-N 2.67Å; Y51-E53 PolarHBondContact O-N 3.08Å; Y51-G54 PolarHBondContact O-N 3.15Å; Y51-E55 HydrophobicContact CE1-CG 4.02Å; Y51-E55 HydrophobicContact CE2-CG 3.95Å; Y51-E55 PolarHBondContact O-N 3.34Å; Y51-K188 HydrophobicContact CE1-CD 3.96Å; Y51-K188 HydrophobicContact CE1-CG 4.47Å; Y51-G190 WeakPolarHBondContact OH-CA 3.35Å; Y51-G190 PolarHBondContact OH-N 2.95Å; Y51-M193 HydrophobicContact CD2-CB 3.88Å; Y51-M193 HydrophobicContact CE2-CB 3.82Å; Y51-Y195 HydrophobicContact CD1-CD1 4.35Å; Y51-Y195 HydrophobicContact CD1-CE1 4.16Å; Y51-Y195 AromaticContact CD2-CD1 3.6Å; Y51-Y195 HydrophobicContact CD2-CD1 3.6Å; Y51-Y195 HydrophobicContact CD2-CE1 4.21Å; Y51-Y195 HydrophobicContact CE2-CD1 4.19Å; Y51-Y195 AromaticContact CG-CD1 3.67Å; Y51-Y195 HydrophobicContact CG-CD1 3.67Å; Y51-Y195 AromaticContact CG-CE1 3.9Å; Y51-Y195 HydrophobicContact CG-CE1 3.9Å
52R95.2Very high93.2Very high111 Ų11148.2 Ų48.242%0.41922%0.224SC..Hα-helixtrans-67.2-35.5-178.3-77.6-177.3-175.9179.88.8113E48 C49 G54 E55 K56E48-R52 HydrophobicContact CG-CG 4.36Å; E48-R52 WeakPolarHBondContact O-CB 3.3Å; E48-R52 VanDerWaalsContact O-CG 3.27Å; E48-R52 WeakPolarHBondContact O-CG 3.4Å; E48-R52 PolarHBondContact O-N 2.94Å; E48-R52 IonicContact OE1-CZ 2.67Å; E48-R52 IonicContact OE1-NE 3.19Å; E48-R52 PolarHBondContact OE1-NE 2.92Å; E48-R52 IonicContact OE1-NH2 3.8Å; E48-R52 PolarHBondContact OE1-NH2 2.74Å; C49-R52 PolarHBondContact O-N 3.5Å; C49-R52 VanDerWaalsContact O-N 3.12Å; R52-G54 VanDerWaalsContact C-N 3.34Å; R52-E55 PolarHBondContact O-N 3.06Å; R52-K56 WeakPolarHBondContact O-CB 3.47Å; R52-K56 WeakPolarHBondContact O-CG 3.46Å; R52-K56 PolarHBondContact O-N 3.34Å
53E93.3Very high92.4Very high11 Ų1153.8 Ų53.85%0.05125%0.252CS..Hα-helixtrans-64.2-42.7176.1-73.2179.4171.900110.9F26 C49 Y51 K56 Y57 I278 H279 S280F26-E53 HydrophobicContact CD2-CB 3.8Å; F26-E53 HydrophobicContact CE2-CB 4.35Å; C49-E53 WeakPolarHBondContact O-CB 3.45Å; C49-E53 VanDerWaalsContact O-CG 3.3Å; C49-E53 WeakPolarHBondContact O-CG 3.48Å; C49-E53 PolarHBondContact O-N 2.98Å; Y51-E53 PolarHBondContact O-N 3.08Å; E53-K56 PolarHBondContact O-N 2.97Å; E53-Y57 VanDerWaalsContact O-CB 3.23Å; E53-Y57 WeakPolarHBondContact O-CB 3.01Å; E53-Y57 PolarHBondContact O-N 2.78Å; E53-I278 WeakPolarHBondContact OE1-CG2 3.18Å; E53-H279 VanDerWaalsContact CD-CB 3.47Å; E53-H279 VanDerWaalsContact CD-N 3.28Å; E53-H279 HydrophobicContact CG-CB 4.29Å; E53-H279 WeakPolarHBondContact OE1-CA 3.38Å; E53-H279 VanDerWaalsContact OE1-CB 3.28Å; E53-H279 WeakPolarHBondContact OE1-CB 3.46Å; E53-H279 PolarHBondContact OE1-N 3.39Å; E53-H279 PolarHBondContact OE2-N 3.05Å; E53-H279 VanDerWaalsContact OE2-N 3.14Å; E53-S280 PolarHBondContact OE1-N 3.36Å
54G93.5Very high91.8Very high0 Ų059.2 Ų59.20%028%0.275CS..Hα-helixtrans-62.4-44172.200000112.7F26 L50 Y51 R52 K56 Y57 F58F26-G54 VanDerWaalsContact CE2-CA 3.44Å; F26-G54 VanDerWaalsContact CZ-CA 3.45Å; L50-G54 PolarHBondContact O-N 3.12Å; Y51-G54 PolarHBondContact O-N 3.15Å; R52-G54 VanDerWaalsContact C-N 3.34Å; G54-K56 PolarHBondContact O-N 3.47Å; G54-Y57 PolarHBondContact O-N 2.93Å; G54-F58 VanDerWaalsContact O-CD2 3.25Å; G54-F58 WeakPolarHBondContact O-CD2 3.28Å; G54-F58 PolarHBondContact O-N 2.88Å
55E94Very high91.3Very high34 Ų3459.6 Ų59.616%0.15928%0.278CS..Hα-helixtrans-55.9-50.1175.6-80.2-70.782.800111.4Y51 R52 Q59 G190 S191 N192 M193Y51-E55 HydrophobicContact CE1-CG 4.02Å; Y51-E55 HydrophobicContact CE2-CG 3.95Å; Y51-E55 PolarHBondContact O-N 3.34Å; R52-E55 PolarHBondContact O-N 3.06Å; E55-Q59 VanDerWaalsContact O-CB 3.27Å; E55-Q59 WeakPolarHBondContact O-CB 3.38Å; E55-Q59 PolarHBondContact O-N 3.4Å; E55-G190 VanDerWaalsContact OE2-CA 3.28Å; E55-G190 WeakPolarHBondContact OE2-CA 3.45Å; E55-S191 PolarHBondContact OE2-N 3Å; E55-N192 PolarHBondContact O-ND2 2.8Å; E55-N192 VanDerWaalsContact OE1-CA 3.3Å; E55-N192 WeakPolarHBondContact OE1-CA 3.19Å; E55-N192 WeakPolarHBondContact OE1-CB 3Å; E55-N192 PolarHBondContact OE1-N 3.03Å; E55-M193 HydrophobicContact CG-CB 4.08Å; E55-M193 HydrophobicContact CG-CG 4.35Å; E55-M193 WeakPolarHBondContact OE1-CB 3.46Å; E55-M193 PolarHBondContact OE1-N 3.33Å
56K92.6Very high91Very high110 Ų11062.3 Ų62.348%0.47830%0.298SS..Hα-helixtrans-64.6-45.3-179.9-72.1174.9-179.1-177.60111.7R52 E53 G54 Q59 S60 D283R52-K56 WeakPolarHBondContact O-CB 3.47Å; R52-K56 WeakPolarHBondContact O-CG 3.46Å; R52-K56 PolarHBondContact O-N 3.34Å; E53-K56 PolarHBondContact O-N 2.97Å; G54-K56 PolarHBondContact O-N 3.47Å; K56-Q59 PolarHBondContact O-N 3.03Å; K56-S60 PolarHBondContact O-N 3.34Å; K56-D283 IonicContact NZ-OD2 3.63Å; K56-D283 PolarHBondContact NZ-OD2 3.35Å
57Y91.6Very high90.9Very high86 Ų8663.8 Ų63.834%0.33730%0.304SS..Hα-helixtrans-58.7-52.1-179.8-179.6-102.7000111F26 T28 E53 G54 Q59 S60 L61F26-Y57 HydrophobicContact CB-CD2 4.09Å; F26-Y57 HydrophobicContact CB-CG 4.22Å; F26-Y57 AromaticContact CD1-CD1 3.42Å; F26-Y57 HydrophobicContact CD1-CD1 3.42Å; F26-Y57 VanDerWaalsContact CD1-CD1 3.42Å; F26-Y57 HydrophobicContact CD1-CD2 4.02Å; F26-Y57 AromaticContact CD1-CE1 3.93Å; F26-Y57 HydrophobicContact CD1-CE1 3.93Å; F26-Y57 HydrophobicContact CD1-CE2 4.47Å; F26-Y57 AromaticContact CD1-CG 3.46Å; F26-Y57 HydrophobicContact CD1-CG 3.46Å; F26-Y57 VanDerWaalsContact CD1-CG 3.46Å; F26-Y57 AromaticContact CE1-CD1 3.73Å; F26-Y57 HydrophobicContact CE1-CD1 3.73Å; F26-Y57 HydrophobicContact CE1-CE1 4.3Å; F26-Y57 HydrophobicContact CE1-CG 4.15Å; F26-Y57 HydrophobicContact CG-CD1 4.45Å; F26-Y57 HydrophobicContact CG-CD2 4.43Å; F26-Y57 HydrophobicContact CG-CG 4.08Å; T28-Y57 HydrophobicContact CG2-CE1 4.17Å; E53-Y57 VanDerWaalsContact O-CB 3.23Å; E53-Y57 WeakPolarHBondContact O-CB 3.01Å; E53-Y57 PolarHBondContact O-N 2.78Å; G54-Y57 PolarHBondContact O-N 2.93Å; Y57-Q59 PolarHBondContact O-N 2.82Å; Y57-S60 PolarHBondContact O-N 2.65Å; Y57-S60 PolarHBondContact O-OG 3.09Å; Y57-L61 HydrophobicContact CD1-CD1 3.84Å; Y57-L61 HydrophobicContact CE1-CD1 3.27Å; Y57-L61 HydrophobicContact CE2-CD1 4.2Å; Y57-L61 VanDerWaalsContact CZ-CD1 3.48Å; Y57-L61 PolarHBondContact O-N 2.82Å
58F92.3Very high90.8Very high12 Ų1263.8 Ų63.85%0.05330%0.304CS..Hα-helixtrans-78.8-15.1-179.4-67.6-60.8000114.6F26 T28 G54 S60 L61 P65 F68 N192 M193F26-F58 AromaticContact CE1-CE2 3.84Å; F26-F58 HydrophobicContact CE1-CE2 3.84Å; F26-F58 HydrophobicContact CE1-CZ 4.21Å; F26-F58 HydrophobicContact CZ-CE2 4.3Å; T28-F58 HydrophobicContact CG2-CE1 4.3Å; T28-F58 HydrophobicContact CG2-CZ 3.61Å; G54-F58 VanDerWaalsContact O-CD2 3.25Å; G54-F58 WeakPolarHBondContact O-CD2 3.28Å; G54-F58 PolarHBondContact O-N 2.88Å; F58-S60 PolarHBondContact O-N 3.09Å; F58-L61 HydrophobicContact CD1-CD1 4.04Å; F58-L61 HydrophobicContact CE1-CD1 4.16Å; F58-P65 HydrophobicContact CD1-CB 3.91Å; F58-P65 HydrophobicContact CD1-CG 4.38Å; F58-P65 HydrophobicContact CE1-CB 3.5Å; F58-P65 VanDerWaalsContact CE1-CB 3.5Å; F58-P65 HydrophobicContact CE1-CG 4.41Å; F58-P65 HydrophobicContact CE2-CB 4.16Å; F58-P65 HydrophobicContact CG-CB 4.43Å; F58-P65 HydrophobicContact CZ-CB 3.61Å; F58-F68 AromaticContact CE2-CE1 3.62Å; F58-F68 HydrophobicContact CE2-CE1 3.62Å; F58-F68 AromaticContact CE2-CZ 3.82Å; F58-F68 HydrophobicContact CE2-CZ 3.82Å; F58-F68 AromaticContact CZ-CE1 3.7Å; F58-F68 HydrophobicContact CZ-CE1 3.7Å; F58-F68 HydrophobicContact CZ-CZ 4.31Å; F58-N192 HydrophobicContact CB-CB 3.68Å; F58-M193 HydrophobicContact CD2-CG 4.42Å; F58-M193 HydrophobicContact CD2-SD 3.66Å; F58-M193 HydrophobicContact CE2-SD 3.8Å
59Q91Very high90.8Very high157 Ų15763.1 Ų63.173%0.73430%0.3SS*.Hα-helixtrans-66.9-31.2167.7-174.1176.41900111.4E55 K56 Y57 N192E55-Q59 VanDerWaalsContact O-CB 3.27Å; E55-Q59 WeakPolarHBondContact O-CB 3.38Å; E55-Q59 PolarHBondContact O-N 3.4Å; K56-Q59 PolarHBondContact O-N 3.03Å; Y57-Q59 PolarHBondContact O-N 2.82Å; Q59-N192 WeakPolarHBondContact CA-ND2 3.18Å; Q59-N192 PolarHBondContact N-ND2 2.81Å
60S86.2Confident90.8Very high91 Ų9162.8 Ų62.864%0.63630%0.298SS*.Hα-helixtrans-80.5-2617876.40000113.5K56 Y57 F58K56-S60 PolarHBondContact O-N 3.34Å; Y57-S60 PolarHBondContact O-N 2.65Å; Y57-S60 PolarHBondContact O-OG 3.09Å; F58-S60 PolarHBondContact O-N 3.09Å
61L82.9Confident91Very high69 Ų6962.7 Ų62.736%0.36130%0.297SS..  trans-92.5121.8178.4-65.1173.8000110.2Y57 F58 E63Y57-L61 HydrophobicContact CD1-CD1 3.84Å; Y57-L61 HydrophobicContact CE1-CD1 3.27Å; Y57-L61 HydrophobicContact CE2-CD1 4.2Å; Y57-L61 VanDerWaalsContact CZ-CD1 3.48Å; Y57-L61 PolarHBondContact O-N 2.82Å; F58-L61 HydrophobicContact CD1-CD1 4.04Å; F58-L61 HydrophobicContact CE1-CD1 4.16Å; L61-E63 PolarHBondContact O-N 2.92Å
62K75.3Confident91.1Very high219 Ų21962.1 Ų62.195%0.95230%0.295SS*.  trans-76.9-1.9175.8-67-176.6179.8178.60113.5
63E81.2Confident91.2Very high161 Ų16156.9 Ų56.975%0.75228%0.275SS*.SBendtrans-94.6148.9-176.8-66.6-179.2-179.800111.3L61L61-E63 PolarHBondContact O-N 2.92Å
64K83.9Confident91.5Very high118 Ų11856.6 Ų56.651%0.51327%0.274SS..PPolyproline II helixtrans-68.4126.9174.9-176.3-177.2175-174.80108.8Y130K64-Y130 VanDerWaalsContact CE-CE1 3.48Å; K64-Y130 PolarHBondContact NZ-OH 2.74Å
65P89.1Confident91.7Very high24 Ų2459 Ų5916%0.15628%0.283CS..PPolyproline II helixtrans-60.8145.5174.823.5-32.5000111.1F58 P128 Y131F58-P65 HydrophobicContact CD1-CB 3.91Å; F58-P65 HydrophobicContact CD1-CG 4.38Å; F58-P65 HydrophobicContact CE1-CB 3.5Å; F58-P65 VanDerWaalsContact CE1-CB 3.5Å; F58-P65 HydrophobicContact CE1-CG 4.41Å; F58-P65 HydrophobicContact CE2-CB 4.16Å; F58-P65 HydrophobicContact CG-CB 4.43Å; F58-P65 HydrophobicContact CZ-CB 3.61Å; P65-P128 HydrophobicContact CB-CB 4.09Å; P65-P128 HydrophobicContact CB-CG 3.94Å; P65-P128 HydrophobicContact CG-CB 3.6Å; P65-P128 HydrophobicContact CG-CG 4.02Å; P65-Y131 VanDerWaalsContact O-CE2 3.3Å; P65-Y131 WeakPolarHBondContact O-CE2 3.28Å
66S91.6Very high91.9Very high65 Ų6557.4 Ų57.446%0.45528%0.276SS..PPolyproline II helixtrans-68.5163.4162.7-60.20000111F68 I260S66-F68 PolarHBondContact O-N 3.36Å; S66-I260 WeakPolarHBondContact OG-CD1 3.19Å
67W93.8Very high92.2Very high33 Ų3355.3 Ų55.313%0.12527%0.272CS..PPolyproline II helixtrans-64.1132.6175.7-170102.8000110.4T69 Y131 W253 N257 D258W67-T69 HydrophobicContact CH2-CG2 3.44Å; W67-T69 VanDerWaalsContact CH2-CG2 3.44Å; W67-T69 HydrophobicContact CZ2-CG2 4.24Å; W67-T69 HydrophobicContact CZ3-CG2 3.88Å; W67-Y131 HydrophobicContact CB-CD1 4.41Å; W67-Y131 HydrophobicContact CB-CD2 4.13Å; W67-Y131 HydrophobicContact CB-CE1 4.34Å; W67-Y131 HydrophobicContact CB-CE2 4.11Å; W67-Y131 HydrophobicContact CB-CG 4.3Å; W67-Y131 AromaticContact CD1-CD1 3.6Å; W67-Y131 AromaticContact CD1-CG 3.49Å; W67-Y131 VanDerWaalsContact CD1-CG 3.49Å; W67-Y131 HydrophobicContact CG-CD1 4.41Å; W67-Y131 HydrophobicContact CG-CD2 4.4Å; W67-Y131 HydrophobicContact CG-CG 4.2Å; W67-W253 HydrophobicContact CH2-CH2 4.39Å; W67-W253 HydrophobicContact CH2-CZ3 4.32Å; W67-W253 HydrophobicContact CZ2-CH2 4.02Å; W67-W253 HydrophobicContact CZ2-CZ2 4.17Å; W67-W253 HydrophobicContact CZ2-CZ3 4.4Å; W67-N257 HydrophobicContact CD2-CB 4.06Å; W67-N257 HydrophobicContact CE3-CB 4.09Å; W67-N257 HydrophobicContact CH2-CB 3.6Å; W67-N257 HydrophobicContact CZ2-CB 3.53Å; W67-N257 HydrophobicContact CZ3-CB 3.91Å; W67-D258 HydrophobicContact CE3-CB 3.68Å; W67-D258 HydrophobicContact CZ3-CB 3.68Å
68F95.3Very high92.6Very high1 Ų152.8 Ų52.80%0.00427%0.267CS..  trans-15516316471.1-90.8000109.4F26 T28 S30 F58 S66 K70 P128 M193F26-F68 HydrophobicContact CE1-CZ 4.25Å; F26-F68 HydrophobicContact CZ-CE2 4.29Å; F26-F68 AromaticContact CZ-CZ 3.9Å; F26-F68 HydrophobicContact CZ-CZ 3.9Å; T28-F68 HydrophobicContact CG2-CD1 4.27Å; T28-F68 HydrophobicContact CG2-CE1 4.1Å; T28-F68 WeakPolarHBondContact O-CB 3.42Å; S30-F68 VanDerWaalsContact OG-CA 3.31Å; S30-F68 WeakPolarHBondContact OG-CA 3.2Å; F58-F68 AromaticContact CE2-CE1 3.62Å; F58-F68 HydrophobicContact CE2-CE1 3.62Å; F58-F68 AromaticContact CE2-CZ 3.82Å; F58-F68 HydrophobicContact CE2-CZ 3.82Å; F58-F68 AromaticContact CZ-CE1 3.7Å; F58-F68 HydrophobicContact CZ-CE1 3.7Å; F58-F68 HydrophobicContact CZ-CZ 4.31Å; S66-F68 PolarHBondContact O-N 3.36Å; F68-K70 HydrophobicContact CD2-CG 4.45Å; F68-K70 HydrophobicContact CE2-CG 4.46Å; F68-P128 HydrophobicContact CD1-CG 3.67Å; F68-P128 HydrophobicContact CE1-CG 3.35Å; F68-P128 HydrophobicContact CZ-CG 3.98Å; F68-P128 WeakPolarHBondContact O-CD 3.3Å; F68-M193 HydrophobicContact CE2-CE 3.96Å; F68-M193 HydrophobicContact CZ-CE 3.56Å; F68-M193 HydrophobicContact CZ-SD 4.06Å
69T96.6Very high92.9Very high0 Ų052.2 Ų52.20%026%0.264CS..  trans-141.4136.6174.5-168.10000112.2S30 Q31 W67 I71 I126 Q127 W253 I254S30-T69 CarbonylContact C-O 3.58Å; S30-T69 WeakPolarHBondContact CA-O 3.45Å; S30-T69 WeakPolarHBondContact CB-O 3.36Å; S30-T69 PolarHBondContact OG-N 3.4Å; Q31-T69 PolarHBondContact N-O 3.31Å; W67-T69 HydrophobicContact CH2-CG2 3.44Å; W67-T69 VanDerWaalsContact CH2-CG2 3.44Å; W67-T69 HydrophobicContact CZ2-CG2 4.24Å; W67-T69 HydrophobicContact CZ3-CG2 3.88Å; T69-I71 HydrophobicContact CG2-CG1 4.28Å; T69-I126 WeakPolarHBondContact CA-O 3.48Å; T69-Q127 WeakPolarHBondContact OG1-CG 3.44Å; T69-W253 HydrophobicContact CG2-CE3 4.34Å; T69-W253 HydrophobicContact CG2-CH2 4.47Å; T69-W253 HydrophobicContact CG2-CZ3 3.71Å; T69-I254 HydrophobicContact CG2-CD1 4.08Å; T69-I254 HydrophobicContact CG2-CG1 3.6Å
70K96.5Very high93.2Very high2 Ų244.8 Ų44.81%0.00923%0.23CC..EExtended strand (participates in β ladder)trans-106.8114.4167.2-59.1-174178.5-157.30107.9N27 Q31 F33 L50 F68 L72 I126N27-K70 PolarHBondContact O-NZ 3.13Å; Q31-K70 WeakPolarHBondContact O-CA 3.15Å; F33-K70 HydrophobicContact CD2-CB 4.42Å; F33-K70 HydrophobicContact CE2-CB 4.15Å; F33-K70 HydrophobicContact CE2-CD 4.01Å; F33-K70 HydrophobicContact CE2-CG 4.2Å; L50-K70 HydrophobicContact CD1-CD 4.41Å; L50-K70 HydrophobicContact CD2-CD 4.5Å; F68-K70 HydrophobicContact CD2-CG 4.45Å; F68-K70 HydrophobicContact CE2-CG 4.46Å; K70-L72 HydrophobicContact CB-CD1 4.18Å; K70-I126 HydrophobicContact CB-CB 4.29Å; K70-I126 PolarHBondContact N-O 3.01Å; K70-I126 PolarHBondContact O-N 2.96Å
71I98.3Very high93.8Very high0 Ų040.6 Ų40.60%020%0.2CC..EExtended strand (participates in β ladder)trans-96.7118.5176.9-55.7177.9000107.9Q31 I32 F33 T69 L73 I123 S124 F125 W253 I254Q31-I71 PolarHBondContact O-N 2.99Å; I32-I71 CarbonylContact C-O 3.58Å; I32-I71 VanDerWaalsContact CA-O 3.32Å; I32-I71 WeakPolarHBondContact CA-O 3.36Å; I32-I71 HydrophobicContact CG1-CB 4.21Å; I32-I71 HydrophobicContact CG1-CD1 4.39Å; I32-I71 HydrophobicContact CG2-CB 4.42Å; F33-I71 PolarHBondContact N-O 2.57Å; T69-I71 HydrophobicContact CG2-CG1 4.28Å; I71-L73 HydrophobicContact CG2-CD2 4.04Å; I71-L73 HydrophobicContact CG2-CG 4.42Å; I71-I123 HydrophobicContact CG2-CG2 4.28Å; I71-S124 CarbonylContact C-O 3.57Å; I71-S124 VanDerWaalsContact CA-O 3.24Å; I71-S124 WeakPolarHBondContact CA-O 3.47Å; I71-F125 HydrophobicContact CD1-CD1 4.25Å; I71-F125 HydrophobicContact CD1-CE1 4Å; I71-F125 HydrophobicContact CG1-CD1 3.91Å; I71-F125 HydrophobicContact CG1-CE1 4.09Å; I71-F125 HydrophobicContact CG2-CE1 4.42Å; I71-W253 HydrophobicContact CD1-CE3 4.12Å; I71-W253 HydrophobicContact CD1-CZ3 4.11Å; I71-I254 HydrophobicContact CD1-CD1 4.22Å
72L98.5Very high94.6Very high0 Ų037.3 Ų37.30%018%0.183CC..EExtended strand (participates in β ladder)trans-103.9129.9175.7-72.662.3000108.8F33 L35 F46 E47 L50 K70 I123 S124 I126F33-L72 HydrophobicContact CB-CG 4.3Å; F33-L72 HydrophobicContact CD2-CD1 4.2Å; F33-L72 CarbonylContact O-C 3.56Å; F33-L72 WeakPolarHBondContact O-CA 3.41Å; L35-L72 HydrophobicContact CD1-CD2 4.39Å; F46-L72 HydrophobicContact CD1-CD2 3.91Å; F46-L72 HydrophobicContact CE1-CD2 4.31Å; E47-L72 HydrophobicContact CB-CD2 3.96Å; E47-L72 HydrophobicContact CG-CD2 4.38Å; L50-L72 HydrophobicContact CD1-CD1 3.91Å; L50-L72 HydrophobicContact CD1-CD2 4.18Å; L50-L72 HydrophobicContact CD1-CG 4.34Å; K70-L72 HydrophobicContact CB-CD1 4.18Å; L72-I123 CarbonylContact O-C 3.54Å; L72-I123 VanDerWaalsContact O-CA 3.3Å; L72-I123 WeakPolarHBondContact O-CA 3.35Å; L72-S124 PolarHBondContact N-O 2.84Å; L72-S124 PolarHBondContact O-N 2.78Å; L72-I126 HydrophobicContact CD1-CD1 3.73Å; L72-I126 HydrophobicContact CD1-CG1 4.17Å; L72-I126 HydrophobicContact CD2-CD1 4.21Å
73L98.8Very high95.6Very high1 Ų126.9 Ų26.91%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-117.1121.5174.5-55.3179.6000108.6I32 F33 I34 L35 I71 L121 N122 I123 L243 I246 I247I32-L73 HydrophobicContact CG2-CD1 3.97Å; I32-L73 HydrophobicContact CG2-CG 4.24Å; F33-L73 PolarHBondContact O-N 2.93Å; I34-L73 CarbonylContact C-O 3.44Å; I34-L73 WeakPolarHBondContact CA-O 3.22Å; L35-L73 PolarHBondContact N-O 2.98Å; I71-L73 HydrophobicContact CG2-CD2 4.04Å; I71-L73 HydrophobicContact CG2-CG 4.42Å; L73-L121 HydrophobicContact CB-CD1 4.47Å; L73-N122 WeakPolarHBondContact CA-O 3.46Å; L73-I123 HydrophobicContact CD2-CB 4.25Å; L73-I123 HydrophobicContact CD2-CG1 3.89Å; L73-I123 HydrophobicContact CD2-CG2 3.85Å; L73-L243 HydrophobicContact CB-CD2 4.34Å; L73-L243 HydrophobicContact CD1-CD2 4.02Å; L73-I246 HydrophobicContact CD1-CG2 3.97Å; L73-I246 HydrophobicContact CD2-CG2 3.83Å; L73-I247 HydrophobicContact CD1-CG1 3.97Å
74W98.6Very high96.4Very high6 Ų624.5 Ų24.52%0.02312%0.122CC..EExtended strand (participates in β ladder)trans-154.8152-176.353.4-81.6000112.9L35 I40 N43 L44 N76 H116 N122 S124L35-W74 HydrophobicContact CB-CB 3.8Å; L35-W74 HydrophobicContact CD1-CB 4.12Å; L35-W74 HydrophobicContact CD1-CG 4.16Å; L35-W74 HydrophobicContact CG-CB 4.09Å; I40-W74 HydrophobicContact CD1-CH2 4.27Å; I40-W74 HydrophobicContact CD1-CZ3 3.94Å; N43-W74 HydrophobicContact CB-CB 4.46Å; N43-W74 HydrophobicContact CB-CD2 3.78Å; N43-W74 HydrophobicContact CB-CE3 3.53Å; N43-W74 HydrophobicContact CB-CG 4.22Å; N43-W74 HydrophobicContact CB-CZ3 4.07Å; L44-W74 HydrophobicContact CD2-CH2 3.99Å; L44-W74 HydrophobicContact CD2-CZ2 4.39Å; W74-N76 WeakPolarHBondContact CZ3-ND2 3.33Å; W74-H116 AromaticContact CZ3-CE1 3.9Å; W74-N122 HydrophobicContact CD2-CB 3.46Å; W74-N122 VanDerWaalsContact CD2-CB 3.46Å; W74-N122 HydrophobicContact CE3-CB 3.73Å; W74-N122 HydrophobicContact CG-CB 4.03Å; W74-N122 HydrophobicContact CH2-CB 3.81Å; W74-N122 HydrophobicContact CZ2-CB 3.55Å; W74-N122 HydrophobicContact CZ3-CB 3.88Å; W74-N122 VanDerWaalsContact CZ3-CG 3.49Å; W74-N122 VanDerWaalsContact CZ3-ND2 3.34Å; W74-N122 WeakPolarHBondContact CZ3-ND2 3.22Å; W74-N122 PolarHBondContact N-O 2.94Å; W74-N122 WeakPolarHBondContact O-CA 3.46Å; W74-N122 VanDerWaalsContact O-CB 3.31Å; W74-N122 WeakPolarHBondContact O-CB 3.21Å; W74-N122 PolarHBondContact O-N 2.86Å; W74-N122 PolarHBondContact O-ND2 3.02Å; W74-S124 PolarHBondContact NE1-OG 3.3Å
75R98.5Very high97Very high51 Ų5123.5 Ų23.519%0.19212%0.118CC..  trans-132.2160.6177.8-60.4-176.5-64.1158.5-3.9108H38 N43 L118 L121H38-R75 VanDerWaalsContact CA-O 3.31Å; H38-R75 WeakPolarHBondContact CA-O 3.38Å; N43-R75 PolarHBondContact ND2-O 2.88Å; R75-L118 HydrophobicContact CB-CD2 4.42Å; R75-L118 WeakPolarHBondContact CD-O 3.39Å; R75-L118 PolarHBondContact NH1-O 3.32Å; R75-L121 HydrophobicContact CG-CD1 3.87Å
76N98.5Very high97.4Very high0 Ų022.4 Ų22.40%011%0.11CC..  trans-130.3158.5177.1-56.5-37000111.2H38 I40 N43 W74 S79 H116 D117 L118H38-N76 WeakPolarHBondContact O-CA 3.12Å; I40-N76 WeakPolarHBondContact CA-ND2 3.11Å; I40-N76 HydrophobicContact CB-CB 4.42Å; I40-N76 WeakPolarHBondContact CB-ND2 3.47Å; I40-N76 WeakPolarHBondContact CD1-ND2 3.36Å; I40-N76 PolarHBondContact N-OD1 3.07Å; N43-N76 PolarHBondContact ND2-OD1 2.86Å; W74-N76 WeakPolarHBondContact CZ3-ND2 3.33Å; N76-S79 WeakPolarHBondContact CB-OG 3.3Å; N76-H116 HydrophobicContact CB-CB 4.36Å; N76-H116 PolarHBondContact ND2-ND1 2.95Å; N76-D117 CarbonylContact O-C 3.57Å; N76-D117 VanDerWaalsContact O-CA 3.28Å; N76-D117 WeakPolarHBondContact O-CA 3.33Å; N76-L118 PolarHBondContact O-N 3.22Å
77T98.5Very high97.7Very high66 Ų6619.4 Ų19.441%0.4059%0.089SC..SBendtrans-59.4165.3155.958.40000110.9H38 S79H38-T77 HydrophobicContact CB-CG2 4.27Å; H38-T77 PolarHBondContact O-N 3.36Å; H38-T77 PolarHBondContact O-OG1 2.85Å; T77-S79 WeakPolarHBondContact O-CB 2.95Å; T77-S79 PolarHBondContact O-N 2.84Å; T77-S79 PolarHBondContact O-OG 2.97Å
78S98.7Very high97.9Very high33 Ų3317.8 Ų17.823%0.2318%0.083CC..SBendtrans-44.1112.6-179.4-63.20000112.8Y115 H116S78-Y115 PolarHBondContact OG-OH 3.24Å; S78-H116 CarbonylContact C-O 2.87Å; S78-H116 WeakPolarHBondContact CA-O 3.42Å
79S98.7Very high98Very high0 Ų017.8 Ų17.80%08%0.083CC..EExtended strand (participates in β ladder)trans-155157.2-173.748.90000111.2N76 T77 K103 H116N76-S79 WeakPolarHBondContact CB-OG 3.3Å; T77-S79 WeakPolarHBondContact O-CB 2.95Å; T77-S79 PolarHBondContact O-N 2.84Å; T77-S79 PolarHBondContact O-OG 2.97Å; S79-K103 CarbonylContact C-O 3.52Å; S79-K103 VanDerWaalsContact CA-O 3.23Å; S79-K103 WeakPolarHBondContact CA-O 3.27Å; S79-K103 WeakPolarHBondContact CB-O 3.28Å; S79-H116 PolarHBondContact N-O 2.85Å; S79-H116 PolarHBondContact O-N 3.39Å
80I98.7Very high98.1Very high0 Ų020.1 Ų20.10%09%0.093CC..EExtended strand (participates in β ladder)trans-123130-177-56.178.4000107.7V92 I97 W102 K103 L104 A105 T113 V114 Y115 V212 L213I80-V92 HydrophobicContact CG2-CG1 3.55Å; I80-I97 HydrophobicContact CB-CD1 4.17Å; I80-I97 HydrophobicContact CD1-CD1 3.76Å; I80-I97 HydrophobicContact CD1-CG1 3.64Å; I80-I97 HydrophobicContact CD1-CG2 4.32Å; I80-I97 HydrophobicContact CG1-CD1 3.82Å; I80-I97 HydrophobicContact CG1-CG1 4.13Å; I80-W102 HydrophobicContact CD1-CB 3.74Å; I80-W102 HydrophobicContact CD1-CD2 4.5Å; I80-W102 HydrophobicContact CD1-CE3 4.04Å; I80-W102 HydrophobicContact CD1-CG 4.45Å; I80-K103 PolarHBondContact N-O 2.89Å; I80-L104 HydrophobicContact CB-CD1 3.95Å; I80-L104 HydrophobicContact CG2-CD1 4Å; I80-L104 WeakPolarHBondContact O-CA 3.49Å; I80-A105 PolarHBondContact O-N 3.41Å; I80-T113 HydrophobicContact CG2-CG2 3.56Å; I80-V114 WeakPolarHBondContact CA-O 3.4Å; I80-Y115 HydrophobicContact CG1-CD2 4.44Å; I80-V212 HydrophobicContact CD1-CG2 3.96Å; I80-V212 HydrophobicContact CG1-CG1 4.08Å; I80-V212 HydrophobicContact CG1-CG2 3.7Å; I80-L213 HydrophobicContact CG2-CD2 4.45Å
81V98.6Very high98.1Very high3 Ų320.6 Ų20.62%0.01810%0.096CC..EExtended strand (participates in β ladder)trans-120.3107-176.6-167.10000109.9I40 L44 A105 R107 T113 V114I40-V81 HydrophobicContact CD1-CG2 3.31Å; I40-V81 HydrophobicContact CG1-CG2 3.84Å; L44-V81 HydrophobicContact CD1-CG1 4.15Å; V81-A105 CarbonylContact C-O 3.42Å; V81-A105 WeakPolarHBondContact CA-O 3.35Å; V81-R107 HydrophobicContact CG1-CB 3.89Å; V81-R107 HydrophobicContact CG1-CG 4.04Å; V81-R107 PolarHBondContact O-NH1 2.65Å; V81-T113 WeakPolarHBondContact O-CA 3.09Å; V81-V114 HydrophobicContact CB-CG2 3.77Å; V81-V114 HydrophobicContact CG2-CG2 4.31Å; V81-V114 PolarHBondContact N-O 3.44Å; V81-V114 PolarHBondContact O-N 2.8Å
82I98.5Very high98.1Very high0 Ų020.6 Ų20.60%010%0.096CC..EExtended strand (participates in β ladder)trans-86145.3174.664.6-174.1000110.4P88 V92 L104 A105 R106 R107 T113I82-P88 HydrophobicContact CD1-CB 3.86Å; I82-P88 HydrophobicContact CD1-CG 4.26Å; I82-V92 HydrophobicContact CG2-CG1 4.15Å; I82-L104 HydrophobicContact CG2-CD1 3.97Å; I82-A105 WeakPolarHBondContact CG1-O 3.24Å; I82-A105 PolarHBondContact N-O 2.75Å; I82-R106 HydrophobicContact CD1-CB 4.26Å; I82-R106 HydrophobicContact CG1-CB 3.88Å; I82-R106 HydrophobicContact CG1-CG 4.15Å; I82-R106 WeakPolarHBondContact O-CA 3.32Å; I82-R107 PolarHBondContact O-N 3.46Å; I82-R107 VanDerWaalsContact O-N 3.07Å; I82-T113 HydrophobicContact CG2-CG2 3.71Å
83G97.9Very high98.1Very high0 Ų022.6 Ų22.60%011%0.106CC..  trans-69.5158.2173.900000112.9F85 Q86 R106G83-F85 PolarHBondContact O-N 2.89Å; G83-F85 VanDerWaalsContact O-N 3.1Å; G83-Q86 PolarHBondContact O-N 2.89Å; G83-Q86 VanDerWaalsContact O-N 3.11Å; G83-R106 PolarHBondContact O-NH1 2.91Å
84R96.7Very high98Very high111 Ų11123.2 Ų23.242%0.41911%0.109SC..THydrogen-bonded Turntrans-50.3-39.4-175.4-179.6174179.6179.10.8114.5R106 R107 S108 T109R84-R106 PolarHBondContact O-NH1 2.77Å; R84-R107 PolarHBondContact N-O 2.96Å; R84-S108 VanDerWaalsContact CD-O 3.27Å; R84-S108 WeakPolarHBondContact CD-O 3.15Å; R84-T109 WeakPolarHBondContact CB-O 3.12Å; R84-T109 PolarHBondContact N-O 2.94Å
85F96.6Very high97.8Very high98 Ų9825.9 Ų25.943%0.4313%0.129SC..THydrogen-bonded Turntrans-106.613.9-173.8-53.6-62000113.7G83 T225 P302G83-F85 PolarHBondContact O-N 2.89Å; G83-F85 VanDerWaalsContact O-N 3.1Å; F85-T225 PolarHBondContact O-N 2.88Å; F85-P302 WeakPolarHBondContact O-CG 3.26Å
86Q98Very high97.7Very high1 Ų125.5 Ų25.51%0.00513%0.13CC..  trans-89.7158.5179.2-56.5-159.9-85.800111.9G83 E91 R106 G111 T113 T225 S227G83-Q86 PolarHBondContact O-N 2.89Å; G83-Q86 VanDerWaalsContact O-N 3.11Å; Q86-E91 HydrophobicContact CB-CG 4.18Å; Q86-E91 PolarHBondContact NE2-OE1 3.05Å; Q86-E91 PolarHBondContact NE2-OE2 2.89Å; Q86-R106 PolarHBondContact O-NH1 3.31Å; Q86-R106 PolarHBondContact O-NH2 3.36Å; Q86-R106 VanDerWaalsContact O-NH2 3.15Å; Q86-G111 VanDerWaalsContact CD-O 3.24Å; Q86-G111 PolarHBondContact OE1-O 2.93Å; Q86-T113 PolarHBondContact OE1-OG1 3.12Å; Q86-T225 VanDerWaalsContact CG-O 3.3Å; Q86-T225 WeakPolarHBondContact CG-O 3.35Å; Q86-T225 PolarHBondContact NE2-O 3.24Å; Q86-S227 PolarHBondContact NE2-OG 3.42Å
87N98.1Very high97.7Very high1 Ų126 Ų261%0.00513%0.133CC..  trans-103.7116.5173.5-179.4-48.2000109W89 K90 E91 A224 F304N87-W89 VanDerWaalsContact C-N 3.28Å; N87-W89 PolarHBondContact O-N 2.87Å; N87-W89 VanDerWaalsContact OD1-CB 3.31Å; N87-W89 WeakPolarHBondContact OD1-CB 3.25Å; N87-W89 VanDerWaalsContact OD1-CE3 3.26Å; N87-W89 PolarHBondContact OD1-N 2.9Å; N87-K90 HydrophobicContact CB-CB 4.33Å; N87-K90 PolarHBondContact O-N 3.43Å; N87-K90 VanDerWaalsContact O-N 3.16Å; N87-K90 PolarHBondContact OD1-N 3.38Å; N87-E91 WeakPolarHBondContact O-CB 3.26Å; N87-E91 WeakPolarHBondContact O-CG 3.37Å; N87-E91 PolarHBondContact O-N 3.29Å; N87-A224 HydrophobicContact CB-CB 3.75Å; N87-F304 WeakPolarHBondContact ND2-CD1 3.2Å
88P97.7Very high97.6Very high0 Ų030.2 Ų30.20%015%0.148CC..Hα-helixtrans-61.4-36.5-174.923.4-30.5000112.4I82 K90 E91 V92 L104 Y298 S301I82-P88 HydrophobicContact CD1-CB 3.86Å; I82-P88 HydrophobicContact CD1-CG 4.26Å; P88-K90 PolarHBondContact O-N 3.07Å; P88-E91 PolarHBondContact O-N 3.42Å; P88-V92 HydrophobicContact CB-CG2 4.42Å; P88-V92 VanDerWaalsContact O-CG2 3.26Å; P88-V92 WeakPolarHBondContact O-CG2 3.38Å; P88-V92 PolarHBondContact O-N 3.43Å; P88-L104 HydrophobicContact CB-CD2 4.3Å; P88-Y298 HydrophobicContact CB-CD1 4.37Å; P88-Y298 HydrophobicContact CB-CE1 4.17Å; P88-Y298 HydrophobicContact CG-CD1 3.51Å; P88-Y298 HydrophobicContact CG-CE1 3.78Å; P88-S301 WeakPolarHBondContact CD-OG 3.13Å
89W97.6Very high97.5Very high0 Ų036.5 Ų36.50%017%0.171CC..Hα-helixtrans-64.7-24.3-179.7-60.3-66.7000113.5N87 L94 T216 F217 L220 Y298 F304 C368 F411N87-W89 VanDerWaalsContact C-N 3.28Å; N87-W89 PolarHBondContact O-N 2.87Å; N87-W89 VanDerWaalsContact OD1-CB 3.31Å; N87-W89 WeakPolarHBondContact OD1-CB 3.25Å; N87-W89 VanDerWaalsContact OD1-CE3 3.26Å; N87-W89 PolarHBondContact OD1-N 2.9Å; W89-L94 HydrophobicContact CG-CD1 4.39Å; W89-T216 WeakPolarHBondContact O-CB 3.06Å; W89-T216 PolarHBondContact O-N 2.7Å; W89-F217 HydrophobicContact CB-CD2 3.69Å; W89-F217 HydrophobicContact CB-CE2 4.07Å; W89-F217 AromaticContact CD1-CE2 3.81Å; W89-F217 HydrophobicContact CG-CD2 4.29Å; W89-F217 HydrophobicContact CG-CE2 4.17Å; W89-F217 PolarHBondContact O-N 3.01Å; W89-L220 HydrophobicContact CB-CD1 3.72Å; W89-Y298 AromaticContact CE2-CD1 3.92Å; W89-Y298 AromaticContact CH2-CD1 3.79Å; W89-Y298 HydrophobicContact CH2-CD1 3.79Å; W89-Y298 HydrophobicContact CH2-CG 4.39Å; W89-Y298 AromaticContact CZ2-CD1 3.41Å; W89-Y298 HydrophobicContact CZ2-CD1 3.41Å; W89-Y298 VanDerWaalsContact CZ2-CD1 3.41Å; W89-Y298 HydrophobicContact CZ2-CE1 4.08Å; W89-Y298 HydrophobicContact CZ2-CG 4.25Å; W89-F304 HydrophobicContact CD2-CZ 4.25Å; W89-F304 HydrophobicContact CE3-CD1 4.41Å; W89-F304 AromaticContact CE3-CE1 3.55Å; W89-F304 HydrophobicContact CE3-CE1 3.55Å; W89-F304 AromaticContact CE3-CZ 3.67Å; W89-F304 HydrophobicContact CE3-CZ 3.67Å; W89-F304 AromaticContact CZ3-CE1 3.55Å; W89-F304 HydrophobicContact CZ3-CE1 3.55Å; W89-F304 AromaticContact CZ3-CZ 3.96Å; W89-F304 HydrophobicContact CZ3-CZ 3.96Å; W89-C368 HydrophobicContact CH2-CB 4Å; W89-C368 HydrophobicContact CZ2-CB 3.56Å; W89-C368 WeakPolarHBondContact CZ2-O 3.23Å; W89-F411 AromaticContact CD1-CD1 3.43Å; W89-F411 VanDerWaalsContact CD1-CD1 3.43Å; W89-F411 AromaticContact CD1-CE1 3.95Å; W89-F411 HydrophobicContact CD2-CD1 4.26Å; W89-F411 HydrophobicContact CD2-CE1 4.26Å; W89-F411 AromaticContact CE2-CD1 3.85Å; W89-F411 HydrophobicContact CG-CD1 4.02Å; W89-F411 HydrophobicContact CG-CE1 4.09Å; W89-F411 AromaticContact NE1-CD1 3.3Å; W89-F411 VanDerWaalsContact NE1-CD1 3.3Å
90K97.3Very high97.4Very high49 Ų4939.5 Ų39.521%0.21319%0.188CC..Hα-helixtrans-91.3-14.4173.8-167.2176.8176.4-168.40113.5N87 P88 P215 L220 T222 D226N87-K90 HydrophobicContact CB-CB 4.33Å; N87-K90 PolarHBondContact O-N 3.43Å; N87-K90 VanDerWaalsContact O-N 3.16Å; N87-K90 PolarHBondContact OD1-N 3.38Å; P88-K90 PolarHBondContact O-N 3.07Å; K90-P215 VanDerWaalsContact O-CB 3.3Å; K90-P215 WeakPolarHBondContact O-CB 3.36Å; K90-L220 HydrophobicContact CB-CD1 4.44Å; K90-L220 HydrophobicContact CB-CD2 4.13Å; K90-L220 HydrophobicContact CD-CD2 4.18Å; K90-L220 HydrophobicContact CG-CD2 4.47Å; K90-T222 HydrophobicContact CD-CG2 3.64Å; K90-D226 WeakPolarHBondContact CD-OD1 3.44Å; K90-D226 WeakPolarHBondContact CE-OD1 3.32Å; K90-D226 IonicContact NZ-OD1 2.76Å; K90-D226 PolarHBondContact NZ-OD1 2.82Å; K90-D226 IonicContact NZ-OD2 3.58Å; K90-D226 PolarHBondContact NZ-OD2 3.48Å
91E97.8Very high97.4Very high13 Ų1348.5 Ų48.56%0.06123%0.226CC..Hα-helixtrans-111.3-27.4-166.5-73-71.314000113.5Q86 N87 P88 T113 L213 S227Q86-E91 HydrophobicContact CB-CG 4.18Å; Q86-E91 PolarHBondContact NE2-OE1 3.05Å; Q86-E91 PolarHBondContact NE2-OE2 2.89Å; N87-E91 WeakPolarHBondContact O-CB 3.26Å; N87-E91 WeakPolarHBondContact O-CG 3.37Å; N87-E91 PolarHBondContact O-N 3.29Å; P88-E91 PolarHBondContact O-N 3.42Å; E91-T113 WeakPolarHBondContact CB-OG1 3.48Å; E91-T113 PolarHBondContact OE2-OG1 2.87Å; E91-L213 CarbonylContact O-C 3.52Å; E91-L213 WeakPolarHBondContact O-CA 3.38Å; E91-S227 PolarHBondContact OE1-N 2.83Å; E91-S227 VanDerWaalsContact OE2-CB 3.25Å; E91-S227 WeakPolarHBondContact OE2-CB 3.18Å; E91-S227 PolarHBondContact OE2-OG 2.9Å
92V98.1Very high97.4Very high0 Ų049.9 Ų49.90%023%0.232CC..SBendtrans-137.1157.3-171.1-54.40000112.5I80 I82 P88 L94 I97 L104 T113 V212 K214 T216I80-V92 HydrophobicContact CG2-CG1 3.55Å; I82-V92 HydrophobicContact CG2-CG1 4.15Å; P88-V92 HydrophobicContact CB-CG2 4.42Å; P88-V92 VanDerWaalsContact O-CG2 3.26Å; P88-V92 WeakPolarHBondContact O-CG2 3.38Å; P88-V92 PolarHBondContact O-N 3.43Å; V92-L94 HydrophobicContact CG2-CD2 3.7Å; V92-L94 HydrophobicContact CG2-CG 4.12Å; V92-L94 PolarHBondContact O-N 3.16Å; V92-I97 HydrophobicContact CB-CD1 3.85Å; V92-I97 HydrophobicContact CG1-CD1 4.47Å; V92-I97 HydrophobicContact CG2-CD1 3.71Å; V92-L104 HydrophobicContact CG2-CD1 4.42Å; V92-T113 HydrophobicContact CG1-CG2 3.69Å; V92-V212 CarbonylContact C-O 3.44Å; V92-V212 VanDerWaalsContact CA-O 3.23Å; V92-V212 WeakPolarHBondContact CA-O 3.36Å; V92-K214 CarbonylContact C-O 3.43Å; V92-K214 WeakPolarHBondContact CA-O 3.26Å; V92-T216 PolarHBondContact O-N 2.89Å; V92-T216 PolarHBondContact O-OG1 3.12Å
93N97.8Very high97.4Very high41 Ų4152.9 Ų52.922%0.21925%0.245CC..  trans-90.493.5173.8-178.4-20.8000108.6S95 L96 I97 V212 K214N93-S95 VanDerWaalsContact C-N 3.31Å; N93-S95 PolarHBondContact O-N 2.82Å; N93-S95 PolarHBondContact OD1-N 2.69Å; N93-L96 HydrophobicContact CB-CB 4.04Å; N93-L96 PolarHBondContact O-N 2.84Å; N93-L96 PolarHBondContact OD1-N 2.95Å; N93-I97 WeakPolarHBondContact O-CG1 3.3Å; N93-I97 PolarHBondContact O-N 3.24Å; N93-I97 VanDerWaalsContact O-N 3.1Å; N93-V212 PolarHBondContact N-O 3.36Å; N93-K214 WeakPolarHBondContact CA-O 3.46Å; N93-K214 PolarHBondContact N-O 3.47Å
94L96.6Very high97.4Very high14 Ų1453.4 Ų53.47%0.07325%0.247CC..Hα-helixtrans-64.4-35.7-174.7-71176.4000112.5W89 V92 L96 I97 H98 L104 T216 Y298W89-L94 HydrophobicContact CG-CD1 4.39Å; V92-L94 HydrophobicContact CG2-CD2 3.7Å; V92-L94 HydrophobicContact CG2-CG 4.12Å; V92-L94 PolarHBondContact O-N 3.16Å; L94-L96 VanDerWaalsContact C-N 3.31Å; L94-L96 PolarHBondContact O-N 2.69Å; L94-I97 HydrophobicContact CD2-CD1 4.42Å; L94-I97 PolarHBondContact O-N 2.82Å; L94-H98 WeakPolarHBondContact O-CB 3.32Å; L94-H98 PolarHBondContact O-N 3.14Å; L94-L104 HydrophobicContact CD2-CD2 3.9Å; L94-T216 PolarHBondContact N-OG1 2.88Å; L94-Y298 HydrophobicContact CD1-CE1 4.43Å; L94-Y298 HydrophobicContact CD2-CE1 4.46Å
95S95.2Very high97.5Very high63 Ų6348.1 Ų48.144%0.44123%0.228SC..Hα-helixtrans-60.4-42.3176-51.10000111.5N93 H98 F99N93-S95 VanDerWaalsContact C-N 3.31Å; N93-S95 PolarHBondContact O-N 2.82Å; N93-S95 PolarHBondContact OD1-N 2.69Å; S95-H98 PolarHBondContact O-N 3.29Å; S95-F99 VanDerWaalsContact O-CB 3.27Å; S95-F99 WeakPolarHBondContact O-CB 3.32Å; S95-F99 PolarHBondContact O-N 3.48Å
96L97.3Very high97.6Very high42 Ų4243.7 Ų43.722%0.2221%0.208CC..Hα-helixtrans-68.6-40.3177.4-172.868.3000112.2N93 L94 F99 N100 W102 E211 V212N93-L96 HydrophobicContact CB-CB 4.04Å; N93-L96 PolarHBondContact O-N 2.84Å; N93-L96 PolarHBondContact OD1-N 2.95Å; L94-L96 VanDerWaalsContact C-N 3.31Å; L94-L96 PolarHBondContact O-N 2.69Å; L96-F99 PolarHBondContact O-N 3.23Å; L96-N100 WeakPolarHBondContact CD1-ND2 3.38Å; L96-N100 PolarHBondContact O-N 3.46Å; L96-N100 PolarHBondContact O-ND2 2.89Å; L96-W102 HydrophobicContact CD2-CZ3 4.06Å; L96-W102 HydrophobicContact CG-CZ3 4.07Å; L96-E211 HydrophobicContact CD2-CB 3.85Å; L96-V212 HydrophobicContact CD2-CB 4.15Å; L96-V212 HydrophobicContact CD2-CG2 4.4Å
97I97.6Very high97.6Very high10 Ų1044.2 Ų44.25%0.05121%0.21CC..Hα-helixtrans-59.7-48.2175.4-66.7177.6000110.1I80 V92 N93 L94 K101 W102 L104 V212I80-I97 HydrophobicContact CB-CD1 4.17Å; I80-I97 HydrophobicContact CD1-CD1 3.76Å; I80-I97 HydrophobicContact CD1-CG1 3.64Å; I80-I97 HydrophobicContact CD1-CG2 4.32Å; I80-I97 HydrophobicContact CG1-CD1 3.82Å; I80-I97 HydrophobicContact CG1-CG1 4.13Å; V92-I97 HydrophobicContact CB-CD1 3.85Å; V92-I97 HydrophobicContact CG1-CD1 4.47Å; V92-I97 HydrophobicContact CG2-CD1 3.71Å; N93-I97 WeakPolarHBondContact O-CG1 3.3Å; N93-I97 PolarHBondContact O-N 3.24Å; N93-I97 VanDerWaalsContact O-N 3.1Å; L94-I97 HydrophobicContact CD2-CD1 4.42Å; L94-I97 PolarHBondContact O-N 2.82Å; I97-K101 PolarHBondContact O-N 3.11Å; I97-W102 HydrophobicContact CG2-CB 4.21Å; I97-W102 VanDerWaalsContact CG2-O 3.24Å; I97-W102 WeakPolarHBondContact CG2-O 3.43Å; I97-W102 PolarHBondContact O-N 3.32Å; I97-L104 HydrophobicContact CD1-CD1 4.27Å; I97-V212 HydrophobicContact CD1-CG2 4.04Å; I97-V212 HydrophobicContact CG1-CG2 3.51Å
98H95.2Very high97.5Very high156 Ų15644.9 Ų44.972%0.72221%0.214SC*.Hα-helixtrans-63.2-48.8179.1-177.776.2000111.7L94 S95 N100 K101L94-H98 WeakPolarHBondContact O-CB 3.32Å; L94-H98 PolarHBondContact O-N 3.14Å; S95-H98 PolarHBondContact O-N 3.29Å; H98-N100 VanDerWaalsContact C-N 3.33Å; H98-N100 PolarHBondContact O-N 3.36Å; H98-K101 PolarHBondContact O-N 3Å
99F97Very high97.4Very high165 Ų16545 Ų4572%0.72422%0.215SC*.Hα-helixtrans-57.1-44.4-179.9179.7-96.7000112.5S95 L96 K101S95-F99 VanDerWaalsContact O-CB 3.27Å; S95-F99 WeakPolarHBondContact O-CB 3.32Å; S95-F99 PolarHBondContact O-N 3.48Å; L96-F99 PolarHBondContact O-N 3.23Å; F99-K101 VanDerWaalsContact C-N 3.31Å; F99-K101 PolarHBondContact O-N 3.31Å
100N97.9Very high97.3Very high63 Ų6346 Ų4634%0.33723%0.226SC..THydrogen-bonded Turntrans-84.9-0.6179.2-68.5-77.2000114L96 H98 W102L96-N100 WeakPolarHBondContact CD1-ND2 3.38Å; L96-N100 PolarHBondContact O-N 3.46Å; L96-N100 PolarHBondContact O-ND2 2.89Å; H98-N100 VanDerWaalsContact C-N 3.33Å; H98-N100 PolarHBondContact O-N 3.36Å; N100-W102 HydrophobicContact CB-CD2 3.6Å; N100-W102 HydrophobicContact CB-CE3 4.15Å; N100-W102 HydrophobicContact CB-CG 3.89Å; N100-W102 HydrophobicContact CB-CH2 4.33Å; N100-W102 HydrophobicContact CB-CZ2 3.8Å; N100-W102 HydrophobicContact CB-CZ3 4.49Å; N100-W102 PolarHBondContact O-N 3Å
101K97.5Very high97.2Very high188 Ų18845.2 Ų45.282%0.81723%0.231SC*.THydrogen-bonded Turntrans54.835.3-175.1-54.2178-179.4177.70112.9I97 H98 F99I97-K101 PolarHBondContact O-N 3.11Å; H98-K101 PolarHBondContact O-N 3Å; F99-K101 VanDerWaalsContact C-N 3.31Å; F99-K101 PolarHBondContact O-N 3.31Å
102W98.4Very high97.1Very high33 Ų3345.9 Ų45.913%0.12524%0.242CC..  trans-77.1151.2175.1-64.8-20.6000110.8I80 L96 I97 N100 Y115 N208 V212I80-W102 HydrophobicContact CD1-CB 3.74Å; I80-W102 HydrophobicContact CD1-CD2 4.5Å; I80-W102 HydrophobicContact CD1-CE3 4.04Å; I80-W102 HydrophobicContact CD1-CG 4.45Å; L96-W102 HydrophobicContact CD2-CZ3 4.06Å; L96-W102 HydrophobicContact CG-CZ3 4.07Å; I97-W102 HydrophobicContact CG2-CB 4.21Å; I97-W102 VanDerWaalsContact CG2-O 3.24Å; I97-W102 WeakPolarHBondContact CG2-O 3.43Å; I97-W102 PolarHBondContact O-N 3.32Å; N100-W102 HydrophobicContact CB-CD2 3.6Å; N100-W102 HydrophobicContact CB-CE3 4.15Å; N100-W102 HydrophobicContact CB-CG 3.89Å; N100-W102 HydrophobicContact CB-CH2 4.33Å; N100-W102 HydrophobicContact CB-CZ2 3.8Å; N100-W102 HydrophobicContact CB-CZ3 4.49Å; N100-W102 PolarHBondContact O-N 3Å; W102-Y115 HydrophobicContact CZ3-CE2 4.45Å; W102-N208 HydrophobicContact CH2-CB 3.77Å; W102-N208 HydrophobicContact CZ2-CB 4.3Å; W102-N208 WeakPolarHBondContact CZ2-ND2 3.38Å; W102-V212 HydrophobicContact CE3-CG2 3.93Å; W102-V212 HydrophobicContact CZ3-CB 3.99Å; W102-V212 HydrophobicContact CZ3-CG2 3.84Å
103K98.3Very high97.1Very high63 Ų6346.3 Ų46.327%0.27425%0.245SC..EExtended strand (participates in β ladder)trans-84.1135.3178.7-67.2175173.5177.50110.4D39 I40 Y41 S79 I80D39-K103 IonicContact OD1-NZ 3.5Å; D39-K103 PolarHBondContact OD1-NZ 3.45Å; D39-K103 IonicContact OD2-NZ 2.8Å; D39-K103 PolarHBondContact OD2-NZ 2.81Å; I40-K103 HydrophobicContact CG2-CB 3.73Å; I40-K103 HydrophobicContact CG2-CD 3.82Å; I40-K103 HydrophobicContact CG2-CG 4.42Å; Y41-K103 HydrophobicContact CD2-CD 3.96Å; Y41-K103 HydrophobicContact CE2-CB 3.99Å; Y41-K103 HydrophobicContact CE2-CD 3.66Å; Y41-K103 HydrophobicContact CE2-CG 3.86Å; S79-K103 CarbonylContact C-O 3.52Å; S79-K103 VanDerWaalsContact CA-O 3.23Å; S79-K103 WeakPolarHBondContact CA-O 3.27Å; S79-K103 WeakPolarHBondContact CB-O 3.28Å; I80-K103 PolarHBondContact N-O 2.89Å
104L98.4Very high97.1Very high10 Ų1045.8 Ų45.85%0.05224%0.243CC..EExtended strand (participates in β ladder)trans-105.9127.3168.2-179.765.9000109.2Y41 I80 I82 P88 V92 L94 I97 I297 Y298Y41-L104 WeakPolarHBondContact CE1-O 3.49Å; Y41-L104 PolarHBondContact OH-O 3.28Å; I80-L104 HydrophobicContact CB-CD1 3.95Å; I80-L104 HydrophobicContact CG2-CD1 4Å; I80-L104 WeakPolarHBondContact O-CA 3.49Å; I82-L104 HydrophobicContact CG2-CD1 3.97Å; P88-L104 HydrophobicContact CB-CD2 4.3Å; V92-L104 HydrophobicContact CG2-CD1 4.42Å; L94-L104 HydrophobicContact CD2-CD2 3.9Å; I97-L104 HydrophobicContact CD1-CD1 4.27Å; L104-I297 HydrophobicContact CD2-CG2 3.76Å; L104-I297 HydrophobicContact CG-CG2 3.83Å; L104-I297 VanDerWaalsContact O-CD1 3.31Å; L104-I297 WeakPolarHBondContact O-CD1 3.3Å; L104-Y298 HydrophobicContact CD2-CE1 4.21Å; L104-Y298 HydrophobicContact CD2-CE2 4.41Å; L104-Y298 WeakPolarHBondContact CD2-OH 3.22Å
105A98.5Very high97.2Very high1 Ų145.3 Ų45.31%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-130.9149.2179.700000111.2I40 Y41 L44 I80 V81 I82I40-A105 HydrophobicContact CG1-CB 3.58Å; I40-A105 HydrophobicContact CG2-CB 4.27Å; Y41-A105 HydrophobicContact CD1-CB 4.14Å; Y41-A105 HydrophobicContact CE1-CB 3.8Å; L44-A105 HydrophobicContact CD1-CB 3.92Å; I80-A105 PolarHBondContact O-N 3.41Å; V81-A105 CarbonylContact C-O 3.42Å; V81-A105 WeakPolarHBondContact CA-O 3.35Å; I82-A105 WeakPolarHBondContact CG1-O 3.24Å; I82-A105 PolarHBondContact N-O 2.75Å
106R98.4Very high97.3Very high4 Ų442.5 Ų42.52%0.01522%0.22CC..EExtended strand (participates in β ladder)trans-108126169.7-178.8177.8-62.1-89-2.6109.7I82 G83 R84 Q86 W296 I297 S301I82-R106 HydrophobicContact CD1-CB 4.26Å; I82-R106 HydrophobicContact CG1-CB 3.88Å; I82-R106 HydrophobicContact CG1-CG 4.15Å; I82-R106 WeakPolarHBondContact O-CA 3.32Å; G83-R106 PolarHBondContact O-NH1 2.91Å; R84-R106 PolarHBondContact O-NH1 2.77Å; Q86-R106 PolarHBondContact O-NH1 3.31Å; Q86-R106 PolarHBondContact O-NH2 3.36Å; Q86-R106 VanDerWaalsContact O-NH2 3.15Å; R106-W296 VanDerWaalsContact CD-O 3.31Å; R106-W296 WeakPolarHBondContact CD-O 3.44Å; R106-W296 PolarHBondContact NE-O 2.6Å; R106-W296 PolarHBondContact O-NE1 2.87Å; R106-I297 PolarHBondContact NE-O 2.88Å; R106-I297 PolarHBondContact NH2-O 2.96Å; R106-S301 PolarHBondContact NH2-OG 2.9Å
107R97.9Very high97.4Very high12 Ų1241.3 Ų41.35%0.04521%0.214CC..  trans-88157.1175.464.7-179.3-175.6-92.2-3.1112.2L44 V81 I82 R84 T109 G110 G111 G112L44-R107 HydrophobicContact CD1-CB 4.29Å; L44-R107 HydrophobicContact CD2-CB 4Å; V81-R107 HydrophobicContact CG1-CB 3.89Å; V81-R107 HydrophobicContact CG1-CG 4.04Å; V81-R107 PolarHBondContact O-NH1 2.65Å; I82-R107 PolarHBondContact O-N 3.46Å; I82-R107 VanDerWaalsContact O-N 3.07Å; R84-R107 PolarHBondContact N-O 2.96Å; R107-T109 WeakPolarHBondContact CD-OG1 3.33Å; R107-T109 PolarHBondContact NE-OG1 3.5Å; R107-T109 VanDerWaalsContact NE-OG1 3.1Å; R107-T109 PolarHBondContact O-N 3.47Å; R107-G110 PolarHBondContact NE-O 2.85Å; R107-G110 VanDerWaalsContact NE-O 3.14Å; R107-G110 PolarHBondContact NH2-O 3.23Å; R107-G111 PolarHBondContact NH2-O 2.8Å; R107-G111 VanDerWaalsContact NH2-O 3.12Å; R107-G112 VanDerWaalsContact CZ-O 3.27Å; R107-G112 PolarHBondContact NH1-O 2.84Å; R107-G112 PolarHBondContact NH2-O 3.28Å
108S96Very high97.5Very high15 Ų1544.6 Ų44.611%0.10523%0.231CC..SBendtrans-71.3-15178.8-67.20000114.5E48 R84E48-S108 VanDerWaalsContact CD-OG 3.32Å; E48-S108 WeakPolarHBondContact OE2-CB 3.39Å; E48-S108 PolarHBondContact OE2-OG 3.36Å; R84-S108 VanDerWaalsContact CD-O 3.27Å; R84-S108 WeakPolarHBondContact CD-O 3.15Å
109T97.2Very high97.6Very high2 Ų237.4 Ų37.41%0.01220%0.199CC..SBendtrans-94.7164.117867.60000112.4R84 R107 S186 K188 Y195 H197R84-T109 WeakPolarHBondContact CB-O 3.12Å; R84-T109 PolarHBondContact N-O 2.94Å; R107-T109 WeakPolarHBondContact CD-OG1 3.33Å; R107-T109 PolarHBondContact NE-OG1 3.5Å; R107-T109 VanDerWaalsContact NE-OG1 3.1Å; R107-T109 PolarHBondContact O-N 3.47Å; T109-S186 WeakPolarHBondContact CB-OG 3.36Å; T109-S186 PolarHBondContact OG1-OG 2.87Å; T109-K188 HydrophobicContact CG2-CB 3.86Å; T109-Y195 HydrophobicContact CG2-CD2 4.18Å; T109-Y195 HydrophobicContact CG2-CE1 4.34Å; T109-Y195 HydrophobicContact CG2-CE2 3.15Å; T109-Y195 WeakPolarHBondContact CG2-OH 3.45Å; T109-H197 PolarHBondContact OG1-NE2 3.21Å
110G94.6Very high97.7Very high22 Ų2229.6 Ų29.623%0.22717%0.165CC..  trans-74.4-159.3169.200000113.2R107 S186R107-G110 PolarHBondContact NE-O 2.85Å; R107-G110 VanDerWaalsContact NE-O 3.14Å; R107-G110 PolarHBondContact NH2-O 3.23Å; G110-S186 WeakPolarHBondContact O-CB 3.42Å; G110-S186 PolarHBondContact O-OG 3.3Å
111G94.5Very high97.7Very high32 Ų3226.6 Ų26.633%0.3315%0.149SC..SBendtrans92.3-179.9-179.900000113.6Q86 R107Q86-G111 VanDerWaalsContact CD-O 3.24Å; Q86-G111 PolarHBondContact OE1-O 2.93Å; R107-G111 PolarHBondContact NH2-O 2.8Å; R107-G111 VanDerWaalsContact NH2-O 3.12Å
112G96.3Very high97.8Very high27 Ų2718 Ų1828%0.27811%0.112SC..  trans-81.5171.3-176.100000115R107 S227R107-G112 VanDerWaalsContact CZ-O 3.27Å; R107-G112 PolarHBondContact NH1-O 2.84Å; R107-G112 PolarHBondContact NH2-O 3.28Å; G112-S227 WeakPolarHBondContact CA-OG 3.21Å
113T98.2Very high97.8Very high10 Ų1016.4 Ų16.46%0.06111%0.106CC..  trans-75.9140.4179.2-54.30000110I80 V81 I82 Q86 E91 V92 L213 S227I80-T113 HydrophobicContact CG2-CG2 3.56Å; V81-T113 WeakPolarHBondContact O-CA 3.09Å; I82-T113 HydrophobicContact CG2-CG2 3.71Å; Q86-T113 PolarHBondContact OE1-OG1 3.12Å; E91-T113 WeakPolarHBondContact CB-OG1 3.48Å; E91-T113 PolarHBondContact OE2-OG1 2.87Å; V92-T113 HydrophobicContact CG1-CG2 3.69Å; T113-L213 HydrophobicContact CG2-CD2 3.48Å; T113-L213 VanDerWaalsContact CG2-CD2 3.48Å; T113-S227 PolarHBondContact N-OG 2.93Å
114V98Very high97.8Very high30 Ų3013.4 Ų13.418%0.1829%0.093CC..EExtended strand (participates in β ladder)trans-128.7145.8178.3-650000110.6I80 V81 H116 T199I80-V114 WeakPolarHBondContact CA-O 3.4Å; V81-V114 HydrophobicContact CB-CG2 3.77Å; V81-V114 HydrophobicContact CG2-CG2 4.31Å; V81-V114 PolarHBondContact N-O 3.44Å; V81-V114 PolarHBondContact O-N 2.8Å; V114-H116 WeakPolarHBondContact CG2-NE2 3.36Å; V114-T199 HydrophobicContact CB-CG2 4.2Å; V114-T199 HydrophobicContact CG1-CG2 4.07Å; V114-T199 HydrophobicContact CG2-CG2 4.05Å
115Y98.4Very high97.8Very high4 Ų413 Ų132%0.0169%0.091CC..EExtended strand (participates in β ladder)trans-99.4133.4169.3167.4-96.7000109S78 I80 W102 D117 N208 L209 V212S78-Y115 PolarHBondContact OG-OH 3.24Å; I80-Y115 HydrophobicContact CG1-CD2 4.44Å; W102-Y115 HydrophobicContact CZ3-CE2 4.45Å; Y115-D117 HydrophobicContact CE1-CB 4.08Å; Y115-D117 VanDerWaalsContact CE1-OD2 3.27Å; Y115-D117 WeakPolarHBondContact CE1-OD2 3.29Å; Y115-D117 PolarHBondContact OH-OD2 3.02Å; Y115-D117 VanDerWaalsContact OH-OD2 3.12Å; Y115-N208 HydrophobicContact CE1-CB 4.12Å; Y115-N208 HydrophobicContact CE2-CB 4.06Å; Y115-N208 PolarHBondContact OH-ND2 3.05Å; Y115-L209 HydrophobicContact CD1-CB 3.74Å; Y115-L209 HydrophobicContact CD1-CD1 4.47Å; Y115-L209 HydrophobicContact CD1-CG 4.36Å; Y115-L209 HydrophobicContact CG-CB 4.14Å; Y115-V212 HydrophobicContact CD2-CG1 3.84Å; Y115-V212 HydrophobicContact CG-CG1 4.21Å
116H98.4Very high97.8Very high3 Ų313 Ų131%0.0149%0.09CC..EExtended strand (participates in β ladder)trans-114.9143.8175.3-65-170.1000109W74 N76 S78 S79 V114 N122W74-H116 AromaticContact CZ3-CE1 3.9Å; N76-H116 HydrophobicContact CB-CB 4.36Å; N76-H116 PolarHBondContact ND2-ND1 2.95Å; S78-H116 CarbonylContact C-O 2.87Å; S78-H116 WeakPolarHBondContact CA-O 3.42Å; S79-H116 PolarHBondContact N-O 2.85Å; S79-H116 PolarHBondContact O-N 3.39Å; V114-H116 WeakPolarHBondContact CG2-NE2 3.36Å; H116-N122 VanDerWaalsContact CE1-CG 3.47Å; H116-N122 PolarHBondContact CE1-ND2 2.92Å; H116-N122 VanDerWaalsContact CE1-ND2 3.28Å; H116-N122 PolarHBondContact CE1-OD1 2.96Å; H116-N122 PolarHBondContact ND1-ND2 2.52Å; H116-N122 PolarHBondContact NE2-OD1 3.43Å
117D98.6Very high97.8Very high18 Ų1813 Ų1310%0.0969%0.091CC..  trans-142.6-166.7152.958.426.9000108N76 Y115 G119 N120 A204 N205N76-D117 CarbonylContact O-C 3.57Å; N76-D117 VanDerWaalsContact O-CA 3.28Å; N76-D117 WeakPolarHBondContact O-CA 3.33Å; Y115-D117 HydrophobicContact CE1-CB 4.08Å; Y115-D117 VanDerWaalsContact CE1-OD2 3.27Å; Y115-D117 WeakPolarHBondContact CE1-OD2 3.29Å; Y115-D117 PolarHBondContact OH-OD2 3.02Å; Y115-D117 VanDerWaalsContact OH-OD2 3.12Å; D117-G119 PolarHBondContact O-N 3.42Å; D117-G119 VanDerWaalsContact O-N 3.15Å; D117-G119 WeakPolarHBondContact OD1-CA 3.27Å; D117-G119 PolarHBondContact OD1-N 3.3Å; D117-N120 PolarHBondContact O-N 3.41Å; D117-N120 VanDerWaalsContact O-N 3.1Å; D117-A204 WeakPolarHBondContact OD1-CA 3.45Å; D117-A204 WeakPolarHBondContact OD1-CB 3.46Å; D117-N205 PolarHBondContact OD2-N 3.45Å
118L98.6Very high97.7Very high78 Ų7812.4 Ų12.441%0.4089%0.088SC..THydrogen-bonded Turntrans-67.7-11.2-179-66.5178.1000113.6H38 R75 N76 F202H38-L118 HydrophobicContact CB-CD2 4.42Å; R75-L118 HydrophobicContact CB-CD2 4.42Å; R75-L118 WeakPolarHBondContact CD-O 3.39Å; R75-L118 PolarHBondContact NH1-O 3.32Å; N76-L118 PolarHBondContact O-N 3.22Å; L118-F202 WeakPolarHBondContact O-CZ 3.29Å
119G98.6Very high97.8Very high6 Ų617 Ų176%0.06210%0.104CC..THydrogen-bonded Turntrans-90.56.4173.700000114.5D117 F202 D203 A204D117-G119 PolarHBondContact O-N 3.42Å; D117-G119 VanDerWaalsContact O-N 3.15Å; D117-G119 WeakPolarHBondContact OD1-CA 3.27Å; D117-G119 PolarHBondContact OD1-N 3.3Å; G119-F202 WeakPolarHBondContact O-CD1 3.45Å; G119-F202 WeakPolarHBondContact O-CE1 3.48Å; G119-F202 PolarHBondContact O-N 3.47Å; G119-D203 VanDerWaalsContact CA-C 3.5Å; G119-D203 WeakPolarHBondContact CA-O 3.25Å; G119-D203 PolarHBondContact O-N 3.08Å; G119-A204 PolarHBondContact O-N 3.02Å
120N98.7Very high97.7Very high0 Ų024.7 Ų24.70%013%0.134CC..EExtended strand (participates in β ladder)trans-119.7116.6174.7176.891.5000110.8D117 N122 T199 L200 L201 A204D117-N120 PolarHBondContact O-N 3.41Å; D117-N120 VanDerWaalsContact O-N 3.1Å; N120-N122 PolarHBondContact ND2-ND2 2.81Å; N120-T199 WeakPolarHBondContact OD1-CB 3.22Å; N120-L200 WeakPolarHBondContact CA-O 3.13Å; N120-L201 HydrophobicContact CB-CD2 4.38Å; N120-A204 HydrophobicContact CB-CB 4.46Å
121L98.8Very high97.8Very high1 Ų126.8 Ų26.81%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-91126.6176-179.863.6000110.8L73 R75 I123 T199 L200 F202 L242 L243 I246L73-L121 HydrophobicContact CB-CD1 4.47Å; R75-L121 HydrophobicContact CG-CD1 3.87Å; L121-I123 HydrophobicContact CD2-CD1 4.16Å; L121-I123 HydrophobicContact CD2-CG1 4.16Å; L121-I123 HydrophobicContact CG-CD1 4.45Å; L121-I123 HydrophobicContact CG-CG1 4.01Å; L121-T199 CarbonylContact O-C 3.57Å; L121-L200 HydrophobicContact CB-CB 4.39Å; L121-L200 PolarHBondContact N-O 2.9Å; L121-L200 PolarHBondContact O-N 3.45Å; L121-F202 HydrophobicContact CB-CD1 4.01Å; L121-F202 HydrophobicContact CB-CE1 4.04Å; L121-L242 HydrophobicContact CD2-CD2 3.91Å; L121-L242 HydrophobicContact CD2-CG 4.09Å; L121-L243 HydrophobicContact CD1-CD2 4.03Å; L121-L243 HydrophobicContact CD2-CD2 4.18Å; L121-I246 HydrophobicContact CD2-CD1 3.51Å
122N98.8Very high98Very high6 Ų626 Ų263%0.03212%0.123CC..EExtended strand (participates in β ladder)trans-96.6136.8170.1-61.6-82.9000109.7L73 W74 H116 N120 C198L73-N122 WeakPolarHBondContact CA-O 3.46Å; W74-N122 HydrophobicContact CD2-CB 3.46Å; W74-N122 VanDerWaalsContact CD2-CB 3.46Å; W74-N122 HydrophobicContact CE3-CB 3.73Å; W74-N122 HydrophobicContact CG-CB 4.03Å; W74-N122 HydrophobicContact CH2-CB 3.81Å; W74-N122 HydrophobicContact CZ2-CB 3.55Å; W74-N122 HydrophobicContact CZ3-CB 3.88Å; W74-N122 VanDerWaalsContact CZ3-CG 3.49Å; W74-N122 VanDerWaalsContact CZ3-ND2 3.34Å; W74-N122 WeakPolarHBondContact CZ3-ND2 3.22Å; W74-N122 PolarHBondContact N-O 2.94Å; W74-N122 WeakPolarHBondContact O-CA 3.46Å; W74-N122 VanDerWaalsContact O-CB 3.31Å; W74-N122 WeakPolarHBondContact O-CB 3.21Å; W74-N122 PolarHBondContact O-N 2.86Å; W74-N122 PolarHBondContact O-ND2 3.02Å; H116-N122 VanDerWaalsContact CE1-CG 3.47Å; H116-N122 PolarHBondContact CE1-ND2 2.92Å; H116-N122 VanDerWaalsContact CE1-ND2 3.28Å; H116-N122 PolarHBondContact CE1-OD1 2.96Å; H116-N122 PolarHBondContact ND1-ND2 2.52Å; H116-N122 PolarHBondContact NE2-OD1 3.43Å; N120-N122 PolarHBondContact ND2-ND2 2.81Å; N122-C198 WeakPolarHBondContact CA-O 3.4Å
123I98.8Very high98Very high0 Ų027.6 Ų27.60%013%0.125CC..EExtended strand (participates in β ladder)trans-131.3124.9-178.4-51.5172.2000107.4I71 L72 L73 L121 F125 L141 H197 C198 L200 I246I71-I123 HydrophobicContact CG2-CG2 4.28Å; L72-I123 CarbonylContact O-C 3.54Å; L72-I123 VanDerWaalsContact O-CA 3.3Å; L72-I123 WeakPolarHBondContact O-CA 3.35Å; L73-I123 HydrophobicContact CD2-CB 4.25Å; L73-I123 HydrophobicContact CD2-CG1 3.89Å; L73-I123 HydrophobicContact CD2-CG2 3.85Å; L121-I123 HydrophobicContact CD2-CD1 4.16Å; L121-I123 HydrophobicContact CD2-CG1 4.16Å; L121-I123 HydrophobicContact CG-CD1 4.45Å; L121-I123 HydrophobicContact CG-CG1 4.01Å; I123-F125 HydrophobicContact CG2-CD2 4.5Å; I123-F125 HydrophobicContact CG2-CE2 3.73Å; I123-F125 HydrophobicContact CG2-CZ 3.8Å; I123-L141 HydrophobicContact CD1-CD1 4.07Å; I123-L141 HydrophobicContact CD1-CD2 3.61Å; I123-L141 HydrophobicContact CG2-CD2 4.35Å; I123-H197 CarbonylContact O-C 3.58Å; I123-H197 WeakPolarHBondContact O-CA 3.47Å; I123-C198 PolarHBondContact N-O 2.94Å; I123-C198 PolarHBondContact O-N 3.46Å; I123-L200 HydrophobicContact CD1-CD2 4.39Å; I123-I246 HydrophobicContact CD1-CD1 3.82Å
124S98.7Very high98Very high0 Ų030.9 Ų30.90%014%0.136CC..EExtended strand (participates in β ladder)trans-126.3132178.7-43.80000110.4E47 I71 L72 W74 H196 H197E47-S124 WeakPolarHBondContact OE1-CB 3.43Å; E47-S124 PolarHBondContact OE1-OG 3.05Å; I71-S124 CarbonylContact C-O 3.57Å; I71-S124 VanDerWaalsContact CA-O 3.24Å; I71-S124 WeakPolarHBondContact CA-O 3.47Å; L72-S124 PolarHBondContact N-O 2.84Å; L72-S124 PolarHBondContact O-N 2.78Å; W74-S124 PolarHBondContact NE1-OG 3.3Å; S124-H196 CarbonylContact C-O 3.6Å; S124-H196 WeakPolarHBondContact CA-O 3.46Å; S124-H197 WeakPolarHBondContact OG-CB 3.35Å
125F98.6Very high98Very high1 Ų132.4 Ų32.40%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-105.8117.1171.7-56.1-92.1000107.8I71 I123 M132 C137 F140 L141 Y195 H196 W253I71-F125 HydrophobicContact CD1-CD1 4.25Å; I71-F125 HydrophobicContact CD1-CE1 4Å; I71-F125 HydrophobicContact CG1-CD1 3.91Å; I71-F125 HydrophobicContact CG1-CE1 4.09Å; I71-F125 HydrophobicContact CG2-CE1 4.42Å; I123-F125 HydrophobicContact CG2-CD2 4.5Å; I123-F125 HydrophobicContact CG2-CE2 3.73Å; I123-F125 HydrophobicContact CG2-CZ 3.8Å; F125-M132 HydrophobicContact CB-CE 4.21Å; F125-M132 WeakPolarHBondContact O-CE 3.16Å; F125-C137 HydrophobicContact CD2-CB 3.73Å; F125-C137 HydrophobicContact CE2-CB 3.92Å; F125-C137 HydrophobicContact CG-CB 4.09Å; F125-C137 HydrophobicContact CZ-CB 4.43Å; F125-F140 AromaticContact CE1-CD1 3.7Å; F125-F140 HydrophobicContact CE1-CD1 3.7Å; F125-F140 AromaticContact CE1-CE1 3.89Å; F125-F140 HydrophobicContact CE1-CE1 3.89Å; F125-F140 AromaticContact CZ-CD1 3.57Å; F125-F140 HydrophobicContact CZ-CD1 3.57Å; F125-F140 AromaticContact CZ-CE1 3.84Å; F125-F140 HydrophobicContact CZ-CE1 3.84Å; F125-L141 HydrophobicContact CE2-CD1 4.15Å; F125-L141 HydrophobicContact CE2-CG 4.37Å; F125-L141 HydrophobicContact CZ-CD1 4.37Å; F125-L141 HydrophobicContact CZ-CD2 4.2Å; F125-L141 HydrophobicContact CZ-CG 4.11Å; F125-Y195 CarbonylContact O-C 3.51Å; F125-Y195 WeakPolarHBondContact O-CA 3.35Å; F125-Y195 WeakPolarHBondContact O-CB 3.37Å; F125-H196 PolarHBondContact N-O 2.96Å; F125-H196 PolarHBondContact O-N 3.29Å; F125-W253 HydrophobicContact CD1-CH2 4.25Å; F125-W253 HydrophobicContact CD1-CZ3 4.02Å; F125-W253 HydrophobicContact CE1-CZ3 4.19Å
126I98.2Very high98Very high1 Ų136.4 Ų36.41%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-112.9117.5177.3-49.2-179.7000108.1E47 L50 T69 K70 L72 M193E47-I126 HydrophobicContact CG-CD1 4.3Å; L50-I126 HydrophobicContact CB-CD1 3.86Å; L50-I126 HydrophobicContact CD1-CD1 4.39Å; T69-I126 WeakPolarHBondContact CA-O 3.48Å; K70-I126 HydrophobicContact CB-CB 4.29Å; K70-I126 PolarHBondContact N-O 3.01Å; K70-I126 PolarHBondContact O-N 2.96Å; L72-I126 HydrophobicContact CD1-CD1 3.73Å; L72-I126 HydrophobicContact CD1-CG1 4.17Å; L72-I126 HydrophobicContact CD2-CD1 4.21Å; I126-M193 HydrophobicContact CG2-CE 4.01Å
127Q97.7Very high98Very high4 Ų436.3 Ų36.32%0.01916%0.16CC..EExtended strand (participates in β ladder)trans-140.4162.7-173.1-57.7176.4-59.800110.6T69 R129 M132 M193 A194T69-Q127 WeakPolarHBondContact OG1-CG 3.44Å; Q127-R129 PolarHBondContact O-N 2.73Å; Q127-M132 HydrophobicContact CB-CE 3.86Å; Q127-M132 HydrophobicContact CG-CE 3.84Å; Q127-M132 VanDerWaalsContact OE1-CE 3.24Å; Q127-M132 PolarHBondContact OE1-SD 2.78Å; Q127-M193 WeakPolarHBondContact O-CA 3.2Å; Q127-M193 WeakPolarHBondContact O-CE 3.21Å; Q127-A194 PolarHBondContact N-O 3.26Å; Q127-A194 PolarHBondContact O-N 2.99Å
128P96.8Very high98Very high0 Ų035.4 Ų35.40%016%0.155CC..EExtended strand (participates in β ladder)trans-54.4137.3163.4-22.132.3000111P65 F68 Y130 Y131 M132 N192 M193P65-P128 HydrophobicContact CB-CB 4.09Å; P65-P128 HydrophobicContact CB-CG 3.94Å; P65-P128 HydrophobicContact CG-CB 3.6Å; P65-P128 HydrophobicContact CG-CG 4.02Å; F68-P128 HydrophobicContact CD1-CG 3.67Å; F68-P128 HydrophobicContact CE1-CG 3.35Å; F68-P128 HydrophobicContact CZ-CG 3.98Å; F68-P128 WeakPolarHBondContact O-CD 3.3Å; P128-Y130 PolarHBondContact O-N 3.26Å; P128-Y130 VanDerWaalsContact O-N 3.09Å; P128-Y131 HydrophobicContact CB-CD2 3.9Å; P128-Y131 HydrophobicContact CG-CD2 4.06Å; P128-Y131 PolarHBondContact O-N 3.35Å; P128-M132 PolarHBondContact O-N 3.16Å; P128-M132 VanDerWaalsContact O-N 3.09Å; P128-N192 CarbonylContact C-O 3.54Å; P128-N192 WeakPolarHBondContact CA-O 3.43Å; P128-M193 HydrophobicContact CB-SD 4.45Å; P128-M193 HydrophobicContact CG-SD 4.47Å
129R97.1Very high98Very high113 Ų11335.9 Ų35.943%0.42616%0.155SC..THydrogen-bonded Turntrans-50.7-40.8-176.1-175.3-154168.977.36.9111.9Q127 Y131 M132 F189 G190 S191 N192 A194Q127-R129 PolarHBondContact O-N 2.73Å; R129-Y131 PolarHBondContact O-N 3.43Å; R129-M132 PolarHBondContact O-N 2.94Å; R129-F189 HydrophobicContact CG-CD1 4.07Å; R129-G190 VanDerWaalsContact CD-O 3.26Å; R129-G190 WeakPolarHBondContact CD-O 3.45Å; R129-G190 PolarHBondContact NH1-O 2.66Å; R129-S191 WeakPolarHBondContact CD-O 3.39Å; R129-N192 WeakPolarHBondContact CB-O 3.3Å; R129-N192 PolarHBondContact N-O 3.1Å; R129-A194 HydrophobicContact CB-CB 4.47Å
130Y95.2Very high98Very high163 Ų16336 Ų3664%0.63915%0.154SC*.THydrogen-bonded Turntrans-60.9-31.9-178.8-175.8-90.5000113K64 P128K64-Y130 VanDerWaalsContact CE-CE1 3.48Å; K64-Y130 PolarHBondContact NZ-OH 2.74Å; P128-Y130 PolarHBondContact O-N 3.26Å; P128-Y130 VanDerWaalsContact O-N 3.09Å
131Y96.7Very high98Very high65 Ų6536.1 Ų36.126%0.25516%0.155SC..THydrogen-bonded Turntrans-99.2-13.6-178.4-61.5-65.5000113.8P65 W67 P128 R129 N133P65-Y131 VanDerWaalsContact O-CE2 3.3Å; P65-Y131 WeakPolarHBondContact O-CE2 3.28Å; W67-Y131 HydrophobicContact CB-CD1 4.41Å; W67-Y131 HydrophobicContact CB-CD2 4.13Å; W67-Y131 HydrophobicContact CB-CE1 4.34Å; W67-Y131 HydrophobicContact CB-CE2 4.11Å; W67-Y131 HydrophobicContact CB-CG 4.3Å; W67-Y131 AromaticContact CD1-CD1 3.6Å; W67-Y131 AromaticContact CD1-CG 3.49Å; W67-Y131 VanDerWaalsContact CD1-CG 3.49Å; W67-Y131 HydrophobicContact CG-CD1 4.41Å; W67-Y131 HydrophobicContact CG-CD2 4.4Å; W67-Y131 HydrophobicContact CG-CG 4.2Å; P128-Y131 HydrophobicContact CB-CD2 3.9Å; P128-Y131 HydrophobicContact CG-CD2 4.06Å; P128-Y131 PolarHBondContact O-N 3.35Å; R129-Y131 PolarHBondContact O-N 3.43Å; Y131-N133 PolarHBondContact O-N 3.47Å
132M97.9Very high97.9Very high15 Ų1538.1 Ų38.17%0.07416%0.164CC..  trans-65.1107.1-179.4175.753.268.400111.4F125 Q127 P128 R129 F189 A194 H196F125-M132 HydrophobicContact CB-CE 4.21Å; F125-M132 WeakPolarHBondContact O-CE 3.16Å; Q127-M132 HydrophobicContact CB-CE 3.86Å; Q127-M132 HydrophobicContact CG-CE 3.84Å; Q127-M132 VanDerWaalsContact OE1-CE 3.24Å; Q127-M132 PolarHBondContact OE1-SD 2.78Å; P128-M132 PolarHBondContact O-N 3.16Å; P128-M132 VanDerWaalsContact O-N 3.09Å; R129-M132 PolarHBondContact O-N 2.94Å; M132-F189 HydrophobicContact CB-CE1 4.13Å; M132-F189 HydrophobicContact CB-CZ 4.32Å; M132-F189 HydrophobicContact CG-CE1 3.83Å; M132-F189 HydrophobicContact CG-CE2 4.3Å; M132-F189 HydrophobicContact CG-CZ 3.52Å; M132-A194 HydrophobicContact CB-CB 3.68Å; M132-A194 HydrophobicContact CG-CB 3.64Å; M132-H196 HydrophobicContact CE-CB 4.27Å; M132-H196 HydrophobicContact SD-CB 3.78Å
133N97.9Very high97.9Very high62 Ų6240.9 Ų40.933%0.33218%0.184SC..  trans-118.9109.2172.3-174-18.6000110Y131 Q135 Q136 C137Y131-N133 PolarHBondContact O-N 3.47Å; N133-Q135 VanDerWaalsContact C-N 3.28Å; N133-Q135 PolarHBondContact O-N 3.15Å; N133-Q135 WeakPolarHBondContact OD1-CB 3.3Å; N133-Q135 PolarHBondContact OD1-N 3.44Å; N133-Q136 HydrophobicContact CB-CB 4.09Å; N133-Q136 HydrophobicContact CB-CG 4.07Å; N133-Q136 PolarHBondContact O-N 3.21Å; N133-Q136 PolarHBondContact OD1-N 3.14Å; N133-C137 PolarHBondContact O-N 3.4Å; N133-C137 VanDerWaalsContact O-N 3.14Å; N133-C137 PolarHBondContact O-SG 3.36Å
134R98.1Very high97.8Very high78 Ų7841 Ų4129%0.29419%0.185SC..Hα-helixtrans-60.7-38-179.3-61.8-178.1-63-96.1-1.8112.2C137 M138 Y162 S187 F189 H196R134-C137 PolarHBondContact O-N 3.46Å; R134-M138 WeakPolarHBondContact O-CG 3.35Å; R134-M138 PolarHBondContact O-N 2.82Å; R134-M138 VanDerWaalsContact O-N 3.14Å; R134-Y162 HydrophobicContact CB-CD1 3.97Å; R134-Y162 HydrophobicContact CB-CD2 4.01Å; R134-Y162 HydrophobicContact CB-CE1 4.09Å; R134-Y162 HydrophobicContact CB-CE2 4.15Å; R134-Y162 HydrophobicContact CB-CG 3.91Å; R134-Y162 PolarHBondContact NH2-OH 3.09Å; R134-Y162 VanDerWaalsContact NH2-OH 3.15Å; R134-S187 WeakPolarHBondContact CD-OG 3.41Å; R134-F189 HydrophobicContact CG-CE2 4.29Å; R134-F189 HydrophobicContact CG-CZ 4.28Å; R134-H196 HydrophobicContact CG-CB 4.25Å
135Q98.2Very high97.8Very high62 Ų6241 Ų4129%0.2919%0.185SC..Hα-helixtrans-62.1-48179.3-178.46224.900110.5N133 C137 M138 E139 Y162N133-Q135 VanDerWaalsContact C-N 3.28Å; N133-Q135 PolarHBondContact O-N 3.15Å; N133-Q135 WeakPolarHBondContact OD1-CB 3.3Å; N133-Q135 PolarHBondContact OD1-N 3.44Å; Q135-C137 VanDerWaalsContact C-N 3.32Å; Q135-C137 PolarHBondContact O-N 2.89Å; Q135-M138 PolarHBondContact O-N 2.84Å; Q135-M138 VanDerWaalsContact O-N 3.09Å; Q135-E139 HydrophobicContact CG-CG 4.31Å; Q135-E139 VanDerWaalsContact CG-OE1 3.26Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.14Å; Q135-E139 PolarHBondContact NE2-OE1 3.34Å; Q135-E139 WeakPolarHBondContact O-CG 3.42Å; Q135-E139 PolarHBondContact O-N 3.13Å; Q135-Y162 HydrophobicContact CB-CD1 4.48Å; Q135-Y162 HydrophobicContact CB-CE1 4.12Å
136Q97.8Very high97.7Very high88 Ų8844.6 Ų44.641%0.41120%0.201SC..Hα-helixtrans-62.6-37.2178.3-72175.3-12.900112.7N133 M138 E139 F140N133-Q136 HydrophobicContact CB-CB 4.09Å; N133-Q136 HydrophobicContact CB-CG 4.07Å; N133-Q136 PolarHBondContact O-N 3.21Å; N133-Q136 PolarHBondContact OD1-N 3.14Å; Q136-M138 VanDerWaalsContact C-N 3.29Å; Q136-M138 PolarHBondContact O-N 3.15Å; Q136-E139 PolarHBondContact O-N 3.37Å; Q136-F140 WeakPolarHBondContact O-CB 3.08Å; Q136-F140 PolarHBondContact O-N 2.93Å
137C98.3Very high97.6Very high1 Ų148.2 Ų48.21%0.00723%0.225CC..Hα-helixtrans-61-40.6174.5-62.90000111.5F125 N133 R134 Q135 L141F125-C137 HydrophobicContact CD2-CB 3.73Å; F125-C137 HydrophobicContact CE2-CB 3.92Å; F125-C137 HydrophobicContact CG-CB 4.09Å; F125-C137 HydrophobicContact CZ-CB 4.43Å; N133-C137 PolarHBondContact O-N 3.4Å; N133-C137 VanDerWaalsContact O-N 3.14Å; N133-C137 PolarHBondContact O-SG 3.36Å; R134-C137 PolarHBondContact O-N 3.46Å; Q135-C137 VanDerWaalsContact C-N 3.32Å; Q135-C137 PolarHBondContact O-N 2.89Å; C137-L141 PolarHBondContact O-N 3.04Å
138M98.5Very high97.5Very high0 Ų049.6 Ų49.60%023%0.233CC..Hα-helixtrans-78.7-33.6179.6-60.1-41.6-66.200113R134 Q135 Q136 F140 L141 Q142 I158 Y162 L164 H196 C198R134-M138 WeakPolarHBondContact O-CG 3.35Å; R134-M138 PolarHBondContact O-N 2.82Å; R134-M138 VanDerWaalsContact O-N 3.14Å; Q135-M138 PolarHBondContact O-N 2.84Å; Q135-M138 VanDerWaalsContact O-N 3.09Å; Q136-M138 VanDerWaalsContact C-N 3.29Å; Q136-M138 PolarHBondContact O-N 3.15Å; M138-F140 VanDerWaalsContact C-N 3.33Å; M138-L141 HydrophobicContact CE-CD1 3.97Å; M138-L141 PolarHBondContact O-N 2.9Å; M138-L141 HydrophobicContact SD-CD1 4.21Å; M138-Q142 WeakPolarHBondContact O-CB 3.21Å; M138-Q142 PolarHBondContact O-N 3.1Å; M138-I158 HydrophobicContact CB-CD1 3.86Å; M138-I158 HydrophobicContact CB-CG1 4.13Å; M138-I158 HydrophobicContact CB-CG2 4.06Å; M138-Y162 WeakPolarHBondContact CE-O 3.38Å; M138-Y162 WeakPolarHBondContact CG-O 3.48Å; M138-L164 HydrophobicContact CB-CD2 4.34Å; M138-L164 HydrophobicContact CE-CD1 3.82Å; M138-L164 HydrophobicContact CE-CD2 3.68Å; M138-L164 HydrophobicContact CE-CG 3.44Å; M138-L164 VanDerWaalsContact CE-CG 3.44Å; M138-H196 PolarHBondContact SD-NE2 2.83Å; M138-C198 HydrophobicContact CE-CB 4.27Å
139E98.4Very high97.4Very high87 Ų8749.7 Ų49.741%0.40723%0.233SC..Hα-helixtrans-63.7-39.5171.8-74.4168.2171.900111.3Q135 Q136 Q142 S143 I158Q135-E139 HydrophobicContact CG-CG 4.31Å; Q135-E139 VanDerWaalsContact CG-OE1 3.26Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.14Å; Q135-E139 PolarHBondContact NE2-OE1 3.34Å; Q135-E139 WeakPolarHBondContact O-CG 3.42Å; Q135-E139 PolarHBondContact O-N 3.13Å; Q136-E139 PolarHBondContact O-N 3.37Å; E139-Q142 PolarHBondContact O-N 3.18Å; E139-S143 WeakPolarHBondContact O-CB 3.47Å; E139-S143 PolarHBondContact O-N 3.43Å; E139-S143 PolarHBondContact O-OG 3.28Å; E139-I158 HydrophobicContact CB-CD1 4.31Å; E139-I158 HydrophobicContact CG-CD1 3.59Å
140F98.2Very high97.2Very high10 Ų1050.3 Ų50.34%0.04424%0.244CC..Hα-helixtrans-55.3-55.3169.1162.5-102.9000110.5F125 Q136 M138 Q142 S143 V144 N249 W253F125-F140 AromaticContact CE1-CD1 3.7Å; F125-F140 HydrophobicContact CE1-CD1 3.7Å; F125-F140 AromaticContact CE1-CE1 3.89Å; F125-F140 HydrophobicContact CE1-CE1 3.89Å; F125-F140 AromaticContact CZ-CD1 3.57Å; F125-F140 HydrophobicContact CZ-CD1 3.57Å; F125-F140 AromaticContact CZ-CE1 3.84Å; F125-F140 HydrophobicContact CZ-CE1 3.84Å; Q136-F140 WeakPolarHBondContact O-CB 3.08Å; Q136-F140 PolarHBondContact O-N 2.93Å; M138-F140 VanDerWaalsContact C-N 3.33Å; F140-Q142 VanDerWaalsContact C-N 3.31Å; F140-Q142 PolarHBondContact O-N 3.02Å; F140-S143 PolarHBondContact O-N 3.05Å; F140-S143 VanDerWaalsContact O-N 3.16Å; F140-S143 PolarHBondContact O-OG 2.68Å; F140-V144 HydrophobicContact CD2-CG2 4.15Å; F140-V144 HydrophobicContact CE1-CG2 4.42Å; F140-V144 HydrophobicContact CE2-CG2 3.67Å; F140-V144 HydrophobicContact CZ-CG2 3.82Å; F140-V144 WeakPolarHBondContact O-CG2 3.4Å; F140-V144 PolarHBondContact O-N 3.48Å; F140-N249 HydrophobicContact CE2-CB 4.12Å; F140-W253 HydrophobicContact CD2-CB 3.93Å; F140-W253 HydrophobicContact CD2-CD2 4.28Å; F140-W253 AromaticContact CD2-CG 3.91Å; F140-W253 HydrophobicContact CD2-CG 3.91Å; F140-W253 HydrophobicContact CE2-CB 3.98Å; F140-W253 HydrophobicContact CE2-CG 4.39Å
141L98.5Very high97.1Very high1 Ų147.8 Ų47.81%0.00525%0.247CC..Hα-helixtrans-61.4-39.1179.6-68.3179.4000112.8I123 F125 C137 M138 V144 L145 L164 C198I123-L141 HydrophobicContact CD1-CD1 4.07Å; I123-L141 HydrophobicContact CD1-CD2 3.61Å; I123-L141 HydrophobicContact CG2-CD2 4.35Å; F125-L141 HydrophobicContact CE2-CD1 4.15Å; F125-L141 HydrophobicContact CE2-CG 4.37Å; F125-L141 HydrophobicContact CZ-CD1 4.37Å; F125-L141 HydrophobicContact CZ-CD2 4.2Å; F125-L141 HydrophobicContact CZ-CG 4.11Å; C137-L141 PolarHBondContact O-N 3.04Å; M138-L141 HydrophobicContact CE-CD1 3.97Å; M138-L141 PolarHBondContact O-N 2.9Å; M138-L141 HydrophobicContact SD-CD1 4.21Å; L141-V144 PolarHBondContact O-N 3.34Å; L141-L145 WeakPolarHBondContact O-CB 3.12Å; L141-L145 WeakPolarHBondContact O-CG 3.49Å; L141-L145 PolarHBondContact O-N 3.47Å; L141-L164 HydrophobicContact CB-CD1 4.1Å; L141-C198 WeakPolarHBondContact CD1-SG 3.04Å
142Q98.2Very high96.8Very high43 Ų4348.1 Ų48.120%0.20125%0.253CS..Hα-helixtrans-56.7-51.5173.7178.4177.818.200110.8M138 E139 F140 V144 L145 E146 I156 I158M138-Q142 WeakPolarHBondContact O-CB 3.21Å; M138-Q142 PolarHBondContact O-N 3.1Å; E139-Q142 PolarHBondContact O-N 3.18Å; F140-Q142 VanDerWaalsContact C-N 3.31Å; F140-Q142 PolarHBondContact O-N 3.02Å; Q142-V144 VanDerWaalsContact C-N 3.27Å; Q142-V144 PolarHBondContact O-N 3.45Å; Q142-L145 PolarHBondContact O-N 2.91Å; Q142-L145 VanDerWaalsContact O-N 3.15Å; Q142-E146 HydrophobicContact CG-CG 4.05Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.16Å; Q142-E146 PolarHBondContact NE2-OE1 3.03Å; Q142-E146 WeakPolarHBondContact O-CB 3.27Å; Q142-E146 WeakPolarHBondContact O-CG 3.18Å; Q142-E146 PolarHBondContact O-N 2.79Å; Q142-I156 HydrophobicContact CB-CG2 4.42Å; Q142-I156 HydrophobicContact CG-CB 4.17Å; Q142-I156 HydrophobicContact CG-CG2 4.08Å; Q142-I156 PolarHBondContact NE2-O 2.8Å; Q142-I156 VanDerWaalsContact NE2-O 3.1Å; Q142-I158 HydrophobicContact CB-CD1 4.4Å; Q142-I158 VanDerWaalsContact OE1-CD1 3.27Å
143S97.7Very high96.5Very high64 Ų6449.5 Ų49.545%0.44826%0.261SS..Hα-helixtrans-62.7-30.318072.40000113.9E139 F140 P147E139-S143 WeakPolarHBondContact O-CB 3.47Å; E139-S143 PolarHBondContact O-N 3.43Å; E139-S143 PolarHBondContact O-OG 3.28Å; F140-S143 PolarHBondContact O-N 3.05Å; F140-S143 VanDerWaalsContact O-N 3.16Å; F140-S143 PolarHBondContact O-OG 2.68Å; S143-P147 WeakPolarHBondContact O-CD 3.4Å
144V97.9Very high96.3Very high4 Ų448.1 Ų48.12%0.02425%0.251CS..Hα-helixtrans-73-40.8174.9174.30000111.3F140 L141 Q142 I246 N249F140-V144 HydrophobicContact CD2-CG2 4.15Å; F140-V144 HydrophobicContact CE1-CG2 4.42Å; F140-V144 HydrophobicContact CE2-CG2 3.67Å; F140-V144 HydrophobicContact CZ-CG2 3.82Å; F140-V144 WeakPolarHBondContact O-CG2 3.4Å; F140-V144 PolarHBondContact O-N 3.48Å; L141-V144 PolarHBondContact O-N 3.34Å; Q142-V144 VanDerWaalsContact C-N 3.27Å; Q142-V144 PolarHBondContact O-N 3.45Å; V144-I246 HydrophobicContact CG1-CG1 3.87Å; V144-N249 HydrophobicContact CG2-CB 3.49Å; V144-N249 VanDerWaalsContact CG2-CB 3.49Å
145L98.1Very high96.1Very high0 Ų046.6 Ų46.60%025%0.251CS..Hα-helixtrans-84.4-35.4-171.9-67.3174.6000112.8L141 Q142 L148 L149 I156 L164 I182 L200 L235 L242L141-L145 WeakPolarHBondContact O-CB 3.12Å; L141-L145 WeakPolarHBondContact O-CG 3.49Å; L141-L145 PolarHBondContact O-N 3.47Å; Q142-L145 PolarHBondContact O-N 2.91Å; Q142-L145 VanDerWaalsContact O-N 3.15Å; L145-L148 WeakPolarHBondContact O-CB 3.5Å; L145-L148 PolarHBondContact O-N 3.41Å; L145-L149 WeakPolarHBondContact O-CG 3.27Å; L145-L149 PolarHBondContact O-N 3.04Å; L145-L149 VanDerWaalsContact O-N 3.16Å; L145-I156 HydrophobicContact CB-CD1 3.2Å; L145-I156 HydrophobicContact CD1-CD1 4.19Å; L145-I156 HydrophobicContact CG-CD1 4.34Å; L145-L164 HydrophobicContact CD1-CD1 3.9Å; L145-I182 HydrophobicContact CD1-CD1 4.43Å; L145-L200 HydrophobicContact CD1-CD1 3.92Å; L145-L200 HydrophobicContact CD1-CD2 4.08Å; L145-L200 HydrophobicContact CD2-CD2 4Å; L145-L235 HydrophobicContact CD1-CD1 4.38Å; L145-L235 HydrophobicContact CD2-CD1 3.87Å; L145-L242 HydrophobicContact CD2-CD1 3.59Å
146E96.2Very high96Very high75 Ų7543.8 Ų43.835%0.3524%0.238SC..Hα-helixtrans-52-50.1-177.3-84.1-179.9179.200113.1Q142 L148 L149 I150 I156Q142-E146 HydrophobicContact CG-CG 4.05Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.16Å; Q142-E146 PolarHBondContact NE2-OE1 3.03Å; Q142-E146 WeakPolarHBondContact O-CB 3.27Å; Q142-E146 WeakPolarHBondContact O-CG 3.18Å; Q142-E146 PolarHBondContact O-N 2.79Å; E146-L148 PolarHBondContact O-N 3.37Å; E146-L149 PolarHBondContact O-N 2.76Å; E146-I150 PolarHBondContact O-N 3.39Å; E146-I150 VanDerWaalsContact O-N 3.16Å; E146-I156 HydrophobicContact CG-CB 4.13Å; E146-I156 HydrophobicContact CG-CD1 4.07Å; E146-I156 HydrophobicContact CG-CG1 4.14Å
147P96.2Very high95.9Very high78 Ų7843.4 Ų43.451%0.50624%0.236SC..Hα-helixtrans-59.1-33.3177.5-24.835.1000113.9S143 L149S143-P147 WeakPolarHBondContact O-CD 3.4Å; P147-L149 VanDerWaalsContact C-N 3.28Å; P147-L149 PolarHBondContact O-N 3.43Å
148L96.6Very high95.9Very high33 Ų3345 Ų4517%0.17324%0.244CC..Hα-helixtrans-72.8-23.4178.7-56.7178.9000112.3L145 E146 L237 L241 L242L145-L148 WeakPolarHBondContact O-CB 3.5Å; L145-L148 PolarHBondContact O-N 3.41Å; E146-L148 PolarHBondContact O-N 3.37Å; L148-L237 HydrophobicContact CB-CD1 4.05Å; L148-L237 HydrophobicContact CD1-CD1 4.1Å; L148-L241 HydrophobicContact CD2-CD1 4.29Å; L148-L241 HydrophobicContact CD2-CD2 4.36Å; L148-L241 HydrophobicContact CD2-CG 4.25Å; L148-L242 HydrophobicContact CD1-CD1 4.48Å
149L94.7Very high95.8Very high1 Ų145.8 Ų45.81%0.00525%0.251CS..Hα-helixtrans-98.9-9.9-177.1-60.9-170.2000114.1L145 E146 P147 L152 N153 Y154 I156 I166 L235 L237L145-L149 WeakPolarHBondContact O-CG 3.27Å; L145-L149 PolarHBondContact O-N 3.04Å; L145-L149 VanDerWaalsContact O-N 3.16Å; E146-L149 PolarHBondContact O-N 2.76Å; P147-L149 VanDerWaalsContact C-N 3.28Å; P147-L149 PolarHBondContact O-N 3.43Å; L149-L152 HydrophobicContact CD2-CD1 3.95Å; L149-L152 CarbonylContact O-C 3.56Å; L149-L152 WeakPolarHBondContact O-CA 3.18Å; L149-L152 PolarHBondContact O-N 3.05Å; L149-N153 PolarHBondContact O-N 3.26Å; L149-Y154 PolarHBondContact O-N 3.4Å; L149-I156 HydrophobicContact CD1-CD1 3.6Å; L149-I156 HydrophobicContact CD1-CG1 3.66Å; L149-I156 HydrophobicContact CG-CD1 4.45Å; L149-I166 HydrophobicContact CD1-CG2 4.05Å; L149-L235 HydrophobicContact CD1-CD2 3.73Å; L149-L235 HydrophobicContact CD2-CB 4.44Å; L149-L235 HydrophobicContact CD2-CD2 3.93Å; L149-L235 HydrophobicContact CG-CD2 4.44Å; L149-L237 HydrophobicContact CD2-CD1 4.14Å
150I92.3Very high95.7Very high127 Ų12749.7 Ų49.765%0.65128%0.275SS*.G310 helixtrans-50.8-49.2172.9-67.8170.5000111.7E146 L152 N153E146-I150 PolarHBondContact O-N 3.39Å; E146-I150 VanDerWaalsContact O-N 3.16Å; I150-L152 PolarHBondContact O-N 3.24Å; I150-N153 PolarHBondContact O-N 3.03Å
151P92.6Very high95.5Very high110 Ų11054 Ų5471%0.71429%0.291SS*.G310 helixtrans-65.4-22.9179.8-20.434.4000113.5N153P151-N153 VanDerWaalsContact C-N 3.35Å
152L90.9Very high95.5Very high71 Ų7156.9 Ų56.937%0.37230%0.303SS..G310 helixtrans-92.10.7178.6-57.5179.3000112.5L149 I150 Y154 L235 L237L149-L152 HydrophobicContact CD2-CD1 3.95Å; L149-L152 CarbonylContact O-C 3.56Å; L149-L152 WeakPolarHBondContact O-CA 3.18Å; L149-L152 PolarHBondContact O-N 3.05Å; I150-L152 PolarHBondContact O-N 3.24Å; L152-Y154 VanDerWaalsContact C-N 3.32Å; L152-Y154 HydrophobicContact CB-CD2 3.7Å; L152-Y154 HydrophobicContact CB-CE2 4.09Å; L152-Y154 WeakPolarHBondContact O-CD2 3.41Å; L152-Y154 VanDerWaalsContact O-CE2 3.28Å; L152-Y154 WeakPolarHBondContact O-CE2 3.16Å; L152-Y154 PolarHBondContact O-N 2.79Å; L152-L235 WeakPolarHBondContact CD1-O 3.02Å; L152-L237 HydrophobicContact CD1-CD2 4.27Å
153N92Very high95.4Very high45 Ų4555 Ų5524%0.24129%0.294CS..THydrogen-bonded Turntrans58.837.7176.7-165.246.1000114.4L149 I150 P151 N169 Q170L149-N153 PolarHBondContact O-N 3.26Å; I150-N153 PolarHBondContact O-N 3.03Å; P151-N153 VanDerWaalsContact C-N 3.35Å; N153-N169 PolarHBondContact O-N 3.41Å; N153-N169 PolarHBondContact O-ND2 3.28Å; N153-N169 WeakPolarHBondContact OD1-CB 3.36Å; N153-N169 PolarHBondContact OD1-ND2 2.93Å; N153-Q170 VanDerWaalsContact ND2-CG 3.26Å; N153-Q170 WeakPolarHBondContact ND2-CG 3.49Å; N153-Q170 PolarHBondContact ND2-N 2.72Å; N153-Q170 PolarHBondContact ND2-NE2 3.01Å
154Y93.8Very high95.5Very high32 Ų3252 Ų5213%0.12527%0.273CS..EExtended strand (participates in β ladder)trans-110144.3174.3-69.5-71.8000111.8L149 L152 I166 K167 E168 K233L149-Y154 PolarHBondContact O-N 3.4Å; L152-Y154 VanDerWaalsContact C-N 3.32Å; L152-Y154 HydrophobicContact CB-CD2 3.7Å; L152-Y154 HydrophobicContact CB-CE2 4.09Å; L152-Y154 WeakPolarHBondContact O-CD2 3.41Å; L152-Y154 VanDerWaalsContact O-CE2 3.28Å; L152-Y154 WeakPolarHBondContact O-CE2 3.16Å; L152-Y154 PolarHBondContact O-N 2.79Å; Y154-I166 HydrophobicContact CD1-CB 4.18Å; Y154-I166 HydrophobicContact CD1-CD1 4.04Å; Y154-I166 HydrophobicContact CD1-CG1 4.3Å; Y154-I166 HydrophobicContact CE1-CD1 4.28Å; Y154-I166 HydrophobicContact CG-CB 4.47Å; Y154-I166 HydrophobicContact CG-CD1 4.3Å; Y154-K167 VanDerWaalsContact CA-O 3.31Å; Y154-K167 WeakPolarHBondContact CA-O 3.45Å; Y154-K167 WeakPolarHBondContact CD1-O 3.43Å; Y154-E168 HydrophobicContact CD1-CB 4.11Å; Y154-E168 HydrophobicContact CD1-CG 4.48Å; Y154-E168 HydrophobicContact CE1-CB 3.62Å; Y154-E168 HydrophobicContact CE1-CG 3.88Å; Y154-E168 PolarHBondContact OH-OE2 3.28Å; Y154-K233 WeakPolarHBondContact OH-CE 3.3Å; Y154-K233 PolarHBondContact OH-NZ 2.8Å
155T93.8Very high95.4Very high47 Ų4753.9 Ų53.929%0.28828%0.279SS..EExtended strand (participates in β ladder)trans-104.2152.7161.354.80000110.5H157 I166 K167 N169T155-H157 PolarHBondContact OG1-NE2 3.27Å; T155-I166 VanDerWaalsContact O-CA 3.25Å; T155-I166 WeakPolarHBondContact O-CA 3.36Å; T155-K167 PolarHBondContact N-O 3.29Å; T155-K167 PolarHBondContact O-N 2.94Å; T155-N169 WeakPolarHBondContact CG2-OD1 3.26Å
156I95.9Very high95.3Very high3 Ų354 Ų542%0.01528%0.28CS..EExtended strand (participates in β ladder)trans-105.8142.2177.8-57179.4000109.4Q142 L145 E146 L149 L164 W165 I166Q142-I156 HydrophobicContact CB-CG2 4.42Å; Q142-I156 HydrophobicContact CG-CB 4.17Å; Q142-I156 HydrophobicContact CG-CG2 4.08Å; Q142-I156 PolarHBondContact NE2-O 2.8Å; Q142-I156 VanDerWaalsContact NE2-O 3.1Å; L145-I156 HydrophobicContact CB-CD1 3.2Å; L145-I156 HydrophobicContact CD1-CD1 4.19Å; L145-I156 HydrophobicContact CG-CD1 4.34Å; E146-I156 HydrophobicContact CG-CB 4.13Å; E146-I156 HydrophobicContact CG-CD1 4.07Å; E146-I156 HydrophobicContact CG-CG1 4.14Å; L149-I156 HydrophobicContact CD1-CD1 3.6Å; L149-I156 HydrophobicContact CD1-CG1 3.66Å; L149-I156 HydrophobicContact CG-CD1 4.45Å; I156-L164 HydrophobicContact CG2-CB 4.3Å; I156-L164 HydrophobicContact CG2-CD2 4.18Å; I156-W165 CarbonylContact C-O 3.58Å; I156-W165 VanDerWaalsContact CA-O 3.31Å; I156-W165 WeakPolarHBondContact CA-O 3.41Å; I156-I166 HydrophobicContact CG1-CG2 4.2Å
157H96.1Very high95.2Very high80 Ų8052.4 Ų52.437%0.3727%0.272SS..EExtended strand (participates in β ladder)trans-131.7136.2174.8-62.9-88.1000110.4T155 W165 M179T155-H157 PolarHBondContact OG1-NE2 3.27Å; H157-W165 HydrophobicContact CB-CB 4.48Å; H157-W165 PolarHBondContact N-O 3.23Å; H157-W165 PolarHBondContact O-N 2.86Å; H157-M179 HydrophobicContact CB-CE 3.68Å; H157-M179 VanDerWaalsContact CD2-CE 3.5Å; H157-M179 WeakPolarHBondContact CD2-CE 3.36Å
158I98Very high94.9Very high34 Ų3451.5 Ų51.517%0.17426%0.261CS..EExtended strand (participates in β ladder)trans-86.6119.8171.4-57.7169.7000108M138 E139 Q142 D163 L164M138-I158 HydrophobicContact CB-CD1 3.86Å; M138-I158 HydrophobicContact CB-CG1 4.13Å; M138-I158 HydrophobicContact CB-CG2 4.06Å; E139-I158 HydrophobicContact CB-CD1 4.31Å; E139-I158 HydrophobicContact CG-CD1 3.59Å; Q142-I158 HydrophobicContact CB-CD1 4.4Å; Q142-I158 VanDerWaalsContact OE1-CD1 3.27Å; I158-D163 WeakPolarHBondContact CA-O 3.31Å; I158-L164 HydrophobicContact CG1-CD2 3.72Å
159G96.2Very high94.4Very high16 Ų1653.4 Ų53.417%0.16527%0.271CS..  trans-80.1168.3176.100000112.8R161 Y162 D163G159-R161 PolarHBondContact O-N 2.79Å; G159-Y162 WeakPolarHBondContact O-CA 3.3Å; G159-Y162 PolarHBondContact O-N 3.34Å; G159-D163 WeakPolarHBondContact CA-OD1 3.46Å; G159-D163 PolarHBondContact N-O 2.85Å
160N95Very high93.6Very high169 Ų16960.6 Ų60.690%0.90431%0.305SS*.THydrogen-bonded Turntrans-60.3-17.8-177.6-66.5-15.9000114.5
161R95Very high92.3Very high101 Ų10158.7 Ų58.738%0.38129%0.294SS..THydrogen-bonded Turntrans-100.515.4176.2-61.1-179.3-58.3173.5-1.6112.4G159 D163 S185G159-R161 PolarHBondContact O-N 2.79Å; R161-D163 IonicContact CZ-OD2 2.75Å; R161-D163 IonicContact NE-OD2 3.96Å; R161-D163 PolarHBondContact NE-OD2 3.02Å; R161-D163 IonicContact NH2-OD2 2.83Å; R161-D163 PolarHBondContact NH2-OD2 3.03Å; R161-D163 PolarHBondContact O-N 3.01Å; R161-S185 PolarHBondContact O-OG 2.89Å
162Y97.7Very high90.8Very high62 Ų6261.3 Ų61.324%0.24330%0.302CS..SBendtrans59.530.7-174.6-43.6-77.1000111.9R134 Q135 M138 G159 S185R134-Y162 HydrophobicContact CB-CD1 3.97Å; R134-Y162 HydrophobicContact CB-CD2 4.01Å; R134-Y162 HydrophobicContact CB-CE1 4.09Å; R134-Y162 HydrophobicContact CB-CE2 4.15Å; R134-Y162 HydrophobicContact CB-CG 3.91Å; R134-Y162 PolarHBondContact NH2-OH 3.09Å; R134-Y162 VanDerWaalsContact NH2-OH 3.15Å; Q135-Y162 HydrophobicContact CB-CD1 4.48Å; Q135-Y162 HydrophobicContact CB-CE1 4.12Å; M138-Y162 WeakPolarHBondContact CE-O 3.38Å; M138-Y162 WeakPolarHBondContact CG-O 3.48Å; G159-Y162 WeakPolarHBondContact O-CA 3.3Å; G159-Y162 PolarHBondContact O-N 3.34Å; Y162-S185 WeakPolarHBondContact O-CB 3.17Å; Y162-S185 PolarHBondContact O-OG 2.98Å
163D97.6Very high89.4Confident4 Ų462.4 Ų62.42%0.02131%0.308CS..  trans-87.3153.3167.237.516.7000110.5I158 G159 R161 W165 K181 S183I158-D163 WeakPolarHBondContact CA-O 3.31Å; G159-D163 WeakPolarHBondContact CA-OD1 3.46Å; G159-D163 PolarHBondContact N-O 2.85Å; R161-D163 IonicContact CZ-OD2 2.75Å; R161-D163 IonicContact NE-OD2 3.96Å; R161-D163 PolarHBondContact NE-OD2 3.02Å; R161-D163 IonicContact NH2-OD2 2.83Å; R161-D163 PolarHBondContact NH2-OD2 3.03Å; R161-D163 PolarHBondContact O-N 3.01Å; D163-W165 PolarHBondContact OD1-NE1 3.38Å; D163-K181 HydrophobicContact CB-CD 4.33Å; D163-K181 WeakPolarHBondContact OD2-CE 3.14Å; D163-K181 IonicContact OD2-NZ 3.41Å; D163-K181 PolarHBondContact OD2-NZ 3.31Å; D163-S183 WeakPolarHBondContact CA-O 3.42Å; D163-S183 WeakPolarHBondContact CB-O 3.17Å
164L98.3Very high87.6Confident0 Ų067.1 Ų67.10%033%0.333CS..EExtended strand (participates in β ladder)trans-100.4137.2174.4-54.4176.3000110.7M138 L141 L145 I156 I158 I182 S183M138-L164 HydrophobicContact CB-CD2 4.34Å; M138-L164 HydrophobicContact CE-CD1 3.82Å; M138-L164 HydrophobicContact CE-CD2 3.68Å; M138-L164 HydrophobicContact CE-CG 3.44Å; M138-L164 VanDerWaalsContact CE-CG 3.44Å; L141-L164 HydrophobicContact CB-CD1 4.1Å; L145-L164 HydrophobicContact CD1-CD1 3.9Å; I156-L164 HydrophobicContact CG2-CB 4.3Å; I156-L164 HydrophobicContact CG2-CD2 4.18Å; I158-L164 HydrophobicContact CG1-CD2 3.72Å; L164-I182 HydrophobicContact CB-CD1 3.89Å; L164-I182 HydrophobicContact CB-CG1 3.68Å; L164-I182 WeakPolarHBondContact O-CG1 3.34Å; L164-I182 PolarHBondContact O-N 2.74Å; L164-S183 PolarHBondContact N-O 3.16Å; L164-S183 VanDerWaalsContact N-O 3.16Å; L164-S183 PolarHBondContact O-N 3.29Å
165W97.6Very high86.3Confident43 Ų4368.4 Ų68.416%0.16334%0.344CS..EExtended strand (participates in β ladder)trans-126.7148.9-179.7-59.178.1000109.7I156 H157 D163 M179 M180 K181I156-W165 CarbonylContact C-O 3.58Å; I156-W165 VanDerWaalsContact CA-O 3.31Å; I156-W165 WeakPolarHBondContact CA-O 3.41Å; H157-W165 HydrophobicContact CB-CB 4.48Å; H157-W165 PolarHBondContact N-O 3.23Å; H157-W165 PolarHBondContact O-N 2.86Å; D163-W165 PolarHBondContact OD1-NE1 3.38Å; W165-M179 HydrophobicContact CB-CE 3.45Å; W165-M179 VanDerWaalsContact CB-CE 3.45Å; W165-M179 HydrophobicContact CE3-CB 3.97Å; W165-M179 HydrophobicContact CG-CE 4.31Å; W165-M180 CarbonylContact C-O 3.58Å; W165-M180 WeakPolarHBondContact CA-O 3.34Å; W165-K181 HydrophobicContact CD2-CB 4.07Å; W165-K181 HydrophobicContact CE3-CB 3.81Å; W165-K181 HydrophobicContact CH2-CB 4.07Å; W165-K181 HydrophobicContact CH2-CD 4.35Å; W165-K181 HydrophobicContact CZ2-CB 4.29Å; W165-K181 HydrophobicContact CZ2-CD 4.08Å; W165-K181 HydrophobicContact CZ2-CG 4.45Å; W165-K181 HydrophobicContact CZ3-CB 3.81Å
166I95.9Very high85Confident2 Ų274.9 Ų74.91%0.0137%0.371CS..EExtended strand (participates in β ladder)trans-116.3146172.561.4176.7000111.3L149 Y154 T155 I156 M180 I182 K233 L235L149-I166 HydrophobicContact CD1-CG2 4.05Å; Y154-I166 HydrophobicContact CD1-CB 4.18Å; Y154-I166 HydrophobicContact CD1-CD1 4.04Å; Y154-I166 HydrophobicContact CD1-CG1 4.3Å; Y154-I166 HydrophobicContact CE1-CD1 4.28Å; Y154-I166 HydrophobicContact CG-CB 4.47Å; Y154-I166 HydrophobicContact CG-CD1 4.3Å; T155-I166 VanDerWaalsContact O-CA 3.25Å; T155-I166 WeakPolarHBondContact O-CA 3.36Å; I156-I166 HydrophobicContact CG1-CG2 4.2Å; I166-M180 HydrophobicContact CG1-CB 4.28Å; I166-M180 PolarHBondContact N-O 3.14Å; I166-M180 PolarHBondContact O-N 2.8Å; I166-I182 HydrophobicContact CB-CG2 4.25Å; I166-I182 HydrophobicContact CD1-CG2 3.64Å; I166-I182 HydrophobicContact CG1-CG2 3.66Å; I166-I182 HydrophobicContact CG2-CD1 3.75Å; I166-I182 HydrophobicContact CG2-CG1 4.2Å; I166-I182 HydrophobicContact CG2-CG2 3.7Å; I166-K233 HydrophobicContact CD1-CB 4.08Å; I166-K233 HydrophobicContact CD1-CD 3.77Å; I166-K233 HydrophobicContact CD1-CG 3.81Å; I166-L235 HydrophobicContact CG2-CD2 4.34Å
167K92.7Very high83.9Confident43 Ų4383.3 Ų83.319%0.18741%0.41CS..EExtended strand (participates in β ladder)trans-125.2134172.9-168.8-177170.6-173.50109.5Y154 T155 N174 M179Y154-K167 VanDerWaalsContact CA-O 3.31Å; Y154-K167 WeakPolarHBondContact CA-O 3.45Å; Y154-K167 WeakPolarHBondContact CD1-O 3.43Å; T155-K167 PolarHBondContact N-O 3.29Å; T155-K167 PolarHBondContact O-N 2.94Å; K167-N174 PolarHBondContact NZ-OD1 2.96Å; K167-M179 HydrophobicContact CB-SD 3.56Å; K167-M179 VanDerWaalsContact CB-SD 3.56Å; K167-M179 HydrophobicContact CD-SD 4.2Å; K167-M179 HydrophobicContact CG-SD 3.96Å
168E90Very high83.3Confident58 Ų5880.6 Ų80.627%0.27140%0.399SS..EExtended strand (participates in β ladder)trans-77.8126.7171.6-161.8159.7155.300110.7Y154 Q170 M171Y154-E168 HydrophobicContact CD1-CB 4.11Å; Y154-E168 HydrophobicContact CD1-CG 4.48Å; Y154-E168 HydrophobicContact CE1-CB 3.62Å; Y154-E168 HydrophobicContact CE1-CG 3.88Å; Y154-E168 PolarHBondContact OH-OE2 3.28Å; E168-Q170 PolarHBondContact O-N 3.4Å; E168-M171 HydrophobicContact CB-CG 4.34Å
169N86.3Confident83.1Confident74 Ų7480.7 Ų80.740%0.39640%0.399SS..THydrogen-bonded Turntrans-72.6-26-174.1-63.7-35.2000113.7N153 T155 M171N153-N169 PolarHBondContact O-N 3.41Å; N153-N169 PolarHBondContact O-ND2 3.28Å; N153-N169 WeakPolarHBondContact OD1-CB 3.36Å; N153-N169 PolarHBondContact OD1-ND2 2.93Å; T155-N169 WeakPolarHBondContact CG2-OD1 3.26Å; N169-M171 VanDerWaalsContact C-N 3.27Å; N169-M171 PolarHBondContact O-N 3.15Å
170Q78.4Confident83.1Confident151 Ų15182.1 Ų82.171%0.70640%0.402SS*.THydrogen-bonded Turntrans-75.4-13.7-177.2-91.7172.741.300113.8N153 E168 N172N153-Q170 VanDerWaalsContact ND2-CG 3.26Å; N153-Q170 WeakPolarHBondContact ND2-CG 3.49Å; N153-Q170 PolarHBondContact ND2-N 2.72Å; N153-Q170 PolarHBondContact ND2-NE2 3.01Å; E168-Q170 PolarHBondContact O-N 3.4Å; Q170-N172 PolarHBondContact O-N 3.23Å
171M65.2Low83.2Confident88 Ų8875.5 Ų75.543%0.43337%0.365SS..  trans-81.9100.2176.8-67-72-97.600108.9E168 N169 I173 N178E168-M171 HydrophobicContact CB-CG 4.34Å; N169-M171 VanDerWaalsContact C-N 3.27Å; N169-M171 PolarHBondContact O-N 3.15Å; M171-I173 PolarHBondContact O-N 3.35Å; M171-N178 VanDerWaalsContact CB-ND2 3.25Å; M171-N178 WeakPolarHBondContact CB-ND2 3.37Å; M171-N178 WeakPolarHBondContact CG-ND2 3.46Å
172N60.4Low83.3Confident164 Ų16470.7 Ų70.788%0.87735%0.347SS*.  trans-63.116.6173.2-85.7-21.7000114.4Q170Q170-N172 PolarHBondContact O-N 3.23Å
173I60.9Low83.3Confident95 Ų9567.8 Ų67.849%0.48734%0.336SS..  trans-105.5101.9178.7-55177.6000107.2M171 T175M171-I173 PolarHBondContact O-N 3.35Å; I173-T175 HydrophobicContact CG2-CG2 3.67Å; I173-T175 WeakPolarHBondContact CG2-OG1 3.31Å; I173-T175 PolarHBondContact O-N 2.86Å
174N56Low83.3Confident143 Ų14368.4 Ų68.477%0.76534%0.342SS*.  trans-77.862172.5-80.6-17.3000111K167K167-N174 PolarHBondContact NZ-OD1 2.96Å
175T64.9Low83.3Confident60 Ų6069.6 Ų69.637%0.36835%0.351SS..  trans-114.5143.917160.30000110.2I173 Q177 N178I173-T175 HydrophobicContact CG2-CG2 3.67Å; I173-T175 WeakPolarHBondContact CG2-OG1 3.31Å; I173-T175 PolarHBondContact O-N 2.86Å; T175-Q177 PolarHBondContact O-N 3.35Å; T175-N178 PolarHBondContact O-N 3.07Å; T175-N178 VanDerWaalsContact O-N 3.11Å
176E68.1Low83.3Confident183 Ų18368.2 Ų68.286%0.85535%0.348SS*.G310 helixtrans-54.2-19.1171.8-65.9-178.8162.200112.4N178 M179E176-N178 PolarHBondContact O-N 3.29Å; E176-M179 WeakPolarHBondContact O-CB 3.39Å; E176-M179 PolarHBondContact O-N 3.47Å
177Q71.1Confident83.4Confident179 Ų17969.5 Ų69.584%0.83636%0.357SS*.G310 helixtrans-64-20.2177.4-63.8-177.9-12.200114T175T175-Q177 PolarHBondContact O-N 3.35Å
178N83.9Confident83.7Confident24 Ų2469.1 Ų69.113%0.12836%0.355CS..G310 helixtrans-92.34.7177.9-162.834.6000113.7M171 T175 E176M171-N178 VanDerWaalsContact CB-ND2 3.25Å; M171-N178 WeakPolarHBondContact CB-ND2 3.37Å; M171-N178 WeakPolarHBondContact CG-ND2 3.46Å; T175-N178 PolarHBondContact O-N 3.07Å; T175-N178 VanDerWaalsContact O-N 3.11Å; E176-N178 PolarHBondContact O-N 3.29Å
179M93.3Very high84.1Confident35 Ų3569.7 Ų69.717%0.17236%0.357CS..EExtended strand (participates in β ladder)trans-88.1126.6178.2-64.6-65.1-75.400110.2H157 W165 K167 E176 P231H157-M179 HydrophobicContact CB-CE 3.68Å; H157-M179 VanDerWaalsContact CD2-CE 3.5Å; H157-M179 WeakPolarHBondContact CD2-CE 3.36Å; W165-M179 HydrophobicContact CB-CE 3.45Å; W165-M179 VanDerWaalsContact CB-CE 3.45Å; W165-M179 HydrophobicContact CE3-CB 3.97Å; W165-M179 HydrophobicContact CG-CE 4.31Å; K167-M179 HydrophobicContact CB-SD 3.56Å; K167-M179 VanDerWaalsContact CB-SD 3.56Å; K167-M179 HydrophobicContact CD-SD 4.2Å; K167-M179 HydrophobicContact CG-SD 3.96Å; E176-M179 WeakPolarHBondContact O-CB 3.39Å; E176-M179 PolarHBondContact O-N 3.47Å; M179-P231 WeakPolarHBondContact O-CG 3.45Å
180M96.3Very high84.6Confident47 Ų4766.7 Ų66.723%0.23234%0.343CS..EExtended strand (participates in β ladder)trans-117.3132.6174.7-69-177.3-96.200110.4W165 I166 P231 K233W165-M180 CarbonylContact C-O 3.58Å; W165-M180 WeakPolarHBondContact CA-O 3.34Å; I166-M180 HydrophobicContact CG1-CB 4.28Å; I166-M180 PolarHBondContact N-O 3.14Å; I166-M180 PolarHBondContact O-N 2.8Å; M180-P231 HydrophobicContact CG-CB 4.4Å; M180-K233 HydrophobicContact CB-CB 3.77Å; M180-K233 HydrophobicContact CE-CD 3.62Å; M180-K233 HydrophobicContact CG-CB 4.41Å; M180-K233 HydrophobicContact SD-CB 3.83Å; M180-K233 HydrophobicContact SD-CD 3.7Å; M180-K233 HydrophobicContact SD-CG 4.36Å
181K97.5Very high85.4Confident30 Ų3064.2 Ų64.213%0.1334%0.343CS..EExtended strand (participates in β ladder)trans-77.1129.7179.9-176169.4176.7160.70110.5D163 W165 S183 G184 P231 V232 K233D163-K181 HydrophobicContact CB-CD 4.33Å; D163-K181 WeakPolarHBondContact OD2-CE 3.14Å; D163-K181 IonicContact OD2-NZ 3.41Å; D163-K181 PolarHBondContact OD2-NZ 3.31Å; W165-K181 HydrophobicContact CD2-CB 4.07Å; W165-K181 HydrophobicContact CE3-CB 3.81Å; W165-K181 HydrophobicContact CH2-CB 4.07Å; W165-K181 HydrophobicContact CH2-CD 4.35Å; W165-K181 HydrophobicContact CZ2-CB 4.29Å; W165-K181 HydrophobicContact CZ2-CD 4.08Å; W165-K181 HydrophobicContact CZ2-CG 4.45Å; W165-K181 HydrophobicContact CZ3-CB 3.81Å; K181-S183 WeakPolarHBondContact CE-O 3.31Å; K181-G184 VanDerWaalsContact CE-CA 3.49Å; K181-P231 WeakPolarHBondContact CB-O 3.36Å; K181-P231 PolarHBondContact N-O 3.1Å; K181-V232 HydrophobicContact CB-CG1 4.35Å; K181-V232 WeakPolarHBondContact O-CA 3.48Å; K181-K233 PolarHBondContact O-N 2.81Å; K181-K233 VanDerWaalsContact O-N 3.1Å
182I98.1Very high86.9Confident0 Ų062.3 Ų62.30%033%0.334CS..EExtended strand (participates in β ladder)trans-110.6-17.5176.761.4163.1000112L145 L164 I166 L200 L201 K233 L235L145-I182 HydrophobicContact CD1-CD1 4.43Å; L164-I182 HydrophobicContact CB-CD1 3.89Å; L164-I182 HydrophobicContact CB-CG1 3.68Å; L164-I182 WeakPolarHBondContact O-CG1 3.34Å; L164-I182 PolarHBondContact O-N 2.74Å; I166-I182 HydrophobicContact CB-CG2 4.25Å; I166-I182 HydrophobicContact CD1-CG2 3.64Å; I166-I182 HydrophobicContact CG1-CG2 3.66Å; I166-I182 HydrophobicContact CG2-CD1 3.75Å; I166-I182 HydrophobicContact CG2-CG1 4.2Å; I166-I182 HydrophobicContact CG2-CG2 3.7Å; I182-L200 HydrophobicContact CD1-CD1 3.99Å; I182-L200 HydrophobicContact CG1-CD1 4.33Å; I182-L201 PolarHBondContact O-N 2.88Å; I182-K233 WeakPolarHBondContact CG2-O 3.08Å; I182-L235 HydrophobicContact CB-CD2 4.28Å; I182-L235 HydrophobicContact CD1-CD1 4.47Å; I182-L235 HydrophobicContact CD1-CD2 3.66Å; I182-L235 HydrophobicContact CD1-CG 4.36Å; I182-L235 HydrophobicContact CG2-CD2 3.99Å
183S98.1Very high88.6Confident1 Ų154.5 Ų54.51%0.00729%0.293CS..EExtended strand (participates in β ladder)trans-146.6129.3-175176.80000111.7D163 L164 K181 C198 T199D163-S183 WeakPolarHBondContact CA-O 3.42Å; D163-S183 WeakPolarHBondContact CB-O 3.17Å; L164-S183 PolarHBondContact N-O 3.16Å; L164-S183 VanDerWaalsContact N-O 3.16Å; L164-S183 PolarHBondContact O-N 3.29Å; K181-S183 WeakPolarHBondContact CE-O 3.31Å; S183-C198 WeakPolarHBondContact OG-CB 3.28Å; S183-T199 WeakPolarHBondContact CA-O 3.4Å; S183-T199 WeakPolarHBondContact CB-O 3.36Å; S183-T199 PolarHBondContact OG-O 3.19Å
184G97.5Very high90.4Very high16 Ų1650 Ų5017%0.16527%0.27CS..  trans-104.2142.8166.200000110.6K181 C198 T199K181-G184 VanDerWaalsContact CE-CA 3.49Å; G184-C198 CarbonylContact O-C 3.54Å; G184-C198 WeakPolarHBondContact O-CA 3.37Å; G184-C198 WeakPolarHBondContact O-CB 3.43Å; G184-T199 PolarHBondContact N-OG1 3.01Å; G184-T199 PolarHBondContact O-N 3.35Å
185S97.7Very high92.4Very high26 Ų2643.2 Ų43.218%0.18223%0.233CC..EExtended strand (participates in β ladder)trans-127.3164.3-179.274.40000113.5R161 Y162 H196 H197R161-S185 PolarHBondContact O-OG 2.89Å; Y162-S185 WeakPolarHBondContact O-CB 3.17Å; Y162-S185 PolarHBondContact O-OG 2.98Å; S185-H196 VanDerWaalsContact CB-CE1 3.43Å; S185-H196 WeakPolarHBondContact CB-CE1 3.41Å; S185-H196 PolarHBondContact OG-CE1 2.7Å; S185-H197 CarbonylContact C-O 3.48Å; S185-H197 WeakPolarHBondContact CA-O 3.41Å; S185-H197 VanDerWaalsContact CB-O 3.3Å; S185-H197 WeakPolarHBondContact CB-O 3.06Å
186S97.9Very high94Very high13 Ų1340.4 Ų40.49%0.09122%0.216CC..EExtended strand (participates in β ladder)trans-158.6167.3175110.50000110T109 G110 H196 H197T109-S186 WeakPolarHBondContact CB-OG 3.36Å; T109-S186 PolarHBondContact OG1-OG 2.87Å; G110-S186 WeakPolarHBondContact O-CB 3.42Å; G110-S186 PolarHBondContact O-OG 3.3Å; S186-H196 PolarHBondContact O-ND1 3.15Å; S186-H196 VanDerWaalsContact O-ND1 3.15Å; S186-H197 PolarHBondContact N-O 3.06Å; S186-H197 PolarHBondContact O-CD2 3.15Å; S186-H197 VanDerWaalsContact O-CD2 3.29Å; S186-H197 PolarHBondContact O-N 3.01Å; S186-H197 PolarHBondContact OG-CD2 3.1Å; S186-H197 PolarHBondContact OG-NE2 2.65Å
187S98.2Very high95.5Very high29 Ų2932.7 Ų32.720%0.20318%0.18CC..EExtended strand (participates in β ladder)trans-141.3163175.8-68.40000113.4R134 Y195 H196R134-S187 WeakPolarHBondContact CD-OG 3.41Å; S187-Y195 CarbonylContact C-O 3.53Å; S187-Y195 WeakPolarHBondContact CA-O 3.46Å; S187-Y195 VanDerWaalsContact CB-O 3.27Å; S187-Y195 WeakPolarHBondContact CB-O 3.48Å; S187-Y195 PolarHBondContact OG-O 3.42Å; S187-H196 WeakPolarHBondContact OG-CA 3.35Å; S187-H196 WeakPolarHBondContact OG-CB 3.44Å; S187-H196 PolarHBondContact OG-ND1 2.92Å
188K97.9Very high96.8Very high35 Ų3524.2 Ų24.215%0.15214%0.141CC..EExtended strand (participates in β ladder)trans-130.8132.4162.4-179.5173.5172.2-171.10109.3E48 Y51 T109 A194 Y195E48-K188 IonicContact OE1-NZ 2.95Å; E48-K188 PolarHBondContact OE1-NZ 2.62Å; E48-K188 IonicContact OE2-NZ 3.79Å; E48-K188 PolarHBondContact OE2-NZ 2.79Å; Y51-K188 HydrophobicContact CE1-CD 3.96Å; Y51-K188 HydrophobicContact CE1-CG 4.47Å; T109-K188 HydrophobicContact CG2-CB 3.86Å; K188-A194 CarbonylContact O-C 3.49Å; K188-A194 WeakPolarHBondContact O-CA 3.16Å; K188-A194 WeakPolarHBondContact O-CB 3.18Å; K188-Y195 HydrophobicContact CB-CD1 3.98Å; K188-Y195 HydrophobicContact CB-CE1 3.61Å; K188-Y195 HydrophobicContact CB-CE2 4.47Å; K188-Y195 HydrophobicContact CD-CE1 3.67Å; K188-Y195 HydrophobicContact CG-CE1 4.15Å; K188-Y195 PolarHBondContact N-O 2.81Å; K188-Y195 PolarHBondContact O-N 3.42Å
189F97.9Very high97.5Very high70 Ų7023.9 Ų23.931%0.30714%0.139SC..EExtended strand (participates in β ladder)trans-120.1104.4-176.4-86.8-98.7000107.6R129 M132 R134 A194R129-F189 HydrophobicContact CG-CD1 4.07Å; M132-F189 HydrophobicContact CB-CE1 4.13Å; M132-F189 HydrophobicContact CB-CZ 4.32Å; M132-F189 HydrophobicContact CG-CE1 3.83Å; M132-F189 HydrophobicContact CG-CE2 4.3Å; M132-F189 HydrophobicContact CG-CZ 3.52Å; R134-F189 HydrophobicContact CG-CE2 4.29Å; R134-F189 HydrophobicContact CG-CZ 4.28Å; F189-A194 HydrophobicContact CB-CB 4.48Å; F189-A194 HydrophobicContact CD1-CB 3.66Å; F189-A194 HydrophobicContact CD2-CB 4.35Å; F189-A194 HydrophobicContact CE1-CB 3.88Å; F189-A194 HydrophobicContact CG-CB 3.92Å; F189-A194 HydrophobicContact CZ-CB 4.31Å
190G96.8Very high97.7Very high11 Ų1122.3 Ų22.311%0.11313%0.131CC..  trans-84.3-167.4172.500000112Y51 E55 R129 M193Y51-G190 WeakPolarHBondContact OH-CA 3.35Å; Y51-G190 PolarHBondContact OH-N 2.95Å; E55-G190 VanDerWaalsContact OE2-CA 3.28Å; E55-G190 WeakPolarHBondContact OE2-CA 3.45Å; R129-G190 VanDerWaalsContact CD-O 3.26Å; R129-G190 WeakPolarHBondContact CD-O 3.45Å; R129-G190 PolarHBondContact NH1-O 2.66Å; G190-M193 VanDerWaalsContact CA-O 3.3Å; G190-M193 WeakPolarHBondContact CA-O 3.49Å; G190-M193 PolarHBondContact N-O 2.84Å
191S95.7Very high97.8Very high99 Ų9920.5 Ų20.569%0.69212%0.123SC*.SBendtrans-74.2-41.2178.4-65.50000111.6E55 R129E55-S191 PolarHBondContact OE2-N 3Å; R129-S191 WeakPolarHBondContact CD-O 3.39Å
192N96.1Very high97.9Very high48 Ų4819.5 Ų19.526%0.25712%0.118SC..SBendtrans-114.6-29.2-172.3-56.6-45.2000113.2E55 F58 Q59 P128 R129E55-N192 PolarHBondContact O-ND2 2.8Å; E55-N192 VanDerWaalsContact OE1-CA 3.3Å; E55-N192 WeakPolarHBondContact OE1-CA 3.19Å; E55-N192 WeakPolarHBondContact OE1-CB 3Å; E55-N192 PolarHBondContact OE1-N 3.03Å; F58-N192 HydrophobicContact CB-CB 3.68Å; Q59-N192 WeakPolarHBondContact CA-ND2 3.18Å; Q59-N192 PolarHBondContact N-ND2 2.81Å; P128-N192 CarbonylContact C-O 3.54Å; P128-N192 WeakPolarHBondContact CA-O 3.43Å; R129-N192 WeakPolarHBondContact CB-O 3.3Å; R129-N192 PolarHBondContact N-O 3.1Å
193M97.3Very high97.9Very high1 Ų124.5 Ų24.51%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-122.9155.4-175.7-62.8-58.7-66.500110.2Y51 E55 F58 F68 I126 Q127 P128 G190Y51-M193 HydrophobicContact CD2-CB 3.88Å; Y51-M193 HydrophobicContact CE2-CB 3.82Å; E55-M193 HydrophobicContact CG-CB 4.08Å; E55-M193 HydrophobicContact CG-CG 4.35Å; E55-M193 WeakPolarHBondContact OE1-CB 3.46Å; E55-M193 PolarHBondContact OE1-N 3.33Å; F58-M193 HydrophobicContact CD2-CG 4.42Å; F58-M193 HydrophobicContact CD2-SD 3.66Å; F58-M193 HydrophobicContact CE2-SD 3.8Å; F68-M193 HydrophobicContact CE2-CE 3.96Å; F68-M193 HydrophobicContact CZ-CE 3.56Å; F68-M193 HydrophobicContact CZ-SD 4.06Å; I126-M193 HydrophobicContact CG2-CE 4.01Å; Q127-M193 WeakPolarHBondContact O-CA 3.2Å; Q127-M193 WeakPolarHBondContact O-CE 3.21Å; P128-M193 HydrophobicContact CB-SD 4.45Å; P128-M193 HydrophobicContact CG-SD 4.47Å; G190-M193 VanDerWaalsContact CA-O 3.3Å; G190-M193 WeakPolarHBondContact CA-O 3.49Å; G190-M193 PolarHBondContact N-O 2.84Å
194A98.3Very high97.9Very high0 Ų024.7 Ų24.70%015%0.147CC..EExtended strand (participates in β ladder)trans-142.1154.9167.500000109.3Q127 R129 M132 K188 F189Q127-A194 PolarHBondContact N-O 3.26Å; Q127-A194 PolarHBondContact O-N 2.99Å; R129-A194 HydrophobicContact CB-CB 4.47Å; M132-A194 HydrophobicContact CB-CB 3.68Å; M132-A194 HydrophobicContact CG-CB 3.64Å; K188-A194 CarbonylContact O-C 3.49Å; K188-A194 WeakPolarHBondContact O-CA 3.16Å; K188-A194 WeakPolarHBondContact O-CB 3.18Å; F189-A194 HydrophobicContact CB-CB 4.48Å; F189-A194 HydrophobicContact CD1-CB 3.66Å; F189-A194 HydrophobicContact CD2-CB 4.35Å; F189-A194 HydrophobicContact CE1-CB 3.88Å; F189-A194 HydrophobicContact CG-CB 3.92Å; F189-A194 HydrophobicContact CZ-CB 4.31Å
195Y98.4Very high97.9Very high1 Ų127 Ų270%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-129.6144.916571.3-96.3000111.6E47 Y51 T109 F125 S187 K188E47-Y195 HydrophobicContact CG-CD2 4.49Å; E47-Y195 HydrophobicContact CG-CE2 4.31Å; E47-Y195 WeakPolarHBondContact OE2-CE2 3.32Å; E47-Y195 PolarHBondContact OE2-OH 2.95Å; Y51-Y195 HydrophobicContact CD1-CD1 4.35Å; Y51-Y195 HydrophobicContact CD1-CE1 4.16Å; Y51-Y195 AromaticContact CD2-CD1 3.6Å; Y51-Y195 HydrophobicContact CD2-CD1 3.6Å; Y51-Y195 HydrophobicContact CD2-CE1 4.21Å; Y51-Y195 HydrophobicContact CE2-CD1 4.19Å; Y51-Y195 AromaticContact CG-CD1 3.67Å; Y51-Y195 HydrophobicContact CG-CD1 3.67Å; Y51-Y195 AromaticContact CG-CE1 3.9Å; Y51-Y195 HydrophobicContact CG-CE1 3.9Å; T109-Y195 HydrophobicContact CG2-CD2 4.18Å; T109-Y195 HydrophobicContact CG2-CE1 4.34Å; T109-Y195 HydrophobicContact CG2-CE2 3.15Å; T109-Y195 WeakPolarHBondContact CG2-OH 3.45Å; F125-Y195 CarbonylContact O-C 3.51Å; F125-Y195 WeakPolarHBondContact O-CA 3.35Å; F125-Y195 WeakPolarHBondContact O-CB 3.37Å; S187-Y195 CarbonylContact C-O 3.53Å; S187-Y195 WeakPolarHBondContact CA-O 3.46Å; S187-Y195 VanDerWaalsContact CB-O 3.27Å; S187-Y195 WeakPolarHBondContact CB-O 3.48Å; S187-Y195 PolarHBondContact OG-O 3.42Å; K188-Y195 HydrophobicContact CB-CD1 3.98Å; K188-Y195 HydrophobicContact CB-CE1 3.61Å; K188-Y195 HydrophobicContact CB-CE2 4.47Å; K188-Y195 HydrophobicContact CD-CE1 3.67Å; K188-Y195 HydrophobicContact CG-CE1 4.15Å; K188-Y195 PolarHBondContact N-O 2.81Å; K188-Y195 PolarHBondContact O-N 3.42Å
196H98.6Very high97.9Very high1 Ų128.3 Ų28.31%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-120.2129.4169.9-177.462.7000107.6S124 F125 M132 R134 M138 S185 S186 S187S124-H196 CarbonylContact C-O 3.6Å; S124-H196 WeakPolarHBondContact CA-O 3.46Å; F125-H196 PolarHBondContact N-O 2.96Å; F125-H196 PolarHBondContact O-N 3.29Å; M132-H196 HydrophobicContact CE-CB 4.27Å; M132-H196 HydrophobicContact SD-CB 3.78Å; R134-H196 HydrophobicContact CG-CB 4.25Å; M138-H196 PolarHBondContact SD-NE2 2.83Å; S185-H196 VanDerWaalsContact CB-CE1 3.43Å; S185-H196 WeakPolarHBondContact CB-CE1 3.41Å; S185-H196 PolarHBondContact OG-CE1 2.7Å; S186-H196 PolarHBondContact O-ND1 3.15Å; S186-H196 VanDerWaalsContact O-ND1 3.15Å; S187-H196 WeakPolarHBondContact OG-CA 3.35Å; S187-H196 WeakPolarHBondContact OG-CB 3.44Å; S187-H196 PolarHBondContact OG-ND1 2.92Å
197H98.6Very high98Very high20 Ų2033.7 Ų33.79%0.09319%0.188CC..EExtended strand (participates in β ladder)trans-129.5157178.271.6172.8000111.4E47 T109 I123 S124 S185 S186E47-H197 IonicContact OE1-ND1 2.9Å; E47-H197 PolarHBondContact OE1-ND1 3.21Å; E47-H197 IonicContact OE2-ND1 3.42Å; T109-H197 PolarHBondContact OG1-NE2 3.21Å; I123-H197 CarbonylContact O-C 3.58Å; I123-H197 WeakPolarHBondContact O-CA 3.47Å; S124-H197 WeakPolarHBondContact OG-CB 3.35Å; S185-H197 CarbonylContact C-O 3.48Å; S185-H197 WeakPolarHBondContact CA-O 3.41Å; S185-H197 VanDerWaalsContact CB-O 3.3Å; S185-H197 WeakPolarHBondContact CB-O 3.06Å; S186-H197 PolarHBondContact N-O 3.06Å; S186-H197 PolarHBondContact O-CD2 3.15Å; S186-H197 VanDerWaalsContact O-CD2 3.29Å; S186-H197 PolarHBondContact O-N 3.01Å; S186-H197 PolarHBondContact OG-CD2 3.1Å; S186-H197 PolarHBondContact OG-NE2 2.65Å
198C98.5Very high98Very high2 Ų234.5 Ų34.51%0.01419%0.19CC..EExtended strand (participates in β ladder)trans-144.4154.3173.368.70000111.6N122 I123 M138 L141 S183 G184N122-C198 WeakPolarHBondContact CA-O 3.4Å; I123-C198 PolarHBondContact N-O 2.94Å; I123-C198 PolarHBondContact O-N 3.46Å; M138-C198 HydrophobicContact CE-CB 4.27Å; L141-C198 WeakPolarHBondContact CD1-SG 3.04Å; S183-C198 WeakPolarHBondContact OG-CB 3.28Å; G184-C198 CarbonylContact O-C 3.54Å; G184-C198 WeakPolarHBondContact O-CA 3.37Å; G184-C198 WeakPolarHBondContact O-CB 3.43Å
199T98.2Very high98Very high16 Ų1633.9 Ų33.910%0.09819%0.188CC..EExtended strand (participates in β ladder)trans-91.6152165.6720000108.8V114 N120 L121 S183 G184V114-T199 HydrophobicContact CB-CG2 4.2Å; V114-T199 HydrophobicContact CG1-CG2 4.07Å; V114-T199 HydrophobicContact CG2-CG2 4.05Å; N120-T199 WeakPolarHBondContact OD1-CB 3.22Å; L121-T199 CarbonylContact O-C 3.57Å; S183-T199 WeakPolarHBondContact CA-O 3.4Å; S183-T199 WeakPolarHBondContact CB-O 3.36Å; S183-T199 PolarHBondContact OG-O 3.19Å; G184-T199 PolarHBondContact N-OG1 3.01Å; G184-T199 PolarHBondContact O-N 3.35Å
200L98.7Very high98Very high2 Ų233.4 Ų33.41%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-137.5111.9175.8-176.166.5000109N120 L121 I123 L145 I182 F202 L235 L242N120-L200 WeakPolarHBondContact CA-O 3.13Å; L121-L200 HydrophobicContact CB-CB 4.39Å; L121-L200 PolarHBondContact N-O 2.9Å; L121-L200 PolarHBondContact O-N 3.45Å; I123-L200 HydrophobicContact CD1-CD2 4.39Å; L145-L200 HydrophobicContact CD1-CD1 3.92Å; L145-L200 HydrophobicContact CD1-CD2 4.08Å; L145-L200 HydrophobicContact CD2-CD2 4Å; I182-L200 HydrophobicContact CD1-CD1 3.99Å; I182-L200 HydrophobicContact CG1-CD1 4.33Å; L200-F202 PolarHBondContact O-N 2.85Å; L200-L235 HydrophobicContact CD1-CD1 3.97Å; L200-L235 HydrophobicContact CD2-CD1 4.18Å; L200-L235 HydrophobicContact CG-CD1 4.15Å; L200-L242 HydrophobicContact CD2-CD1 4.07Å; L200-L242 HydrophobicContact CD2-CD2 4.08Å
201L98.7Very high98Very high10 Ų1036.8 Ų36.85%0.05221%0.206CC..EExtended strand (participates in β ladder)trans-77.6108.5178.6-64.5175.7000109.3N120 I182 A204 L206 L209 V232 N234 L235N120-L201 HydrophobicContact CB-CD2 4.38Å; I182-L201 PolarHBondContact O-N 2.88Å; L201-A204 HydrophobicContact CD2-CB 3.77Å; L201-L206 HydrophobicContact CD1-CD2 4.33Å; L201-L209 HydrophobicContact CD1-CD1 4.36Å; L201-L209 HydrophobicContact CD2-CD1 4.16Å; L201-V232 HydrophobicContact CD1-CB 3.88Å; L201-V232 HydrophobicContact CD1-CG1 4.23Å; L201-V232 HydrophobicContact CD1-CG2 4.47Å; L201-N234 WeakPolarHBondContact O-CA 3.37Å; L201-L235 WeakPolarHBondContact O-CG 3.37Å; L201-L235 PolarHBondContact O-N 2.89Å
202F98.2Very high98.1Very high8 Ų832 Ų324%0.03517%0.173CC..SBendtrans-114.7-29.6178.372.9-94.8000113L118 G119 L121 L200 L235 N236 L237 I239 L242L118-F202 WeakPolarHBondContact O-CZ 3.29Å; G119-F202 WeakPolarHBondContact O-CD1 3.45Å; G119-F202 WeakPolarHBondContact O-CE1 3.48Å; G119-F202 PolarHBondContact O-N 3.47Å; L121-F202 HydrophobicContact CB-CD1 4.01Å; L121-F202 HydrophobicContact CB-CE1 4.04Å; L200-F202 PolarHBondContact O-N 2.85Å; F202-L235 HydrophobicContact CB-CB 4.39Å; F202-N236 WeakPolarHBondContact O-CA 3.31Å; F202-N236 PolarHBondContact O-N 3.34Å; F202-L237 WeakPolarHBondContact CD2-O 3.32Å; F202-L237 PolarHBondContact O-N 2.93Å; F202-I239 HydrophobicContact CE1-CD1 3.86Å; F202-I239 HydrophobicContact CE2-CB 3.86Å; F202-I239 HydrophobicContact CE2-CD1 4.28Å; F202-I239 HydrophobicContact CZ-CB 3.94Å; F202-I239 HydrophobicContact CZ-CD1 3.65Å; F202-I239 HydrophobicContact CZ-CG1 4.13Å; F202-L242 HydrophobicContact CB-CD2 3.81Å; F202-L242 HydrophobicContact CD1-CD2 3.93Å; F202-L242 HydrophobicContact CG-CD2 3.89Å
203D98.3Very high98.2Very high105 Ų10531.4 Ų31.456%0.56117%0.17SC*.SBendtrans-162.738.8175.2-165.627.7000112.3G119 N234G119-D203 VanDerWaalsContact CA-C 3.5Å; G119-D203 WeakPolarHBondContact CA-O 3.25Å; G119-D203 PolarHBondContact O-N 3.08Å; D203-N234 PolarHBondContact N-OD1 2.88Å
204A98.4Very high98.2Very high5 Ų535.1 Ų35.14%0.04119%0.186CC..  trans-77.1155-177.100000112.5D117 G119 N120 L201 L206 N234D117-A204 WeakPolarHBondContact OD1-CA 3.45Å; D117-A204 WeakPolarHBondContact OD1-CB 3.46Å; G119-A204 PolarHBondContact O-N 3.02Å; N120-A204 HydrophobicContact CB-CB 4.46Å; L201-A204 HydrophobicContact CD2-CB 3.77Å; A204-L206 PolarHBondContact O-N 3.36Å; A204-N234 VanDerWaalsContact N-CG 3.3Å; A204-N234 PolarHBondContact N-ND2 3.16Å; A204-N234 VanDerWaalsContact N-ND2 3.17Å; A204-N234 PolarHBondContact N-OD1 3.48Å; A204-N234 PolarHBondContact O-ND2 2.96Å
205N98.5Very high98.2Very high66 Ų6636.8 Ų36.835%0.35320%0.197SC..  trans-73.295.9172-173.2-32.8000110.9D117 N207 N208 L209D117-N205 PolarHBondContact OD2-N 3.45Å; N205-N207 VanDerWaalsContact C-N 3.26Å; N205-N207 PolarHBondContact O-N 2.87Å; N205-N207 WeakPolarHBondContact OD1-CB 3.4Å; N205-N207 PolarHBondContact OD1-N 2.7Å; N205-N207 VanDerWaalsContact OD1-N 3.11Å; N205-N208 HydrophobicContact CB-CB 4.13Å; N205-N208 PolarHBondContact ND2-ND2 3.4Å; N205-N208 PolarHBondContact O-N 2.98Å; N205-N208 PolarHBondContact OD1-N 2.82Å; N205-L209 PolarHBondContact O-N 2.58Å
206L98.2Very high98.1Very high52 Ų5237.8 Ų37.827%0.27220%0.203SC..Hα-helixtrans-67.3-23.5-177.3-57.9-175.5000113.5L201 A204 L209 S210 V232L201-L206 HydrophobicContact CD1-CD2 4.33Å; A204-L206 PolarHBondContact O-N 3.36Å; L206-L209 HydrophobicContact CD2-CD1 4.37Å; L206-S210 WeakPolarHBondContact O-CB 3.49Å; L206-S210 PolarHBondContact O-N 2.76Å; L206-V232 HydrophobicContact CD2-CG2 4.15Å
207N98.2Very high98Very high126 Ų12637.8 Ų37.867%0.67420%0.203SC*.Hα-helixtrans-69.5-48.5173.8-68.6-21.6000110.4N205 L209 S210 E211N205-N207 VanDerWaalsContact C-N 3.26Å; N205-N207 PolarHBondContact O-N 2.87Å; N205-N207 WeakPolarHBondContact OD1-CB 3.4Å; N205-N207 PolarHBondContact OD1-N 2.7Å; N205-N207 VanDerWaalsContact OD1-N 3.11Å; N207-L209 VanDerWaalsContact C-N 3.29Å; N207-L209 PolarHBondContact O-N 3.22Å; N207-S210 PolarHBondContact O-N 2.85Å; N207-E211 WeakPolarHBondContact O-CB 3.39Å; N207-E211 WeakPolarHBondContact O-CG 2.91Å; N207-E211 PolarHBondContact O-N 2.99Å
208N98.4Very high97.7Very high46 Ų4642.1 Ų42.125%0.24623%0.23CC..Hα-helixtrans-59.2-43.3175.1-72.2-3.3000111.1W102 Y115 N205 S210 E211 V212W102-N208 HydrophobicContact CH2-CB 3.77Å; W102-N208 HydrophobicContact CZ2-CB 4.3Å; W102-N208 WeakPolarHBondContact CZ2-ND2 3.38Å; Y115-N208 HydrophobicContact CE1-CB 4.12Å; Y115-N208 HydrophobicContact CE2-CB 4.06Å; Y115-N208 PolarHBondContact OH-ND2 3.05Å; N205-N208 HydrophobicContact CB-CB 4.13Å; N205-N208 PolarHBondContact ND2-ND2 3.4Å; N205-N208 PolarHBondContact O-N 2.98Å; N205-N208 PolarHBondContact OD1-N 2.82Å; N208-S210 PolarHBondContact O-N 3.15Å; N208-E211 PolarHBondContact O-N 3.03Å; N208-V212 VanDerWaalsContact O-CB 3.27Å; N208-V212 WeakPolarHBondContact O-CB 3.43Å; N208-V212 VanDerWaalsContact O-CG1 3.22Å; N208-V212 WeakPolarHBondContact O-CG1 3.16Å; N208-V212 PolarHBondContact O-N 2.96Å
209L98.2Very high97.5Very high22 Ų2246 Ų4612%0.11525%0.251CS..Hα-helixtrans-55.8-50.8174.5-176.6157.3000111.3Y115 L201 N205 L206 N207 L213 V232Y115-L209 HydrophobicContact CD1-CB 3.74Å; Y115-L209 HydrophobicContact CD1-CD1 4.47Å; Y115-L209 HydrophobicContact CD1-CG 4.36Å; Y115-L209 HydrophobicContact CG-CB 4.14Å; L201-L209 HydrophobicContact CD1-CD1 4.36Å; L201-L209 HydrophobicContact CD2-CD1 4.16Å; N205-L209 PolarHBondContact O-N 2.58Å; L206-L209 HydrophobicContact CD2-CD1 4.37Å; N207-L209 VanDerWaalsContact C-N 3.29Å; N207-L209 PolarHBondContact O-N 3.22Å; L209-L213 HydrophobicContact CD2-CD1 3.89Å; L209-L213 HydrophobicContact CG-CD1 4.13Å; L209-L213 WeakPolarHBondContact O-CB 3.49Å; L209-L213 WeakPolarHBondContact O-CG 3.45Å; L209-L213 PolarHBondContact O-N 3.38Å; L209-V232 HydrophobicContact CD2-CG2 4.24Å
210S97.4Very high97.4Very high60 Ų6045.5 Ų45.542%0.4225%0.248SC..Hα-helixtrans-63.5-44.2-178.2-175.90000112.4L206 N207 N208L206-S210 WeakPolarHBondContact O-CB 3.49Å; L206-S210 PolarHBondContact O-N 2.76Å; N207-S210 PolarHBondContact O-N 2.85Å; N208-S210 PolarHBondContact O-N 3.15Å
211E97.9Very high97.4Very high82 Ų8250.7 Ų50.738%0.38327%0.27SS..Hα-helixtrans-72.1-40.6-176.6-69.9-55.2123.800112.9L96 N207 N208 L213 K214L96-E211 HydrophobicContact CD2-CB 3.85Å; N207-E211 WeakPolarHBondContact O-CB 3.39Å; N207-E211 WeakPolarHBondContact O-CG 2.91Å; N207-E211 PolarHBondContact O-N 2.99Å; N208-E211 PolarHBondContact O-N 3.03Å; E211-L213 VanDerWaalsContact C-N 3.34Å; E211-L213 PolarHBondContact O-N 2.83Å; E211-K214 PolarHBondContact O-N 3.11Å; E211-K214 WeakPolarHBondContact OE1-CE 3.4Å; E211-K214 IonicContact OE1-NZ 3.72Å; E211-K214 PolarHBondContact OE1-NZ 3.1Å; E211-K214 WeakPolarHBondContact OE2-CE 3.09Å; E211-K214 IonicContact OE2-NZ 2.78Å; E211-K214 PolarHBondContact OE2-NZ 3.16Å
212V98.2Very high97.3Very high0 Ų051.7 Ų51.70%028%0.277CS..Hα-helixtrans-74.2-26.4-175.981.40000113I80 V92 N93 L96 I97 W102 Y115 N208 K214I80-V212 HydrophobicContact CD1-CG2 3.96Å; I80-V212 HydrophobicContact CG1-CG1 4.08Å; I80-V212 HydrophobicContact CG1-CG2 3.7Å; V92-V212 CarbonylContact C-O 3.44Å; V92-V212 VanDerWaalsContact CA-O 3.23Å; V92-V212 WeakPolarHBondContact CA-O 3.36Å; N93-V212 PolarHBondContact N-O 3.36Å; L96-V212 HydrophobicContact CD2-CB 4.15Å; L96-V212 HydrophobicContact CD2-CG2 4.4Å; I97-V212 HydrophobicContact CD1-CG2 4.04Å; I97-V212 HydrophobicContact CG1-CG2 3.51Å; W102-V212 HydrophobicContact CE3-CG2 3.93Å; W102-V212 HydrophobicContact CZ3-CB 3.99Å; W102-V212 HydrophobicContact CZ3-CG2 3.84Å; Y115-V212 HydrophobicContact CD2-CG1 3.84Å; Y115-V212 HydrophobicContact CG-CG1 4.21Å; N208-V212 VanDerWaalsContact O-CB 3.27Å; N208-V212 WeakPolarHBondContact O-CB 3.43Å; N208-V212 VanDerWaalsContact O-CG1 3.22Å; N208-V212 WeakPolarHBondContact O-CG1 3.16Å; N208-V212 PolarHBondContact O-N 2.96Å; V212-K214 PolarHBondContact O-N 2.84Å
213L97.6Very high97.2Very high35 Ų3561.1 Ų61.118%0.18332%0.318CS..THydrogen-bonded Turntrans-85.513.4178.7-60.7-177.3000113.1I80 E91 T113 L209 E211 R229I80-L213 HydrophobicContact CG2-CD2 4.45Å; E91-L213 CarbonylContact O-C 3.52Å; E91-L213 WeakPolarHBondContact O-CA 3.38Å; T113-L213 HydrophobicContact CG2-CD2 3.48Å; T113-L213 VanDerWaalsContact CG2-CD2 3.48Å; L209-L213 HydrophobicContact CD2-CD1 3.89Å; L209-L213 HydrophobicContact CG-CD1 4.13Å; L209-L213 WeakPolarHBondContact O-CB 3.49Å; L209-L213 WeakPolarHBondContact O-CG 3.45Å; L209-L213 PolarHBondContact O-N 3.38Å; E211-L213 VanDerWaalsContact C-N 3.34Å; E211-L213 PolarHBondContact O-N 2.83Å; L213-R229 PolarHBondContact O-NH2 2.96Å
214K96.9Very high97.1Very high78 Ų7856.6 Ų56.634%0.33930%0.295SS..SBendtrans-79.9135.7168.7-67177.9-176.5171.70110.1V92 N93 E211 V212V92-K214 CarbonylContact C-O 3.43Å; V92-K214 WeakPolarHBondContact CA-O 3.26Å; N93-K214 WeakPolarHBondContact CA-O 3.46Å; N93-K214 PolarHBondContact N-O 3.47Å; E211-K214 PolarHBondContact O-N 3.11Å; E211-K214 WeakPolarHBondContact OE1-CE 3.4Å; E211-K214 IonicContact OE1-NZ 3.72Å; E211-K214 PolarHBondContact OE1-NZ 3.1Å; E211-K214 WeakPolarHBondContact OE2-CE 3.09Å; E211-K214 IonicContact OE2-NZ 2.78Å; E211-K214 PolarHBondContact OE2-NZ 3.16Å; V212-K214 PolarHBondContact O-N 2.84Å
215P97.3Very high96.9Very high36 Ų3659.2 Ų59.223%0.23431%0.31CS..  trans-59141.3178.223.3-33.6000111.9K90 F217 V218K90-P215 VanDerWaalsContact O-CB 3.3Å; K90-P215 WeakPolarHBondContact O-CB 3.36Å; P215-F217 VanDerWaalsContact C-N 3.34Å; P215-V218 HydrophobicContact CG-CG2 4.11Å
216T97Very high96.8Very high22 Ų2259.9 Ų59.914%0.13531%0.314CS..SBendtrans-67-40.1166.3-61.20000110.1W89 V92 L94 L410W89-T216 WeakPolarHBondContact O-CB 3.06Å; W89-T216 PolarHBondContact O-N 2.7Å; V92-T216 PolarHBondContact O-N 2.89Å; V92-T216 PolarHBondContact O-OG1 3.12Å; L94-T216 PolarHBondContact N-OG1 2.88Å; T216-L410 HydrophobicContact CG2-CB 4.24Å; T216-L410 VanDerWaalsContact CG2-O 3.23Å; T216-L410 WeakPolarHBondContact CG2-O 3.38Å
217F97.1Very high96.6Very high0 Ų059 Ų590%031%0.313CS..SBendtrans-119.9101.8177.9-60.5-96.6000110.1W89 P215 N219 L220 L306 Y311 I407 L410 F411W89-F217 HydrophobicContact CB-CD2 3.69Å; W89-F217 HydrophobicContact CB-CE2 4.07Å; W89-F217 AromaticContact CD1-CE2 3.81Å; W89-F217 HydrophobicContact CG-CD2 4.29Å; W89-F217 HydrophobicContact CG-CE2 4.17Å; W89-F217 PolarHBondContact O-N 3.01Å; P215-F217 VanDerWaalsContact C-N 3.34Å; F217-N219 PolarHBondContact O-N 3.15Å; F217-L220 HydrophobicContact CB-CB 3.86Å; F217-L220 HydrophobicContact CB-CD1 4.07Å; F217-L220 WeakPolarHBondContact O-CB 3.03Å; F217-L220 PolarHBondContact O-N 2.98Å; F217-L306 HydrophobicContact CB-CD2 3.89Å; F217-L306 HydrophobicContact CD1-CD1 3.62Å; F217-L306 HydrophobicContact CD1-CD2 3.83Å; F217-L306 HydrophobicContact CD1-CG 4.41Å; F217-L306 HydrophobicContact CE1-CD1 3.68Å; F217-L306 HydrophobicContact CG-CD1 4.35Å; F217-L306 HydrophobicContact CG-CD2 4.04Å; F217-L306 HydrophobicContact CZ-CD1 4.41Å; F217-Y311 AromaticContact CD1-CE1 3.69Å; F217-Y311 HydrophobicContact CD1-CE1 3.69Å; F217-Y311 AromaticContact CD1-CZ 3.61Å; F217-Y311 WeakPolarHBondContact CD1-OH 3.26Å; F217-Y311 HydrophobicContact CE1-CE1 4.17Å; F217-I407 HydrophobicContact CE1-CG2 4.07Å; F217-I407 HydrophobicContact CZ-CG2 4.45Å; F217-L410 HydrophobicContact CE1-CB 3.94Å; F217-L410 HydrophobicContact CE1-CD1 4.1Å; F217-L410 HydrophobicContact CE2-CB 4.28Å; F217-L410 HydrophobicContact CZ-CB 3.56Å; F217-F411 HydrophobicContact CD2-CE1 4.32Å; F217-F411 HydrophobicContact CE1-CE1 4.24Å; F217-F411 HydrophobicContact CE1-CZ 4.48Å; F217-F411 AromaticContact CE2-CD1 3.38Å; F217-F411 HydrophobicContact CE2-CD1 3.38Å; F217-F411 AromaticContact CE2-CE1 3.43Å; F217-F411 HydrophobicContact CE2-CE1 3.43Å; F217-F411 VanDerWaalsContact CE2-CE1 3.43Å; F217-F411 HydrophobicContact CE2-CG 4.33Å; F217-F411 HydrophobicContact CE2-CZ 4.4Å; F217-F411 AromaticContact CZ-CD1 3.4Å; F217-F411 HydrophobicContact CZ-CD1 3.4Å; F217-F411 VanDerWaalsContact CZ-CD1 3.4Å; F217-F411 AromaticContact CZ-CE1 3.39Å; F217-F411 HydrophobicContact CZ-CE1 3.39Å; F217-F411 HydrophobicContact CZ-CE2 4.46Å; F217-F411 HydrophobicContact CZ-CG 4.01Å; F217-F411 AromaticContact CZ-CZ 3.95Å; F217-F411 HydrophobicContact CZ-CZ 3.95Å
218V92.6Very high96.4Very high111 Ų11158.5 Ų58.567%0.67331%0.309SS*.THydrogen-bonded Turntrans-62.1-41.1-174.9-178.80000112.5P215P215-V218 HydrophobicContact CG-CG2 4.11Å
219N93.2Very high96.1Very high83 Ų8364.3 Ų64.344%0.44433%0.327SS..THydrogen-bonded Turntrans-97.522-174.8-63.8-25000113.2F217 K221 N310F217-N219 PolarHBondContact O-N 3.15Å; N219-K221 PolarHBondContact O-N 3.16Å; N219-N310 VanDerWaalsContact ND2-CG 3.33Å; N219-N310 PolarHBondContact ND2-OD1 2.89Å
220L96.9Very high95.9Very high7 Ų764.8 Ų64.84%0.03733%0.332CS..  trans-69.4120.3179.5-175.3160.4000111.2W89 K90 F217 T222 F304 L306W89-L220 HydrophobicContact CB-CD1 3.72Å; K90-L220 HydrophobicContact CB-CD1 4.44Å; K90-L220 HydrophobicContact CB-CD2 4.13Å; K90-L220 HydrophobicContact CD-CD2 4.18Å; K90-L220 HydrophobicContact CG-CD2 4.47Å; F217-L220 HydrophobicContact CB-CB 3.86Å; F217-L220 HydrophobicContact CB-CD1 4.07Å; F217-L220 WeakPolarHBondContact O-CB 3.03Å; F217-L220 PolarHBondContact O-N 2.98Å; L220-T222 HydrophobicContact CD2-CG2 3.49Å; L220-T222 VanDerWaalsContact CD2-CG2 3.49Å; L220-F304 HydrophobicContact CD1-CD2 3.59Å; L220-F304 HydrophobicContact CD1-CE2 3.94Å; L220-F304 HydrophobicContact CD1-CG 4.14Å; L220-F304 HydrophobicContact CD2-CB 3.57Å; L220-F304 HydrophobicContact CD2-CD2 4.15Å; L220-F304 HydrophobicContact CD2-CG 4.09Å; L220-F304 HydrophobicContact CG-CB 4.08Å; L220-F304 HydrophobicContact CG-CD2 3.71Å; L220-F304 HydrophobicContact CG-CE2 4.5Å; L220-F304 HydrophobicContact CG-CG 4.18Å; L220-L306 HydrophobicContact CB-CD2 3.86Å; L220-L306 HydrophobicContact CD1-CD2 4.26Å; L220-L306 HydrophobicContact CG-CD2 3.99Å
221K97.4Very high95.8Very high111 Ų11165.7 Ų65.748%0.48334%0.337SS..EExtended strand (participates in β ladder)trans-91.9123.7177.9-63.7179.5-178.3172.30110.1N219 F304 Q305N219-K221 PolarHBondContact O-N 3.16Å; K221-F304 CarbonylContact O-C 3.59Å; K221-F304 WeakPolarHBondContact O-CA 3.23Å; K221-F304 VanDerWaalsContact O-CB 3.31Å; K221-F304 WeakPolarHBondContact O-CB 3.5Å; K221-Q305 HydrophobicContact CB-CB 4.28Å; K221-Q305 PolarHBondContact N-O 2.87Å; K221-Q305 PolarHBondContact O-N 2.74Å
222T97.6Very high95.8Very high31 Ų3164 Ų6419%0.1933%0.332CS..EExtended strand (participates in β ladder)trans-158.7159179.6-175.70000111.2K90 L220 A224 S303K90-T222 HydrophobicContact CD-CG2 3.64Å; L220-T222 HydrophobicContact CD2-CG2 3.49Å; L220-T222 VanDerWaalsContact CD2-CG2 3.49Å; T222-A224 VanDerWaalsContact C-N 3.31Å; T222-A224 HydrophobicContact CG2-CB 3.67Å; T222-A224 WeakPolarHBondContact OG1-CB 3.32Å; T222-A224 PolarHBondContact OG1-N 2.79Å; T222-A224 VanDerWaalsContact OG1-N 3.1Å; T222-S303 WeakPolarHBondContact CB-O 3.45Å; T222-S303 PolarHBondContact OG1-O 3.36Å
223K96Very high95.7Very high206 Ų20666.2 Ų66.290%0.89634%0.342SS*.  trans-91.19.1168.1-62.7-178.2179.6177.50112.8
224A96.1Very high95.8Very high9 Ų965.2 Ų65.27%0.07434%0.336CS..SBendtrans-60.6155176.900000112.2N87 T222 D226 P302N87-A224 HydrophobicContact CB-CB 3.75Å; T222-A224 VanDerWaalsContact C-N 3.31Å; T222-A224 HydrophobicContact CG2-CB 3.67Å; T222-A224 WeakPolarHBondContact OG1-CB 3.32Å; T222-A224 PolarHBondContact OG1-N 2.79Å; T222-A224 VanDerWaalsContact OG1-N 3.1Å; A224-D226 PolarHBondContact O-N 2.89Å; A224-P302 HydrophobicContact CB-CB 4.04Å; A224-P302 HydrophobicContact CB-CG 3.76Å
225T95Very high95.8Very high60 Ų6061.7 Ų61.737%0.36832%0.321SS..PPolyproline II helixtrans-67.5126.6173.9-58.50000110.1F85 Q86F85-T225 PolarHBondContact O-N 2.88Å; Q86-T225 VanDerWaalsContact CG-O 3.3Å; Q86-T225 WeakPolarHBondContact CG-O 3.35Å; Q86-T225 PolarHBondContact NE2-O 3.24Å
226D95.3Very high95.7Very high80 Ų8065 Ų6543%0.42834%0.337SS..PPolyproline II helixtrans-91.8148.3178.2-67.7-22.8000111.9K90 A224K90-D226 WeakPolarHBondContact CD-OD1 3.44Å; K90-D226 WeakPolarHBondContact CE-OD1 3.32Å; K90-D226 IonicContact NZ-OD1 2.76Å; K90-D226 PolarHBondContact NZ-OD1 2.82Å; K90-D226 IonicContact NZ-OD2 3.58Å; K90-D226 PolarHBondContact NZ-OD2 3.48Å; A224-D226 PolarHBondContact O-N 2.89Å
227S94.9Very high95.6Very high35 Ų3564.9 Ų64.925%0.24534%0.336CS..PPolyproline II helixtrans-70.3129.4164-70.10000111.3Q86 E91 G112 T113 R229Q86-S227 PolarHBondContact NE2-OG 3.42Å; E91-S227 PolarHBondContact OE1-N 2.83Å; E91-S227 VanDerWaalsContact OE2-CB 3.25Å; E91-S227 WeakPolarHBondContact OE2-CB 3.18Å; E91-S227 PolarHBondContact OE2-OG 2.9Å; G112-S227 WeakPolarHBondContact CA-OG 3.21Å; T113-S227 PolarHBondContact N-OG 2.93Å; S227-R229 PolarHBondContact O-N 3.03Å
228I92.9Very high95.6Very high115 Ų11569.5 Ų69.559%0.5936%0.36SS*.  trans-85.1109166.2-63.5165.4000107.5
229R93.1Very high95.8Very high167 Ų16765.7 Ų65.763%0.6334%0.336SS*.  trans-66.4143.9177.2-65.1-173.6176.5-142.9-3.7110.6L213 S227L213-R229 PolarHBondContact O-NH2 2.96Å; S227-R229 PolarHBondContact O-N 3.03Å
230S93.9Very high96Very high33 Ų3368.2 Ų68.223%0.23135%0.345CS..  trans-146.4148.6178.2-55.20000108.7
231P95.3Very high96Very high78 Ų7871.9 Ų71.951%0.50636%0.364SS..  trans-60.4137.416827.9-34.5000109.1M179 M180 K181M179-P231 WeakPolarHBondContact O-CG 3.45Å; M180-P231 HydrophobicContact CG-CB 4.4Å; K181-P231 WeakPolarHBondContact CB-O 3.36Å; K181-P231 PolarHBondContact N-O 3.1Å
232V97.2Very high96.1Very high48 Ų4866.6 Ų66.629%0.29134%0.341SS..BIsolated β-bridgetrans-123.4155.6-175.4-65.90000112K181 L201 L206 L209K181-V232 HydrophobicContact CB-CG1 4.35Å; K181-V232 WeakPolarHBondContact O-CA 3.48Å; L201-V232 HydrophobicContact CD1-CB 3.88Å; L201-V232 HydrophobicContact CD1-CG1 4.23Å; L201-V232 HydrophobicContact CD1-CG2 4.47Å; L206-V232 HydrophobicContact CD2-CG2 4.15Å; L209-V232 HydrophobicContact CD2-CG2 4.24Å
233K97.2Very high96.1Very high45 Ų4566.5 Ų66.520%0.19634%0.339CS..  trans-146.4146.7176.5179.4155.2171.3146.30111.5Y154 I166 M180 K181 I182Y154-K233 WeakPolarHBondContact OH-CE 3.3Å; Y154-K233 PolarHBondContact OH-NZ 2.8Å; I166-K233 HydrophobicContact CD1-CB 4.08Å; I166-K233 HydrophobicContact CD1-CD 3.77Å; I166-K233 HydrophobicContact CD1-CG 3.81Å; M180-K233 HydrophobicContact CB-CB 3.77Å; M180-K233 HydrophobicContact CE-CD 3.62Å; M180-K233 HydrophobicContact CG-CB 4.41Å; M180-K233 HydrophobicContact SD-CB 3.83Å; M180-K233 HydrophobicContact SD-CD 3.7Å; M180-K233 HydrophobicContact SD-CG 4.36Å; K181-K233 PolarHBondContact O-N 2.81Å; K181-K233 VanDerWaalsContact O-N 3.1Å; I182-K233 WeakPolarHBondContact CG2-O 3.08Å
234N98.1Very high96.2Very high14 Ų1461 Ų618%0.07532%0.319CS..  trans-80146.1167.2-76.8-35.7000110.6L201 D203 A204 N236L201-N234 WeakPolarHBondContact O-CA 3.37Å; D203-N234 PolarHBondContact N-OD1 2.88Å; A204-N234 VanDerWaalsContact N-CG 3.3Å; A204-N234 PolarHBondContact N-ND2 3.16Å; A204-N234 VanDerWaalsContact N-ND2 3.17Å; A204-N234 PolarHBondContact N-OD1 3.48Å; A204-N234 PolarHBondContact O-ND2 2.96Å; N234-N236 WeakPolarHBondContact CB-OD1 3.06Å; N234-N236 PolarHBondContact O-N 2.8Å
235L97.1Very high96.3Very high5 Ų561.3 Ų61.33%0.02632%0.321CS..  trans-67.2-21.9169.6-64.5-176.9000113.7L145 L149 L152 I166 I182 L200 L201 F202 L237L145-L235 HydrophobicContact CD1-CD1 4.38Å; L145-L235 HydrophobicContact CD2-CD1 3.87Å; L149-L235 HydrophobicContact CD1-CD2 3.73Å; L149-L235 HydrophobicContact CD2-CB 4.44Å; L149-L235 HydrophobicContact CD2-CD2 3.93Å; L149-L235 HydrophobicContact CG-CD2 4.44Å; L152-L235 WeakPolarHBondContact CD1-O 3.02Å; I166-L235 HydrophobicContact CG2-CD2 4.34Å; I182-L235 HydrophobicContact CB-CD2 4.28Å; I182-L235 HydrophobicContact CD1-CD1 4.47Å; I182-L235 HydrophobicContact CD1-CD2 3.66Å; I182-L235 HydrophobicContact CD1-CG 4.36Å; I182-L235 HydrophobicContact CG2-CD2 3.99Å; L200-L235 HydrophobicContact CD1-CD1 3.97Å; L200-L235 HydrophobicContact CD2-CD1 4.18Å; L200-L235 HydrophobicContact CG-CD1 4.15Å; L201-L235 WeakPolarHBondContact O-CG 3.37Å; L201-L235 PolarHBondContact O-N 2.89Å; F202-L235 HydrophobicContact CB-CB 4.39Å; L235-L237 VanDerWaalsContact C-N 3.32Å; L235-L237 HydrophobicContact CB-CB 4.47Å; L235-L237 HydrophobicContact CB-CD1 3.95Å; L235-L237 HydrophobicContact CB-CG 3.9Å; L235-L237 HydrophobicContact CD1-CD1 3.97Å; L235-L237 PolarHBondContact O-N 3.12Å
236N95.4Very high96.4Very high105 Ų10558.5 Ų58.556%0.56130%0.304SS*.  trans56.144.3-174.1-55.1-38.6000112.5F202 N234F202-N236 WeakPolarHBondContact O-CA 3.31Å; F202-N236 PolarHBondContact O-N 3.34Å; N234-N236 WeakPolarHBondContact CB-OD1 3.06Å; N234-N236 PolarHBondContact O-N 2.8Å
237L95.6Very high96.6Very high20 Ų2055.9 Ų55.911%0.10529%0.29CS..  trans-107.2146.6179.1-66.2176.3000110.8L148 L149 L152 F202 L235L148-L237 HydrophobicContact CB-CD1 4.05Å; L148-L237 HydrophobicContact CD1-CD1 4.1Å; L149-L237 HydrophobicContact CD2-CD1 4.14Å; L152-L237 HydrophobicContact CD1-CD2 4.27Å; F202-L237 WeakPolarHBondContact CD2-O 3.32Å; F202-L237 PolarHBondContact O-N 2.93Å; L235-L237 VanDerWaalsContact C-N 3.32Å; L235-L237 HydrophobicContact CB-CB 4.47Å; L235-L237 HydrophobicContact CB-CD1 3.95Å; L235-L237 HydrophobicContact CB-CG 3.9Å; L235-L237 HydrophobicContact CD1-CD1 3.97Å; L235-L237 PolarHBondContact O-N 3.12Å
238N96Very high96.7Very high96 Ų9660.6 Ų60.651%0.51331%0.308SS..  trans-65.7136.5169.9-179.7-72.5000110.3E240 L241 L242N238-E240 VanDerWaalsContact C-N 3.35Å; N238-E240 PolarHBondContact O-N 3.24Å; N238-E240 WeakPolarHBondContact OD1-CA 3.5Å; N238-E240 VanDerWaalsContact OD1-CB 3.3Å; N238-E240 WeakPolarHBondContact OD1-CB 3.31Å; N238-E240 PolarHBondContact OD1-N 3.17Å; N238-L241 HydrophobicContact CB-CB 4.33Å; N238-L241 PolarHBondContact O-N 2.85Å; N238-L241 PolarHBondContact OD1-N 3.43Å; N238-L242 PolarHBondContact O-N 3.46Å
239I97.2Very high96.9Very high31 Ų3158 Ų5816%0.15930%0.295CS..Hα-helixtrans-62.2-36.6-178-179.762.4000113.7F202 L242 L243F202-I239 HydrophobicContact CE1-CD1 3.86Å; F202-I239 HydrophobicContact CE2-CB 3.86Å; F202-I239 HydrophobicContact CE2-CD1 4.28Å; F202-I239 HydrophobicContact CZ-CB 3.94Å; F202-I239 HydrophobicContact CZ-CD1 3.65Å; F202-I239 HydrophobicContact CZ-CG1 4.13Å; I239-L242 PolarHBondContact O-N 2.89Å; I239-L243 HydrophobicContact CD1-CD1 3.92Å; I239-L243 HydrophobicContact CD1-CD2 4.36Å; I239-L243 HydrophobicContact CD1-CG 3.73Å; I239-L243 HydrophobicContact CG1-CD1 3.81Å; I239-L243 HydrophobicContact CG1-CG 4.08Å; I239-L243 WeakPolarHBondContact O-CB 3.41Å; I239-L243 WeakPolarHBondContact O-CG 3.5Å; I239-L243 PolarHBondContact O-N 3.3Å
240E97.9Very high97.1Very high137 Ų13750 Ų5064%0.6427%0.265SS*.Hα-helixtrans-66.8-43.7179.8-59.7-177.8169.700110.4N238 L242 L243 N244N238-E240 VanDerWaalsContact C-N 3.35Å; N238-E240 PolarHBondContact O-N 3.24Å; N238-E240 WeakPolarHBondContact OD1-CA 3.5Å; N238-E240 VanDerWaalsContact OD1-CB 3.3Å; N238-E240 WeakPolarHBondContact OD1-CB 3.31Å; N238-E240 PolarHBondContact OD1-N 3.17Å; E240-L242 VanDerWaalsContact C-N 3.34Å; E240-L242 PolarHBondContact O-N 2.9Å; E240-L243 PolarHBondContact O-N 3.01Å; E240-N244 VanDerWaalsContact O-CB 3.29Å; E240-N244 WeakPolarHBondContact O-CB 3.23Å; E240-N244 PolarHBondContact O-N 2.95Å; E240-N244 PolarHBondContact O-ND2 2.96Å
241L97.4Very high97.2Very high84 Ų8450.7 Ų50.744%0.4427%0.266SS..Hα-helixtrans-59-46.7174177.764.6000111.2L148 N238 S245L148-L241 HydrophobicContact CD2-CD1 4.29Å; L148-L241 HydrophobicContact CD2-CD2 4.36Å; L148-L241 HydrophobicContact CD2-CG 4.25Å; N238-L241 HydrophobicContact CB-CB 4.33Å; N238-L241 PolarHBondContact O-N 2.85Å; N238-L241 PolarHBondContact OD1-N 3.43Å; L241-S245 WeakPolarHBondContact O-CB 3.15Å; L241-S245 PolarHBondContact O-N 3.42Å; L241-S245 PolarHBondContact O-OG 3.49Å
242L97.9Very high97.2Very high0 Ų052.9 Ų52.90%027%0.267CS..Hα-helixtrans-63.3-48.6179.8179.859.9000111.8L121 L145 L148 L200 F202 N238 I239 E240 S245 I246L121-L242 HydrophobicContact CD2-CD2 3.91Å; L121-L242 HydrophobicContact CD2-CG 4.09Å; L145-L242 HydrophobicContact CD2-CD1 3.59Å; L148-L242 HydrophobicContact CD1-CD1 4.48Å; L200-L242 HydrophobicContact CD2-CD1 4.07Å; L200-L242 HydrophobicContact CD2-CD2 4.08Å; F202-L242 HydrophobicContact CB-CD2 3.81Å; F202-L242 HydrophobicContact CD1-CD2 3.93Å; F202-L242 HydrophobicContact CG-CD2 3.89Å; N238-L242 PolarHBondContact O-N 3.46Å; I239-L242 PolarHBondContact O-N 2.89Å; E240-L242 VanDerWaalsContact C-N 3.34Å; E240-L242 PolarHBondContact O-N 2.9Å; L242-S245 PolarHBondContact O-N 3.21Å; L242-I246 HydrophobicContact CD1-CD1 3.8Å; L242-I246 HydrophobicContact CD1-CG1 4.35Å; L242-I246 HydrophobicContact CG-CD1 3.96Å; L242-I246 WeakPolarHBondContact O-CG1 3.5Å; L242-I246 PolarHBondContact O-N 2.63Å
243L98.2Very high97.1Very high28 Ų2852.2 Ų52.215%0.14726%0.26CS..Hα-helixtrans-63.5-46179-75.3175.4000111.7L73 L121 I239 E240 S245 I246 I247L73-L243 HydrophobicContact CB-CD2 4.34Å; L73-L243 HydrophobicContact CD1-CD2 4.02Å; L121-L243 HydrophobicContact CD1-CD2 4.03Å; L121-L243 HydrophobicContact CD2-CD2 4.18Å; I239-L243 HydrophobicContact CD1-CD1 3.92Å; I239-L243 HydrophobicContact CD1-CD2 4.36Å; I239-L243 HydrophobicContact CD1-CG 3.73Å; I239-L243 HydrophobicContact CG1-CD1 3.81Å; I239-L243 HydrophobicContact CG1-CG 4.08Å; I239-L243 WeakPolarHBondContact O-CB 3.41Å; I239-L243 WeakPolarHBondContact O-CG 3.5Å; I239-L243 PolarHBondContact O-N 3.3Å; E240-L243 PolarHBondContact O-N 3.01Å; L243-S245 VanDerWaalsContact C-N 3.31Å; L243-S245 PolarHBondContact O-N 2.99Å; L243-I246 PolarHBondContact O-N 2.8Å; L243-I247 HydrophobicContact CB-CD1 4.39Å; L243-I247 WeakPolarHBondContact O-CB 3.24Å; L243-I247 WeakPolarHBondContact O-CD1 3.27Å; L243-I247 WeakPolarHBondContact O-CG1 3.19Å; L243-I247 PolarHBondContact O-N 2.9Å
244N98.2Very high97Very high90 Ų9050 Ų5048%0.48125%0.25SS..Hα-helixtrans-59.8-44.6178.6-70-14.7000110.7E240 I246 I247 E248E240-N244 VanDerWaalsContact O-CB 3.29Å; E240-N244 WeakPolarHBondContact O-CB 3.23Å; E240-N244 PolarHBondContact O-N 2.95Å; E240-N244 PolarHBondContact O-ND2 2.96Å; N244-I246 PolarHBondContact O-N 2.81Å; N244-I247 PolarHBondContact O-N 2.79Å; N244-E248 WeakPolarHBondContact O-CB 3.33Å; N244-E248 WeakPolarHBondContact O-CG 3.46Å; N244-E248 PolarHBondContact O-N 3.37Å
245S98.2Very high96.8Very high16 Ų1652.7 Ų52.711%0.11227%0.27CS..Hα-helixtrans-61.6-44.4178.3-56.70000112.1L241 L242 L243 N249L241-S245 WeakPolarHBondContact O-CB 3.15Å; L241-S245 PolarHBondContact O-N 3.42Å; L241-S245 PolarHBondContact O-OG 3.49Å; L242-S245 PolarHBondContact O-N 3.21Å; L243-S245 VanDerWaalsContact C-N 3.31Å; L243-S245 PolarHBondContact O-N 2.99Å; S245-N249 WeakPolarHBondContact O-CB 3.34Å; S245-N249 PolarHBondContact O-N 3.37Å; S245-N249 VanDerWaalsContact O-N 3.16Å; S245-N249 PolarHBondContact O-ND2 2.84Å
246I98.4Very high96.5Very high2 Ų258.5 Ų58.51%0.0130%0.297CS..Hα-helixtrans-66.9-40.3177.6-67.5165.5000111.3L73 L121 I123 V144 L242 L243 N244 G250L73-I246 HydrophobicContact CD1-CG2 3.97Å; L73-I246 HydrophobicContact CD2-CG2 3.83Å; L121-I246 HydrophobicContact CD2-CD1 3.51Å; I123-I246 HydrophobicContact CD1-CD1 3.82Å; V144-I246 HydrophobicContact CG1-CG1 3.87Å; L242-I246 HydrophobicContact CD1-CD1 3.8Å; L242-I246 HydrophobicContact CD1-CG1 4.35Å; L242-I246 HydrophobicContact CG-CD1 3.96Å; L242-I246 WeakPolarHBondContact O-CG1 3.5Å; L242-I246 PolarHBondContact O-N 2.63Å; L243-I246 PolarHBondContact O-N 2.8Å; N244-I246 PolarHBondContact O-N 2.81Å; I246-G250 VanDerWaalsContact O-CA 3.32Å; I246-G250 WeakPolarHBondContact O-CA 3.39Å; I246-G250 PolarHBondContact O-N 3.05Å
247I98.4Very high96.3Very high24 Ų2456.5 Ų56.512%0.12329%0.286CS..Hα-helixtrans-66.9-52.5-179.4-70.4162.4000110.5I34 L73 L243 N244 G250 L251 V266I34-I247 HydrophobicContact CD1-CD1 3.69Å; L73-I247 HydrophobicContact CD1-CG1 3.97Å; L243-I247 HydrophobicContact CB-CD1 4.39Å; L243-I247 WeakPolarHBondContact O-CB 3.24Å; L243-I247 WeakPolarHBondContact O-CD1 3.27Å; L243-I247 WeakPolarHBondContact O-CG1 3.19Å; L243-I247 PolarHBondContact O-N 2.9Å; N244-I247 PolarHBondContact O-N 2.79Å; I247-G250 PolarHBondContact O-N 3.39Å; I247-L251 HydrophobicContact CG2-CD1 4.09Å; I247-L251 HydrophobicContact CG2-CG 4.5Å; I247-L251 VanDerWaalsContact O-CG 3.28Å; I247-L251 WeakPolarHBondContact O-CG 3.47Å; I247-L251 PolarHBondContact O-N 3.1Å; I247-V266 HydrophobicContact CD1-CG1 4.45Å; I247-V266 HydrophobicContact CG2-CG1 4.34Å; I247-V266 HydrophobicContact CG2-CG2 3.64Å
248E97.3Very high96Very high134 Ų13456 Ų5663%0.62628%0.284SS*.Hα-helixtrans-60.5-49.6-178-72.6176.9-175.900111.6N244 G250 L251 K252N244-E248 WeakPolarHBondContact O-CB 3.33Å; N244-E248 WeakPolarHBondContact O-CG 3.46Å; N244-E248 PolarHBondContact O-N 3.37Å; E248-G250 VanDerWaalsContact C-N 3.32Å; E248-G250 PolarHBondContact O-N 2.97Å; E248-L251 PolarHBondContact O-N 3.48Å; E248-K252 PolarHBondContact O-N 3.29Å; E248-K252 VanDerWaalsContact O-N 3.15Å
249N97.8Very high95.4Very high61 Ų6157.5 Ų57.533%0.32630%0.302SS..Hα-helixtrans-69.7-31.7177.9-71.9-80.1000112.1F140 V144 S245 K252 W253F140-N249 HydrophobicContact CE2-CB 4.12Å; V144-N249 HydrophobicContact CG2-CB 3.49Å; V144-N249 VanDerWaalsContact CG2-CB 3.49Å; S245-N249 WeakPolarHBondContact O-CB 3.34Å; S245-N249 PolarHBondContact O-N 3.37Å; S245-N249 VanDerWaalsContact O-N 3.16Å; S245-N249 PolarHBondContact O-ND2 2.84Å; N249-K252 PolarHBondContact O-N 3.22Å; N249-W253 WeakPolarHBondContact O-CB 3.43Å; N249-W253 PolarHBondContact O-N 3.06Å
250G97.2Very high94.6Very high0 Ų059.7 Ų59.70%031%0.313CS..Hα-helixtrans-65.3-42.5175.300000112.4I246 I247 E248 K252 W253 I254I246-G250 VanDerWaalsContact O-CA 3.32Å; I246-G250 WeakPolarHBondContact O-CA 3.39Å; I246-G250 PolarHBondContact O-N 3.05Å; I247-G250 PolarHBondContact O-N 3.39Å; E248-G250 VanDerWaalsContact C-N 3.32Å; E248-G250 PolarHBondContact O-N 2.97Å; G250-K252 VanDerWaalsContact C-N 3.33Å; G250-W253 PolarHBondContact O-N 3.19Å; G250-I254 WeakPolarHBondContact O-CB 3.48Å; G250-I254 WeakPolarHBondContact O-CG1 3.22Å; G250-I254 PolarHBondContact O-N 2.86Å
251L96.2Very high93.7Very high46 Ų4653.7 Ų53.724%0.24129%0.285CS..Hα-helixtrans-63.4-40.4174.5-68.1171.4000111.5I32 I247 E248 S255 P264 V266I32-L251 HydrophobicContact CD1-CD2 4.12Å; I32-L251 HydrophobicContact CD1-CG 4.09Å; I247-L251 HydrophobicContact CG2-CD1 4.09Å; I247-L251 HydrophobicContact CG2-CG 4.5Å; I247-L251 VanDerWaalsContact O-CG 3.28Å; I247-L251 WeakPolarHBondContact O-CG 3.47Å; I247-L251 PolarHBondContact O-N 3.1Å; E248-L251 PolarHBondContact O-N 3.48Å; L251-S255 WeakPolarHBondContact O-CB 3.45Å; L251-S255 PolarHBondContact O-N 3.3Å; L251-S255 PolarHBondContact O-OG 3.03Å; L251-P264 HydrophobicContact CB-CG 4.48Å; L251-P264 HydrophobicContact CD2-CB 3.8Å; L251-P264 HydrophobicContact CD2-CG 3.71Å; L251-P264 WeakPolarHBondContact CD2-O 3.44Å; L251-V266 HydrophobicContact CD1-CG2 3.93Å; L251-V266 HydrophobicContact CD2-CG2 3.92Å; L251-V266 HydrophobicContact CG-CG2 4.23Å
252K94.7Very high92.5Very high125 Ų12554.9 Ų54.954%0.54330%0.301SS..Hα-helixtrans-62.1-50.8173.4-178.9-179.5172.2-174.50111.4E248 N249 G250 I254 S255 E256E248-K252 PolarHBondContact O-N 3.29Å; E248-K252 VanDerWaalsContact O-N 3.15Å; N249-K252 PolarHBondContact O-N 3.22Å; G250-K252 VanDerWaalsContact C-N 3.33Å; K252-I254 VanDerWaalsContact C-N 3.29Å; K252-I254 PolarHBondContact O-N 2.99Å; K252-S255 PolarHBondContact O-N 3.28Å; K252-S255 VanDerWaalsContact O-N 3.08Å; K252-E256 WeakPolarHBondContact CE-OE1 3.45Å; K252-E256 WeakPolarHBondContact O-CG 3.43Å; K252-E256 PolarHBondContact O-N 3.38Å
253W95Very high91.6Very high33 Ų3361.5 Ų61.513%0.12534%0.336CS..Hα-helixtrans-58.4-41.2178.7-179.667.9000111.9W67 T69 I71 F125 F140 N249 G250 E256 N257W67-W253 HydrophobicContact CH2-CH2 4.39Å; W67-W253 HydrophobicContact CH2-CZ3 4.32Å; W67-W253 HydrophobicContact CZ2-CH2 4.02Å; W67-W253 HydrophobicContact CZ2-CZ2 4.17Å; W67-W253 HydrophobicContact CZ2-CZ3 4.4Å; T69-W253 HydrophobicContact CG2-CE3 4.34Å; T69-W253 HydrophobicContact CG2-CH2 4.47Å; T69-W253 HydrophobicContact CG2-CZ3 3.71Å; I71-W253 HydrophobicContact CD1-CE3 4.12Å; I71-W253 HydrophobicContact CD1-CZ3 4.11Å; F125-W253 HydrophobicContact CD1-CH2 4.25Å; F125-W253 HydrophobicContact CD1-CZ3 4.02Å; F125-W253 HydrophobicContact CE1-CZ3 4.19Å; F140-W253 HydrophobicContact CD2-CB 3.93Å; F140-W253 HydrophobicContact CD2-CD2 4.28Å; F140-W253 AromaticContact CD2-CG 3.91Å; F140-W253 HydrophobicContact CD2-CG 3.91Å; F140-W253 HydrophobicContact CE2-CB 3.98Å; F140-W253 HydrophobicContact CE2-CG 4.39Å; N249-W253 WeakPolarHBondContact O-CB 3.43Å; N249-W253 PolarHBondContact O-N 3.06Å; G250-W253 PolarHBondContact O-N 3.19Å; W253-E256 PolarHBondContact O-N 2.84Å; W253-N257 PolarHBondContact O-N 2.5Å; W253-N257 PolarHBondContact O-ND2 3.4Å
254I95.3Very high90.9Very high0 Ų061.1 Ų61.10%034%0.336CS..Hα-helixtrans-62-48.6173.6-70.4165.5000111.1I32 T69 I71 G250 K252 E256 N257 D258 P264I32-I254 HydrophobicContact CD1-CD1 4.46Å; I32-I254 HydrophobicContact CG1-CD1 4.04Å; T69-I254 HydrophobicContact CG2-CD1 4.08Å; T69-I254 HydrophobicContact CG2-CG1 3.6Å; I71-I254 HydrophobicContact CD1-CD1 4.22Å; G250-I254 WeakPolarHBondContact O-CB 3.48Å; G250-I254 WeakPolarHBondContact O-CG1 3.22Å; G250-I254 PolarHBondContact O-N 2.86Å; K252-I254 VanDerWaalsContact C-N 3.29Å; K252-I254 PolarHBondContact O-N 2.99Å; I254-E256 PolarHBondContact O-N 3.16Å; I254-N257 PolarHBondContact O-N 3.29Å; I254-D258 HydrophobicContact CG2-CB 4.11Å; I254-D258 WeakPolarHBondContact O-CB 3.43Å; I254-D258 PolarHBondContact O-N 2.77Å; I254-P264 HydrophobicContact CB-CB 4.26Å; I254-P264 HydrophobicContact CB-CG 4.13Å; I254-P264 HydrophobicContact CD1-CB 4.14Å; I254-P264 HydrophobicContact CG2-CB 3.66Å; I254-P264 HydrophobicContact CG2-CG 3.74Å
255S92.6Very high90.5Very high69 Ų6963 Ų6348%0.48334%0.343SS..Hα-helixtrans-63-27.7-177-54.90000113L251 K252L251-S255 WeakPolarHBondContact O-CB 3.45Å; L251-S255 PolarHBondContact O-N 3.3Å; L251-S255 PolarHBondContact O-OG 3.03Å; K252-S255 PolarHBondContact O-N 3.28Å; K252-S255 VanDerWaalsContact O-N 3.08Å
256E92Very high90.4Very high127 Ų12765 Ų6559%0.59335%0.354SS*.Hα-helixtrans-78.2-22.9176.4-71.1171.6174.600113.4K252 W253 I254K252-E256 WeakPolarHBondContact CE-OE1 3.45Å; K252-E256 WeakPolarHBondContact O-CG 3.43Å; K252-E256 PolarHBondContact O-N 3.38Å; W253-E256 PolarHBondContact O-N 2.84Å; I254-E256 PolarHBondContact O-N 3.16Å
257N91.1Very high90.3Very high64 Ų6465.8 Ų65.834%0.34236%0.359SS..Hα-helixtrans-112.5-27.6-173.1-71.4-87000114.1W67 W253 I254W67-N257 HydrophobicContact CD2-CB 4.06Å; W67-N257 HydrophobicContact CE3-CB 4.09Å; W67-N257 HydrophobicContact CH2-CB 3.6Å; W67-N257 HydrophobicContact CZ2-CB 3.53Å; W67-N257 HydrophobicContact CZ3-CB 3.91Å; W253-N257 PolarHBondContact O-N 2.5Å; W253-N257 PolarHBondContact O-ND2 3.4Å; I254-N257 PolarHBondContact O-N 3.29Å
258D89.7Confident90.2Very high10 Ų1070.8 Ų70.85%0.05338%0.38CS..  trans-96.1109.5-177.6-162.7-26.3000111.5S30 W67 I254 I260 T261S30-D258 WeakPolarHBondContact CB-OD2 3.28Å; S30-D258 PolarHBondContact OG-OD2 3.21Å; W67-D258 HydrophobicContact CE3-CB 3.68Å; W67-D258 HydrophobicContact CZ3-CB 3.68Å; I254-D258 HydrophobicContact CG2-CB 4.11Å; I254-D258 WeakPolarHBondContact O-CB 3.43Å; I254-D258 PolarHBondContact O-N 2.77Å; D258-I260 VanDerWaalsContact C-N 3.28Å; D258-I260 PolarHBondContact O-N 2.88Å; D258-I260 WeakPolarHBondContact OD1-CA 3.47Å; D258-I260 WeakPolarHBondContact OD1-CB 3.45Å; D258-I260 PolarHBondContact OD1-N 3.25Å; D258-T261 PolarHBondContact OD1-N 2.82Å; D258-T261 WeakPolarHBondContact OD2-CB 3.17Å; D258-T261 PolarHBondContact OD2-OG1 2.82Å
259S83.1Confident90.2Very high127 Ų12764.6 Ų64.689%0.88835%0.351SS*.SBendtrans-78.9-9.8176.2-48.90000113.9
260I80.8Confident90.1Very high76 Ų7667 Ų6739%0.3936%0.359SS..SBendtrans-102.2-47.2-174.4-61.3176.8000110.5S66 D258 S262S66-I260 WeakPolarHBondContact OG-CD1 3.19Å; D258-I260 VanDerWaalsContact C-N 3.28Å; D258-I260 PolarHBondContact O-N 2.88Å; D258-I260 WeakPolarHBondContact OD1-CA 3.47Å; D258-I260 WeakPolarHBondContact OD1-CB 3.45Å; D258-I260 PolarHBondContact OD1-N 3.25Å; I260-S262 PolarHBondContact O-N 3.01Å; I260-S262 VanDerWaalsContact O-N 3.09Å
261T78.2Confident90Very high11 Ų1172.1 Ų72.17%0.06738%0.383CS..  trans-7996.2-177.6-52.10000110.4S30 D258 N263 P264S30-T261 PolarHBondContact N-OG1 3.44Å; D258-T261 PolarHBondContact OD1-N 2.82Å; D258-T261 WeakPolarHBondContact OD2-CB 3.17Å; D258-T261 PolarHBondContact OD2-OG1 2.82Å; T261-N263 VanDerWaalsContact C-N 3.31Å; T261-N263 PolarHBondContact O-N 3.03Å; T261-P264 HydrophobicContact CG2-CB 4.18Å
262S71.7Confident89.8Confident109 Ų10972.3 Ų72.376%0.76240%0.396SS*.SBendtrans-68.5-28.2-178.6-39.40000113.8I260I260-S262 PolarHBondContact O-N 3.01Å; I260-S262 VanDerWaalsContact O-N 3.09Å
263N78.7Confident89.7Confident140 Ų14069.4 Ų69.475%0.74938%0.384SS*.SBendtrans-141.589.9179.9-78.7-26.6000109.7T261 M265T261-N263 VanDerWaalsContact C-N 3.31Å; T261-N263 PolarHBondContact O-N 3.03Å; N263-M265 PolarHBondContact O-N 2.99Å
264P83.8Confident89.6Confident20 Ų2068.2 Ų68.213%0.1338%0.38CS..  trans-61.3136.9176.423.3-31000111.1L251 I254 T261L251-P264 HydrophobicContact CB-CG 4.48Å; L251-P264 HydrophobicContact CD2-CB 3.8Å; L251-P264 HydrophobicContact CD2-CG 3.71Å; L251-P264 WeakPolarHBondContact CD2-O 3.44Å; I254-P264 HydrophobicContact CB-CB 4.26Å; I254-P264 HydrophobicContact CB-CG 4.13Å; I254-P264 HydrophobicContact CD1-CB 4.14Å; I254-P264 HydrophobicContact CG2-CB 3.66Å; I254-P264 HydrophobicContact CG2-CG 3.74Å; T261-P264 HydrophobicContact CG2-CB 4.18Å
265M89.9Confident89.2Confident128 Ų12872.1 Ų72.163%0.63140%0.401SS*.EExtended strand (participates in β ladder)trans-96.5151-177-61.7-174.982.900111.3Q31 I32 N263Q31-M265 HydrophobicContact CG-CB 4.28Å; Q31-M265 VanDerWaalsContact CG-O 3.28Å; Q31-M265 WeakPolarHBondContact CG-O 3.34Å; I32-M265 PolarHBondContact N-O 2.6Å; N263-M265 PolarHBondContact O-N 2.99Å
266V96.6Very high88.9Confident58 Ų5873.6 Ų73.635%0.35240%0.4SS..EExtended strand (participates in β ladder)trans-109.1123.6167.1-173.30000108I32 I34 I247 L251I32-V266 HydrophobicContact CB-CG1 4.47Å; I32-V266 HydrophobicContact CB-CG2 4.36Å; I32-V266 CarbonylContact O-C 3.56Å; I32-V266 WeakPolarHBondContact O-CA 3.31Å; I34-V266 HydrophobicContact CD1-CG1 3.8Å; I34-V266 HydrophobicContact CG1-CG1 4.32Å; I247-V266 HydrophobicContact CD1-CG1 4.45Å; I247-V266 HydrophobicContact CG2-CG1 4.34Å; I247-V266 HydrophobicContact CG2-CG2 3.64Å; L251-V266 HydrophobicContact CD1-CG2 3.93Å; L251-V266 HydrophobicContact CD2-CG2 3.92Å; L251-V266 HydrophobicContact CG-CG2 4.23Å
267T96.3Very high88.8Confident20 Ų2069 Ų6912%0.12338%0.378CS..EExtended strand (participates in β ladder)trans-126.5121-176-60.80000111Q31 I32 F33 I34 I269 F277Q31-T267 PolarHBondContact NE2-OG1 3.4Å; I32-T267 PolarHBondContact O-N 3.21Å; F33-T267 CarbonylContact C-O 3.57Å; F33-T267 WeakPolarHBondContact CA-O 3.28Å; I34-T267 PolarHBondContact N-O 3.34Å; T267-I269 HydrophobicContact CG2-CG1 4.19Å; T267-F277 HydrophobicContact CG2-CD1 4.22Å; T267-F277 HydrophobicContact CG2-CE1 3.47Å; T267-F277 VanDerWaalsContact CG2-CE1 3.47Å; T267-F277 HydrophobicContact CG2-CE2 4.15Å; T267-F277 HydrophobicContact CG2-CZ 3.42Å; T267-F277 VanDerWaalsContact CG2-CZ 3.42Å
268K97.2Very high88.6Confident129 Ų12966.1 Ų66.156%0.56136%0.363SS*.EExtended strand (participates in β ladder)trans-86.6124.8171.3-65.3-178.2-179.1-179.10108.6I34 F270I34-K268 HydrophobicContact CB-CG 4.15Å; I34-K268 HydrophobicContact CD1-CG 4.01Å; I34-K268 WeakPolarHBondContact O-CA 3.26Å; K268-F270 HydrophobicContact CB-CE2 4.47Å
269I96.3Very high88.3Confident4 Ų469.4 Ų69.42%0.02138%0.378CS..EExtended strand (participates in β ladder)trans-109.3114.3178-57.1-177.6000107.5F33 I34 L35 N36 F46 T267 Q273 E274 F277F33-I269 HydrophobicContact CD1-CD1 3.57Å; F33-I269 HydrophobicContact CD1-CG1 4.3Å; F33-I269 HydrophobicContact CE1-CD1 4.16Å; F33-I269 HydrophobicContact CG-CD1 4.42Å; I34-I269 PolarHBondContact O-N 2.99Å; L35-I269 HydrophobicContact CD2-CB 4.15Å; L35-I269 HydrophobicContact CD2-CD1 3.94Å; L35-I269 HydrophobicContact CD2-CG1 4.39Å; N36-I269 PolarHBondContact N-O 2.99Å; F46-I269 HydrophobicContact CE1-CD1 4.01Å; F46-I269 HydrophobicContact CE2-CD1 3.59Å; F46-I269 HydrophobicContact CZ-CD1 3.22Å; T267-I269 HydrophobicContact CG2-CG1 4.19Å; I269-Q273 HydrophobicContact CG2-CB 4.3Å; I269-E274 HydrophobicContact CG2-CG 4.3Å; I269-F277 HydrophobicContact CD1-CB 3.87Å; I269-F277 HydrophobicContact CD1-CD2 3.5Å; I269-F277 VanDerWaalsContact CD1-CD2 3.5Å; I269-F277 HydrophobicContact CD1-CE2 4.2Å; I269-F277 HydrophobicContact CD1-CG 3.69Å; I269-F277 HydrophobicContact CG1-CD2 3.63Å; I269-F277 HydrophobicContact CG1-CE2 3.82Å; I269-F277 HydrophobicContact CG1-CG 4.22Å; I269-F277 HydrophobicContact CG2-CD2 4.2Å
270F96Very high88.5Confident110 Ų11064.6 Ų64.648%0.48234%0.344SS..  trans-82.9157.4172.5-63.8-85.6000110.5N36 K268 G272 Q273N36-F270 HydrophobicContact CB-CD1 4.12Å; N36-F270 HydrophobicContact CB-CE1 4.46Å; K268-F270 HydrophobicContact CB-CE2 4.47Å; F270-G272 PolarHBondContact O-N 3.11Å; F270-Q273 HydrophobicContact CB-CG 4.25Å; F270-Q273 VanDerWaalsContact N-OE1 3.13Å; F270-Q273 WeakPolarHBondContact O-CB 3.31Å; F270-Q273 PolarHBondContact O-N 3.1Å
271E94.3Very high88.8Confident109 Ų10964.1 Ų64.151%0.50934%0.341SS..THydrogen-bonded Turntrans-54.8132.6174179168.1-173.900110.7R42 Q273R42-E271 IonicContact CZ-OE1 2.95Å; R42-E271 IonicContact NE-OE1 2.66Å; R42-E271 IonicContact NH1-OE1 2.63Å; R42-E271 PolarHBondContact NH1-OE1 2.9Å; E271-Q273 VanDerWaalsContact C-N 3.32Å
272G91.6Very high89.4Confident49 Ų4969.9 Ų69.951%0.50537%0.366SS..THydrogen-bonded Turntrans86.2-1.7-177.900000114.3F270 E274F270-G272 PolarHBondContact O-N 3.11Å; G272-E274 VanDerWaalsContact CA-OE2 3.25Å; G272-E274 WeakPolarHBondContact CA-OE2 3.5Å; G272-E274 PolarHBondContact N-OE2 2.69Å
273Q93.7Very high90.3Very high64 Ų6466.9 Ų66.930%0.29934%0.341SS..  trans-102.46.7173-59-176.8-31.100112.8I269 F270 E271 D275 Q276 F277I269-Q273 HydrophobicContact CG2-CB 4.3Å; F270-Q273 HydrophobicContact CB-CG 4.25Å; F270-Q273 VanDerWaalsContact N-OE1 3.13Å; F270-Q273 WeakPolarHBondContact O-CB 3.31Å; F270-Q273 PolarHBondContact O-N 3.1Å; E271-Q273 VanDerWaalsContact C-N 3.32Å; Q273-D275 VanDerWaalsContact C-OD1 3.29Å; Q273-D275 WeakPolarHBondContact CA-OD1 3.46Å; Q273-D275 PolarHBondContact O-N 3.42Å; Q273-Q276 WeakPolarHBondContact O-CB 3.14Å; Q273-Q276 PolarHBondContact O-N 2.78Å; Q273-Q276 VanDerWaalsContact O-N 3.12Å; Q273-F277 WeakPolarHBondContact O-CD2 3.31Å
274E92.9Very high91.1Very high8 Ų860.3 Ų60.34%0.03731%0.306CS..G310 helixtrans-61.7-28.5-177.3-60.997.8160.300112.4R42 F46 I269 G272 Q276 F277 I278 F284R42-E274 IonicContact CZ-OE1 2.88Å; R42-E274 IonicContact CZ-OE2 2.65Å; R42-E274 IonicContact NE-OE1 2.82Å; R42-E274 PolarHBondContact NE-OE1 2.8Å; R42-E274 IonicContact NE-OE2 3.52Å; R42-E274 IonicContact NH2-OE1 2.69Å; R42-E274 PolarHBondContact NH2-OE1 2.87Å; R42-E274 IonicContact NH2-OE2 2.79Å; R42-E274 PolarHBondContact NH2-OE2 3.4Å; F46-E274 HydrophobicContact CD2-CB 4.06Å; F46-E274 HydrophobicContact CD2-CG 3.94Å; F46-E274 HydrophobicContact CE2-CB 4.34Å; F46-E274 HydrophobicContact CE2-CG 4.47Å; I269-E274 HydrophobicContact CG2-CG 4.3Å; G272-E274 VanDerWaalsContact CA-OE2 3.25Å; G272-E274 WeakPolarHBondContact CA-OE2 3.5Å; G272-E274 PolarHBondContact N-OE2 2.69Å; E274-Q276 PolarHBondContact O-N 3.49Å; E274-F277 PolarHBondContact O-N 3.06Å; E274-F277 VanDerWaalsContact O-N 3.15Å; E274-I278 HydrophobicContact CB-CD1 4.3Å; E274-I278 PolarHBondContact O-N 2.66Å; E274-I278 VanDerWaalsContact O-N 3.1Å; E274-F284 HydrophobicContact CB-CD1 4.36Å; E274-F284 HydrophobicContact CB-CD2 4.46Å; E274-F284 HydrophobicContact CB-CE1 3.95Å; E274-F284 HydrophobicContact CB-CE2 4.06Å; E274-F284 HydrophobicContact CB-CZ 3.78Å; E274-F284 HydrophobicContact CG-CE1 4.12Å; E274-F284 HydrophobicContact CG-CE2 4Å; E274-F284 HydrophobicContact CG-CZ 3.57Å
275D86.1Confident91.6Very high83 Ų8365.2 Ų65.244%0.44433%0.327SS..G310 helixtrans-62.4-19.9176.766.9-38.9000114.2Q273 F277 I281Q273-D275 VanDerWaalsContact C-OD1 3.29Å; Q273-D275 WeakPolarHBondContact CA-OD1 3.46Å; Q273-D275 PolarHBondContact O-N 3.42Å; D275-F277 VanDerWaalsContact C-N 3.34Å; D275-I281 HydrophobicContact CB-CB 4.27Å; D275-I281 HydrophobicContact CB-CD1 3.57Å; D275-I281 HydrophobicContact CB-CG1 3.78Å
276Q87.9Confident91.9Very high99 Ų9964.4 Ų64.446%0.46332%0.322SS..G310 helixtrans-81-15.8177.8-60.2174.229.900113Y24 Q273 E274Y24-Q276 WeakPolarHBondContact CD2-O 3.42Å; Q273-Q276 WeakPolarHBondContact O-CB 3.14Å; Q273-Q276 PolarHBondContact O-N 2.78Å; Q273-Q276 VanDerWaalsContact O-N 3.12Å; E274-Q276 PolarHBondContact O-N 3.49Å
277F89.6Confident91.9Very high32 Ų3262.6 Ų62.614%0.1432%0.315CS..THydrogen-bonded Turntrans-127.5-6.6-171-57.6-75.2000114.1F33 F46 T267 I269 Q273 E274 D275F33-F277 HydrophobicContact CE1-CB 4.44Å; F33-F277 HydrophobicContact CE1-CD1 4.16Å; F33-F277 HydrophobicContact CE1-CG 4.46Å; F46-F277 HydrophobicContact CE2-CB 4.2Å; F46-F277 HydrophobicContact CZ-CB 4.07Å; T267-F277 HydrophobicContact CG2-CD1 4.22Å; T267-F277 HydrophobicContact CG2-CE1 3.47Å; T267-F277 VanDerWaalsContact CG2-CE1 3.47Å; T267-F277 HydrophobicContact CG2-CE2 4.15Å; T267-F277 HydrophobicContact CG2-CZ 3.42Å; T267-F277 VanDerWaalsContact CG2-CZ 3.42Å; I269-F277 HydrophobicContact CD1-CB 3.87Å; I269-F277 HydrophobicContact CD1-CD2 3.5Å; I269-F277 VanDerWaalsContact CD1-CD2 3.5Å; I269-F277 HydrophobicContact CD1-CE2 4.2Å; I269-F277 HydrophobicContact CD1-CG 3.69Å; I269-F277 HydrophobicContact CG1-CD2 3.63Å; I269-F277 HydrophobicContact CG1-CE2 3.82Å; I269-F277 HydrophobicContact CG1-CG 4.22Å; I269-F277 HydrophobicContact CG2-CD2 4.2Å; Q273-F277 WeakPolarHBondContact O-CD2 3.31Å; E274-F277 PolarHBondContact O-N 3.06Å; E274-F277 VanDerWaalsContact O-N 3.15Å; D275-F277 VanDerWaalsContact C-N 3.34Å
278I87Confident91.9Very high2 Ų262.8 Ų62.81%0.0132%0.315CS..  trans-109.8129.1174.5-65.1179.8000108.1F46 C49 E53 E274 F284F46-I278 HydrophobicContact CD2-CD1 3.43Å; F46-I278 VanDerWaalsContact CD2-CD1 3.43Å; F46-I278 HydrophobicContact CD2-CG1 3.88Å; F46-I278 HydrophobicContact CE2-CD1 3.75Å; F46-I278 HydrophobicContact CE2-CG1 3.64Å; F46-I278 HydrophobicContact CG-CD1 4.17Å; F46-I278 HydrophobicContact CZ-CG1 4.35Å; C49-I278 HydrophobicContact CB-CD1 3.84Å; C49-I278 HydrophobicContact CB-CG1 4.36Å; C49-I278 HydrophobicContact CB-CG2 4.03Å; E53-I278 WeakPolarHBondContact OE1-CG2 3.18Å; E274-I278 HydrophobicContact CB-CD1 4.3Å; E274-I278 PolarHBondContact O-N 2.66Å; E274-I278 VanDerWaalsContact O-N 3.1Å; I278-F284 HydrophobicContact CD1-CB 3.94Å; I278-F284 HydrophobicContact CD1-CD2 3.24Å; I278-F284 HydrophobicContact CD1-CE2 3.95Å; I278-F284 HydrophobicContact CD1-CG 3.79Å; I278-F284 HydrophobicContact CG2-CB 4.28Å
279H83.2Confident91.9Very high80 Ų8059.4 Ų59.437%0.3731%0.311SS..SBendtrans-60.5-48.6178.2178.371.3000112.7Y24 E53Y24-H279 WeakPolarHBondContact O-CA 3.45Å; Y24-H279 WeakPolarHBondContact O-CB 3.25Å; Y24-H279 VanDerWaalsContact O-CG 3.3Å; Y24-H279 PolarHBondContact O-ND1 3.27Å; E53-H279 VanDerWaalsContact CD-CB 3.47Å; E53-H279 VanDerWaalsContact CD-N 3.28Å; E53-H279 HydrophobicContact CG-CB 4.29Å; E53-H279 WeakPolarHBondContact OE1-CA 3.38Å; E53-H279 VanDerWaalsContact OE1-CB 3.28Å; E53-H279 WeakPolarHBondContact OE1-CB 3.46Å; E53-H279 PolarHBondContact OE1-N 3.39Å; E53-H279 PolarHBondContact OE2-N 3.05Å; E53-H279 VanDerWaalsContact OE2-N 3.14Å
280S86.2Confident92Very high26 Ų2662.7 Ų62.718%0.18233%0.328CS..  trans-105.492178-176.30000111.6E53 K282 D283 F284E53-S280 PolarHBondContact OE1-N 3.36Å; S280-K282 PolarHBondContact O-N 3.5Å; S280-D283 VanDerWaalsContact CB-CG 3.43Å; S280-D283 WeakPolarHBondContact O-CB 3.32Å; S280-D283 PolarHBondContact O-N 2.9Å; S280-D283 WeakPolarHBondContact OG-CB 3.25Å; S280-D283 PolarHBondContact OG-N 3.41Å; S280-D283 VanDerWaalsContact OG-N 3.1Å; S280-D283 PolarHBondContact OG-OD1 3.06Å; S280-F284 PolarHBondContact O-N 2.97Å; S280-F284 VanDerWaalsContact O-N 3.07Å
281I87.2Confident92Very high65 Ų6558 Ų5833%0.33331%0.309SS..Hα-helixtrans-58.8-30.2171.8-17251.6000112.4D275 F284 Q285D275-I281 HydrophobicContact CB-CB 4.27Å; D275-I281 HydrophobicContact CB-CD1 3.57Å; D275-I281 HydrophobicContact CB-CG1 3.78Å; I281-F284 HydrophobicContact CD1-CB 4.21Å; I281-F284 HydrophobicContact CD1-CD1 3.95Å; I281-F284 HydrophobicContact CD1-CG 4.43Å; I281-F284 PolarHBondContact O-N 3.48Å; I281-Q285 HydrophobicContact CD1-CG 4.37Å; I281-Q285 HydrophobicContact CG1-CG 4.43Å; I281-Q285 WeakPolarHBondContact O-CG 3.11Å; I281-Q285 PolarHBondContact O-N 2.9Å
282K90.8Very high92.1Very high132 Ų13257.6 Ų57.657%0.57431%0.307SS*.Hα-helixtrans-63.1-42.9173.4-176-179.3177-177.50111.1S280 F284 Q285 Q286S280-K282 PolarHBondContact O-N 3.5Å; K282-F284 VanDerWaalsContact C-N 3.32Å; K282-Q285 PolarHBondContact O-N 3.2Å; K282-Q286 VanDerWaalsContact CE-NE2 3.34Å; K282-Q286 WeakPolarHBondContact O-CB 3.25Å; K282-Q286 VanDerWaalsContact O-CG 3.26Å; K282-Q286 WeakPolarHBondContact O-CG 3.31Å; K282-Q286 PolarHBondContact O-N 2.67Å
283D91.3Very high92.4Very high46 Ų4657.6 Ų57.625%0.24630%0.297CS..Hα-helixtrans-65.2-39.6177.1-6816.8000110.4K56 S280 G287K56-D283 IonicContact NZ-OD2 3.63Å; K56-D283 PolarHBondContact NZ-OD2 3.35Å; S280-D283 VanDerWaalsContact CB-CG 3.43Å; S280-D283 WeakPolarHBondContact O-CB 3.32Å; S280-D283 PolarHBondContact O-N 2.9Å; S280-D283 WeakPolarHBondContact OG-CB 3.25Å; S280-D283 PolarHBondContact OG-N 3.41Å; S280-D283 VanDerWaalsContact OG-N 3.1Å; S280-D283 PolarHBondContact OG-OD1 3.06Å; D283-G287 PolarHBondContact O-N 2.9Å
284F94.6Very high92.4Very high3 Ų356.8 Ų56.81%0.01329%0.291CS..Hα-helixtrans-62.7-50174.6179.1-96.1000112R42 T45 F46 E274 I278 S280 I281 K282 Q286 G287 L288R42-F284 HydrophobicContact CB-CZ 4.4Å; T45-F284 HydrophobicContact CG2-CD2 3.52Å; T45-F284 HydrophobicContact CG2-CE2 3.79Å; T45-F284 HydrophobicContact CG2-CG 4.16Å; T45-F284 WeakPolarHBondContact CG2-O 3.38Å; F46-F284 HydrophobicContact CB-CE2 4.14Å; F46-F284 HydrophobicContact CD2-CE2 4.5Å; E274-F284 HydrophobicContact CB-CD1 4.36Å; E274-F284 HydrophobicContact CB-CD2 4.46Å; E274-F284 HydrophobicContact CB-CE1 3.95Å; E274-F284 HydrophobicContact CB-CE2 4.06Å; E274-F284 HydrophobicContact CB-CZ 3.78Å; E274-F284 HydrophobicContact CG-CE1 4.12Å; E274-F284 HydrophobicContact CG-CE2 4Å; E274-F284 HydrophobicContact CG-CZ 3.57Å; I278-F284 HydrophobicContact CD1-CB 3.94Å; I278-F284 HydrophobicContact CD1-CD2 3.24Å; I278-F284 HydrophobicContact CD1-CE2 3.95Å; I278-F284 HydrophobicContact CD1-CG 3.79Å; I278-F284 HydrophobicContact CG2-CB 4.28Å; S280-F284 PolarHBondContact O-N 2.97Å; S280-F284 VanDerWaalsContact O-N 3.07Å; I281-F284 HydrophobicContact CD1-CB 4.21Å; I281-F284 HydrophobicContact CD1-CD1 3.95Å; I281-F284 HydrophobicContact CD1-CG 4.43Å; I281-F284 PolarHBondContact O-N 3.48Å; K282-F284 VanDerWaalsContact C-N 3.32Å; F284-Q286 VanDerWaalsContact C-N 3.33Å; F284-Q286 PolarHBondContact O-N 3.34Å; F284-G287 PolarHBondContact O-N 3.01Å; F284-L288 HydrophobicContact CE1-CD2 4.13Å; F284-L288 VanDerWaalsContact O-CB 3.3Å; F284-L288 WeakPolarHBondContact O-CB 3.36Å; F284-L288 PolarHBondContact O-N 3.14Å
285Q95.6Very high92.4Very high123 Ų12359.5 Ų59.558%0.57531%0.312SS*.Hα-helixtrans-61.2-41.5179.2-72.8176.1-12.500112.2I281 K282 L288 A289I281-Q285 HydrophobicContact CD1-CG 4.37Å; I281-Q285 HydrophobicContact CG1-CG 4.43Å; I281-Q285 WeakPolarHBondContact O-CG 3.11Å; I281-Q285 PolarHBondContact O-N 2.9Å; K282-Q285 PolarHBondContact O-N 3.2Å; Q285-L288 PolarHBondContact O-N 3.09Å; Q285-A289 WeakPolarHBondContact O-CB 3.46Å; Q285-A289 PolarHBondContact O-N 2.54Å
286Q95.5Very high92.9Very high111 Ų11157.5 Ų57.552%0.51930%0.298SS..Hα-helixtrans-65.9-43.4175.6-73.2-179.7-5.100112K282 F284 L288 A289 L290K282-Q286 VanDerWaalsContact CE-NE2 3.34Å; K282-Q286 WeakPolarHBondContact O-CB 3.25Å; K282-Q286 VanDerWaalsContact O-CG 3.26Å; K282-Q286 WeakPolarHBondContact O-CG 3.31Å; K282-Q286 PolarHBondContact O-N 2.67Å; F284-Q286 VanDerWaalsContact C-N 3.33Å; F284-Q286 PolarHBondContact O-N 3.34Å; Q286-L288 VanDerWaalsContact C-N 3.35Å; Q286-A289 PolarHBondContact O-N 3.42Å; Q286-L290 VanDerWaalsContact O-CB 3.27Å; Q286-L290 WeakPolarHBondContact O-CB 3.48Å; Q286-L290 PolarHBondContact O-N 3.45Å
287G95.9Very high93.4Very high20 Ų2053.2 Ų53.221%0.20628%0.278CS..Hα-helixtrans-61.5-43.6175.500000112D283 F284 L290 S291D283-G287 PolarHBondContact O-N 2.9Å; F284-G287 PolarHBondContact O-N 3.01Å; G287-L290 PolarHBondContact O-N 3.01Å; G287-S291 VanDerWaalsContact O-CB 3.29Å; G287-S291 WeakPolarHBondContact O-CB 3.13Å; G287-S291 PolarHBondContact O-N 3.04Å; G287-S291 PolarHBondContact O-OG 3.42Å
288L97.1Very high93.7Very high23 Ų2353.8 Ų53.812%0.1228%0.279CS..Hα-helixtrans-63.5-46.8178.4178.658.5000111.1R42 T45 F284 Q285 Q286 S291 Q292R42-L288 HydrophobicContact CG-CD1 3.82Å; R42-L288 HydrophobicContact CG-CD2 4.24Å; T45-L288 HydrophobicContact CG2-CB 4.22Å; F284-L288 HydrophobicContact CE1-CD2 4.13Å; F284-L288 VanDerWaalsContact O-CB 3.3Å; F284-L288 WeakPolarHBondContact O-CB 3.36Å; F284-L288 PolarHBondContact O-N 3.14Å; Q285-L288 PolarHBondContact O-N 3.09Å; Q286-L288 VanDerWaalsContact C-N 3.35Å; L288-S291 PolarHBondContact O-N 3.17Å; L288-S291 PolarHBondContact O-OG 3.22Å; L288-Q292 PolarHBondContact O-NE2 3.4Å
289A97.7Very high93.9Very high58 Ų5854.6 Ų54.648%0.47929%0.288SS..Hα-helixtrans-61.1-47.9175.800000111.2Q285 Q286 S291 Q292 T293Q285-A289 WeakPolarHBondContact O-CB 3.46Å; Q285-A289 PolarHBondContact O-N 2.54Å; Q286-A289 PolarHBondContact O-N 3.42Å; A289-S291 VanDerWaalsContact C-N 3.34Å; A289-S291 PolarHBondContact O-N 3.28Å; A289-Q292 PolarHBondContact O-N 3.1Å; A289-T293 WeakPolarHBondContact O-CG2 3.2Å
290L97.1Very high94.4Very high74 Ų7453.8 Ų53.839%0.38729%0.285SS..Hα-helixtrans-59.8-43.2178.6178.764.9000112Q286 G287 Q292 T293 W296Q286-L290 VanDerWaalsContact O-CB 3.27Å; Q286-L290 WeakPolarHBondContact O-CB 3.48Å; Q286-L290 PolarHBondContact O-N 3.45Å; G287-L290 PolarHBondContact O-N 3.01Å; L290-Q292 PolarHBondContact O-N 3.4Å; L290-T293 WeakPolarHBondContact O-CB 3.49Å; L290-T293 PolarHBondContact O-N 3.05Å; L290-T293 PolarHBondContact O-OG1 2.93Å; L290-W296 HydrophobicContact CD1-CB 4.14Å; L290-W296 HydrophobicContact CD2-CE3 4.1Å; L290-W296 HydrophobicContact CG-CB 4.14Å; L290-W296 HydrophobicContact CG-CD2 4.38Å; L290-W296 HydrophobicContact CG-CE3 4.32Å; L290-W296 HydrophobicContact CG-CG 4.33Å; L290-W296 WeakPolarHBondContact O-CB 3.43Å
291S97.1Very high94.9Very high10 Ų1052.5 Ų52.57%0.0728%0.276CS..Hα-helixtrans-60.6-19.7-174.573.40000114.2Y41 G287 L288 A289Y41-S291 WeakPolarHBondContact CD1-O 3.33Å; Y41-S291 WeakPolarHBondContact CE1-O 3.25Å; G287-S291 VanDerWaalsContact O-CB 3.29Å; G287-S291 WeakPolarHBondContact O-CB 3.13Å; G287-S291 PolarHBondContact O-N 3.04Å; G287-S291 PolarHBondContact O-OG 3.42Å; L288-S291 PolarHBondContact O-N 3.17Å; L288-S291 PolarHBondContact O-OG 3.22Å; A289-S291 VanDerWaalsContact C-N 3.34Å; A289-S291 PolarHBondContact O-N 3.28Å
292Q96.8Very high95.3Very high102 Ų10250.9 Ų50.948%0.47727%0.27SS..THydrogen-bonded Turntrans-97.2-9.6179.4-65.6171.660.500113Y41 L288 A289 L290Y41-Q292 HydrophobicContact CD1-CG 3.82Å; Y41-Q292 HydrophobicContact CD2-CG 3.67Å; Y41-Q292 HydrophobicContact CE1-CG 4.12Å; Y41-Q292 HydrophobicContact CE2-CG 3.96Å; Y41-Q292 HydrophobicContact CG-CG 3.61Å; L288-Q292 PolarHBondContact O-NE2 3.4Å; A289-Q292 PolarHBondContact O-N 3.1Å; L290-Q292 PolarHBondContact O-N 3.4Å
293T96.2Very high95.7Very high49 Ų4947.8 Ų47.830%0.30127%0.265SS..SBendtrans-78.8151.7-176.467.90000112.4A289 L290 S295 W296 I297A289-T293 WeakPolarHBondContact O-CG2 3.2Å; L290-T293 WeakPolarHBondContact O-CB 3.49Å; L290-T293 PolarHBondContact O-N 3.05Å; L290-T293 PolarHBondContact O-OG1 2.93Å; T293-S295 PolarHBondContact O-N 3.28Å; T293-S295 PolarHBondContact OG1-OG 2.96Å; T293-W296 PolarHBondContact O-N 3.45Å; T293-W296 PolarHBondContact OG1-N 2.98Å; T293-I297 PolarHBondContact O-N 3.49Å
294W94Very high96Very high46 Ų4645.8 Ų45.817%0.17425%0.254CS..Hα-helixtrans-56.6-41.2169.2-174.494.6000111.8W296 I297 Y298 G299 G332 I334 E367W294-W296 PolarHBondContact O-N 2.98Å; W294-W296 VanDerWaalsContact O-N 3.15Å; W294-I297 PolarHBondContact O-N 3.32Å; W294-Y298 AromaticContact CD1-CD2 3.43Å; W294-Y298 VanDerWaalsContact CD1-CD2 3.43Å; W294-Y298 AromaticContact CD1-CG 3.84Å; W294-Y298 AromaticContact CG-CD2 4Å; W294-Y298 HydrophobicContact CG-CD2 4Å; W294-Y298 HydrophobicContact CG-CG 4.43Å; W294-Y298 AromaticContact NE1-CD2 3.78Å; W294-Y298 AromaticContact NE1-CG 3.68Å; W294-Y298 WeakPolarHBondContact O-CA 2.97Å; W294-Y298 WeakPolarHBondContact O-CB 3.06Å; W294-Y298 PolarHBondContact O-N 2.99Å; W294-G299 PolarHBondContact O-N 3.33Å; W294-G332 WeakPolarHBondContact CH2-O 3.49Å; W294-G332 WeakPolarHBondContact CZ2-O 3.5Å; W294-I334 HydrophobicContact CH2-CD1 3.63Å; W294-I334 HydrophobicContact CH2-CG1 4.47Å; W294-I334 HydrophobicContact CZ3-CD1 4.24Å; W294-E367 HydrophobicContact CH2-CB 4.22Å; W294-E367 HydrophobicContact CH2-CG 4.03Å; W294-E367 HydrophobicContact CZ2-CB 3.93Å; W294-E367 HydrophobicContact CZ2-CG 4.21Å; W294-E367 HydrophobicContact CZ3-CG 4.4Å
295S94.2Very high96.2Very high66 Ų6648.6 Ų48.646%0.46227%0.267SS..Hα-helixtrans-57.7-31.1179.873.20000113.4T293 G299T293-S295 PolarHBondContact O-N 3.28Å; T293-S295 PolarHBondContact OG1-OG 2.96Å; S295-G299 CarbonylContact O-C 3.58Å; S295-G299 WeakPolarHBondContact O-CA 3.44Å; S295-G299 PolarHBondContact O-N 2.81Å
296W96.4Very high96.3Very high40 Ų4042.8 Ų42.815%0.15224%0.24CC..Hα-helixtrans-86.7-53175.9-177.9-107.6000112.3R106 L290 T293 W294 H300R106-W296 VanDerWaalsContact CD-O 3.31Å; R106-W296 WeakPolarHBondContact CD-O 3.44Å; R106-W296 PolarHBondContact NE-O 2.6Å; R106-W296 PolarHBondContact O-NE1 2.87Å; L290-W296 HydrophobicContact CD1-CB 4.14Å; L290-W296 HydrophobicContact CD2-CE3 4.1Å; L290-W296 HydrophobicContact CG-CB 4.14Å; L290-W296 HydrophobicContact CG-CD2 4.38Å; L290-W296 HydrophobicContact CG-CE3 4.32Å; L290-W296 HydrophobicContact CG-CG 4.33Å; L290-W296 WeakPolarHBondContact O-CB 3.43Å; T293-W296 PolarHBondContact O-N 3.45Å; T293-W296 PolarHBondContact OG1-N 2.98Å; W294-W296 PolarHBondContact O-N 2.98Å; W294-W296 VanDerWaalsContact O-N 3.15Å; W296-H300 AromaticContact CE3-CD2 3.41Å; W296-H300 VanDerWaalsContact CE3-CD2 3.41Å; W296-H300 AromaticContact CE3-NE2 3.33Å; W296-H300 VanDerWaalsContact CE3-NE2 3.33Å; W296-H300 AromaticContact CZ3-CD2 3.69Å; W296-H300 AromaticContact CZ3-NE2 3.42Å; W296-H300 WeakPolarHBondContact CZ3-NE2 3.38Å
297I97.3Very high96.4Very high9 Ų938 Ų385%0.04622%0.218CC..Hα-helixtrans-67.1-44.6-173.2-62.3164.4000110.6Y41 L104 R106 T293 W294Y41-I297 HydrophobicContact CE1-CD1 4.3Å; L104-I297 HydrophobicContact CD2-CG2 3.76Å; L104-I297 HydrophobicContact CG-CG2 3.83Å; L104-I297 VanDerWaalsContact O-CD1 3.31Å; L104-I297 WeakPolarHBondContact O-CD1 3.3Å; R106-I297 PolarHBondContact NE-O 2.88Å; R106-I297 PolarHBondContact NH2-O 2.96Å; T293-I297 PolarHBondContact O-N 3.49Å; W294-I297 PolarHBondContact O-N 3.32Å
298Y96.2Very high96.3Very high44 Ų4437 Ų3717%0.17321%0.208CC..THydrogen-bonded Turntrans-107.3-40-175.8-62.2-89.5000112.4P88 W89 L94 L104 W294 H300 S301 G332P88-Y298 HydrophobicContact CB-CD1 4.37Å; P88-Y298 HydrophobicContact CB-CE1 4.17Å; P88-Y298 HydrophobicContact CG-CD1 3.51Å; P88-Y298 HydrophobicContact CG-CE1 3.78Å; W89-Y298 AromaticContact CE2-CD1 3.92Å; W89-Y298 AromaticContact CH2-CD1 3.79Å; W89-Y298 HydrophobicContact CH2-CD1 3.79Å; W89-Y298 HydrophobicContact CH2-CG 4.39Å; W89-Y298 AromaticContact CZ2-CD1 3.41Å; W89-Y298 HydrophobicContact CZ2-CD1 3.41Å; W89-Y298 VanDerWaalsContact CZ2-CD1 3.41Å; W89-Y298 HydrophobicContact CZ2-CE1 4.08Å; W89-Y298 HydrophobicContact CZ2-CG 4.25Å; L94-Y298 HydrophobicContact CD1-CE1 4.43Å; L94-Y298 HydrophobicContact CD2-CE1 4.46Å; L104-Y298 HydrophobicContact CD2-CE1 4.21Å; L104-Y298 HydrophobicContact CD2-CE2 4.41Å; L104-Y298 WeakPolarHBondContact CD2-OH 3.22Å; W294-Y298 AromaticContact CD1-CD2 3.43Å; W294-Y298 VanDerWaalsContact CD1-CD2 3.43Å; W294-Y298 AromaticContact CD1-CG 3.84Å; W294-Y298 AromaticContact CG-CD2 4Å; W294-Y298 HydrophobicContact CG-CD2 4Å; W294-Y298 HydrophobicContact CG-CG 4.43Å; W294-Y298 AromaticContact NE1-CD2 3.78Å; W294-Y298 AromaticContact NE1-CG 3.68Å; W294-Y298 WeakPolarHBondContact O-CA 2.97Å; W294-Y298 WeakPolarHBondContact O-CB 3.06Å; W294-Y298 PolarHBondContact O-N 2.99Å; Y298-H300 PolarHBondContact O-N 3.02Å; Y298-S301 WeakPolarHBondContact O-CB 3.33Å; Y298-S301 PolarHBondContact O-N 3.23Å; Y298-S301 PolarHBondContact O-OG 3.48Å; Y298-G332 WeakPolarHBondContact O-CA 3.39Å
299G92.3Very high96.1Very high19 Ų1937.5 Ų37.520%0.19621%0.21CC..THydrogen-bonded Turntrans-59.3-17.6-173.900000116.1W294 S295 G332W294-G299 PolarHBondContact O-N 3.33Å; S295-G299 CarbonylContact O-C 3.58Å; S295-G299 WeakPolarHBondContact O-CA 3.44Å; S295-G299 PolarHBondContact O-N 2.81Å; G299-G332 VanDerWaalsContact O-CA 3.32Å; G299-G332 WeakPolarHBondContact O-CA 3.47Å
300H92.1Very high95.9Very high63 Ų6338.1 Ų38.129%0.29221%0.205SC..THydrogen-bonded Turntrans-90.1-2.1173.8-76.1-60.2000115.1W296 Y298 R331W296-H300 AromaticContact CE3-CD2 3.41Å; W296-H300 VanDerWaalsContact CE3-CD2 3.41Å; W296-H300 AromaticContact CE3-NE2 3.33Å; W296-H300 VanDerWaalsContact CE3-NE2 3.33Å; W296-H300 AromaticContact CZ3-CD2 3.69Å; W296-H300 AromaticContact CZ3-NE2 3.42Å; W296-H300 WeakPolarHBondContact CZ3-NE2 3.38Å; Y298-H300 PolarHBondContact O-N 3.02Å; H300-R331 PolarHBondContact ND1-NH2 3.48Å
301S96.6Very high95.7Very high0 Ų035.4 Ų35.40%019%0.19CC..PPolyproline II helixtrans-66.2130.3-176.9-56.90000111.2P88 R106 Y298 R331 G332P88-S301 WeakPolarHBondContact CD-OG 3.13Å; R106-S301 PolarHBondContact NH2-OG 2.9Å; Y298-S301 WeakPolarHBondContact O-CB 3.33Å; Y298-S301 PolarHBondContact O-N 3.23Å; Y298-S301 PolarHBondContact O-OG 3.48Å; S301-R331 WeakPolarHBondContact O-CA 3.27Å; S301-R331 WeakPolarHBondContact O-CG 3.29Å; S301-G332 PolarHBondContact O-N 3.1Å
302P97.6Very high95.5Very high31 Ų3135.3 Ų35.320%0.20119%0.188CC..PPolyproline II helixtrans-57.1155.8173.7-2737.9000112.5F85 A224F85-P302 WeakPolarHBondContact O-CG 3.26Å; A224-P302 HydrophobicContact CB-CB 4.04Å; A224-P302 HydrophobicContact CB-CG 3.76Å
303S98Very high95.3Very high67 Ų6734.2 Ų34.247%0.46919%0.19SC..PPolyproline II helixtrans-56.915217653.30000111.5T222 F329T222-S303 WeakPolarHBondContact CB-O 3.45Å; T222-S303 PolarHBondContact OG1-O 3.36Å; S303-F329 VanDerWaalsContact CA-O 3.25Å; S303-F329 WeakPolarHBondContact CA-O 3.46Å; S303-F329 WeakPolarHBondContact CB-O 3.29Å
304F98.4Very high95.3Very high4 Ų436.9 Ų36.92%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-152.1169.1-177.964.9-84.4000111.6N87 W89 L220 K221 L306 F329 F411N87-F304 WeakPolarHBondContact ND2-CD1 3.2Å; W89-F304 HydrophobicContact CD2-CZ 4.25Å; W89-F304 HydrophobicContact CE3-CD1 4.41Å; W89-F304 AromaticContact CE3-CE1 3.55Å; W89-F304 HydrophobicContact CE3-CE1 3.55Å; W89-F304 AromaticContact CE3-CZ 3.67Å; W89-F304 HydrophobicContact CE3-CZ 3.67Å; W89-F304 AromaticContact CZ3-CE1 3.55Å; W89-F304 HydrophobicContact CZ3-CE1 3.55Å; W89-F304 AromaticContact CZ3-CZ 3.96Å; W89-F304 HydrophobicContact CZ3-CZ 3.96Å; L220-F304 HydrophobicContact CD1-CD2 3.59Å; L220-F304 HydrophobicContact CD1-CE2 3.94Å; L220-F304 HydrophobicContact CD1-CG 4.14Å; L220-F304 HydrophobicContact CD2-CB 3.57Å; L220-F304 HydrophobicContact CD2-CD2 4.15Å; L220-F304 HydrophobicContact CD2-CG 4.09Å; L220-F304 HydrophobicContact CG-CB 4.08Å; L220-F304 HydrophobicContact CG-CD2 3.71Å; L220-F304 HydrophobicContact CG-CE2 4.5Å; L220-F304 HydrophobicContact CG-CG 4.18Å; K221-F304 CarbonylContact O-C 3.59Å; K221-F304 WeakPolarHBondContact O-CA 3.23Å; K221-F304 VanDerWaalsContact O-CB 3.31Å; K221-F304 WeakPolarHBondContact O-CB 3.5Å; F304-L306 HydrophobicContact CD2-CG 4.42Å; F304-L306 HydrophobicContact CE2-CG 4.34Å; F304-F329 HydrophobicContact CD1-CB 3.78Å; F304-F329 HydrophobicContact CD1-CG 4.4Å; F304-F329 HydrophobicContact CD2-CB 4.14Å; F304-F329 AromaticContact CD2-CD2 3.39Å; F304-F329 HydrophobicContact CD2-CD2 3.39Å; F304-F329 HydrophobicContact CD2-CE2 4.06Å; F304-F329 AromaticContact CD2-CG 3.97Å; F304-F329 HydrophobicContact CD2-CG 3.97Å; F304-F329 HydrophobicContact CE1-CB 3.59Å; F304-F329 HydrophobicContact CE1-CD2 4.39Å; F304-F329 AromaticContact CE1-CG 3.99Å; F304-F329 HydrophobicContact CE1-CG 3.99Å; F304-F329 HydrophobicContact CE2-CB 3.97Å; F304-F329 HydrophobicContact CE2-CD1 4.25Å; F304-F329 AromaticContact CE2-CD2 3.16Å; F304-F329 HydrophobicContact CE2-CD2 3.16Å; F304-F329 AromaticContact CE2-CE2 3.63Å; F304-F329 HydrophobicContact CE2-CE2 3.63Å; F304-F329 AromaticContact CE2-CG 3.51Å; F304-F329 HydrophobicContact CE2-CG 3.51Å; F304-F329 HydrophobicContact CE2-CZ 4.32Å; F304-F329 HydrophobicContact CG-CB 4.06Å; F304-F329 HydrophobicContact CG-CD2 4.12Å; F304-F329 HydrophobicContact CG-CG 4.4Å; F304-F329 HydrophobicContact CZ-CB 3.69Å; F304-F329 HydrophobicContact CZ-CD1 4.06Å; F304-F329 AromaticContact CZ-CD2 3.73Å; F304-F329 HydrophobicContact CZ-CD2 3.73Å; F304-F329 HydrophobicContact CZ-CE2 4.37Å; F304-F329 AromaticContact CZ-CG 3.52Å; F304-F329 HydrophobicContact CZ-CG 3.52Å; F304-F329 PolarHBondContact N-O 3.4Å; F304-F329 VanDerWaalsContact N-O 3.11Å; F304-F329 WeakPolarHBondContact O-CB 3.45Å; F304-F329 WeakPolarHBondContact O-CD2 3.42Å; F304-F329 PolarHBondContact O-N 3.03Å; F304-F411 HydrophobicContact CE2-CE1 4.23Å; F304-F411 HydrophobicContact CE2-CZ 4.27Å; F304-F411 HydrophobicContact CZ-CE1 4.16Å; F304-F411 HydrophobicContact CZ-CZ 4.33Å
305Q98.3Very high95.2Very high62 Ų6234.8 Ų34.829%0.2919%0.194SC..EExtended strand (participates in β ladder)trans-130.9145.8177.9-44.5-178.6-57.400110.1K221 V326 I327 D328K221-Q305 HydrophobicContact CB-CB 4.28Å; K221-Q305 PolarHBondContact N-O 2.87Å; K221-Q305 PolarHBondContact O-N 2.74Å; Q305-V326 HydrophobicContact CB-CG1 4.09Å; Q305-I327 WeakPolarHBondContact CA-O 3.42Å; Q305-D328 VanDerWaalsContact CD-OD1 3.3Å; Q305-D328 WeakPolarHBondContact CG-OD1 3.41Å; Q305-D328 PolarHBondContact NE2-OD1 3.44Å
306L97.9Very high95.1Very high0 Ų034 Ų340%019%0.189CC..EExtended strand (participates in β ladder)trans-119.2154.3166.6-63.9178.4000109.3F217 L220 F304 Y311 V326 I327 F329 I407 F411F217-L306 HydrophobicContact CB-CD2 3.89Å; F217-L306 HydrophobicContact CD1-CD1 3.62Å; F217-L306 HydrophobicContact CD1-CD2 3.83Å; F217-L306 HydrophobicContact CD1-CG 4.41Å; F217-L306 HydrophobicContact CE1-CD1 3.68Å; F217-L306 HydrophobicContact CG-CD1 4.35Å; F217-L306 HydrophobicContact CG-CD2 4.04Å; F217-L306 HydrophobicContact CZ-CD1 4.41Å; L220-L306 HydrophobicContact CB-CD2 3.86Å; L220-L306 HydrophobicContact CD1-CD2 4.26Å; L220-L306 HydrophobicContact CG-CD2 3.99Å; F304-L306 HydrophobicContact CD2-CG 4.42Å; F304-L306 HydrophobicContact CE2-CG 4.34Å; L306-Y311 HydrophobicContact CB-CE2 4.32Å; L306-Y311 HydrophobicContact CD2-CE2 4.41Å; L306-V326 WeakPolarHBondContact O-CA 3.46Å; L306-I327 PolarHBondContact N-O 2.98Å; L306-I327 PolarHBondContact O-N 3.11Å; L306-F329 HydrophobicContact CB-CE2 3.99Å; L306-F329 HydrophobicContact CD1-CE2 3.82Å; L306-F329 HydrophobicContact CD1-CZ 4.05Å; L306-F329 HydrophobicContact CG-CE2 3.71Å; L306-F329 HydrophobicContact CG-CZ 4.43Å; L306-I407 HydrophobicContact CD1-CD1 4.46Å; L306-I407 HydrophobicContact CD1-CG2 3.82Å; L306-F411 HydrophobicContact CD1-CE1 4.46Å; L306-F411 HydrophobicContact CD1-CZ 3.93Å
307T96.2Very high94.8Very high11 Ų1138 Ų387%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-118.5123178.3-65.50000108.1E309 N310 Y311 I325T307-E309 HydrophobicContact CG2-CG 3.92Å; T307-E309 WeakPolarHBondContact CG2-OE1 3.4Å; T307-E309 WeakPolarHBondContact CG2-OE2 3.45Å; T307-E309 PolarHBondContact O-N 3.11Å; T307-N310 WeakPolarHBondContact O-CB 3.37Å; T307-N310 PolarHBondContact O-N 3.38Å; T307-N310 PolarHBondContact O-ND2 3.11Å; T307-Y311 WeakPolarHBondContact O-CD2 3.3Å; T307-Y311 WeakPolarHBondContact O-CE2 3.44Å; T307-I325 CarbonylContact C-O 3.49Å; T307-I325 WeakPolarHBondContact CA-O 3.44Å
308L95.7Very high94.5Very high0 Ų038.3 Ų38.30%022%0.215CC..G310 helixtrans-67.7-37.3-160.8-162.961.6000113.4N310 Y311 E312 L315 I325 I327 I338 I400 A403 I407L308-N310 PolarHBondContact O-N 3.38Å; L308-N310 VanDerWaalsContact O-N 3.14Å; L308-Y311 WeakPolarHBondContact O-CA 3.5Å; L308-Y311 PolarHBondContact O-N 3.48Å; L308-E312 PolarHBondContact O-N 3.36Å; L308-E312 VanDerWaalsContact O-N 3.11Å; L308-L315 HydrophobicContact CB-CD1 4.29Å; L308-L315 HydrophobicContact CD2-CD1 3.63Å; L308-L315 HydrophobicContact CG-CD1 3.71Å; L308-I325 HydrophobicContact CB-CB 3.88Å; L308-I325 HydrophobicContact CB-CG2 3.99Å; L308-I325 HydrophobicContact CD2-CB 4.24Å; L308-I325 HydrophobicContact CD2-CD1 4.27Å; L308-I325 HydrophobicContact CD2-CG2 3.79Å; L308-I325 PolarHBondContact N-O 2.97Å; L308-I327 HydrophobicContact CD1-CD1 4.05Å; L308-I338 HydrophobicContact CD2-CD1 4.38Å; L308-I400 HydrophobicContact CD2-CB 4.25Å; L308-I400 HydrophobicContact CD2-CG1 4.05Å; L308-I400 HydrophobicContact CD2-CG2 4.03Å; L308-A403 HydrophobicContact CD1-CB 3.35Å; L308-A403 HydrophobicContact CD2-CB 4.04Å; L308-A403 HydrophobicContact CG-CB 3.55Å; L308-I407 HydrophobicContact CD1-CD1 3.61Å
309E91.7Very high94.3Very high33 Ų3336.7 Ų36.715%0.15421%0.21CC..G310 helixtrans-62.6-19.6179.560.2-92.7-149.500113.4T307 Y311 E312 L315 T319 S324 I325T307-E309 HydrophobicContact CG2-CG 3.92Å; T307-E309 WeakPolarHBondContact CG2-OE1 3.4Å; T307-E309 WeakPolarHBondContact CG2-OE2 3.45Å; T307-E309 PolarHBondContact O-N 3.11Å; E309-Y311 PolarHBondContact O-N 2.91Å; E309-E312 CarbonylContact O-C 3.55Å; E309-L315 HydrophobicContact CB-CB 4.46Å; E309-T319 HydrophobicContact CB-CG2 4.18Å; E309-T319 HydrophobicContact CG-CG2 4.44Å; E309-S324 WeakPolarHBondContact OE1-CA 3.27Å; E309-S324 WeakPolarHBondContact OE1-CB 3.2Å; E309-S324 PolarHBondContact OE1-OG 2.7Å; E309-I325 PolarHBondContact OE2-N 2.99Å
310N93Very high94.2Very high70 Ų7041.4 Ų41.437%0.37423%0.23SC..G310 helixtrans-66.6-18.1170.7-66.8-48.2000112.9N219 T307 L308N219-N310 VanDerWaalsContact ND2-CG 3.33Å; N219-N310 PolarHBondContact ND2-OD1 2.89Å; T307-N310 WeakPolarHBondContact O-CB 3.37Å; T307-N310 PolarHBondContact O-N 3.38Å; T307-N310 PolarHBondContact O-ND2 3.11Å; L308-N310 PolarHBondContact O-N 3.38Å; L308-N310 VanDerWaalsContact O-N 3.14Å
311Y92.9Very high94.1Very high18 Ų1843.6 Ų43.67%0.07124%0.241CC..THydrogen-bonded Turntrans-117.1-18.2-174.5-54.5-80.4000112.6F217 L306 T307 L308 E309 R406 I407 L410F217-Y311 AromaticContact CD1-CE1 3.69Å; F217-Y311 HydrophobicContact CD1-CE1 3.69Å; F217-Y311 AromaticContact CD1-CZ 3.61Å; F217-Y311 WeakPolarHBondContact CD1-OH 3.26Å; F217-Y311 HydrophobicContact CE1-CE1 4.17Å; L306-Y311 HydrophobicContact CB-CE2 4.32Å; L306-Y311 HydrophobicContact CD2-CE2 4.41Å; T307-Y311 WeakPolarHBondContact O-CD2 3.3Å; T307-Y311 WeakPolarHBondContact O-CE2 3.44Å; L308-Y311 WeakPolarHBondContact O-CA 3.5Å; L308-Y311 PolarHBondContact O-N 3.48Å; E309-Y311 PolarHBondContact O-N 2.91Å; Y311-R406 VanDerWaalsContact O-CD 3.24Å; Y311-R406 WeakPolarHBondContact O-CD 3.39Å; Y311-R406 PolarHBondContact O-NH1 2.92Å; Y311-I407 HydrophobicContact CD1-CG1 4.16Å; Y311-I407 HydrophobicContact CD2-CD1 3.65Å; Y311-I407 HydrophobicContact CD2-CG1 3.81Å; Y311-I407 HydrophobicContact CE2-CD1 4.26Å; Y311-I407 HydrophobicContact CE2-CG1 4.41Å; Y311-I407 HydrophobicContact CG-CD1 4.03Å; Y311-I407 HydrophobicContact CG-CG1 3.7Å; Y311-L410 HydrophobicContact CD1-CD1 4.07Å; Y311-L410 HydrophobicContact CE1-CD1 4.2Å
312E94.4Very high93.8Very high7 Ų744.6 Ų44.63%0.03325%0.245CC..  trans-137.491168.7-178.754.4-99.500109.4L308 E309 N314 L315 L399 K402 A403L308-E312 PolarHBondContact O-N 3.36Å; L308-E312 VanDerWaalsContact O-N 3.11Å; E309-E312 CarbonylContact O-C 3.55Å; E312-N314 HydrophobicContact CG-CB 4.5Å; E312-N314 PolarHBondContact O-N 3.15Å; E312-N314 VanDerWaalsContact O-N 3.13Å; E312-N314 WeakPolarHBondContact OE1-CB 3.35Å; E312-N314 PolarHBondContact OE1-N 2.99Å; E312-N314 PolarHBondContact OE1-ND2 3.44Å; E312-L315 HydrophobicContact CB-CD1 4Å; E312-L315 HydrophobicContact CB-CG 4.29Å; E312-L315 HydrophobicContact CG-CD1 4.25Å; E312-L315 HydrophobicContact CG-CG 4.06Å; E312-L315 WeakPolarHBondContact O-CB 3.4Å; E312-L315 PolarHBondContact O-N 3.08Å; E312-L399 HydrophobicContact CG-CB 4.24Å; E312-L399 HydrophobicContact CG-CD2 3.9Å; E312-K402 WeakPolarHBondContact OE2-CD 3.47Å; E312-K402 WeakPolarHBondContact OE2-CE 3.49Å; E312-K402 IonicContact OE2-NZ 3.04Å; E312-K402 PolarHBondContact OE2-NZ 3.24Å; E312-A403 HydrophobicContact CB-CB 3.56Å; E312-A403 HydrophobicContact CG-CB 4.4Å
313P92.2Very high93.5Very high79 Ų7943.3 Ų43.351%0.51324%0.238SC..G310 helixtrans-60.4-22.3-177.1-26.535.8000114.2L315 S316P313-L315 PolarHBondContact O-N 3.41Å; P313-L315 VanDerWaalsContact O-N 3.15Å; P313-S316 VanDerWaalsContact O-CB 3.26Å; P313-S316 WeakPolarHBondContact O-CB 3.44Å; P313-S316 PolarHBondContact O-N 3Å; P313-S316 PolarHBondContact O-OG 2.75Å
314N95.5Very high93.2Very high106 Ų10641.9 Ų41.957%0.56723%0.228SC*.G310 helixtrans-66.5-12.4176.7-63.4-49.4000113.2E312 S316 L399E312-N314 HydrophobicContact CG-CB 4.5Å; E312-N314 PolarHBondContact O-N 3.15Å; E312-N314 VanDerWaalsContact O-N 3.13Å; E312-N314 WeakPolarHBondContact OE1-CB 3.35Å; E312-N314 PolarHBondContact OE1-N 2.99Å; E312-N314 PolarHBondContact OE1-ND2 3.44Å; N314-S316 PolarHBondContact O-N 3.2Å; N314-L399 HydrophobicContact CB-CD1 3.97Å; N314-L399 HydrophobicContact CB-CD2 4.02Å
315L93.5Very high93.1Very high1 Ų141.7 Ų41.71%0.00523%0.227CC..G310 helixtrans-75.9-7.2170.5-68171000113.2L308 E309 E312 P313 N317 L318 T319 L399 I400 A403L308-L315 HydrophobicContact CB-CD1 4.29Å; L308-L315 HydrophobicContact CD2-CD1 3.63Å; L308-L315 HydrophobicContact CG-CD1 3.71Å; E309-L315 HydrophobicContact CB-CB 4.46Å; E312-L315 HydrophobicContact CB-CD1 4Å; E312-L315 HydrophobicContact CB-CG 4.29Å; E312-L315 HydrophobicContact CG-CD1 4.25Å; E312-L315 HydrophobicContact CG-CG 4.06Å; E312-L315 WeakPolarHBondContact O-CB 3.4Å; E312-L315 PolarHBondContact O-N 3.08Å; P313-L315 PolarHBondContact O-N 3.41Å; P313-L315 VanDerWaalsContact O-N 3.15Å; L315-N317 VanDerWaalsContact C-N 3.29Å; L315-N317 PolarHBondContact O-N 3.38Å; L315-L318 HydrophobicContact CD2-CD2 4.03Å; L315-L318 WeakPolarHBondContact O-CB 3.44Å; L315-L318 PolarHBondContact O-N 3.33Å; L315-L318 VanDerWaalsContact O-N 3.08Å; L315-T319 HydrophobicContact CB-CG2 4.37Å; L315-T319 PolarHBondContact O-N 2.82Å; L315-T319 PolarHBondContact O-OG1 2.8Å; L315-L399 HydrophobicContact CD2-CB 3.61Å; L315-L399 HydrophobicContact CD2-CD1 4.3Å; L315-L399 HydrophobicContact CG-CB 4.12Å; L315-I400 HydrophobicContact CD2-CG1 4.12Å; L315-A403 HydrophobicContact CD1-CB 4.35Å
316S91.3Very high93Very high49 Ų4938.9 Ų38.934%0.34321%0.214SC..Hα-helixtrans-56.5-38.8-172.663.50000113.8P313 N314 T319 N320P313-S316 VanDerWaalsContact O-CB 3.26Å; P313-S316 WeakPolarHBondContact O-CB 3.44Å; P313-S316 PolarHBondContact O-N 3Å; P313-S316 PolarHBondContact O-OG 2.75Å; N314-S316 PolarHBondContact O-N 3.2Å; S316-T319 WeakPolarHBondContact CA-OG1 3.22Å; S316-T319 PolarHBondContact O-N 3.36Å; S316-T319 PolarHBondContact O-OG1 3.19Å; S316-N320 WeakPolarHBondContact O-CB 3.43Å; S316-N320 PolarHBondContact O-N 2.95Å; S316-N320 PolarHBondContact O-ND2 2.86Å; S316-N320 VanDerWaalsContact O-ND2 3.13Å; S316-N320 PolarHBondContact O-OD1 2.83Å
317N90.9Very high93.1Very high125 Ų12538.9 Ų38.967%0.66821%0.214SC*.Hα-helixtrans-64.8-45179.1-70.3-12.3000111.1L315 Q321L315-N317 VanDerWaalsContact C-N 3.29Å; L315-N317 PolarHBondContact O-N 3.38Å; N317-Q321 PolarHBondContact O-N 3.41Å
318L90.8Very high93.2Very high16 Ų1639.9 Ų39.98%0.08422%0.219CC..Hα-helixtrans-61.7-48.7176-179.774.6000110.7L315 N320 Q321 F322 I325 F340 L352 E396L315-L318 HydrophobicContact CD2-CD2 4.03Å; L315-L318 WeakPolarHBondContact O-CB 3.44Å; L315-L318 PolarHBondContact O-N 3.33Å; L315-L318 VanDerWaalsContact O-N 3.08Å; L318-N320 VanDerWaalsContact C-N 3.35Å; L318-N320 PolarHBondContact O-N 2.88Å; L318-Q321 PolarHBondContact O-N 2.99Å; L318-Q321 VanDerWaalsContact O-N 3.12Å; L318-F322 HydrophobicContact CD1-CD2 3.42Å; L318-F322 VanDerWaalsContact CD1-CD2 3.42Å; L318-F322 HydrophobicContact CD1-CE2 3.62Å; L318-F322 HydrophobicContact CG-CD2 4.15Å; L318-F322 WeakPolarHBondContact O-CD2 3.48Å; L318-F322 PolarHBondContact O-N 3.04Å; L318-I325 HydrophobicContact CD2-CD1 3.92Å; L318-F340 HydrophobicContact CD2-CE1 4.41Å; L318-F340 HydrophobicContact CD2-CZ 4.21Å; L318-F340 HydrophobicContact CG-CE1 4.37Å; L318-F340 HydrophobicContact CG-CZ 4.42Å; L318-L352 HydrophobicContact CD1-CD1 3.33Å; L318-L352 HydrophobicContact CD2-CD1 4.08Å; L318-L352 HydrophobicContact CG-CD1 4.29Å; L318-E396 HydrophobicContact CD1-CG 4.26Å; L318-E396 HydrophobicContact CD2-CB 4.23Å; L318-E396 HydrophobicContact CD2-CG 4.42Å
319T90.7Very high93.3Very high10 Ų1040 Ų406%0.06122%0.219CC..Hα-helixtrans-70.9-30.9-176.657.70000112.8E309 L315 S316 Q321 G323 I325E309-T319 HydrophobicContact CB-CG2 4.18Å; E309-T319 HydrophobicContact CG-CG2 4.44Å; L315-T319 HydrophobicContact CB-CG2 4.37Å; L315-T319 PolarHBondContact O-N 2.82Å; L315-T319 PolarHBondContact O-OG1 2.8Å; S316-T319 WeakPolarHBondContact CA-OG1 3.22Å; S316-T319 PolarHBondContact O-N 3.36Å; S316-T319 PolarHBondContact O-OG1 3.19Å; T319-Q321 VanDerWaalsContact C-N 3.26Å; T319-Q321 PolarHBondContact O-N 3.11Å; T319-G323 WeakPolarHBondContact CA-O 3.37Å; T319-G323 WeakPolarHBondContact CB-O 3.17Å; T319-G323 CarbonylContact O-C 3.22Å; T319-G323 VanDerWaalsContact O-C 3.22Å; T319-G323 WeakPolarHBondContact O-CA 3.25Å; T319-G323 PolarHBondContact O-N 2.8Å; T319-I325 HydrophobicContact CG2-CD1 4.38Å; T319-I325 HydrophobicContact CG2-CG1 4.17Å
320N89.9Confident93.6Very high118 Ų11840.3 Ų40.363%0.63123%0.225SC*.Hα-helixtrans-65.5-30.8171.8-72.6-18.6000112S316 L318 N345S316-N320 WeakPolarHBondContact O-CB 3.43Å; S316-N320 PolarHBondContact O-N 2.95Å; S316-N320 PolarHBondContact O-ND2 2.86Å; S316-N320 VanDerWaalsContact O-ND2 3.13Å; S316-N320 PolarHBondContact O-OD1 2.83Å; L318-N320 VanDerWaalsContact C-N 3.35Å; L318-N320 PolarHBondContact O-N 2.88Å; N320-N345 PolarHBondContact O-ND2 3.24Å
321Q89.9Confident93.7Very high108 Ų10844.2 Ų44.251%0.50524%0.235SC..Hα-helixtrans-84.8-42.4-178.9-175.8175.1-2.600113N317 L318 T319N317-Q321 PolarHBondContact O-N 3.41Å; L318-Q321 PolarHBondContact O-N 2.99Å; L318-Q321 VanDerWaalsContact O-N 3.12Å; T319-Q321 VanDerWaalsContact C-N 3.26Å; T319-Q321 PolarHBondContact O-N 3.11Å
322F90.1Very high93.8Very high22 Ų2243.5 Ų43.510%0.09623%0.232CC..Hα-helixtrans-113.6-8.4-169.9-59-72.3000114.6L318 F340 H342 N347 D349L318-F322 HydrophobicContact CD1-CD2 3.42Å; L318-F322 VanDerWaalsContact CD1-CD2 3.42Å; L318-F322 HydrophobicContact CD1-CE2 3.62Å; L318-F322 HydrophobicContact CG-CD2 4.15Å; L318-F322 WeakPolarHBondContact O-CD2 3.48Å; L318-F322 PolarHBondContact O-N 3.04Å; F322-F340 HydrophobicContact CB-CD1 4.02Å; F322-F340 HydrophobicContact CB-CE1 3.88Å; F322-F340 HydrophobicContact CB-CZ 4.47Å; F322-H342 PolarHBondContact O-CE1 2.95Å; F322-H342 PolarHBondContact O-ND1 3.43Å; F322-N347 HydrophobicContact CD1-CB 4.09Å; F322-N347 HydrophobicContact CE1-CB 4.43Å; F322-D349 HydrophobicContact CD1-CB 4.13Å; F322-D349 HydrophobicContact CE1-CB 3.83Å; F322-D349 HydrophobicContact CE2-CB 4.38Å; F322-D349 HydrophobicContact CZ-CB 3.95Å
323G91.6Very high93.9Very high4 Ų443.1 Ų43.14%0.04123%0.231CC..  trans105.4164.7-174.100000112.7T319 F340T319-G323 WeakPolarHBondContact CA-O 3.37Å; T319-G323 WeakPolarHBondContact CB-O 3.17Å; T319-G323 CarbonylContact O-C 3.22Å; T319-G323 VanDerWaalsContact O-C 3.22Å; T319-G323 WeakPolarHBondContact O-CA 3.25Å; T319-G323 PolarHBondContact O-N 2.8Å; G323-F340 WeakPolarHBondContact O-CD1 3.23Å
324S93.5Very high94.1Very high37 Ų3741.2 Ų41.226%0.25922%0.216SC..EExtended strand (participates in β ladder)trans-62.3141.8178.5-73.30000111.8E309 F340 D341E309-S324 WeakPolarHBondContact OE1-CA 3.27Å; E309-S324 WeakPolarHBondContact OE1-CB 3.2Å; E309-S324 PolarHBondContact OE1-OG 2.7Å; S324-F340 WeakPolarHBondContact O-CA 3.44Å; S324-D341 PolarHBondContact O-N 3.33Å
325I95.6Very high94.3Very high0 Ų036.1 Ų36.10%019%0.189CC..EExtended strand (participates in β ladder)trans-89.2112.9171.8-61.9169.4000107.9T307 L308 E309 L318 T319 I338 F340 L356 I400T307-I325 CarbonylContact C-O 3.49Å; T307-I325 WeakPolarHBondContact CA-O 3.44Å; L308-I325 HydrophobicContact CB-CB 3.88Å; L308-I325 HydrophobicContact CB-CG2 3.99Å; L308-I325 HydrophobicContact CD2-CB 4.24Å; L308-I325 HydrophobicContact CD2-CD1 4.27Å; L308-I325 HydrophobicContact CD2-CG2 3.79Å; L308-I325 PolarHBondContact N-O 2.97Å; E309-I325 PolarHBondContact OE2-N 2.99Å; L318-I325 HydrophobicContact CD2-CD1 3.92Å; T319-I325 HydrophobicContact CG2-CD1 4.38Å; T319-I325 HydrophobicContact CG2-CG1 4.17Å; I325-I338 HydrophobicContact CG2-CD1 3.73Å; I325-I338 HydrophobicContact CG2-CG1 3.69Å; I325-F340 HydrophobicContact CD1-CE1 3.82Å; I325-F340 HydrophobicContact CD1-CZ 3.98Å; I325-F340 HydrophobicContact CG1-CD1 3.72Å; I325-F340 HydrophobicContact CG1-CE1 3.4Å; I325-F340 VanDerWaalsContact CG1-CE1 3.4Å; I325-F340 HydrophobicContact CG1-CG 4.47Å; I325-F340 HydrophobicContact CG1-CZ 3.94Å; I325-L356 HydrophobicContact CG2-CD1 4.2Å; I325-L356 HydrophobicContact CG2-CD2 4.42Å; I325-I400 HydrophobicContact CD1-CD1 4.09Å; I325-I400 HydrophobicContact CD1-CG1 4.07Å
326V96.8Very high94.5Very high3 Ų340.3 Ų40.32%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-105.4136.3-175.7178.80000110Q305 L306 I338 Y339 D341Q305-V326 HydrophobicContact CB-CG1 4.09Å; L306-V326 WeakPolarHBondContact O-CA 3.46Å; V326-I338 VanDerWaalsContact O-CA 3.31Å; V326-I338 WeakPolarHBondContact O-CA 3.41Å; V326-Y339 HydrophobicContact CB-CE1 4.44Å; V326-Y339 HydrophobicContact CB-CE2 4.26Å; V326-Y339 HydrophobicContact CG1-CE1 4.34Å; V326-Y339 PolarHBondContact N-O 3.02Å; V326-Y339 PolarHBondContact O-N 2.92Å; V326-D341 HydrophobicContact CG2-CB 3.74Å
327I98.3Very high94.8Very high0 Ų039.2 Ų39.20%020%0.201CC..EExtended strand (participates in β ladder)trans-109.2123.1169.7-50.4170.3000108.3Q305 L306 L308 F329 F335 S337 I338 L404 I407Q305-I327 WeakPolarHBondContact CA-O 3.42Å; L306-I327 PolarHBondContact N-O 2.98Å; L306-I327 PolarHBondContact O-N 3.11Å; L308-I327 HydrophobicContact CD1-CD1 4.05Å; I327-F329 HydrophobicContact CB-CE2 3.85Å; I327-F329 HydrophobicContact CB-CZ 3.91Å; I327-F329 HydrophobicContact CG2-CD2 4.37Å; I327-F329 HydrophobicContact CG2-CE1 3.81Å; I327-F329 HydrophobicContact CG2-CE2 3.61Å; I327-F329 HydrophobicContact CG2-CZ 3.29Å; I327-F335 HydrophobicContact CG2-CD2 3.78Å; I327-F335 HydrophobicContact CG2-CE2 3.44Å; I327-F335 VanDerWaalsContact CG2-CE2 3.44Å; I327-F335 HydrophobicContact CG2-CZ 4.18Å; I327-S337 WeakPolarHBondContact CA-O 3.45Å; I327-I338 HydrophobicContact CD1-CD1 4.4Å; I327-I338 HydrophobicContact CG1-CB 4.33Å; I327-I338 HydrophobicContact CG1-CD1 3.88Å; I327-I338 HydrophobicContact CG1-CG1 3.94Å; I327-L404 HydrophobicContact CD1-CD2 3.55Å; I327-L404 HydrophobicContact CG1-CD2 4.46Å; I327-I407 HydrophobicContact CD1-CD1 3.74Å
328D98.3Very high95.2Very high31 Ų3133.5 Ų33.517%0.16617%0.17CC..EExtended strand (participates in β ladder)trans-94.8134.3174.1-84-11000111.4Q305 Q336 S337 Y339Q305-D328 VanDerWaalsContact CD-OD1 3.3Å; Q305-D328 WeakPolarHBondContact CG-OD1 3.41Å; Q305-D328 PolarHBondContact NE2-OD1 3.44Å; D328-Q336 HydrophobicContact CB-CB 4.34Å; D328-Q336 WeakPolarHBondContact O-CB 3.49Å; D328-Q336 PolarHBondContact O-N 2.92Å; D328-S337 PolarHBondContact N-O 3.31Å; D328-S337 PolarHBondContact O-N 3.26Å; D328-Y339 HydrophobicContact CB-CE1 4.38Å; D328-Y339 WeakPolarHBondContact OD2-CE1 3.47Å; D328-Y339 PolarHBondContact OD2-OH 3.42Å
329F98.3Very high95.4Very high3 Ų336.3 Ų36.31%0.01318%0.18CC..EExtended strand (participates in β ladder)trans-118.9124.1174.3-55.9-83.8000109.7S303 F304 L306 I327 I334 F335 C368 W373 F411S303-F329 VanDerWaalsContact CA-O 3.25Å; S303-F329 WeakPolarHBondContact CA-O 3.46Å; S303-F329 WeakPolarHBondContact CB-O 3.29Å; F304-F329 HydrophobicContact CD1-CB 3.78Å; F304-F329 HydrophobicContact CD1-CG 4.4Å; F304-F329 HydrophobicContact CD2-CB 4.14Å; F304-F329 AromaticContact CD2-CD2 3.39Å; F304-F329 HydrophobicContact CD2-CD2 3.39Å; F304-F329 HydrophobicContact CD2-CE2 4.06Å; F304-F329 AromaticContact CD2-CG 3.97Å; F304-F329 HydrophobicContact CD2-CG 3.97Å; F304-F329 HydrophobicContact CE1-CB 3.59Å; F304-F329 HydrophobicContact CE1-CD2 4.39Å; F304-F329 AromaticContact CE1-CG 3.99Å; F304-F329 HydrophobicContact CE1-CG 3.99Å; F304-F329 HydrophobicContact CE2-CB 3.97Å; F304-F329 HydrophobicContact CE2-CD1 4.25Å; F304-F329 AromaticContact CE2-CD2 3.16Å; F304-F329 HydrophobicContact CE2-CD2 3.16Å; F304-F329 AromaticContact CE2-CE2 3.63Å; F304-F329 HydrophobicContact CE2-CE2 3.63Å; F304-F329 AromaticContact CE2-CG 3.51Å; F304-F329 HydrophobicContact CE2-CG 3.51Å; F304-F329 HydrophobicContact CE2-CZ 4.32Å; F304-F329 HydrophobicContact CG-CB 4.06Å; F304-F329 HydrophobicContact CG-CD2 4.12Å; F304-F329 HydrophobicContact CG-CG 4.4Å; F304-F329 HydrophobicContact CZ-CB 3.69Å; F304-F329 HydrophobicContact CZ-CD1 4.06Å; F304-F329 AromaticContact CZ-CD2 3.73Å; F304-F329 HydrophobicContact CZ-CD2 3.73Å; F304-F329 HydrophobicContact CZ-CE2 4.37Å; F304-F329 AromaticContact CZ-CG 3.52Å; F304-F329 HydrophobicContact CZ-CG 3.52Å; F304-F329 PolarHBondContact N-O 3.4Å; F304-F329 VanDerWaalsContact N-O 3.11Å; F304-F329 WeakPolarHBondContact O-CB 3.45Å; F304-F329 WeakPolarHBondContact O-CD2 3.42Å; F304-F329 PolarHBondContact O-N 3.03Å; L306-F329 HydrophobicContact CB-CE2 3.99Å; L306-F329 HydrophobicContact CD1-CE2 3.82Å; L306-F329 HydrophobicContact CD1-CZ 4.05Å; L306-F329 HydrophobicContact CG-CE2 3.71Å; L306-F329 HydrophobicContact CG-CZ 4.43Å; I327-F329 HydrophobicContact CB-CE2 3.85Å; I327-F329 HydrophobicContact CB-CZ 3.91Å; I327-F329 HydrophobicContact CG2-CD2 4.37Å; I327-F329 HydrophobicContact CG2-CE1 3.81Å; I327-F329 HydrophobicContact CG2-CE2 3.61Å; I327-F329 HydrophobicContact CG2-CZ 3.29Å; F329-I334 CarbonylContact C-O 2.93Å; F329-I334 VanDerWaalsContact CA-O 3.31Å; F329-I334 WeakPolarHBondContact CA-O 3.38Å; F329-F335 HydrophobicContact CE1-CD2 4.19Å; F329-C368 WeakPolarHBondContact CD1-SG 3.49Å; F329-C368 VanDerWaalsContact CE1-SG 3.53Å; F329-W373 AromaticContact CE1-CH2 3.55Å; F329-W373 HydrophobicContact CE1-CH2 3.55Å; F329-W373 AromaticContact CE1-CZ2 3.71Å; F329-W373 HydrophobicContact CE1-CZ2 3.71Å; F329-W373 AromaticContact CZ-CH2 3.81Å; F329-W373 HydrophobicContact CZ-CH2 3.81Å; F329-W373 HydrophobicContact CZ-CZ2 4.41Å; F329-F411 HydrophobicContact CE1-CE2 4.24Å; F329-F411 HydrophobicContact CE1-CZ 4.04Å; F329-F411 HydrophobicContact CZ-CE2 4.3Å; F329-F411 AromaticContact CZ-CZ 3.91Å; F329-F411 HydrophobicContact CZ-CZ 3.91Å
330S97.5Very high95.6Very high40 Ų4036.1 Ų36.128%0.2818%0.178SC..EExtended strand (participates in β ladder)trans-73.8175171.374.90000110.9G332 G333 I334S330-G332 PolarHBondContact O-N 3.32Å; S330-G333 PolarHBondContact O-N 2.86Å; S330-I334 PolarHBondContact N-O 2.83Å; S330-I334 WeakPolarHBondContact OG-CB 3.39Å; S330-I334 PolarHBondContact OG-O 3.21Å
331R95.8Very high95.7Very high152 Ų15233.1 Ų33.157%0.57416%0.162SC*.THydrogen-bonded Turntrans-53.9137.4-177.3-170-174.2-177176.80.3110.6H300 S301H300-R331 PolarHBondContact ND1-NH2 3.48Å; S301-R331 WeakPolarHBondContact O-CA 3.27Å; S301-R331 WeakPolarHBondContact O-CG 3.29Å
332G95.2Very high95.3Very high2 Ų231 Ų312%0.02115%0.152CC..THydrogen-bonded Turntrans93.3-4.917900000114.1W294 Y298 G299 S301 S330W294-G332 WeakPolarHBondContact CH2-O 3.49Å; W294-G332 WeakPolarHBondContact CZ2-O 3.5Å; Y298-G332 WeakPolarHBondContact O-CA 3.39Å; G299-G332 VanDerWaalsContact O-CA 3.32Å; G299-G332 WeakPolarHBondContact O-CA 3.47Å; S301-G332 PolarHBondContact O-N 3.1Å; S330-G332 PolarHBondContact O-N 3.32Å
333G96Very high94.7Very high0 Ų034.2 Ų34.20%018%0.178CC..THydrogen-bonded Turntrans75.460-172.400000110.4S330 E367 C368S330-G333 PolarHBondContact O-N 2.86Å; G333-E367 CarbonylContact O-C 3.52Å; G333-C368 VanDerWaalsContact C-SG 3.59Å; G333-C368 WeakPolarHBondContact O-CB 3.4Å; G333-C368 PolarHBondContact O-N 2.89Å; G333-C368 PolarHBondContact O-SG 3.35Å; G333-C368 VanDerWaalsContact O-SG 3.39Å
334I97.2Very high93.4Very high38 Ų3841.9 Ų41.920%0.19521%0.212CC..EExtended strand (participates in β ladder)trans-117.1123.9174.4-56-62.5000106.9W294 F329 S330 Q336 E367W294-I334 HydrophobicContact CH2-CD1 3.63Å; W294-I334 HydrophobicContact CH2-CG1 4.47Å; W294-I334 HydrophobicContact CZ3-CD1 4.24Å; F329-I334 CarbonylContact C-O 2.93Å; F329-I334 VanDerWaalsContact CA-O 3.31Å; F329-I334 WeakPolarHBondContact CA-O 3.38Å; S330-I334 PolarHBondContact N-O 2.83Å; S330-I334 WeakPolarHBondContact OG-CB 3.39Å; S330-I334 PolarHBondContact OG-O 3.21Å; I334-Q336 PolarHBondContact O-N 2.86Å; I334-E367 HydrophobicContact CD1-CB 4.28Å; I334-E367 HydrophobicContact CD1-CG 3.65Å
335F98.3Very high92.2Very high0 Ų043 Ų430%022%0.215CC..EExtended strand (participates in β ladder)trans-57.9125.3176.3-175.5-73.8000109.9I327 F329 I338 L363 G365 A366 W373I327-F335 HydrophobicContact CG2-CD2 3.78Å; I327-F335 HydrophobicContact CG2-CE2 3.44Å; I327-F335 VanDerWaalsContact CG2-CE2 3.44Å; I327-F335 HydrophobicContact CG2-CZ 4.18Å; F329-F335 HydrophobicContact CE1-CD2 4.19Å; F335-I338 HydrophobicContact CZ-CB 3.91Å; F335-I338 HydrophobicContact CZ-CG2 3.91Å; F335-L363 WeakPolarHBondContact CB-O 3.28Å; F335-L363 HydrophobicContact CD1-CB 3.53Å; F335-L363 WeakPolarHBondContact CD1-O 3.39Å; F335-L363 HydrophobicContact CD2-CB 4.03Å; F335-L363 HydrophobicContact CD2-CD1 4.03Å; F335-L363 HydrophobicContact CE1-CB 3.62Å; F335-L363 HydrophobicContact CE2-CB 4.07Å; F335-L363 HydrophobicContact CE2-CD1 3.65Å; F335-L363 HydrophobicContact CG-CB 3.77Å; F335-L363 HydrophobicContact CZ-CB 3.88Å; F335-L363 HydrophobicContact CZ-CD1 3.95Å; F335-G365 PolarHBondContact O-N 3.35Å; F335-A366 HydrophobicContact CB-CB 4.41Å; F335-A366 PolarHBondContact N-O 2.93Å; F335-W373 HydrophobicContact CB-CZ2 4.34Å; F335-W373 AromaticContact CD2-CH2 3.83Å; F335-W373 HydrophobicContact CD2-CH2 3.83Å; F335-W373 AromaticContact CD2-CZ2 3.96Å; F335-W373 HydrophobicContact CD2-CZ2 3.96Å; F335-W373 HydrophobicContact CD2-CZ3 4.37Å; F335-W373 HydrophobicContact CE2-CH2 4.48Å
336Q98.3Very high91.2Very high88 Ų8846.5 Ų46.541%0.41125%0.251SS..EExtended strand (participates in β ladder)trans-107.3-53.6-179.1-177.1172.5-5.600111.3D328 I334 H364D328-Q336 HydrophobicContact CB-CB 4.34Å; D328-Q336 WeakPolarHBondContact O-CB 3.49Å; D328-Q336 PolarHBondContact O-N 2.92Å; I334-Q336 PolarHBondContact O-N 2.86Å; Q336-H364 PolarHBondContact O-ND1 3.34Å
337S98.3Very high90.4Very high27 Ų2751.1 Ų51.119%0.18928%0.276CS..EExtended strand (participates in β ladder)trans-162.2157.7-176.646.30000112.4I327 D328I327-S337 WeakPolarHBondContact CA-O 3.45Å; D328-S337 PolarHBondContact N-O 3.31Å; D328-S337 PolarHBondContact O-N 3.26Å
338I98.2Very high89.7Confident4 Ų455 Ų552%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-127.6134.5167.5-175.8172.3000109.4L308 I325 V326 I327 F335 L356 I359 T360 I400 L404L308-I338 HydrophobicContact CD2-CD1 4.38Å; I325-I338 HydrophobicContact CG2-CD1 3.73Å; I325-I338 HydrophobicContact CG2-CG1 3.69Å; V326-I338 VanDerWaalsContact O-CA 3.31Å; V326-I338 WeakPolarHBondContact O-CA 3.41Å; I327-I338 HydrophobicContact CD1-CD1 4.4Å; I327-I338 HydrophobicContact CG1-CB 4.33Å; I327-I338 HydrophobicContact CG1-CD1 3.88Å; I327-I338 HydrophobicContact CG1-CG1 3.94Å; F335-I338 HydrophobicContact CZ-CB 3.91Å; F335-I338 HydrophobicContact CZ-CG2 3.91Å; I338-L356 HydrophobicContact CD1-CD2 3.81Å; I338-L356 HydrophobicContact CG1-CD2 3.95Å; I338-L356 HydrophobicContact CG2-CB 4.31Å; I338-L356 HydrophobicContact CG2-CD2 4.23Å; I338-L356 WeakPolarHBondContact CG2-O 3.31Å; I338-I359 HydrophobicContact CG2-CB 4.06Å; I338-I359 HydrophobicContact CG2-CG2 3.74Å; I338-T360 WeakPolarHBondContact CG2-OG1 3.43Å; I338-T360 PolarHBondContact N-OG1 3.21Å; I338-T360 PolarHBondContact O-OG1 3.39Å; I338-I400 HydrophobicContact CD1-CG2 4.47Å; I338-L404 HydrophobicContact CD1-CD1 4.38Å; I338-L404 HydrophobicContact CD1-CD2 4.14Å
339Y96.4Very high89.2Confident75 Ų7555.5 Ų55.529%0.29430%0.302SS..EExtended strand (participates in β ladder)trans-160.1166.2-17460.8-85.4000112V326 D328V326-Y339 HydrophobicContact CB-CE1 4.44Å; V326-Y339 HydrophobicContact CB-CE2 4.26Å; V326-Y339 HydrophobicContact CG1-CE1 4.34Å; V326-Y339 PolarHBondContact N-O 3.02Å; V326-Y339 PolarHBondContact O-N 2.92Å; D328-Y339 HydrophobicContact CB-CE1 4.38Å; D328-Y339 WeakPolarHBondContact OD2-CE1 3.47Å; D328-Y339 PolarHBondContact OD2-OH 3.42Å
340F94.6Very high88.8Confident7 Ų759.5 Ų59.53%0.03133%0.328CS..EExtended strand (participates in β ladder)trans-81.8126.2169.2-75.1-81.6000111.1L318 F322 G323 S324 I325 H342 L352 N353 L356L318-F340 HydrophobicContact CD2-CE1 4.41Å; L318-F340 HydrophobicContact CD2-CZ 4.21Å; L318-F340 HydrophobicContact CG-CE1 4.37Å; L318-F340 HydrophobicContact CG-CZ 4.42Å; F322-F340 HydrophobicContact CB-CD1 4.02Å; F322-F340 HydrophobicContact CB-CE1 3.88Å; F322-F340 HydrophobicContact CB-CZ 4.47Å; G323-F340 WeakPolarHBondContact O-CD1 3.23Å; S324-F340 WeakPolarHBondContact O-CA 3.44Å; I325-F340 HydrophobicContact CD1-CE1 3.82Å; I325-F340 HydrophobicContact CD1-CZ 3.98Å; I325-F340 HydrophobicContact CG1-CD1 3.72Å; I325-F340 HydrophobicContact CG1-CE1 3.4Å; I325-F340 VanDerWaalsContact CG1-CE1 3.4Å; I325-F340 HydrophobicContact CG1-CG 4.47Å; I325-F340 HydrophobicContact CG1-CZ 3.94Å; F340-H342 WeakPolarHBondContact CB-CE1 3.37Å; F340-H342 PolarHBondContact O-CD2 2.97Å; F340-H342 PolarHBondContact O-N 2.96Å; F340-L352 HydrophobicContact CE2-CB 3.9Å; F340-L352 HydrophobicContact CZ-CB 4.2Å; F340-L352 HydrophobicContact CZ-CD1 4.37Å; F340-N353 WeakPolarHBondContact CD2-OD1 3.38Å; F340-L356 HydrophobicContact CD2-CD1 3.5Å; F340-L356 HydrophobicContact CE2-CD1 3.5Å; F340-L356 HydrophobicContact CE2-CG 4.35Å; F340-L356 HydrophobicContact CG-CD1 4.27Å; F340-L356 HydrophobicContact CZ-CD1 4.27Å
341D92Very high88.5Confident54 Ų5461 Ų6129%0.28934%0.339SS..EExtended strand (participates in β ladder)trans-80.695168.7-177.70.4000109.9S324 V326 S343S324-D341 PolarHBondContact O-N 3.33Å; V326-D341 HydrophobicContact CG2-CB 3.74Å; D341-S343 VanDerWaalsContact CG-OG 3.29Å; D341-S343 PolarHBondContact O-N 3.38Å; D341-S343 WeakPolarHBondContact OD1-CB 3.48Å; D341-S343 PolarHBondContact OD1-N 3.03Å; D341-S343 PolarHBondContact OD1-OG 2.95Å; D341-S343 PolarHBondContact OD2-OG 3.2Å
342H81.5Confident88.4Confident63 Ų6354 Ų5429%0.29231%0.313SS..THydrogen-bonded Turntrans-78.812179.8-62.5-59.5000114.3F322 F340 Q344 N345 N347F322-H342 PolarHBondContact O-CE1 2.95Å; F322-H342 PolarHBondContact O-ND1 3.43Å; F340-H342 WeakPolarHBondContact CB-CE1 3.37Å; F340-H342 PolarHBondContact O-CD2 2.97Å; F340-H342 PolarHBondContact O-N 2.96Å; H342-Q344 PolarHBondContact O-N 3.49Å; H342-Q344 VanDerWaalsContact O-N 3.08Å; H342-N345 WeakPolarHBondContact CB-O 3.43Å; H342-N345 PolarHBondContact O-N 3.26Å; H342-N347 PolarHBondContact CE1-O 3.49Å; H342-N347 PolarHBondContact ND1-O 3.25Å
343S76.8Confident88.4Confident91 Ų9155.4 Ų55.464%0.63632%0.32SS*.THydrogen-bonded Turntrans-58.2-23.9179.455.80000114D341D341-S343 VanDerWaalsContact CG-OG 3.29Å; D341-S343 PolarHBondContact O-N 3.38Å; D341-S343 WeakPolarHBondContact OD1-CB 3.48Å; D341-S343 PolarHBondContact OD1-N 3.03Å; D341-S343 PolarHBondContact OD1-OG 2.95Å; D341-S343 PolarHBondContact OD2-OG 3.2Å
344Q65.5Low88.3Confident165 Ų16560.3 Ų60.377%0.77135%0.346SS*.SBendtrans-104.6-29.1-179.3-59.1-16918.100114.1H342H342-Q344 PolarHBondContact O-N 3.49Å; H342-Q344 VanDerWaalsContact O-N 3.08Å
345N67Low88.3Confident59 Ų5958.6 Ų58.632%0.31634%0.338SS..  trans-137.8128.6-174.5-74.7-24.9000110.7N320 H342 N347N320-N345 PolarHBondContact O-ND2 3.24Å; H342-N345 WeakPolarHBondContact CB-O 3.43Å; H342-N345 PolarHBondContact O-N 3.26Å; N345-N347 VanDerWaalsContact C-N 3.29Å; N345-N347 PolarHBondContact O-N 2.87Å
346G74.2Confident88.3Confident74 Ų7458.7 Ų58.776%0.76334%0.338SS*.  trans-83.63.817800000115.1
347N81.5Confident88.2Confident100 Ų10057.7 Ų57.754%0.53534%0.341SS..  trans-79.3136.5178-75.4-17.8000110.6F322 H342 N345F322-N347 HydrophobicContact CD1-CB 4.09Å; F322-N347 HydrophobicContact CE1-CB 4.43Å; H342-N347 PolarHBondContact CE1-O 3.49Å; H342-N347 PolarHBondContact ND1-O 3.25Å; N345-N347 VanDerWaalsContact C-N 3.29Å; N345-N347 PolarHBondContact O-N 2.87Å
348V82.8Confident88.2Confident82 Ų8258.8 Ų58.850%0.49734%0.343SS..  trans-125.9127.7-177.3179.20000107.7P350 N353V348-P350 WeakPolarHBondContact O-CD 2.92Å; V348-N353 WeakPolarHBondContact CG1-ND2 3.33Å
349D87.8Confident88.2Confident41 Ų4158.7 Ų58.722%0.21934%0.342CS..  trans-92.3109162.7-176.9-30.7000108F322 S351 L352 N353F322-D349 HydrophobicContact CD1-CB 4.13Å; F322-D349 HydrophobicContact CE1-CB 3.83Å; F322-D349 HydrophobicContact CE2-CB 4.38Å; F322-D349 HydrophobicContact CZ-CB 3.95Å; D349-S351 VanDerWaalsContact C-N 3.32Å; D349-S351 PolarHBondContact O-N 3.29Å; D349-S351 WeakPolarHBondContact OD1-CB 3.47Å; D349-S351 PolarHBondContact OD1-N 3.05Å; D349-L352 HydrophobicContact CB-CB 4.08Å; D349-L352 HydrophobicContact CB-CD1 4.19Å; D349-L352 HydrophobicContact CB-CG 4.36Å; D349-L352 PolarHBondContact O-N 3.32Å; D349-L352 PolarHBondContact OD1-N 3.05Å; D349-L352 VanDerWaalsContact OD1-N 3.14Å; D349-L352 WeakPolarHBondContact OD2-CD1 3.38Å; D349-N353 WeakPolarHBondContact O-CB 3.41Å; D349-N353 PolarHBondContact O-N 3.42Å; D349-N353 PolarHBondContact O-ND2 3.32Å
350P89.8Confident88.3Confident87 Ų8756.3 Ų56.357%0.56534%0.336SS*.Hα-helixtrans-61-39.5-178.2-23.635000112.8V348 N353 D354V348-P350 WeakPolarHBondContact O-CD 2.92Å; P350-N353 PolarHBondContact O-N 3.49Å; P350-D354 WeakPolarHBondContact O-CB 3.5Å; P350-D354 VanDerWaalsContact O-CG 3.32Å; P350-D354 PolarHBondContact O-N 2.74Å
351S91.7Very high88.5Confident73 Ų7362.5 Ų62.551%0.5137%0.368SS..Hα-helixtrans-65.6-44.1-177.6179.80000111.4D349 F355D349-S351 VanDerWaalsContact C-N 3.32Å; D349-S351 PolarHBondContact O-N 3.29Å; D349-S351 WeakPolarHBondContact OD1-CB 3.47Å; D349-S351 PolarHBondContact OD1-N 3.05Å; S351-F355 WeakPolarHBondContact O-CB 3.44Å; S351-F355 PolarHBondContact O-N 3.39Å
352L93.7Very high88.7Confident4 Ų462.8 Ų62.82%0.02137%0.368CS..Hα-helixtrans-72-34176.9-69.1175.2000112.5L318 F340 D349 F355 L356 E396 Q397 I400L318-L352 HydrophobicContact CD1-CD1 3.33Å; L318-L352 HydrophobicContact CD2-CD1 4.08Å; L318-L352 HydrophobicContact CG-CD1 4.29Å; F340-L352 HydrophobicContact CE2-CB 3.9Å; F340-L352 HydrophobicContact CZ-CB 4.2Å; F340-L352 HydrophobicContact CZ-CD1 4.37Å; D349-L352 HydrophobicContact CB-CB 4.08Å; D349-L352 HydrophobicContact CB-CD1 4.19Å; D349-L352 HydrophobicContact CB-CG 4.36Å; D349-L352 PolarHBondContact O-N 3.32Å; D349-L352 PolarHBondContact OD1-N 3.05Å; D349-L352 VanDerWaalsContact OD1-N 3.14Å; D349-L352 WeakPolarHBondContact OD2-CD1 3.38Å; L352-F355 WeakPolarHBondContact O-CB 3.37Å; L352-F355 PolarHBondContact O-N 2.97Å; L352-L356 WeakPolarHBondContact O-CG 3.45Å; L352-L356 PolarHBondContact O-N 3.43Å; L352-E396 HydrophobicContact CD1-CB 4.43Å; L352-E396 HydrophobicContact CD2-CB 4.18Å; L352-Q397 HydrophobicContact CD2-CG 3.84Å; L352-I400 HydrophobicContact CD2-CD1 4.47Å
353N93.9Very high89.5Confident32 Ų3259.8 Ų59.817%0.17135%0.354CS..Hα-helixtrans-65.5-41.1174.1-84.6-65.9000112.6F340 V348 D349 P350 F355 L356 S357F340-N353 WeakPolarHBondContact CD2-OD1 3.38Å; V348-N353 WeakPolarHBondContact CG1-ND2 3.33Å; D349-N353 WeakPolarHBondContact O-CB 3.41Å; D349-N353 PolarHBondContact O-N 3.42Å; D349-N353 PolarHBondContact O-ND2 3.32Å; P350-N353 PolarHBondContact O-N 3.49Å; N353-F355 VanDerWaalsContact C-N 3.31Å; N353-F355 PolarHBondContact O-N 3.42Å; N353-L356 PolarHBondContact O-N 3.2Å; N353-S357 WeakPolarHBondContact O-CB 3.41Å; N353-S357 PolarHBondContact O-N 2.91Å; N353-S357 PolarHBondContact O-OG 3.22Å
354D95.1Very high90.5Very high103 Ų10361.3 Ų61.355%0.55135%0.351SS*.Hα-helixtrans-62.1-42.6173.1-72.7-17.5000110.4P350 L356 S357 E358P350-D354 WeakPolarHBondContact O-CB 3.5Å; P350-D354 VanDerWaalsContact O-CG 3.32Å; P350-D354 PolarHBondContact O-N 2.74Å; D354-L356 PolarHBondContact O-N 2.76Å; D354-S357 WeakPolarHBondContact O-CB 3.44Å; D354-S357 PolarHBondContact O-N 3.37Å; D354-E358 WeakPolarHBondContact O-CG 3.48Å; D354-E358 PolarHBondContact O-N 3.48Å
355F96.8Very high92Very high2 Ų255.5 Ų55.51%0.00934%0.335CS..Hα-helixtrans-59.8-46.6175.8-175.9-103.2000113.1S351 L352 N353 S357 E358 I359 F380 K384 M393 Q397 I400 I401S351-F355 WeakPolarHBondContact O-CB 3.44Å; S351-F355 PolarHBondContact O-N 3.39Å; L352-F355 WeakPolarHBondContact O-CB 3.37Å; L352-F355 PolarHBondContact O-N 2.97Å; N353-F355 VanDerWaalsContact C-N 3.31Å; N353-F355 PolarHBondContact O-N 3.42Å; F355-S357 VanDerWaalsContact C-N 3.32Å; F355-S357 PolarHBondContact O-N 3.3Å; F355-E358 PolarHBondContact O-N 2.94Å; F355-I359 HydrophobicContact CD1-CD1 3.76Å; F355-I359 HydrophobicContact CE1-CD1 3.32Å; F355-I359 HydrophobicContact CE1-CG1 4.3Å; F355-I359 HydrophobicContact CZ-CD1 3.83Å; F355-I359 WeakPolarHBondContact O-CG1 3.15Å; F355-I359 PolarHBondContact O-N 2.83Å; F355-F380 HydrophobicContact CD2-CE1 4.25Å; F355-F380 AromaticContact CD2-CZ 3.92Å; F355-F380 HydrophobicContact CD2-CZ 3.92Å; F355-F380 AromaticContact CE2-CE1 3.45Å; F355-F380 HydrophobicContact CE2-CE1 3.45Å; F355-F380 VanDerWaalsContact CE2-CE1 3.45Å; F355-F380 AromaticContact CE2-CZ 3.57Å; F355-F380 HydrophobicContact CE2-CZ 3.57Å; F355-F380 AromaticContact CZ-CE1 3.64Å; F355-F380 HydrophobicContact CZ-CE1 3.64Å; F355-F380 HydrophobicContact CZ-CZ 4.14Å; F355-K384 HydrophobicContact CE2-CG 4.47Å; F355-M393 HydrophobicContact CE2-SD 3.76Å; F355-M393 HydrophobicContact CZ-SD 4.02Å; F355-Q397 HydrophobicContact CD1-CB 4.31Å; F355-Q397 HydrophobicContact CD1-CG 3.84Å; F355-Q397 HydrophobicContact CD2-CB 4.4Å; F355-Q397 HydrophobicContact CD2-CG 3.84Å; F355-Q397 HydrophobicContact CE1-CB 3.79Å; F355-Q397 HydrophobicContact CE1-CG 3.85Å; F355-Q397 HydrophobicContact CE2-CB 3.92Å; F355-Q397 HydrophobicContact CE2-CG 3.87Å; F355-Q397 HydrophobicContact CG-CG 3.82Å; F355-Q397 HydrophobicContact CZ-CB 3.58Å; F355-Q397 HydrophobicContact CZ-CG 3.88Å; F355-I400 HydrophobicContact CD1-CD1 4.28Å; F355-I400 HydrophobicContact CE1-CB 4.24Å; F355-I400 HydrophobicContact CE1-CD1 4.31Å; F355-I400 HydrophobicContact CE1-CG2 4.12Å; F355-I401 HydrophobicContact CZ-CD1 4.15Å; F355-I401 HydrophobicContact CZ-CG1 4.06Å
356L97.7Very high93.5Very high1 Ų153.4 Ų53.41%0.00533%0.326CS..Hα-helixtrans-64.9-36.1175.9-68.6-173.2000112.3I325 I338 F340 L352 N353 D354 E358 I359 T360 I400I325-L356 HydrophobicContact CG2-CD1 4.2Å; I325-L356 HydrophobicContact CG2-CD2 4.42Å; I338-L356 HydrophobicContact CD1-CD2 3.81Å; I338-L356 HydrophobicContact CG1-CD2 3.95Å; I338-L356 HydrophobicContact CG2-CB 4.31Å; I338-L356 HydrophobicContact CG2-CD2 4.23Å; I338-L356 WeakPolarHBondContact CG2-O 3.31Å; F340-L356 HydrophobicContact CD2-CD1 3.5Å; F340-L356 HydrophobicContact CE2-CD1 3.5Å; F340-L356 HydrophobicContact CE2-CG 4.35Å; F340-L356 HydrophobicContact CG-CD1 4.27Å; F340-L356 HydrophobicContact CZ-CD1 4.27Å; L352-L356 WeakPolarHBondContact O-CG 3.45Å; L352-L356 PolarHBondContact O-N 3.43Å; N353-L356 PolarHBondContact O-N 3.2Å; D354-L356 PolarHBondContact O-N 2.76Å; L356-E358 VanDerWaalsContact C-N 3.35Å; L356-I359 PolarHBondContact O-N 2.83Å; L356-T360 WeakPolarHBondContact O-CB 3.42Å; L356-T360 PolarHBondContact O-N 3.47Å; L356-T360 PolarHBondContact O-OG1 2.71Å; L356-I400 HydrophobicContact CD2-CD1 4.05Å; L356-I400 HydrophobicContact CD2-CG2 4.05Å
357S97.5Very high94.5Very high67 Ų6752.9 Ų52.947%0.46930%0.303SS..Hα-helixtrans-64.5-40.7175.2-60.90000111.3N353 D354 F355 T360 L361N353-S357 WeakPolarHBondContact O-CB 3.41Å; N353-S357 PolarHBondContact O-N 2.91Å; N353-S357 PolarHBondContact O-OG 3.22Å; D354-S357 WeakPolarHBondContact O-CB 3.44Å; D354-S357 PolarHBondContact O-N 3.37Å; F355-S357 VanDerWaalsContact C-N 3.32Å; F355-S357 PolarHBondContact O-N 3.3Å; S357-T360 WeakPolarHBondContact O-CB 3.4Å; S357-T360 PolarHBondContact O-N 3.48Å; S357-L361 WeakPolarHBondContact O-CG 3.45Å; S357-L361 PolarHBondContact O-N 3.07Å; S357-L361 VanDerWaalsContact O-N 3.08Å
358E98Very high95.1Very high51 Ų5148.1 Ų48.124%0.23828%0.278CS..Hα-helixtrans-67.4-43.2174.3-70.3-177.6-133.400112.6D354 F355 L356 T360 L361 H362 F380 K384D354-E358 WeakPolarHBondContact O-CG 3.48Å; D354-E358 PolarHBondContact O-N 3.48Å; F355-E358 PolarHBondContact O-N 2.94Å; L356-E358 VanDerWaalsContact C-N 3.35Å; E358-T360 PolarHBondContact O-N 2.99Å; E358-L361 PolarHBondContact O-N 2.98Å; E358-L361 VanDerWaalsContact O-N 3.15Å; E358-H362 PolarHBondContact O-N 2.62Å; E358-H362 VanDerWaalsContact O-N 3.11Å; E358-H362 PolarHBondContact O-ND1 3.14Å; E358-F380 HydrophobicContact CB-CE2 3.79Å; E358-F380 HydrophobicContact CB-CZ 4.24Å; E358-K384 IonicContact OE1-NZ 2.68Å; E358-K384 PolarHBondContact OE1-NZ 2.83Å; E358-K384 WeakPolarHBondContact OE2-CE 3.38Å; E358-K384 IonicContact OE2-NZ 2.67Å; E358-K384 PolarHBondContact OE2-NZ 2.84Å
359I98.2Very high95.6Very high1 Ų149.8 Ų49.81%0.00528%0.275CS..Hα-helixtrans-57-43.8172.9-71.4174.1000110I338 F355 L356 L361 H362 L363 F380 I400 I401 L404I338-I359 HydrophobicContact CG2-CB 4.06Å; I338-I359 HydrophobicContact CG2-CG2 3.74Å; F355-I359 HydrophobicContact CD1-CD1 3.76Å; F355-I359 HydrophobicContact CE1-CD1 3.32Å; F355-I359 HydrophobicContact CE1-CG1 4.3Å; F355-I359 HydrophobicContact CZ-CD1 3.83Å; F355-I359 WeakPolarHBondContact O-CG1 3.15Å; F355-I359 PolarHBondContact O-N 2.83Å; L356-I359 PolarHBondContact O-N 2.83Å; I359-L361 VanDerWaalsContact C-N 3.3Å; I359-L361 PolarHBondContact O-N 3.44Å; I359-H362 PolarHBondContact O-N 2.68Å; I359-H362 VanDerWaalsContact O-N 3.11Å; I359-L363 HydrophobicContact CG2-CD1 3.78Å; I359-L363 HydrophobicContact CG2-CG 4.35Å; I359-L363 PolarHBondContact O-N 2.98Å; I359-F380 HydrophobicContact CD1-CE1 4.12Å; I359-F380 HydrophobicContact CG1-CD1 4.17Å; I359-F380 HydrophobicContact CG1-CE1 3.55Å; I359-F380 HydrophobicContact CG1-CE2 4.41Å; I359-F380 HydrophobicContact CG1-CZ 3.68Å; I359-I400 HydrophobicContact CD1-CG2 3.8Å; I359-I401 HydrophobicContact CD1-CD1 3.96Å; I359-I401 HydrophobicContact CG1-CD1 4.5Å; I359-L404 HydrophobicContact CD1-CD1 4Å; I359-L404 HydrophobicContact CG2-CD1 3.78Å
360T98.4Very high95.9Very high25 Ų2551.5 Ų51.515%0.15329%0.288CS..Hα-helixtrans-53.8-48.8176.7-69.40000110.9I338 L356 S357 E358 H362 L363 H364I338-T360 WeakPolarHBondContact CG2-OG1 3.43Å; I338-T360 PolarHBondContact N-OG1 3.21Å; I338-T360 PolarHBondContact O-OG1 3.39Å; L356-T360 WeakPolarHBondContact O-CB 3.42Å; L356-T360 PolarHBondContact O-N 3.47Å; L356-T360 PolarHBondContact O-OG1 2.71Å; S357-T360 WeakPolarHBondContact O-CB 3.4Å; S357-T360 PolarHBondContact O-N 3.48Å; E358-T360 PolarHBondContact O-N 2.99Å; T360-H362 VanDerWaalsContact C-N 3.33Å; T360-H362 PolarHBondContact O-N 2.67Å; T360-L363 PolarHBondContact O-N 3Å; T360-H364 WeakPolarHBondContact O-CA 3.33Å; T360-H364 VanDerWaalsContact O-CB 3.26Å; T360-H364 WeakPolarHBondContact O-CB 3.48Å; T360-H364 PolarHBondContact O-N 3.34Å
361L97.9Very high96.2Very high138 Ų13852.3 Ų52.372%0.72328%0.284SS*.Hα-helixtrans-62.4-36179-68.5172.4000113.3S357 E358 I359S357-L361 WeakPolarHBondContact O-CG 3.45Å; S357-L361 PolarHBondContact O-N 3.07Å; S357-L361 VanDerWaalsContact O-N 3.08Å; E358-L361 PolarHBondContact O-N 2.98Å; E358-L361 VanDerWaalsContact O-N 3.15Å; I359-L361 VanDerWaalsContact C-N 3.3Å; I359-L361 PolarHBondContact O-N 3.44Å
362H97.9Very high96.4Very high59 Ų5950.8 Ų50.827%0.27327%0.273SS..Hα-helixtrans-78.7-36.3-178.6-68.677.6000112.6E358 I359 T360 I376 F380 K383E358-H362 PolarHBondContact O-N 2.62Å; E358-H362 VanDerWaalsContact O-N 3.11Å; E358-H362 PolarHBondContact O-ND1 3.14Å; I359-H362 PolarHBondContact O-N 2.68Å; I359-H362 VanDerWaalsContact O-N 3.11Å; T360-H362 VanDerWaalsContact C-N 3.33Å; T360-H362 PolarHBondContact O-N 2.67Å; H362-I376 HydrophobicContact CB-CG2 4.1Å; H362-I376 VanDerWaalsContact O-CG2 3.29Å; H362-I376 WeakPolarHBondContact O-CG2 3.36Å; H362-F380 AromaticContact CE1-CD2 3.59Å; H362-F380 AromaticContact CG-CD2 3.85Å; H362-F380 AromaticContact ND1-CD2 3.55Å; H362-F380 AromaticContact ND1-CE2 3.99Å; H362-F380 AromaticContact NE2-CD2 3.93Å; H362-K383 PolarHBondContact NE2-NZ 3.48Å
363L98.2Very high96.6Very high1 Ų150.6 Ų50.61%0.00527%0.272CS..Hα-helixtrans-91.4-9.3-179.7-72.2179000114F335 I359 T360 G365 A366 W373 I376 L377 L404F335-L363 WeakPolarHBondContact CB-O 3.28Å; F335-L363 HydrophobicContact CD1-CB 3.53Å; F335-L363 WeakPolarHBondContact CD1-O 3.39Å; F335-L363 HydrophobicContact CD2-CB 4.03Å; F335-L363 HydrophobicContact CD2-CD1 4.03Å; F335-L363 HydrophobicContact CE1-CB 3.62Å; F335-L363 HydrophobicContact CE2-CB 4.07Å; F335-L363 HydrophobicContact CE2-CD1 3.65Å; F335-L363 HydrophobicContact CG-CB 3.77Å; F335-L363 HydrophobicContact CZ-CB 3.88Å; F335-L363 HydrophobicContact CZ-CD1 3.95Å; I359-L363 HydrophobicContact CG2-CD1 3.78Å; I359-L363 HydrophobicContact CG2-CG 4.35Å; I359-L363 PolarHBondContact O-N 2.98Å; T360-L363 PolarHBondContact O-N 3Å; L363-G365 PolarHBondContact O-N 3.13Å; L363-A366 HydrophobicContact CD2-CB 4.43Å; L363-A366 WeakPolarHBondContact O-CB 3.49Å; L363-A366 PolarHBondContact O-N 3.33Å; L363-W373 HydrophobicContact CD1-CE3 4.37Å; L363-W373 HydrophobicContact CD2-CB 3.87Å; L363-W373 HydrophobicContact CD2-CD2 4.38Å; L363-W373 HydrophobicContact CD2-CG 3.93Å; L363-I376 HydrophobicContact CD2-CB 4.03Å; L363-I376 HydrophobicContact CD2-CD1 4.19Å; L363-I376 HydrophobicContact CD2-CG2 3.8Å; L363-I376 HydrophobicContact CG-CG2 4.49Å; L363-L377 HydrophobicContact CD1-CD2 4.07Å; L363-L377 HydrophobicContact CD2-CD2 4.48Å; L363-L377 HydrophobicContact CD2-CG 4.43Å; L363-L377 HydrophobicContact CG-CD2 4.43Å; L363-L404 HydrophobicContact CD1-CD1 4.4Å; L363-L404 HydrophobicContact CD1-CD2 4.45Å
364H98.1Very high96.8Very high123 Ų12350.9 Ų50.957%0.56927%0.273SS*.THydrogen-bonded Turntrans-54.5124.7-178.2-169.877.4000111.6Q336 T360 A366Q336-H364 PolarHBondContact O-ND1 3.34Å; T360-H364 WeakPolarHBondContact O-CA 3.33Å; T360-H364 VanDerWaalsContact O-CB 3.26Å; T360-H364 WeakPolarHBondContact O-CB 3.48Å; T360-H364 PolarHBondContact O-N 3.34Å; H364-A366 VanDerWaalsContact C-N 3.3Å
365G96.7Very high96.9Very high42 Ų4252.6 Ų52.643%0.43328%0.276SS..THydrogen-bonded Turntrans85.1-5-178.300000114.9F335 L363F335-G365 PolarHBondContact O-N 3.35Å; L363-G365 PolarHBondContact O-N 3.13Å
366A96.9Very high97Very high15 Ų1554.7 Ų54.712%0.12429%0.287CS..  trans-66.9134.4175.300000111F335 L363 H364 I376F335-A366 HydrophobicContact CB-CB 4.41Å; F335-A366 PolarHBondContact N-O 2.93Å; L363-A366 HydrophobicContact CD2-CB 4.43Å; L363-A366 WeakPolarHBondContact O-CB 3.49Å; L363-A366 PolarHBondContact O-N 3.33Å; H364-A366 VanDerWaalsContact C-N 3.3Å; A366-I376 HydrophobicContact CB-CD1 4.03Å
367E95.3Very high97Very high63 Ų6354.7 Ų54.729%0.29429%0.287SS..BIsolated β-bridgetrans-75.4150178.8-59.3-170.9179.900111.6W294 G333 I334 R369 S372 W373W294-E367 HydrophobicContact CH2-CB 4.22Å; W294-E367 HydrophobicContact CH2-CG 4.03Å; W294-E367 HydrophobicContact CZ2-CB 3.93Å; W294-E367 HydrophobicContact CZ2-CG 4.21Å; W294-E367 HydrophobicContact CZ3-CG 4.4Å; G333-E367 CarbonylContact O-C 3.52Å; I334-E367 HydrophobicContact CD1-CB 4.28Å; I334-E367 HydrophobicContact CD1-CG 3.65Å; E367-R369 VanDerWaalsContact C-N 3.27Å; E367-R369 HydrophobicContact CB-CG 4.18Å; E367-R369 PolarHBondContact O-N 3.47Å; E367-R369 IonicContact OE1-NH2 2.69Å; E367-R369 IonicContact OE2-CZ 3.67Å; E367-R369 IonicContact OE2-NE 3.46Å; E367-R369 PolarHBondContact OE2-NE 2.89Å; E367-R369 IonicContact OE2-NH2 3.51Å; E367-R369 PolarHBondContact OE2-NH2 3.5Å; E367-S372 PolarHBondContact O-OG 3.43Å; E367-W373 PolarHBondContact O-NE1 2.66Å
368C95.5Very high97Very high1 Ų155.4 Ų55.41%0.00729%0.286CS..  trans-77.276.9169.9-67.80000109.8W89 F329 G333 F411W89-C368 HydrophobicContact CH2-CB 4Å; W89-C368 HydrophobicContact CZ2-CB 3.56Å; W89-C368 WeakPolarHBondContact CZ2-O 3.23Å; F329-C368 WeakPolarHBondContact CD1-SG 3.49Å; F329-C368 VanDerWaalsContact CE1-SG 3.53Å; G333-C368 VanDerWaalsContact C-SG 3.59Å; G333-C368 WeakPolarHBondContact O-CB 3.4Å; G333-C368 PolarHBondContact O-N 2.89Å; G333-C368 PolarHBondContact O-SG 3.35Å; G333-C368 VanDerWaalsContact O-SG 3.39Å; C368-F411 HydrophobicContact CB-CB 4.42Å; C368-F411 HydrophobicContact CB-CD1 3.8Å; C368-F411 HydrophobicContact CB-CD2 3.8Å; C368-F411 HydrophobicContact CB-CE1 3.89Å; C368-F411 HydrophobicContact CB-CE2 3.91Å; C368-F411 HydrophobicContact CB-CG 3.75Å; C368-F411 HydrophobicContact CB-CZ 3.95Å; C368-F411 WeakPolarHBondContact SG-CZ 3.47Å
369R93.1Very high97Very high116 Ų11658.1 Ų58.144%0.43830%0.298SS..  trans-120.4152.1171-62.5-175.2-174.2-177.110110.7E367 H371 S372E367-R369 VanDerWaalsContact C-N 3.27Å; E367-R369 HydrophobicContact CB-CG 4.18Å; E367-R369 PolarHBondContact O-N 3.47Å; E367-R369 IonicContact OE1-NH2 2.69Å; E367-R369 IonicContact OE2-CZ 3.67Å; E367-R369 IonicContact OE2-NE 3.46Å; E367-R369 PolarHBondContact OE2-NE 2.89Å; E367-R369 IonicContact OE2-NH2 3.51Å; E367-R369 PolarHBondContact OE2-NH2 3.5Å; R369-H371 PolarHBondContact O-N 3.26Å; R369-S372 PolarHBondContact N-OG 3.32Å; R369-S372 WeakPolarHBondContact O-CB 3.3Å; R369-S372 PolarHBondContact O-N 3.45Å; R369-S372 PolarHBondContact O-OG 3.46Å
370T93.8Very high96.9Very high78 Ų7858.2 Ų58.248%0.47930%0.299SS..THydrogen-bonded Turntrans-48.4122.1176.1-34.60000110.9S372 S408 F411T370-S372 PolarHBondContact O-N 2.88Å; T370-S408 VanDerWaalsContact CA-O 3.3Å; T370-S408 WeakPolarHBondContact CA-O 3.49Å; T370-F411 WeakPolarHBondContact CA-OXT 3.24Å; T370-F411 WeakPolarHBondContact CB-OXT 3.26Å; T370-F411 WeakPolarHBondContact CG2-OXT 3.2Å; T370-F411 PolarHBondContact N-OXT 3.27Å; T370-F411 VanDerWaalsContact N-OXT 3.09Å; T370-F411 PolarHBondContact OG1-OXT 3.45Å
371H96Very high96.8Very high104 Ų10458.1 Ų58.148%0.48130%0.298SS..THydrogen-bonded Turntrans60.78.2177-60.3-68.5000116.4R369 W373 D374 S408 S409R369-H371 PolarHBondContact O-N 3.26Å; H371-W373 PolarHBondContact O-N 2.91Å; H371-W373 VanDerWaalsContact O-N 3.14Å; H371-D374 WeakPolarHBondContact CB-OD2 3.44Å; H371-D374 IonicContact CE1-OD2 3.85Å; H371-D374 IonicContact CG-OD2 3.02Å; H371-D374 IonicContact ND1-OD2 2.62Å; H371-D374 PolarHBondContact ND1-OD2 3.1Å; H371-D374 PolarHBondContact O-N 2.67Å; H371-S408 PolarHBondContact N-O 2.77Å; H371-S409 VanDerWaalsContact CE1-CB 3.47Å; H371-S409 WeakPolarHBondContact CE1-CB 3.4Å
372S95.4Very high96.7Very high40 Ų4057.9 Ų57.928%0.2829%0.291SS..THydrogen-bonded Turntrans-66.8-17.8-176.156.40000114.2E367 R369 T370 S408E367-S372 PolarHBondContact O-OG 3.43Å; R369-S372 PolarHBondContact N-OG 3.32Å; R369-S372 WeakPolarHBondContact O-CB 3.3Å; R369-S372 PolarHBondContact O-N 3.45Å; R369-S372 PolarHBondContact O-OG 3.46Å; T370-S372 PolarHBondContact O-N 2.88Å; S372-S408 PolarHBondContact N-OG 2.99Å
373W97.9Very high96.6Very high0 Ų059.9 Ų59.90%030%0.299CS..THydrogen-bonded Turntrans-93.7-16.1-179.7-54.6-7.8000112.6F329 F335 L363 E367 H371 F375 I376 L377 L404 I407 S408 F411F329-W373 AromaticContact CE1-CH2 3.55Å; F329-W373 HydrophobicContact CE1-CH2 3.55Å; F329-W373 AromaticContact CE1-CZ2 3.71Å; F329-W373 HydrophobicContact CE1-CZ2 3.71Å; F329-W373 AromaticContact CZ-CH2 3.81Å; F329-W373 HydrophobicContact CZ-CH2 3.81Å; F329-W373 HydrophobicContact CZ-CZ2 4.41Å; F335-W373 HydrophobicContact CB-CZ2 4.34Å; F335-W373 AromaticContact CD2-CH2 3.83Å; F335-W373 HydrophobicContact CD2-CH2 3.83Å; F335-W373 AromaticContact CD2-CZ2 3.96Å; F335-W373 HydrophobicContact CD2-CZ2 3.96Å; F335-W373 HydrophobicContact CD2-CZ3 4.37Å; F335-W373 HydrophobicContact CE2-CH2 4.48Å; L363-W373 HydrophobicContact CD1-CE3 4.37Å; L363-W373 HydrophobicContact CD2-CB 3.87Å; L363-W373 HydrophobicContact CD2-CD2 4.38Å; L363-W373 HydrophobicContact CD2-CG 3.93Å; E367-W373 PolarHBondContact O-NE1 2.66Å; H371-W373 PolarHBondContact O-N 2.91Å; H371-W373 VanDerWaalsContact O-N 3.14Å; W373-F375 PolarHBondContact O-N 2.96Å; W373-I376 PolarHBondContact O-N 3.28Å; W373-I376 VanDerWaalsContact O-N 3.1Å; W373-L377 HydrophobicContact CB-CD1 3.96Å; W373-L377 HydrophobicContact CB-CG 4.36Å; W373-L377 WeakPolarHBondContact O-CB 3.36Å; W373-L377 VanDerWaalsContact O-CG 3.29Å; W373-L377 WeakPolarHBondContact O-CG 3.49Å; W373-L377 PolarHBondContact O-N 3.27Å; W373-L404 HydrophobicContact CE3-CD2 4.43Å; W373-L404 HydrophobicContact CZ3-CD2 3.97Å; W373-I407 HydrophobicContact CH2-CG2 4.04Å; W373-I407 HydrophobicContact CZ3-CB 4.43Å; W373-I407 HydrophobicContact CZ3-CG2 3.88Å; W373-S408 WeakPolarHBondContact CB-OG 3.42Å; W373-S408 PolarHBondContact N-OG 2.95Å; W373-F411 HydrophobicContact CH2-CD2 4.3Å; W373-F411 AromaticContact CH2-CE2 3.5Å; W373-F411 HydrophobicContact CH2-CE2 3.5Å; W373-F411 VanDerWaalsContact CH2-CE2 3.5Å; W373-F411 HydrophobicContact CH2-CZ 4.4Å; W373-F411 HydrophobicContact CZ2-CD2 4.08Å; W373-F411 AromaticContact CZ2-CE2 3.54Å; W373-F411 HydrophobicContact CZ2-CE2 3.54Å; W373-F411 HydrophobicContact CZ3-CE2 4.29Å
374D97.7Very high96.4Very high38 Ų3860.9 Ų60.920%0.20330%0.303CS..Hα-helixtrans-58-47.9-169.4-70.8-6000111.3H371 I376 L377 D378H371-D374 WeakPolarHBondContact CB-OD2 3.44Å; H371-D374 IonicContact CE1-OD2 3.85Å; H371-D374 IonicContact CG-OD2 3.02Å; H371-D374 IonicContact ND1-OD2 2.62Å; H371-D374 PolarHBondContact ND1-OD2 3.1Å; H371-D374 PolarHBondContact O-N 2.67Å; D374-I376 PolarHBondContact O-N 2.91Å; D374-L377 PolarHBondContact O-N 3.29Å; D374-D378 WeakPolarHBondContact O-CB 3.43Å; D374-D378 VanDerWaalsContact O-CG 3.24Å; D374-D378 PolarHBondContact O-N 3.26Å
375F97.8Very high96.2Very high140 Ų14059.4 Ų59.461%0.61430%0.296SS*.Hα-helixtrans-63.4-41.6177.6-179.4-101.9000113.1W373 L377 D378 Q379W373-F375 PolarHBondContact O-N 2.96Å; F375-L377 VanDerWaalsContact C-N 3.33Å; F375-D378 PolarHBondContact O-N 2.87Å; F375-Q379 VanDerWaalsContact CE1-CD 3.43Å; F375-Q379 HydrophobicContact CE1-CG 4.19Å; F375-Q379 HydrophobicContact CE2-CG 4.5Å; F375-Q379 HydrophobicContact CZ-CG 4.18Å; F375-Q379 WeakPolarHBondContact O-CG 3.33Å; F375-Q379 PolarHBondContact O-N 2.91Å
376I98.1Very high96.1Very high45 Ų4562 Ų6223%0.23130%0.299CS..Hα-helixtrans-64.6-43.4179.3-57.7172.9000109.7H362 L363 A366 W373 D374 Q379 F380H362-I376 HydrophobicContact CB-CG2 4.1Å; H362-I376 VanDerWaalsContact O-CG2 3.29Å; H362-I376 WeakPolarHBondContact O-CG2 3.36Å; L363-I376 HydrophobicContact CD2-CB 4.03Å; L363-I376 HydrophobicContact CD2-CD1 4.19Å; L363-I376 HydrophobicContact CD2-CG2 3.8Å; L363-I376 HydrophobicContact CG-CG2 4.49Å; A366-I376 HydrophobicContact CB-CD1 4.03Å; W373-I376 PolarHBondContact O-N 3.28Å; W373-I376 VanDerWaalsContact O-N 3.1Å; D374-I376 PolarHBondContact O-N 2.91Å; I376-Q379 PolarHBondContact O-N 3.4Å; I376-F380 WeakPolarHBondContact O-CB 3.35Å; I376-F380 PolarHBondContact O-N 3.14Å
377L98.3Very high95.8Very high2 Ų266 Ų661%0.0132%0.315CS..Hα-helixtrans-67.2-40178.1-69.4171000111.6L363 W373 D374 F375 F380 V381 I401 L404 K405L363-L377 HydrophobicContact CD1-CD2 4.07Å; L363-L377 HydrophobicContact CD2-CD2 4.48Å; L363-L377 HydrophobicContact CD2-CG 4.43Å; L363-L377 HydrophobicContact CG-CD2 4.43Å; W373-L377 HydrophobicContact CB-CD1 3.96Å; W373-L377 HydrophobicContact CB-CG 4.36Å; W373-L377 WeakPolarHBondContact O-CB 3.36Å; W373-L377 VanDerWaalsContact O-CG 3.29Å; W373-L377 WeakPolarHBondContact O-CG 3.49Å; W373-L377 PolarHBondContact O-N 3.27Å; D374-L377 PolarHBondContact O-N 3.29Å; F375-L377 VanDerWaalsContact C-N 3.33Å; L377-F380 WeakPolarHBondContact O-CB 3.49Å; L377-F380 PolarHBondContact O-N 3.3Å; L377-V381 WeakPolarHBondContact O-CB 3.43Å; L377-V381 VanDerWaalsContact O-CG2 3.23Å; L377-V381 WeakPolarHBondContact O-CG2 3.4Å; L377-V381 PolarHBondContact O-N 3.28Å; L377-I401 HydrophobicContact CD2-CD1 3.91Å; L377-L404 HydrophobicContact CD1-CB 3.83Å; L377-L404 HydrophobicContact CD2-CB 4.48Å; L377-L404 HydrophobicContact CD2-CD1 4.1Å; L377-K405 HydrophobicContact CD1-CG 3.65Å
378D97.7Very high95.7Very high82 Ų8265.8 Ų65.844%0.43932%0.315SS..Hα-helixtrans-62.3-42.8175.5-74.3-26.8000112D374 F375 V381 F382 K405D374-D378 WeakPolarHBondContact O-CB 3.43Å; D374-D378 VanDerWaalsContact O-CG 3.24Å; D374-D378 PolarHBondContact O-N 3.26Å; F375-D378 PolarHBondContact O-N 2.87Å; D378-V381 PolarHBondContact O-N 3.02Å; D378-F382 WeakPolarHBondContact O-CB 3.08Å; D378-F382 PolarHBondContact O-N 3.5Å; D378-K405 IonicContact OD1-NZ 2.67Å; D378-K405 PolarHBondContact OD1-NZ 3.31Å; D378-K405 IonicContact OD2-NZ 2.66Å
379Q97.3Very high95.5Very high108 Ų10873.1 Ų73.151%0.50536%0.355SS..Hα-helixtrans-63.3-41.9173.9-73.2-170.6-25.700112.2F375 I376 F382 K383F375-Q379 VanDerWaalsContact CE1-CD 3.43Å; F375-Q379 HydrophobicContact CE1-CG 4.19Å; F375-Q379 HydrophobicContact CE2-CG 4.5Å; F375-Q379 HydrophobicContact CZ-CG 4.18Å; F375-Q379 WeakPolarHBondContact O-CG 3.33Å; F375-Q379 PolarHBondContact O-N 2.91Å; I376-Q379 PolarHBondContact O-N 3.4Å; Q379-F382 PolarHBondContact O-N 2.85Å; Q379-K383 WeakPolarHBondContact O-CB 3.38Å; Q379-K383 PolarHBondContact O-N 3.46Å
380F97.5Very high95.1Very high2 Ų269.3 Ų69.31%0.00935%0.351CS..Hα-helixtrans-61.1-48.1176.5172.2-104.6000111.7F355 E358 I359 H362 I376 L377 F382 K383 K384 I401F355-F380 HydrophobicContact CD2-CE1 4.25Å; F355-F380 AromaticContact CD2-CZ 3.92Å; F355-F380 HydrophobicContact CD2-CZ 3.92Å; F355-F380 AromaticContact CE2-CE1 3.45Å; F355-F380 HydrophobicContact CE2-CE1 3.45Å; F355-F380 VanDerWaalsContact CE2-CE1 3.45Å; F355-F380 AromaticContact CE2-CZ 3.57Å; F355-F380 HydrophobicContact CE2-CZ 3.57Å; F355-F380 AromaticContact CZ-CE1 3.64Å; F355-F380 HydrophobicContact CZ-CE1 3.64Å; F355-F380 HydrophobicContact CZ-CZ 4.14Å; E358-F380 HydrophobicContact CB-CE2 3.79Å; E358-F380 HydrophobicContact CB-CZ 4.24Å; I359-F380 HydrophobicContact CD1-CE1 4.12Å; I359-F380 HydrophobicContact CG1-CD1 4.17Å; I359-F380 HydrophobicContact CG1-CE1 3.55Å; I359-F380 HydrophobicContact CG1-CE2 4.41Å; I359-F380 HydrophobicContact CG1-CZ 3.68Å; H362-F380 AromaticContact CE1-CD2 3.59Å; H362-F380 AromaticContact CG-CD2 3.85Å; H362-F380 AromaticContact ND1-CD2 3.55Å; H362-F380 AromaticContact ND1-CE2 3.99Å; H362-F380 AromaticContact NE2-CD2 3.93Å; I376-F380 WeakPolarHBondContact O-CB 3.35Å; I376-F380 PolarHBondContact O-N 3.14Å; L377-F380 WeakPolarHBondContact O-CB 3.49Å; L377-F380 PolarHBondContact O-N 3.3Å; F380-F382 PolarHBondContact O-N 3.02Å; F380-K383 PolarHBondContact O-N 2.93Å; F380-K384 HydrophobicContact CD2-CG 4.47Å; F380-K384 HydrophobicContact CE1-CG 4.06Å; F380-K384 HydrophobicContact CE2-CG 3.95Å; F380-K384 HydrophobicContact CZ-CD 4.33Å; F380-K384 HydrophobicContact CZ-CG 3.75Å; F380-K384 PolarHBondContact O-N 2.92Å; F380-I401 HydrophobicContact CD1-CD1 3.77Å; F380-I401 HydrophobicContact CE1-CD1 3.88Å
381V96.8Very high94.8Very high23 Ų2372.3 Ų72.314%0.13936%0.36CS..Hα-helixtrans-59.5-45.2177.3169.60000111.2L377 D378 K383 K384 F385 M393 W398 I401L377-V381 WeakPolarHBondContact O-CB 3.43Å; L377-V381 VanDerWaalsContact O-CG2 3.23Å; L377-V381 WeakPolarHBondContact O-CG2 3.4Å; L377-V381 PolarHBondContact O-N 3.28Å; D378-V381 PolarHBondContact O-N 3.02Å; V381-K383 PolarHBondContact O-N 3.14Å; V381-K384 WeakPolarHBondContact O-CB 3.41Å; V381-K384 PolarHBondContact O-N 3.41Å; V381-F385 PolarHBondContact O-N 3.38Å; V381-M393 HydrophobicContact CB-CE 4.45Å; V381-M393 HydrophobicContact CG1-CE 4.03Å; V381-M393 HydrophobicContact CG2-CE 3.9Å; V381-W398 HydrophobicContact CG1-CH2 3.52Å; V381-W398 HydrophobicContact CG1-CZ2 4.19Å; V381-W398 HydrophobicContact CG1-CZ3 4.09Å; V381-W398 HydrophobicContact CG2-CZ3 4.42Å; V381-I401 HydrophobicContact CG2-CD1 4.26Å; V381-I401 HydrophobicContact CG2-CG1 4.14Å; V381-I401 HydrophobicContact CG2-CG2 3.94Å
382F95.3Very high94.5Very high134 Ų13473.1 Ų73.159%0.58837%0.368SS*.Hα-helixtrans-63.3-42.7178-178.5-106.2000112.2D378 Q379 F380 K384 F385 I386D378-F382 WeakPolarHBondContact O-CB 3.08Å; D378-F382 PolarHBondContact O-N 3.5Å; Q379-F382 PolarHBondContact O-N 2.85Å; F380-F382 PolarHBondContact O-N 3.02Å; F382-K384 VanDerWaalsContact C-N 3.32Å; F382-K384 PolarHBondContact O-N 3.33Å; F382-F385 PolarHBondContact O-N 2.57Å; F382-I386 HydrophobicContact CD1-CD1 3.94Å; F382-I386 HydrophobicContact CE1-CD1 3.41Å; F382-I386 VanDerWaalsContact CE1-CD1 3.41Å; F382-I386 HydrophobicContact CE1-CG1 4.44Å; F382-I386 HydrophobicContact CE2-CD1 4.46Å; F382-I386 HydrophobicContact CZ-CD1 3.71Å; F382-I386 HydrophobicContact CZ-CG1 4.43Å; F382-I386 PolarHBondContact O-N 3.44Å; F382-I386 VanDerWaalsContact O-N 3.13Å
383K95Very high94.4Very high100 Ų10071.7 Ų71.744%0.43536%0.357SS..Hα-helixtrans-62.3-40.6175.1-176.7178.4173.1-173.90111.5H362 Q379 F380 V381 I386 Q387H362-K383 PolarHBondContact NE2-NZ 3.48Å; Q379-K383 WeakPolarHBondContact O-CB 3.38Å; Q379-K383 PolarHBondContact O-N 3.46Å; F380-K383 PolarHBondContact O-N 2.93Å; V381-K383 PolarHBondContact O-N 3.14Å; K383-I386 PolarHBondContact O-N 3.45Å; K383-Q387 WeakPolarHBondContact O-CG 3.45Å; K383-Q387 PolarHBondContact O-N 3.45Å
384K94.4Very high94.1Very high22 Ų2273.8 Ų73.810%0.09637%0.372CS..Hα-helixtrans-62.1-45.5174.8-83.2-67.6-177.1-166.40112.4F355 E358 F380 V381 F382 I386 Q387 L388 M393F355-K384 HydrophobicContact CE2-CG 4.47Å; E358-K384 IonicContact OE1-NZ 2.68Å; E358-K384 PolarHBondContact OE1-NZ 2.83Å; E358-K384 WeakPolarHBondContact OE2-CE 3.38Å; E358-K384 IonicContact OE2-NZ 2.67Å; E358-K384 PolarHBondContact OE2-NZ 2.84Å; F380-K384 HydrophobicContact CD2-CG 4.47Å; F380-K384 HydrophobicContact CE1-CG 4.06Å; F380-K384 HydrophobicContact CE2-CG 3.95Å; F380-K384 HydrophobicContact CZ-CD 4.33Å; F380-K384 HydrophobicContact CZ-CG 3.75Å; F380-K384 PolarHBondContact O-N 2.92Å; V381-K384 WeakPolarHBondContact O-CB 3.41Å; V381-K384 PolarHBondContact O-N 3.41Å; F382-K384 VanDerWaalsContact C-N 3.32Å; F382-K384 PolarHBondContact O-N 3.33Å; K384-I386 VanDerWaalsContact C-N 3.29Å; K384-I386 PolarHBondContact O-N 3.44Å; K384-Q387 PolarHBondContact O-N 3.42Å; K384-Q387 VanDerWaalsContact O-N 3.14Å; K384-L388 WeakPolarHBondContact O-CB 3.21Å; K384-L388 VanDerWaalsContact O-CG 3.28Å; K384-L388 WeakPolarHBondContact O-CG 3.08Å; K384-L388 PolarHBondContact O-N 2.99Å; K384-M393 HydrophobicContact CB-CG 4.23Å; K384-M393 HydrophobicContact CB-SD 4.02Å; K384-M393 HydrophobicContact CG-SD 4.25Å
385F93.8Very high93.9Very high93 Ų9378 Ų7841%0.40839%0.394SS..Hα-helixtrans-56.7-42.3175.8-178.7-100.6000112.3V381 F382 L388 N389 G390V381-F385 PolarHBondContact O-N 3.38Å; F382-F385 PolarHBondContact O-N 2.57Å; F385-L388 PolarHBondContact O-N 2.81Å; F385-N389 PolarHBondContact O-N 3.08Å; F385-G390 VanDerWaalsContact CE2-C 3.48Å; F385-G390 WeakPolarHBondContact CE2-O 3.03Å; F385-G390 VanDerWaalsContact CZ-CA 3.46Å; F385-G390 WeakPolarHBondContact O-CA 3.19Å; F385-G390 PolarHBondContact O-N 2.87Å
386I93.7Very high93.8Very high97 Ų9775.2 Ų75.250%0.49738%0.383SS..Hα-helixtrans-65.6-45.6175.1-66.2171000111.5F382 K383 K384 L388 N389F382-I386 HydrophobicContact CD1-CD1 3.94Å; F382-I386 HydrophobicContact CE1-CD1 3.41Å; F382-I386 VanDerWaalsContact CE1-CD1 3.41Å; F382-I386 HydrophobicContact CE1-CG1 4.44Å; F382-I386 HydrophobicContact CE2-CD1 4.46Å; F382-I386 HydrophobicContact CZ-CD1 3.71Å; F382-I386 HydrophobicContact CZ-CG1 4.43Å; F382-I386 PolarHBondContact O-N 3.44Å; F382-I386 VanDerWaalsContact O-N 3.13Å; K383-I386 PolarHBondContact O-N 3.45Å; K384-I386 VanDerWaalsContact C-N 3.29Å; K384-I386 PolarHBondContact O-N 3.44Å; I386-L388 PolarHBondContact O-N 3.05Å; I386-N389 PolarHBondContact O-N 3.24Å
387Q92.2Very high93.7Very high98 Ų9874.1 Ų74.146%0.45838%0.377SS..Hα-helixtrans-61.5-33.8179-74.5175.4-1700112.6K383 K384 N389K383-Q387 WeakPolarHBondContact O-CG 3.45Å; K383-Q387 PolarHBondContact O-N 3.45Å; K384-Q387 PolarHBondContact O-N 3.42Å; K384-Q387 VanDerWaalsContact O-N 3.14Å; Q387-N389 PolarHBondContact O-N 3.15Å
388L91.9Very high93.5Very high58 Ų5879.4 Ų79.430%0.30440%0.397SS..THydrogen-bonded Turntrans-82.913175.6-65.1174.4000112.7K384 F385 I386 G390 E391 M393K384-L388 WeakPolarHBondContact O-CB 3.21Å; K384-L388 VanDerWaalsContact O-CG 3.28Å; K384-L388 WeakPolarHBondContact O-CG 3.08Å; K384-L388 PolarHBondContact O-N 2.99Å; F385-L388 PolarHBondContact O-N 2.81Å; I386-L388 PolarHBondContact O-N 3.05Å; L388-G390 PolarHBondContact O-N 3.37Å; L388-G390 VanDerWaalsContact O-N 3.15Å; L388-E391 HydrophobicContact CB-CB 4.13Å; L388-E391 WeakPolarHBondContact CB-O 3.04Å; L388-E391 VanDerWaalsContact O-CB 3.32Å; L388-E391 WeakPolarHBondContact O-CB 3.15Å; L388-E391 WeakPolarHBondContact O-CG 3.38Å; L388-E391 PolarHBondContact O-N 3.44Å; L388-M393 HydrophobicContact CD1-CG 4.14Å
389N91.7Very high93.5Very high156 Ų15677.4 Ų77.483%0.83439%0.386SS*.THydrogen-bonded Turntrans53.232.7-178.4-63.1-45.4000114.2F385 I386 Q387F385-N389 PolarHBondContact O-N 3.08Å; I386-N389 PolarHBondContact O-N 3.24Å; Q387-N389 PolarHBondContact O-N 3.15Å
390G84.3Confident93.5Very high36 Ų3672.2 Ų72.237%0.37136%0.362SS..THydrogen-bonded Turntrans87.72.6-177.300000114.9F385 L388F385-G390 VanDerWaalsContact CE2-C 3.48Å; F385-G390 WeakPolarHBondContact CE2-O 3.03Å; F385-G390 VanDerWaalsContact CZ-CA 3.46Å; F385-G390 WeakPolarHBondContact O-CA 3.19Å; F385-G390 PolarHBondContact O-N 2.87Å; L388-G390 PolarHBondContact O-N 3.37Å; L388-G390 VanDerWaalsContact O-N 3.15Å
391E88.6Confident93.5Very high140 Ų14072.3 Ų72.365%0.65436%0.362SS*.PPolyproline II helixtrans-73.6150.4167.5-61.7-179.2172.700110.9L388L388-E391 HydrophobicContact CB-CB 4.13Å; L388-E391 WeakPolarHBondContact CB-O 3.04Å; L388-E391 VanDerWaalsContact O-CB 3.32Å; L388-E391 WeakPolarHBondContact O-CB 3.15Å; L388-E391 WeakPolarHBondContact O-CG 3.38Å; L388-E391 PolarHBondContact O-N 3.44Å
392N89Confident93.4Very high121 Ų12176.7 Ų76.765%0.64738%0.379SS*.PPolyproline II helixtrans-78.1148.4178.6-73.5-35.9000110.9
393M92.9Very high93.5Very high11 Ų1170.3 Ų70.35%0.05435%0.351CS..PPolyproline II helixtrans-57.3156.4164.1-65.9-174.6-54.900110.9F355 V381 K384 L388 Q397 W398 I401F355-M393 HydrophobicContact CE2-SD 3.76Å; F355-M393 HydrophobicContact CZ-SD 4.02Å; V381-M393 HydrophobicContact CB-CE 4.45Å; V381-M393 HydrophobicContact CG1-CE 4.03Å; V381-M393 HydrophobicContact CG2-CE 3.9Å; K384-M393 HydrophobicContact CB-CG 4.23Å; K384-M393 HydrophobicContact CB-SD 4.02Å; K384-M393 HydrophobicContact CG-SD 4.25Å; L388-M393 HydrophobicContact CD1-CG 4.14Å; M393-Q397 HydrophobicContact CB-CB 3.89Å; M393-Q397 VanDerWaalsContact CB-OE1 3.26Å; M393-Q397 HydrophobicContact SD-CB 4.49Å; M393-W398 HydrophobicContact CE-CD2 3.52Å; M393-W398 VanDerWaalsContact CE-CE2 3.47Å; M393-W398 HydrophobicContact CE-CE3 3.73Å; M393-W398 HydrophobicContact CE-CG 4.13Å; M393-W398 HydrophobicContact CE-CH2 3.89Å; M393-W398 HydrophobicContact CE-CZ2 3.67Å; M393-W398 HydrophobicContact CE-CZ3 3.91Å; M393-I401 HydrophobicContact CE-CG1 4.29Å
394S93.2Very high93.7Very high44 Ų4465.6 Ų65.631%0.30833%0.331SS..PPolyproline II helixtrans-63.2161.1175.188.90000111.7E396 Q397 W398S394-E396 VanDerWaalsContact CB-OE2 3.32Å; S394-E396 WeakPolarHBondContact CB-OE2 3.41Å; S394-E396 PolarHBondContact O-N 3.46Å; S394-E396 PolarHBondContact OG-N 2.92Å; S394-E396 PolarHBondContact OG-OE2 3.45Å; S394-Q397 WeakPolarHBondContact O-CB 3.41Å; S394-Q397 PolarHBondContact O-N 3.41Å; S394-Q397 WeakPolarHBondContact OG-CG 3.37Å; S394-Q397 PolarHBondContact OG-N 2.74Å; S394-W398 PolarHBondContact O-N 3.02Å
395D93.4Very high93.8Very high127 Ų12767.5 Ų67.568%0.67934%0.339SS*.Hα-helixtrans-59.4-38.7178.2-72.8-20.8000111.4W398 L399D395-W398 PolarHBondContact O-N 3.45Å; D395-L399 VanDerWaalsContact O-CG 3.31Å; D395-L399 WeakPolarHBondContact O-CG 3.49Å; D395-L399 PolarHBondContact O-N 3.45Å
396E94.1Very high93.9Very high81 Ų8169.3 Ų69.338%0.37934%0.343SS..Hα-helixtrans-63.9-43.6176.6-58.578.4-169.100111.8L318 L352 S394 W398 L399 I400L318-E396 HydrophobicContact CD1-CG 4.26Å; L318-E396 HydrophobicContact CD2-CB 4.23Å; L318-E396 HydrophobicContact CD2-CG 4.42Å; L352-E396 HydrophobicContact CD1-CB 4.43Å; L352-E396 HydrophobicContact CD2-CB 4.18Å; S394-E396 VanDerWaalsContact CB-OE2 3.32Å; S394-E396 WeakPolarHBondContact CB-OE2 3.41Å; S394-E396 PolarHBondContact O-N 3.46Å; S394-E396 PolarHBondContact OG-N 2.92Å; S394-E396 PolarHBondContact OG-OE2 3.45Å; E396-W398 VanDerWaalsContact C-N 3.31Å; E396-W398 PolarHBondContact O-N 3.35Å; E396-L399 PolarHBondContact O-N 2.97Å; E396-I400 WeakPolarHBondContact O-CG1 3.43Å; E396-I400 PolarHBondContact O-N 3.27Å
397Q95.8Very high94Very high21 Ų2164.7 Ų64.710%0.09832%0.32CS..Hα-helixtrans-60.9-42175.9-71.6177.3-2100111L352 F355 M393 S394 I400 I401L352-Q397 HydrophobicContact CD2-CG 3.84Å; F355-Q397 HydrophobicContact CD1-CB 4.31Å; F355-Q397 HydrophobicContact CD1-CG 3.84Å; F355-Q397 HydrophobicContact CD2-CB 4.4Å; F355-Q397 HydrophobicContact CD2-CG 3.84Å; F355-Q397 HydrophobicContact CE1-CB 3.79Å; F355-Q397 HydrophobicContact CE1-CG 3.85Å; F355-Q397 HydrophobicContact CE2-CB 3.92Å; F355-Q397 HydrophobicContact CE2-CG 3.87Å; F355-Q397 HydrophobicContact CG-CG 3.82Å; F355-Q397 HydrophobicContact CZ-CB 3.58Å; F355-Q397 HydrophobicContact CZ-CG 3.88Å; M393-Q397 HydrophobicContact CB-CB 3.89Å; M393-Q397 VanDerWaalsContact CB-OE1 3.26Å; M393-Q397 HydrophobicContact SD-CB 4.49Å; S394-Q397 WeakPolarHBondContact O-CB 3.41Å; S394-Q397 PolarHBondContact O-N 3.41Å; S394-Q397 WeakPolarHBondContact OG-CG 3.37Å; S394-Q397 PolarHBondContact OG-N 2.74Å; Q397-I400 PolarHBondContact O-N 3.31Å; Q397-I401 WeakPolarHBondContact O-CG1 3.46Å; Q397-I401 PolarHBondContact O-N 2.75Å; Q397-I401 VanDerWaalsContact O-N 3.1Å
398W95.7Very high94.3Very high113 Ų11360 Ų6043%0.42830%0.298SS..Hα-helixtrans-64.3-42.2174.7-86.1115.9000113.3V381 M393 S394 D395 E396 I400 I401 K402V381-W398 HydrophobicContact CG1-CH2 3.52Å; V381-W398 HydrophobicContact CG1-CZ2 4.19Å; V381-W398 HydrophobicContact CG1-CZ3 4.09Å; V381-W398 HydrophobicContact CG2-CZ3 4.42Å; M393-W398 HydrophobicContact CE-CD2 3.52Å; M393-W398 VanDerWaalsContact CE-CE2 3.47Å; M393-W398 HydrophobicContact CE-CE3 3.73Å; M393-W398 HydrophobicContact CE-CG 4.13Å; M393-W398 HydrophobicContact CE-CH2 3.89Å; M393-W398 HydrophobicContact CE-CZ2 3.67Å; M393-W398 HydrophobicContact CE-CZ3 3.91Å; S394-W398 PolarHBondContact O-N 3.02Å; D395-W398 PolarHBondContact O-N 3.45Å; E396-W398 VanDerWaalsContact C-N 3.31Å; E396-W398 PolarHBondContact O-N 3.35Å; W398-I400 VanDerWaalsContact C-N 3.3Å; W398-I400 PolarHBondContact O-N 2.92Å; W398-I401 PolarHBondContact O-N 3.44Å; W398-K402 WeakPolarHBondContact O-CB 3.32Å; W398-K402 PolarHBondContact O-N 2.94Å
399L96.6Very high94.4Very high40 Ų4059.3 Ų59.321%0.20930%0.298CS..Hα-helixtrans-61.3-39.8175.6-72.5172.7000111.5E312 N314 L315 D395 E396 K402 A403E312-L399 HydrophobicContact CG-CB 4.24Å; E312-L399 HydrophobicContact CG-CD2 3.9Å; N314-L399 HydrophobicContact CB-CD1 3.97Å; N314-L399 HydrophobicContact CB-CD2 4.02Å; L315-L399 HydrophobicContact CD2-CB 3.61Å; L315-L399 HydrophobicContact CD2-CD1 4.3Å; L315-L399 HydrophobicContact CG-CB 4.12Å; D395-L399 VanDerWaalsContact O-CG 3.31Å; D395-L399 WeakPolarHBondContact O-CG 3.49Å; D395-L399 PolarHBondContact O-N 3.45Å; E396-L399 PolarHBondContact O-N 2.97Å; L399-K402 PolarHBondContact O-N 3.12Å; L399-A403 VanDerWaalsContact O-CB 3.3Å; L399-A403 WeakPolarHBondContact O-CB 3.4Å; L399-A403 PolarHBondContact O-N 3.2Å
400I97.2Very high94.6Very high0 Ų054.1 Ų54.10%027%0.269CS..Hα-helixtrans-61.1-48.4174.8-69.5162.6000111L308 L315 I325 I338 L352 F355 L356 I359 E396 Q397 W398 K402 A403 L404L308-I400 HydrophobicContact CD2-CB 4.25Å; L308-I400 HydrophobicContact CD2-CG1 4.05Å; L308-I400 HydrophobicContact CD2-CG2 4.03Å; L315-I400 HydrophobicContact CD2-CG1 4.12Å; I325-I400 HydrophobicContact CD1-CD1 4.09Å; I325-I400 HydrophobicContact CD1-CG1 4.07Å; I338-I400 HydrophobicContact CD1-CG2 4.47Å; L352-I400 HydrophobicContact CD2-CD1 4.47Å; F355-I400 HydrophobicContact CD1-CD1 4.28Å; F355-I400 HydrophobicContact CE1-CB 4.24Å; F355-I400 HydrophobicContact CE1-CD1 4.31Å; F355-I400 HydrophobicContact CE1-CG2 4.12Å; L356-I400 HydrophobicContact CD2-CD1 4.05Å; L356-I400 HydrophobicContact CD2-CG2 4.05Å; I359-I400 HydrophobicContact CD1-CG2 3.8Å; E396-I400 WeakPolarHBondContact O-CG1 3.43Å; E396-I400 PolarHBondContact O-N 3.27Å; Q397-I400 PolarHBondContact O-N 3.31Å; W398-I400 VanDerWaalsContact C-N 3.3Å; W398-I400 PolarHBondContact O-N 2.92Å; I400-K402 PolarHBondContact O-N 3.45Å; I400-A403 PolarHBondContact O-N 3.11Å; I400-L404 HydrophobicContact CG2-CD1 4.01Å; I400-L404 WeakPolarHBondContact O-CG 3.38Å; I400-L404 PolarHBondContact O-N 3.28Å
401I97.5Very high95.1Very high3 Ų352.9 Ų52.92%0.01525%0.254CS..Hα-helixtrans-60.9-44.6178.3-65.4-64000111.4F355 I359 L377 F380 V381 M393 Q397 W398 A403 L404 K405F355-I401 HydrophobicContact CZ-CD1 4.15Å; F355-I401 HydrophobicContact CZ-CG1 4.06Å; I359-I401 HydrophobicContact CD1-CD1 3.96Å; I359-I401 HydrophobicContact CG1-CD1 4.5Å; L377-I401 HydrophobicContact CD2-CD1 3.91Å; F380-I401 HydrophobicContact CD1-CD1 3.77Å; F380-I401 HydrophobicContact CE1-CD1 3.88Å; V381-I401 HydrophobicContact CG2-CD1 4.26Å; V381-I401 HydrophobicContact CG2-CG1 4.14Å; V381-I401 HydrophobicContact CG2-CG2 3.94Å; M393-I401 HydrophobicContact CE-CG1 4.29Å; Q397-I401 WeakPolarHBondContact O-CG1 3.46Å; Q397-I401 PolarHBondContact O-N 2.75Å; Q397-I401 VanDerWaalsContact O-N 3.1Å; W398-I401 PolarHBondContact O-N 3.44Å; I401-A403 VanDerWaalsContact C-N 3.34Å; I401-A403 PolarHBondContact O-N 3.06Å; I401-L404 PolarHBondContact O-N 3.13Å; I401-K405 WeakPolarHBondContact O-CG 3.36Å; I401-K405 PolarHBondContact O-N 3.19Å
402K95.7Very high95.4Very high116 Ų11648.5 Ų48.550%0.50423%0.234SC..Hα-helixtrans-61.7-42.3177.7-177.1-177.3170.2-142.70111.7E312 W398 L399 I400 K405 R406E312-K402 WeakPolarHBondContact OE2-CD 3.47Å; E312-K402 WeakPolarHBondContact OE2-CE 3.49Å; E312-K402 IonicContact OE2-NZ 3.04Å; E312-K402 PolarHBondContact OE2-NZ 3.24Å; W398-K402 WeakPolarHBondContact O-CB 3.32Å; W398-K402 PolarHBondContact O-N 2.94Å; L399-K402 PolarHBondContact O-N 3.12Å; I400-K402 PolarHBondContact O-N 3.45Å; K402-K405 PolarHBondContact O-N 3.08Å; K402-R406 WeakPolarHBondContact O-CB 3.37Å; K402-R406 PolarHBondContact O-N 2.89Å
403A97Very high95.8Very high0 Ų044.7 Ų44.70%021%0.212CC..Hα-helixtrans-64.2-42.4177.300000111.9L308 E312 L315 L399 I400 I401 R406 I407L308-A403 HydrophobicContact CD1-CB 3.35Å; L308-A403 HydrophobicContact CD2-CB 4.04Å; L308-A403 HydrophobicContact CG-CB 3.55Å; E312-A403 HydrophobicContact CB-CB 3.56Å; E312-A403 HydrophobicContact CG-CB 4.4Å; L315-A403 HydrophobicContact CD1-CB 4.35Å; L399-A403 VanDerWaalsContact O-CB 3.3Å; L399-A403 WeakPolarHBondContact O-CB 3.4Å; L399-A403 PolarHBondContact O-N 3.2Å; I400-A403 PolarHBondContact O-N 3.11Å; I401-A403 VanDerWaalsContact C-N 3.34Å; I401-A403 PolarHBondContact O-N 3.06Å; A403-R406 WeakPolarHBondContact O-CB 3.38Å; A403-R406 PolarHBondContact O-N 3.43Å; A403-I407 WeakPolarHBondContact O-CG1 3.4Å; A403-I407 PolarHBondContact O-N 2.93Å
404L98.1Very high95.9Very high0 Ų046.6 Ų46.60%022%0.221CC..Hα-helixtrans-61.9-44.4175.2-74.3168.8000112.4I327 I338 I359 L363 W373 L377 I400 I401 R406 I407 S408I327-L404 HydrophobicContact CD1-CD2 3.55Å; I327-L404 HydrophobicContact CG1-CD2 4.46Å; I338-L404 HydrophobicContact CD1-CD1 4.38Å; I338-L404 HydrophobicContact CD1-CD2 4.14Å; I359-L404 HydrophobicContact CD1-CD1 4Å; I359-L404 HydrophobicContact CG2-CD1 3.78Å; L363-L404 HydrophobicContact CD1-CD1 4.4Å; L363-L404 HydrophobicContact CD1-CD2 4.45Å; W373-L404 HydrophobicContact CE3-CD2 4.43Å; W373-L404 HydrophobicContact CZ3-CD2 3.97Å; L377-L404 HydrophobicContact CD1-CB 3.83Å; L377-L404 HydrophobicContact CD2-CB 4.48Å; L377-L404 HydrophobicContact CD2-CD1 4.1Å; I400-L404 HydrophobicContact CG2-CD1 4.01Å; I400-L404 WeakPolarHBondContact O-CG 3.38Å; I400-L404 PolarHBondContact O-N 3.28Å; I401-L404 PolarHBondContact O-N 3.13Å; L404-R406 VanDerWaalsContact C-N 3.34Å; L404-R406 PolarHBondContact O-N 2.9Å; L404-I407 PolarHBondContact O-N 3.45Å; L404-S408 WeakPolarHBondContact O-CB 3.31Å; L404-S408 PolarHBondContact O-N 2.78Å
405K97.1Very high96.1Very high62 Ų6246.7 Ų46.727%0.2722%0.216SC..Hα-helixtrans-62-41.5174.1-72.5-171.4173.1-1690112.1L377 D378 I401 K402 S408 S409L377-K405 HydrophobicContact CD1-CG 3.65Å; D378-K405 IonicContact OD1-NZ 2.67Å; D378-K405 PolarHBondContact OD1-NZ 3.31Å; D378-K405 IonicContact OD2-NZ 2.66Å; I401-K405 WeakPolarHBondContact O-CG 3.36Å; I401-K405 PolarHBondContact O-N 3.19Å; K402-K405 PolarHBondContact O-N 3.08Å; K405-S408 PolarHBondContact O-N 3.33Å; K405-S409 PolarHBondContact O-N 3.46Å
406R96.1Very high96.2Very high132 Ų13241.7 Ų41.750%0.49819%0.187SC..Hα-helixtrans-60.7-46.7175.3-173.1-179.5-178.3174.63.6111.4Y311 K402 A403 L404 S408 S409 L410Y311-R406 VanDerWaalsContact O-CD 3.24Å; Y311-R406 WeakPolarHBondContact O-CD 3.39Å; Y311-R406 PolarHBondContact O-NH1 2.92Å; K402-R406 WeakPolarHBondContact O-CB 3.37Å; K402-R406 PolarHBondContact O-N 2.89Å; A403-R406 WeakPolarHBondContact O-CB 3.38Å; A403-R406 PolarHBondContact O-N 3.43Å; L404-R406 VanDerWaalsContact C-N 3.34Å; L404-R406 PolarHBondContact O-N 2.9Å; R406-S408 VanDerWaalsContact C-N 3.34Å; R406-S408 PolarHBondContact O-N 3.18Å; R406-S409 PolarHBondContact O-N 3Å; R406-S409 PolarHBondContact O-OG 3.17Å; R406-L410 WeakPolarHBondContact O-CG 3.32Å; R406-L410 PolarHBondContact O-N 3.23Å
407I97.1Very high96.4Very high0 Ų039.1 Ų39.10%017%0.174CC..Hα-helixtrans-59.7-45.9174.9-72.2171.4000110.6F217 L306 L308 Y311 I327 W373 A403 L404 S409 L410 F411F217-I407 HydrophobicContact CE1-CG2 4.07Å; F217-I407 HydrophobicContact CZ-CG2 4.45Å; L306-I407 HydrophobicContact CD1-CD1 4.46Å; L306-I407 HydrophobicContact CD1-CG2 3.82Å; L308-I407 HydrophobicContact CD1-CD1 3.61Å; Y311-I407 HydrophobicContact CD1-CG1 4.16Å; Y311-I407 HydrophobicContact CD2-CD1 3.65Å; Y311-I407 HydrophobicContact CD2-CG1 3.81Å; Y311-I407 HydrophobicContact CE2-CD1 4.26Å; Y311-I407 HydrophobicContact CE2-CG1 4.41Å; Y311-I407 HydrophobicContact CG-CD1 4.03Å; Y311-I407 HydrophobicContact CG-CG1 3.7Å; I327-I407 HydrophobicContact CD1-CD1 3.74Å; W373-I407 HydrophobicContact CH2-CG2 4.04Å; W373-I407 HydrophobicContact CZ3-CB 4.43Å; W373-I407 HydrophobicContact CZ3-CG2 3.88Å; A403-I407 WeakPolarHBondContact O-CG1 3.4Å; A403-I407 PolarHBondContact O-N 2.93Å; L404-I407 PolarHBondContact O-N 3.45Å; I407-S409 VanDerWaalsContact C-N 3.27Å; I407-S409 PolarHBondContact O-N 3.15Å; I407-L410 PolarHBondContact O-N 3.13Å; I407-F411 HydrophobicContact CG2-CD2 4.18Å; I407-F411 HydrophobicContact CG2-CE2 3.47Å; I407-F411 VanDerWaalsContact CG2-CE2 3.47Å; I407-F411 HydrophobicContact CG2-CZ 3.86Å; I407-F411 PolarHBondContact O-N 2.86Å
408S97Very high96.4Very high0 Ų040.4 Ų40.40%018%0.179CC..Hα-helixtrans-59-36.8177.8-1650000112.6T370 H371 S372 W373 L404 K405 R406 L410T370-S408 VanDerWaalsContact CA-O 3.3Å; T370-S408 WeakPolarHBondContact CA-O 3.49Å; H371-S408 PolarHBondContact N-O 2.77Å; S372-S408 PolarHBondContact N-OG 2.99Å; W373-S408 WeakPolarHBondContact CB-OG 3.42Å; W373-S408 PolarHBondContact N-OG 2.95Å; L404-S408 WeakPolarHBondContact O-CB 3.31Å; L404-S408 PolarHBondContact O-N 2.78Å; K405-S408 PolarHBondContact O-N 3.33Å; R406-S408 VanDerWaalsContact C-N 3.34Å; R406-S408 PolarHBondContact O-N 3.18Å; S408-L410 VanDerWaalsContact C-N 3.29Å; S408-L410 PolarHBondContact O-N 3.39Å
409S95.4Very high96.5Very high43 Ų4334.8 Ų34.830%0.30116%0.16SC..Hα-helixtrans-70.8-20.4176.974.50000114.6H371 K405 R406 I407H371-S409 VanDerWaalsContact CE1-CB 3.47Å; H371-S409 WeakPolarHBondContact CE1-CB 3.4Å; K405-S409 PolarHBondContact O-N 3.46Å; R406-S409 PolarHBondContact O-N 3Å; R406-S409 PolarHBondContact O-OG 3.17Å; I407-S409 VanDerWaalsContact C-N 3.27Å; I407-S409 PolarHBondContact O-N 3.15Å
410L95.1Very high96.5Very high46 Ų4634.3 Ų34.324%0.24116%0.156CC..Hα-helixtrans-87.7-27.2179.5-69.1172.9000112.8T216 F217 Y311 R406 I407 S408T216-L410 HydrophobicContact CG2-CB 4.24Å; T216-L410 VanDerWaalsContact CG2-O 3.23Å; T216-L410 WeakPolarHBondContact CG2-O 3.38Å; F217-L410 HydrophobicContact CE1-CB 3.94Å; F217-L410 HydrophobicContact CE1-CD1 4.1Å; F217-L410 HydrophobicContact CE2-CB 4.28Å; F217-L410 HydrophobicContact CZ-CB 3.56Å; Y311-L410 HydrophobicContact CD1-CD1 4.07Å; Y311-L410 HydrophobicContact CE1-CD1 4.2Å; R406-L410 WeakPolarHBondContact O-CG 3.32Å; R406-L410 PolarHBondContact O-N 3.23Å; I407-L410 PolarHBondContact O-N 3.13Å; S408-L410 VanDerWaalsContact C-N 3.29Å; S408-L410 PolarHBondContact O-N 3.39Å
411F94.4Very high96.4Very high10 Ų1037.5 Ų37.54%0.04417%0.17CC..  trans-62.30170.6-70.9-46.5000111.3W89 F217 F304 L306 F329 C368 T370 W373 I407W89-F411 AromaticContact CD1-CD1 3.43Å; W89-F411 VanDerWaalsContact CD1-CD1 3.43Å; W89-F411 AromaticContact CD1-CE1 3.95Å; W89-F411 HydrophobicContact CD2-CD1 4.26Å; W89-F411 HydrophobicContact CD2-CE1 4.26Å; W89-F411 AromaticContact CE2-CD1 3.85Å; W89-F411 HydrophobicContact CG-CD1 4.02Å; W89-F411 HydrophobicContact CG-CE1 4.09Å; W89-F411 AromaticContact NE1-CD1 3.3Å; W89-F411 VanDerWaalsContact NE1-CD1 3.3Å; F217-F411 HydrophobicContact CD2-CE1 4.32Å; F217-F411 HydrophobicContact CE1-CE1 4.24Å; F217-F411 HydrophobicContact CE1-CZ 4.48Å; F217-F411 AromaticContact CE2-CD1 3.38Å; F217-F411 HydrophobicContact CE2-CD1 3.38Å; F217-F411 AromaticContact CE2-CE1 3.43Å; F217-F411 HydrophobicContact CE2-CE1 3.43Å; F217-F411 VanDerWaalsContact CE2-CE1 3.43Å; F217-F411 HydrophobicContact CE2-CG 4.33Å; F217-F411 HydrophobicContact CE2-CZ 4.4Å; F217-F411 AromaticContact CZ-CD1 3.4Å; F217-F411 HydrophobicContact CZ-CD1 3.4Å; F217-F411 VanDerWaalsContact CZ-CD1 3.4Å; F217-F411 AromaticContact CZ-CE1 3.39Å; F217-F411 HydrophobicContact CZ-CE1 3.39Å; F217-F411 HydrophobicContact CZ-CE2 4.46Å; F217-F411 HydrophobicContact CZ-CG 4.01Å; F217-F411 AromaticContact CZ-CZ 3.95Å; F217-F411 HydrophobicContact CZ-CZ 3.95Å; F304-F411 HydrophobicContact CE2-CE1 4.23Å; F304-F411 HydrophobicContact CE2-CZ 4.27Å; F304-F411 HydrophobicContact CZ-CE1 4.16Å; F304-F411 HydrophobicContact CZ-CZ 4.33Å; L306-F411 HydrophobicContact CD1-CE1 4.46Å; L306-F411 HydrophobicContact CD1-CZ 3.93Å; F329-F411 HydrophobicContact CE1-CE2 4.24Å; F329-F411 HydrophobicContact CE1-CZ 4.04Å; F329-F411 HydrophobicContact CZ-CE2 4.3Å; F329-F411 AromaticContact CZ-CZ 3.91Å; F329-F411 HydrophobicContact CZ-CZ 3.91Å; C368-F411 HydrophobicContact CB-CB 4.42Å; C368-F411 HydrophobicContact CB-CD1 3.8Å; C368-F411 HydrophobicContact CB-CD2 3.8Å; C368-F411 HydrophobicContact CB-CE1 3.89Å; C368-F411 HydrophobicContact CB-CE2 3.91Å; C368-F411 HydrophobicContact CB-CG 3.75Å; C368-F411 HydrophobicContact CB-CZ 3.95Å; C368-F411 WeakPolarHBondContact SG-CZ 3.47Å; T370-F411 WeakPolarHBondContact CA-OXT 3.24Å; T370-F411 WeakPolarHBondContact CB-OXT 3.26Å; T370-F411 WeakPolarHBondContact CG2-OXT 3.2Å; T370-F411 PolarHBondContact N-OXT 3.27Å; T370-F411 VanDerWaalsContact N-OXT 3.09Å; T370-F411 PolarHBondContact OG1-OXT 3.45Å; W373-F411 HydrophobicContact CH2-CD2 4.3Å; W373-F411 AromaticContact CH2-CE2 3.5Å; W373-F411 HydrophobicContact CH2-CE2 3.5Å; W373-F411 VanDerWaalsContact CH2-CE2 3.5Å; W373-F411 HydrophobicContact CH2-CZ 4.4Å; W373-F411 HydrophobicContact CZ2-CD2 4.08Å; W373-F411 AromaticContact CZ2-CE2 3.54Å; W373-F411 HydrophobicContact CZ2-CE2 3.54Å; W373-F411 HydrophobicContact CZ3-CE2 4.29Å; I407-F411 HydrophobicContact CG2-CD2 4.18Å; I407-F411 HydrophobicContact CG2-CE2 3.47Å; I407-F411 VanDerWaalsContact CG2-CE2 3.47Å; I407-F411 HydrophobicContact CG2-CZ 3.86Å; I407-F411 PolarHBondContact O-N 2.86Å

Retrieved 411 of 411 residues in 876.3 ms (Link to these results)

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