A0A3Q0KQ34_SCHMA Loading...

Solute carrier family 12 member 9

AlphaFold DB (A0A5K4ESU4), UniProt , Accession A0A3Q0KQ34, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 998 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
1M33Very low38.6Very low252 Ų252153 Ų153100%1.24182%0.822SS**  026.90-98.6-171.7178.700113.3
2A38.5Very low38.6Very low92 Ų92149.9 Ų149.976%0.7681%0.812SS**  trans-129.825.3-172.600000115.6
3D42.1Very low39Very low164 Ų164148.2 Ų148.288%0.87781%0.809SS**  trans-139.438.7179.2-83.9-37.6000114
4I45.7Very low39.7Very low158 Ų158147.7 Ų147.781%0.8180%0.803SS**SBendtrans-104.7-7.4171.3-64.1177.1000112.5K6I4-K6 PolarHBondContact O-N 3.29Å
5N38Very low41Very low157 Ų157142.8 Ų142.884%0.8478%0.784SS**  trans-103.839.7-176.1-73.2-7.6000114.3P7N5-P7 WeakPolarHBondContact O-CD 3.3Å
6K37.2Very low43Very low185 Ų185138.9 Ų138.980%0.80475%0.754SS**SBendtrans-82.4114.9158.6-137.1172.9-170.9172.50106.5I4 L8I4-K6 PolarHBondContact O-N 3.29Å; K6-L8 PolarHBondContact O-N 3.48Å; K6-L8 VanDerWaalsContact O-N 3.15Å
7P33.9Very low45.2Very low106 Ų106136.4 Ų136.469%0.68873%0.731SS**  trans-57.5125.7178.924.2-31.3000107.5N5 D9N5-P7 WeakPolarHBondContact O-CD 3.3Å; P7-D9 VanDerWaalsContact C-N 3.32Å; P7-D9 PolarHBondContact O-N 3.18Å
8L39.1Very low47.1Very low162 Ų162131.8 Ų131.885%0.84871%0.709SS**  trans-53.9104.4165.5-80.4141.1000105.6K6 D10K6-L8 PolarHBondContact O-N 3.48Å; K6-L8 VanDerWaalsContact O-N 3.15Å; L8-D10 PolarHBondContact O-N 3.2Å
9D39.9Very low49.1Very low133 Ų133125.4 Ų125.471%0.71168%0.675SS**  trans-52.5110.5164.3-90.7-28.1000105.6P7 N11P7-D9 VanDerWaalsContact C-N 3.32Å; P7-D9 PolarHBondContact O-N 3.18Å; D9-N11 PolarHBondContact O-N 2.94Å
10D37.7Very low51Low149 Ų149123.2 Ų123.280%0.79766%0.662SS**  trans-65.349.6165.8-79.5-30.6000109.9L8 V12L8-D10 PolarHBondContact O-N 3.2Å; D10-V12 PolarHBondContact O-N 3.38Å
11N39.6Very low52.9Low125 Ų125119.2 Ų119.267%0.66864%0.643SS**  trans-6082.9144.2-73.6-44.5000105.2D9 V13D9-N11 PolarHBondContact O-N 2.94Å; N11-V13 WeakPolarHBondContact O-CG2 3.43Å; N11-V13 PolarHBondContact O-N 2.92Å
12V39Very low55.7Low116 Ų116112.4 Ų112.470%0.70361%0.606SS**  trans-52.292.5154.2177.10000103.9D10 I14D10-V12 PolarHBondContact O-N 3.38Å; V12-I14 HydrophobicContact CG1-CG1 4.46Å; V12-I14 PolarHBondContact O-N 3.3Å
13V43.4Very low57.8Low127 Ų127108 Ų10877%0.7757%0.57SS**  trans-66.291.3172.7178.10000103.1N11 S15N11-V13 WeakPolarHBondContact O-CG2 3.43Å; N11-V13 PolarHBondContact O-N 2.92Å; V13-S15 PolarHBondContact O-N 3.04Å
14I49Very low59.8Low142 Ų142100.2 Ų100.273%0.72853%0.528SS*.  trans-52.3110.9175.1-61.6172.6000104.9V12 R16V12-I14 HydrophobicContact CG1-CG1 4.46Å; V12-I14 PolarHBondContact O-N 3.3Å; I14-R16 PolarHBondContact O-N 3.49Å; I14-R16 VanDerWaalsContact O-N 3.13Å
15S59.5Low62Low74 Ų7492.7 Ų92.752%0.51749%0.489SS..  trans-56.5122.6-175.8175.60000108.9V13 R17V13-S15 PolarHBondContact O-N 3.04Å; S15-R17 PolarHBondContact O-N 3.45Å; S15-R17 VanDerWaalsContact O-N 3.14Å; S15-R17 PolarHBondContact OG-N 2.98Å
16R72.5Confident64.7Low80 Ų8086.6 Ų86.630%0.30246%0.456SS..SBendtrans-61.6-18.2173.5-67.5-171.2-172.1-167.80.8111.8I14 T18 E274 E354 R358 T372 G376I14-R16 PolarHBondContact O-N 3.49Å; I14-R16 VanDerWaalsContact O-N 3.13Å; R16-T18 PolarHBondContact O-N 2.7Å; R16-E274 WeakPolarHBondContact O-CA 3.23Å; R16-E354 IonicContact NH1-OE1 2.62Å; R16-E354 PolarHBondContact NH1-OE1 3.3Å; R16-E354 VanDerWaalsContact NH1-OE1 3.17Å; R16-R358 VanDerWaalsContact NH1-NH2 3.12Å; R16-T372 PolarHBondContact NH2-OG1 3.43Å; R16-G376 PolarHBondContact NH1-O 3.44Å; R16-G376 PolarHBondContact NH2-O 3Å
17R80.1Confident67.4Low97 Ų9777.8 Ų77.837%0.36642%0.417SS..  trans-82.175.3-173.1-67.7-173170.31692.1112.8S15 V81 G273 E274 L275 K276S15-R17 PolarHBondContact O-N 3.45Å; S15-R17 VanDerWaalsContact O-N 3.14Å; S15-R17 PolarHBondContact OG-N 2.98Å; R17-V81 PolarHBondContact NH2-O 3.4Å; R17-G273 WeakPolarHBondContact CG-O 3.22Å; R17-E274 CarbonylContact C-O 3.54Å; R17-E274 VanDerWaalsContact CA-O 3.27Å; R17-E274 WeakPolarHBondContact CA-O 3.4Å; R17-L275 WeakPolarHBondContact CB-O 3.44Å; R17-L275 WeakPolarHBondContact CD-O 3.4Å; R17-L275 WeakPolarHBondContact CG-O 3.29Å; R17-K276 VanDerWaalsContact O-CG 3.3Å; R17-K276 WeakPolarHBondContact O-CG 3.48Å
18T80.3Confident70.1Confident54 Ų5472.9 Ų72.933%0.33139%0.385SS..  trans-105.2-16.6-17858.80000113.7R16 E274 K276R16-T18 PolarHBondContact O-N 2.7Å; T18-E274 PolarHBondContact N-O 3.44Å; T18-K276 WeakPolarHBondContact O-CE 3.25Å
19L83.8Confident72.8Confident10 Ų1065.1 Ų65.15%0.05235%0.345CS..BIsolated β-bridgetrans-86.2136-171.2-56.9179.3000112.2A171 V271 E274 L275 K276L19-A171 HydrophobicContact CD2-CB 3.32Å; L19-V271 HydrophobicContact CD1-CG1 3.53Å; L19-E274 VanDerWaalsContact CB-O 3.32Å; L19-E274 WeakPolarHBondContact CB-O 3.39Å; L19-E274 HydrophobicContact CD1-CB 3.87Å; L19-E274 HydrophobicContact CG-CB 4.26Å; L19-E274 PolarHBondContact N-O 2.91Å; L19-L275 HydrophobicContact CB-CD2 4.02Å; L19-L275 WeakPolarHBondContact O-CA 3.47Å; L19-K276 PolarHBondContact O-N 3.27Å
20N88.6Confident75.4Confident81 Ų8158.9 Ų58.943%0.43331%0.312SS..  trans-87.7169.3171.8-65.1-8.8000110.6F22 G23 G24 K276N20-F22 VanDerWaalsContact C-N 3.3Å; N20-F22 PolarHBondContact O-N 3.27Å; N20-G23 PolarHBondContact O-N 3.11Å; N20-G24 PolarHBondContact O-N 2.9Å; N20-K276 WeakPolarHBondContact OD1-CD 3.47Å; N20-K276 VanDerWaalsContact OD1-CE 3.32Å; N20-K276 WeakPolarHBondContact OD1-CE 3.05Å; N20-K276 PolarHBondContact OD1-NZ 3.25Å
21T90.7Very high78Confident40 Ų4051.9 Ų51.925%0.24527%0.274CS..Hα-helixtrans-50.8-45.2176.5-48.90000113.6V25 F26 S281 L284T21-V25 WeakPolarHBondContact O-CB 3.34Å; T21-V25 PolarHBondContact O-N 3.24Å; T21-V25 VanDerWaalsContact O-N 3.13Å; T21-F26 PolarHBondContact O-N 3.28Å; T21-F26 VanDerWaalsContact O-N 3.12Å; T21-S281 WeakPolarHBondContact CG2-O 3.47Å; T21-S281 PolarHBondContact OG1-OG 3.24Å; T21-S281 VanDerWaalsContact OG1-OG 3.09Å; T21-L284 HydrophobicContact CG2-CB 4.3Å; T21-L284 HydrophobicContact CG2-CD2 4.42Å; T21-L284 HydrophobicContact CG2-CG 4.48Å
22F90.4Very high80.5Confident108 Ų10846 Ų4647%0.47424%0.243SC..Iπ-helixtrans-66.8-54.5-175.1-175.4-114.9000111.7N20 F26 C27 Y175 L178N20-F22 VanDerWaalsContact C-N 3.3Å; N20-F22 PolarHBondContact O-N 3.27Å; F22-F26 HydrophobicContact CD2-CB 4.09Å; F22-F26 AromaticContact CD2-CD1 3.46Å; F22-F26 HydrophobicContact CD2-CD1 3.46Å; F22-F26 VanDerWaalsContact CD2-CD1 3.46Å; F22-F26 HydrophobicContact CD2-CE1 4.13Å; F22-F26 AromaticContact CD2-CG 3.95Å; F22-F26 HydrophobicContact CD2-CG 3.95Å; F22-F26 AromaticContact CE2-CD1 3.21Å; F22-F26 HydrophobicContact CE2-CD1 3.21Å; F22-F26 AromaticContact CE2-CE1 3.44Å; F22-F26 HydrophobicContact CE2-CE1 3.44Å; F22-F26 VanDerWaalsContact CE2-CE1 3.44Å; F22-F26 HydrophobicContact CE2-CG 4.12Å; F22-F26 HydrophobicContact CE2-CZ 4.47Å; F22-F26 HydrophobicContact CZ-CD1 4.15Å; F22-F26 HydrophobicContact CZ-CE1 4.27Å; F22-F26 WeakPolarHBondContact O-CB 3.44Å; F22-F26 PolarHBondContact O-N 3.35Å; F22-C27 PolarHBondContact O-N 2.94Å; F22-C27 PolarHBondContact O-SG 3.27Å; F22-Y175 HydrophobicContact CD1-CD1 4.16Å; F22-Y175 AromaticContact CD1-CE1 3.4Å; F22-Y175 HydrophobicContact CD1-CE1 3.4Å; F22-Y175 AromaticContact CE1-CD1 3.99Å; F22-Y175 HydrophobicContact CE1-CD1 3.99Å; F22-Y175 AromaticContact CE1-CE1 3.7Å; F22-Y175 HydrophobicContact CE1-CE1 3.7Å; F22-Y175 HydrophobicContact CG-CE1 4.4Å; F22-L178 HydrophobicContact CZ-CD2 3.89Å
23G82.7Confident83Confident0 Ų040.4 Ų40.40%021%0.209CC..Iπ-helixtrans-73.3-40.3-178.800000115.2N20 Y175N20-G23 PolarHBondContact O-N 3.11Å; G23-Y175 WeakPolarHBondContact CA-OH 3.38Å; G23-Y175 PolarHBondContact N-OH 3.46Å
24G84.4Confident85.3Confident0 Ų034.5 Ų34.50%017%0.173CC..Iπ-helixtrans-79.1-31.7-174.600000113.5N20 G268N20-G24 PolarHBondContact O-N 2.9Å; G24-G268 WeakPolarHBondContact O-CA 3.41Å
25V92.7Very high87Confident0 Ų027.7 Ų27.70%014%0.138CC..Iπ-helixtrans-117-63.8-174.5-171.60000111.4T21 C27 S28 V29 L275 T286T21-V25 WeakPolarHBondContact O-CB 3.34Å; T21-V25 PolarHBondContact O-N 3.24Å; T21-V25 VanDerWaalsContact O-N 3.13Å; V25-C27 PolarHBondContact O-N 3.3Å; V25-S28 PolarHBondContact O-N 3.08Å; V25-V29 HydrophobicContact CG1-CG2 4.34Å; V25-V29 WeakPolarHBondContact O-CB 3.12Å; V25-V29 VanDerWaalsContact O-CG2 3.31Å; V25-V29 WeakPolarHBondContact O-CG2 3.39Å; V25-V29 PolarHBondContact O-N 3.44Å; V25-L275 HydrophobicContact CG2-CD1 3.61Å; V25-L275 HydrophobicContact CG2-CD2 3.81Å; V25-L275 HydrophobicContact CG2-CG 4.39Å; V25-T286 WeakPolarHBondContact CG1-OG1 3.31Å
26F94.7Very high88Confident29 Ų2925.1 Ų25.113%0.12712%0.12CC..Iπ-helixtrans-57.3-54-173.5175.9-89.9000112T21 F22 S28 V29 T30 L178 S288 A289 C292T21-F26 PolarHBondContact O-N 3.28Å; T21-F26 VanDerWaalsContact O-N 3.12Å; F22-F26 HydrophobicContact CD2-CB 4.09Å; F22-F26 AromaticContact CD2-CD1 3.46Å; F22-F26 HydrophobicContact CD2-CD1 3.46Å; F22-F26 VanDerWaalsContact CD2-CD1 3.46Å; F22-F26 HydrophobicContact CD2-CE1 4.13Å; F22-F26 AromaticContact CD2-CG 3.95Å; F22-F26 HydrophobicContact CD2-CG 3.95Å; F22-F26 AromaticContact CE2-CD1 3.21Å; F22-F26 HydrophobicContact CE2-CD1 3.21Å; F22-F26 AromaticContact CE2-CE1 3.44Å; F22-F26 HydrophobicContact CE2-CE1 3.44Å; F22-F26 VanDerWaalsContact CE2-CE1 3.44Å; F22-F26 HydrophobicContact CE2-CG 4.12Å; F22-F26 HydrophobicContact CE2-CZ 4.47Å; F22-F26 HydrophobicContact CZ-CD1 4.15Å; F22-F26 HydrophobicContact CZ-CE1 4.27Å; F22-F26 WeakPolarHBondContact O-CB 3.44Å; F22-F26 PolarHBondContact O-N 3.35Å; F26-S28 VanDerWaalsContact C-N 3.32Å; F26-S28 PolarHBondContact O-N 3.44Å; F26-V29 PolarHBondContact O-N 3.04Å; F26-T30 VanDerWaalsContact O-CB 3.28Å; F26-T30 WeakPolarHBondContact O-CB 3.36Å; F26-T30 PolarHBondContact O-N 3.37Å; F26-T30 PolarHBondContact O-OG1 3.44Å; F26-T30 VanDerWaalsContact O-OG1 3.06Å; F26-L178 HydrophobicContact CD1-CD2 4.44Å; F26-L178 HydrophobicContact CE1-CD2 4.23Å; F26-S288 WeakPolarHBondContact CD2-OG 3.5Å; F26-A289 HydrophobicContact CD2-CB 3.95Å; F26-A289 HydrophobicContact CE2-CB 4.38Å; F26-C292 HydrophobicContact CE2-CB 4.12Å; F26-C292 HydrophobicContact CZ-CB 4.24Å
27C93Very high88.6Confident0 Ų021.4 Ų21.40%011%0.106CC..Hα-helixtrans-59-44.4-178.8-64.10000111.6F22 V25 L31 L174 L178F22-C27 PolarHBondContact O-N 2.94Å; F22-C27 PolarHBondContact O-SG 3.27Å; V25-C27 PolarHBondContact O-N 3.3Å; C27-L31 VanDerWaalsContact O-CB 3.3Å; C27-L31 WeakPolarHBondContact O-CB 3.35Å; C27-L31 WeakPolarHBondContact O-CG 3.29Å; C27-L31 PolarHBondContact O-N 2.84Å; C27-L174 HydrophobicContact CB-CB 4.46Å; C27-L178 HydrophobicContact CB-CD2 4.11Å; C27-L178 WeakPolarHBondContact SG-CD2 3.33Å
28S91.9Very high89.1Confident3 Ų316.8 Ų16.82%0.0219%0.089CC..Hα-helixtrans-67.5-39.1-178.2-171.40000112.7V25 F26 S32V25-S28 PolarHBondContact O-N 3.08Å; F26-S28 VanDerWaalsContact C-N 3.32Å; F26-S28 PolarHBondContact O-N 3.44Å; S28-S32 VanDerWaalsContact O-CB 3.23Å; S28-S32 WeakPolarHBondContact O-CB 3.15Å; S28-S32 PolarHBondContact O-N 3.3Å
29V94.4Very high89.6Confident0 Ų014.2 Ų14.20%07%0.073CC..Hα-helixtrans-74.6-47179.4175.60000110.3V25 F26 S32 Q33 A289V25-V29 HydrophobicContact CG1-CG2 4.34Å; V25-V29 WeakPolarHBondContact O-CB 3.12Å; V25-V29 VanDerWaalsContact O-CG2 3.31Å; V25-V29 WeakPolarHBondContact O-CG2 3.39Å; V25-V29 PolarHBondContact O-N 3.44Å; F26-V29 PolarHBondContact O-N 3.04Å; V29-S32 PolarHBondContact O-N 3.22Å; V29-Q33 HydrophobicContact CG1-CG 4.46Å; V29-Q33 WeakPolarHBondContact O-CB 3.25Å; V29-Q33 WeakPolarHBondContact O-CG 3.37Å; V29-Q33 PolarHBondContact O-N 2.92Å; V29-A289 HydrophobicContact CB-CB 3.75Å; V29-A289 HydrophobicContact CG1-CB 3.6Å
30T94.4Very high89.7Confident2 Ų214.2 Ų14.21%0.0127%0.073CC..Hα-helixtrans-60.1-49.6-179.8-650000112.2F26 S32 Q33 F34 L178 A289 T293F26-T30 VanDerWaalsContact O-CB 3.28Å; F26-T30 WeakPolarHBondContact O-CB 3.36Å; F26-T30 PolarHBondContact O-N 3.37Å; F26-T30 PolarHBondContact O-OG1 3.44Å; F26-T30 VanDerWaalsContact O-OG1 3.06Å; T30-S32 VanDerWaalsContact C-N 3.34Å; T30-S32 PolarHBondContact O-N 3.43Å; T30-Q33 PolarHBondContact O-N 3.28Å; T30-Q33 VanDerWaalsContact O-N 3.15Å; T30-F34 HydrophobicContact CG2-CD2 3.94Å; T30-F34 HydrophobicContact CG2-CE2 3.29Å; T30-F34 HydrophobicContact CG2-CZ 3.63Å; T30-F34 WeakPolarHBondContact O-CD2 3.4Å; T30-F34 PolarHBondContact O-N 3.45Å; T30-L178 HydrophobicContact CG2-CD1 4.08Å; T30-A289 WeakPolarHBondContact OG1-CB 3.07Å; T30-T293 HydrophobicContact CG2-CG2 3.91Å
31L93.3Very high89.8Confident1 Ų112.3 Ų12.31%0.0056%0.06CC..Hα-helixtrans-62.5-41.4177.8-78.6170.5000112.3C27 Q33 F34 S35 L174 I177 L178 V181C27-L31 VanDerWaalsContact O-CB 3.3Å; C27-L31 WeakPolarHBondContact O-CB 3.35Å; C27-L31 WeakPolarHBondContact O-CG 3.29Å; C27-L31 PolarHBondContact O-N 2.84Å; L31-Q33 PolarHBondContact O-N 3.47Å; L31-F34 PolarHBondContact O-N 3.29Å; L31-S35 PolarHBondContact O-N 3.33Å; L31-S35 VanDerWaalsContact O-N 3.1Å; L31-L174 HydrophobicContact CD1-CB 4.2Å; L31-L174 HydrophobicContact CD1-CD2 3.8Å; L31-L174 WeakPolarHBondContact CD1-O 3.38Å; L31-I177 HydrophobicContact CD1-CB 4.2Å; L31-I177 HydrophobicContact CD1-CG2 3.91Å; L31-I177 HydrophobicContact CD2-CG2 3.73Å; L31-I177 HydrophobicContact CG-CG2 4.47Å; L31-L178 HydrophobicContact CD1-CB 4.03Å; L31-L178 HydrophobicContact CD2-CB 4.4Å; L31-L178 HydrophobicContact CD2-CD1 4.18Å; L31-L178 HydrophobicContact CG-CB 4.25Å; L31-L178 HydrophobicContact CG-CD1 4.08Å; L31-V181 HydrophobicContact CD2-CB 4.14Å; L31-V181 HydrophobicContact CD2-CG1 4.39Å; L31-V181 HydrophobicContact CD2-CG2 3.9Å
32S91.5Very high89.8Confident1 Ų110.4 Ų10.41%0.0075%0.048CC..Hα-helixtrans-67.1-25177.3-171.90000113.2S28 V29 T30 S35 G264 N267S28-S32 VanDerWaalsContact O-CB 3.23Å; S28-S32 WeakPolarHBondContact O-CB 3.15Å; S28-S32 PolarHBondContact O-N 3.3Å; V29-S32 PolarHBondContact O-N 3.22Å; T30-S32 VanDerWaalsContact C-N 3.34Å; T30-S32 PolarHBondContact O-N 3.43Å; S32-S35 WeakPolarHBondContact O-CB 3.32Å; S32-G264 WeakPolarHBondContact OG-CA 3.22Å; S32-N267 VanDerWaalsContact CB-ND2 3.31Å; S32-N267 WeakPolarHBondContact CB-ND2 3.42Å; S32-N267 PolarHBondContact OG-ND2 3.22Å
33Q92.4Very high89.9Confident0 Ų05.3 Ų5.30%03%0.026CC..Hα-helixtrans-84.9-33.1177-77.1-169.5-13.800113V29 T30 L31 G261 V262 I265 T293 Y297V29-Q33 HydrophobicContact CG1-CG 4.46Å; V29-Q33 WeakPolarHBondContact O-CB 3.25Å; V29-Q33 WeakPolarHBondContact O-CG 3.37Å; V29-Q33 PolarHBondContact O-N 2.92Å; T30-Q33 PolarHBondContact O-N 3.28Å; T30-Q33 VanDerWaalsContact O-N 3.15Å; L31-Q33 PolarHBondContact O-N 3.47Å; Q33-G261 CarbonylContact C-O 3.59Å; Q33-G261 VanDerWaalsContact CA-O 3.3Å; Q33-G261 WeakPolarHBondContact CA-O 3.3Å; Q33-G261 VanDerWaalsContact O-O 3.11Å; Q33-V262 PolarHBondContact NE2-O 3.44Å; Q33-I265 VanDerWaalsContact NE2-CG2 3.27Å; Q33-T293 HydrophobicContact CB-CG2 3.85Å; Q33-T293 PolarHBondContact OE1-OG1 3.02Å; Q33-Y297 PolarHBondContact O-OH 3.1Å
34F91Very high90.3Very high2 Ų25.5 Ų5.51%0.0093%0.027CC..Hα-helixtrans-62.8-47.4170.7-69.1-36.2000111T30 L31 V37 I38 V181 I185 T293 I296 Y297 T337T30-F34 HydrophobicContact CG2-CD2 3.94Å; T30-F34 HydrophobicContact CG2-CE2 3.29Å; T30-F34 HydrophobicContact CG2-CZ 3.63Å; T30-F34 WeakPolarHBondContact O-CD2 3.4Å; T30-F34 PolarHBondContact O-N 3.45Å; L31-F34 PolarHBondContact O-N 3.29Å; F34-V37 PolarHBondContact O-N 2.98Å; F34-I38 HydrophobicContact CB-CG2 4.02Å; F34-I38 HydrophobicContact CD1-CD1 3.73Å; F34-I38 HydrophobicContact CE1-CD1 4.08Å; F34-I38 HydrophobicContact CG-CD1 4.46Å; F34-I38 PolarHBondContact O-N 2.95Å; F34-V181 HydrophobicContact CD2-CG1 3.84Å; F34-V181 HydrophobicContact CE2-CG1 4.25Å; F34-I185 HydrophobicContact CD1-CD1 4.42Å; F34-I185 HydrophobicContact CD2-CD1 4.13Å; F34-I185 HydrophobicContact CE1-CD1 4.14Å; F34-I185 HydrophobicContact CE2-CD1 3.79Å; F34-I185 HydrophobicContact CG-CD1 4.44Å; F34-I185 HydrophobicContact CZ-CD1 3.83Å; F34-T293 HydrophobicContact CD1-CG2 4.35Å; F34-T293 HydrophobicContact CE1-CG2 3.94Å; F34-T293 HydrophobicContact CZ-CG2 4.24Å; F34-I296 HydrophobicContact CE1-CB 4.09Å; F34-I296 HydrophobicContact CE1-CD1 3.97Å; F34-I296 HydrophobicContact CE1-CG2 3.79Å; F34-I296 HydrophobicContact CZ-CD1 3.53Å; F34-I296 HydrophobicContact CZ-CG2 4.33Å; F34-Y297 WeakPolarHBondContact CA-OH 3.47Å; F34-Y297 PolarHBondContact O-OH 3.4Å; F34-Y297 VanDerWaalsContact O-OH 3.11Å; F34-T337 HydrophobicContact CB-CG2 4.01Å
35S85.1Confident90.7Very high0 Ų05.5 Ų5.50%03%0.027CC..THydrogen-bonded Turntrans40.2-146.9175.368.70000113.3L31 S32 V37 Y117 G261 T337L31-S35 PolarHBondContact O-N 3.33Å; L31-S35 VanDerWaalsContact O-N 3.1Å; S32-S35 WeakPolarHBondContact O-CB 3.32Å; S35-V37 VanDerWaalsContact C-N 3.3Å; S35-V37 PolarHBondContact OG-N 2.83Å; S35-Y117 VanDerWaalsContact CB-CE1 3.45Å; S35-G261 WeakPolarHBondContact OG-CA 3.42Å; S35-G261 PolarHBondContact OG-O 3.47Å; S35-T337 WeakPolarHBondContact O-CB 3.4Å; S35-T337 PolarHBondContact O-OG1 2.66Å
36S80.4Confident90.8Very high20 Ų205.5 Ų5.514%0.143%0.027CC..THydrogen-bonded Turntrans-76-18.5169.949.10000112.8I38 F39 L40S36-I38 PolarHBondContact O-N 3.29Å; S36-F39 PolarHBondContact O-N 2.83Å; S36-L40 WeakPolarHBondContact O-CB 3.29Å; S36-L40 PolarHBondContact O-N 2.83Å
37V85.5Confident90.7Very high1 Ų14.1 Ų4.11%0.0062%0.02CC..Iπ-helixtrans-65.5-44.2-167.2173.50000112.3F34 S35 F39 R41 L42 I45 L258 Y297F34-V37 PolarHBondContact O-N 2.98Å; S35-V37 VanDerWaalsContact C-N 3.3Å; S35-V37 PolarHBondContact OG-N 2.83Å; V37-F39 VanDerWaalsContact C-N 3.28Å; V37-F39 PolarHBondContact O-N 3.43Å; V37-R41 HydrophobicContact CG1-CB 4.35Å; V37-R41 CarbonylContact O-C 3.57Å; V37-R41 PolarHBondContact O-N 3.39Å; V37-R41 VanDerWaalsContact O-N 3.1Å; V37-L42 PolarHBondContact O-N 2.89Å; V37-I45 HydrophobicContact CG1-CD1 3.92Å; V37-L258 HydrophobicContact CG1-CD1 4.42Å; V37-Y297 HydrophobicContact CG1-CE1 4.18Å
38I90.3Very high90.7Very high0 Ų04.2 Ų4.20%02%0.021CC..Iπ-helixtrans-60.3-35.5-176-166.3168.4000113.2F34 S36 L42 I185 I296 Y297 M300 M320F34-I38 HydrophobicContact CB-CG2 4.02Å; F34-I38 HydrophobicContact CD1-CD1 3.73Å; F34-I38 HydrophobicContact CE1-CD1 4.08Å; F34-I38 HydrophobicContact CG-CD1 4.46Å; F34-I38 PolarHBondContact O-N 2.95Å; S36-I38 PolarHBondContact O-N 3.29Å; I38-L42 WeakPolarHBondContact O-CB 3.29Å; I38-I185 HydrophobicContact CD1-CD1 3.96Å; I38-I185 HydrophobicContact CD1-CG1 4.24Å; I38-I296 HydrophobicContact CD1-CG2 3.71Å; I38-Y297 HydrophobicContact CB-CE1 3.84Å; I38-Y297 HydrophobicContact CG1-CE1 4.13Å; I38-M300 HydrophobicContact CD1-CG 4.35Å; I38-M320 WeakPolarHBondContact O-CE 3.48Å
39F89.8Confident90.8Very high0 Ų04 Ų40%02%0.02CC..Iπ-helixtrans-102-36.5-175.1-64.8-59000114.1S36 V37 V184 I185 V188 M320 V330 V334 T337S36-F39 PolarHBondContact O-N 2.83Å; V37-F39 VanDerWaalsContact C-N 3.28Å; V37-F39 PolarHBondContact O-N 3.43Å; F39-V184 HydrophobicContact CE1-CG1 3.95Å; F39-V184 HydrophobicContact CZ-CB 4.41Å; F39-V184 HydrophobicContact CZ-CG1 3.73Å; F39-I185 HydrophobicContact CE1-CG1 4.44Å; F39-I185 HydrophobicContact CZ-CG1 3.93Å; F39-V188 HydrophobicContact CE1-CG2 4.13Å; F39-M320 HydrophobicContact CD1-SD 3.88Å; F39-V330 HydrophobicContact CB-CG1 4.49Å; F39-V330 HydrophobicContact CD1-CG1 4.12Å; F39-V330 HydrophobicContact CG-CG1 4.45Å; F39-V334 HydrophobicContact CB-CG2 3.47Å; F39-V334 VanDerWaalsContact CB-CG2 3.47Å; F39-V334 HydrophobicContact CD2-CG2 4.09Å; F39-V334 HydrophobicContact CG-CG2 4Å; F39-T337 HydrophobicContact CD2-CG2 4.39Å; F39-T337 HydrophobicContact CE2-CG2 3.88Å
40L86.2Confident90.9Very high11 Ų114 Ų46%0.0582%0.02CC..Iπ-helixtrans-104.4-21.2-172.7-63.1-179.8000114.3S36 A124 N317 I318 V334S36-L40 WeakPolarHBondContact O-CB 3.29Å; S36-L40 PolarHBondContact O-N 2.83Å; L40-A124 HydrophobicContact CD1-CB 4.38Å; L40-N317 CarbonylContact C-O 3.54Å; L40-N317 VanDerWaalsContact O-O 3.12Å; L40-I318 HydrophobicContact CD2-CG1 4.24Å; L40-I318 HydrophobicContact CD2-CG2 4.04Å; L40-V334 HydrophobicContact CD1-CG1 3.78Å; L40-V334 HydrophobicContact CD2-CG1 4.34Å; L40-V334 HydrophobicContact CD2-CG2 4.08Å; L40-V334 HydrophobicContact CG-CG1 4.07Å; L40-V334 HydrophobicContact CG-CG2 4.16Å
41R90.4Very high90.9Very high41 Ų414.4 Ų4.416%0.1552%0.022CC..Iπ-helixtrans-122-11-172.7-55.9-66.2176.8178.5-7.6113.8V37 G43 F44 I45 E123 V257V37-R41 HydrophobicContact CG1-CB 4.35Å; V37-R41 CarbonylContact O-C 3.57Å; V37-R41 PolarHBondContact O-N 3.39Å; V37-R41 VanDerWaalsContact O-N 3.1Å; R41-G43 VanDerWaalsContact C-N 3.3Å; R41-G43 PolarHBondContact O-N 3.31Å; R41-F44 WeakPolarHBondContact O-CB 3.33Å; R41-F44 PolarHBondContact O-N 2.84Å; R41-I45 HydrophobicContact CB-CD1 4.48Å; R41-I45 WeakPolarHBondContact O-CD1 3.29Å; R41-I45 VanDerWaalsContact O-CG1 3.25Å; R41-I45 WeakPolarHBondContact O-CG1 3.36Å; R41-I45 PolarHBondContact O-N 3.42Å; R41-E123 IonicContact NH2-OE1 3.12Å; R41-E123 PolarHBondContact NH2-OE1 3.49Å; R41-E123 VanDerWaalsContact NH2-OE1 3.13Å; R41-E123 IonicContact NH2-OE2 3.51Å; R41-E123 PolarHBondContact NH2-OE2 3.28Å; R41-E123 VanDerWaalsContact NH2-OE2 3.12Å; R41-V257 HydrophobicContact CB-CG1 3.97Å; R41-V257 HydrophobicContact CG-CG1 3.96Å
42L92.1Very high91Very high0 Ų09.8 Ų9.80%05%0.05CC..Hα-helixtrans-59.8-42178.6-162.573.1000112.1V37 I38 I45 I46 Y297 M300 M301 M320V37-L42 PolarHBondContact O-N 2.89Å; I38-L42 WeakPolarHBondContact O-CB 3.29Å; L42-I45 PolarHBondContact O-N 2.91Å; L42-I46 HydrophobicContact CD2-CD1 4.47Å; L42-I46 HydrophobicContact CG-CD1 4.04Å; L42-I46 WeakPolarHBondContact O-CD1 3.49Å; L42-I46 VanDerWaalsContact O-CG1 3.29Å; L42-I46 WeakPolarHBondContact O-CG1 3.27Å; L42-I46 PolarHBondContact O-N 3.44Å; L42-I46 VanDerWaalsContact O-N 3.1Å; L42-Y297 HydrophobicContact CD1-CD1 4.01Å; L42-Y297 HydrophobicContact CD1-CE1 4.37Å; L42-M300 HydrophobicContact CD2-CB 3.58Å; L42-M301 HydrophobicContact CD1-CE 3.69Å; L42-M301 HydrophobicContact CD1-CG 3.61Å; L42-M301 HydrophobicContact CD2-CG 4.5Å; L42-M301 HydrophobicContact CG-CG 4.26Å; L42-M320 HydrophobicContact CB-CE 3.98Å; L42-M320 HydrophobicContact CD2-CE 3.37Å; L42-M320 HydrophobicContact CG-CE 4.27Å
43G91.1Very high91.2Very high0 Ų011.6 Ų11.60%06%0.058CC..Hα-helixtrans-63.3-48.9177.500000111.7R41 I45 I46 A47R41-G43 VanDerWaalsContact C-N 3.3Å; R41-G43 PolarHBondContact O-N 3.31Å; G43-I45 VanDerWaalsContact C-N 3.32Å; G43-I45 PolarHBondContact O-N 3.11Å; G43-I46 PolarHBondContact O-N 2.75Å; G43-A47 VanDerWaalsContact O-CB 3.23Å; G43-A47 WeakPolarHBondContact O-CB 3.26Å; G43-A47 PolarHBondContact O-N 3.37Å
44F91.5Very high91.3Very high4 Ų411.6 Ų11.62%0.0186%0.058CC..Hα-helixtrans-51.6-48173.2168.6-95.6000112.3R41 A47 H48 D242 T249 V254 V257R41-F44 WeakPolarHBondContact O-CB 3.33Å; R41-F44 PolarHBondContact O-N 2.84Å; F44-A47 PolarHBondContact O-N 3.1Å; F44-H48 AromaticContact CD2-CD2 3.39Å; F44-H48 WeakPolarHBondContact CD2-CD2 3.28Å; F44-H48 AromaticContact CD2-NE2 3.59Å; F44-H48 AromaticContact CE2-CD2 3.37Å; F44-H48 WeakPolarHBondContact CE2-CD2 3.28Å; F44-H48 AromaticContact CE2-NE2 3.48Å; F44-H48 WeakPolarHBondContact CE2-NE2 3.24Å; F44-H48 PolarHBondContact O-CD2 2.88Å; F44-H48 VanDerWaalsContact O-CD2 3.23Å; F44-H48 PolarHBondContact O-N 3.12Å; F44-D242 HydrophobicContact CE2-CB 3.99Å; F44-T249 HydrophobicContact CE2-CG2 3.77Å; F44-T249 HydrophobicContact CZ-CG2 3.83Å; F44-V254 HydrophobicContact CE1-CG2 4.09Å; F44-V254 HydrophobicContact CZ-CG2 4.27Å; F44-V257 HydrophobicContact CD1-CG1 4.48Å; F44-V257 HydrophobicContact CE1-CB 4.4Å; F44-V257 HydrophobicContact CE1-CG1 4.46Å; F44-V257 HydrophobicContact CE1-CG2 4.25Å
45I93.4Very high91.6Very high0 Ų013.2 Ų13.20%07%0.066CC..Hα-helixtrans-60.9-50.9-179.2-67.4159.9000110.6V37 R41 L42 G43 A47 A49 S54 V254 L258V37-I45 HydrophobicContact CG1-CD1 3.92Å; R41-I45 HydrophobicContact CB-CD1 4.48Å; R41-I45 WeakPolarHBondContact O-CD1 3.29Å; R41-I45 VanDerWaalsContact O-CG1 3.25Å; R41-I45 WeakPolarHBondContact O-CG1 3.36Å; R41-I45 PolarHBondContact O-N 3.42Å; L42-I45 PolarHBondContact O-N 2.91Å; G43-I45 VanDerWaalsContact C-N 3.32Å; G43-I45 PolarHBondContact O-N 3.11Å; I45-A47 VanDerWaalsContact C-N 3.35Å; I45-A47 PolarHBondContact O-N 2.86Å; I45-A49 WeakPolarHBondContact O-CB 3.28Å; I45-A49 PolarHBondContact O-N 3.03Å; I45-S54 WeakPolarHBondContact CG2-OG 3.4Å; I45-S54 PolarHBondContact O-OG 2.86Å; I45-V254 HydrophobicContact CB-CG1 4.12Å; I45-V254 HydrophobicContact CG1-CG1 3.97Å; I45-V254 HydrophobicContact CG2-CG1 3.9Å; I45-L258 HydrophobicContact CD1-CB 3.97Å; I45-L258 HydrophobicContact CD1-CD1 3.91Å
46I94.5Very high92.1Very high0 Ų018.3 Ų18.30%09%0.093CC..Hα-helixtrans-65.7-37.9-178.8-62.3164000111.4L42 G43 G50 M301 A305 L313L42-I46 HydrophobicContact CD2-CD1 4.47Å; L42-I46 HydrophobicContact CG-CD1 4.04Å; L42-I46 WeakPolarHBondContact O-CD1 3.49Å; L42-I46 VanDerWaalsContact O-CG1 3.29Å; L42-I46 WeakPolarHBondContact O-CG1 3.27Å; L42-I46 PolarHBondContact O-N 3.44Å; L42-I46 VanDerWaalsContact O-N 3.1Å; G43-I46 PolarHBondContact O-N 2.75Å; I46-G50 WeakPolarHBondContact O-CA 3.32Å; I46-G50 PolarHBondContact O-N 3.06Å; I46-M301 HydrophobicContact CD1-CB 4.21Å; I46-M301 HydrophobicContact CD1-CG 4.21Å; I46-M301 HydrophobicContact CG1-CG 4.37Å; I46-A305 HydrophobicContact CG2-CB 3.96Å; I46-L313 HydrophobicContact CB-CD1 4.38Å; I46-L313 HydrophobicContact CG2-CD1 3.88Å
47A92.5Very high92.7Very high0 Ų017.4 Ų17.40%09%0.087CC..Hα-helixtrans-65.4-44.8-176.300000112.5G43 F44 I45 R310 L313 L314G43-A47 VanDerWaalsContact O-CB 3.23Å; G43-A47 WeakPolarHBondContact O-CB 3.26Å; G43-A47 PolarHBondContact O-N 3.37Å; F44-A47 PolarHBondContact O-N 3.1Å; I45-A47 VanDerWaalsContact C-N 3.35Å; I45-A47 PolarHBondContact O-N 2.86Å; A47-R310 PolarHBondContact O-NE 2.99Å; A47-R310 PolarHBondContact O-NH2 3.25Å; A47-L313 HydrophobicContact CB-CB 3.63Å; A47-L314 HydrophobicContact CB-CB 4.41Å; A47-L314 HydrophobicContact CB-CD2 3.48Å; A47-L314 VanDerWaalsContact CB-CD2 3.48Å; A47-L314 HydrophobicContact CB-CG 3.77Å
48H93.7Very high93.2Very high2 Ų217.3 Ų17.31%0.0099%0.086CC..Hα-helixtrans-84-51-176.4-71.6-75.3000112.4F44 M238 Y239 S240 T249 V254F44-H48 AromaticContact CD2-CD2 3.39Å; F44-H48 WeakPolarHBondContact CD2-CD2 3.28Å; F44-H48 AromaticContact CD2-NE2 3.59Å; F44-H48 AromaticContact CE2-CD2 3.37Å; F44-H48 WeakPolarHBondContact CE2-CD2 3.28Å; F44-H48 AromaticContact CE2-NE2 3.48Å; F44-H48 WeakPolarHBondContact CE2-NE2 3.24Å; F44-H48 PolarHBondContact O-CD2 2.88Å; F44-H48 VanDerWaalsContact O-CD2 3.23Å; F44-H48 PolarHBondContact O-N 3.12Å; H48-M238 CarbonylContact O-C 3.39Å; H48-M238 PolarHBondContact O-N 3.2Å; H48-Y239 HydrophobicContact CB-CD1 4.11Å; H48-Y239 HydrophobicContact CB-CE1 4.4Å; H48-S240 PolarHBondContact CE1-O 3.41Å; H48-S240 VanDerWaalsContact CE1-O 3.28Å; H48-S240 PolarHBondContact CE1-OG 3.35Å; H48-S240 PolarHBondContact ND1-N 3.38Å; H48-S240 PolarHBondContact ND1-O 3.03Å; H48-T249 PolarHBondContact CE1-OG1 3.4Å; H48-T249 PolarHBondContact ND1-OG1 3.04Å; H48-V254 HydrophobicContact CB-CG2 4.04Å
49A94.2Very high93.5Very high0 Ų022.1 Ų22.10%011%0.108CC..Hα-helixtrans-81.5-17.7-178.400000112.5I45 E53 P237 V254I45-A49 WeakPolarHBondContact O-CB 3.28Å; I45-A49 PolarHBondContact O-N 3.03Å; A49-E53 HydrophobicContact CB-CB 4.09Å; A49-E53 HydrophobicContact CB-CG 4.38Å; A49-E53 WeakPolarHBondContact O-CB 3.33Å; A49-P237 VanDerWaalsContact O-CA 3.3Å; A49-P237 WeakPolarHBondContact O-CA 3.44Å; A49-P237 VanDerWaalsContact O-CB 3.29Å; A49-P237 WeakPolarHBondContact O-CB 3.44Å; A49-V254 HydrophobicContact CB-CG1 4.21Å
50G94.9Very high93.7Very high0 Ų024.7 Ų24.70%012%0.121CC..Hα-helixtrans70.9164.6-167.800000111.3I46 L52 S54 N234I46-G50 WeakPolarHBondContact O-CA 3.32Å; I46-G50 PolarHBondContact O-N 3.06Å; G50-L52 PolarHBondContact O-N 3.1Å; G50-S54 WeakPolarHBondContact O-CB 3.46Å; G50-S54 PolarHBondContact O-N 3.35Å; G50-S54 PolarHBondContact O-OG 3.25Å; G50-N234 CarbonylContact C-O 3.54Å; G50-N234 VanDerWaalsContact CA-O 3.31Å; G50-N234 WeakPolarHBondContact CA-O 3.49Å
51L95.4Very high94.1Very high10 Ų1024.2 Ų24.25%0.05212%0.118CC..Hα-helixtrans-61.5-43.8-175-179.764.2000112.3S54 I55 F231 N234 I235 M301 I302 A305L51-S54 PolarHBondContact O-N 3.48Å; L51-I55 HydrophobicContact CD1-CD1 3.78Å; L51-I55 HydrophobicContact CD1-CG1 4.19Å; L51-I55 HydrophobicContact CG-CD1 3.9Å; L51-I55 WeakPolarHBondContact O-CB 3.15Å; L51-I55 VanDerWaalsContact O-CG1 3.29Å; L51-I55 WeakPolarHBondContact O-CG1 3.39Å; L51-I55 PolarHBondContact O-N 3.14Å; L51-F231 HydrophobicContact CD2-CD2 4.23Å; L51-F231 HydrophobicContact CD2-CE2 3.3Å; L51-F231 HydrophobicContact CD2-CZ 3.54Å; L51-N234 PolarHBondContact N-O 3.23Å; L51-I235 PolarHBondContact N-O 3.28Å; L51-M301 HydrophobicContact CD1-CB 4.1Å; L51-I302 HydrophobicContact CD1-CG1 4.37Å; L51-A305 HydrophobicContact CB-CB 4.07Å; L51-A305 HydrophobicContact CD1-CB 3.93Å; L51-A305 HydrophobicContact CD2-CB 3.96Å; L51-A305 HydrophobicContact CG-CB 4.21Å
52L95.3Very high94.3Very high113 Ų11322.8 Ų22.859%0.59211%0.113SC*.Hα-helixtrans-66.6-47.4-174.4-176.265.7000111.8G50 I55 L56 I235G50-L52 PolarHBondContact O-N 3.1Å; L52-I55 PolarHBondContact O-N 3.35Å; L52-L56 PolarHBondContact O-N 3.13Å; L52-I235 HydrophobicContact CB-CG2 4.5Å; L52-I235 PolarHBondContact N-O 3.45Å
53E95.3Very high94.5Very high40 Ų4027.6 Ų27.619%0.18713%0.134CC..Hα-helixtrans-72.5-32.9179-162.3177.3-163.400111.4A49 L56 Q57 P237 Y239 F251A49-E53 HydrophobicContact CB-CB 4.09Å; A49-E53 HydrophobicContact CB-CG 4.38Å; A49-E53 WeakPolarHBondContact O-CB 3.33Å; E53-L56 WeakPolarHBondContact O-CB 3.31Å; E53-L56 PolarHBondContact O-N 3.47Å; E53-Q57 WeakPolarHBondContact O-CB 3.21Å; E53-Q57 WeakPolarHBondContact O-CG 3.32Å; E53-Q57 PolarHBondContact O-N 2.88Å; E53-P237 VanDerWaalsContact OE2-CB 3.23Å; E53-P237 WeakPolarHBondContact OE2-CB 3.49Å; E53-Y239 PolarHBondContact OE1-OH 2.76Å; E53-Y239 VanDerWaalsContact OE1-OH 3.07Å; E53-Y239 PolarHBondContact OE2-OH 3.13Å; E53-F251 HydrophobicContact CG-CD2 4.15Å; E53-F251 HydrophobicContact CG-CE2 4.17Å; E53-F251 WeakPolarHBondContact OE1-CD2 3.4Å
54S95.4Very high94.7Very high0 Ų027.8 Ų27.80%014%0.135CC..Hα-helixtrans-60.2-46.1172.4-62.60000111.9I45 G50 L51 L56 Q57 L58I45-S54 WeakPolarHBondContact CG2-OG 3.4Å; I45-S54 PolarHBondContact O-OG 2.86Å; G50-S54 WeakPolarHBondContact O-CB 3.46Å; G50-S54 PolarHBondContact O-N 3.35Å; G50-S54 PolarHBondContact O-OG 3.25Å; L51-S54 PolarHBondContact O-N 3.48Å; S54-L56 VanDerWaalsContact C-N 3.34Å; S54-Q57 PolarHBondContact O-N 3.46Å; S54-L58 WeakPolarHBondContact O-CB 3.45Å; S54-L58 PolarHBondContact O-N 3.26Å
55I96.1Very high94.9Very high35 Ų3527.6 Ų27.618%0.17913%0.134CC..Hα-helixtrans-63.6-41.8175.8-71.9172.5000110.3L51 L52 L58 F59 L298 I302L51-I55 HydrophobicContact CD1-CD1 3.78Å; L51-I55 HydrophobicContact CD1-CG1 4.19Å; L51-I55 HydrophobicContact CG-CD1 3.9Å; L51-I55 WeakPolarHBondContact O-CB 3.15Å; L51-I55 VanDerWaalsContact O-CG1 3.29Å; L51-I55 WeakPolarHBondContact O-CG1 3.39Å; L51-I55 PolarHBondContact O-N 3.14Å; L52-I55 PolarHBondContact O-N 3.35Å; I55-L58 WeakPolarHBondContact O-CB 3.31Å; I55-L58 PolarHBondContact O-N 3.31Å; I55-F59 HydrophobicContact CG2-CD2 3.53Å; I55-F59 HydrophobicContact CG2-CE2 3.44Å; I55-F59 VanDerWaalsContact CG2-CE2 3.44Å; I55-F59 VanDerWaalsContact O-CD2 3.24Å; I55-F59 WeakPolarHBondContact O-CD2 3.28Å; I55-F59 PolarHBondContact O-N 3.47Å; I55-L298 HydrophobicContact CG1-CD2 4.13Å; I55-L298 HydrophobicContact CG2-CD2 4.11Å; I55-I302 HydrophobicContact CD1-CG1 4.35Å
56L95.5Very high95Very high108 Ų10830.6 Ų30.657%0.56515%0.15SC*.Hα-helixtrans-60.5-46.7175.6-179.167.1000112L52 E53 S54 L58 F59 L60L52-L56 PolarHBondContact O-N 3.13Å; E53-L56 WeakPolarHBondContact O-CB 3.31Å; E53-L56 PolarHBondContact O-N 3.47Å; S54-L56 VanDerWaalsContact C-N 3.34Å; L56-L58 VanDerWaalsContact C-N 3.31Å; L56-L58 PolarHBondContact O-N 3.24Å; L56-F59 PolarHBondContact O-N 2.89Å; L56-L60 VanDerWaalsContact O-CB 3.28Å; L56-L60 WeakPolarHBondContact O-CB 3.4Å; L56-L60 PolarHBondContact O-N 3.45Å
57Q94.5Very high95.1Very high0 Ų031 Ų310%015%0.152CC..Hα-helixtrans-63-37.8176.5-73.117919.700111.9E53 S54 S61 F251 F255 L258E53-Q57 WeakPolarHBondContact O-CB 3.21Å; E53-Q57 WeakPolarHBondContact O-CG 3.32Å; E53-Q57 PolarHBondContact O-N 2.88Å; S54-Q57 PolarHBondContact O-N 3.46Å; Q57-S61 WeakPolarHBondContact O-CB 3.28Å; Q57-S61 PolarHBondContact O-N 3.45Å; Q57-S61 PolarHBondContact O-OG 3.31Å; Q57-F251 HydrophobicContact CG-CD2 4.09Å; Q57-F251 HydrophobicContact CG-CE2 3.4Å; Q57-F251 VanDerWaalsContact CG-CE2 3.4Å; Q57-F251 HydrophobicContact CG-CZ 3.89Å; Q57-F255 HydrophobicContact CB-CD2 4.22Å; Q57-F255 HydrophobicContact CG-CD2 4.33Å; Q57-L258 HydrophobicContact CB-CD2 3.81Å
58L95.3Very high95.3Very high0 Ų031 Ų310%015%0.152CC..Hα-helixtrans-63.1-51.9174.5-17273.4000110.7S54 I55 L56 L60 S61 Y62 L258 L294 Y297 L298 M301S54-L58 WeakPolarHBondContact O-CB 3.45Å; S54-L58 PolarHBondContact O-N 3.26Å; I55-L58 WeakPolarHBondContact O-CB 3.31Å; I55-L58 PolarHBondContact O-N 3.31Å; L56-L58 VanDerWaalsContact C-N 3.31Å; L56-L58 PolarHBondContact O-N 3.24Å; L58-L60 VanDerWaalsContact C-N 3.32Å; L58-L60 PolarHBondContact O-N 3.49Å; L58-S61 PolarHBondContact O-N 2.88Å; L58-Y62 HydrophobicContact CD1-CD2 3.85Å; L58-Y62 HydrophobicContact CD1-CE2 3.5Å; L58-Y62 VanDerWaalsContact CD1-CE2 3.5Å; L58-Y62 HydrophobicContact CG-CD2 4.04Å; L58-Y62 HydrophobicContact CG-CE2 4.11Å; L58-Y62 WeakPolarHBondContact O-CD2 3.33Å; L58-Y62 PolarHBondContact O-N 2.74Å; L58-L258 HydrophobicContact CB-CD2 4.37Å; L58-L258 HydrophobicContact CD1-CD1 3.98Å; L58-L258 HydrophobicContact CD1-CD2 4.47Å; L58-L294 HydrophobicContact CD2-CD1 3.94Å; L58-L294 HydrophobicContact CG-CD1 4.04Å; L58-Y297 HydrophobicContact CD1-CG 4.37Å; L58-L298 HydrophobicContact CD2-CD2 3.84Å; L58-L298 HydrophobicContact CD2-CG 3.98Å; L58-M301 HydrophobicContact CB-CE 4.38Å; L58-M301 HydrophobicContact CD1-CE 4.08Å; L58-M301 HydrophobicContact CD2-CE 4.14Å; L58-M301 HydrophobicContact CD2-SD 4.02Å; L58-M301 HydrophobicContact CG-CE 4.44Å
59F95.9Very high95.4Very high101 Ų10131 Ų3144%0.44315%0.152SC..Hα-helixtrans-59.6-42.2176.9-84.8-65.1000112.3I55 L56 S61 Y62 F63 L298I55-F59 HydrophobicContact CG2-CD2 3.53Å; I55-F59 HydrophobicContact CG2-CE2 3.44Å; I55-F59 VanDerWaalsContact CG2-CE2 3.44Å; I55-F59 VanDerWaalsContact O-CD2 3.24Å; I55-F59 WeakPolarHBondContact O-CD2 3.28Å; I55-F59 PolarHBondContact O-N 3.47Å; L56-F59 PolarHBondContact O-N 2.89Å; F59-S61 PolarHBondContact O-N 3.43Å; F59-Y62 PolarHBondContact O-N 2.88Å; F59-F63 WeakPolarHBondContact O-CB 3.27Å; F59-F63 PolarHBondContact O-N 3.34Å; F59-L298 HydrophobicContact CE2-CD2 4.25Å; F59-L298 HydrophobicContact CZ-CD1 4.17Å; F59-L298 HydrophobicContact CZ-CD2 4.47Å
60L94.2Very high95.4Very high54 Ų5432.5 Ų32.528%0.28316%0.159SC..Hα-helixtrans-61.2-44.8176.6-177.758.4000111.9L56 L58 F63 I64 F251 F255 M453L56-L60 VanDerWaalsContact O-CB 3.28Å; L56-L60 WeakPolarHBondContact O-CB 3.4Å; L56-L60 PolarHBondContact O-N 3.45Å; L58-L60 VanDerWaalsContact C-N 3.32Å; L58-L60 PolarHBondContact O-N 3.49Å; L60-F63 PolarHBondContact O-N 2.84Å; L60-I64 HydrophobicContact CD1-CD1 4.43Å; L60-I64 WeakPolarHBondContact O-CG1 3.44Å; L60-I64 PolarHBondContact O-N 3.48Å; L60-I64 VanDerWaalsContact O-N 3.15Å; L60-F251 HydrophobicContact CD2-CZ 4.45Å; L60-F255 HydrophobicContact CD2-CE2 4.19Å; L60-F255 HydrophobicContact CG-CE2 4.23Å; L60-M453 HydrophobicContact CD1-CE 4.03Å; L60-M453 HydrophobicContact CD2-CE 3.47Å; L60-M453 VanDerWaalsContact CD2-CE 3.47Å; L60-M453 HydrophobicContact CG-CE 3.88Å
61S94.1Very high95.4Very high0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-61.4-51.7176.2-60.10000111.2Q57 L58 F59 F63 I64 L65 F255Q57-S61 WeakPolarHBondContact O-CB 3.28Å; Q57-S61 PolarHBondContact O-N 3.45Å; Q57-S61 PolarHBondContact O-OG 3.31Å; L58-S61 PolarHBondContact O-N 2.88Å; F59-S61 PolarHBondContact O-N 3.43Å; S61-F63 VanDerWaalsContact C-N 3.3Å; S61-F63 PolarHBondContact O-N 3.34Å; S61-I64 PolarHBondContact O-N 3.4Å; S61-L65 VanDerWaalsContact O-CG 3.27Å; S61-L65 WeakPolarHBondContact O-CG 3.28Å; S61-L65 PolarHBondContact O-N 2.91Å; S61-F255 WeakPolarHBondContact OG-CE2 3.18Å
62Y96Very high95.3Very high12 Ų1232.3 Ų32.35%0.04716%0.158CC..Hα-helixtrans-66.7-30.5-179.8-86-101.3000112.7L58 F59 L65 L66 V262 L290 T293 L294 Y297L58-Y62 HydrophobicContact CD1-CD2 3.85Å; L58-Y62 HydrophobicContact CD1-CE2 3.5Å; L58-Y62 VanDerWaalsContact CD1-CE2 3.5Å; L58-Y62 HydrophobicContact CG-CD2 4.04Å; L58-Y62 HydrophobicContact CG-CE2 4.11Å; L58-Y62 WeakPolarHBondContact O-CD2 3.33Å; L58-Y62 PolarHBondContact O-N 2.74Å; F59-Y62 PolarHBondContact O-N 2.88Å; Y62-L65 PolarHBondContact O-N 3.03Å; Y62-L66 WeakPolarHBondContact O-CB 3.46Å; Y62-L66 PolarHBondContact O-N 3.1Å; Y62-V262 HydrophobicContact CE2-CG1 3.85Å; Y62-L290 HydrophobicContact CD1-CD2 3.73Å; Y62-L290 HydrophobicContact CE1-CB 4.5Å; Y62-L290 HydrophobicContact CE1-CD2 3.66Å; Y62-L290 WeakPolarHBondContact CE1-O 3.3Å; Y62-T293 WeakPolarHBondContact OH-CB 3.38Å; Y62-T293 PolarHBondContact OH-OG1 2.98Å; Y62-T293 VanDerWaalsContact OH-OG1 3.05Å; Y62-L294 HydrophobicContact CD1-CB 3.9Å; Y62-L294 HydrophobicContact CD1-CD1 4.05Å; Y62-L294 HydrophobicContact CD1-CG 4.38Å; Y62-L294 HydrophobicContact CD2-CD1 3.86Å; Y62-L294 HydrophobicContact CE1-CB 3.7Å; Y62-L294 HydrophobicContact CE1-CD1 4.37Å; Y62-L294 HydrophobicContact CE2-CD1 4.19Å; Y62-L294 HydrophobicContact CG-CB 4.5Å; Y62-L294 HydrophobicContact CG-CD1 3.77Å; Y62-Y297 WeakPolarHBondContact OH-CD2 3.46Å
63F95.8Very high95.3Very high100 Ų10027 Ų2744%0.43913%0.13SC..Hα-helixtrans-63.4-49.8173.8-179.1-109.1000111.3F59 L60 S61 L65 L66 L67 L445F59-F63 WeakPolarHBondContact O-CB 3.27Å; F59-F63 PolarHBondContact O-N 3.34Å; L60-F63 PolarHBondContact O-N 2.84Å; S61-F63 VanDerWaalsContact C-N 3.3Å; S61-F63 PolarHBondContact O-N 3.34Å; F63-L65 VanDerWaalsContact C-N 3.32Å; F63-L65 PolarHBondContact O-N 2.81Å; F63-L66 PolarHBondContact O-N 3.5Å; F63-L67 HydrophobicContact CD1-CD1 4.13Å; F63-L67 HydrophobicContact CE1-CD1 3.7Å; F63-L67 HydrophobicContact CE2-CD1 4.49Å; F63-L67 HydrophobicContact CZ-CD1 3.92Å; F63-L67 HydrophobicContact CZ-CG 4.5Å; F63-L67 WeakPolarHBondContact O-CG 3.29Å; F63-L67 PolarHBondContact O-N 3.3Å; F63-L67 VanDerWaalsContact O-N 3.07Å; F63-L445 HydrophobicContact CE1-CD2 4.03Å; F63-L445 HydrophobicContact CE1-CG 4.43Å; F63-L445 HydrophobicContact CZ-CD2 3.67Å
64I94.7Very high95.1Very high4 Ų425 Ų252%0.02112%0.121CC..Hα-helixtrans-61.7-42.3176.7-65.4170.3000111L60 S61 T68 L410 C450 M453L60-I64 HydrophobicContact CD1-CD1 4.43Å; L60-I64 WeakPolarHBondContact O-CG1 3.44Å; L60-I64 PolarHBondContact O-N 3.48Å; L60-I64 VanDerWaalsContact O-N 3.15Å; S61-I64 PolarHBondContact O-N 3.4Å; I64-T68 PolarHBondContact O-N 3.49Å; I64-T68 VanDerWaalsContact O-N 3.13Å; I64-T68 PolarHBondContact O-OG1 2.85Å; I64-L410 HydrophobicContact CG2-CD2 4.47Å; I64-C450 WeakPolarHBondContact CG2-SG 3.29Å; I64-M453 HydrophobicContact CD1-CE 4.28Å; I64-M453 HydrophobicContact CD1-CG 3.52Å
65L95.7Very high94.9Very high0 Ų025.4 Ų25.40%012%0.123CC..Hα-helixtrans-64.8-42.3176.8-68.4175000111.8S61 Y62 F63 L67 T68 V69 F259 V262 I265 L290 Y413S61-L65 VanDerWaalsContact O-CG 3.27Å; S61-L65 WeakPolarHBondContact O-CG 3.28Å; S61-L65 PolarHBondContact O-N 2.91Å; Y62-L65 PolarHBondContact O-N 3.03Å; F63-L65 VanDerWaalsContact C-N 3.32Å; F63-L65 PolarHBondContact O-N 2.81Å; L65-L67 PolarHBondContact O-N 3.1Å; L65-T68 CarbonylContact O-C 3.43Å; L65-T68 WeakPolarHBondContact O-CB 3.42Å; L65-T68 PolarHBondContact O-N 2.88Å; L65-T68 VanDerWaalsContact O-N 3.17Å; L65-V69 WeakPolarHBondContact O-CB 3.3Å; L65-V69 WeakPolarHBondContact O-CG2 3.29Å; L65-V69 PolarHBondContact O-N 2.9Å; L65-F259 HydrophobicContact CD2-CE2 4.17Å; L65-F259 HydrophobicContact CD2-CZ 4.08Å; L65-F259 HydrophobicContact CG-CE2 4.25Å; L65-V262 HydrophobicContact CD1-CB 3.77Å; L65-V262 HydrophobicContact CD1-CG2 3.65Å; L65-V262 WeakPolarHBondContact CD1-O 3.37Å; L65-I265 HydrophobicContact CB-CG2 4.37Å; L65-I265 HydrophobicContact CD1-CG2 4.28Å; L65-I265 HydrophobicContact CD2-CD1 3.81Å; L65-I265 HydrophobicContact CD2-CG1 4.15Å; L65-I265 HydrophobicContact CD2-CG2 4.11Å; L65-I265 HydrophobicContact CG-CG2 4.5Å; L65-L290 HydrophobicContact CB-CD2 4.45Å; L65-Y413 HydrophobicContact CD2-CD2 4.24Å; L65-Y413 HydrophobicContact CD2-CE2 3.81Å
66L96.5Very high94.7Very high64 Ų6423.8 Ų23.834%0.33511%0.114SC..Hα-helixtrans-61.3-44.5179.2-177.467.6000111.4Y62 F63 T68 V69 F70 L287Y62-L66 WeakPolarHBondContact O-CB 3.46Å; Y62-L66 PolarHBondContact O-N 3.1Å; F63-L66 PolarHBondContact O-N 3.5Å; L66-T68 VanDerWaalsContact C-N 3.3Å; L66-T68 PolarHBondContact O-N 3.02Å; L66-V69 PolarHBondContact O-N 3.03Å; L66-V69 VanDerWaalsContact O-N 3.16Å; L66-F70 HydrophobicContact CD1-CD1 4.34Å; L66-F70 HydrophobicContact CD1-CE1 3.63Å; L66-F70 HydrophobicContact CD1-CZ 3.8Å; L66-F70 HydrophobicContact CD2-CE2 4.41Å; L66-F70 HydrophobicContact CD2-CZ 4.01Å; L66-F70 HydrophobicContact CG-CE1 3.98Å; L66-F70 HydrophobicContact CG-CE2 4.11Å; L66-F70 HydrophobicContact CG-CZ 3.71Å; L66-F70 WeakPolarHBondContact O-CG 3.5Å; L66-F70 PolarHBondContact O-N 2.94Å; L66-L287 HydrophobicContact CD1-CD2 3.85Å
67L96.5Very high94.5Very high9 Ų919.3 Ų19.35%0.0479%0.092CC..Hα-helixtrans-59.9-43.2174.8-64.6174.4000111.3F63 L65 V69 F70 S71 T442 L445F63-L67 HydrophobicContact CD1-CD1 4.13Å; F63-L67 HydrophobicContact CE1-CD1 3.7Å; F63-L67 HydrophobicContact CE2-CD1 4.49Å; F63-L67 HydrophobicContact CZ-CD1 3.92Å; F63-L67 HydrophobicContact CZ-CG 4.5Å; F63-L67 WeakPolarHBondContact O-CG 3.29Å; F63-L67 PolarHBondContact O-N 3.3Å; F63-L67 VanDerWaalsContact O-N 3.07Å; L65-L67 PolarHBondContact O-N 3.1Å; L67-V69 VanDerWaalsContact C-N 3.33Å; L67-V69 PolarHBondContact O-N 2.95Å; L67-F70 PolarHBondContact O-N 2.84Å; L67-S71 PolarHBondContact O-N 3.44Å; L67-S71 PolarHBondContact O-OG 3.07Å; L67-T442 HydrophobicContact CD2-CG2 4.27Å; L67-L445 HydrophobicContact CD1-CB 4.05Å; L67-L445 HydrophobicContact CD1-CD2 3.89Å; L67-L445 HydrophobicContact CD1-CG 3.74Å; L67-L445 HydrophobicContact CD2-CD2 4.46Å
68T95.5Very high94.1Very high0 Ų020.7 Ų20.70%010%0.099CC..Hα-helixtrans-65.3-37.4175.8-54.30000111.9I64 L65 L66 S71 I72 I265 M266 Y413 N417I64-T68 PolarHBondContact O-N 3.49Å; I64-T68 VanDerWaalsContact O-N 3.13Å; I64-T68 PolarHBondContact O-OG1 2.85Å; L65-T68 CarbonylContact O-C 3.43Å; L65-T68 WeakPolarHBondContact O-CB 3.42Å; L65-T68 PolarHBondContact O-N 2.88Å; L65-T68 VanDerWaalsContact O-N 3.17Å; L66-T68 VanDerWaalsContact C-N 3.3Å; L66-T68 PolarHBondContact O-N 3.02Å; T68-S71 WeakPolarHBondContact O-CB 3.44Å; T68-S71 PolarHBondContact O-N 2.9Å; T68-I72 HydrophobicContact CG2-CD1 4.21Å; T68-I72 WeakPolarHBondContact O-CG1 3.48Å; T68-I72 PolarHBondContact O-N 3.09Å; T68-I265 HydrophobicContact CG2-CD1 4.05Å; T68-M266 HydrophobicContact CG2-CE 4.46Å; T68-Y413 HydrophobicContact CG2-CD1 3.96Å; T68-Y413 HydrophobicContact CG2-CD2 4.39Å; T68-Y413 HydrophobicContact CG2-CG 3.75Å; T68-N417 WeakPolarHBondContact CA-OD1 3.24Å; T68-N417 PolarHBondContact OG1-ND2 2.86Å; T68-N417 VanDerWaalsContact OG1-ND2 3.08Å
69V95.9Very high93.3Very high1 Ų123.2 Ų23.21%0.00613%0.125CC..Hα-helixtrans-67.7-37.7177.7172.20000110.8L65 L66 L67 S71 I72 C73 I265 T286 L287 L290L65-V69 WeakPolarHBondContact O-CB 3.3Å; L65-V69 WeakPolarHBondContact O-CG2 3.29Å; L65-V69 PolarHBondContact O-N 2.9Å; L66-V69 PolarHBondContact O-N 3.03Å; L66-V69 VanDerWaalsContact O-N 3.16Å; L67-V69 VanDerWaalsContact C-N 3.33Å; L67-V69 PolarHBondContact O-N 2.95Å; V69-S71 VanDerWaalsContact C-N 3.28Å; V69-S71 PolarHBondContact O-N 3.49Å; V69-I72 PolarHBondContact O-N 3.27Å; V69-C73 WeakPolarHBondContact O-CB 3.36Å; V69-C73 PolarHBondContact O-N 3.11Å; V69-C73 PolarHBondContact O-SG 2.81Å; V69-I265 HydrophobicContact CG2-CB 4.24Å; V69-I265 HydrophobicContact CG2-CD1 3.93Å; V69-I265 HydrophobicContact CG2-CG2 4.28Å; V69-T286 HydrophobicContact CG1-CG2 3.85Å; V69-T286 HydrophobicContact CG2-CG2 3.93Å; V69-L287 HydrophobicContact CG1-CD2 3.78Å; V69-L287 HydrophobicContact CG1-CG 4.16Å; V69-L290 HydrophobicContact CB-CD1 4.11Å; V69-L290 HydrophobicContact CG1-CD1 4.1Å; V69-L290 HydrophobicContact CG2-CD1 3.44Å; V69-L290 VanDerWaalsContact CG2-CD1 3.44Å
70F96.1Very high92.4Very high32 Ų3222.5 Ų22.514%0.1414%0.138CC..Hα-helixtrans-58.9-41.3171.9-66.7-15.5000111.9L66 L67 C73 A74 L287 F435L66-F70 HydrophobicContact CD1-CD1 4.34Å; L66-F70 HydrophobicContact CD1-CE1 3.63Å; L66-F70 HydrophobicContact CD1-CZ 3.8Å; L66-F70 HydrophobicContact CD2-CE2 4.41Å; L66-F70 HydrophobicContact CD2-CZ 4.01Å; L66-F70 HydrophobicContact CG-CE1 3.98Å; L66-F70 HydrophobicContact CG-CE2 4.11Å; L66-F70 HydrophobicContact CG-CZ 3.71Å; L66-F70 WeakPolarHBondContact O-CG 3.5Å; L66-F70 PolarHBondContact O-N 2.94Å; L67-F70 PolarHBondContact O-N 2.84Å; F70-C73 PolarHBondContact O-N 3.12Å; F70-A74 WeakPolarHBondContact O-CB 3.44Å; F70-A74 PolarHBondContact O-N 3.28Å; F70-L287 HydrophobicContact CD1-CD2 4.47Å; F70-L287 HydrophobicContact CE1-CD2 4.1Å; F70-F435 HydrophobicContact CB-CE1 4.13Å; F70-F435 AromaticContact CD1-CE1 3.64Å; F70-F435 HydrophobicContact CD1-CE1 3.64Å; F70-F435 AromaticContact CD1-CZ 3.79Å; F70-F435 HydrophobicContact CD1-CZ 3.79Å; F70-F435 HydrophobicContact CE1-CE1 4.35Å; F70-F435 HydrophobicContact CE1-CZ 4.17Å; F70-F435 HydrophobicContact CG-CE1 4.09Å
71S94.3Very high91.9Very high0 Ų020.2 Ų20.20%013%0.126CC..Hα-helixtrans-63.3-45.8173.2-630000112.5L67 T68 V69 C73 A74 I75 N417 C420 S443L67-S71 PolarHBondContact O-N 3.44Å; L67-S71 PolarHBondContact O-OG 3.07Å; T68-S71 WeakPolarHBondContact O-CB 3.44Å; T68-S71 PolarHBondContact O-N 2.9Å; V69-S71 VanDerWaalsContact C-N 3.28Å; V69-S71 PolarHBondContact O-N 3.49Å; S71-C73 VanDerWaalsContact C-N 3.32Å; S71-C73 PolarHBondContact O-N 3.06Å; S71-A74 WeakPolarHBondContact O-CB 3.32Å; S71-A74 PolarHBondContact O-N 3.3Å; S71-I75 WeakPolarHBondContact O-CG1 3.32Å; S71-I75 PolarHBondContact O-N 2.74Å; S71-N417 VanDerWaalsContact CB-OD1 3.24Å; S71-N417 WeakPolarHBondContact CB-OD1 3.24Å; S71-N417 PolarHBondContact OG-OD1 3.14Å; S71-C420 PolarHBondContact O-SG 3.45Å; S71-C420 VanDerWaalsContact O-SG 3.42Å; S71-S443 PolarHBondContact OG-OG 2.94Å
72I93.6Very high91.3Very high6 Ų625.2 Ų25.23%0.03115%0.149CC..Hα-helixtrans-61.2-42175.9-64.1163.2000110.8T68 V69 I75 S76 I265 M266 I282 V416T68-I72 HydrophobicContact CG2-CD1 4.21Å; T68-I72 WeakPolarHBondContact O-CG1 3.48Å; T68-I72 PolarHBondContact O-N 3.09Å; V69-I72 PolarHBondContact O-N 3.27Å; I72-I75 PolarHBondContact O-N 3.47Å; I72-S76 VanDerWaalsContact O-CB 3.29Å; I72-S76 WeakPolarHBondContact O-CB 3.45Å; I72-S76 PolarHBondContact O-N 3.05Å; I72-S76 PolarHBondContact O-OG 3.25Å; I72-I265 HydrophobicContact CD1-CD1 4.1Å; I72-M266 HydrophobicContact CD1-CE 3.6Å; I72-M266 HydrophobicContact CD1-CG 3.79Å; I72-M266 HydrophobicContact CG1-CE 4.06Å; I72-I282 HydrophobicContact CG2-CG2 4.08Å; I72-V416 HydrophobicContact CG1-CG1 4.16Å
73C93.7Very high90.4Very high0 Ų026 Ų260%016%0.162CC..Hα-helixtrans-62.6-43.6178.2-67.30000111.2V69 F70 S71 S76 T77 P283 F435V69-C73 WeakPolarHBondContact O-CB 3.36Å; V69-C73 PolarHBondContact O-N 3.11Å; V69-C73 PolarHBondContact O-SG 2.81Å; F70-C73 PolarHBondContact O-N 3.12Å; S71-C73 VanDerWaalsContact C-N 3.32Å; S71-C73 PolarHBondContact O-N 3.06Å; C73-S76 WeakPolarHBondContact CA-OG 3.32Å; C73-S76 PolarHBondContact O-N 2.66Å; C73-S76 PolarHBondContact O-OG 3.17Å; C73-T77 WeakPolarHBondContact O-CB 3.06Å; C73-T77 WeakPolarHBondContact O-CG2 3.41Å; C73-T77 PolarHBondContact O-N 3.33Å; C73-T77 PolarHBondContact O-OG1 2.92Å; C73-P283 HydrophobicContact CB-CB 4.1Å; C73-P283 HydrophobicContact CB-CG 4.08Å; C73-P283 VanDerWaalsContact SG-CA 3.53Å; C73-F435 HydrophobicContact CB-CB 4.23Å; C73-F435 HydrophobicContact CB-CD1 3.58Å; C73-F435 HydrophobicContact CB-CD2 3.73Å; C73-F435 HydrophobicContact CB-CE1 3.76Å; C73-F435 HydrophobicContact CB-CE2 3.92Å; C73-F435 HydrophobicContact CB-CG 3.56Å; C73-F435 HydrophobicContact CB-CZ 3.93Å
74A92.7Very high89.6Confident0 Ų021.3 Ų21.30%014%0.141CC..Hα-helixtrans-59.2-47.617600000111.8F70 S71 T77 N78 P433 F438F70-A74 WeakPolarHBondContact O-CB 3.44Å; F70-A74 PolarHBondContact O-N 3.28Å; S71-A74 WeakPolarHBondContact O-CB 3.32Å; S71-A74 PolarHBondContact O-N 3.3Å; A74-T77 PolarHBondContact O-N 2.64Å; A74-T77 PolarHBondContact O-OG1 3Å; A74-T77 VanDerWaalsContact O-OG1 3.07Å; A74-N78 WeakPolarHBondContact O-CB 3.35Å; A74-N78 PolarHBondContact O-N 3.29Å; A74-P433 HydrophobicContact CB-CB 3.97Å; A74-F438 HydrophobicContact CB-CB 3.78Å; A74-F438 HydrophobicContact CB-CD1 3.86Å; A74-F438 HydrophobicContact CB-CD2 3.45Å; A74-F438 VanDerWaalsContact CB-CD2 3.45Å; A74-F438 HydrophobicContact CB-CE1 4.32Å; A74-F438 HydrophobicContact CB-CE2 3.96Å; A74-F438 HydrophobicContact CB-CG 3.39Å; A74-F438 HydrophobicContact CB-CZ 4.36Å
75I90.6Very high89.1Confident8 Ų821.1 Ų21.14%0.04114%0.14CC..Hα-helixtrans-67.8-42.5179.4-56.8162.3000110.8S71 I72 T77 N78 M89 L90 T93 V416 C420S71-I75 WeakPolarHBondContact O-CG1 3.32Å; S71-I75 PolarHBondContact O-N 2.74Å; I72-I75 PolarHBondContact O-N 3.47Å; I75-T77 PolarHBondContact O-N 3.18Å; I75-N78 WeakPolarHBondContact O-CB 3.41Å; I75-N78 PolarHBondContact O-N 3.48Å; I75-M89 HydrophobicContact CG2-CB 3.7Å; I75-M89 HydrophobicContact CG2-CG 4.47Å; I75-L90 HydrophobicContact CD1-CD2 3.82Å; I75-T93 HydrophobicContact CG2-CG2 4.13Å; I75-V416 HydrophobicContact CD1-CG1 3.96Å; I75-C420 WeakPolarHBondContact CD1-SG 3.48Å; I75-C420 WeakPolarHBondContact CG1-SG 3.47Å
76S90.8Very high88.6Confident0 Ų021.3 Ų21.30%014%0.142CC..Hα-helixtrans-66.9-21.7-17971.40000113.9I72 C73 V81 S279I72-S76 VanDerWaalsContact O-CB 3.29Å; I72-S76 WeakPolarHBondContact O-CB 3.45Å; I72-S76 PolarHBondContact O-N 3.05Å; I72-S76 PolarHBondContact O-OG 3.25Å; C73-S76 WeakPolarHBondContact CA-OG 3.32Å; C73-S76 PolarHBondContact O-N 2.66Å; C73-S76 PolarHBondContact O-OG 3.17Å; S76-V81 WeakPolarHBondContact O-CG2 3.44Å; S76-S279 VanDerWaalsContact O-CA 3.32Å; S76-S279 WeakPolarHBondContact O-CA 3.33Å; S76-S279 VanDerWaalsContact O-CB 3.29Å; S76-S279 WeakPolarHBondContact O-CB 3.46Å
77T91.3Very high88.2Confident15 Ų1518.3 Ų18.39%0.09213%0.126CC..THydrogen-bonded Turntrans-94.1-3.8174.853.10000112.8C73 A74 I75 G79 S279 P283 T434 F435C73-T77 WeakPolarHBondContact O-CB 3.06Å; C73-T77 WeakPolarHBondContact O-CG2 3.41Å; C73-T77 PolarHBondContact O-N 3.33Å; C73-T77 PolarHBondContact O-OG1 2.92Å; A74-T77 PolarHBondContact O-N 2.64Å; A74-T77 PolarHBondContact O-OG1 3Å; A74-T77 VanDerWaalsContact O-OG1 3.07Å; I75-T77 PolarHBondContact O-N 3.18Å; T77-G79 PolarHBondContact O-N 3.31Å; T77-S279 WeakPolarHBondContact CG2-O 3.38Å; T77-P283 HydrophobicContact CG2-CG 4.06Å; T77-T434 VanDerWaalsContact CB-OG1 3.31Å; T77-T434 WeakPolarHBondContact CB-OG1 3.04Å; T77-T434 PolarHBondContact OG1-N 3.43Å; T77-F435 HydrophobicContact CG2-CB 4.26Å; T77-F435 PolarHBondContact OG1-N 2.83Å
78N86.4Confident87.8Confident28 Ų2818.5 Ų18.515%0.1513%0.126CC..SBendtrans-9465.8-179.3-169.852.1000112A74 I75 N430 F431 R432A74-N78 WeakPolarHBondContact O-CB 3.35Å; A74-N78 PolarHBondContact O-N 3.29Å; I75-N78 WeakPolarHBondContact O-CB 3.41Å; I75-N78 PolarHBondContact O-N 3.48Å; N78-N430 PolarHBondContact OD1-O 3.03Å; N78-F431 VanDerWaalsContact OD1-CA 3.31Å; N78-F431 WeakPolarHBondContact OD1-CA 3.45Å; N78-R432 PolarHBondContact OD1-N 2.97Å
79G79.7Confident87.4Confident53 Ų5319 Ų1955%0.54613%0.129SC..SBendtrans99.9-161.4176.600000115T77T77-G79 PolarHBondContact O-N 3.31Å
80A77.2Confident86.9Confident87 Ų8719.1 Ų19.172%0.71913%0.129SC*.  trans-79.6126.2-175.600000111.7
81V82.3Confident86.4Confident6 Ų617.6 Ų17.64%0.03612%0.122CC..  trans-101.5119.3176.8-1750000109.8R17 S76 M89 P278 I282R17-V81 PolarHBondContact NH2-O 3.4Å; S76-V81 WeakPolarHBondContact O-CG2 3.44Å; V81-M89 HydrophobicContact CG1-CG 3.77Å; V81-M89 HydrophobicContact CG1-SD 3.85Å; V81-M89 HydrophobicContact CG2-CG 4.27Å; V81-M89 HydrophobicContact CG2-SD 4.08Å; V81-P278 HydrophobicContact CB-CB 3.9Å; V81-P278 HydrophobicContact CB-CG 3.83Å; V81-P278 HydrophobicContact CG1-CB 4.15Å; V81-P278 HydrophobicContact CG1-CG 4.5Å; V81-I282 HydrophobicContact CG1-CD1 4.48Å
82E82Confident85.9Confident104 Ų10421.3 Ų21.349%0.48614%0.136SC..  trans-104.4-165.6177.7-55.8-171.316300112.4F88 S272 G273E82-F88 HydrophobicContact CB-CD1 4.12Å; E82-F88 HydrophobicContact CB-CD2 4.18Å; E82-F88 HydrophobicContact CB-CE1 3.66Å; E82-F88 HydrophobicContact CB-CE2 3.72Å; E82-F88 HydrophobicContact CB-CG 4.37Å; E82-F88 HydrophobicContact CB-CZ 3.45Å; E82-F88 VanDerWaalsContact CB-CZ 3.45Å; E82-F88 HydrophobicContact CG-CE1 3.8Å; E82-F88 HydrophobicContact CG-CE2 4.07Å; E82-F88 HydrophobicContact CG-CZ 3.43Å; E82-F88 VanDerWaalsContact CG-CZ 3.43Å; E82-F88 VanDerWaalsContact N-CE1 3.33Å; E82-F88 WeakPolarHBondContact OE2-CE2 3.42Å; E82-F88 WeakPolarHBondContact OE2-CZ 3.33Å; E82-S272 PolarHBondContact O-OG 3.45Å; E82-G273 PolarHBondContact O-N 3.11Å
83G77.6Confident85.3Confident30 Ų3022 Ų2231%0.30914%0.141SC..THydrogen-bonded Turntrans-71.7146.6175.700000112.6
84G79.3Confident84.8Confident1 Ų122.6 Ų22.61%0.0114%0.144CC..THydrogen-bonded Turntrans112.7-9.2-17300000114.2V86 Y87G84-V86 PolarHBondContact O-N 3.4Å; G84-Y87 PolarHBondContact O-N 2.96Å
85G83Confident84.4Confident0 Ų022.6 Ų22.60%014%0.144CC..THydrogen-bonded Turntrans62.8-134171.800000114.2Y87 F88 M89 A269 S272G85-Y87 PolarHBondContact O-N 3.11Å; G85-F88 PolarHBondContact O-N 3.44Å; G85-F88 VanDerWaalsContact O-N 3.13Å; G85-M89 WeakPolarHBondContact O-CG 3.28Å; G85-M89 PolarHBondContact O-N 2.93Å; G85-A269 WeakPolarHBondContact CA-O 3.25Å; G85-S272 VanDerWaalsContact CA-OG 3.31Å; G85-S272 WeakPolarHBondContact CA-OG 3.38Å; G85-S272 PolarHBondContact N-OG 3.35Å
86V85.1Confident84.1Confident4 Ų422.3 Ų22.32%0.02414%0.143CC..Hα-helixtrans-60.9-35.1-176.5-177.30000111.7G84 M89 L90 F106 M266 A269 V416G84-V86 PolarHBondContact O-N 3.4Å; V86-M89 HydrophobicContact CB-CE 4.35Å; V86-M89 HydrophobicContact CG2-CE 3.92Å; V86-M89 PolarHBondContact O-N 3.32Å; V86-L90 HydrophobicContact CG1-CD1 3.76Å; V86-L90 HydrophobicContact CG1-CG 4.16Å; V86-L90 WeakPolarHBondContact O-CB 3.32Å; V86-L90 VanDerWaalsContact O-CG 3.25Å; V86-L90 WeakPolarHBondContact O-CG 3.08Å; V86-L90 PolarHBondContact O-N 3.3Å; V86-F106 HydrophobicContact CB-CE1 4.17Å; V86-F106 HydrophobicContact CG2-CE1 4.43Å; V86-M266 HydrophobicContact CB-SD 4.19Å; V86-M266 HydrophobicContact CG1-CE 4.06Å; V86-M266 HydrophobicContact CG1-SD 3.93Å; V86-M266 HydrophobicContact CG2-CB 4.06Å; V86-M266 HydrophobicContact CG2-CG 3.92Å; V86-M266 HydrophobicContact CG2-SD 3.77Å; V86-A269 HydrophobicContact CG2-CB 3.68Å; V86-V416 HydrophobicContact CG1-CG2 4.32Å
87Y89.6Confident83.9Confident0 Ų023.3 Ų23.30%015%0.148CC..Hα-helixtrans-59.3-51.2173.7162.6-106.8000111.9G84 G85 M89 L90 S91 G99 I352 A355 I356 D359G84-Y87 PolarHBondContact O-N 2.96Å; G85-Y87 PolarHBondContact O-N 3.11Å; Y87-M89 VanDerWaalsContact C-N 3.31Å; Y87-M89 PolarHBondContact O-N 3.48Å; Y87-L90 PolarHBondContact O-N 3.34Å; Y87-S91 WeakPolarHBondContact O-CB 3.37Å; Y87-S91 PolarHBondContact O-N 2.95Å; Y87-S91 PolarHBondContact O-OG 3.41Å; Y87-G99 WeakPolarHBondContact CD2-O 3.29Å; Y87-I352 HydrophobicContact CG-CG2 4.46Å; Y87-A355 HydrophobicContact CD1-CB 3.53Å; Y87-A355 VanDerWaalsContact CE1-C 3.44Å; Y87-A355 HydrophobicContact CE1-CB 3.73Å; Y87-I356 HydrophobicContact CD1-CG1 3.88Å; Y87-I356 HydrophobicContact CD2-CG1 3.95Å; Y87-I356 HydrophobicContact CE1-CB 4.33Å; Y87-I356 HydrophobicContact CE1-CG1 3.7Å; Y87-I356 HydrophobicContact CE2-CG1 3.78Å; Y87-I356 HydrophobicContact CG-CG1 3.96Å; Y87-D359 WeakPolarHBondContact OH-CB 3.28Å; Y87-D359 PolarHBondContact OH-OD2 3.36Å
88F87.7Confident83.6Confident14 Ų1427.2 Ų27.26%0.06116%0.163CC..Hα-helixtrans-59.6-44.8179.3-179.5-86.9000110.8E82 G85 L90 S91 R92E82-F88 HydrophobicContact CB-CD1 4.12Å; E82-F88 HydrophobicContact CB-CD2 4.18Å; E82-F88 HydrophobicContact CB-CE1 3.66Å; E82-F88 HydrophobicContact CB-CE2 3.72Å; E82-F88 HydrophobicContact CB-CG 4.37Å; E82-F88 HydrophobicContact CB-CZ 3.45Å; E82-F88 VanDerWaalsContact CB-CZ 3.45Å; E82-F88 HydrophobicContact CG-CE1 3.8Å; E82-F88 HydrophobicContact CG-CE2 4.07Å; E82-F88 HydrophobicContact CG-CZ 3.43Å; E82-F88 VanDerWaalsContact CG-CZ 3.43Å; E82-F88 VanDerWaalsContact N-CE1 3.33Å; E82-F88 WeakPolarHBondContact OE2-CE2 3.42Å; E82-F88 WeakPolarHBondContact OE2-CZ 3.33Å; G85-F88 PolarHBondContact O-N 3.44Å; G85-F88 VanDerWaalsContact O-N 3.13Å; F88-L90 VanDerWaalsContact C-N 3.31Å; F88-L90 PolarHBondContact O-N 3.35Å; F88-S91 PolarHBondContact O-N 2.85Å; F88-S91 PolarHBondContact O-OG 3.07Å; F88-R92 HydrophobicContact CD1-CG 4.06Å; F88-R92 HydrophobicContact CD2-CG 4.34Å; F88-R92 HydrophobicContact CE1-CG 3.74Å; F88-R92 HydrophobicContact CE2-CG 4.07Å; F88-R92 HydrophobicContact CG-CG 4.34Å; F88-R92 HydrophobicContact CZ-CG 3.73Å; F88-R92 WeakPolarHBondContact O-CB 3.34Å; F88-R92 WeakPolarHBondContact O-CG 3.41Å; F88-R92 PolarHBondContact O-N 2.87Å; F88-R92 VanDerWaalsContact O-N 3.14Å
89M85.9Confident83.7Confident10 Ų1025.9 Ų25.95%0.04916%0.156CC..Hα-helixtrans-58.6-41.2177.2-73.2-168.7-67.400112.7I75 V81 G85 V86 Y87 T93 A269 I282I75-M89 HydrophobicContact CG2-CB 3.7Å; I75-M89 HydrophobicContact CG2-CG 4.47Å; V81-M89 HydrophobicContact CG1-CG 3.77Å; V81-M89 HydrophobicContact CG1-SD 3.85Å; V81-M89 HydrophobicContact CG2-CG 4.27Å; V81-M89 HydrophobicContact CG2-SD 4.08Å; G85-M89 WeakPolarHBondContact O-CG 3.28Å; G85-M89 PolarHBondContact O-N 2.93Å; V86-M89 HydrophobicContact CB-CE 4.35Å; V86-M89 HydrophobicContact CG2-CE 3.92Å; V86-M89 PolarHBondContact O-N 3.32Å; Y87-M89 VanDerWaalsContact C-N 3.31Å; Y87-M89 PolarHBondContact O-N 3.48Å; M89-T93 WeakPolarHBondContact O-CG2 3.15Å; M89-T93 PolarHBondContact O-OG1 3.03Å; M89-A269 HydrophobicContact CE-CB 3.92Å; M89-I282 HydrophobicContact CE-CD1 4.46Å; M89-I282 HydrophobicContact SD-CD1 4.36Å
90L85.5Confident84.1Confident3 Ų323.3 Ų23.32%0.01613%0.13CC..Hα-helixtrans-76.9-41.8179.1-68.5171.1000113I75 V86 Y87 F88 R92 T93 L94 I102 V416 A419I75-L90 HydrophobicContact CD1-CD2 3.82Å; V86-L90 HydrophobicContact CG1-CD1 3.76Å; V86-L90 HydrophobicContact CG1-CG 4.16Å; V86-L90 WeakPolarHBondContact O-CB 3.32Å; V86-L90 VanDerWaalsContact O-CG 3.25Å; V86-L90 WeakPolarHBondContact O-CG 3.08Å; V86-L90 PolarHBondContact O-N 3.3Å; Y87-L90 PolarHBondContact O-N 3.34Å; F88-L90 VanDerWaalsContact C-N 3.31Å; F88-L90 PolarHBondContact O-N 3.35Å; L90-R92 VanDerWaalsContact C-N 3.31Å; L90-R92 PolarHBondContact O-N 3.38Å; L90-T93 PolarHBondContact O-N 2.84Å; L90-T93 PolarHBondContact O-OG1 2.97Å; L90-L94 HydrophobicContact CD2-CD1 4.37Å; L90-L94 WeakPolarHBondContact O-CB 3.15Å; L90-L94 PolarHBondContact O-N 3.39Å; L90-I102 HydrophobicContact CD1-CB 4.38Å; L90-I102 HydrophobicContact CD1-CG2 3.66Å; L90-V416 HydrophobicContact CD1-CG2 3.82Å; L90-V416 HydrophobicContact CD2-CG1 4.49Å; L90-V416 HydrophobicContact CD2-CG2 4.2Å; L90-A419 HydrophobicContact CD2-CB 4Å
91S86.1Confident84.8Confident0 Ų019.2 Ų19.20%010%0.096CC..Hα-helixtrans-67.6-31.3-177.972.30000112.7Y87 F88 G95 W485Y87-S91 WeakPolarHBondContact O-CB 3.37Å; Y87-S91 PolarHBondContact O-N 2.95Å; Y87-S91 PolarHBondContact O-OG 3.41Å; F88-S91 PolarHBondContact O-N 2.85Å; F88-S91 PolarHBondContact O-OG 3.07Å; S91-G95 CarbonylContact O-C 3.55Å; S91-G95 VanDerWaalsContact O-C 3.3Å; S91-G95 WeakPolarHBondContact O-CA 3.46Å; S91-G95 PolarHBondContact O-N 3.4Å; S91-W485 VanDerWaalsContact O-CD1 3.22Å; S91-W485 PolarHBondContact O-NE1 3.39Å
92R84.9Confident85.2Confident78 Ų7819.5 Ų19.529%0.29410%0.097SC..Hα-helixtrans-75.5-26176.3-60.8-64.1163.6-163.8-16.8113.5F88 L90 D359F88-R92 HydrophobicContact CD1-CG 4.06Å; F88-R92 HydrophobicContact CD2-CG 4.34Å; F88-R92 HydrophobicContact CE1-CG 3.74Å; F88-R92 HydrophobicContact CE2-CG 4.07Å; F88-R92 HydrophobicContact CG-CG 4.34Å; F88-R92 HydrophobicContact CZ-CG 3.73Å; F88-R92 WeakPolarHBondContact O-CB 3.34Å; F88-R92 WeakPolarHBondContact O-CG 3.41Å; F88-R92 PolarHBondContact O-N 2.87Å; F88-R92 VanDerWaalsContact O-N 3.14Å; L90-R92 VanDerWaalsContact C-N 3.31Å; L90-R92 PolarHBondContact O-N 3.38Å; R92-D359 IonicContact CZ-OD1 3.35Å; R92-D359 IonicContact NH2-OD1 3.78Å; R92-D359 PolarHBondContact NH2-OD1 3.43Å; R92-D359 IonicContact NH2-OD2 3.17Å; R92-D359 PolarHBondContact NH2-OD2 2.99Å
93T79.7Confident85.7Confident22 Ų2214.6 Ų14.614%0.1358%0.075CC..Hα-helixtrans-96.7-41.4-177.650.90000112.8I75 M89 L90 L423I75-T93 HydrophobicContact CG2-CG2 4.13Å; M89-T93 WeakPolarHBondContact O-CG2 3.15Å; M89-T93 PolarHBondContact O-OG1 3.03Å; L90-T93 PolarHBondContact O-N 2.84Å; L90-T93 PolarHBondContact O-OG1 2.97Å; T93-L423 HydrophobicContact CG2-CD1 4.38Å
94L83.2Confident86.3Confident11 Ų1114 Ų146%0.0587%0.066CC..Hα-helixtrans-89.5-23.7179-62.8175.7000113.6L90 F98 I102 A419 L423 N487 I488L90-L94 HydrophobicContact CD2-CD1 4.37Å; L90-L94 WeakPolarHBondContact O-CB 3.15Å; L90-L94 PolarHBondContact O-N 3.39Å; L94-F98 HydrophobicContact CB-CB 3.99Å; L94-F98 HydrophobicContact CD1-CB 4.17Å; L94-I102 HydrophobicContact CD1-CD1 3.86Å; L94-A419 HydrophobicContact CD1-CB 3.33Å; L94-A419 HydrophobicContact CD2-CB 3.68Å; L94-A419 HydrophobicContact CG-CB 3.82Å; L94-L423 HydrophobicContact CD2-CG 4.46Å; L94-N487 PolarHBondContact O-OD1 3.5Å; L94-I488 HydrophobicContact CB-CG2 4.29Å; L94-I488 HydrophobicContact CD2-CB 4.47Å; L94-I488 HydrophobicContact CD2-CG2 4.01Å; L94-I488 WeakPolarHBondContact O-CG2 3.3Å; L94-I488 PolarHBondContact O-N 3.47Å
95G84.1Confident87Confident0 Ų014.4 Ų14.40%07%0.068CC..  trans98.6171.3-168.600000112.7S91 E97 G99S91-G95 CarbonylContact O-C 3.55Å; S91-G95 VanDerWaalsContact O-C 3.3Å; S91-G95 WeakPolarHBondContact O-CA 3.46Å; S91-G95 PolarHBondContact O-N 3.4Å; G95-E97 PolarHBondContact O-N 2.85Å; G95-G99 PolarHBondContact O-N 3.01Å
96P84.8Confident87.4Confident3 Ų314.5 Ų14.52%0.0197%0.068CC..Hα-helixtrans-69-32.4-169.129.2-37.3000113.3G100 L361 L481 S483P96-G100 WeakPolarHBondContact O-CA 3.31Å; P96-G100 PolarHBondContact O-N 3.42Å; P96-L361 HydrophobicContact CB-CD1 3.94Å; P96-L361 WeakPolarHBondContact O-CD1 3.45Å; P96-L481 HydrophobicContact CB-CB 4.43Å; P96-L481 HydrophobicContact CB-CD1 3.93Å; P96-L481 HydrophobicContact CG-CB 4.14Å; P96-L481 HydrophobicContact CG-CD1 4.39Å; P96-S483 WeakPolarHBondContact CD-OG 3.3Å; P96-S483 WeakPolarHBondContact CG-OG 3.4Å
97E86.1Confident87.9Confident20 Ų2015.3 Ų15.39%0.0937%0.071CC..Hα-helixtrans-70.9-52.4-174.3-49.785.916800111.5G95 A101 L476 N487G95-E97 PolarHBondContact O-N 2.85Å; E97-A101 WeakPolarHBondContact O-CB 3.28Å; E97-A101 PolarHBondContact O-N 3.11Å; E97-L476 HydrophobicContact CB-CB 4.27Å; E97-L476 WeakPolarHBondContact O-CD1 3.32Å; E97-N487 PolarHBondContact OE1-ND2 3.26Å; E97-N487 PolarHBondContact OE2-ND2 3.24Å
98F85.7Confident88.1Confident97 Ų9719.3 Ų19.343%0.4259%0.089SC..Hα-helixtrans-73.7-50.8179.6-76.1-82.7000111.6L94 G100 A101 I102 V473L94-F98 HydrophobicContact CB-CB 3.99Å; L94-F98 HydrophobicContact CD1-CB 4.17Å; F98-G100 VanDerWaalsContact C-N 3.27Å; F98-G100 PolarHBondContact O-N 3.34Å; F98-A101 PolarHBondContact O-N 3.38Å; F98-I102 WeakPolarHBondContact O-CD1 3.48Å; F98-I102 VanDerWaalsContact O-CG1 3.24Å; F98-I102 WeakPolarHBondContact O-CG1 3.33Å; F98-I102 PolarHBondContact O-N 3.21Å; F98-V473 HydrophobicContact CD1-CG1 4.26Å; F98-V473 HydrophobicContact CD1-CG2 4.24Å; F98-V473 HydrophobicContact CE1-CG1 3.98Å; F98-V473 HydrophobicContact CZ-CG1 4.18Å
99G88.1Confident88.4Confident0 Ų018.6 Ų18.60%09%0.086CC..Hα-helixtrans-63.2-36-179.800000112.5Y87 G95 G103Y87-G99 WeakPolarHBondContact CD2-O 3.29Å; G95-G99 PolarHBondContact O-N 3.01Å; G99-G103 PolarHBondContact O-N 3.45Å
100G89Confident88.8Confident0 Ų018.2 Ų18.20%08%0.084CC..Hα-helixtrans-58.8-50.4172.600000114.8P96 F98 S104P96-G100 WeakPolarHBondContact O-CA 3.31Å; P96-G100 PolarHBondContact O-N 3.42Å; F98-G100 VanDerWaalsContact C-N 3.27Å; F98-G100 PolarHBondContact O-N 3.34Å; G100-S104 WeakPolarHBondContact O-CB 3.49Å; G100-S104 PolarHBondContact O-N 3.05Å; G100-S104 PolarHBondContact O-OG 3.44Å
101A91Very high89.2Confident0 Ų018.1 Ų18.10%08%0.083CC..Hα-helixtrans-65-47179.100000111.7E97 F98 G103 S104 I105 L469 L472 V473 L476E97-A101 WeakPolarHBondContact O-CB 3.28Å; E97-A101 PolarHBondContact O-N 3.11Å; F98-A101 PolarHBondContact O-N 3.38Å; A101-G103 PolarHBondContact O-N 3.41Å; A101-S104 WeakPolarHBondContact O-CB 3.28Å; A101-S104 PolarHBondContact O-N 3.12Å; A101-I105 PolarHBondContact O-N 2.67Å; A101-I105 VanDerWaalsContact O-N 3.14Å; A101-L469 HydrophobicContact CB-CD1 3.91Å; A101-L472 HydrophobicContact CB-CB 3.7Å; A101-V473 HydrophobicContact CB-CB 4.39Å; A101-V473 HydrophobicContact CB-CG2 3.46Å; A101-V473 VanDerWaalsContact CB-CG2 3.46Å; A101-L476 HydrophobicContact CB-CD1 4.18Å
102I91.4Very high89.6Confident12 Ų1218.1 Ų18.16%0.0628%0.083CC..Hα-helixtrans-62.5-45.3179.3-61.3162.8000110.4L90 L94 F98 S104 I105 F106 L469L90-I102 HydrophobicContact CD1-CB 4.38Å; L90-I102 HydrophobicContact CD1-CG2 3.66Å; L94-I102 HydrophobicContact CD1-CD1 3.86Å; F98-I102 WeakPolarHBondContact O-CD1 3.48Å; F98-I102 VanDerWaalsContact O-CG1 3.24Å; F98-I102 WeakPolarHBondContact O-CG1 3.33Å; F98-I102 PolarHBondContact O-N 3.21Å; I102-S104 VanDerWaalsContact C-N 3.27Å; I102-S104 PolarHBondContact O-N 3.39Å; I102-I105 PolarHBondContact O-N 2.95Å; I102-F106 WeakPolarHBondContact O-CB 3.21Å; I102-F106 PolarHBondContact O-N 2.95Å; I102-L469 HydrophobicContact CG1-CD1 4.24Å
103G91.2Very high90Very high1 Ų114.4 Ų14.41%0.017%0.069CC..Hα-helixtrans-61.2-34.3176.700000113.4G99 A101 F106 F107 I352G99-G103 PolarHBondContact O-N 3.45Å; A101-G103 PolarHBondContact O-N 3.41Å; G103-F106 PolarHBondContact O-N 3.09Å; G103-F107 WeakPolarHBondContact O-CB 3.46Å; G103-F107 PolarHBondContact O-N 3.17Å; G103-I352 WeakPolarHBondContact O-CG2 3.28Å
104S92.1Very high90.7Very high17 Ų1713.4 Ų13.412%0.1196%0.063CC..Hα-helixtrans-70-42.1178.3-57.70000112.4G100 A101 I102 F106 F107 F108 F362G100-S104 WeakPolarHBondContact O-CB 3.49Å; G100-S104 PolarHBondContact O-N 3.05Å; G100-S104 PolarHBondContact O-OG 3.44Å; A101-S104 WeakPolarHBondContact O-CB 3.28Å; A101-S104 PolarHBondContact O-N 3.12Å; I102-S104 VanDerWaalsContact C-N 3.27Å; I102-S104 PolarHBondContact O-N 3.39Å; S104-F106 VanDerWaalsContact C-N 3.32Å; S104-F107 WeakPolarHBondContact O-CB 3.25Å; S104-F107 PolarHBondContact O-N 3.33Å; S104-F108 PolarHBondContact O-N 3.48Å; S104-F108 VanDerWaalsContact O-N 3.13Å; S104-F362 VanDerWaalsContact OG-CE2 3.24Å; S104-F362 WeakPolarHBondContact OG-CE2 3.33Å; S104-F362 VanDerWaalsContact OG-CZ 3.25Å; S104-F362 WeakPolarHBondContact OG-CZ 3.42Å
105I92.6Very high91.2Very high10 Ų1012.9 Ų12.95%0.0516%0.061CC..Hα-helixtrans-63.7-43.5173.1-69-169.4000110.3A101 I102 F107 F108 A109 L408 L411 L469 L472A101-I105 PolarHBondContact O-N 2.67Å; A101-I105 VanDerWaalsContact O-N 3.14Å; I102-I105 PolarHBondContact O-N 2.95Å; I105-F107 PolarHBondContact O-N 2.85Å; I105-F108 PolarHBondContact O-N 3.46Å; I105-A109 PolarHBondContact O-N 3.32Å; I105-L408 HydrophobicContact CG2-CD2 4.07Å; I105-L411 HydrophobicContact CD1-CD2 4.33Å; I105-L469 HydrophobicContact CD1-CB 3.48Å; I105-L469 VanDerWaalsContact CD1-CB 3.48Å; I105-L469 HydrophobicContact CD1-CD1 3.71Å; I105-L469 HydrophobicContact CD1-CG 4.07Å; I105-L472 HydrophobicContact CG1-CD1 3.99Å
106F92.3Very high91.5Very high3 Ų314.1 Ų14.11%0.0137%0.067CC..Hα-helixtrans-65.4-39.6-179.9-172.2-121000112.3V86 I102 G103 S104 F108 A109 Q110 M266 N270 I352 F409 A412V86-F106 HydrophobicContact CB-CE1 4.17Å; V86-F106 HydrophobicContact CG2-CE1 4.43Å; I102-F106 WeakPolarHBondContact O-CB 3.21Å; I102-F106 PolarHBondContact O-N 2.95Å; G103-F106 PolarHBondContact O-N 3.09Å; S104-F106 VanDerWaalsContact C-N 3.32Å; F106-F108 VanDerWaalsContact C-N 3.35Å; F106-F108 PolarHBondContact O-N 3.17Å; F106-A109 WeakPolarHBondContact O-CB 3.35Å; F106-A109 PolarHBondContact O-N 3.2Å; F106-Q110 HydrophobicContact CE1-CG 4.42Å; F106-Q110 HydrophobicContact CZ-CG 4.25Å; F106-Q110 WeakPolarHBondContact O-CG 3.44Å; F106-Q110 PolarHBondContact O-N 3.32Å; F106-M266 HydrophobicContact CD2-SD 4.14Å; F106-M266 HydrophobicContact CE1-CB 4.35Å; F106-M266 HydrophobicContact CE1-SD 3.9Å; F106-M266 HydrophobicContact CE2-CB 4.26Å; F106-M266 HydrophobicContact CE2-CG 4.4Å; F106-M266 HydrophobicContact CE2-SD 3.34Å; F106-M266 WeakPolarHBondContact CE2-SD 3.44Å; F106-M266 HydrophobicContact CZ-CB 3.53Å; F106-M266 HydrophobicContact CZ-CG 4.01Å; F106-M266 HydrophobicContact CZ-SD 3.25Å; F106-M266 WeakPolarHBondContact CZ-SD 3.36Å; F106-N270 WeakPolarHBondContact CE1-OD1 3.42Å; F106-I352 HydrophobicContact CD1-CD1 3.35Å; F106-I352 HydrophobicContact CD1-CG1 4.29Å; F106-I352 HydrophobicContact CE1-CD1 3.47Å; F106-I352 VanDerWaalsContact CE1-CD1 3.47Å; F106-I352 HydrophobicContact CE1-CG1 4.46Å; F106-I352 HydrophobicContact CG-CD1 4.38Å; F106-F409 HydrophobicContact CD2-CD1 4.15Å; F106-F409 HydrophobicContact CD2-CE1 4.08Å; F106-F409 AromaticContact CE2-CD1 3.75Å; F106-F409 HydrophobicContact CE2-CD1 3.75Å; F106-F409 AromaticContact CE2-CE1 3.49Å; F106-F409 HydrophobicContact CE2-CE1 3.49Å; F106-F409 VanDerWaalsContact CE2-CE1 3.49Å; F106-F409 HydrophobicContact CZ-CE1 4.35Å; F106-A412 HydrophobicContact CB-CB 4.39Å; F106-A412 HydrophobicContact CD2-CB 3.91Å
107F94Very high91.9Very high21 Ų2114.1 Ų14.19%0.0927%0.067CC..Hα-helixtrans-53.8-51.4168.9164.7-107.5000111.4G103 S104 I105 A109 Q110 V111 A349 I352 L353 A385 L388G103-F107 WeakPolarHBondContact O-CB 3.46Å; G103-F107 PolarHBondContact O-N 3.17Å; S104-F107 WeakPolarHBondContact O-CB 3.25Å; S104-F107 PolarHBondContact O-N 3.33Å; I105-F107 PolarHBondContact O-N 2.85Å; F107-A109 VanDerWaalsContact C-N 3.33Å; F107-A109 PolarHBondContact O-N 2.72Å; F107-Q110 PolarHBondContact O-N 2.88Å; F107-V111 HydrophobicContact CD2-CG2 4.34Å; F107-V111 HydrophobicContact CE1-CG2 4.39Å; F107-V111 HydrophobicContact CE2-CG2 3.86Å; F107-V111 HydrophobicContact CZ-CG2 3.89Å; F107-V111 WeakPolarHBondContact O-CG2 3.39Å; F107-V111 PolarHBondContact O-N 2.76Å; F107-V111 VanDerWaalsContact O-N 3.15Å; F107-A349 HydrophobicContact CD2-CB 3.91Å; F107-A349 WeakPolarHBondContact CD2-O 3.23Å; F107-A349 HydrophobicContact CE2-CB 3.91Å; F107-A349 WeakPolarHBondContact CE2-O 3.43Å; F107-I352 HydrophobicContact CB-CB 4.45Å; F107-I352 HydrophobicContact CB-CG2 3.82Å; F107-L353 HydrophobicContact CD1-CD1 4.46Å; F107-L353 HydrophobicContact CD2-CB 3.89Å; F107-L353 HydrophobicContact CD2-CD1 4.49Å; F107-L353 HydrophobicContact CE1-CD1 4.19Å; F107-L353 HydrophobicContact CE2-CB 3.7Å; F107-L353 HydrophobicContact CE2-CD1 4.23Å; F107-L353 HydrophobicContact CE2-CD2 3.87Å; F107-L353 HydrophobicContact CE2-CG 4.16Å; F107-L353 HydrophobicContact CZ-CB 4.34Å; F107-L353 HydrophobicContact CZ-CD1 4.06Å; F107-L353 HydrophobicContact CZ-CD2 3.79Å; F107-L353 HydrophobicContact CZ-CG 4.3Å; F107-A385 HydrophobicContact CE2-CB 4.33Å; F107-L388 HydrophobicContact CE1-CD1 3.73Å; F107-L388 HydrophobicContact CZ-CD1 3.63Å
108F93.9Very high92.2Very high83 Ų8313.2 Ų13.236%0.3646%0.062SC..Hα-helixtrans-63.5-38.8-180-173.3-115.4000112.3S104 I105 F106 Q110 V111 C112 I392 L408S104-F108 PolarHBondContact O-N 3.48Å; S104-F108 VanDerWaalsContact O-N 3.13Å; I105-F108 PolarHBondContact O-N 3.46Å; F106-F108 VanDerWaalsContact C-N 3.35Å; F106-F108 PolarHBondContact O-N 3.17Å; F108-Q110 PolarHBondContact O-N 3.34Å; F108-V111 PolarHBondContact O-N 2.91Å; F108-C112 PolarHBondContact O-N 3.4Å; F108-C112 PolarHBondContact O-SG 3.46Å; F108-C112 VanDerWaalsContact O-SG 3.38Å; F108-I392 HydrophobicContact CE2-CD1 4.19Å; F108-L408 HydrophobicContact CD1-CD1 3.63Å; F108-L408 HydrophobicContact CD1-CD2 4.43Å; F108-L408 HydrophobicContact CE1-CD1 3.89Å
109A94.1Very high92.4Very high0 Ų09.1 Ų9.10%05%0.046CC..Hα-helixtrans-57.8-45.9174.500000111.9I105 F106 F107 V111 C112 S113 L408 F409I105-A109 PolarHBondContact O-N 3.32Å; F106-A109 WeakPolarHBondContact O-CB 3.35Å; F106-A109 PolarHBondContact O-N 3.2Å; F107-A109 VanDerWaalsContact C-N 3.33Å; F107-A109 PolarHBondContact O-N 2.72Å; A109-V111 VanDerWaalsContact C-N 3.35Å; A109-V111 PolarHBondContact O-N 3.23Å; A109-C112 PolarHBondContact O-N 2.89Å; A109-S113 VanDerWaalsContact O-CB 3.26Å; A109-S113 WeakPolarHBondContact O-CB 3.2Å; A109-S113 PolarHBondContact O-N 3.43Å; A109-L408 HydrophobicContact CB-CB 3.73Å; A109-F409 HydrophobicContact CB-CD1 4.11Å; A109-F409 HydrophobicContact CB-CD2 4.41Å; A109-F409 HydrophobicContact CB-CE1 4Å; A109-F409 HydrophobicContact CB-CE2 4.35Å; A109-F409 HydrophobicContact CB-CG 4.3Å; A109-F409 HydrophobicContact CB-CZ 4.13Å
110Q94.5Very high92.4Very high2 Ų29.5 Ų9.51%0.0095%0.05CC..Hα-helixtrans-62.3-40.3177.3-66.7-72.2105.600111.9F106 F107 F108 S113 A114 N267 N270 N345 A349 I352F106-Q110 HydrophobicContact CE1-CG 4.42Å; F106-Q110 HydrophobicContact CZ-CG 4.25Å; F106-Q110 WeakPolarHBondContact O-CG 3.44Å; F106-Q110 PolarHBondContact O-N 3.32Å; F107-Q110 PolarHBondContact O-N 2.88Å; F108-Q110 PolarHBondContact O-N 3.34Å; Q110-S113 PolarHBondContact O-N 2.91Å; Q110-A114 WeakPolarHBondContact O-CB 3.43Å; Q110-A114 PolarHBondContact O-N 3.38Å; Q110-N267 PolarHBondContact NE2-OD1 3.46Å; Q110-N270 PolarHBondContact NE2-ND2 2.97Å; Q110-N270 VanDerWaalsContact NE2-ND2 3.19Å; Q110-N345 PolarHBondContact NE2-O 2.95Å; Q110-N345 PolarHBondContact NE2-OD1 3.41Å; Q110-N345 PolarHBondContact OE1-OD1 3.43Å; Q110-A349 HydrophobicContact CB-CB 3.81Å; Q110-I352 HydrophobicContact CG-CD1 4.06Å
111V95.4Very high92.5Very high0 Ų09.9 Ų9.90%05%0.052CC..Hα-helixtrans-65.7-46.4177.5-177.60000111F107 F108 A109 S113 A114 A115 A349 L388 C389 I392F107-V111 HydrophobicContact CD2-CG2 4.34Å; F107-V111 HydrophobicContact CE1-CG2 4.39Å; F107-V111 HydrophobicContact CE2-CG2 3.86Å; F107-V111 HydrophobicContact CZ-CG2 3.89Å; F107-V111 WeakPolarHBondContact O-CG2 3.39Å; F107-V111 PolarHBondContact O-N 2.76Å; F107-V111 VanDerWaalsContact O-N 3.15Å; F108-V111 PolarHBondContact O-N 2.91Å; A109-V111 VanDerWaalsContact C-N 3.35Å; A109-V111 PolarHBondContact O-N 3.23Å; V111-S113 VanDerWaalsContact C-N 3.28Å; V111-S113 PolarHBondContact O-N 3.44Å; V111-A114 PolarHBondContact O-N 3.19Å; V111-A115 PolarHBondContact O-N 3.11Å; V111-A115 VanDerWaalsContact O-N 3.08Å; V111-A349 HydrophobicContact CG2-CB 3.82Å; V111-L388 HydrophobicContact CG1-CB 3.79Å; V111-C389 HydrophobicContact CG1-CB 3.87Å; V111-C389 VanDerWaalsContact CG1-N 3.3Å; V111-I392 HydrophobicContact CB-CD1 4.27Å; V111-I392 HydrophobicContact CG1-CD1 3.59Å
112C93.4Very high92.5Very high1 Ų110.3 Ų10.31%0.0076%0.055CC..Hα-helixtrans-61.3-38.8175.5-670000111.8F108 A109 A115 L116 I392 V405F108-C112 PolarHBondContact O-N 3.4Å; F108-C112 PolarHBondContact O-SG 3.46Å; F108-C112 VanDerWaalsContact O-SG 3.38Å; A109-C112 PolarHBondContact O-N 2.89Å; C112-A115 PolarHBondContact O-N 3.04Å; C112-L116 PolarHBondContact O-N 2.85Å; C112-I392 HydrophobicContact CB-CD1 4.46Å; C112-I392 VanDerWaalsContact SG-CD1 3.55Å; C112-V405 HydrophobicContact CB-CG2 3.49Å; C112-V405 VanDerWaalsContact CB-CG2 3.49Å
113S93.5Very high92.3Very high0 Ų012.2 Ų12.20%06%0.064CC..Hα-helixtrans-65.8-42.4177.3-167.50000112.2A109 Q110 V111 A115 L116 Y117A109-S113 VanDerWaalsContact O-CB 3.26Å; A109-S113 WeakPolarHBondContact O-CB 3.2Å; A109-S113 PolarHBondContact O-N 3.43Å; Q110-S113 PolarHBondContact O-N 2.91Å; V111-S113 VanDerWaalsContact C-N 3.28Å; V111-S113 PolarHBondContact O-N 3.44Å; S113-A115 VanDerWaalsContact C-N 3.31Å; S113-A115 PolarHBondContact O-N 2.87Å; S113-L116 WeakPolarHBondContact O-CB 3.28Å; S113-L116 PolarHBondContact O-N 3.13Å; S113-Y117 WeakPolarHBondContact O-CD2 3.3Å; S113-Y117 PolarHBondContact O-N 2.74Å; S113-Y117 VanDerWaalsContact OG-CE2 3.22Å; S113-Y117 WeakPolarHBondContact OG-CE2 3.43Å
114A94.5Very high92.1Very high0 Ų012.3 Ų12.30%06%0.064CC..Hα-helixtrans-59.9-42.4173.300000112.1Q110 V111 L116 Y117 I118 N345 L346Q110-A114 WeakPolarHBondContact O-CB 3.43Å; Q110-A114 PolarHBondContact O-N 3.38Å; V111-A114 PolarHBondContact O-N 3.19Å; A114-L116 VanDerWaalsContact C-N 3.34Å; A114-L116 PolarHBondContact O-N 3.26Å; A114-Y117 PolarHBondContact O-N 3.46Å; A114-I118 VanDerWaalsContact O-CG1 3.27Å; A114-I118 WeakPolarHBondContact O-CG1 3.25Å; A114-I118 PolarHBondContact O-N 2.95Å; A114-N345 HydrophobicContact CB-CB 4.02Å; A114-L346 HydrophobicContact CB-CD1 4.31Å; A114-L346 HydrophobicContact CB-CD2 4.18Å; A114-L346 HydrophobicContact CB-CG 3.66Å
115A93.7Very high92.1Very high1 Ų112.7 Ų12.71%0.0087%0.066CC..Hα-helixtrans-62-41.8175.700000111.8V111 C112 S113 Y117 I118 A119 I392 L393V111-A115 PolarHBondContact O-N 3.11Å; V111-A115 VanDerWaalsContact O-N 3.08Å; C112-A115 PolarHBondContact O-N 3.04Å; S113-A115 VanDerWaalsContact C-N 3.31Å; S113-A115 PolarHBondContact O-N 2.87Å; A115-Y117 PolarHBondContact O-N 2.68Å; A115-I118 PolarHBondContact O-N 3.23Å; A115-A119 WeakPolarHBondContact O-CB 3.36Å; A115-A119 PolarHBondContact O-N 3.26Å; A115-I392 HydrophobicContact CB-CB 4.06Å; A115-I392 HydrophobicContact CB-CG2 3.58Å; A115-L393 HydrophobicContact CB-CD2 4.02Å; A115-L393 HydrophobicContact CB-CG 3.99Å; A115-L393 WeakPolarHBondContact O-CD2 3.34Å
116L91Very high91.8Very high25 Ų2513.2 Ų13.213%0.1317%0.069CC..Hα-helixtrans-58.8-45.6175.7-178.765000112C112 S113 A114 A119 G120 I401 A402C112-L116 PolarHBondContact O-N 2.85Å; S113-L116 WeakPolarHBondContact O-CB 3.28Å; S113-L116 PolarHBondContact O-N 3.13Å; A114-L116 VanDerWaalsContact C-N 3.34Å; A114-L116 PolarHBondContact O-N 3.26Å; L116-A119 PolarHBondContact O-N 3.34Å; L116-G120 PolarHBondContact O-N 2.93Å; L116-I401 HydrophobicContact CB-CG2 4.12Å; L116-I401 HydrophobicContact CD1-CG2 4.37Å; L116-A402 HydrophobicContact CD1-CB 3.92Å; L116-A402 HydrophobicContact CD2-CB 4.23Å
117Y92.3Very high91.5Very high3 Ų315.2 Ų15.21%0.0128%0.079CC..Hα-helixtrans-72.2-36.1180-67.1-53.1000113.5S35 S113 A114 A115 A119 G120 L121 S260 A341 N345S35-Y117 VanDerWaalsContact CB-CE1 3.45Å; S113-Y117 WeakPolarHBondContact O-CD2 3.3Å; S113-Y117 PolarHBondContact O-N 2.74Å; S113-Y117 VanDerWaalsContact OG-CE2 3.22Å; S113-Y117 WeakPolarHBondContact OG-CE2 3.43Å; A114-Y117 PolarHBondContact O-N 3.46Å; A115-Y117 PolarHBondContact O-N 2.68Å; Y117-A119 VanDerWaalsContact C-N 3.34Å; Y117-G120 PolarHBondContact O-N 2.91Å; Y117-L121 PolarHBondContact O-N 3Å; Y117-S260 PolarHBondContact OH-O 3.4Å; Y117-S260 VanDerWaalsContact OH-O 3.13Å; Y117-A341 HydrophobicContact CD1-CB 3.96Å; Y117-A341 HydrophobicContact CD2-CB 3.66Å; Y117-A341 HydrophobicContact CE1-CB 4.16Å; Y117-A341 HydrophobicContact CE2-CB 3.86Å; Y117-A341 HydrophobicContact CG-CB 3.71Å; Y117-N345 WeakPolarHBondContact CE2-ND2 3.35Å
118I93.2Very high91.2Very high1 Ų114.4 Ų14.41%0.0058%0.076CC..Hα-helixtrans-63.7-43.7173.8-69.5168.3000110.1A114 A115 G120 L121 V122 A152 I155 L156 A342 L346 L393A114-I118 VanDerWaalsContact O-CG1 3.27Å; A114-I118 WeakPolarHBondContact O-CG1 3.25Å; A114-I118 PolarHBondContact O-N 2.95Å; A115-I118 PolarHBondContact O-N 3.23Å; I118-G120 VanDerWaalsContact C-N 3.34Å; I118-G120 PolarHBondContact O-N 3.43Å; I118-L121 WeakPolarHBondContact O-CB 2.79Å; I118-L121 PolarHBondContact O-N 2.99Å; I118-L121 VanDerWaalsContact O-N 3.17Å; I118-V122 WeakPolarHBondContact O-CG2 3.29Å; I118-V122 PolarHBondContact O-N 3.08Å; I118-A152 HydrophobicContact CG2-CB 3.93Å; I118-I155 HydrophobicContact CG1-CG2 4.18Å; I118-I155 HydrophobicContact CG2-CB 4.26Å; I118-I155 HydrophobicContact CG2-CG2 3.98Å; I118-L156 HydrophobicContact CD1-CB 4.09Å; I118-L156 HydrophobicContact CD1-CD1 3.7Å; I118-L156 HydrophobicContact CD1-CG 4.44Å; I118-A342 HydrophobicContact CD1-CB 4.46Å; I118-A342 HydrophobicContact CG1-CB 3.77Å; I118-L346 HydrophobicContact CD1-CD1 4.4Å; I118-L393 HydrophobicContact CB-CD2 4.44Å; I118-L393 HydrophobicContact CD1-CD1 4.48Å; I118-L393 HydrophobicContact CG2-CD1 4.08Å; I118-L393 HydrophobicContact CG2-CD2 4.27Å
119A89.6Confident91Very high11 Ų1113 Ų139%0.0917%0.07CC..Hα-helixtrans-63-40.3175.300000112.7A115 L116 Y117 L121 V122 E123 L393 L398A115-A119 WeakPolarHBondContact O-CB 3.36Å; A115-A119 PolarHBondContact O-N 3.26Å; L116-A119 PolarHBondContact O-N 3.34Å; Y117-A119 VanDerWaalsContact C-N 3.34Å; A119-L121 VanDerWaalsContact C-N 3.27Å; A119-L121 PolarHBondContact O-N 3.28Å; A119-V122 PolarHBondContact O-N 3.17Å; A119-E123 PolarHBondContact O-N 3.11Å; A119-L393 HydrophobicContact CB-CD2 4.41Å; A119-L398 HydrophobicContact CB-CD1 4.1Å; A119-L398 HydrophobicContact CB-CD2 3.22Å; A119-L398 HydrophobicContact CB-CG 4.3Å
120G87.6Confident90.5Very high8 Ų813 Ų138%0.0827%0.07CC..Hα-helixtrans-62.3-33.1173.300000113.2L116 Y117 I118 A124L116-G120 PolarHBondContact O-N 2.93Å; Y117-G120 PolarHBondContact O-N 2.91Å; I118-G120 VanDerWaalsContact C-N 3.34Å; I118-G120 PolarHBondContact O-N 3.43Å; G120-A124 PolarHBondContact O-N 3.04Å; G120-A124 VanDerWaalsContact O-N 3.14Å
121L91.9Very high89.7Confident8 Ų815.8 Ų15.84%0.0429%0.088CC..Hα-helixtrans-70-41.1172.2-178.848.5000111.7Y117 I118 A119 E123 A124 V125 I155 F335 T338 L339Y117-L121 PolarHBondContact O-N 3Å; I118-L121 WeakPolarHBondContact O-CB 2.79Å; I118-L121 PolarHBondContact O-N 2.99Å; I118-L121 VanDerWaalsContact O-N 3.17Å; A119-L121 VanDerWaalsContact C-N 3.27Å; A119-L121 PolarHBondContact O-N 3.28Å; L121-E123 VanDerWaalsContact C-N 3.34Å; L121-E123 PolarHBondContact O-N 2.64Å; L121-A124 PolarHBondContact O-N 3.47Å; L121-V125 HydrophobicContact CD1-CG2 4.23Å; L121-V125 VanDerWaalsContact O-CG2 3.3Å; L121-V125 WeakPolarHBondContact O-CG2 3.48Å; L121-V125 PolarHBondContact O-N 3.01Å; L121-I155 HydrophobicContact CB-CD1 4.29Å; L121-I155 HydrophobicContact CD2-CD1 4.05Å; L121-I155 HydrophobicContact CD2-CG1 4.26Å; L121-I155 HydrophobicContact CD2-CG2 3.74Å; L121-I155 HydrophobicContact CG-CD1 3.78Å; L121-I155 HydrophobicContact CG-CG1 4.5Å; L121-F335 HydrophobicContact CD1-CB 4.01Å; L121-F335 HydrophobicContact CD1-CD1 3.2Å; L121-F335 HydrophobicContact CD1-CE1 3.77Å; L121-F335 HydrophobicContact CD1-CG 3.69Å; L121-T338 WeakPolarHBondContact CD1-OG1 3.38Å; L121-L339 HydrophobicContact CD2-CB 4.07Å; L121-L339 HydrophobicContact CD2-CD1 4.47Å
122V91Very high88.7Confident9 Ų918.4 Ų18.46%0.05511%0.114CC..Hα-helixtrans-61-43.3174.5173.10000111.3I118 A119 A124 V125 L126 Y151 A152 I155I118-V122 WeakPolarHBondContact O-CG2 3.29Å; I118-V122 PolarHBondContact O-N 3.08Å; A119-V122 PolarHBondContact O-N 3.17Å; V122-A124 VanDerWaalsContact C-N 3.32Å; V122-A124 PolarHBondContact O-N 3.04Å; V122-V125 PolarHBondContact O-N 3.14Å; V122-L126 HydrophobicContact CG1-CD1 3.87Å; V122-L126 HydrophobicContact CG1-CG 4.31Å; V122-L126 WeakPolarHBondContact O-CG 3.39Å; V122-L126 PolarHBondContact O-N 2.77Å; V122-Y151 HydrophobicContact CG1-CD2 4.43Å; V122-A152 HydrophobicContact CG2-CB 3.9Å; V122-I155 HydrophobicContact CG2-CD1 3.62Å
123E86.1Confident87.8Confident53 Ų5318.9 Ų18.925%0.24812%0.12CC..Hα-helixtrans-55.2-48.4173.3-178.5-178.7-177.700110.5R41 A119 L121 V125 L126 I127R41-E123 IonicContact NH2-OE1 3.12Å; R41-E123 PolarHBondContact NH2-OE1 3.49Å; R41-E123 VanDerWaalsContact NH2-OE1 3.13Å; R41-E123 IonicContact NH2-OE2 3.51Å; R41-E123 PolarHBondContact NH2-OE2 3.28Å; R41-E123 VanDerWaalsContact NH2-OE2 3.12Å; A119-E123 PolarHBondContact O-N 3.11Å; L121-E123 VanDerWaalsContact C-N 3.34Å; L121-E123 PolarHBondContact O-N 2.64Å; E123-V125 VanDerWaalsContact C-N 3.34Å; E123-V125 PolarHBondContact O-N 2.84Å; E123-L126 PolarHBondContact O-N 3.05Å; E123-I127 HydrophobicContact CG-CD1 3.81Å; E123-I127 WeakPolarHBondContact O-CD1 3.48Å; E123-I127 WeakPolarHBondContact O-CG1 3.22Å; E123-I127 PolarHBondContact O-N 3.27Å; E123-I127 VanDerWaalsContact O-N 3.11Å
124A88.3Confident87.1Confident3 Ų322.2 Ų22.23%0.02514%0.137CC..Hα-helixtrans-64.4-35177.900000113.8L40 G120 L121 V122 N128 V334 F335L40-A124 HydrophobicContact CD1-CB 4.38Å; G120-A124 PolarHBondContact O-N 3.04Å; G120-A124 VanDerWaalsContact O-N 3.14Å; L121-A124 PolarHBondContact O-N 3.47Å; V122-A124 VanDerWaalsContact C-N 3.32Å; V122-A124 PolarHBondContact O-N 3.04Å; A124-N128 PolarHBondContact O-N 2.67Å; A124-N128 PolarHBondContact O-ND2 2.97Å; A124-V334 HydrophobicContact CB-CG1 3.45Å; A124-V334 VanDerWaalsContact CB-CG1 3.45Å; A124-F335 HydrophobicContact CB-CD1 4.16Å; A124-F335 HydrophobicContact CB-CE1 3.75Å
125V90.4Very high86.5Confident24 Ų2424.2 Ų24.215%0.14515%0.148CC..Hα-helixtrans-67.7-47.1176.3167.80000110.8L121 V122 E123 I127 N128 F129 L140 F335L121-V125 HydrophobicContact CD1-CG2 4.23Å; L121-V125 VanDerWaalsContact O-CG2 3.3Å; L121-V125 WeakPolarHBondContact O-CG2 3.48Å; L121-V125 PolarHBondContact O-N 3.01Å; V122-V125 PolarHBondContact O-N 3.14Å; E123-V125 VanDerWaalsContact C-N 3.34Å; E123-V125 PolarHBondContact O-N 2.84Å; V125-I127 VanDerWaalsContact C-N 3.34Å; V125-I127 PolarHBondContact O-N 3Å; V125-N128 PolarHBondContact O-N 3.38Å; V125-F129 PolarHBondContact O-N 3.01Å; V125-L140 HydrophobicContact CG1-CD1 3.43Å; V125-L140 VanDerWaalsContact CG1-CD1 3.43Å; V125-F335 HydrophobicContact CB-CZ 4.26Å; V125-F335 HydrophobicContact CG2-CE1 3.7Å; V125-F335 HydrophobicContact CG2-CE2 4.16Å; V125-F335 HydrophobicContact CG2-CZ 3.45Å; V125-F335 VanDerWaalsContact CG2-CZ 3.45Å
126L88.1Confident85.9Confident22 Ų2230.1 Ų30.112%0.11517%0.173CC..Hα-helixtrans-61.3-42.5179.9-74.6168.6000111.8V122 E123 N128 G130 S148 Y151V122-L126 HydrophobicContact CG1-CD1 3.87Å; V122-L126 HydrophobicContact CG1-CG 4.31Å; V122-L126 WeakPolarHBondContact O-CG 3.39Å; V122-L126 PolarHBondContact O-N 2.77Å; E123-L126 PolarHBondContact O-N 3.05Å; L126-N128 PolarHBondContact O-N 3.37Å; L126-G130 WeakPolarHBondContact O-CA 3.39Å; L126-G130 PolarHBondContact O-N 3.31Å; L126-S148 WeakPolarHBondContact CD1-OG 3.01Å; L126-Y151 HydrophobicContact CD2-CD2 4.03Å; L126-Y151 HydrophobicContact CD2-CE2 3.69Å; L126-Y151 HydrophobicContact CG-CD2 4.48Å
127I84.3Confident85.3Confident45 Ų4534.7 Ų34.723%0.23120%0.198CC..Hα-helixtrans-67.8-25.5-178.3-61161.5000112.2E123 V125 G133 I134 I318E123-I127 HydrophobicContact CG-CD1 3.81Å; E123-I127 WeakPolarHBondContact O-CD1 3.48Å; E123-I127 WeakPolarHBondContact O-CG1 3.22Å; E123-I127 PolarHBondContact O-N 3.27Å; E123-I127 VanDerWaalsContact O-N 3.11Å; V125-I127 VanDerWaalsContact C-N 3.34Å; V125-I127 PolarHBondContact O-N 3Å; I127-G133 WeakPolarHBondContact O-CA 3.44Å; I127-I134 HydrophobicContact CG2-CD1 3.82Å; I127-I134 HydrophobicContact CG2-CG1 4.39Å; I127-I134 PolarHBondContact O-N 3.48Å; I127-I134 VanDerWaalsContact O-N 3.14Å; I127-I318 HydrophobicContact CB-CD1 4Å; I127-I318 HydrophobicContact CD1-CD1 3.63Å; I127-I318 HydrophobicContact CG1-CD1 4.28Å; I127-I318 HydrophobicContact CG2-CD1 3.23Å
128N87.6Confident84.5Confident4 Ų436.7 Ų36.72%0.02122%0.22CC..Hα-helixtrans-97.4-32.5-177.3-78.8-72.1000114.9A124 V125 L126 L135 F136 Q321 V331A124-N128 PolarHBondContact O-N 2.67Å; A124-N128 PolarHBondContact O-ND2 2.97Å; V125-N128 PolarHBondContact O-N 3.38Å; L126-N128 PolarHBondContact O-N 3.37Å; N128-L135 HydrophobicContact CB-CD1 4.42Å; N128-L135 PolarHBondContact O-N 3.13Å; N128-F136 PolarHBondContact O-N 3.29Å; N128-Q321 PolarHBondContact OD1-NE2 3.28Å; N128-Q321 PolarHBondContact OD1-OE1 3.48Å; N128-V331 HydrophobicContact CB-CG1 4.38Å; N128-V331 VanDerWaalsContact OD1-CG2 3.31Å; N128-V331 WeakPolarHBondContact OD1-CG2 3.48Å
129F89.9Confident83.9Confident53 Ų5341.1 Ų41.123%0.23225%0.247CC..Hα-helixtrans-126.7-2.4-171.6-59.8-83.2000113.9V125 F136 V139 L140 F335V125-F129 PolarHBondContact O-N 3.01Å; F129-F136 HydrophobicContact CD1-CB 4.25Å; F129-F136 AromaticContact CD1-CD2 3.87Å; F129-F136 HydrophobicContact CD1-CD2 3.87Å; F129-F136 AromaticContact CE1-CD2 3.49Å; F129-F136 HydrophobicContact CE1-CD2 3.49Å; F129-F136 VanDerWaalsContact CE1-CD2 3.49Å; F129-F136 HydrophobicContact CE1-CE2 4.04Å; F129-F136 HydrophobicContact CE1-CG 4.49Å; F129-V139 PolarHBondContact O-N 3.29Å; F129-L140 HydrophobicContact CB-CD1 3.69Å; F129-L140 HydrophobicContact CB-CG 4.05Å; F129-L140 WeakPolarHBondContact O-CB 3.38Å; F129-L140 PolarHBondContact O-N 3.44Å; F129-F335 HydrophobicContact CD2-CZ 4.33Å; F129-F335 AromaticContact CE2-CE2 3.9Å; F129-F335 HydrophobicContact CE2-CE2 3.9Å; F129-F335 AromaticContact CE2-CZ 3.83Å; F129-F335 HydrophobicContact CE2-CZ 3.83Å
130G84.5Confident83.6Confident0 Ų042.2 Ų42.20%025%0.251CS..SBendtrans-74.8-175.1176.500000113.6L126 G132 G133 G138L126-G130 WeakPolarHBondContact O-CA 3.39Å; L126-G130 PolarHBondContact O-N 3.31Å; G130-G132 PolarHBondContact O-N 3.17Å; G130-G132 VanDerWaalsContact O-N 3.17Å; G130-G133 PolarHBondContact O-N 3.49Å; G130-G138 PolarHBondContact O-N 3.28Å; G130-G138 VanDerWaalsContact O-N 3.09Å
131P77.3Confident82.9Confident61 Ų6146 Ų4640%0.39627%0.274SS..THydrogen-bonded Turntrans-60.7113.4171.4-16.230.1000110E143P131-E143 HydrophobicContact CG-CG 4.06Å
132G73.6Confident81.9Confident54 Ų5446 Ų4656%0.55728%0.276SS*.THydrogen-bonded Turntrans84.320.3-171.800000114.9G130 D137G130-G132 PolarHBondContact O-N 3.17Å; G130-G132 VanDerWaalsContact O-N 3.17Å; G132-D137 VanDerWaalsContact CA-OD1 3.28Å; G132-D137 WeakPolarHBondContact CA-OD1 3.33Å; G132-D137 PolarHBondContact N-OD1 3.29Å
133G76.5Confident81Confident12 Ų1251.3 Ų51.312%0.12430%0.3CS..  trans-58.6142.8-179.300000114I127 G130 L135I127-G133 WeakPolarHBondContact O-CA 3.44Å; G130-G133 PolarHBondContact O-N 3.49Å; G133-L135 PolarHBondContact O-N 2.93Å
134I77.6Confident80.8Confident69 Ų6954.1 Ų54.135%0.35432%0.317SS..SBendtrans-65.9-38-176.7-59.8171.2000112.2I127I127-I134 HydrophobicContact CG2-CD1 3.82Å; I127-I134 HydrophobicContact CG2-CG1 4.39Å; I127-I134 PolarHBondContact O-N 3.48Å; I127-I134 VanDerWaalsContact O-N 3.14Å
135L81.2Confident80.6Confident43 Ų4358.8 Ų58.823%0.22534%0.338CS..SBendtrans-93.4-49.6-176.8-70-179.1000112.1N128 G133 Q327 P328 V331N128-L135 HydrophobicContact CB-CD1 4.42Å; N128-L135 PolarHBondContact O-N 3.13Å; G133-L135 PolarHBondContact O-N 2.93Å; L135-Q327 HydrophobicContact CD2-CB 4.15Å; L135-P328 HydrophobicContact CD1-CB 4.34Å; L135-P328 HydrophobicContact CD1-CG 4.34Å; L135-P328 HydrophobicContact CD2-CG 3.81Å; L135-V331 HydrophobicContact CD1-CB 4.25Å; L135-V331 HydrophobicContact CD1-CG1 4.36Å; L135-V331 HydrophobicContact CD1-CG2 3.8Å
136F82.1Confident80.5Confident124 Ų12466.3 Ų66.354%0.54436%0.364SS..SBendtrans-137.2120.6177.6-61-85.3000109.2N128 F129 V139N128-F136 PolarHBondContact O-N 3.29Å; F129-F136 HydrophobicContact CD1-CB 4.25Å; F129-F136 AromaticContact CD1-CD2 3.87Å; F129-F136 HydrophobicContact CD1-CD2 3.87Å; F129-F136 AromaticContact CE1-CD2 3.49Å; F129-F136 HydrophobicContact CE1-CD2 3.49Å; F129-F136 VanDerWaalsContact CE1-CD2 3.49Å; F129-F136 HydrophobicContact CE1-CE2 4.04Å; F129-F136 HydrophobicContact CE1-CG 4.49Å; F136-V139 HydrophobicContact CB-CG2 3.52Å; F136-V139 HydrophobicContact CG-CG2 4.39Å
137D77.5Confident80.5Confident121 Ų12169.7 Ų69.765%0.64738%0.375SS*.THydrogen-bonded Turntrans-77.8126.3-179.7-168.33.7000110.8G132 V139G132-D137 VanDerWaalsContact CA-OD1 3.28Å; G132-D137 WeakPolarHBondContact CA-OD1 3.33Å; G132-D137 PolarHBondContact N-OD1 3.29Å; D137-V139 PolarHBondContact O-N 3.31Å
138G75.5Confident80.7Confident46 Ų4668.9 Ų68.947%0.47437%0.373SS..THydrogen-bonded Turntrans7416.5165.900000116.5G130 L140G130-G138 PolarHBondContact O-N 3.28Å; G130-G138 VanDerWaalsContact O-N 3.09Å; G138-L140 VanDerWaalsContact C-N 3.26Å; G138-L140 PolarHBondContact O-N 3.34Å
139V80.8Confident80.8Confident94 Ų9470.3 Ų70.357%0.5738%0.379SS*.SBendtrans-64.7-34.9175.1177.90000111.1F129 F136 D137F129-V139 PolarHBondContact O-N 3.29Å; F136-V139 HydrophobicContact CB-CG2 3.52Å; F136-V139 HydrophobicContact CG-CG2 4.39Å; D137-V139 PolarHBondContact O-N 3.31Å
140L83Confident80.9Confident34 Ų3471.6 Ų71.618%0.17839%0.388CS..SBendtrans-101.1131.6178-66172.6000111.1V125 F129 G138 G142 Y151V125-L140 HydrophobicContact CG1-CD1 3.43Å; V125-L140 VanDerWaalsContact CG1-CD1 3.43Å; F129-L140 HydrophobicContact CB-CD1 3.69Å; F129-L140 HydrophobicContact CB-CG 4.05Å; F129-L140 WeakPolarHBondContact O-CB 3.38Å; F129-L140 PolarHBondContact O-N 3.44Å; G138-L140 VanDerWaalsContact C-N 3.26Å; G138-L140 PolarHBondContact O-N 3.34Å; L140-G142 VanDerWaalsContact C-N 3.29Å; L140-G142 PolarHBondContact O-N 3.06Å; L140-G142 VanDerWaalsContact O-N 3.12Å; L140-Y151 HydrophobicContact CD1-CE2 4.46Å; L140-Y151 HydrophobicContact CD2-CE1 3.8Å
141P73Confident81.3Confident88 Ų8872.7 Ų72.757%0.57139%0.392SS*.SBendtrans-70.5-7.9-165.325.2-36.2000116.7W147 Y151P141-W147 HydrophobicContact CB-CH2 4.25Å; P141-W147 HydrophobicContact CB-CZ2 4.05Å; P141-W147 HydrophobicContact CG-CD2 4.12Å; P141-W147 HydrophobicContact CG-CE3 3.89Å; P141-W147 HydrophobicContact CG-CH2 3.52Å; P141-W147 HydrophobicContact CG-CZ2 3.74Å; P141-W147 HydrophobicContact CG-CZ3 3.59Å; P141-Y151 WeakPolarHBondContact CD-OH 3.3Å
142G71.4Confident82.1Confident8 Ų870 Ų708%0.08238%0.375CS..  trans174.7160.117700000116.5L140 W147L140-G142 VanDerWaalsContact C-N 3.29Å; L140-G142 PolarHBondContact O-N 3.06Å; L140-G142 VanDerWaalsContact O-N 3.12Å; G142-W147 WeakPolarHBondContact O-CB 3.27Å
143E71.9Confident83.1Confident120 Ų12070.7 Ų70.756%0.56137%0.365SS*.  trans-95.61.5178.2-57.5-172.6142.700113.5P131P131-E143 HydrophobicContact CG-CG 4.06Å
144N83.3Confident83.9Confident112 Ų11274.3 Ų74.360%0.59938%0.384SS*.SBendtrans-61151.9-175.9-62.4-10.7000111.4W146 W147 S148N144-W146 PolarHBondContact O-N 3.1Å; N144-W147 WeakPolarHBondContact O-CA 3.35Å; N144-W147 WeakPolarHBondContact O-CB 3.32Å; N144-W147 PolarHBondContact O-N 2.99Å; N144-S148 PolarHBondContact O-N 3.34Å; N144-S148 PolarHBondContact O-OG 3.41Å
145H82.7Confident84.8Confident100 Ų10072.1 Ų72.146%0.46337%0.373SS..Hα-helixtrans-46.8-42179.2-179.1-89.1000113.8Y149H145-Y149 WeakPolarHBondContact O-CB 3.33Å; H145-Y149 PolarHBondContact O-N 3.15Å
146W87.9Confident85.5Confident182 Ų18270.5 Ų70.569%0.68937%0.365SS*.Hα-helixtrans-70.1-34178.9-70.6108.8000113.9N144 Y149 L150N144-W146 PolarHBondContact O-N 3.1Å; W146-Y149 HydrophobicContact CE3-CD1 4.31Å; W146-Y149 HydrophobicContact CZ3-CD1 4.38Å; W146-Y149 PolarHBondContact O-N 2.96Å; W146-L150 PolarHBondContact O-N 3.3Å
147W89.2Confident86.2Confident94 Ų9467.3 Ų67.336%0.35636%0.361SS..Hα-helixtrans-68.6-46.6174.2-76.8119.9000110.7P141 G142 N144 Y149 L150 Y151P141-W147 HydrophobicContact CB-CH2 4.25Å; P141-W147 HydrophobicContact CB-CZ2 4.05Å; P141-W147 HydrophobicContact CG-CD2 4.12Å; P141-W147 HydrophobicContact CG-CE3 3.89Å; P141-W147 HydrophobicContact CG-CH2 3.52Å; P141-W147 HydrophobicContact CG-CZ2 3.74Å; P141-W147 HydrophobicContact CG-CZ3 3.59Å; G142-W147 WeakPolarHBondContact O-CB 3.27Å; N144-W147 WeakPolarHBondContact O-CA 3.35Å; N144-W147 WeakPolarHBondContact O-CB 3.32Å; N144-W147 PolarHBondContact O-N 2.99Å; W147-Y149 VanDerWaalsContact C-N 3.25Å; W147-Y149 PolarHBondContact O-N 3.18Å; W147-L150 HydrophobicContact CE3-CD1 4.21Å; W147-L150 HydrophobicContact CZ3-CD1 4.04Å; W147-L150 WeakPolarHBondContact O-CB 3.32Å; W147-L150 PolarHBondContact O-N 3.44Å; W147-Y151 HydrophobicContact CB-CE2 3.96Å; W147-Y151 HydrophobicContact CE3-CE1 4.34Å; W147-Y151 WeakPolarHBondContact O-CD2 3.32Å; W147-Y151 VanDerWaalsContact O-CG 3.27Å; W147-Y151 PolarHBondContact O-N 3.1Å
148S87.4Confident86.9Confident28 Ų2865.3 Ų65.320%0.19635%0.35CS..Hα-helixtrans-56.7-40.4173.9-56.90000112.1L126 N144 Y151 A152L126-S148 WeakPolarHBondContact CD1-OG 3.01Å; N144-S148 PolarHBondContact O-N 3.34Å; N144-S148 PolarHBondContact O-OG 3.41Å; S148-Y151 PolarHBondContact O-N 2.91Å; S148-A152 WeakPolarHBondContact O-CB 3.37Å; S148-A152 PolarHBondContact O-N 3.46Å
149Y90.9Very high87.8Confident34 Ų3463.1 Ų63.113%0.13333%0.327CS..Hα-helixtrans-65.9-40.7174.7-175.2-113.2000112.8H145 W146 W147 A152 I153 L390 L393 L394H145-Y149 WeakPolarHBondContact O-CB 3.33Å; H145-Y149 PolarHBondContact O-N 3.15Å; W146-Y149 HydrophobicContact CE3-CD1 4.31Å; W146-Y149 HydrophobicContact CZ3-CD1 4.38Å; W146-Y149 PolarHBondContact O-N 2.96Å; W147-Y149 VanDerWaalsContact C-N 3.25Å; W147-Y149 PolarHBondContact O-N 3.18Å; Y149-A152 WeakPolarHBondContact O-CB 3.45Å; Y149-A152 PolarHBondContact O-N 3.46Å; Y149-I153 HydrophobicContact CD1-CD1 3.7Å; Y149-I153 HydrophobicContact CD1-CG1 4.5Å; Y149-I153 HydrophobicContact CE1-CD1 3.44Å; Y149-I153 VanDerWaalsContact CE1-CD1 3.44Å; Y149-I153 HydrophobicContact CE1-CG1 4.25Å; Y149-I153 HydrophobicContact CG-CD1 4.45Å; Y149-I153 WeakPolarHBondContact O-CG1 3.5Å; Y149-I153 PolarHBondContact O-N 2.89Å; Y149-L390 HydrophobicContact CE2-CD1 3.95Å; Y149-L390 WeakPolarHBondContact OH-CD1 3.48Å; Y149-L390 WeakPolarHBondContact OH-CG 3.21Å; Y149-L393 HydrophobicContact CD2-CB 4.35Å; Y149-L393 HydrophobicContact CE2-CB 4.05Å; Y149-L394 HydrophobicContact CE1-CD1 4.02Å; Y149-L394 HydrophobicContact CE2-CB 3.93Å; Y149-L394 HydrophobicContact CE2-CD1 4.07Å
150L91.7Very high88.4Confident80 Ų8059.6 Ų59.642%0.41931%0.305SS..Hα-helixtrans-62.2-45.2174.9-166.4164.7000111.1W146 W147 A152 I153 V154W146-L150 PolarHBondContact O-N 3.3Å; W147-L150 HydrophobicContact CE3-CD1 4.21Å; W147-L150 HydrophobicContact CZ3-CD1 4.04Å; W147-L150 WeakPolarHBondContact O-CB 3.32Å; W147-L150 PolarHBondContact O-N 3.44Å; L150-A152 VanDerWaalsContact C-N 3.29Å; L150-A152 PolarHBondContact O-N 3.11Å; L150-I153 WeakPolarHBondContact O-CB 3.37Å; L150-I153 PolarHBondContact O-N 3.01Å; L150-I153 VanDerWaalsContact O-N 3.11Å; L150-V154 HydrophobicContact CD2-CG2 3.93Å; L150-V154 WeakPolarHBondContact O-CG2 3.45Å; L150-V154 PolarHBondContact O-N 3.43Å
151Y92.7Very high88.9Confident23 Ų2360.6 Ų60.69%0.0932%0.315CS..Hα-helixtrans-60.4-40.7175-54.8-38000111.6V122 L126 L140 P141 W147 S148 I153 V154 I155V122-Y151 HydrophobicContact CG1-CD2 4.43Å; L126-Y151 HydrophobicContact CD2-CD2 4.03Å; L126-Y151 HydrophobicContact CD2-CE2 3.69Å; L126-Y151 HydrophobicContact CG-CD2 4.48Å; L140-Y151 HydrophobicContact CD1-CE2 4.46Å; L140-Y151 HydrophobicContact CD2-CE1 3.8Å; P141-Y151 WeakPolarHBondContact CD-OH 3.3Å; W147-Y151 HydrophobicContact CB-CE2 3.96Å; W147-Y151 HydrophobicContact CE3-CE1 4.34Å; W147-Y151 WeakPolarHBondContact O-CD2 3.32Å; W147-Y151 VanDerWaalsContact O-CG 3.27Å; W147-Y151 PolarHBondContact O-N 3.1Å; S148-Y151 PolarHBondContact O-N 2.91Å; Y151-I153 VanDerWaalsContact C-N 3.33Å; Y151-I153 PolarHBondContact O-N 3.25Å; Y151-V154 PolarHBondContact O-N 2.94Å; Y151-I155 WeakPolarHBondContact O-CG1 3.08Å; Y151-I155 PolarHBondContact O-N 3.27Å
152A93.4Very high89.7Confident4 Ų458 Ų583%0.03330%0.296CS..Hα-helixtrans-61.1-40.4174.200000112.1I118 V122 S148 Y149 L150 I155 L156 L393I118-A152 HydrophobicContact CG2-CB 3.93Å; V122-A152 HydrophobicContact CG2-CB 3.9Å; S148-A152 WeakPolarHBondContact O-CB 3.37Å; S148-A152 PolarHBondContact O-N 3.46Å; Y149-A152 WeakPolarHBondContact O-CB 3.45Å; Y149-A152 PolarHBondContact O-N 3.46Å; L150-A152 VanDerWaalsContact C-N 3.29Å; L150-A152 PolarHBondContact O-N 3.11Å; A152-I155 PolarHBondContact O-N 2.66Å; A152-L156 WeakPolarHBondContact O-CB 3.46Å; A152-L156 PolarHBondContact O-N 2.91Å; A152-L393 HydrophobicContact CB-CD1 4.08Å; A152-L393 HydrophobicContact CB-CD2 4.28Å
153I94.8Very high90.7Very high68 Ų6858 Ų5835%0.34929%0.294SS..Hα-helixtrans-61.6-45174.8-71.5164.1000111.1Y149 L150 Y151 L156 A157 L390Y149-I153 HydrophobicContact CD1-CD1 3.7Å; Y149-I153 HydrophobicContact CD1-CG1 4.5Å; Y149-I153 HydrophobicContact CE1-CD1 3.44Å; Y149-I153 VanDerWaalsContact CE1-CD1 3.44Å; Y149-I153 HydrophobicContact CE1-CG1 4.25Å; Y149-I153 HydrophobicContact CG-CD1 4.45Å; Y149-I153 WeakPolarHBondContact O-CG1 3.5Å; Y149-I153 PolarHBondContact O-N 2.89Å; L150-I153 WeakPolarHBondContact O-CB 3.37Å; L150-I153 PolarHBondContact O-N 3.01Å; L150-I153 VanDerWaalsContact O-N 3.11Å; Y151-I153 VanDerWaalsContact C-N 3.33Å; Y151-I153 PolarHBondContact O-N 3.25Å; I153-L156 PolarHBondContact O-N 3.49Å; I153-A157 VanDerWaalsContact O-CB 3.28Å; I153-A157 WeakPolarHBondContact O-CB 3.2Å; I153-A157 PolarHBondContact O-N 3.26Å; I153-L390 HydrophobicContact CD1-CD1 4.19Å; I153-L390 HydrophobicContact CG1-CD1 3.53Å
154V95.1Very high91.5Very high88 Ų8855.3 Ų55.353%0.53328%0.283SS..Hα-helixtrans-63.5-45.6-179.8173.20000110.8L150 Y151 A157 L158L150-V154 HydrophobicContact CD2-CG2 3.93Å; L150-V154 WeakPolarHBondContact O-CG2 3.45Å; L150-V154 PolarHBondContact O-N 3.43Å; Y151-V154 PolarHBondContact O-N 2.94Å; V154-A157 PolarHBondContact O-N 3.38Å; V154-L158 PolarHBondContact O-N 2.9Å
155I95.2Very high91.7Very high23 Ų2354.6 Ų54.612%0.11828%0.278CS..Hα-helixtrans-63-45.2176.2-69.6160.9000110.7I118 L121 V122 Y151 A152 A157 L158 C159I118-I155 HydrophobicContact CG1-CG2 4.18Å; I118-I155 HydrophobicContact CG2-CB 4.26Å; I118-I155 HydrophobicContact CG2-CG2 3.98Å; L121-I155 HydrophobicContact CB-CD1 4.29Å; L121-I155 HydrophobicContact CD2-CD1 4.05Å; L121-I155 HydrophobicContact CD2-CG1 4.26Å; L121-I155 HydrophobicContact CD2-CG2 3.74Å; L121-I155 HydrophobicContact CG-CD1 3.78Å; L121-I155 HydrophobicContact CG-CG1 4.5Å; V122-I155 HydrophobicContact CG2-CD1 3.62Å; Y151-I155 WeakPolarHBondContact O-CG1 3.08Å; Y151-I155 PolarHBondContact O-N 3.27Å; A152-I155 PolarHBondContact O-N 2.66Å; I155-A157 VanDerWaalsContact C-N 3.33Å; I155-A157 PolarHBondContact O-N 3.37Å; I155-L158 WeakPolarHBondContact O-CB 3.43Å; I155-L158 PolarHBondContact O-N 3.02Å; I155-C159 PolarHBondContact O-N 2.6Å; I155-C159 PolarHBondContact O-SG 3.26Å
156L96.3Very high91.5Very high10 Ų1050.4 Ų50.45%0.05226%0.262CS..Hα-helixtrans-61-43.6176.9178.960.4000110.9I118 A152 I153 L158 C159 M160 L346 C389 L390 L393I118-L156 HydrophobicContact CD1-CB 4.09Å; I118-L156 HydrophobicContact CD1-CD1 3.7Å; I118-L156 HydrophobicContact CD1-CG 4.44Å; A152-L156 WeakPolarHBondContact O-CB 3.46Å; A152-L156 PolarHBondContact O-N 2.91Å; I153-L156 PolarHBondContact O-N 3.49Å; L156-L158 VanDerWaalsContact C-N 3.31Å; L156-L158 PolarHBondContact O-N 3.14Å; L156-C159 WeakPolarHBondContact O-CB 3.48Å; L156-C159 PolarHBondContact O-N 2.6Å; L156-M160 HydrophobicContact CD1-CG 4.06Å; L156-M160 HydrophobicContact CG-CG 4.24Å; L156-M160 VanDerWaalsContact O-CB 3.29Å; L156-M160 WeakPolarHBondContact O-CB 3.47Å; L156-M160 WeakPolarHBondContact O-CG 3.19Å; L156-M160 PolarHBondContact O-N 3.34Å; L156-L346 HydrophobicContact CD1-CD1 3.87Å; L156-L346 HydrophobicContact CD1-CD2 4.32Å; L156-C389 HydrophobicContact CD1-CB 4.33Å; L156-C389 HydrophobicContact CD2-CB 4.48Å; L156-L390 HydrophobicContact CD2-CB 3.98Å; L156-L390 HydrophobicContact CD2-CD1 4.36Å; L156-L393 HydrophobicContact CD2-CD1 4.3Å
157A95.7Very high90.8Very high56 Ų5643 Ų4346%0.46324%0.238SC..Hα-helixtrans-61-39.4176.500000111.8I153 V154 I155 M160 S161I153-A157 VanDerWaalsContact O-CB 3.28Å; I153-A157 WeakPolarHBondContact O-CB 3.2Å; I153-A157 PolarHBondContact O-N 3.26Å; V154-A157 PolarHBondContact O-N 3.38Å; I155-A157 VanDerWaalsContact C-N 3.33Å; I155-A157 PolarHBondContact O-N 3.37Å; A157-M160 PolarHBondContact O-N 2.94Å; A157-S161 WeakPolarHBondContact O-CB 3.3Å; A157-S161 PolarHBondContact O-N 2.85Å
158L94.2Very high90.3Very high79 Ų7943.5 Ų43.541%0.41424%0.244SC..Hα-helixtrans-61.5-51.4172.5-176.5160.1000110.9V154 I155 L156 M160 S161 I162 L339V154-L158 PolarHBondContact O-N 2.9Å; I155-L158 WeakPolarHBondContact O-CB 3.43Å; I155-L158 PolarHBondContact O-N 3.02Å; L156-L158 VanDerWaalsContact C-N 3.31Å; L156-L158 PolarHBondContact O-N 3.14Å; L158-M160 VanDerWaalsContact C-N 3.28Å; L158-M160 PolarHBondContact O-N 2.87Å; L158-S161 PolarHBondContact O-N 3.37Å; L158-S161 VanDerWaalsContact O-N 3.16Å; L158-S161 PolarHBondContact O-OG 3.21Å; L158-I162 HydrophobicContact CD2-CD1 3.66Å; L158-I162 HydrophobicContact CD2-CG1 4.5Å; L158-I162 PolarHBondContact O-N 3.37Å; L158-L339 HydrophobicContact CD2-CD1 3.82Å
159C94.3Very high90Very high0 Ų046.1 Ų46.10%025%0.254CS..Hα-helixtrans-56-45.6176.5-710000111.3I155 L156 S161 I162 L163 L343 L346I155-C159 PolarHBondContact O-N 2.6Å; I155-C159 PolarHBondContact O-SG 3.26Å; L156-C159 WeakPolarHBondContact O-CB 3.48Å; L156-C159 PolarHBondContact O-N 2.6Å; C159-S161 PolarHBondContact O-N 3.1Å; C159-I162 PolarHBondContact O-N 3.41Å; C159-L163 VanDerWaalsContact O-CG 3.3Å; C159-L163 WeakPolarHBondContact O-CG 3.31Å; C159-L163 PolarHBondContact O-N 3.11Å; C159-L163 VanDerWaalsContact O-N 3.1Å; C159-L343 HydrophobicContact CB-CD2 4.16Å; C159-L343 HydrophobicContact CB-CG 4.34Å; C159-L346 HydrophobicContact CB-CD1 3.83Å
160M93.1Very high89.7Confident20 Ų2044.5 Ų44.510%0.09925%0.248CC..Hα-helixtrans-62.4-40.5178.4-72.7-65.2-66.700112.3L156 A157 L158 I162 L163 L164 V382 L383L156-M160 HydrophobicContact CD1-CG 4.06Å; L156-M160 HydrophobicContact CG-CG 4.24Å; L156-M160 VanDerWaalsContact O-CB 3.29Å; L156-M160 WeakPolarHBondContact O-CB 3.47Å; L156-M160 WeakPolarHBondContact O-CG 3.19Å; L156-M160 PolarHBondContact O-N 3.34Å; A157-M160 PolarHBondContact O-N 2.94Å; L158-M160 VanDerWaalsContact C-N 3.28Å; L158-M160 PolarHBondContact O-N 2.87Å; M160-I162 PolarHBondContact O-N 3.47Å; M160-L163 PolarHBondContact O-N 2.98Å; M160-L164 WeakPolarHBondContact O-CB 3.23Å; M160-L164 VanDerWaalsContact O-CG 3.22Å; M160-L164 WeakPolarHBondContact O-CG 3.48Å; M160-L164 PolarHBondContact O-N 3.41Å; M160-V382 HydrophobicContact CE-CG1 3.52Å; M160-V382 VanDerWaalsContact CE-O 3.29Å; M160-V382 WeakPolarHBondContact CE-O 3.46Å; M160-V382 HydrophobicContact SD-CG1 3.81Å; M160-L383 HydrophobicContact CE-CD2 3.88Å
161S91.9Very high89.3Confident56 Ų5640.9 Ų40.939%0.39223%0.23SC..Hα-helixtrans-60.2-44.7176.876.50000111.9A157 L158 C159 L163 L164 I165A157-S161 WeakPolarHBondContact O-CB 3.3Å; A157-S161 PolarHBondContact O-N 2.85Å; L158-S161 PolarHBondContact O-N 3.37Å; L158-S161 VanDerWaalsContact O-N 3.16Å; L158-S161 PolarHBondContact O-OG 3.21Å; C159-S161 PolarHBondContact O-N 3.1Å; S161-L163 VanDerWaalsContact C-N 3.33Å; S161-L163 PolarHBondContact O-N 3.36Å; S161-L164 PolarHBondContact O-N 2.98Å; S161-I165 WeakPolarHBondContact O-CD1 3.16Å; S161-I165 VanDerWaalsContact O-CG1 3.25Å; S161-I165 WeakPolarHBondContact O-CG1 3.43Å; S161-I165 PolarHBondContact O-N 2.99Å
162I91.7Very high89.1Confident34 Ų3447.2 Ų47.217%0.17425%0.253CS..Hα-helixtrans-62.2-43.1177.5-64.3171.3000110.3L158 C159 M160 I165 L343L158-I162 HydrophobicContact CD2-CD1 3.66Å; L158-I162 HydrophobicContact CD2-CG1 4.5Å; L158-I162 PolarHBondContact O-N 3.37Å; C159-I162 PolarHBondContact O-N 3.41Å; M160-I162 PolarHBondContact O-N 3.47Å; I162-I165 PolarHBondContact O-N 3.47Å; I162-L343 HydrophobicContact CB-CD2 3.99Å; I162-L343 HydrophobicContact CD1-CD1 4.04Å; I162-L343 HydrophobicContact CD1-CD2 4.37Å; I162-L343 HydrophobicContact CG2-CD2 3.95Å
163L90.7Very high88.9Confident6 Ų648.2 Ų48.23%0.03126%0.261CS..Hα-helixtrans-70.6-32.3-179.6-64.8177.8000113.2C159 M160 S161 F170 L343 L346 I347 N377 V382C159-L163 VanDerWaalsContact O-CG 3.3Å; C159-L163 WeakPolarHBondContact O-CG 3.31Å; C159-L163 PolarHBondContact O-N 3.11Å; C159-L163 VanDerWaalsContact O-N 3.1Å; M160-L163 PolarHBondContact O-N 2.98Å; S161-L163 VanDerWaalsContact C-N 3.33Å; S161-L163 PolarHBondContact O-N 3.36Å; L163-F170 HydrophobicContact CD2-CD2 4.29Å; L163-L343 HydrophobicContact CD1-CD2 4.44Å; L163-L343 HydrophobicContact CD2-CD2 3.97Å; L163-L343 HydrophobicContact CG-CD2 3.91Å; L163-L346 HydrophobicContact CD1-CB 3.48Å; L163-L346 VanDerWaalsContact CD1-CB 3.48Å; L163-I347 HydrophobicContact CD2-CB 3.66Å; L163-I347 HydrophobicContact CD2-CD1 4.07Å; L163-I347 HydrophobicContact CD2-CG1 3.99Å; L163-N377 PolarHBondContact O-ND2 3.32Å; L163-V382 HydrophobicContact CB-CG1 3.89Å
164L90.4Very high88.7Confident64 Ų6445 Ų4534%0.33525%0.245SC..Hα-helixtrans-70.7-33.9176.5-73.4171.3000112.2M160 S161 G166 N377 I379 V382 L383M160-L164 WeakPolarHBondContact O-CB 3.23Å; M160-L164 VanDerWaalsContact O-CG 3.22Å; M160-L164 WeakPolarHBondContact O-CG 3.48Å; M160-L164 PolarHBondContact O-N 3.41Å; S161-L164 PolarHBondContact O-N 2.98Å; L164-G166 VanDerWaalsContact C-N 3.33Å; L164-G166 PolarHBondContact O-N 3.03Å; L164-N377 PolarHBondContact O-ND2 3.41Å; L164-I379 HydrophobicContact CD2-CB 4.3Å; L164-I379 HydrophobicContact CD2-CG1 4.2Å; L164-I379 HydrophobicContact CD2-CG2 3.82Å; L164-V382 HydrophobicContact CD2-CB 4.4Å; L164-V382 HydrophobicContact CD2-CG1 4.04Å; L164-V382 HydrophobicContact CG-CG1 4.23Å; L164-L383 HydrophobicContact CD1-CD2 4.41Å
165I87Confident88.5Confident98 Ų9845 Ų4550%0.50324%0.236SC..Hα-helixtrans-65.5-37.4177.3-62.8160.2000111.3S161 I162 M169S161-I165 WeakPolarHBondContact O-CD1 3.16Å; S161-I165 VanDerWaalsContact O-CG1 3.25Å; S161-I165 WeakPolarHBondContact O-CG1 3.43Å; S161-I165 PolarHBondContact O-N 2.99Å; I162-I165 PolarHBondContact O-N 3.47Å; I165-M169 HydrophobicContact CB-CG 4.33Å; I165-M169 HydrophobicContact CG2-CB 4.22Å; I165-M169 HydrophobicContact CG2-CG 3.51Å
166G78.8Confident88.4Confident12 Ų1250.7 Ų50.712%0.12426%0.26CS..  trans135.3173.3169.400000115L164 Q168 M169 F170L164-G166 VanDerWaalsContact C-N 3.33Å; L164-G166 PolarHBondContact O-N 3.03Å; G166-Q168 VanDerWaalsContact C-N 3.34Å; G166-Q168 PolarHBondContact O-N 2.92Å; G166-M169 PolarHBondContact O-N 3Å; G166-F170 PolarHBondContact O-N 3.42Å
167S72.7Confident88.2Confident26 Ų2650.9 Ų50.918%0.18226%0.261CS..Hα-helixtrans-64.7-31.6-173.948.80000115.4M169 F170 A171 E274S167-M169 VanDerWaalsContact C-N 3.3Å; S167-M169 PolarHBondContact O-N 3.1Å; S167-F170 WeakPolarHBondContact O-CB 3.17Å; S167-F170 PolarHBondContact O-N 3.24Å; S167-A171 PolarHBondContact O-N 2.98Å; S167-E274 VanDerWaalsContact CB-OE1 3.29Å; S167-E274 WeakPolarHBondContact CB-OE1 3.47Å; S167-E274 WeakPolarHBondContact CB-OE2 3.33Å; S167-E274 PolarHBondContact OG-OE2 3.44Å
168Q78.3Confident88.2Confident105 Ų10548.5 Ų48.549%0.49124%0.24SC..Hα-helixtrans-68.8-33.2179.7-162.3159.71100111.8G166 R172G166-Q168 VanDerWaalsContact C-N 3.34Å; G166-Q168 PolarHBondContact O-N 2.92Å; Q168-R172 WeakPolarHBondContact O-CG 3.15Å; Q168-R172 PolarHBondContact O-N 3.39Å; Q168-R172 VanDerWaalsContact O-N 3.1Å
169M81.3Confident88.2Confident82 Ų8247.1 Ų47.140%0.40424%0.241SC..Hα-helixtrans-69.7-40.1171.4-74.4-55.2-64.100111.5I165 G166 S167 A171 R172 A173I165-M169 HydrophobicContact CB-CG 4.33Å; I165-M169 HydrophobicContact CG2-CB 4.22Å; I165-M169 HydrophobicContact CG2-CG 3.51Å; G166-M169 PolarHBondContact O-N 3Å; S167-M169 VanDerWaalsContact C-N 3.3Å; S167-M169 PolarHBondContact O-N 3.1Å; M169-A171 PolarHBondContact O-N 3.05Å; M169-R172 PolarHBondContact O-N 2.81Å; M169-A173 WeakPolarHBondContact O-CB 3.44Å; M169-A173 PolarHBondContact O-N 3.46Å
170F84.9Confident88.3Confident1 Ų148.7 Ų48.70%0.00425%0.25CC..Hα-helixtrans-55.1-50.5172.2164.7-99.8000111.9L163 G166 S167 R172 A173 L174 V271 L343 I347L163-F170 HydrophobicContact CD2-CD2 4.29Å; G166-F170 PolarHBondContact O-N 3.42Å; S167-F170 WeakPolarHBondContact O-CB 3.17Å; S167-F170 PolarHBondContact O-N 3.24Å; F170-R172 PolarHBondContact O-N 3.4Å; F170-A173 WeakPolarHBondContact O-CB 3.43Å; F170-A173 PolarHBondContact O-N 3.16Å; F170-L174 HydrophobicContact CD1-CD1 4.37Å; F170-L174 HydrophobicContact CD2-CG 4.37Å; F170-L174 HydrophobicContact CE1-CD1 3.61Å; F170-L174 HydrophobicContact CE1-CG 4.35Å; F170-L174 HydrophobicContact CE2-CD1 3.81Å; F170-L174 HydrophobicContact CE2-CD2 4.15Å; F170-L174 HydrophobicContact CE2-CG 3.96Å; F170-L174 HydrophobicContact CZ-CD1 3.3Å; F170-L174 HydrophobicContact CZ-CD2 4.44Å; F170-L174 HydrophobicContact CZ-CG 3.96Å; F170-L174 WeakPolarHBondContact O-CG 3.42Å; F170-L174 PolarHBondContact O-N 3.46Å; F170-V271 HydrophobicContact CE1-CG2 4.28Å; F170-L343 HydrophobicContact CD2-CB 4.45Å; F170-L343 HydrophobicContact CE2-CB 4.24Å; F170-I347 HydrophobicContact CB-CD1 4.11Å; F170-I347 HydrophobicContact CD1-CD1 3.56Å; F170-I347 HydrophobicContact CD2-CD1 4.06Å; F170-I347 HydrophobicContact CD2-CG2 4.42Å; F170-I347 HydrophobicContact CE1-CD1 3.9Å; F170-I347 HydrophobicContact CE1-CG2 4.19Å; F170-I347 HydrophobicContact CE2-CB 4.43Å; F170-I347 HydrophobicContact CE2-CD1 4.36Å; F170-I347 HydrophobicContact CE2-CG2 3.79Å; F170-I347 HydrophobicContact CG-CD1 3.63Å; F170-I347 HydrophobicContact CZ-CD1 4.28Å; F170-I347 HydrophobicContact CZ-CG2 3.65Å
171A83.3Confident88.3Confident4 Ų447.7 Ų47.73%0.03325%0.245CC..Hα-helixtrans-64.7-40.118000000113.1L19 S167 M169 L174 Y175L19-A171 HydrophobicContact CD2-CB 3.32Å; S167-A171 PolarHBondContact O-N 2.98Å; M169-A171 PolarHBondContact O-N 3.05Å; A171-L174 PolarHBondContact O-N 2.96Å; A171-Y175 WeakPolarHBondContact O-CD2 3.33Å; A171-Y175 PolarHBondContact O-N 3.41Å
172R87.9Confident88.5Confident156 Ų15648.7 Ų48.759%0.58925%0.245SC*.Hα-helixtrans-62.3-42.4174-74.4176.9177.7-179.7-0.8111.9Q168 M169 F170 Y175 F176Q168-R172 WeakPolarHBondContact O-CG 3.15Å; Q168-R172 PolarHBondContact O-N 3.39Å; Q168-R172 VanDerWaalsContact O-N 3.1Å; M169-R172 PolarHBondContact O-N 2.81Å; F170-R172 PolarHBondContact O-N 3.4Å; R172-Y175 PolarHBondContact O-N 3.42Å; R172-F176 PolarHBondContact O-N 3.09Å; R172-F176 VanDerWaalsContact O-N 3.13Å
173A89.1Confident88.6Confident24 Ų2451.8 Ų51.820%0.19826%0.261CS..Hα-helixtrans-61.3-44.2175.400000111.1M169 F170 Y175 F176 I177M169-A173 WeakPolarHBondContact O-CB 3.44Å; M169-A173 PolarHBondContact O-N 3.46Å; F170-A173 WeakPolarHBondContact O-CB 3.43Å; F170-A173 PolarHBondContact O-N 3.16Å; A173-Y175 PolarHBondContact O-N 2.85Å; A173-F176 PolarHBondContact O-N 3.42Å; A173-I177 WeakPolarHBondContact O-CB 3.21Å; A173-I177 WeakPolarHBondContact O-CD1 3.23Å; A173-I177 WeakPolarHBondContact O-CG1 3.17Å; A173-I177 PolarHBondContact O-N 3.22Å
174L90.1Very high88.8Confident1 Ų151.7 Ų51.71%0.00526%0.261CS..Hα-helixtrans-63.1-39.2176.7-70-170.2000113.3C27 L31 F170 A171 I177 L178C27-L174 HydrophobicContact CB-CB 4.46Å; L31-L174 HydrophobicContact CD1-CB 4.2Å; L31-L174 HydrophobicContact CD1-CD2 3.8Å; L31-L174 WeakPolarHBondContact CD1-O 3.38Å; F170-L174 HydrophobicContact CD1-CD1 4.37Å; F170-L174 HydrophobicContact CD2-CG 4.37Å; F170-L174 HydrophobicContact CE1-CD1 3.61Å; F170-L174 HydrophobicContact CE1-CG 4.35Å; F170-L174 HydrophobicContact CE2-CD1 3.81Å; F170-L174 HydrophobicContact CE2-CD2 4.15Å; F170-L174 HydrophobicContact CE2-CG 3.96Å; F170-L174 HydrophobicContact CZ-CD1 3.3Å; F170-L174 HydrophobicContact CZ-CD2 4.44Å; F170-L174 HydrophobicContact CZ-CG 3.96Å; F170-L174 WeakPolarHBondContact O-CG 3.42Å; F170-L174 PolarHBondContact O-N 3.46Å; A171-L174 PolarHBondContact O-N 2.96Å; L174-I177 PolarHBondContact O-N 3Å; L174-L178 VanDerWaalsContact O-CB 3.28Å; L174-L178 WeakPolarHBondContact O-CB 3.48Å; L174-L178 PolarHBondContact O-N 2.99Å
175Y91.6Very high89Confident87 Ų8749.3 Ų49.334%0.34125%0.248SC..Hα-helixtrans-61.5-46.3175.2-75.9-53000112.1F22 G23 A171 R172 A173 L178 A179F22-Y175 HydrophobicContact CD1-CD1 4.16Å; F22-Y175 AromaticContact CD1-CE1 3.4Å; F22-Y175 HydrophobicContact CD1-CE1 3.4Å; F22-Y175 AromaticContact CE1-CD1 3.99Å; F22-Y175 HydrophobicContact CE1-CD1 3.99Å; F22-Y175 AromaticContact CE1-CE1 3.7Å; F22-Y175 HydrophobicContact CE1-CE1 3.7Å; F22-Y175 HydrophobicContact CG-CE1 4.4Å; G23-Y175 WeakPolarHBondContact CA-OH 3.38Å; G23-Y175 PolarHBondContact N-OH 3.46Å; A171-Y175 WeakPolarHBondContact O-CD2 3.33Å; A171-Y175 PolarHBondContact O-N 3.41Å; R172-Y175 PolarHBondContact O-N 3.42Å; A173-Y175 PolarHBondContact O-N 2.85Å; Y175-L178 PolarHBondContact O-N 2.8Å; Y175-A179 PolarHBondContact O-N 3.45Å; Y175-A179 VanDerWaalsContact O-N 3.08Å
176F92.8Very high89.3Confident144 Ų14449.7 Ų49.763%0.63225%0.25SS*.Hα-helixtrans-61.9-48.4177.5176-103.5000111.4R172 A173 L178 A179 V180R172-F176 PolarHBondContact O-N 3.09Å; R172-F176 VanDerWaalsContact O-N 3.13Å; A173-F176 PolarHBondContact O-N 3.42Å; F176-L178 PolarHBondContact O-N 3.33Å; F176-A179 PolarHBondContact O-N 3.15Å; F176-V180 HydrophobicContact CD1-CG2 4.5Å; F176-V180 HydrophobicContact CE1-CG2 4.09Å; F176-V180 HydrophobicContact CE2-CG2 4.23Å; F176-V180 HydrophobicContact CZ-CG2 3.95Å; F176-V180 WeakPolarHBondContact O-CG2 3.32Å; F176-V180 PolarHBondContact O-N 3.49Å
177I93.5Very high90.1Very high14 Ų1450.9 Ų50.97%0.07226%0.256CS..Hα-helixtrans-61.6-43.1178.7-67167.6000110.6L31 A173 L174 A179 V180 V181 A336 L339L31-I177 HydrophobicContact CD1-CB 4.2Å; L31-I177 HydrophobicContact CD1-CG2 3.91Å; L31-I177 HydrophobicContact CD2-CG2 3.73Å; L31-I177 HydrophobicContact CG-CG2 4.47Å; A173-I177 WeakPolarHBondContact O-CB 3.21Å; A173-I177 WeakPolarHBondContact O-CD1 3.23Å; A173-I177 WeakPolarHBondContact O-CG1 3.17Å; A173-I177 PolarHBondContact O-N 3.22Å; L174-I177 PolarHBondContact O-N 3Å; I177-A179 PolarHBondContact O-N 2.87Å; I177-V180 PolarHBondContact O-N 2.74Å; I177-V181 HydrophobicContact CG2-CG2 4.15Å; I177-V181 WeakPolarHBondContact O-CB 3.31Å; I177-V181 VanDerWaalsContact O-CG2 3.24Å; I177-V181 WeakPolarHBondContact O-CG2 3.5Å; I177-V181 PolarHBondContact O-N 2.77Å; I177-A336 HydrophobicContact CG2-CB 3.78Å; I177-A336 VanDerWaalsContact CG2-O 3.29Å; I177-A336 WeakPolarHBondContact CG2-O 3.41Å; I177-L339 HydrophobicContact CD1-CD2 3.8Å
178L94.5Very high91Very high5 Ų549.7 Ų49.73%0.02625%0.248CC..Hα-helixtrans-61.1-44.4177.9-178.467.5000111.6F22 F26 C27 T30 L31 L174 Y175 F176 V180 V181 I182F22-L178 HydrophobicContact CZ-CD2 3.89Å; F26-L178 HydrophobicContact CD1-CD2 4.44Å; F26-L178 HydrophobicContact CE1-CD2 4.23Å; C27-L178 HydrophobicContact CB-CD2 4.11Å; C27-L178 WeakPolarHBondContact SG-CD2 3.33Å; T30-L178 HydrophobicContact CG2-CD1 4.08Å; L31-L178 HydrophobicContact CD1-CB 4.03Å; L31-L178 HydrophobicContact CD2-CB 4.4Å; L31-L178 HydrophobicContact CD2-CD1 4.18Å; L31-L178 HydrophobicContact CG-CB 4.25Å; L31-L178 HydrophobicContact CG-CD1 4.08Å; L174-L178 VanDerWaalsContact O-CB 3.28Å; L174-L178 WeakPolarHBondContact O-CB 3.48Å; L174-L178 PolarHBondContact O-N 2.99Å; Y175-L178 PolarHBondContact O-N 2.8Å; F176-L178 PolarHBondContact O-N 3.33Å; L178-V180 VanDerWaalsContact C-N 3.34Å; L178-V180 PolarHBondContact O-N 3.13Å; L178-V181 PolarHBondContact O-N 2.87Å; L178-I182 HydrophobicContact CD1-CD1 4.02Å; L178-I182 HydrophobicContact CD1-CG1 4.19Å; L178-I182 HydrophobicContact CD2-CD1 4.37Å; L178-I182 HydrophobicContact CG-CD1 3.82Å; L178-I182 HydrophobicContact CG-CG1 4.36Å; L178-I182 WeakPolarHBondContact O-CB 3.46Å; L178-I182 VanDerWaalsContact O-CG1 3.29Å; L178-I182 WeakPolarHBondContact O-CG1 3.29Å; L178-I182 PolarHBondContact O-N 3.25Å
179A94.8Very high91.7Very high51 Ų5147.9 Ų47.942%0.42124%0.238SC..Hα-helixtrans-59.7-45.9177.100000111.4Y175 F176 I177 I182 I183Y175-A179 PolarHBondContact O-N 3.45Å; Y175-A179 VanDerWaalsContact O-N 3.08Å; F176-A179 PolarHBondContact O-N 3.15Å; I177-A179 PolarHBondContact O-N 2.87Å; A179-I182 PolarHBondContact O-N 2.72Å; A179-I183 VanDerWaalsContact O-CG1 3.3Å; A179-I183 WeakPolarHBondContact O-CG1 3.49Å; A179-I183 PolarHBondContact O-N 3.33Å; A179-I183 VanDerWaalsContact O-N 3.1Å
180V95.2Very high92.3Very high32 Ų3245.8 Ų45.819%0.19424%0.235CC..Hα-helixtrans-59.9-48.6175.6172.40000110.9F176 I177 L178 I182 I183 V184 I332F176-V180 HydrophobicContact CD1-CG2 4.5Å; F176-V180 HydrophobicContact CE1-CG2 4.09Å; F176-V180 HydrophobicContact CE2-CG2 4.23Å; F176-V180 HydrophobicContact CZ-CG2 3.95Å; F176-V180 WeakPolarHBondContact O-CG2 3.32Å; F176-V180 PolarHBondContact O-N 3.49Å; I177-V180 PolarHBondContact O-N 2.74Å; L178-V180 VanDerWaalsContact C-N 3.34Å; L178-V180 PolarHBondContact O-N 3.13Å; V180-I182 PolarHBondContact O-N 3.32Å; V180-I183 PolarHBondContact O-N 3.19Å; V180-V184 HydrophobicContact CG1-CG2 4.32Å; V180-V184 VanDerWaalsContact O-CG2 3.25Å; V180-V184 WeakPolarHBondContact O-CG2 3.45Å; V180-V184 PolarHBondContact O-N 2.92Å; V180-I332 HydrophobicContact CG1-CG2 3.63Å
181V94.7Very high92.7Very high0 Ų045.8 Ų45.80%023%0.234CC..Hα-helixtrans-64.1-39.7-178.1170.30000111.8L31 F34 I177 L178 V184 I185 A336 T337L31-V181 HydrophobicContact CD2-CB 4.14Å; L31-V181 HydrophobicContact CD2-CG1 4.39Å; L31-V181 HydrophobicContact CD2-CG2 3.9Å; F34-V181 HydrophobicContact CD2-CG1 3.84Å; F34-V181 HydrophobicContact CE2-CG1 4.25Å; I177-V181 HydrophobicContact CG2-CG2 4.15Å; I177-V181 WeakPolarHBondContact O-CB 3.31Å; I177-V181 VanDerWaalsContact O-CG2 3.24Å; I177-V181 WeakPolarHBondContact O-CG2 3.5Å; I177-V181 PolarHBondContact O-N 2.77Å; L178-V181 PolarHBondContact O-N 2.87Å; V181-V184 PolarHBondContact O-N 2.93Å; V181-I185 HydrophobicContact CG1-CD1 3.73Å; V181-I185 HydrophobicContact CG1-CG1 4.27Å; V181-I185 WeakPolarHBondContact O-CB 3.31Å; V181-I185 VanDerWaalsContact O-CG1 3.27Å; V181-I185 WeakPolarHBondContact O-CG1 3.37Å; V181-I185 PolarHBondContact O-N 3.25Å; V181-A336 HydrophobicContact CG2-CB 3.73Å; V181-T337 HydrophobicContact CB-CG2 4.27Å; V181-T337 HydrophobicContact CG1-CG2 3.65Å; V181-T337 HydrophobicContact CG2-CG2 3.52Å
182I94.5Very high93.1Very high76 Ų7645.6 Ų45.639%0.3923%0.233SC..Hα-helixtrans-62.4-44.9175.4-71170.8000110.7L178 A179 V180 V184 I185 I186L178-I182 HydrophobicContact CD1-CD1 4.02Å; L178-I182 HydrophobicContact CD1-CG1 4.19Å; L178-I182 HydrophobicContact CD2-CD1 4.37Å; L178-I182 HydrophobicContact CG-CD1 3.82Å; L178-I182 HydrophobicContact CG-CG1 4.36Å; L178-I182 WeakPolarHBondContact O-CB 3.46Å; L178-I182 VanDerWaalsContact O-CG1 3.29Å; L178-I182 WeakPolarHBondContact O-CG1 3.29Å; L178-I182 PolarHBondContact O-N 3.25Å; A179-I182 PolarHBondContact O-N 2.72Å; V180-I182 PolarHBondContact O-N 3.32Å; I182-V184 VanDerWaalsContact C-N 3.32Å; I182-V184 PolarHBondContact O-N 2.85Å; I182-I185 PolarHBondContact O-N 3.1Å; I182-I186 HydrophobicContact CG2-CD1 3.8Å; I182-I186 HydrophobicContact CG2-CG1 4.48Å; I182-I186 VanDerWaalsContact O-CG1 3.29Å; I182-I186 WeakPolarHBondContact O-CG1 3.42Å; I182-I186 PolarHBondContact O-N 2.82Å
183I95.2Very high93.3Very high100 Ų10043.7 Ų43.751%0.51323%0.229SC..Hα-helixtrans-59.1-46175.8-67.3164.6000110.1A179 V180 I185 I186 C187A179-I183 VanDerWaalsContact O-CG1 3.3Å; A179-I183 WeakPolarHBondContact O-CG1 3.49Å; A179-I183 PolarHBondContact O-N 3.33Å; A179-I183 VanDerWaalsContact O-N 3.1Å; V180-I183 PolarHBondContact O-N 3.19Å; I183-I185 PolarHBondContact O-N 3.44Å; I183-I186 PolarHBondContact O-N 3.23Å; I183-C187 PolarHBondContact O-N 3.41Å; I183-C187 PolarHBondContact O-SG 3.36Å
184V94.8Very high93.3Very high3 Ų345.1 Ų45.12%0.01823%0.233CC..Hα-helixtrans-61.8-45.2178178.20000111.2F39 V180 V181 I182 I186 C187 V188 I329F39-V184 HydrophobicContact CE1-CG1 3.95Å; F39-V184 HydrophobicContact CZ-CB 4.41Å; F39-V184 HydrophobicContact CZ-CG1 3.73Å; V180-V184 HydrophobicContact CG1-CG2 4.32Å; V180-V184 VanDerWaalsContact O-CG2 3.25Å; V180-V184 WeakPolarHBondContact O-CG2 3.45Å; V180-V184 PolarHBondContact O-N 2.92Å; V181-V184 PolarHBondContact O-N 2.93Å; I182-V184 VanDerWaalsContact C-N 3.32Å; I182-V184 PolarHBondContact O-N 2.85Å; V184-I186 VanDerWaalsContact C-N 3.33Å; V184-I186 PolarHBondContact O-N 2.94Å; V184-C187 PolarHBondContact O-N 3.46Å; V184-V188 HydrophobicContact CG1-CG2 4.2Å; V184-V188 WeakPolarHBondContact O-CG2 3.47Å; V184-V188 PolarHBondContact O-N 3.44Å; V184-I329 WeakPolarHBondContact CG1-O 3.24Å; V184-I329 HydrophobicContact CG2-CG1 3.97Å; V184-I329 WeakPolarHBondContact CG2-O 3.47Å
185I93.9Very high93.1Very high15 Ų1553.1 Ų53.18%0.07727%0.27CS..Hα-helixtrans-60.6-42.8178.1-70.7168.8000110.7F34 I38 F39 V181 I182 I183 V188 F189 I296F34-I185 HydrophobicContact CD1-CD1 4.42Å; F34-I185 HydrophobicContact CD2-CD1 4.13Å; F34-I185 HydrophobicContact CE1-CD1 4.14Å; F34-I185 HydrophobicContact CE2-CD1 3.79Å; F34-I185 HydrophobicContact CG-CD1 4.44Å; F34-I185 HydrophobicContact CZ-CD1 3.83Å; I38-I185 HydrophobicContact CD1-CD1 3.96Å; I38-I185 HydrophobicContact CD1-CG1 4.24Å; F39-I185 HydrophobicContact CE1-CG1 4.44Å; F39-I185 HydrophobicContact CZ-CG1 3.93Å; V181-I185 HydrophobicContact CG1-CD1 3.73Å; V181-I185 HydrophobicContact CG1-CG1 4.27Å; V181-I185 WeakPolarHBondContact O-CB 3.31Å; V181-I185 VanDerWaalsContact O-CG1 3.27Å; V181-I185 WeakPolarHBondContact O-CG1 3.37Å; V181-I185 PolarHBondContact O-N 3.25Å; I182-I185 PolarHBondContact O-N 3.1Å; I183-I185 PolarHBondContact O-N 3.44Å; I185-V188 PolarHBondContact O-N 3.06Å; I185-F189 VanDerWaalsContact O-CB 3.26Å; I185-F189 WeakPolarHBondContact O-CB 3.17Å; I185-F189 PolarHBondContact O-N 2.91Å; I185-I296 HydrophobicContact CD1-CG2 4.4Å; I185-I296 HydrophobicContact CG2-CG2 4.17Å
186I94.5Very high93Very high105 Ų10553.4 Ų53.454%0.53828%0.283SS..Hα-helixtrans-62.6-43.9176.4-67.9166.1000110.7I182 I183 V184 F189 A190I182-I186 HydrophobicContact CG2-CD1 3.8Å; I182-I186 HydrophobicContact CG2-CG1 4.48Å; I182-I186 VanDerWaalsContact O-CG1 3.29Å; I182-I186 WeakPolarHBondContact O-CG1 3.42Å; I182-I186 PolarHBondContact O-N 2.82Å; I183-I186 PolarHBondContact O-N 3.23Å; V184-I186 VanDerWaalsContact C-N 3.33Å; V184-I186 PolarHBondContact O-N 2.94Å; I186-F189 PolarHBondContact O-N 3.02Å; I186-A190 WeakPolarHBondContact O-CB 3.43Å; I186-A190 PolarHBondContact O-N 2.9Å
187C94.2Very high92.8Very high38 Ų3852.5 Ų52.526%0.25728%0.279SS..Hα-helixtrans-64-42.3177.1-69.60000112.6I183 V184 A190 S191 I329I183-C187 PolarHBondContact O-N 3.41Å; I183-C187 PolarHBondContact O-SG 3.36Å; V184-C187 PolarHBondContact O-N 3.46Å; C187-A190 PolarHBondContact O-N 3.44Å; C187-S191 PolarHBondContact O-N 2.94Å; C187-S191 PolarHBondContact O-OG 2.94Å; C187-I329 HydrophobicContact CB-CD1 3.82Å
188V92.7Very high92.5Very high0 Ų056.6 Ų56.60%030%0.3CS..Hα-helixtrans-66.5-42.7175.9177.50000110.5F39 V184 I185 A190 S191 F192 M300 M320 V330F39-V188 HydrophobicContact CE1-CG2 4.13Å; V184-V188 HydrophobicContact CG1-CG2 4.2Å; V184-V188 WeakPolarHBondContact O-CG2 3.47Å; V184-V188 PolarHBondContact O-N 3.44Å; I185-V188 PolarHBondContact O-N 3.06Å; V188-A190 VanDerWaalsContact C-N 3.33Å; V188-A190 PolarHBondContact O-N 3.49Å; V188-S191 WeakPolarHBondContact O-CA 3.21Å; V188-S191 VanDerWaalsContact O-CB 3.25Å; V188-S191 WeakPolarHBondContact O-CB 3.24Å; V188-S191 PolarHBondContact O-N 3.18Å; V188-F192 HydrophobicContact CG1-CE2 4.4Å; V188-F192 HydrophobicContact CG1-CZ 4.44Å; V188-F192 PolarHBondContact O-N 2.96Å; V188-M300 HydrophobicContact CB-CE 4.49Å; V188-M300 HydrophobicContact CG1-CE 3.72Å; V188-M320 HydrophobicContact CG1-CB 4.42Å; V188-M320 HydrophobicContact CG1-CG 4.37Å; V188-M320 HydrophobicContact CG1-SD 4.02Å; V188-V330 HydrophobicContact CG2-CG2 3.63Å
189F93.2Very high92.1Very high67 Ų6756.5 Ų56.529%0.29430%0.3SS..Hα-helixtrans-58.3-45.6175.7178.5-102.8000111.7I185 I186 S191 F192 F193 V299 F303I185-F189 VanDerWaalsContact O-CB 3.26Å; I185-F189 WeakPolarHBondContact O-CB 3.17Å; I185-F189 PolarHBondContact O-N 2.91Å; I186-F189 PolarHBondContact O-N 3.02Å; F189-S191 PolarHBondContact O-N 3.21Å; F189-F192 HydrophobicContact CD2-CD2 4.45Å; F189-F192 WeakPolarHBondContact O-CD2 3.35Å; F189-F192 PolarHBondContact O-N 3.43Å; F189-F193 HydrophobicContact CD1-CE2 4.38Å; F189-F193 AromaticContact CE1-CE2 3.86Å; F189-F193 HydrophobicContact CE1-CE2 3.86Å; F189-F193 HydrophobicContact CE1-CZ 4.43Å; F189-F193 HydrophobicContact CE2-CE2 4.47Å; F189-F193 AromaticContact CZ-CE2 3.91Å; F189-F193 HydrophobicContact CZ-CE2 3.91Å; F189-F193 HydrophobicContact CZ-CZ 4.18Å; F189-V299 HydrophobicContact CD2-CG1 3.72Å; F189-V299 HydrophobicContact CE2-CG1 3.37Å; F189-V299 HydrophobicContact CZ-CG1 4.31Å; F189-F303 HydrophobicContact CE2-CD1 4.27Å; F189-F303 AromaticContact CE2-CD2 3.69Å; F189-F303 HydrophobicContact CE2-CD2 3.69Å; F189-F303 HydrophobicContact CE2-CE1 4.28Å; F189-F303 AromaticContact CE2-CE2 3.68Å; F189-F303 HydrophobicContact CE2-CE2 3.68Å; F189-F303 AromaticContact CE2-CG 3.99Å; F189-F303 HydrophobicContact CE2-CG 3.99Å; F189-F303 AromaticContact CE2-CZ 3.99Å; F189-F303 HydrophobicContact CE2-CZ 3.99Å; F189-F303 HydrophobicContact CZ-CE1 4.42Å; F189-F303 HydrophobicContact CZ-CE2 4.09Å; F189-F303 HydrophobicContact CZ-CZ 4.04Å
190A93.3Very high91.7Very high39 Ų3957 Ų5732%0.32230%0.299SS..Hα-helixtrans-63.1-27.6174.500000112.8I186 C187 V188 F192 F193 F325I186-A190 WeakPolarHBondContact O-CB 3.43Å; I186-A190 PolarHBondContact O-N 2.9Å; C187-A190 PolarHBondContact O-N 3.44Å; V188-A190 VanDerWaalsContact C-N 3.33Å; V188-A190 PolarHBondContact O-N 3.49Å; A190-F192 VanDerWaalsContact C-N 3.26Å; A190-F192 PolarHBondContact O-N 3.48Å; A190-F193 PolarHBondContact O-N 3.17Å; A190-F325 HydrophobicContact CB-CE2 3.82Å; A190-F325 HydrophobicContact CB-CZ 4.44Å
191S92.3Very high91.1Very high0 Ų055.8 Ų55.80%029%0.291CS..Hα-helixtrans-69.4-21.2179.9-54.40000112.8C187 V188 F189 F193 L194 S324 F325C187-S191 PolarHBondContact O-N 2.94Å; C187-S191 PolarHBondContact O-OG 2.94Å; V188-S191 WeakPolarHBondContact O-CA 3.21Å; V188-S191 VanDerWaalsContact O-CB 3.25Å; V188-S191 WeakPolarHBondContact O-CB 3.24Å; V188-S191 PolarHBondContact O-N 3.18Å; F189-S191 PolarHBondContact O-N 3.21Å; S191-F193 PolarHBondContact O-N 2.96Å; S191-L194 WeakPolarHBondContact O-CB 3.46Å; S191-L194 WeakPolarHBondContact O-CG 3.37Å; S191-L194 PolarHBondContact O-N 3.4Å; S191-S324 WeakPolarHBondContact OG-CA 3.47Å; S191-S324 PolarHBondContact OG-OG 3.29Å; S191-F325 VanDerWaalsContact OG-CD2 3.23Å; S191-F325 WeakPolarHBondContact OG-CD2 3.27Å; S191-F325 PolarHBondContact OG-N 3.02Å
192F92.3Very high90.4Very high0 Ų056.7 Ų56.70%030%0.297CS..THydrogen-bonded Turntrans-66.7-19.5174.3-67.1-60000113.6V188 F189 A190 L194 M300 F303 S304 F319 I323V188-F192 HydrophobicContact CG1-CE2 4.4Å; V188-F192 HydrophobicContact CG1-CZ 4.44Å; V188-F192 PolarHBondContact O-N 2.96Å; F189-F192 HydrophobicContact CD2-CD2 4.45Å; F189-F192 WeakPolarHBondContact O-CD2 3.35Å; F189-F192 PolarHBondContact O-N 3.43Å; A190-F192 VanDerWaalsContact C-N 3.26Å; A190-F192 PolarHBondContact O-N 3.48Å; F192-L194 VanDerWaalsContact C-N 3.33Å; F192-M300 HydrophobicContact CE2-CE 3.67Å; F192-M300 HydrophobicContact CE2-SD 3.94Å; F192-M300 HydrophobicContact CZ-CE 3.9Å; F192-F303 HydrophobicContact CB-CB 4.41Å; F192-F303 HydrophobicContact CB-CD1 4.38Å; F192-F303 HydrophobicContact CD2-CB 3.7Å; F192-F303 HydrophobicContact CE2-CB 4.06Å; F192-F303 HydrophobicContact CG-CB 3.99Å; F192-S304 VanDerWaalsContact CZ-OG 3.28Å; F192-S304 WeakPolarHBondContact CZ-OG 3.29Å; F192-F319 HydrophobicContact CE1-CE2 4.42Å; F192-I323 HydrophobicContact CD1-CD1 3.92Å; F192-I323 HydrophobicContact CE1-CD1 3.58Å; F192-I323 HydrophobicContact CZ-CD1 4.29Å
193F91.6Very high89.3Confident116 Ų11661 Ų6151%0.50931%0.308SS..THydrogen-bonded Turntrans-91.46.7179.1-61-88.1000113.3F189 A190 S191 L226 F303F189-F193 HydrophobicContact CD1-CE2 4.38Å; F189-F193 AromaticContact CE1-CE2 3.86Å; F189-F193 HydrophobicContact CE1-CE2 3.86Å; F189-F193 HydrophobicContact CE1-CZ 4.43Å; F189-F193 HydrophobicContact CE2-CE2 4.47Å; F189-F193 AromaticContact CZ-CE2 3.91Å; F189-F193 HydrophobicContact CZ-CE2 3.91Å; F189-F193 HydrophobicContact CZ-CZ 4.18Å; A190-F193 PolarHBondContact O-N 3.17Å; S191-F193 PolarHBondContact O-N 2.96Å; F193-L226 HydrophobicContact CD1-CD1 3.53Å; F193-L226 HydrophobicContact CE1-CD1 3.49Å; F193-L226 VanDerWaalsContact CE1-CD1 3.49Å; F193-L226 HydrophobicContact CZ-CD1 4.43Å; F193-F303 HydrophobicContact CE1-CE1 4.05Å; F193-F303 HydrophobicContact CE2-CE1 4.14Å; F193-F303 HydrophobicContact CZ-CD1 4.21Å; F193-F303 AromaticContact CZ-CE1 3.46Å; F193-F303 HydrophobicContact CZ-CE1 3.46Å; F193-F303 VanDerWaalsContact CZ-CE1 3.46Å; F193-F303 HydrophobicContact CZ-CZ 4.11Å
194L89.2Confident88.1Confident55 Ų5560.1 Ų60.129%0.28831%0.312SS..SBendtrans-69.7159.6175.6-77.6172.7000112.3S191 F192 F223 I323 F325S191-L194 WeakPolarHBondContact O-CB 3.46Å; S191-L194 WeakPolarHBondContact O-CG 3.37Å; S191-L194 PolarHBondContact O-N 3.4Å; F192-L194 VanDerWaalsContact C-N 3.33Å; L194-F223 HydrophobicContact CB-CE1 4.11Å; L194-I323 WeakPolarHBondContact CD1-O 3.37Å; L194-F325 HydrophobicContact CD1-CD1 3.92Å; L194-F325 HydrophobicContact CD1-CE1 3.89Å; L194-F325 HydrophobicContact CD1-CE2 4.49Å; L194-F325 HydrophobicContact CD1-CG 4.26Å; L194-F325 HydrophobicContact CD1-CZ 4.16Å; L194-F325 HydrophobicContact CD2-CD1 3.84Å; L194-F325 HydrophobicContact CD2-CE1 3.22Å; L194-F325 HydrophobicContact CD2-CZ 3.83Å; L194-F325 HydrophobicContact CG-CD1 4.26Å; L194-F325 HydrophobicContact CG-CE1 3.72Å; L194-F325 HydrophobicContact CG-CZ 3.88Å
195Q87Confident87.2Confident168 Ų16860 Ų6079%0.78531%0.311SS*.PPolyproline II helixtrans-65153.9174.2-71-176-1500111.6K197Q195-K197 PolarHBondContact O-N 3.48Å
196P88Confident86.2Confident94 Ų9463.2 Ų63.261%0.6133%0.334SS*.PPolyproline II helixtrans-55136.8178.9-21.430.5000111.8F223 T224P196-F223 CarbonylContact C-O 3.54Å; P196-F223 WeakPolarHBondContact CA-O 3.08Å; P196-F223 WeakPolarHBondContact CB-O 3.46Å; P196-T224 WeakPolarHBondContact CG-O 3.34Å
197K88.9Confident85.4Confident125 Ų12562.4 Ų62.454%0.54333%0.331SS..EExtended strand (participates in β ladder)trans-143.3144.8-176.3-175.4177.9176.1-176.10110.6Q195 F223Q195-K197 PolarHBondContact O-N 3.48Å; K197-F223 HydrophobicContact CB-CD1 4.4Å; K197-F223 PolarHBondContact N-O 3.32Å; K197-F223 VanDerWaalsContact O-CB 3.28Å; K197-F223 WeakPolarHBondContact O-CB 3.4Å; K197-F223 PolarHBondContact O-N 3.2Å
198L87.7Confident84.4Confident100 Ų10061.3 Ų61.352%0.52432%0.323SS..EExtended strand (participates in β ladder)trans-82.8127.5170.2-67.7176.4000110.3F220 E222L198-F220 HydrophobicContact CB-CB 4.12Å; L198-F220 HydrophobicContact CB-CD1 4.24Å; L198-F220 HydrophobicContact CB-CG 4.41Å; L198-E222 HydrophobicContact CD2-CG 3.69Å
199I86.9Confident83.7Confident2 Ų263.1 Ų63.11%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-111.4126.8-173.8-63.7-163.1000110L201 F220 A221 F223 L312 I323I199-L201 PolarHBondContact O-N 2.91Å; I199-F220 CarbonylContact O-C 3.46Å; I199-F220 VanDerWaalsContact O-CA 3.29Å; I199-F220 WeakPolarHBondContact O-CA 3.22Å; I199-A221 PolarHBondContact N-O 2.98Å; I199-A221 PolarHBondContact O-N 3.14Å; I199-F223 HydrophobicContact CD1-CB 3.71Å; I199-F223 HydrophobicContact CD1-CG 4.39Å; I199-F223 HydrophobicContact CG1-CB 4.06Å; I199-L312 HydrophobicContact CB-CD1 3.95Å; I199-L312 HydrophobicContact CD1-CD1 4.03Å; I199-L312 HydrophobicContact CG1-CD1 4.19Å; I199-L312 HydrophobicContact CG2-CD1 4.46Å; I199-I323 HydrophobicContact CD1-CB 4.27Å; I199-I323 HydrophobicContact CD1-CG2 3.25Å
200P84.7Confident82.8Confident62 Ų6263.7 Ų63.740%0.40334%0.336SS..EExtended strand (participates in β ladder)trans-67.7133.817727.9-33.9000110.5F220P200-F220 HydrophobicContact CB-CD1 4.15Å; P200-F220 HydrophobicContact CB-CE1 3.9Å; P200-F220 HydrophobicContact CG-CE1 4.49Å
201L84Confident81.5Confident6 Ų668.5 Ų68.53%0.03137%0.367CS..PPolyproline II helixtrans-78.5141.7173-67.6-179.8000111I199 R203 T208 Y209 I219 A221 Y311 N315 N316I199-L201 PolarHBondContact O-N 2.91Å; L201-R203 PolarHBondContact O-N 3.17Å; L201-T208 HydrophobicContact CD1-CG2 4.15Å; L201-Y209 HydrophobicContact CB-CE2 4.42Å; L201-Y209 PolarHBondContact O-OH 3.11Å; L201-I219 WeakPolarHBondContact CB-O 3.43Å; L201-I219 HydrophobicContact CD1-CB 4.25Å; L201-I219 HydrophobicContact CD1-CG2 3.8Å; L201-I219 PolarHBondContact N-O 3.29Å; L201-A221 HydrophobicContact CD2-CB 3.85Å; L201-A221 HydrophobicContact CG-CB 4.21Å; L201-Y311 HydrophobicContact CD1-CE1 3.81Å; L201-N315 HydrophobicContact CD1-CB 3.99Å; L201-N315 HydrophobicContact CD2-CB 3.75Å; L201-N315 HydrophobicContact CG-CB 4.49Å; L201-N316 HydrophobicContact CD2-CB 4.04Å
202P78.5Confident80.4Confident20 Ų2073 Ų7313%0.1340%0.399CS..PPolyproline II helixtrans-63.9134.1-178.427.6-34.9000111.1S204 N205 Y209 N315 N316P202-S204 PolarHBondContact O-N 3.36Å; P202-N205 WeakPolarHBondContact O-CB 3.41Å; P202-N205 PolarHBondContact O-N 3.01Å; P202-N205 VanDerWaalsContact O-N 3.08Å; P202-Y209 WeakPolarHBondContact O-CE2 3.28Å; P202-N315 WeakPolarHBondContact CD-O 3.47Å; P202-N316 HydrophobicContact CG-CB 4.43Å
203R73.1Confident79.4Confident165 Ų16575 Ų7562%0.62341%0.409SS*.THydrogen-bonded Turntrans-64.1-18.2179.2-69.1-176.9178.9163-0.3113.8L201 N205 Y209L201-R203 PolarHBondContact O-N 3.17Å; R203-N205 PolarHBondContact O-N 2.63Å; R203-Y209 HydrophobicContact CG-CE2 4.5Å
204S70Confident78.4Confident83 Ų8373 Ų7358%0.5841%0.408SS*.THydrogen-bonded Turntrans-67.4-13.5173.453.20000113.5P202 S206P202-S204 PolarHBondContact O-N 3.36Å; S204-S206 PolarHBondContact O-N 2.95Å; S204-S206 VanDerWaalsContact O-N 3.11Å
205N75.1Confident77.3Confident0 Ų077.8 Ų77.80%043%0.434CS..  trans-7993.5176.7-172.6-16.3000111.2P202 R203 L207 T208 Y209 Y243 N315P202-N205 WeakPolarHBondContact O-CB 3.41Å; P202-N205 PolarHBondContact O-N 3.01Å; P202-N205 VanDerWaalsContact O-N 3.08Å; R203-N205 PolarHBondContact O-N 2.63Å; N205-L207 PolarHBondContact O-N 3Å; N205-L207 WeakPolarHBondContact OD1-CB 3.45Å; N205-L207 PolarHBondContact OD1-N 3.4Å; N205-T208 WeakPolarHBondContact CB-OG1 3.39Å; N205-T208 VanDerWaalsContact CG-OG1 3.27Å; N205-T208 PolarHBondContact O-N 3.19Å; N205-T208 PolarHBondContact O-OG1 2.97Å; N205-T208 PolarHBondContact OD1-N 2.77Å; N205-Y209 WeakPolarHBondContact O-CD2 3.5Å; N205-Y209 PolarHBondContact O-N 3.19Å; N205-Y209 VanDerWaalsContact O-N 3.07Å; N205-Y243 HydrophobicContact CB-CD2 3.79Å; N205-Y243 HydrophobicContact CB-CE2 4.28Å; N205-Y243 HydrophobicContact CB-CG 4.07Å; N205-Y243 WeakPolarHBondContact OD1-CB 3.31Å; N205-N315 WeakPolarHBondContact ND2-CA 3.16Å; N205-N315 VanDerWaalsContact ND2-CB 3.34Å; N205-N315 WeakPolarHBondContact ND2-CB 3.33Å; N205-N315 PolarHBondContact ND2-O 3.31Å; N205-N315 VanDerWaalsContact ND2-O 3.17Å; N205-N315 PolarHBondContact ND2-OD1 3.03Å
206S72.3Confident76.6Confident82 Ų8276 Ų7657%0.57343%0.429SS*.THydrogen-bonded Turntrans-67.5-15.8176.757.80000114.3S204S204-S206 PolarHBondContact O-N 2.95Å; S204-S206 VanDerWaalsContact O-N 3.11Å
207L77.4Confident76.1Confident88 Ų8874.9 Ų74.946%0.46142%0.421SS..THydrogen-bonded Turntrans-77.2-36.6177.6-58.9-179.4000111.6N205 I241N205-L207 PolarHBondContact O-N 3Å; N205-L207 WeakPolarHBondContact OD1-CB 3.45Å; N205-L207 PolarHBondContact OD1-N 3.4Å; L207-I241 HydrophobicContact CD1-CB 4.23Å; L207-I241 HydrophobicContact CD1-CG2 4.01Å
208T75Confident75.6Confident16 Ų1671.3 Ų71.310%0.09841%0.409CS..THydrogen-bonded Turntrans-86.8-39.2177.653.70000112.3L201 N205 N210 I213 I219 N315L201-T208 HydrophobicContact CD1-CG2 4.15Å; N205-T208 WeakPolarHBondContact CB-OG1 3.39Å; N205-T208 VanDerWaalsContact CG-OG1 3.27Å; N205-T208 PolarHBondContact O-N 3.19Å; N205-T208 PolarHBondContact O-OG1 2.97Å; N205-T208 PolarHBondContact OD1-N 2.77Å; T208-N210 PolarHBondContact O-N 3.12Å; T208-I213 WeakPolarHBondContact O-CD1 3.3Å; T208-I219 WeakPolarHBondContact O-CD1 3.45Å; T208-N315 HydrophobicContact CG2-CB 4.07Å; T208-N315 VanDerWaalsContact CG2-CG 3.48Å; T208-N315 VanDerWaalsContact CG2-OD1 3.25Å; T208-N315 WeakPolarHBondContact CG2-OD1 3.29Å
209Y77.7Confident75.4Confident38 Ų3868.4 Ų68.415%0.14939%0.394CS..SBendtrans-92.782.4175.9-65.1-78.8000109.5L201 P202 R203 N205 I213 V217 I219L201-Y209 HydrophobicContact CB-CE2 4.42Å; L201-Y209 PolarHBondContact O-OH 3.11Å; P202-Y209 WeakPolarHBondContact O-CE2 3.28Å; R203-Y209 HydrophobicContact CG-CE2 4.5Å; N205-Y209 WeakPolarHBondContact O-CD2 3.5Å; N205-Y209 PolarHBondContact O-N 3.19Å; N205-Y209 VanDerWaalsContact O-N 3.07Å; Y209-I213 HydrophobicContact CD1-CG2 4.07Å; Y209-V217 WeakPolarHBondContact CE1-O 3.5Å; Y209-I219 HydrophobicContact CD1-CD1 4.35Å; Y209-I219 HydrophobicContact CE1-CB 4.5Å; Y209-I219 HydrophobicContact CE1-CD1 4.24Å; Y209-I219 HydrophobicContact CE1-CG1 4.1Å; Y209-I219 PolarHBondContact OH-N 2.92Å; Y209-I219 VanDerWaalsContact OH-N 3.11Å
210N73.9Confident75.3Confident78 Ų7873.3 Ų73.342%0.41742%0.416SS..  trans-73.7164.8172.669.810.6000111.4T208 S212 I213T208-N210 PolarHBondContact O-N 3.12Å; N210-S212 PolarHBondContact ND2-OG 3.17Å; N210-S212 PolarHBondContact O-N 3.13Å; N210-S212 PolarHBondContact OD1-N 2.8Å; N210-S212 PolarHBondContact OD1-OG 3Å; N210-I213 PolarHBondContact O-N 3.25Å; N210-I213 VanDerWaalsContact OD1-CD1 3.31Å; N210-I213 WeakPolarHBondContact OD1-CD1 3.43Å; N210-I213 VanDerWaalsContact OD1-CG1 3.27Å; N210-I213 WeakPolarHBondContact OD1-CG1 3.1Å; N210-I213 PolarHBondContact OD1-N 3.06Å; N210-I213 VanDerWaalsContact OD1-N 3.17Å
211S65.8Low75.4Confident140 Ų14070.5 Ų70.598%0.97940%0.398SS*.THydrogen-bonded Turntrans-59.4-14180-50.60000114.8
212S69.9Low75.6Confident95 Ų9576 Ų7666%0.66442%0.423SS*.THydrogen-bonded Turntrans-85.3-15.4176.859.50000114.2N210N210-S212 PolarHBondContact ND2-OG 3.17Å; N210-S212 PolarHBondContact O-N 3.13Å; N210-S212 PolarHBondContact OD1-N 2.8Å; N210-S212 PolarHBondContact OD1-OG 3Å
213I69.8Low76.2Confident42 Ų4275.2 Ų75.222%0.21542%0.418CS..SBendtrans-85.6124.5177.8-67.8154.1000109T208 Y209 N210 V217 I219T208-I213 WeakPolarHBondContact O-CD1 3.3Å; Y209-I213 HydrophobicContact CD1-CG2 4.07Å; N210-I213 PolarHBondContact O-N 3.25Å; N210-I213 VanDerWaalsContact OD1-CD1 3.31Å; N210-I213 WeakPolarHBondContact OD1-CD1 3.43Å; N210-I213 VanDerWaalsContact OD1-CG1 3.27Å; N210-I213 WeakPolarHBondContact OD1-CG1 3.1Å; N210-I213 PolarHBondContact OD1-N 3.06Å; N210-I213 VanDerWaalsContact OD1-N 3.17Å; I213-V217 HydrophobicContact CG2-CB 4.27Å; I213-I219 HydrophobicContact CD1-CD1 3.83Å
214P70.5Confident77Confident73 Ų7368.6 Ų68.647%0.47440%0.396SS..  trans-69.5144.5178.729.8-35.2000111.2N216 V217P214-N216 VanDerWaalsContact CB-OD1 3.25Å; P214-N216 WeakPolarHBondContact CB-OD1 3.38Å; P214-N216 WeakPolarHBondContact CG-OD1 3.43Å; P214-N216 PolarHBondContact O-N 3.3Å; P214-V217 HydrophobicContact CG-CB 4.45Å; P214-V217 HydrophobicContact CG-CG2 3.83Å; P214-V217 PolarHBondContact O-N 3.07Å
215N67.9Low77.8Confident156 Ų15664.8 Ų64.883%0.83437%0.37SS*.THydrogen-bonded Turntrans-56.2-13.6-175.2-69.9-6000115.2
216N71.5Confident78.5Confident130 Ų13069.1 Ų69.170%0.69539%0.392SS*.THydrogen-bonded Turntrans-92.1-10.1-17958.9-3.9000114.2P214P214-N216 VanDerWaalsContact CB-OD1 3.25Å; P214-N216 WeakPolarHBondContact CB-OD1 3.38Å; P214-N216 WeakPolarHBondContact CG-OD1 3.43Å; P214-N216 PolarHBondContact O-N 3.3Å
217V77.4Confident79.4Confident71 Ų7168.1 Ų68.143%0.4338%0.38SS..PPolyproline II helixtrans-97.3125.2-179.71760000110.3Y209 I213 P214Y209-V217 WeakPolarHBondContact CE1-O 3.5Å; I213-V217 HydrophobicContact CG2-CB 4.27Å; P214-V217 HydrophobicContact CG-CB 4.45Å; P214-V217 HydrophobicContact CG-CG2 3.83Å; P214-V217 PolarHBondContact O-N 3.07Å
218T78.4Confident80Confident50 Ų5066.5 Ų66.531%0.30739%0.385SS..PPolyproline II helixtrans-100.8125173.651.30000110.1F220T218-F220 VanDerWaalsContact O-CD2 3.28Å; T218-F220 WeakPolarHBondContact O-CD2 3.41Å; T218-F220 VanDerWaalsContact O-CE2 3.28Å; T218-F220 WeakPolarHBondContact O-CE2 3.41Å; T218-F220 VanDerWaalsContact OG1-CE2 3.27Å; T218-F220 WeakPolarHBondContact OG1-CE2 3.42Å; T218-F220 WeakPolarHBondContact OG1-CZ 3.35Å
219I82.9Confident80.8Confident40 Ų4071.2 Ų71.221%0.20541%0.409CS..PPolyproline II helixtrans-81.6134174.9-60.9170000108.6L201 T208 Y209 I213L201-I219 WeakPolarHBondContact CB-O 3.43Å; L201-I219 HydrophobicContact CD1-CB 4.25Å; L201-I219 HydrophobicContact CD1-CG2 3.8Å; L201-I219 PolarHBondContact N-O 3.29Å; T208-I219 WeakPolarHBondContact O-CD1 3.45Å; Y209-I219 HydrophobicContact CD1-CD1 4.35Å; Y209-I219 HydrophobicContact CE1-CB 4.5Å; Y209-I219 HydrophobicContact CE1-CD1 4.24Å; Y209-I219 HydrophobicContact CE1-CG1 4.1Å; Y209-I219 PolarHBondContact OH-N 2.92Å; Y209-I219 VanDerWaalsContact OH-N 3.11Å; I213-I219 HydrophobicContact CD1-CD1 3.83Å
220F85.9Confident81.5Confident105 Ų10569.7 Ų69.746%0.46140%0.404SS..EExtended strand (participates in β ladder)trans-107.1146.6177.6-63.6-89.5000111L198 I199 P200 T218L198-F220 HydrophobicContact CB-CB 4.12Å; L198-F220 HydrophobicContact CB-CD1 4.24Å; L198-F220 HydrophobicContact CB-CG 4.41Å; I199-F220 CarbonylContact O-C 3.46Å; I199-F220 VanDerWaalsContact O-CA 3.29Å; I199-F220 WeakPolarHBondContact O-CA 3.22Å; P200-F220 HydrophobicContact CB-CD1 4.15Å; P200-F220 HydrophobicContact CB-CE1 3.9Å; P200-F220 HydrophobicContact CG-CE1 4.49Å; T218-F220 VanDerWaalsContact O-CD2 3.28Å; T218-F220 WeakPolarHBondContact O-CD2 3.41Å; T218-F220 VanDerWaalsContact O-CE2 3.28Å; T218-F220 WeakPolarHBondContact O-CE2 3.41Å; T218-F220 VanDerWaalsContact OG1-CE2 3.27Å; T218-F220 WeakPolarHBondContact OG1-CE2 3.42Å; T218-F220 WeakPolarHBondContact OG1-CZ 3.35Å
221A87.4Confident82.4Confident3 Ų369.3 Ų69.33%0.02540%0.399CS..EExtended strand (participates in β ladder)trans-120.1154.8170.900000110.5I199 L201 Y311 L312I199-A221 PolarHBondContact N-O 2.98Å; I199-A221 PolarHBondContact O-N 3.14Å; L201-A221 HydrophobicContact CD2-CB 3.85Å; L201-A221 HydrophobicContact CG-CB 4.21Å; A221-Y311 HydrophobicContact CB-CD1 3.83Å; A221-Y311 HydrophobicContact CB-CE1 4.24Å; A221-L312 HydrophobicContact CB-CB 3.71Å; A221-L312 HydrophobicContact CB-CD1 4.1Å; A221-L312 HydrophobicContact CB-CG 3.99Å
222E88.3Confident83.7Confident120 Ų12069.8 Ų69.856%0.56138%0.383SS*.EExtended strand (participates in β ladder)trans-87.7121.5-172.2-64.8179.1-17900112.1L198 T224 S309 L312L198-E222 HydrophobicContact CD2-CG 3.69Å; E222-T224 HydrophobicContact CB-CG2 4.25Å; E222-S309 WeakPolarHBondContact O-CB 3.49Å; E222-S309 PolarHBondContact O-N 3.19Å; E222-S309 PolarHBondContact O-OG 2.74Å; E222-L312 WeakPolarHBondContact O-CD1 3.33Å
223F90.9Very high84.7Confident5 Ų570.9 Ų70.92%0.02238%0.378CS..EExtended strand (participates in β ladder)trans-89.4112.3155.6171.5-100.9000107.4L194 P196 K197 I199 S307 N308 L312 I323L194-F223 HydrophobicContact CB-CE1 4.11Å; P196-F223 CarbonylContact C-O 3.54Å; P196-F223 WeakPolarHBondContact CA-O 3.08Å; P196-F223 WeakPolarHBondContact CB-O 3.46Å; K197-F223 HydrophobicContact CB-CD1 4.4Å; K197-F223 PolarHBondContact N-O 3.32Å; K197-F223 VanDerWaalsContact O-CB 3.28Å; K197-F223 WeakPolarHBondContact O-CB 3.4Å; K197-F223 PolarHBondContact O-N 3.2Å; I199-F223 HydrophobicContact CD1-CB 3.71Å; I199-F223 HydrophobicContact CD1-CG 4.39Å; I199-F223 HydrophobicContact CG1-CB 4.06Å; F223-S307 VanDerWaalsContact CD2-O 3.24Å; F223-S307 WeakPolarHBondContact CD2-O 3.26Å; F223-N308 WeakPolarHBondContact CD2-OD1 3.27Å; F223-L312 HydrophobicContact CB-CD1 4.33Å; F223-I323 HydrophobicContact CB-CG2 4.42Å; F223-I323 HydrophobicContact CD2-CB 4.33Å; F223-I323 HydrophobicContact CD2-CG2 3.48Å; F223-I323 VanDerWaalsContact CD2-CG2 3.48Å; F223-I323 HydrophobicContact CE2-CB 4.26Å; F223-I323 HydrophobicContact CE2-CG2 3.85Å; F223-I323 HydrophobicContact CG-CG2 4.02Å
224T88.6Confident85.9Confident26 Ų2668.9 Ų68.916%0.1637%0.368CS..  trans-90.3-5.4-169.550.50000113.3P196 E222 T230 S307P196-T224 WeakPolarHBondContact CG-O 3.34Å; E222-T224 HydrophobicContact CB-CG2 4.25Å; T224-T230 WeakPolarHBondContact OG1-CG2 3.12Å; T224-T230 PolarHBondContact OG1-OG1 3Å; T224-S307 PolarHBondContact N-O 3.33Å; T224-S307 VanDerWaalsContact N-O 3.11Å; T224-S307 PolarHBondContact OG1-O 3.36Å
225G88.1Confident87Confident3 Ų367.4 Ų67.43%0.03136%0.356CS..  trans62.1-173.6-163.600000110.8N227 S307G225-N227 PolarHBondContact O-N 3.41Å; G225-S307 PolarHBondContact N-O 2.71Å; G225-S307 WeakPolarHBondContact O-CA 3.33Å
226L88.9Confident88.3Confident91 Ų9167.8 Ų67.848%0.47635%0.346SS..SBendtrans-63102.8-179.3-69.2174.8000111.5F193 F303 A306 S307F193-L226 HydrophobicContact CD1-CD1 3.53Å; F193-L226 HydrophobicContact CE1-CD1 3.49Å; F193-L226 VanDerWaalsContact CE1-CD1 3.49Å; F193-L226 HydrophobicContact CZ-CD1 4.43Å; L226-F303 HydrophobicContact CD1-CE1 4.45Å; L226-F303 HydrophobicContact CD2-CD1 3.9Å; L226-F303 HydrophobicContact CD2-CE1 4.22Å; L226-A306 HydrophobicContact CD2-CB 3.86Å; L226-S307 WeakPolarHBondContact CD2-OG 3.47Å
227N91.1Very high89.4Confident61 Ų6164.7 Ų64.733%0.32633%0.333SS..  trans-131.8127.3-177-172.9-8.6000111.2G225 N229 T230 F231 A306G225-N227 PolarHBondContact O-N 3.41Å; N227-N229 VanDerWaalsContact C-N 3.28Å; N227-N229 PolarHBondContact O-N 2.83Å; N227-N229 PolarHBondContact OD1-N 3.14Å; N227-T230 PolarHBondContact O-N 3.13Å; N227-F231 PolarHBondContact O-N 3.46Å; N227-A306 PolarHBondContact N-O 2.96Å; N227-A306 VanDerWaalsContact N-O 3.12Å
228G90.7Very high90Very high54 Ų5466.6 Ų66.656%0.55734%0.339SS*.Hα-helixtrans-63.5-30.1178.200000113.8K232G228-K232 PolarHBondContact O-N 3.03Å
229N92.2Very high90.7Very high114 Ų11467.3 Ų67.361%0.6134%0.337SS*.Hα-helixtrans-70.2-47.5177.6-69-15000111N227 F231 K232 E233N227-N229 VanDerWaalsContact C-N 3.28Å; N227-N229 PolarHBondContact O-N 2.83Å; N227-N229 PolarHBondContact OD1-N 3.14Å; N229-F231 VanDerWaalsContact C-N 3.3Å; N229-F231 PolarHBondContact O-N 3.49Å; N229-K232 WeakPolarHBondContact O-CB 3.22Å; N229-K232 PolarHBondContact O-N 2.9Å; N229-K232 VanDerWaalsContact O-N 3.11Å; N229-E233 PolarHBondContact O-N 3.49Å
230T90.8Very high91Very high6 Ų666.9 Ų66.94%0.03734%0.337CS..Hα-helixtrans-59.5-41.9174.7-54.90000111.5T224 N227 K232 E233 N234 N308T224-T230 WeakPolarHBondContact OG1-CG2 3.12Å; T224-T230 PolarHBondContact OG1-OG1 3Å; N227-T230 PolarHBondContact O-N 3.13Å; T230-K232 VanDerWaalsContact C-N 3.33Å; T230-K232 PolarHBondContact O-N 2.9Å; T230-E233 PolarHBondContact O-N 3.34Å; T230-N234 PolarHBondContact O-N 3.27Å; T230-N234 PolarHBondContact O-ND2 3.24Å; T230-N308 WeakPolarHBondContact CG2-O 3.31Å
231F93.5Very high91.1Very high70 Ų7065.9 Ų65.931%0.30734%0.336SS..Hα-helixtrans-56.3-48.1173.7-174.6-102.3000111.4L51 N227 N229 E233 N234 I235 I302 A306L51-F231 HydrophobicContact CD2-CD2 4.23Å; L51-F231 HydrophobicContact CD2-CE2 3.3Å; L51-F231 HydrophobicContact CD2-CZ 3.54Å; N227-F231 PolarHBondContact O-N 3.46Å; N229-F231 VanDerWaalsContact C-N 3.3Å; N229-F231 PolarHBondContact O-N 3.49Å; F231-E233 PolarHBondContact O-N 3.29Å; F231-N234 PolarHBondContact O-N 3.26Å; F231-I235 HydrophobicContact CD1-CD1 4.25Å; F231-I235 HydrophobicContact CD1-CG1 4.45Å; F231-I235 HydrophobicContact CE1-CD1 4.16Å; F231-I235 HydrophobicContact CE1-CG1 4.36Å; F231-I235 WeakPolarHBondContact O-CG1 3.28Å; F231-I235 PolarHBondContact O-N 3.02Å; F231-I302 HydrophobicContact CE2-CG2 4.37Å; F231-A306 HydrophobicContact CB-CB 4.44Å; F231-A306 HydrophobicContact CD2-CB 3.85Å
232K93.2Very high91Very high151 Ų15166 Ų6666%0.65734%0.336SS*.Hα-helixtrans-62.4-39.1-179.6-170178.8178.9-177.70113G228 N229 T230 N234 I235G228-K232 PolarHBondContact O-N 3.03Å; N229-K232 WeakPolarHBondContact O-CB 3.22Å; N229-K232 PolarHBondContact O-N 2.9Å; N229-K232 VanDerWaalsContact O-N 3.11Å; T230-K232 VanDerWaalsContact C-N 3.33Å; T230-K232 PolarHBondContact O-N 2.9Å; K232-N234 VanDerWaalsContact C-N 3.27Å; K232-N234 PolarHBondContact O-N 3.13Å; K232-I235 PolarHBondContact O-N 3.11Å
233E91.7Very high90.7Very high117 Ų11761.3 Ų61.355%0.54731%0.313SS..Hα-helixtrans-64.9-30.8177.1-72.1173.5-175.900113.1N229 T230 F231 R310N229-E233 PolarHBondContact O-N 3.49Å; T230-E233 PolarHBondContact O-N 3.34Å; F231-E233 PolarHBondContact O-N 3.29Å; E233-R310 PolarHBondContact O-NH1 3.06Å; E233-R310 VanDerWaalsContact O-NH1 3.1Å
234N94.5Very high90.2Very high0 Ų063.9 Ų63.90%033%0.329CS..THydrogen-bonded Turntrans-89.4-2-178.8-73.3-37.9000114G50 L51 T230 F231 K232 A305 N308 R310G50-N234 CarbonylContact C-O 3.54Å; G50-N234 VanDerWaalsContact CA-O 3.31Å; G50-N234 WeakPolarHBondContact CA-O 3.49Å; L51-N234 PolarHBondContact N-O 3.23Å; T230-N234 PolarHBondContact O-N 3.27Å; T230-N234 PolarHBondContact O-ND2 3.24Å; F231-N234 PolarHBondContact O-N 3.26Å; K232-N234 VanDerWaalsContact C-N 3.27Å; K232-N234 PolarHBondContact O-N 3.13Å; N234-A305 HydrophobicContact CB-CB 4.07Å; N234-A305 PolarHBondContact ND2-O 3.16Å; N234-N308 PolarHBondContact ND2-O 3.3Å; N234-R310 VanDerWaalsContact OD1-CA 3.32Å; N234-R310 WeakPolarHBondContact OD1-CA 3.4Å; N234-R310 WeakPolarHBondContact OD1-CB 3.23Å
235I94Very high89.8Confident43 Ų4365 Ų6522%0.22134%0.336CS..SBendtrans-66-47.5-176.3-70.5175.9000112.2L51 L52 F231 K232L51-I235 PolarHBondContact N-O 3.28Å; L52-I235 HydrophobicContact CB-CG2 4.5Å; L52-I235 PolarHBondContact N-O 3.45Å; F231-I235 HydrophobicContact CD1-CD1 4.25Å; F231-I235 HydrophobicContact CD1-CG1 4.45Å; F231-I235 HydrophobicContact CE1-CD1 4.16Å; F231-I235 HydrophobicContact CE1-CG1 4.36Å; F231-I235 WeakPolarHBondContact O-CG1 3.28Å; F231-I235 PolarHBondContact O-N 3.02Å; K232-I235 PolarHBondContact O-N 3.11Å
236Y94.8Very high89.5Confident163 Ų16367.4 Ų67.464%0.63936%0.361SS*.SBendtrans-96.1153.1-169.4-66.4-73.8000112.8R310Y236-R310 VanDerWaalsContact O-CZ 3.27Å; Y236-R310 PolarHBondContact O-NH1 2.57Å; Y236-R310 PolarHBondContact O-NH2 3.43Å
237P93.4Very high89.3Confident65 Ų6567.9 Ų67.942%0.42236%0.363SS..  trans-68.8149.2178.624.5-32.4000113.9A49 E53 Y239A49-P237 VanDerWaalsContact O-CA 3.3Å; A49-P237 WeakPolarHBondContact O-CA 3.44Å; A49-P237 VanDerWaalsContact O-CB 3.29Å; A49-P237 WeakPolarHBondContact O-CB 3.44Å; E53-P237 VanDerWaalsContact OE2-CB 3.23Å; E53-P237 WeakPolarHBondContact OE2-CB 3.49Å; P237-Y239 HydrophobicContact CB-CD2 4.41Å; P237-Y239 HydrophobicContact CB-CE2 3.93Å
238M90.9Very high89.1Confident111 Ų11170.6 Ų70.655%0.54738%0.377SS..  trans-154.388.6172.6-172.3-177.917100107.6H48 S240H48-M238 CarbonylContact O-C 3.39Å; H48-M238 PolarHBondContact O-N 3.2Å; M238-S240 PolarHBondContact O-N 3.48Å; M238-S240 VanDerWaalsContact O-N 3.16Å
239Y91.9Very high89.1Confident66 Ų6668.2 Ų68.226%0.25935%0.352SS..  trans-73.4106.5178.7-67.4-77.9000110.4H48 E53 P237 T249 F251 V254H48-Y239 HydrophobicContact CB-CD1 4.11Å; H48-Y239 HydrophobicContact CB-CE1 4.4Å; E53-Y239 PolarHBondContact OE1-OH 2.76Å; E53-Y239 VanDerWaalsContact OE1-OH 3.07Å; E53-Y239 PolarHBondContact OE2-OH 3.13Å; P237-Y239 HydrophobicContact CB-CD2 4.41Å; P237-Y239 HydrophobicContact CB-CE2 3.93Å; Y239-T249 WeakPolarHBondContact CB-O 3.34Å; Y239-F251 WeakPolarHBondContact OH-CA 3.09Å; Y239-V254 HydrophobicContact CE1-CG2 3.95Å
240S89.2Confident89Confident31 Ų3165 Ų6522%0.21734%0.338CS..  trans-105.3179170.770.80000112.3H48 M238 T249 L314H48-S240 PolarHBondContact CE1-O 3.41Å; H48-S240 VanDerWaalsContact CE1-O 3.28Å; H48-S240 PolarHBondContact CE1-OG 3.35Å; H48-S240 PolarHBondContact ND1-N 3.38Å; H48-S240 PolarHBondContact ND1-O 3.03Å; M238-S240 PolarHBondContact O-N 3.48Å; M238-S240 VanDerWaalsContact O-N 3.16Å; S240-T249 PolarHBondContact O-N 2.96Å; S240-T249 VanDerWaalsContact O-N 3.17Å; S240-T249 PolarHBondContact O-OG1 2.8Å; S240-L314 WeakPolarHBondContact OG-CD2 3.37Å
241I89.1Confident89Confident84 Ų8467.8 Ų67.843%0.43135%0.35SS..BIsolated β-bridgetrans-69.3132.4171.1-58.3167.7000108.3L207 L248L207-I241 HydrophobicContact CD1-CB 4.23Å; L207-I241 HydrophobicContact CD1-CG2 4.01Å; I241-L248 HydrophobicContact CG1-CD1 4.39Å
242D85.4Confident88.7Confident5 Ų566.4 Ų66.43%0.02735%0.347CS..  trans-81.7128172.2166.729.2000109.8F44 T244 T245 G246 L247 T249F44-D242 HydrophobicContact CE2-CB 3.99Å; D242-T244 VanDerWaalsContact CG-OG1 3.27Å; D242-T244 PolarHBondContact O-N 3.45Å; D242-T244 PolarHBondContact OD1-N 3.04Å; D242-T244 PolarHBondContact OD1-OG1 3.25Å; D242-T244 PolarHBondContact OD2-OG1 3.4Å; D242-T245 WeakPolarHBondContact OD2-CB 3.34Å; D242-T245 WeakPolarHBondContact OD2-CG2 3.19Å; D242-T245 PolarHBondContact OD2-N 2.95Å; D242-T245 VanDerWaalsContact OD2-N 3.16Å; D242-T245 PolarHBondContact OD2-OG1 3.22Å; D242-G246 VanDerWaalsContact O-CA 3.25Å; D242-G246 WeakPolarHBondContact O-CA 3.33Å; D242-G246 PolarHBondContact O-N 3.39Å; D242-L247 PolarHBondContact N-O 3.31Å; D242-T249 HydrophobicContact CB-CG2 3.79Å
243Y81.9Confident88.5Confident21 Ų2162.4 Ų62.48%0.08233%0.332CS..THydrogen-bonded Turntrans-70.3-19-179.268.3-86.8000113.2N205 L314 N317N205-Y243 HydrophobicContact CB-CD2 3.79Å; N205-Y243 HydrophobicContact CB-CE2 4.28Å; N205-Y243 HydrophobicContact CB-CG 4.07Å; N205-Y243 WeakPolarHBondContact OD1-CB 3.31Å; Y243-L314 WeakPolarHBondContact CD1-O 3.43Å; Y243-L314 VanDerWaalsContact CE1-O 3.3Å; Y243-L314 WeakPolarHBondContact CE1-O 3.48Å; Y243-N317 WeakPolarHBondContact OH-CB 3.48Å; Y243-N317 PolarHBondContact OH-N 3.23Å; Y243-N317 PolarHBondContact OH-ND2 3.4Å
244T79.4Confident88.4Confident60 Ų6056.9 Ų56.937%0.36831%0.306SS..THydrogen-bonded Turntrans-81.8-38.5178.565.70000112.9D242 N317D242-T244 VanDerWaalsContact CG-OG1 3.27Å; D242-T244 PolarHBondContact O-N 3.45Å; D242-T244 PolarHBondContact OD1-N 3.04Å; D242-T244 PolarHBondContact OD1-OG1 3.25Å; D242-T244 PolarHBondContact OD2-OG1 3.4Å; T244-N317 VanDerWaalsContact CG2-ND2 3.34Å; T244-N317 WeakPolarHBondContact CG2-ND2 3.16Å
245T80.6Confident88.2Confident50 Ų5057 Ų5731%0.30731%0.307SS..THydrogen-bonded Turntrans-100.6-19.2-179.458.40000114D242 L247D242-T245 WeakPolarHBondContact OD2-CB 3.34Å; D242-T245 WeakPolarHBondContact OD2-CG2 3.19Å; D242-T245 PolarHBondContact OD2-N 2.95Å; D242-T245 VanDerWaalsContact OD2-N 3.16Å; D242-T245 PolarHBondContact OD2-OG1 3.22Å; T245-L247 PolarHBondContact O-N 3.17Å
246G81.3Confident87.8Confident52 Ų5255.5 Ų55.554%0.53630%0.3SS..  trans68.88.8-173.300000114D242D242-G246 VanDerWaalsContact O-CA 3.25Å; D242-G246 WeakPolarHBondContact O-CA 3.33Å; D242-G246 PolarHBondContact O-N 3.39Å
247L84.8Confident87.5Confident102 Ų10249.3 Ų49.353%0.53428%0.279SS..SBendtrans-103148.9-177.4-64.9176.6000111.1D242 T245 T249D242-L247 PolarHBondContact N-O 3.31Å; T245-L247 PolarHBondContact O-N 3.17Å; L247-T249 PolarHBondContact O-N 2.8Å
248L88.8Confident87.3Confident117 Ų11746.2 Ų46.261%0.61326%0.259SS*.BIsolated β-bridgetrans-65.3123.6169.7-176.270.8000108.9I241I241-L248 HydrophobicContact CG1-CD1 4.39Å
249T89Confident87.2Confident5 Ų540.9 Ų40.93%0.03123%0.233CC..PPolyproline II helixtrans-72.3154176.657.30000111.2F44 H48 Y239 S240 D242 L247F44-T249 HydrophobicContact CE2-CG2 3.77Å; F44-T249 HydrophobicContact CZ-CG2 3.83Å; H48-T249 PolarHBondContact CE1-OG1 3.4Å; H48-T249 PolarHBondContact ND1-OG1 3.04Å; Y239-T249 WeakPolarHBondContact CB-O 3.34Å; S240-T249 PolarHBondContact O-N 2.96Å; S240-T249 VanDerWaalsContact O-N 3.17Å; S240-T249 PolarHBondContact O-OG1 2.8Å; D242-T249 HydrophobicContact CB-CG2 3.79Å; L247-T249 PolarHBondContact O-N 2.8Å
250S90.7Very high87Confident46 Ų4638.3 Ų38.332%0.32222%0.224SC..  trans-141.7165.8174.769.20000109.6V252 I253 V254S250-V252 PolarHBondContact O-N 3.22Å; S250-V252 VanDerWaalsContact O-N 3.13Å; S250-I253 PolarHBondContact O-N 3.38Å; S250-I253 VanDerWaalsContact O-N 3.07Å; S250-I253 PolarHBondContact OG-N 2.92Å; S250-V254 WeakPolarHBondContact O-CG2 3.04Å; S250-V254 PolarHBondContact O-N 2.62Å
251F90.3Very high86.9Confident65 Ų6536.8 Ų36.829%0.28521%0.214SC..Hα-helixtrans-45.3-45.4172.7176.4-97000112.2E53 Q57 L60 Y239 F255E53-F251 HydrophobicContact CG-CD2 4.15Å; E53-F251 HydrophobicContact CG-CE2 4.17Å; E53-F251 WeakPolarHBondContact OE1-CD2 3.4Å; Q57-F251 HydrophobicContact CG-CD2 4.09Å; Q57-F251 HydrophobicContact CG-CE2 3.4Å; Q57-F251 VanDerWaalsContact CG-CE2 3.4Å; Q57-F251 HydrophobicContact CG-CZ 3.89Å; L60-F251 HydrophobicContact CD2-CZ 4.45Å; Y239-F251 WeakPolarHBondContact OH-CA 3.09Å; F251-F255 VanDerWaalsContact O-CB 3.24Å; F251-F255 WeakPolarHBondContact O-CB 3.31Å; F251-F255 PolarHBondContact O-N 3.02Å
252V88.7Confident87Confident41 Ų4132.8 Ų32.825%0.24819%0.193CC..Hα-helixtrans-67.7-40.7-176.6178.60000112S250 S256 L456S250-V252 PolarHBondContact O-N 3.22Å; S250-V252 VanDerWaalsContact O-N 3.13Å; V252-S256 WeakPolarHBondContact O-CB 3.09Å; V252-S256 PolarHBondContact O-N 2.92Å; V252-S256 PolarHBondContact O-OG 3.1Å; V252-L456 WeakPolarHBondContact CG1-O 3.48Å
253I87.6Confident87.2Confident67 Ų6732.6 Ų32.634%0.34419%0.193SC..Hα-helixtrans-67.8-46.4179-65.7170.9000109.9S250 F255 S256 V257S250-I253 PolarHBondContact O-N 3.38Å; S250-I253 VanDerWaalsContact O-N 3.07Å; S250-I253 PolarHBondContact OG-N 2.92Å; I253-F255 PolarHBondContact O-N 3.21Å; I253-S256 WeakPolarHBondContact O-CB 3.25Å; I253-S256 PolarHBondContact O-N 2.87Å; I253-V257 WeakPolarHBondContact O-CG2 3.3Å; I253-V257 PolarHBondContact O-N 2.76Å
254V90.2Very high87.6Confident0 Ų031.7 Ų31.70%019%0.189CC..Hα-helixtrans-62.4-44.8178.4-178.30000110.6F44 I45 H48 A49 Y239 S250 S256 V257 L258F44-V254 HydrophobicContact CE1-CG2 4.09Å; F44-V254 HydrophobicContact CZ-CG2 4.27Å; I45-V254 HydrophobicContact CB-CG1 4.12Å; I45-V254 HydrophobicContact CG1-CG1 3.97Å; I45-V254 HydrophobicContact CG2-CG1 3.9Å; H48-V254 HydrophobicContact CB-CG2 4.04Å; A49-V254 HydrophobicContact CB-CG1 4.21Å; Y239-V254 HydrophobicContact CE1-CG2 3.95Å; S250-V254 WeakPolarHBondContact O-CG2 3.04Å; S250-V254 PolarHBondContact O-N 2.62Å; V254-S256 VanDerWaalsContact C-N 3.33Å; V254-S256 PolarHBondContact O-N 3.2Å; V254-V257 PolarHBondContact O-N 3.44Å; V254-L258 WeakPolarHBondContact O-CB 3.49Å; V254-L258 PolarHBondContact O-N 3.42Å
255F89.4Confident88.2Confident3 Ų328.9 Ų28.91%0.01317%0.172CC..Hα-helixtrans-59.7-42.1173.9-179.6-93.4000111.9Q57 L60 S61 F251 I253 V257 L258 F259 M453 I457Q57-F255 HydrophobicContact CB-CD2 4.22Å; Q57-F255 HydrophobicContact CG-CD2 4.33Å; L60-F255 HydrophobicContact CD2-CE2 4.19Å; L60-F255 HydrophobicContact CG-CE2 4.23Å; S61-F255 WeakPolarHBondContact OG-CE2 3.18Å; F251-F255 VanDerWaalsContact O-CB 3.24Å; F251-F255 WeakPolarHBondContact O-CB 3.31Å; F251-F255 PolarHBondContact O-N 3.02Å; I253-F255 PolarHBondContact O-N 3.21Å; F255-V257 VanDerWaalsContact C-N 3.35Å; F255-V257 PolarHBondContact O-N 2.83Å; F255-L258 PolarHBondContact O-N 2.87Å; F255-F259 HydrophobicContact CD1-CB 4.32Å; F255-F259 HydrophobicContact CE1-CB 4.02Å; F255-F259 HydrophobicContact CE1-CD2 4.19Å; F255-F259 HydrophobicContact CE1-CG 4.17Å; F255-F259 HydrophobicContact CZ-CB 4.32Å; F255-F259 AromaticContact CZ-CD2 3.89Å; F255-F259 HydrophobicContact CZ-CD2 3.89Å; F255-F259 HydrophobicContact CZ-CG 4.32Å; F255-F259 WeakPolarHBondContact O-CB 3.45Å; F255-F259 PolarHBondContact O-N 3.07Å; F255-M453 HydrophobicContact CD1-SD 4.42Å; F255-M453 HydrophobicContact CE1-CB 4.32Å; F255-M453 HydrophobicContact CE1-CG 4.12Å; F255-M453 HydrophobicContact CE1-SD 3.8Å; F255-M453 HydrophobicContact CZ-CG 4.1Å; F255-M453 HydrophobicContact CZ-SD 3.87Å; F255-I457 HydrophobicContact CD1-CD1 4.2Å; F255-I457 HydrophobicContact CD1-CG1 4.32Å; F255-I457 HydrophobicContact CE1-CD1 4.14Å
256S86.7Confident88.7Confident11 Ų1126.6 Ų26.68%0.07716%0.158CC..Hα-helixtrans-62.9-41.2179.6-61.50000112.3V252 I253 V254 S260 I457V252-S256 WeakPolarHBondContact O-CB 3.09Å; V252-S256 PolarHBondContact O-N 2.92Å; V252-S256 PolarHBondContact O-OG 3.1Å; I253-S256 WeakPolarHBondContact O-CB 3.25Å; I253-S256 PolarHBondContact O-N 2.87Å; V254-S256 VanDerWaalsContact C-N 3.33Å; V254-S256 PolarHBondContact O-N 3.2Å; S256-S260 WeakPolarHBondContact O-CB 3.39Å; S256-S260 PolarHBondContact O-N 3.43Å; S256-I457 WeakPolarHBondContact OG-CG1 3.31Å; S256-I457 WeakPolarHBondContact OG-CG2 3.34Å
257V87.8Confident89.2Confident33 Ų3324.1 Ų24.120%0.213%0.132CC..Hα-helixtrans-65.3-49.9176.1173.30000110.1R41 F44 I253 V254 F255 F259 S260R41-V257 HydrophobicContact CB-CG1 3.97Å; R41-V257 HydrophobicContact CG-CG1 3.96Å; F44-V257 HydrophobicContact CD1-CG1 4.48Å; F44-V257 HydrophobicContact CE1-CB 4.4Å; F44-V257 HydrophobicContact CE1-CG1 4.46Å; F44-V257 HydrophobicContact CE1-CG2 4.25Å; I253-V257 WeakPolarHBondContact O-CG2 3.3Å; I253-V257 PolarHBondContact O-N 2.76Å; V254-V257 PolarHBondContact O-N 3.44Å; F255-V257 VanDerWaalsContact C-N 3.35Å; F255-V257 PolarHBondContact O-N 2.83Å; V257-F259 PolarHBondContact O-N 2.9Å; V257-S260 PolarHBondContact O-N 3.26Å; V257-S260 PolarHBondContact O-OG 2.78Å
258L90.3Very high89.4Confident0 Ų019.3 Ų19.30%011%0.107CC..Hα-helixtrans-58.3-50.2176.817565.9000111.6V37 I45 Q57 L58 V254 F255 S260 G261 M301V37-L258 HydrophobicContact CG1-CD1 4.42Å; I45-L258 HydrophobicContact CD1-CB 3.97Å; I45-L258 HydrophobicContact CD1-CD1 3.91Å; Q57-L258 HydrophobicContact CB-CD2 3.81Å; L58-L258 HydrophobicContact CB-CD2 4.37Å; L58-L258 HydrophobicContact CD1-CD1 3.98Å; L58-L258 HydrophobicContact CD1-CD2 4.47Å; V254-L258 WeakPolarHBondContact O-CB 3.49Å; V254-L258 PolarHBondContact O-N 3.42Å; F255-L258 PolarHBondContact O-N 2.87Å; L258-S260 VanDerWaalsContact C-N 3.33Å; L258-S260 PolarHBondContact O-N 3.29Å; L258-G261 PolarHBondContact O-N 2.79Å; L258-M301 HydrophobicContact CD1-CE 4.31Å
259F89.2Confident89.5Confident0 Ų013.7 Ų13.70%08%0.078CC..Hα-helixtrans-62.3-41.3-176.6-169.5-93.8000111.3L65 F255 V257 G261 V262 T263 L410 Y413L65-F259 HydrophobicContact CD2-CE2 4.17Å; L65-F259 HydrophobicContact CD2-CZ 4.08Å; L65-F259 HydrophobicContact CG-CE2 4.25Å; F255-F259 HydrophobicContact CD1-CB 4.32Å; F255-F259 HydrophobicContact CE1-CB 4.02Å; F255-F259 HydrophobicContact CE1-CD2 4.19Å; F255-F259 HydrophobicContact CE1-CG 4.17Å; F255-F259 HydrophobicContact CZ-CB 4.32Å; F255-F259 AromaticContact CZ-CD2 3.89Å; F255-F259 HydrophobicContact CZ-CD2 3.89Å; F255-F259 HydrophobicContact CZ-CG 4.32Å; F255-F259 WeakPolarHBondContact O-CB 3.45Å; F255-F259 PolarHBondContact O-N 3.07Å; V257-F259 PolarHBondContact O-N 2.9Å; F259-G261 PolarHBondContact O-N 3.43Å; F259-V262 HydrophobicContact CD2-CG2 4.3Å; F259-V262 VanDerWaalsContact O-CG2 3.22Å; F259-V262 WeakPolarHBondContact O-CG2 3.28Å; F259-V262 PolarHBondContact O-N 3.42Å; F259-T263 HydrophobicContact CD1-CG2 3.89Å; F259-T263 HydrophobicContact CE1-CG2 3.65Å; F259-T263 HydrophobicContact CZ-CG2 4.48Å; F259-T263 WeakPolarHBondContact O-CG2 3.42Å; F259-T263 PolarHBondContact O-N 2.9Å; F259-L410 HydrophobicContact CD1-CD1 4.31Å; F259-L410 HydrophobicContact CD1-CD2 4.42Å; F259-L410 HydrophobicContact CD1-CG 4.19Å; F259-L410 HydrophobicContact CE1-CD1 4.04Å; F259-L410 HydrophobicContact CE1-CD2 3.51Å; F259-L410 HydrophobicContact CE1-CG 3.45Å; F259-L410 VanDerWaalsContact CE1-CG 3.45Å; F259-L410 HydrophobicContact CE2-CD2 3.99Å; F259-L410 HydrophobicContact CZ-CD2 3.25Å; F259-L410 HydrophobicContact CZ-CG 3.79Å; F259-Y413 HydrophobicContact CZ-CD2 4.49Å; F259-Y413 HydrophobicContact CZ-CE2 4.47Å
260S87.3Confident89.6Confident11 Ų1113.5 Ų13.58%0.0778%0.077CC..Hα-helixtrans-55.4-38.7179.474.20000112.4Y117 S256 V257 L258 T263Y117-S260 PolarHBondContact OH-O 3.4Å; Y117-S260 VanDerWaalsContact OH-O 3.13Å; S256-S260 WeakPolarHBondContact O-CB 3.39Å; S256-S260 PolarHBondContact O-N 3.43Å; V257-S260 PolarHBondContact O-N 3.26Å; V257-S260 PolarHBondContact O-OG 2.78Å; L258-S260 VanDerWaalsContact C-N 3.33Å; L258-S260 PolarHBondContact O-N 3.29Å; S260-T263 PolarHBondContact O-OG1 3.5Å
261G86.6Confident89.4Confident0 Ų011.4 Ų11.40%06%0.062CC..Hα-helixtrans-74.2-21.8179.100000114.8Q33 S35 L258 F259Q33-G261 CarbonylContact C-O 3.59Å; Q33-G261 VanDerWaalsContact CA-O 3.3Å; Q33-G261 WeakPolarHBondContact CA-O 3.3Å; Q33-G261 VanDerWaalsContact O-O 3.11Å; S35-G261 WeakPolarHBondContact OG-CA 3.42Å; S35-G261 PolarHBondContact OG-O 3.47Å; L258-G261 PolarHBondContact O-N 2.79Å; F259-G261 PolarHBondContact O-N 3.43Å
262V91.2Very high89.3Confident0 Ų08.3 Ų8.30%05%0.048CC..Hα-helixtrans-99.4-0.3-179.3-64.30000113.7Q33 Y62 L65 F259 G264 Y297Q33-V262 PolarHBondContact NE2-O 3.44Å; Y62-V262 HydrophobicContact CE2-CG1 3.85Å; L65-V262 HydrophobicContact CD1-CB 3.77Å; L65-V262 HydrophobicContact CD1-CG2 3.65Å; L65-V262 WeakPolarHBondContact CD1-O 3.37Å; F259-V262 HydrophobicContact CD2-CG2 4.3Å; F259-V262 VanDerWaalsContact O-CG2 3.22Å; F259-V262 WeakPolarHBondContact O-CG2 3.28Å; F259-V262 PolarHBondContact O-N 3.42Å; V262-G264 PolarHBondContact O-N 3.39Å; V262-G264 VanDerWaalsContact O-N 3.13Å; V262-Y297 HydrophobicContact CG1-CE2 4.34Å
263T89.3Confident89.1Confident1 Ų17 Ų71%0.0064%0.043CC..G310 helixtrans-62-18.2179.354.20000114.2F259 S260 I265 F409 Y413F259-T263 HydrophobicContact CD1-CG2 3.89Å; F259-T263 HydrophobicContact CE1-CG2 3.65Å; F259-T263 HydrophobicContact CZ-CG2 4.48Å; F259-T263 WeakPolarHBondContact O-CG2 3.42Å; F259-T263 PolarHBondContact O-N 2.9Å; S260-T263 PolarHBondContact O-OG1 3.5Å; T263-I265 PolarHBondContact O-N 2.88Å; T263-F409 HydrophobicContact CG2-CB 3.98Å; T263-F409 HydrophobicContact CG2-CD2 3.82Å; T263-F409 HydrophobicContact CG2-CG 4.07Å; T263-Y413 PolarHBondContact O-OH 3.01Å
264G89.9Confident89Confident1 Ų14.3 Ų4.31%0.013%0.029CC..G310 helixtrans-62.813.9-174.400000118.7S32 V262 M266 N267S32-G264 WeakPolarHBondContact OG-CA 3.22Å; V262-G264 PolarHBondContact O-N 3.39Å; V262-G264 VanDerWaalsContact O-N 3.13Å; G264-M266 PolarHBondContact O-N 3.36Å; G264-N267 PolarHBondContact O-N 2.88Å
265I93.2Very high89Confident1 Ų14.3 Ų4.31%0.0053%0.029CC..G310 helixtrans-60.4-26.9-176.254.9160000114.2Q33 L65 T68 V69 I72 T263 T286 L290 Y413Q33-I265 VanDerWaalsContact NE2-CG2 3.27Å; L65-I265 HydrophobicContact CB-CG2 4.37Å; L65-I265 HydrophobicContact CD1-CG2 4.28Å; L65-I265 HydrophobicContact CD2-CD1 3.81Å; L65-I265 HydrophobicContact CD2-CG1 4.15Å; L65-I265 HydrophobicContact CD2-CG2 4.11Å; L65-I265 HydrophobicContact CG-CG2 4.5Å; T68-I265 HydrophobicContact CG2-CD1 4.05Å; V69-I265 HydrophobicContact CG2-CB 4.24Å; V69-I265 HydrophobicContact CG2-CD1 3.93Å; V69-I265 HydrophobicContact CG2-CG2 4.28Å; I72-I265 HydrophobicContact CD1-CD1 4.1Å; T263-I265 PolarHBondContact O-N 2.88Å; I265-T286 HydrophobicContact CB-CG2 4.45Å; I265-L290 HydrophobicContact CG2-CD1 4.38Å; I265-L290 HydrophobicContact CG2-CD2 3.93Å; I265-L290 HydrophobicContact CG2-CG 4.4Å; I265-Y413 HydrophobicContact CD1-CD2 4.5Å; I265-Y413 HydrophobicContact CD1-CE1 4.27Å; I265-Y413 HydrophobicContact CD1-CE2 4.01Å; I265-Y413 HydrophobicContact CG1-CE1 4.4Å; I265-Y413 HydrophobicContact CG1-CE2 4.21Å
266M90.7Very high88.9Confident2 Ų29 Ų91%0.015%0.049CC..G310 helixtrans-92.7-7.2-176.7-71.9-172.3177.800113.9T68 I72 V86 F106 G264 G268 A269 N270 Y413 V416T68-M266 HydrophobicContact CG2-CE 4.46Å; I72-M266 HydrophobicContact CD1-CE 3.6Å; I72-M266 HydrophobicContact CD1-CG 3.79Å; I72-M266 HydrophobicContact CG1-CE 4.06Å; V86-M266 HydrophobicContact CB-SD 4.19Å; V86-M266 HydrophobicContact CG1-CE 4.06Å; V86-M266 HydrophobicContact CG1-SD 3.93Å; V86-M266 HydrophobicContact CG2-CB 4.06Å; V86-M266 HydrophobicContact CG2-CG 3.92Å; V86-M266 HydrophobicContact CG2-SD 3.77Å; F106-M266 HydrophobicContact CD2-SD 4.14Å; F106-M266 HydrophobicContact CE1-CB 4.35Å; F106-M266 HydrophobicContact CE1-SD 3.9Å; F106-M266 HydrophobicContact CE2-CB 4.26Å; F106-M266 HydrophobicContact CE2-CG 4.4Å; F106-M266 HydrophobicContact CE2-SD 3.34Å; F106-M266 WeakPolarHBondContact CE2-SD 3.44Å; F106-M266 HydrophobicContact CZ-CB 3.53Å; F106-M266 HydrophobicContact CZ-CG 4.01Å; F106-M266 HydrophobicContact CZ-SD 3.25Å; F106-M266 WeakPolarHBondContact CZ-SD 3.36Å; G264-M266 PolarHBondContact O-N 3.36Å; M266-G268 VanDerWaalsContact C-N 3.29Å; M266-G268 PolarHBondContact O-N 3.29Å; M266-A269 CarbonylContact O-C 3.58Å; M266-A269 WeakPolarHBondContact O-CA 3.43Å; M266-A269 WeakPolarHBondContact O-CB 3.48Å; M266-A269 PolarHBondContact O-N 2.91Å; M266-N270 VanDerWaalsContact O-CG 3.3Å; M266-N270 PolarHBondContact O-N 3.02Å; M266-Y413 HydrophobicContact CE-CD1 3.37Å; M266-Y413 HydrophobicContact CE-CE1 3.36Å; M266-Y413 HydrophobicContact CG-CE1 4.09Å; M266-Y413 HydrophobicContact SD-CD1 4.16Å; M266-Y413 HydrophobicContact SD-CE1 3.57Å; M266-Y413 VanDerWaalsContact SD-CE1 3.57Å; M266-V416 HydrophobicContact CE-CG2 3.76Å
267N91.1Very high88.9Confident1 Ų113.3 Ų13.31%0.0057%0.071CC..Hα-helixtrans-61.2-38.6-176.3-77.5-11.3000112.4S32 Q110 G264 A269 N270S32-N267 VanDerWaalsContact CB-ND2 3.31Å; S32-N267 WeakPolarHBondContact CB-ND2 3.42Å; S32-N267 PolarHBondContact OG-ND2 3.22Å; Q110-N267 PolarHBondContact NE2-OD1 3.46Å; G264-N267 PolarHBondContact O-N 2.88Å; N267-A269 PolarHBondContact O-N 2.83Å; N267-N270 PolarHBondContact O-N 3.46Å
268G89.4Confident89Confident0 Ų012 Ų120%06%0.064CC..Hα-helixtrans-66.7-34.3173.400000113.8G24 M266G24-G268 WeakPolarHBondContact O-CA 3.41Å; M266-G268 VanDerWaalsContact C-N 3.29Å; M266-G268 PolarHBondContact O-N 3.29Å
269A91.1Very high89Confident0 Ų014.6 Ų14.60%08%0.082CC..Hα-helixtrans-72.5-32.1176.200000111.9G85 V86 M89 M266 N267 V271 S272 I282G85-A269 WeakPolarHBondContact CA-O 3.25Å; V86-A269 HydrophobicContact CG2-CB 3.68Å; M89-A269 HydrophobicContact CE-CB 3.92Å; M266-A269 CarbonylContact O-C 3.58Å; M266-A269 WeakPolarHBondContact O-CA 3.43Å; M266-A269 WeakPolarHBondContact O-CB 3.48Å; M266-A269 PolarHBondContact O-N 2.91Å; N267-A269 PolarHBondContact O-N 2.83Å; A269-V271 PolarHBondContact O-N 3.42Å; A269-V271 VanDerWaalsContact O-N 3.14Å; A269-S272 WeakPolarHBondContact O-CB 3.29Å; A269-S272 PolarHBondContact O-N 3.43Å; A269-S272 PolarHBondContact O-OG 3.26Å; A269-I282 HydrophobicContact CB-CD1 4.44Å; A269-I282 HydrophobicContact CB-CG2 4.31Å
270N90.5Very high89.1Confident1 Ų123.4 Ų23.41%0.00512%0.115CC..Hα-helixtrans-63-20.2178.9-71.3-19.4000114F106 Q110 M266 N267F106-N270 WeakPolarHBondContact CE1-OD1 3.42Å; Q110-N270 PolarHBondContact NE2-ND2 2.97Å; Q110-N270 VanDerWaalsContact NE2-ND2 3.19Å; M266-N270 VanDerWaalsContact O-CG 3.3Å; M266-N270 PolarHBondContact O-N 3.02Å; N267-N270 PolarHBondContact O-N 3.46Å
271V86.5Confident89.4Confident2 Ų223.1 Ų23.11%0.01211%0.113CC..THydrogen-bonded Turntrans-10117178.9-1670000111.3L19 F170 A269 G273 E274 L275 I347L19-V271 HydrophobicContact CD1-CG1 3.53Å; F170-V271 HydrophobicContact CE1-CG2 4.28Å; A269-V271 PolarHBondContact O-N 3.42Å; A269-V271 VanDerWaalsContact O-N 3.14Å; V271-G273 VanDerWaalsContact C-N 3.26Å; V271-G273 PolarHBondContact O-N 2.92Å; V271-G273 VanDerWaalsContact O-N 3.13Å; V271-E274 HydrophobicContact CG1-CB 3.95Å; V271-E274 HydrophobicContact CG1-CG 4.3Å; V271-E274 WeakPolarHBondContact CG1-OE2 3.32Å; V271-E274 PolarHBondContact O-N 3.46Å; V271-L275 PolarHBondContact O-N 3.39Å; V271-I347 HydrophobicContact CG2-CG2 4.29Å
272S88.2Confident89.7Confident0 Ų023.1 Ų23.10%011%0.113CC..G310 helixtrans-55.5-33.9-175.859.70000115.2E82 G85 A269 E274 L275E82-S272 PolarHBondContact O-OG 3.45Å; G85-S272 VanDerWaalsContact CA-OG 3.31Å; G85-S272 WeakPolarHBondContact CA-OG 3.38Å; G85-S272 PolarHBondContact N-OG 3.35Å; A269-S272 WeakPolarHBondContact O-CB 3.29Å; A269-S272 PolarHBondContact O-N 3.43Å; A269-S272 PolarHBondContact O-OG 3.26Å; S272-E274 PolarHBondContact O-N 2.92Å; S272-L275 PolarHBondContact O-N 3.06Å
273G84.6Confident89.9Confident14 Ų1423.6 Ų23.614%0.14412%0.116CC..G310 helixtrans-65.9-15.2178.200000114.1R17 E82 V271R17-G273 WeakPolarHBondContact CG-O 3.22Å; E82-G273 PolarHBondContact O-N 3.11Å; V271-G273 VanDerWaalsContact C-N 3.26Å; V271-G273 PolarHBondContact O-N 2.92Å; V271-G273 VanDerWaalsContact O-N 3.13Å
274E86.6Confident90.1Very high9 Ų928.2 Ų28.24%0.04214%0.14CC..G310 helixtrans-110.8-3-177.4-55.7170.3-179.600112R16 R17 T18 L19 S167 V271 S272 R351R16-E274 WeakPolarHBondContact O-CA 3.23Å; R17-E274 CarbonylContact C-O 3.54Å; R17-E274 VanDerWaalsContact CA-O 3.27Å; R17-E274 WeakPolarHBondContact CA-O 3.4Å; T18-E274 PolarHBondContact N-O 3.44Å; L19-E274 VanDerWaalsContact CB-O 3.32Å; L19-E274 WeakPolarHBondContact CB-O 3.39Å; L19-E274 HydrophobicContact CD1-CB 3.87Å; L19-E274 HydrophobicContact CG-CB 4.26Å; L19-E274 PolarHBondContact N-O 2.91Å; S167-E274 VanDerWaalsContact CB-OE1 3.29Å; S167-E274 WeakPolarHBondContact CB-OE1 3.47Å; S167-E274 WeakPolarHBondContact CB-OE2 3.33Å; S167-E274 PolarHBondContact OG-OE2 3.44Å; V271-E274 HydrophobicContact CG1-CB 3.95Å; V271-E274 HydrophobicContact CG1-CG 4.3Å; V271-E274 WeakPolarHBondContact CG1-OE2 3.32Å; V271-E274 PolarHBondContact O-N 3.46Å; S272-E274 PolarHBondContact O-N 2.92Å; E274-R351 IonicContact OE1-CZ 3.43Å; E274-R351 IonicContact OE1-NE 3.02Å; E274-R351 PolarHBondContact OE1-NE 3.39Å; E274-R351 IonicContact OE1-NH2 2.94Å; E274-R351 PolarHBondContact OE1-NH2 3.36Å
275L88.5Confident90.4Very high0 Ų028.1 Ų28.10%014%0.14CC..BIsolated β-bridgetrans-79.3136.2173.3-66.4173.7000110.8R17 L19 V25 V271 S272 N277 P278 I282R17-L275 WeakPolarHBondContact CB-O 3.44Å; R17-L275 WeakPolarHBondContact CD-O 3.4Å; R17-L275 WeakPolarHBondContact CG-O 3.29Å; L19-L275 HydrophobicContact CB-CD2 4.02Å; L19-L275 WeakPolarHBondContact O-CA 3.47Å; V25-L275 HydrophobicContact CG2-CD1 3.61Å; V25-L275 HydrophobicContact CG2-CD2 3.81Å; V25-L275 HydrophobicContact CG2-CG 4.39Å; V271-L275 PolarHBondContact O-N 3.39Å; S272-L275 PolarHBondContact O-N 3.06Å; L275-N277 PolarHBondContact O-N 2.97Å; L275-P278 HydrophobicContact CB-CB 4.17Å; L275-P278 HydrophobicContact CD1-CB 4.22Å; L275-I282 HydrophobicContact CD1-CD1 4.41Å; L275-I282 HydrophobicContact CD1-CG1 3.85Å
276K87.4Confident90.5Very high102 Ų10228.2 Ų28.244%0.44314%0.14SC..SBendtrans-55.3-52.1173-72.3179.2-175167.60112.1R17 T18 L19 N20R17-K276 VanDerWaalsContact O-CG 3.3Å; R17-K276 WeakPolarHBondContact O-CG 3.48Å; T18-K276 WeakPolarHBondContact O-CE 3.25Å; L19-K276 PolarHBondContact O-N 3.27Å; N20-K276 WeakPolarHBondContact OD1-CD 3.47Å; N20-K276 VanDerWaalsContact OD1-CE 3.32Å; N20-K276 WeakPolarHBondContact OD1-CE 3.05Å; N20-K276 PolarHBondContact OD1-NZ 3.25Å
277N88.5Confident90.8Very high101 Ų10130.3 Ų30.354%0.5415%0.151SC..SBendtrans-13079.8-178-70.1-30.5000110.4L275 S279 R280 S281L275-N277 PolarHBondContact O-N 2.97Å; N277-S279 PolarHBondContact O-N 3.31Å; N277-R280 PolarHBondContact O-N 3.47Å; N277-S281 WeakPolarHBondContact O-CB 3.36Å; N277-S281 PolarHBondContact O-N 2.88Å; N277-S281 PolarHBondContact O-OG 3.5Å
278P89.5Confident91Very high7 Ų732.5 Ų32.55%0.04517%0.166CC..Hα-helixtrans-61.3-40.8-172.622.2-32.3000113.2V81 L275 R280 S281 I282V81-P278 HydrophobicContact CB-CB 3.9Å; V81-P278 HydrophobicContact CB-CG 3.83Å; V81-P278 HydrophobicContact CG1-CB 4.15Å; V81-P278 HydrophobicContact CG1-CG 4.5Å; L275-P278 HydrophobicContact CB-CB 4.17Å; L275-P278 HydrophobicContact CD1-CB 4.22Å; P278-R280 VanDerWaalsContact C-N 3.28Å; P278-R280 PolarHBondContact O-N 2.98Å; P278-S281 PolarHBondContact O-N 3.04Å; P278-I282 HydrophobicContact CB-CD1 4.11Å; P278-I282 WeakPolarHBondContact O-CB 3.36Å; P278-I282 VanDerWaalsContact O-CG1 3.28Å; P278-I282 WeakPolarHBondContact O-CG1 3.44Å; P278-I282 PolarHBondContact O-N 2.94Å
279S89.8Confident91.3Very high54 Ų5432.5 Ų32.538%0.37817%0.166SC..Hα-helixtrans-62.2-29.3-177.755.60000114.5S76 T77 N277 P283S76-S279 VanDerWaalsContact O-CA 3.32Å; S76-S279 WeakPolarHBondContact O-CA 3.33Å; S76-S279 VanDerWaalsContact O-CB 3.29Å; S76-S279 WeakPolarHBondContact O-CB 3.46Å; T77-S279 WeakPolarHBondContact CG2-O 3.38Å; N277-S279 PolarHBondContact O-N 3.31Å; S279-P283 WeakPolarHBondContact O-CD 3.17Å; S279-P283 WeakPolarHBondContact O-CG 3.45Å
280R91.4Very high91.6Very high185 Ų18532.9 Ų32.970%0.69817%0.169SC*.Hα-helixtrans-94.3-35.3173.7-175.4177.9175.4-177.4-0.7112.5N277 P278 L284N277-R280 PolarHBondContact O-N 3.47Å; P278-R280 VanDerWaalsContact C-N 3.28Å; P278-R280 PolarHBondContact O-N 2.98Å; R280-L284 WeakPolarHBondContact O-CB 3.14Å; R280-L284 PolarHBondContact O-N 3.05Å
281S93Very high91.9Very high4 Ų438 Ų383%0.02820%0.195CC..Hα-helixtrans-73.5-38-173.7-57.40000112.5T21 N277 P278 G285T21-S281 WeakPolarHBondContact CG2-O 3.47Å; T21-S281 PolarHBondContact OG1-OG 3.24Å; T21-S281 VanDerWaalsContact OG1-OG 3.09Å; N277-S281 WeakPolarHBondContact O-CB 3.36Å; N277-S281 PolarHBondContact O-N 2.88Å; N277-S281 PolarHBondContact O-OG 3.5Å; P278-S281 PolarHBondContact O-N 3.04Å; S281-G285 WeakPolarHBondContact O-CA 3.05Å; S281-G285 PolarHBondContact O-N 3.44Å
282I94Very high92.3Very high0 Ų039.8 Ų39.80%021%0.207CC..Hα-helixtrans-64.1-54.1-179.3-64.9165.2000110.5I72 V81 M89 A269 L275 P278 L284 T286I72-I282 HydrophobicContact CG2-CG2 4.08Å; V81-I282 HydrophobicContact CG1-CD1 4.48Å; M89-I282 HydrophobicContact CE-CD1 4.46Å; M89-I282 HydrophobicContact SD-CD1 4.36Å; A269-I282 HydrophobicContact CB-CD1 4.44Å; A269-I282 HydrophobicContact CB-CG2 4.31Å; L275-I282 HydrophobicContact CD1-CD1 4.41Å; L275-I282 HydrophobicContact CD1-CG1 3.85Å; P278-I282 HydrophobicContact CB-CD1 4.11Å; P278-I282 WeakPolarHBondContact O-CB 3.36Å; P278-I282 VanDerWaalsContact O-CG1 3.28Å; P278-I282 WeakPolarHBondContact O-CG1 3.44Å; P278-I282 PolarHBondContact O-N 2.94Å; I282-L284 PolarHBondContact O-N 3.12Å; I282-T286 WeakPolarHBondContact O-CB 3.31Å; I282-T286 PolarHBondContact O-N 3.5Å; I282-T286 PolarHBondContact O-OG1 3.34Å; I282-T286 VanDerWaalsContact O-OG1 3.11Å
283P94.5Very high92.7Very high10 Ų1039.8 Ų39.87%0.06521%0.207CC..Hα-helixtrans-61.1-49.2-179.8-24.334.7000113.3C73 T77 S279 L287 F435C73-P283 HydrophobicContact CB-CB 4.1Å; C73-P283 HydrophobicContact CB-CG 4.08Å; C73-P283 VanDerWaalsContact SG-CA 3.53Å; T77-P283 HydrophobicContact CG2-CG 4.06Å; S279-P283 WeakPolarHBondContact O-CD 3.17Å; S279-P283 WeakPolarHBondContact O-CG 3.45Å; P283-L287 VanDerWaalsContact O-CB 3.31Å; P283-L287 WeakPolarHBondContact O-CB 3.31Å; P283-L287 VanDerWaalsContact O-CG 3.31Å; P283-L287 WeakPolarHBondContact O-CG 3.41Å; P283-L287 PolarHBondContact O-N 3.25Å; P283-L287 VanDerWaalsContact O-N 3.11Å; P283-F435 HydrophobicContact CB-CD2 4.27Å; P283-F435 HydrophobicContact CB-CE2 4.34Å
284L94.4Very high93.2Very high98 Ų9840.5 Ų40.551%0.51321%0.208SC..Hα-helixtrans-66.7-41.8-176.2-173.965.2000111.6T21 R280 I282 S288T21-L284 HydrophobicContact CG2-CB 4.3Å; T21-L284 HydrophobicContact CG2-CD2 4.42Å; T21-L284 HydrophobicContact CG2-CG 4.48Å; R280-L284 WeakPolarHBondContact O-CB 3.14Å; R280-L284 PolarHBondContact O-N 3.05Å; I282-L284 PolarHBondContact O-N 3.12Å; L284-S288 VanDerWaalsContact O-CB 3.31Å; L284-S288 WeakPolarHBondContact O-CB 3.14Å; L284-S288 PolarHBondContact O-N 3.28Å; L284-S288 PolarHBondContact O-OG 3.42Å
285G95.2Very high93.7Very high0 Ų044.7 Ų44.70%023%0.23CC..Hα-helixtrans-70.6-43.7-178.700000113S281 S288 A289S281-G285 WeakPolarHBondContact O-CA 3.05Å; S281-G285 PolarHBondContact O-N 3.44Å; G285-S288 PolarHBondContact O-OG 3.08Å; G285-A289 WeakPolarHBondContact O-CB 3.15Å; G285-A289 PolarHBondContact O-N 3.42Å
286T95.6Very high94Very high2 Ų246.5 Ų46.51%0.01224%0.239CC..Hα-helixtrans-72.4-40.9-178.4-57.30000111.9V25 V69 I265 I282 A289 L290V25-T286 WeakPolarHBondContact CG1-OG1 3.31Å; V69-T286 HydrophobicContact CG1-CG2 3.85Å; V69-T286 HydrophobicContact CG2-CG2 3.93Å; I265-T286 HydrophobicContact CB-CG2 4.45Å; I282-T286 WeakPolarHBondContact O-CB 3.31Å; I282-T286 PolarHBondContact O-N 3.5Å; I282-T286 PolarHBondContact O-OG1 3.34Å; I282-T286 VanDerWaalsContact O-OG1 3.11Å; T286-A289 PolarHBondContact O-N 2.93Å; T286-L290 HydrophobicContact CG2-CD1 4.06Å; T286-L290 WeakPolarHBondContact O-CB 3.28Å; T286-L290 WeakPolarHBondContact O-CD1 3.32Å; T286-L290 WeakPolarHBondContact O-CG 3.47Å; T286-L290 PolarHBondContact O-N 2.9Å
287L96.3Very high94.4Very high47 Ų4741.7 Ų41.725%0.24622%0.218CC..Hα-helixtrans-67.1-42.8177.9-71.7170.5000112.4L66 V69 F70 P283 A289 L290 L291 F435L66-L287 HydrophobicContact CD1-CD2 3.85Å; V69-L287 HydrophobicContact CG1-CD2 3.78Å; V69-L287 HydrophobicContact CG1-CG 4.16Å; F70-L287 HydrophobicContact CD1-CD2 4.47Å; F70-L287 HydrophobicContact CE1-CD2 4.1Å; P283-L287 VanDerWaalsContact O-CB 3.31Å; P283-L287 WeakPolarHBondContact O-CB 3.31Å; P283-L287 VanDerWaalsContact O-CG 3.31Å; P283-L287 WeakPolarHBondContact O-CG 3.41Å; P283-L287 PolarHBondContact O-N 3.25Å; P283-L287 VanDerWaalsContact O-N 3.11Å; L287-A289 VanDerWaalsContact C-N 3.34Å; L287-L290 PolarHBondContact O-N 3.35Å; L287-L291 PolarHBondContact O-N 2.98Å; L287-F435 HydrophobicContact CD1-CE2 3.9Å; L287-F435 HydrophobicContact CD1-CZ 3.95Å
288S96.3Very high94.8Very high46 Ų4638.3 Ų38.332%0.32220%0.2SC..Hα-helixtrans-66.3-36.8175.655.60000112.2F26 L284 G285 L291 C292F26-S288 WeakPolarHBondContact CD2-OG 3.5Å; L284-S288 VanDerWaalsContact O-CB 3.31Å; L284-S288 WeakPolarHBondContact O-CB 3.14Å; L284-S288 PolarHBondContact O-N 3.28Å; L284-S288 PolarHBondContact O-OG 3.42Å; G285-S288 PolarHBondContact O-OG 3.08Å; S288-L291 PolarHBondContact O-N 3.41Å; S288-C292 VanDerWaalsContact O-CB 3.29Å; S288-C292 WeakPolarHBondContact O-CB 3.36Å; S288-C292 PolarHBondContact O-N 3.17Å
289A96.5Very high95.1Very high0 Ų040.9 Ų40.90%022%0.216CC..Hα-helixtrans-62.4-47.9174.600000111.7F26 V29 T30 G285 T286 L287 L291 C292 T293F26-A289 HydrophobicContact CD2-CB 3.95Å; F26-A289 HydrophobicContact CE2-CB 4.38Å; V29-A289 HydrophobicContact CB-CB 3.75Å; V29-A289 HydrophobicContact CG1-CB 3.6Å; T30-A289 WeakPolarHBondContact OG1-CB 3.07Å; G285-A289 WeakPolarHBondContact O-CB 3.15Å; G285-A289 PolarHBondContact O-N 3.42Å; T286-A289 PolarHBondContact O-N 2.93Å; L287-A289 VanDerWaalsContact C-N 3.34Å; A289-L291 PolarHBondContact O-N 2.62Å; A289-C292 PolarHBondContact O-N 3.44Å; A289-T293 WeakPolarHBondContact O-CG2 3.4Å; A289-T293 PolarHBondContact O-N 2.72Å; A289-T293 PolarHBondContact O-OG1 3.2Å
290L96.2Very high95.3Very high9 Ų938.4 Ų38.45%0.04720%0.198CC..Hα-helixtrans-60.3-42.6177.2-81160.5000112.8Y62 L65 V69 I265 T286 L287 T293 L294Y62-L290 HydrophobicContact CD1-CD2 3.73Å; Y62-L290 HydrophobicContact CE1-CB 4.5Å; Y62-L290 HydrophobicContact CE1-CD2 3.66Å; Y62-L290 WeakPolarHBondContact CE1-O 3.3Å; L65-L290 HydrophobicContact CB-CD2 4.45Å; V69-L290 HydrophobicContact CB-CD1 4.11Å; V69-L290 HydrophobicContact CG1-CD1 4.1Å; V69-L290 HydrophobicContact CG2-CD1 3.44Å; V69-L290 VanDerWaalsContact CG2-CD1 3.44Å; I265-L290 HydrophobicContact CG2-CD1 4.38Å; I265-L290 HydrophobicContact CG2-CD2 3.93Å; I265-L290 HydrophobicContact CG2-CG 4.4Å; T286-L290 HydrophobicContact CG2-CD1 4.06Å; T286-L290 WeakPolarHBondContact O-CB 3.28Å; T286-L290 WeakPolarHBondContact O-CD1 3.32Å; T286-L290 WeakPolarHBondContact O-CG 3.47Å; T286-L290 PolarHBondContact O-N 2.9Å; L287-L290 PolarHBondContact O-N 3.35Å; L290-T293 WeakPolarHBondContact CA-OG1 3.29Å; L290-T293 PolarHBondContact O-OG1 3.39Å; L290-T293 VanDerWaalsContact O-OG1 3.1Å; L290-L294 WeakPolarHBondContact O-CB 3.46Å; L290-L294 PolarHBondContact O-N 3.21Å
291L96.4Very high95.5Very high107 Ų10729.6 Ų29.656%0.5617%0.165SC*.Hα-helixtrans-64.8-45.1177.5-17862.9000110.9L287 S288 A289 L295L287-L291 PolarHBondContact O-N 2.98Å; S288-L291 PolarHBondContact O-N 3.41Å; A289-L291 PolarHBondContact O-N 2.62Å; L291-L295 HydrophobicContact CD1-CD1 4.4Å; L291-L295 HydrophobicContact CG-CD1 4.31Å; L291-L295 VanDerWaalsContact O-CG 3.28Å; L291-L295 WeakPolarHBondContact O-CG 3.44Å; L291-L295 PolarHBondContact O-N 3.4Å; L291-L295 VanDerWaalsContact O-N 3.11Å
292C96Very high95.6Very high40 Ų4032.8 Ų32.827%0.2718%0.181SC..Hα-helixtrans-61.6-48.7179.8-176.70000111.9F26 S288 A289 L295 I296F26-C292 HydrophobicContact CE2-CB 4.12Å; F26-C292 HydrophobicContact CZ-CB 4.24Å; S288-C292 VanDerWaalsContact O-CB 3.29Å; S288-C292 WeakPolarHBondContact O-CB 3.36Å; S288-C292 PolarHBondContact O-N 3.17Å; A289-C292 PolarHBondContact O-N 3.44Å; C292-L295 PolarHBondContact O-N 3.47Å; C292-I296 WeakPolarHBondContact O-CG1 3.34Å; C292-I296 PolarHBondContact O-N 3.32Å
293T95.5Very high95.6Very high0 Ų035.2 Ų35.20%019%0.191CC..Hα-helixtrans-67.8-40.8-179.152.30000111.8T30 Q33 F34 Y62 A289 L290 L295 I296 Y297T30-T293 HydrophobicContact CG2-CG2 3.91Å; Q33-T293 HydrophobicContact CB-CG2 3.85Å; Q33-T293 PolarHBondContact OE1-OG1 3.02Å; F34-T293 HydrophobicContact CD1-CG2 4.35Å; F34-T293 HydrophobicContact CE1-CG2 3.94Å; F34-T293 HydrophobicContact CZ-CG2 4.24Å; Y62-T293 WeakPolarHBondContact OH-CB 3.38Å; Y62-T293 PolarHBondContact OH-OG1 2.98Å; Y62-T293 VanDerWaalsContact OH-OG1 3.05Å; A289-T293 WeakPolarHBondContact O-CG2 3.4Å; A289-T293 PolarHBondContact O-N 2.72Å; A289-T293 PolarHBondContact O-OG1 3.2Å; L290-T293 WeakPolarHBondContact CA-OG1 3.29Å; L290-T293 PolarHBondContact O-OG1 3.39Å; L290-T293 VanDerWaalsContact O-OG1 3.1Å; T293-L295 VanDerWaalsContact C-N 3.34Å; T293-L295 PolarHBondContact O-N 3.08Å; T293-I296 PolarHBondContact O-N 3.43Å; T293-Y297 WeakPolarHBondContact O-CB 3.39Å; T293-Y297 WeakPolarHBondContact O-CD2 3.47Å; T293-Y297 PolarHBondContact O-N 3.48Å
294L95.8Very high95.6Very high29 Ų2934.7 Ų34.715%0.15219%0.188CC..Hα-helixtrans-56.6-48.3174.3179.765.4000111.3L58 Y62 L290 Y297 L298L58-L294 HydrophobicContact CD2-CD1 3.94Å; L58-L294 HydrophobicContact CG-CD1 4.04Å; Y62-L294 HydrophobicContact CD1-CB 3.9Å; Y62-L294 HydrophobicContact CD1-CD1 4.05Å; Y62-L294 HydrophobicContact CD1-CG 4.38Å; Y62-L294 HydrophobicContact CD2-CD1 3.86Å; Y62-L294 HydrophobicContact CE1-CB 3.7Å; Y62-L294 HydrophobicContact CE1-CD1 4.37Å; Y62-L294 HydrophobicContact CE2-CD1 4.19Å; Y62-L294 HydrophobicContact CG-CB 4.5Å; Y62-L294 HydrophobicContact CG-CD1 3.77Å; L290-L294 WeakPolarHBondContact O-CB 3.46Å; L290-L294 PolarHBondContact O-N 3.21Å; L294-Y297 PolarHBondContact O-N 2.95Å; L294-L298 HydrophobicContact CD1-CD1 4.36Å; L294-L298 HydrophobicContact CD1-CG 4.49Å; L294-L298 HydrophobicContact CG-CD1 4.18Å; L294-L298 WeakPolarHBondContact O-CB 3.49Å; L294-L298 WeakPolarHBondContact O-CG 3.49Å; L294-L298 PolarHBondContact O-N 3.48Å
295L96.7Very high95.6Very high97 Ų9730 Ų3051%0.50816%0.164SC..Hα-helixtrans-62.7-45.1179-70.4174.3000111.7L291 C292 T293 L298 V299L291-L295 HydrophobicContact CD1-CD1 4.4Å; L291-L295 HydrophobicContact CG-CD1 4.31Å; L291-L295 VanDerWaalsContact O-CG 3.28Å; L291-L295 WeakPolarHBondContact O-CG 3.44Å; L291-L295 PolarHBondContact O-N 3.4Å; L291-L295 VanDerWaalsContact O-N 3.11Å; C292-L295 PolarHBondContact O-N 3.47Å; T293-L295 VanDerWaalsContact C-N 3.34Å; T293-L295 PolarHBondContact O-N 3.08Å; L295-L298 PolarHBondContact O-N 3.48Å; L295-V299 VanDerWaalsContact O-CG2 3.29Å; L295-V299 WeakPolarHBondContact O-CG2 3.5Å; L295-V299 PolarHBondContact O-N 3.05Å
296I95.8Very high95.6Very high39 Ų3930.7 Ų30.720%0.217%0.169CC..Hα-helixtrans-64.2-43.6178.7-70.2166.6000110.8F34 I38 I185 C292 T293 L298 V299 M300F34-I296 HydrophobicContact CE1-CB 4.09Å; F34-I296 HydrophobicContact CE1-CD1 3.97Å; F34-I296 HydrophobicContact CE1-CG2 3.79Å; F34-I296 HydrophobicContact CZ-CD1 3.53Å; F34-I296 HydrophobicContact CZ-CG2 4.33Å; I38-I296 HydrophobicContact CD1-CG2 3.71Å; I185-I296 HydrophobicContact CD1-CG2 4.4Å; I185-I296 HydrophobicContact CG2-CG2 4.17Å; C292-I296 WeakPolarHBondContact O-CG1 3.34Å; C292-I296 PolarHBondContact O-N 3.32Å; T293-I296 PolarHBondContact O-N 3.43Å; I296-L298 PolarHBondContact O-N 3.22Å; I296-V299 PolarHBondContact O-N 3.4Å; I296-M300 HydrophobicContact CG2-CG 4.13Å; I296-M300 WeakPolarHBondContact O-CB 3.27Å; I296-M300 WeakPolarHBondContact O-CG 3.38Å; I296-M300 PolarHBondContact O-N 3.33Å
297Y95.5Very high95.4Very high0 Ų030.6 Ų30.60%017%0.168CC..Hα-helixtrans-61.2-44.4175.6-85.3-61.8000112.2Q33 F34 V37 I38 L42 L58 Y62 V262 T293 L294 M300 M301Q33-Y297 PolarHBondContact O-OH 3.1Å; F34-Y297 WeakPolarHBondContact CA-OH 3.47Å; F34-Y297 PolarHBondContact O-OH 3.4Å; F34-Y297 VanDerWaalsContact O-OH 3.11Å; V37-Y297 HydrophobicContact CG1-CE1 4.18Å; I38-Y297 HydrophobicContact CB-CE1 3.84Å; I38-Y297 HydrophobicContact CG1-CE1 4.13Å; L42-Y297 HydrophobicContact CD1-CD1 4.01Å; L42-Y297 HydrophobicContact CD1-CE1 4.37Å; L58-Y297 HydrophobicContact CD1-CG 4.37Å; Y62-Y297 WeakPolarHBondContact OH-CD2 3.46Å; V262-Y297 HydrophobicContact CG1-CE2 4.34Å; T293-Y297 WeakPolarHBondContact O-CB 3.39Å; T293-Y297 WeakPolarHBondContact O-CD2 3.47Å; T293-Y297 PolarHBondContact O-N 3.48Å; L294-Y297 PolarHBondContact O-N 2.95Å; Y297-M300 PolarHBondContact O-N 3.46Å; Y297-M301 WeakPolarHBondContact O-CB 3.29Å; Y297-M301 WeakPolarHBondContact O-CG 3.21Å; Y297-M301 PolarHBondContact O-N 3.01Å
298L95.8Very high95.2Very high31 Ų3128.3 Ų28.316%0.16216%0.157CC..Hα-helixtrans-60.6-47.9177.2-75.6172.1000111.8I55 L58 F59 L294 L295 I296 M301 I302I55-L298 HydrophobicContact CG1-CD2 4.13Å; I55-L298 HydrophobicContact CG2-CD2 4.11Å; L58-L298 HydrophobicContact CD2-CD2 3.84Å; L58-L298 HydrophobicContact CD2-CG 3.98Å; F59-L298 HydrophobicContact CE2-CD2 4.25Å; F59-L298 HydrophobicContact CZ-CD1 4.17Å; F59-L298 HydrophobicContact CZ-CD2 4.47Å; L294-L298 HydrophobicContact CD1-CD1 4.36Å; L294-L298 HydrophobicContact CD1-CG 4.49Å; L294-L298 HydrophobicContact CG-CD1 4.18Å; L294-L298 WeakPolarHBondContact O-CB 3.49Å; L294-L298 WeakPolarHBondContact O-CG 3.49Å; L294-L298 PolarHBondContact O-N 3.48Å; L295-L298 PolarHBondContact O-N 3.48Å; I296-L298 PolarHBondContact O-N 3.22Å; L298-M301 PolarHBondContact O-N 3.29Å; L298-I302 WeakPolarHBondContact O-CD1 3.34Å; L298-I302 VanDerWaalsContact O-CG1 3.28Å; L298-I302 WeakPolarHBondContact O-CG1 3.22Å; L298-I302 PolarHBondContact O-N 3.16Å
299V96Very high95.1Very high61 Ų6126.8 Ų26.837%0.3715%0.146SC..Hα-helixtrans-58.9-52.5176.51720000109.8F189 L295 I296 M301 I302 F303F189-V299 HydrophobicContact CD2-CG1 3.72Å; F189-V299 HydrophobicContact CE2-CG1 3.37Å; F189-V299 HydrophobicContact CZ-CG1 4.31Å; L295-V299 VanDerWaalsContact O-CG2 3.29Å; L295-V299 WeakPolarHBondContact O-CG2 3.5Å; L295-V299 PolarHBondContact O-N 3.05Å; I296-V299 PolarHBondContact O-N 3.4Å; V299-M301 VanDerWaalsContact C-N 3.3Å; V299-M301 PolarHBondContact O-N 3.5Å; V299-I302 PolarHBondContact O-N 3.29Å; V299-F303 HydrophobicContact CG1-CD2 3.88Å; V299-F303 HydrophobicContact CG1-CE2 4.11Å; V299-F303 VanDerWaalsContact O-CD2 3.28Å; V299-F303 WeakPolarHBondContact O-CD2 3.35Å; V299-F303 PolarHBondContact O-N 3.28Å
300M94.8Very high94.8Very high2 Ų228.2 Ų28.21%0.0115%0.151CC..Hα-helixtrans-61.3-37.3-179.1-67.7-62-63.500112.5I38 L42 V188 F192 I296 Y297 S304 M320I38-M300 HydrophobicContact CD1-CG 4.35Å; L42-M300 HydrophobicContact CD2-CB 3.58Å; V188-M300 HydrophobicContact CB-CE 4.49Å; V188-M300 HydrophobicContact CG1-CE 3.72Å; F192-M300 HydrophobicContact CE2-CE 3.67Å; F192-M300 HydrophobicContact CE2-SD 3.94Å; F192-M300 HydrophobicContact CZ-CE 3.9Å; I296-M300 HydrophobicContact CG2-CG 4.13Å; I296-M300 WeakPolarHBondContact O-CB 3.27Å; I296-M300 WeakPolarHBondContact O-CG 3.38Å; I296-M300 PolarHBondContact O-N 3.33Å; Y297-M300 PolarHBondContact O-N 3.46Å; M300-S304 WeakPolarHBondContact O-CB 3.28Å; M300-S304 PolarHBondContact O-N 2.88Å; M300-S304 PolarHBondContact O-OG 2.98Å; M300-M320 HydrophobicContact CE-CE 3.56Å; M300-M320 HydrophobicContact CE-SD 4Å
301M95.1Very high94.6Very high0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-65.9-48.8177.5-75.3-178.9-177.600112.3L42 I46 L51 L58 L258 Y297 L298 V299 S304 A305L42-M301 HydrophobicContact CD1-CE 3.69Å; L42-M301 HydrophobicContact CD1-CG 3.61Å; L42-M301 HydrophobicContact CD2-CG 4.5Å; L42-M301 HydrophobicContact CG-CG 4.26Å; I46-M301 HydrophobicContact CD1-CB 4.21Å; I46-M301 HydrophobicContact CD1-CG 4.21Å; I46-M301 HydrophobicContact CG1-CG 4.37Å; L51-M301 HydrophobicContact CD1-CB 4.1Å; L58-M301 HydrophobicContact CB-CE 4.38Å; L58-M301 HydrophobicContact CD1-CE 4.08Å; L58-M301 HydrophobicContact CD2-CE 4.14Å; L58-M301 HydrophobicContact CD2-SD 4.02Å; L58-M301 HydrophobicContact CG-CE 4.44Å; L258-M301 HydrophobicContact CD1-CE 4.31Å; Y297-M301 WeakPolarHBondContact O-CB 3.29Å; Y297-M301 WeakPolarHBondContact O-CG 3.21Å; Y297-M301 PolarHBondContact O-N 3.01Å; L298-M301 PolarHBondContact O-N 3.29Å; V299-M301 VanDerWaalsContact C-N 3.3Å; V299-M301 PolarHBondContact O-N 3.5Å; M301-S304 PolarHBondContact O-N 3.21Å; M301-A305 WeakPolarHBondContact O-CB 3.21Å; M301-A305 PolarHBondContact O-N 2.78Å
302I95.4Very high94.4Very high70 Ų7028 Ų2836%0.35914%0.143SC..Hα-helixtrans-62.5-47.5-178.1-67.9166.1000110.5L51 I55 F231 L298 V299 A305 A306L51-I302 HydrophobicContact CD1-CG1 4.37Å; I55-I302 HydrophobicContact CD1-CG1 4.35Å; F231-I302 HydrophobicContact CE2-CG2 4.37Å; L298-I302 WeakPolarHBondContact O-CD1 3.34Å; L298-I302 VanDerWaalsContact O-CG1 3.28Å; L298-I302 WeakPolarHBondContact O-CG1 3.22Å; L298-I302 PolarHBondContact O-N 3.16Å; V299-I302 PolarHBondContact O-N 3.29Å; I302-A305 PolarHBondContact O-N 2.98Å; I302-A306 WeakPolarHBondContact O-CB 3.48Å; I302-A306 PolarHBondContact O-N 3.38Å
303F94.7Very high94.1Very high51 Ų5126 Ų2622%0.22413%0.13CC..Hα-helixtrans-70.3-34.3-179.5-80.6-89.9000112.7F189 F192 F193 L226 V299 A306 S307F189-F303 HydrophobicContact CE2-CD1 4.27Å; F189-F303 AromaticContact CE2-CD2 3.69Å; F189-F303 HydrophobicContact CE2-CD2 3.69Å; F189-F303 HydrophobicContact CE2-CE1 4.28Å; F189-F303 AromaticContact CE2-CE2 3.68Å; F189-F303 HydrophobicContact CE2-CE2 3.68Å; F189-F303 AromaticContact CE2-CG 3.99Å; F189-F303 HydrophobicContact CE2-CG 3.99Å; F189-F303 AromaticContact CE2-CZ 3.99Å; F189-F303 HydrophobicContact CE2-CZ 3.99Å; F189-F303 HydrophobicContact CZ-CE1 4.42Å; F189-F303 HydrophobicContact CZ-CE2 4.09Å; F189-F303 HydrophobicContact CZ-CZ 4.04Å; F192-F303 HydrophobicContact CB-CB 4.41Å; F192-F303 HydrophobicContact CB-CD1 4.38Å; F192-F303 HydrophobicContact CD2-CB 3.7Å; F192-F303 HydrophobicContact CE2-CB 4.06Å; F192-F303 HydrophobicContact CG-CB 3.99Å; F193-F303 HydrophobicContact CE1-CE1 4.05Å; F193-F303 HydrophobicContact CE2-CE1 4.14Å; F193-F303 HydrophobicContact CZ-CD1 4.21Å; F193-F303 AromaticContact CZ-CE1 3.46Å; F193-F303 HydrophobicContact CZ-CE1 3.46Å; F193-F303 VanDerWaalsContact CZ-CE1 3.46Å; F193-F303 HydrophobicContact CZ-CZ 4.11Å; L226-F303 HydrophobicContact CD1-CE1 4.45Å; L226-F303 HydrophobicContact CD2-CD1 3.9Å; L226-F303 HydrophobicContact CD2-CE1 4.22Å; V299-F303 HydrophobicContact CG1-CD2 3.88Å; V299-F303 HydrophobicContact CG1-CE2 4.11Å; V299-F303 VanDerWaalsContact O-CD2 3.28Å; V299-F303 WeakPolarHBondContact O-CD2 3.35Å; V299-F303 PolarHBondContact O-N 3.28Å; F303-A306 PolarHBondContact O-N 2.91Å; F303-S307 WeakPolarHBondContact O-CB 3.42Å; F303-S307 PolarHBondContact O-N 3.04Å; F303-S307 VanDerWaalsContact O-N 3.1Å; F303-S307 PolarHBondContact O-OG 3.13Å
304S93.6Very high93.9Very high0 Ų027.2 Ų27.20%014%0.136CC..Hα-helixtrans-64.3-42.6173.6-63.20000111.7F192 M300 M301 A306 N308F192-S304 VanDerWaalsContact CZ-OG 3.28Å; F192-S304 WeakPolarHBondContact CZ-OG 3.29Å; M300-S304 WeakPolarHBondContact O-CB 3.28Å; M300-S304 PolarHBondContact O-N 2.88Å; M300-S304 PolarHBondContact O-OG 2.98Å; M301-S304 PolarHBondContact O-N 3.21Å; S304-A306 VanDerWaalsContact C-N 3.35Å; S304-N308 WeakPolarHBondContact O-CB 3.41Å; S304-N308 PolarHBondContact O-N 3.03Å; S304-N308 PolarHBondContact O-ND2 3.5Å
305A94.5Very high93.6Very high0 Ų026.7 Ų26.70%013%0.134CC..Hα-helixtrans-68.6-31.217700000113I46 L51 N234 M301 I302I46-A305 HydrophobicContact CG2-CB 3.96Å; L51-A305 HydrophobicContact CB-CB 4.07Å; L51-A305 HydrophobicContact CD1-CB 3.93Å; L51-A305 HydrophobicContact CD2-CB 3.96Å; L51-A305 HydrophobicContact CG-CB 4.21Å; N234-A305 HydrophobicContact CB-CB 4.07Å; N234-A305 PolarHBondContact ND2-O 3.16Å; M301-A305 WeakPolarHBondContact O-CB 3.21Å; M301-A305 PolarHBondContact O-N 2.78Å; I302-A305 PolarHBondContact O-N 2.98Å
306A94.2Very high93.3Very high13 Ų1322.3 Ų22.311%0.10711%0.11CC..Hα-helixtrans-77.3-26.8178.500000113.9L226 N227 F231 I302 F303 S304L226-A306 HydrophobicContact CD2-CB 3.86Å; N227-A306 PolarHBondContact N-O 2.96Å; N227-A306 VanDerWaalsContact N-O 3.12Å; F231-A306 HydrophobicContact CB-CB 4.44Å; F231-A306 HydrophobicContact CD2-CB 3.85Å; I302-A306 WeakPolarHBondContact O-CB 3.48Å; I302-A306 PolarHBondContact O-N 3.38Å; F303-A306 PolarHBondContact O-N 2.91Å; S304-A306 VanDerWaalsContact C-N 3.35Å
307S93Very high92.8Very high0 Ų020.8 Ų20.80%010%0.103CC..Hα-helixtrans-106.6-18.1-168-43.70000115.4F223 T224 G225 L226 F303F223-S307 VanDerWaalsContact CD2-O 3.24Å; F223-S307 WeakPolarHBondContact CD2-O 3.26Å; T224-S307 PolarHBondContact N-O 3.33Å; T224-S307 VanDerWaalsContact N-O 3.11Å; T224-S307 PolarHBondContact OG1-O 3.36Å; G225-S307 PolarHBondContact N-O 2.71Å; G225-S307 WeakPolarHBondContact O-CA 3.33Å; L226-S307 WeakPolarHBondContact CD2-OG 3.47Å; F303-S307 WeakPolarHBondContact O-CB 3.42Å; F303-S307 PolarHBondContact O-N 3.04Å; F303-S307 VanDerWaalsContact O-N 3.1Å; F303-S307 PolarHBondContact O-OG 3.13Å
308N92.5Very high92.4Very high0 Ų021.3 Ų21.30%011%0.105CC..BIsolated β-bridgetrans-120.3131.2-171.3-60.9-84.7000110.8F223 T230 N234 S304 L312 L313 F319F223-N308 WeakPolarHBondContact CD2-OD1 3.27Å; T230-N308 WeakPolarHBondContact CG2-O 3.31Å; N234-N308 PolarHBondContact ND2-O 3.3Å; S304-N308 WeakPolarHBondContact O-CB 3.41Å; S304-N308 PolarHBondContact O-N 3.03Å; S304-N308 PolarHBondContact O-ND2 3.5Å; N308-L312 HydrophobicContact CB-CD2 4.2Å; N308-L313 HydrophobicContact CB-CD1 4.21Å; N308-L313 HydrophobicContact CB-CD2 3.69Å; N308-L313 HydrophobicContact CB-CG 3.81Å; N308-F319 WeakPolarHBondContact OD1-CD2 3.36Å
309S92.7Very high92.1Very high13 Ų1319.8 Ų19.89%0.09110%0.098CC..  trans-59.4146.817262.40000111.2E222 Y311 L312 L313E222-S309 WeakPolarHBondContact O-CB 3.49Å; E222-S309 PolarHBondContact O-N 3.19Å; E222-S309 PolarHBondContact O-OG 2.74Å; S309-Y311 PolarHBondContact O-N 2.78Å; S309-L312 WeakPolarHBondContact O-CB 3.49Å; S309-L312 PolarHBondContact O-N 3.26Å; S309-L312 WeakPolarHBondContact OG-CB 3.25Å; S309-L312 PolarHBondContact OG-N 2.71Å; S309-L313 PolarHBondContact O-N 3.21Å
310R91.2Very high91.8Very high31 Ų3116.9 Ų16.912%0.1178%0.08CC..Hα-helixtrans-57-39.5179-166.1177.6-165.3130.112.5112.2A47 E233 N234 Y236 L312 L313 L314A47-R310 PolarHBondContact O-NE 2.99Å; A47-R310 PolarHBondContact O-NH2 3.25Å; E233-R310 PolarHBondContact O-NH1 3.06Å; E233-R310 VanDerWaalsContact O-NH1 3.1Å; N234-R310 VanDerWaalsContact OD1-CA 3.32Å; N234-R310 WeakPolarHBondContact OD1-CA 3.4Å; N234-R310 WeakPolarHBondContact OD1-CB 3.23Å; Y236-R310 VanDerWaalsContact O-CZ 3.27Å; Y236-R310 PolarHBondContact O-NH1 2.57Å; Y236-R310 PolarHBondContact O-NH2 3.43Å; R310-L312 VanDerWaalsContact C-N 3.27Å; R310-L312 PolarHBondContact O-N 3Å; R310-L313 PolarHBondContact O-N 3.37Å; R310-L314 HydrophobicContact CG-CD1 4.29Å; R310-L314 HydrophobicContact CG-CG 4.47Å; R310-L314 WeakPolarHBondContact O-CG 3.46Å; R310-L314 PolarHBondContact O-N 3.45Å
311Y91.3Very high91.6Very high110 Ų11016.9 Ų16.943%0.4318%0.08SC..Hα-helixtrans-59.9-37.6178.1-176-103.8000112.2L201 A221 S309 N315L201-Y311 HydrophobicContact CD1-CE1 3.81Å; A221-Y311 HydrophobicContact CB-CD1 3.83Å; A221-Y311 HydrophobicContact CB-CE1 4.24Å; S309-Y311 PolarHBondContact O-N 2.78Å; Y311-N315 VanDerWaalsContact CD2-ND2 3.33Å; Y311-N315 WeakPolarHBondContact CD2-ND2 3.36Å; Y311-N315 WeakPolarHBondContact CE2-ND2 3.13Å; Y311-N315 WeakPolarHBondContact O-CB 3.35Å; Y311-N315 PolarHBondContact O-N 2.97Å; Y311-N315 PolarHBondContact O-ND2 3.03Å
312L91.4Very high91.2Very high0 Ų017.5 Ų17.50%08%0.084CC..Hα-helixtrans-67.8-44.6175.4-173.4155.5000111.6I199 A221 E222 F223 N308 S309 R310 L314 N315 N316 F319I199-L312 HydrophobicContact CB-CD1 3.95Å; I199-L312 HydrophobicContact CD1-CD1 4.03Å; I199-L312 HydrophobicContact CG1-CD1 4.19Å; I199-L312 HydrophobicContact CG2-CD1 4.46Å; A221-L312 HydrophobicContact CB-CB 3.71Å; A221-L312 HydrophobicContact CB-CD1 4.1Å; A221-L312 HydrophobicContact CB-CG 3.99Å; E222-L312 WeakPolarHBondContact O-CD1 3.33Å; F223-L312 HydrophobicContact CB-CD1 4.33Å; N308-L312 HydrophobicContact CB-CD2 4.2Å; S309-L312 WeakPolarHBondContact O-CB 3.49Å; S309-L312 PolarHBondContact O-N 3.26Å; S309-L312 WeakPolarHBondContact OG-CB 3.25Å; S309-L312 PolarHBondContact OG-N 2.71Å; R310-L312 VanDerWaalsContact C-N 3.27Å; R310-L312 PolarHBondContact O-N 3Å; L312-L314 PolarHBondContact O-N 3.5Å; L312-N315 PolarHBondContact O-N 2.75Å; L312-N316 WeakPolarHBondContact O-CB 3.46Å; L312-N316 PolarHBondContact O-N 3.41Å; L312-F319 HydrophobicContact CD2-CB 3.42Å; L312-F319 VanDerWaalsContact CD2-CB 3.42Å; L312-F319 HydrophobicContact CD2-CD2 4.27Å; L312-F319 HydrophobicContact CD2-CG 4.09Å
313L91.7Very high90.9Very high0 Ų014.5 Ų14.50%07%0.069CC..Hα-helixtrans-67.1-34.1-179.7-62.5175.5000113I46 A47 N308 S309 R310 F319I46-L313 HydrophobicContact CB-CD1 4.38Å; I46-L313 HydrophobicContact CG2-CD1 3.88Å; A47-L313 HydrophobicContact CB-CB 3.63Å; N308-L313 HydrophobicContact CB-CD1 4.21Å; N308-L313 HydrophobicContact CB-CD2 3.69Å; N308-L313 HydrophobicContact CB-CG 3.81Å; S309-L313 PolarHBondContact O-N 3.21Å; R310-L313 PolarHBondContact O-N 3.37Å; L313-F319 HydrophobicContact CD2-CD1 4.05Å; L313-F319 HydrophobicContact CD2-CD2 4Å; L313-F319 HydrophobicContact CD2-CE1 4.03Å; L313-F319 HydrophobicContact CD2-CE2 3.96Å; L313-F319 HydrophobicContact CD2-CG 4.04Å; L313-F319 HydrophobicContact CD2-CZ 3.96Å
314L90.4Very high90.6Very high25 Ų2512.5 Ų12.513%0.1316%0.061CC..Hα-helixtrans-71.1-38.1176.8-75.2174.2000112.7A47 S240 Y243 R310 L312A47-L314 HydrophobicContact CB-CB 4.41Å; A47-L314 HydrophobicContact CB-CD2 3.48Å; A47-L314 VanDerWaalsContact CB-CD2 3.48Å; A47-L314 HydrophobicContact CB-CG 3.77Å; S240-L314 WeakPolarHBondContact OG-CD2 3.37Å; Y243-L314 WeakPolarHBondContact CD1-O 3.43Å; Y243-L314 VanDerWaalsContact CE1-O 3.3Å; Y243-L314 WeakPolarHBondContact CE1-O 3.48Å; R310-L314 HydrophobicContact CG-CD1 4.29Å; R310-L314 HydrophobicContact CG-CG 4.47Å; R310-L314 WeakPolarHBondContact O-CG 3.46Å; R310-L314 PolarHBondContact O-N 3.45Å; L312-L314 PolarHBondContact O-N 3.5Å
315N89.8Confident90.2Very high18 Ų1818.6 Ų18.610%0.0969%0.088CC..Hα-helixtrans-101.6-6.1-169.6-68-56.7000114.3L201 P202 N205 T208 Y311 L312L201-N315 HydrophobicContact CD1-CB 3.99Å; L201-N315 HydrophobicContact CD2-CB 3.75Å; L201-N315 HydrophobicContact CG-CB 4.49Å; P202-N315 WeakPolarHBondContact CD-O 3.47Å; N205-N315 WeakPolarHBondContact ND2-CA 3.16Å; N205-N315 VanDerWaalsContact ND2-CB 3.34Å; N205-N315 WeakPolarHBondContact ND2-CB 3.33Å; N205-N315 PolarHBondContact ND2-O 3.31Å; N205-N315 VanDerWaalsContact ND2-O 3.17Å; N205-N315 PolarHBondContact ND2-OD1 3.03Å; T208-N315 HydrophobicContact CG2-CB 4.07Å; T208-N315 VanDerWaalsContact CG2-CG 3.48Å; T208-N315 VanDerWaalsContact CG2-OD1 3.25Å; T208-N315 WeakPolarHBondContact CG2-OD1 3.29Å; Y311-N315 VanDerWaalsContact CD2-ND2 3.33Å; Y311-N315 WeakPolarHBondContact CD2-ND2 3.36Å; Y311-N315 WeakPolarHBondContact CE2-ND2 3.13Å; Y311-N315 WeakPolarHBondContact O-CB 3.35Å; Y311-N315 PolarHBondContact O-N 2.97Å; Y311-N315 PolarHBondContact O-ND2 3.03Å; L312-N315 PolarHBondContact O-N 2.75Å
316N89Confident89.9Confident4 Ų425.8 Ų25.82%0.02112%0.115CC..  trans-140104.2178.4-172.5-2000112.1L201 P202 L312 I318 F319L201-N316 HydrophobicContact CD2-CB 4.04Å; P202-N316 HydrophobicContact CG-CB 4.43Å; L312-N316 WeakPolarHBondContact O-CB 3.46Å; L312-N316 PolarHBondContact O-N 3.41Å; N316-I318 PolarHBondContact O-N 2.88Å; N316-I318 WeakPolarHBondContact OD1-CA 3.42Å; N316-I318 PolarHBondContact OD1-N 3.49Å; N316-F319 HydrophobicContact CB-CB 4.49Å; N316-F319 PolarHBondContact O-N 2.72Å; N316-F319 PolarHBondContact OD1-N 3.17Å
317N85.4Confident89.6Confident7 Ų728.4 Ų28.44%0.03713%0.125CC..THydrogen-bonded Turntrans-73.1-19.6179.1-75.9-16.1000112.1L40 Y243 T244L40-N317 CarbonylContact C-O 3.54Å; L40-N317 VanDerWaalsContact O-O 3.12Å; Y243-N317 WeakPolarHBondContact OH-CB 3.48Å; Y243-N317 PolarHBondContact OH-N 3.23Å; Y243-N317 PolarHBondContact OH-ND2 3.4Å; T244-N317 VanDerWaalsContact CG2-ND2 3.34Å; T244-N317 WeakPolarHBondContact CG2-ND2 3.16Å
318I87.2Confident89.6Confident11 Ų1129.9 Ų29.96%0.05614%0.135CC..THydrogen-bonded Turntrans-107.225.1-176.3-32.2175.6000110.1L40 I127 N316 M320 Q321 S322L40-I318 HydrophobicContact CD2-CG1 4.24Å; L40-I318 HydrophobicContact CD2-CG2 4.04Å; I127-I318 HydrophobicContact CB-CD1 4Å; I127-I318 HydrophobicContact CD1-CD1 3.63Å; I127-I318 HydrophobicContact CG1-CD1 4.28Å; I127-I318 HydrophobicContact CG2-CD1 3.23Å; N316-I318 PolarHBondContact O-N 2.88Å; N316-I318 WeakPolarHBondContact OD1-CA 3.42Å; N316-I318 PolarHBondContact OD1-N 3.49Å; I318-M320 PolarHBondContact O-N 3.03Å; I318-Q321 HydrophobicContact CG2-CB 3.64Å; I318-Q321 VanDerWaalsContact CG2-OE1 3.31Å; I318-Q321 WeakPolarHBondContact O-CB 3.35Å; I318-Q321 PolarHBondContact O-N 3.45Å; I318-S322 PolarHBondContact O-N 3.17Å
319F89.5Confident89.6Confident0 Ų031.1 Ų31.10%014%0.141CC..Hα-helixtrans-53.5-33.9-178.477.2-78.8000112.9F192 N308 L312 L313 N316 Q321 S322 I323F192-F319 HydrophobicContact CE1-CE2 4.42Å; N308-F319 WeakPolarHBondContact OD1-CD2 3.36Å; L312-F319 HydrophobicContact CD2-CB 3.42Å; L312-F319 VanDerWaalsContact CD2-CB 3.42Å; L312-F319 HydrophobicContact CD2-CD2 4.27Å; L312-F319 HydrophobicContact CD2-CG 4.09Å; L313-F319 HydrophobicContact CD2-CD1 4.05Å; L313-F319 HydrophobicContact CD2-CD2 4Å; L313-F319 HydrophobicContact CD2-CE1 4.03Å; L313-F319 HydrophobicContact CD2-CE2 3.96Å; L313-F319 HydrophobicContact CD2-CG 4.04Å; L313-F319 HydrophobicContact CD2-CZ 3.96Å; N316-F319 HydrophobicContact CB-CB 4.49Å; N316-F319 PolarHBondContact O-N 2.72Å; N316-F319 PolarHBondContact OD1-N 3.17Å; F319-Q321 PolarHBondContact O-N 2.86Å; F319-S322 PolarHBondContact O-N 3.14Å; F319-I323 HydrophobicContact CD2-CD1 4.23Å; F319-I323 HydrophobicContact CE2-CD1 4.21Å; F319-I323 PolarHBondContact O-N 3.36Å
320M90.1Very high89.5Confident0 Ų030.5 Ų30.50%014%0.137CC..Hα-helixtrans-57.9-37.5177.5-70.3-163177.800112.5I38 F39 L42 V188 M300 I318 I323 S324 V330I38-M320 WeakPolarHBondContact O-CE 3.48Å; F39-M320 HydrophobicContact CD1-SD 3.88Å; L42-M320 HydrophobicContact CB-CE 3.98Å; L42-M320 HydrophobicContact CD2-CE 3.37Å; L42-M320 HydrophobicContact CG-CE 4.27Å; V188-M320 HydrophobicContact CG1-CB 4.42Å; V188-M320 HydrophobicContact CG1-CG 4.37Å; V188-M320 HydrophobicContact CG1-SD 4.02Å; M300-M320 HydrophobicContact CE-CE 3.56Å; M300-M320 HydrophobicContact CE-SD 4Å; I318-M320 PolarHBondContact O-N 3.03Å; M320-I323 VanDerWaalsContact O-CG1 3.32Å; M320-I323 WeakPolarHBondContact O-CG1 3.49Å; M320-S324 WeakPolarHBondContact O-CB 3.46Å; M320-S324 PolarHBondContact O-N 3.16Å; M320-V330 HydrophobicContact CB-CG1 4.19Å
321Q90.3Very high89.5Confident1 Ų129.3 Ų29.31%0.00513%0.133CC..Hα-helixtrans-66.2-41175.5179.5178-19.400110.9N128 I318 F319 Q327 V330 V331N128-Q321 PolarHBondContact OD1-NE2 3.28Å; N128-Q321 PolarHBondContact OD1-OE1 3.48Å; I318-Q321 HydrophobicContact CG2-CB 3.64Å; I318-Q321 VanDerWaalsContact CG2-OE1 3.31Å; I318-Q321 WeakPolarHBondContact O-CB 3.35Å; I318-Q321 PolarHBondContact O-N 3.45Å; F319-Q321 PolarHBondContact O-N 2.86Å; Q321-Q327 HydrophobicContact CG-CB 4.09Å; Q321-Q327 WeakPolarHBondContact O-CG 3.15Å; Q321-V330 HydrophobicContact CB-CB 4.07Å; Q321-V330 HydrophobicContact CB-CG1 4.07Å; Q321-V330 HydrophobicContact CG-CB 4.47Å; Q321-V331 VanDerWaalsContact CD-CG2 3.47Å; Q321-V331 HydrophobicContact CG-CG2 4.22Å
322S87.7Confident89.6Confident13 Ų1327.7 Ų27.79%0.09113%0.131CC..Hα-helixtrans-73.8-31.3-176.6-55.90000114.2I318 F319I318-S322 PolarHBondContact O-N 3.17Å; F319-S322 PolarHBondContact O-N 3.14Å
323I88.7Confident89.7Confident8 Ų827.7 Ų27.74%0.04113%0.131CC..Hα-helixtrans-79.9-21.8177.164174.8000112.7F192 L194 I199 F223 F319 M320F192-I323 HydrophobicContact CD1-CD1 3.92Å; F192-I323 HydrophobicContact CE1-CD1 3.58Å; F192-I323 HydrophobicContact CZ-CD1 4.29Å; L194-I323 WeakPolarHBondContact CD1-O 3.37Å; I199-I323 HydrophobicContact CD1-CB 4.27Å; I199-I323 HydrophobicContact CD1-CG2 3.25Å; F223-I323 HydrophobicContact CB-CG2 4.42Å; F223-I323 HydrophobicContact CD2-CB 4.33Å; F223-I323 HydrophobicContact CD2-CG2 3.48Å; F223-I323 VanDerWaalsContact CD2-CG2 3.48Å; F223-I323 HydrophobicContact CE2-CB 4.26Å; F223-I323 HydrophobicContact CE2-CG2 3.85Å; F223-I323 HydrophobicContact CG-CG2 4.02Å; F319-I323 HydrophobicContact CD2-CD1 4.23Å; F319-I323 HydrophobicContact CE2-CD1 4.21Å; F319-I323 PolarHBondContact O-N 3.36Å; M320-I323 VanDerWaalsContact O-CG1 3.32Å; M320-I323 WeakPolarHBondContact O-CG1 3.49Å
324S87.8Confident89.8Confident9 Ų927.9 Ų27.96%0.06313%0.132CC..SBendtrans-69.7148.3-170-165.70000113.1S191 M320 W326 I329S191-S324 WeakPolarHBondContact OG-CA 3.47Å; S191-S324 PolarHBondContact OG-OG 3.29Å; M320-S324 WeakPolarHBondContact O-CB 3.46Å; M320-S324 PolarHBondContact O-N 3.16Å; S324-W326 PolarHBondContact O-N 3.23Å; S324-I329 WeakPolarHBondContact OG-CG2 3.39Å
325F86.7Confident89.9Confident127 Ų12729.2 Ų29.256%0.55714%0.137SC*.SBendtrans-49.7-40.7174.5-64-81.6000113A190 S191 L194A190-F325 HydrophobicContact CB-CE2 3.82Å; A190-F325 HydrophobicContact CB-CZ 4.44Å; S191-F325 VanDerWaalsContact OG-CD2 3.23Å; S191-F325 WeakPolarHBondContact OG-CD2 3.27Å; S191-F325 PolarHBondContact OG-N 3.02Å; L194-F325 HydrophobicContact CD1-CD1 3.92Å; L194-F325 HydrophobicContact CD1-CE1 3.89Å; L194-F325 HydrophobicContact CD1-CE2 4.49Å; L194-F325 HydrophobicContact CD1-CG 4.26Å; L194-F325 HydrophobicContact CD1-CZ 4.16Å; L194-F325 HydrophobicContact CD2-CD1 3.84Å; L194-F325 HydrophobicContact CD2-CE1 3.22Å; L194-F325 HydrophobicContact CD2-CZ 3.83Å; L194-F325 HydrophobicContact CG-CD1 4.26Å; L194-F325 HydrophobicContact CG-CE1 3.72Å; L194-F325 HydrophobicContact CG-CZ 3.88Å
326W87.5Confident90.1Very high152 Ų15229 Ų2958%0.57614%0.138SC*.SBendtrans-134.2100.9-179.3-171.254.5000109.3S324 P328 I329 I332S324-W326 PolarHBondContact O-N 3.23Å; W326-P328 VanDerWaalsContact C-N 3.31Å; W326-P328 HydrophobicContact CD2-CB 4.12Å; W326-P328 HydrophobicContact CD2-CG 4.09Å; W326-P328 HydrophobicContact CE3-CB 4.22Å; W326-P328 HydrophobicContact CH2-CB 3.83Å; W326-P328 HydrophobicContact CH2-CG 4.37Å; W326-P328 HydrophobicContact CZ2-CB 3.74Å; W326-P328 HydrophobicContact CZ2-CG 3.75Å; W326-P328 HydrophobicContact CZ3-CB 4.08Å; W326-P328 VanDerWaalsContact O-N 3.12Å; W326-I329 HydrophobicContact CE3-CB 3.86Å; W326-I329 HydrophobicContact CE3-CD1 4.49Å; W326-I329 HydrophobicContact CE3-CG1 4.41Å; W326-I329 VanDerWaalsContact O-CB 3.29Å; W326-I329 WeakPolarHBondContact O-CB 3.36Å; W326-I329 WeakPolarHBondContact O-CG2 3.31Å; W326-I329 PolarHBondContact O-N 3.38Å; W326-I332 HydrophobicContact CH2-CD1 4.41Å; W326-I332 HydrophobicContact CZ3-CD1 4.06Å
327Q88.5Confident90.3Very high67 Ų6728.8 Ų28.831%0.31314%0.137SC..Hα-helixtrans-48.3-42.1-173.7-58.6-177.3-15.200114.6L135 Q321 I329 V330L135-Q327 HydrophobicContact CD2-CB 4.15Å; Q321-Q327 HydrophobicContact CG-CB 4.09Å; Q321-Q327 WeakPolarHBondContact O-CG 3.15Å; Q327-I329 PolarHBondContact O-N 2.94Å; Q327-I329 VanDerWaalsContact O-N 3.11Å; Q327-V330 PolarHBondContact O-N 2.86Å
328P91.4Very high90.6Very high31 Ų3128.5 Ų28.520%0.20114%0.135CC..Hα-helixtrans-59.2-23.7177.8-24.935.1000114.7L135 W326 V330 V331 I332L135-P328 HydrophobicContact CD1-CB 4.34Å; L135-P328 HydrophobicContact CD1-CG 4.34Å; L135-P328 HydrophobicContact CD2-CG 3.81Å; W326-P328 VanDerWaalsContact C-N 3.31Å; W326-P328 HydrophobicContact CD2-CB 4.12Å; W326-P328 HydrophobicContact CD2-CG 4.09Å; W326-P328 HydrophobicContact CE3-CB 4.22Å; W326-P328 HydrophobicContact CH2-CB 3.83Å; W326-P328 HydrophobicContact CH2-CG 4.37Å; W326-P328 HydrophobicContact CZ2-CB 3.74Å; W326-P328 HydrophobicContact CZ2-CG 3.75Å; W326-P328 HydrophobicContact CZ3-CB 4.08Å; W326-P328 VanDerWaalsContact O-N 3.12Å; P328-V330 VanDerWaalsContact C-N 3.3Å; P328-V330 PolarHBondContact O-N 3.37Å; P328-V331 PolarHBondContact O-N 3.06Å; P328-I332 VanDerWaalsContact O-CG1 3.31Å; P328-I332 WeakPolarHBondContact O-CG1 3.4Å; P328-I332 PolarHBondContact O-N 3.42Å
329I92.2Very high90.9Very high27 Ų2729.6 Ų29.614%0.13814%0.141CC..Hα-helixtrans-62.2-39.4-178.5-152.5157000111.9V184 C187 S324 W326 Q327 I332 G333V184-I329 WeakPolarHBondContact CG1-O 3.24Å; V184-I329 HydrophobicContact CG2-CG1 3.97Å; V184-I329 WeakPolarHBondContact CG2-O 3.47Å; C187-I329 HydrophobicContact CB-CD1 3.82Å; S324-I329 WeakPolarHBondContact OG-CG2 3.39Å; W326-I329 HydrophobicContact CE3-CB 3.86Å; W326-I329 HydrophobicContact CE3-CD1 4.49Å; W326-I329 HydrophobicContact CE3-CG1 4.41Å; W326-I329 VanDerWaalsContact O-CB 3.29Å; W326-I329 WeakPolarHBondContact O-CB 3.36Å; W326-I329 WeakPolarHBondContact O-CG2 3.31Å; W326-I329 PolarHBondContact O-N 3.38Å; Q327-I329 PolarHBondContact O-N 2.94Å; Q327-I329 VanDerWaalsContact O-N 3.11Å; I329-I332 PolarHBondContact O-N 3.16Å; I329-G333 PolarHBondContact O-N 3.42Å
330V91.6Very high91.1Very high0 Ų029.7 Ų29.70%014%0.142CC..Hα-helixtrans-72.6-37.4179.8-178.50000110.3F39 V188 M320 Q321 Q327 P328 I332 G333 V334F39-V330 HydrophobicContact CB-CG1 4.49Å; F39-V330 HydrophobicContact CD1-CG1 4.12Å; F39-V330 HydrophobicContact CG-CG1 4.45Å; V188-V330 HydrophobicContact CG2-CG2 3.63Å; M320-V330 HydrophobicContact CB-CG1 4.19Å; Q321-V330 HydrophobicContact CB-CB 4.07Å; Q321-V330 HydrophobicContact CB-CG1 4.07Å; Q321-V330 HydrophobicContact CG-CB 4.47Å; Q327-V330 PolarHBondContact O-N 2.86Å; P328-V330 VanDerWaalsContact C-N 3.3Å; P328-V330 PolarHBondContact O-N 3.37Å; V330-I332 VanDerWaalsContact C-N 3.35Å; V330-I332 PolarHBondContact O-N 2.78Å; V330-G333 CarbonylContact O-C 3.57Å; V330-G333 WeakPolarHBondContact O-CA 3.08Å; V330-G333 PolarHBondContact O-N 3.23Å; V330-G333 VanDerWaalsContact O-N 3.1Å; V330-V334 HydrophobicContact CG1-CG2 4.31Å; V330-V334 VanDerWaalsContact O-CG2 3.3Å; V330-V334 WeakPolarHBondContact O-CG2 3.23Å; V330-V334 PolarHBondContact O-N 3.17Å
331V92.2Very high91.2Very high6 Ų629.7 Ų29.74%0.03614%0.142CC..Hα-helixtrans-62-44174.9-177.20000110.8N128 L135 Q321 P328 G333 V334 F335N128-V331 HydrophobicContact CB-CG1 4.38Å; N128-V331 VanDerWaalsContact OD1-CG2 3.31Å; N128-V331 WeakPolarHBondContact OD1-CG2 3.48Å; L135-V331 HydrophobicContact CD1-CB 4.25Å; L135-V331 HydrophobicContact CD1-CG1 4.36Å; L135-V331 HydrophobicContact CD1-CG2 3.8Å; Q321-V331 VanDerWaalsContact CD-CG2 3.47Å; Q321-V331 HydrophobicContact CG-CG2 4.22Å; P328-V331 PolarHBondContact O-N 3.06Å; V331-G333 VanDerWaalsContact C-N 3.29Å; V331-G333 PolarHBondContact O-N 3.28Å; V331-V334 PolarHBondContact O-N 3.47Å; V331-F335 HydrophobicContact CG1-CD1 4.22Å; V331-F335 HydrophobicContact CG1-CD2 4.29Å; V331-F335 HydrophobicContact CG1-CE1 3.81Å; V331-F335 HydrophobicContact CG1-CE2 3.88Å; V331-F335 HydrophobicContact CG1-CG 4.45Å; V331-F335 HydrophobicContact CG1-CZ 3.62Å; V331-F335 WeakPolarHBondContact O-CB 3.14Å; V331-F335 WeakPolarHBondContact O-CD1 3.39Å; V331-F335 VanDerWaalsContact O-CG 3.31Å; V331-F335 WeakPolarHBondContact O-CG 3.38Å; V331-F335 PolarHBondContact O-N 3.47Å
332I93Very high91.4Very high76 Ų7629.7 Ų29.739%0.3914%0.141SC..Hα-helixtrans-58-43.6172.5-67.2164.4000110.5V180 W326 P328 I329 V330 F335 A336V180-I332 HydrophobicContact CG1-CG2 3.63Å; W326-I332 HydrophobicContact CH2-CD1 4.41Å; W326-I332 HydrophobicContact CZ3-CD1 4.06Å; P328-I332 VanDerWaalsContact O-CG1 3.31Å; P328-I332 WeakPolarHBondContact O-CG1 3.4Å; P328-I332 PolarHBondContact O-N 3.42Å; I329-I332 PolarHBondContact O-N 3.16Å; V330-I332 VanDerWaalsContact C-N 3.35Å; V330-I332 PolarHBondContact O-N 2.78Å; I332-F335 PolarHBondContact O-N 3.32Å; I332-A336 WeakPolarHBondContact O-CB 3.35Å; I332-A336 PolarHBondContact O-N 2.78Å
333G93.1Very high91.7Very high0 Ų029 Ų290%014%0.137CC..Hα-helixtrans-60.6-51.1175.900000113.3I329 V330 V331 F335 A336 T337I329-G333 PolarHBondContact O-N 3.42Å; V330-G333 CarbonylContact O-C 3.57Å; V330-G333 WeakPolarHBondContact O-CA 3.08Å; V330-G333 PolarHBondContact O-N 3.23Å; V330-G333 VanDerWaalsContact O-N 3.1Å; V331-G333 VanDerWaalsContact C-N 3.29Å; V331-G333 PolarHBondContact O-N 3.28Å; G333-F335 VanDerWaalsContact C-N 3.32Å; G333-F335 PolarHBondContact O-N 3.39Å; G333-A336 PolarHBondContact O-N 2.89Å; G333-T337 WeakPolarHBondContact O-CG2 3.42Å; G333-T337 PolarHBondContact O-N 3.08Å; G333-T337 PolarHBondContact O-OG1 2.94Å; G333-T337 VanDerWaalsContact O-OG1 3.1Å
334V92.6Very high91.9Very high4 Ų428.7 Ų28.72%0.02414%0.136CC..Hα-helixtrans-57.8-45.6177.4173.20000110.5F39 L40 A124 V330 V331 T337 T338F39-V334 HydrophobicContact CB-CG2 3.47Å; F39-V334 VanDerWaalsContact CB-CG2 3.47Å; F39-V334 HydrophobicContact CD2-CG2 4.09Å; F39-V334 HydrophobicContact CG-CG2 4Å; L40-V334 HydrophobicContact CD1-CG1 3.78Å; L40-V334 HydrophobicContact CD2-CG1 4.34Å; L40-V334 HydrophobicContact CD2-CG2 4.08Å; L40-V334 HydrophobicContact CG-CG1 4.07Å; L40-V334 HydrophobicContact CG-CG2 4.16Å; A124-V334 HydrophobicContact CB-CG1 3.45Å; A124-V334 VanDerWaalsContact CB-CG1 3.45Å; V330-V334 HydrophobicContact CG1-CG2 4.31Å; V330-V334 VanDerWaalsContact O-CG2 3.3Å; V330-V334 WeakPolarHBondContact O-CG2 3.23Å; V330-V334 PolarHBondContact O-N 3.17Å; V331-V334 PolarHBondContact O-N 3.47Å; V334-T337 PolarHBondContact O-OG1 3.07Å; V334-T338 HydrophobicContact CG1-CG2 4.44Å; V334-T338 WeakPolarHBondContact O-CB 3.45Å; V334-T338 VanDerWaalsContact O-CG2 3.32Å; V334-T338 WeakPolarHBondContact O-CG2 3.45Å; V334-T338 PolarHBondContact O-N 2.78Å; V334-T338 PolarHBondContact O-OG1 3.34Å
335F93.6Very high92.1Very high53 Ų5328.3 Ų28.323%0.23213%0.133CC..Hα-helixtrans-64-45.3178.3-72.15.6000111.2L121 A124 V125 F129 V331 I332 G333 T338 L339L121-F335 HydrophobicContact CD1-CB 4.01Å; L121-F335 HydrophobicContact CD1-CD1 3.2Å; L121-F335 HydrophobicContact CD1-CE1 3.77Å; L121-F335 HydrophobicContact CD1-CG 3.69Å; A124-F335 HydrophobicContact CB-CD1 4.16Å; A124-F335 HydrophobicContact CB-CE1 3.75Å; V125-F335 HydrophobicContact CB-CZ 4.26Å; V125-F335 HydrophobicContact CG2-CE1 3.7Å; V125-F335 HydrophobicContact CG2-CE2 4.16Å; V125-F335 HydrophobicContact CG2-CZ 3.45Å; V125-F335 VanDerWaalsContact CG2-CZ 3.45Å; F129-F335 HydrophobicContact CD2-CZ 4.33Å; F129-F335 AromaticContact CE2-CE2 3.9Å; F129-F335 HydrophobicContact CE2-CE2 3.9Å; F129-F335 AromaticContact CE2-CZ 3.83Å; F129-F335 HydrophobicContact CE2-CZ 3.83Å; V331-F335 HydrophobicContact CG1-CD1 4.22Å; V331-F335 HydrophobicContact CG1-CD2 4.29Å; V331-F335 HydrophobicContact CG1-CE1 3.81Å; V331-F335 HydrophobicContact CG1-CE2 3.88Å; V331-F335 HydrophobicContact CG1-CG 4.45Å; V331-F335 HydrophobicContact CG1-CZ 3.62Å; V331-F335 WeakPolarHBondContact O-CB 3.14Å; V331-F335 WeakPolarHBondContact O-CD1 3.39Å; V331-F335 VanDerWaalsContact O-CG 3.31Å; V331-F335 WeakPolarHBondContact O-CG 3.38Å; V331-F335 PolarHBondContact O-N 3.47Å; I332-F335 PolarHBondContact O-N 3.32Å; G333-F335 VanDerWaalsContact C-N 3.32Å; G333-F335 PolarHBondContact O-N 3.39Å; F335-T338 PolarHBondContact O-OG1 2.99Å; F335-L339 WeakPolarHBondContact O-CB 2.95Å; F335-L339 PolarHBondContact O-N 2.93Å
336A94.2Very high92.5Very high13 Ų1322.3 Ų22.311%0.10711%0.107CC..Hα-helixtrans-63.6-47179.500000112.4I177 V181 I332 G333 S340I177-A336 HydrophobicContact CG2-CB 3.78Å; I177-A336 VanDerWaalsContact CG2-O 3.29Å; I177-A336 WeakPolarHBondContact CG2-O 3.41Å; V181-A336 HydrophobicContact CG2-CB 3.73Å; I332-A336 WeakPolarHBondContact O-CB 3.35Å; I332-A336 PolarHBondContact O-N 2.78Å; G333-A336 PolarHBondContact O-N 2.89Å; A336-S340 WeakPolarHBondContact O-CB 3.36Å; A336-S340 PolarHBondContact O-N 3.34Å; A336-S340 PolarHBondContact O-OG 3.13Å
337T92.8Very high92.7Very high0 Ų015.2 Ų15.20%08%0.08CC..Hα-helixtrans-70-41.1-178.256.30000112.8F34 S35 F39 V181 G333 V334 S340 A341F34-T337 HydrophobicContact CB-CG2 4.01Å; S35-T337 WeakPolarHBondContact O-CB 3.4Å; S35-T337 PolarHBondContact O-OG1 2.66Å; F39-T337 HydrophobicContact CD2-CG2 4.39Å; F39-T337 HydrophobicContact CE2-CG2 3.88Å; V181-T337 HydrophobicContact CB-CG2 4.27Å; V181-T337 HydrophobicContact CG1-CG2 3.65Å; V181-T337 HydrophobicContact CG2-CG2 3.52Å; G333-T337 WeakPolarHBondContact O-CG2 3.42Å; G333-T337 PolarHBondContact O-N 3.08Å; G333-T337 PolarHBondContact O-OG1 2.94Å; G333-T337 VanDerWaalsContact O-OG1 3.1Å; V334-T337 PolarHBondContact O-OG1 3.07Å; T337-S340 WeakPolarHBondContact CA-OG 3.46Å; T337-S340 PolarHBondContact O-OG 3.07Å; T337-A341 VanDerWaalsContact O-CB 3.32Å; T337-A341 WeakPolarHBondContact O-CB 3.46Å; T337-A341 PolarHBondContact O-N 3.43Å
338T92.3Very high92.9Very high0 Ų012 Ų120%07%0.065CC..Hα-helixtrans-70.2-41.717853.40000112.1L121 V334 F335 A341 A342L121-T338 WeakPolarHBondContact CD1-OG1 3.38Å; V334-T338 HydrophobicContact CG1-CG2 4.44Å; V334-T338 WeakPolarHBondContact O-CB 3.45Å; V334-T338 VanDerWaalsContact O-CG2 3.32Å; V334-T338 WeakPolarHBondContact O-CG2 3.45Å; V334-T338 PolarHBondContact O-N 2.78Å; V334-T338 PolarHBondContact O-OG1 3.34Å; F335-T338 PolarHBondContact O-OG1 2.99Å; T338-A341 PolarHBondContact O-N 3.15Å; T338-A342 WeakPolarHBondContact O-CB 3.36Å; T338-A342 PolarHBondContact O-N 3.24Å
339L93.7Very high93Very high34 Ų3410.5 Ų10.518%0.1786%0.055CC..Hα-helixtrans-64-42.7176.4-178.2142.9000111.8L121 L158 I177 F335 A342 L343L121-L339 HydrophobicContact CD2-CB 4.07Å; L121-L339 HydrophobicContact CD2-CD1 4.47Å; L158-L339 HydrophobicContact CD2-CD1 3.82Å; I177-L339 HydrophobicContact CD1-CD2 3.8Å; F335-L339 WeakPolarHBondContact O-CB 2.95Å; F335-L339 PolarHBondContact O-N 2.93Å; L339-A342 PolarHBondContact O-N 2.95Å; L339-L343 HydrophobicContact CD2-CD1 3.45Å; L339-L343 VanDerWaalsContact CD2-CD1 3.45Å; L339-L343 HydrophobicContact CG-CD1 4.23Å; L339-L343 WeakPolarHBondContact O-CB 3.41Å; L339-L343 WeakPolarHBondContact O-CG 3.37Å; L339-L343 PolarHBondContact O-N 3.26Å
340S92.9Very high93Very high3 Ų39.2 Ų9.22%0.0215%0.049CC..Hα-helixtrans-68.2-37.7176.254.90000113.1A336 T337 L343 G344A336-S340 WeakPolarHBondContact O-CB 3.36Å; A336-S340 PolarHBondContact O-N 3.34Å; A336-S340 PolarHBondContact O-OG 3.13Å; T337-S340 WeakPolarHBondContact CA-OG 3.46Å; T337-S340 PolarHBondContact O-OG 3.07Å; S340-L343 PolarHBondContact O-N 3.17Å; S340-G344 PolarHBondContact O-N 3.49Å
341A93.2Very high93Very high0 Ų09.8 Ų9.80%05%0.051CC..Hα-helixtrans-64.3-42.7173.300000111.5Y117 T337 T338 G344 N345Y117-A341 HydrophobicContact CD1-CB 3.96Å; Y117-A341 HydrophobicContact CD2-CB 3.66Å; Y117-A341 HydrophobicContact CE1-CB 4.16Å; Y117-A341 HydrophobicContact CE2-CB 3.86Å; Y117-A341 HydrophobicContact CG-CB 3.71Å; T337-A341 VanDerWaalsContact O-CB 3.32Å; T337-A341 WeakPolarHBondContact O-CB 3.46Å; T337-A341 PolarHBondContact O-N 3.43Å; T338-A341 PolarHBondContact O-N 3.15Å; A341-G344 PolarHBondContact O-N 3.41Å; A341-N345 PolarHBondContact O-N 2.83Å; A341-N345 PolarHBondContact O-ND2 2.92Å
342A94.1Very high93Very high0 Ų09.5 Ų9.50%05%0.049CC..Hα-helixtrans-61-47.8173.900000112I118 T338 L339 G344 N345 L346I118-A342 HydrophobicContact CD1-CB 4.46Å; I118-A342 HydrophobicContact CG1-CB 3.77Å; T338-A342 WeakPolarHBondContact O-CB 3.36Å; T338-A342 PolarHBondContact O-N 3.24Å; L339-A342 PolarHBondContact O-N 2.95Å; A342-G344 PolarHBondContact O-N 2.61Å; A342-N345 PolarHBondContact O-N 3.1Å; A342-L346 WeakPolarHBondContact O-CB 3.4Å; A342-L346 PolarHBondContact O-N 3.5Å
343L93.2Very high93Very high0 Ų06.3 Ų6.30%03%0.033CC..Hα-helixtrans-58.2-46.2175-86.1161.8000112.4C159 I162 L163 F170 L339 S340 N345 L346 I347C159-L343 HydrophobicContact CB-CD2 4.16Å; C159-L343 HydrophobicContact CB-CG 4.34Å; I162-L343 HydrophobicContact CB-CD2 3.99Å; I162-L343 HydrophobicContact CD1-CD1 4.04Å; I162-L343 HydrophobicContact CD1-CD2 4.37Å; I162-L343 HydrophobicContact CG2-CD2 3.95Å; L163-L343 HydrophobicContact CD1-CD2 4.44Å; L163-L343 HydrophobicContact CD2-CD2 3.97Å; L163-L343 HydrophobicContact CG-CD2 3.91Å; F170-L343 HydrophobicContact CD2-CB 4.45Å; F170-L343 HydrophobicContact CE2-CB 4.24Å; L339-L343 HydrophobicContact CD2-CD1 3.45Å; L339-L343 VanDerWaalsContact CD2-CD1 3.45Å; L339-L343 HydrophobicContact CG-CD1 4.23Å; L339-L343 WeakPolarHBondContact O-CB 3.41Å; L339-L343 WeakPolarHBondContact O-CG 3.37Å; L339-L343 PolarHBondContact O-N 3.26Å; S340-L343 PolarHBondContact O-N 3.17Å; L343-N345 VanDerWaalsContact C-N 3.33Å; L343-N345 PolarHBondContact O-N 3.12Å; L343-L346 PolarHBondContact O-N 3.1Å; L343-I347 WeakPolarHBondContact O-CG2 3.49Å; L343-I347 PolarHBondContact O-N 2.89Å
344G92.4Very high92.9Very high1 Ų16.5 Ų6.51%0.013%0.034CC..Hα-helixtrans-62.4-38.4179.700000112.9S340 A341 A342 I347 G348S340-G344 PolarHBondContact O-N 3.49Å; A341-G344 PolarHBondContact O-N 3.41Å; A342-G344 PolarHBondContact O-N 2.61Å; G344-I347 VanDerWaalsContact O-CG2 3.28Å; G344-I347 WeakPolarHBondContact O-CG2 3.45Å; G344-G348 PolarHBondContact O-N 2.98Å
345N93.9Very high92.8Very high0 Ų06.6 Ų6.60%04%0.035CC..Hα-helixtrans-74.8-41.8176.8-75-69000112.5Q110 A114 Y117 A341 A342 L343 G348 A349Q110-N345 PolarHBondContact NE2-O 2.95Å; Q110-N345 PolarHBondContact NE2-OD1 3.41Å; Q110-N345 PolarHBondContact OE1-OD1 3.43Å; A114-N345 HydrophobicContact CB-CB 4.02Å; Y117-N345 WeakPolarHBondContact CE2-ND2 3.35Å; A341-N345 PolarHBondContact O-N 2.83Å; A341-N345 PolarHBondContact O-ND2 2.92Å; A342-N345 PolarHBondContact O-N 3.1Å; L343-N345 VanDerWaalsContact C-N 3.33Å; L343-N345 PolarHBondContact O-N 3.12Å; N345-G348 PolarHBondContact O-N 2.92Å; N345-A349 WeakPolarHBondContact O-CB 3.31Å; N345-A349 PolarHBondContact O-N 3.08Å
346L94.2Very high92.6Very high2 Ų24.2 Ų4.21%0.012%0.024CC..Hα-helixtrans-64.2-43.5176.6-82161000112.8A114 I118 L156 C159 L163 A342 L343 G348 A349 S350 C389A114-L346 HydrophobicContact CB-CD1 4.31Å; A114-L346 HydrophobicContact CB-CD2 4.18Å; A114-L346 HydrophobicContact CB-CG 3.66Å; I118-L346 HydrophobicContact CD1-CD1 4.4Å; L156-L346 HydrophobicContact CD1-CD1 3.87Å; L156-L346 HydrophobicContact CD1-CD2 4.32Å; C159-L346 HydrophobicContact CB-CD1 3.83Å; L163-L346 HydrophobicContact CD1-CB 3.48Å; L163-L346 VanDerWaalsContact CD1-CB 3.48Å; A342-L346 WeakPolarHBondContact O-CB 3.4Å; A342-L346 PolarHBondContact O-N 3.5Å; L343-L346 PolarHBondContact O-N 3.1Å; L346-G348 VanDerWaalsContact C-N 3.3Å; L346-G348 PolarHBondContact O-N 2.84Å; L346-A349 PolarHBondContact O-N 3.49Å; L346-S350 PolarHBondContact O-N 3.25Å; L346-C389 HydrophobicContact CD2-CB 4.31Å
347I91.7Very high92.4Very high2 Ų23.7 Ų3.71%0.012%0.02CC..Hα-helixtrans-62.6-43.4175.4-162.9168.7000109.9L163 F170 V271 L343 G344 A349 S350 R351L163-I347 HydrophobicContact CD2-CB 3.66Å; L163-I347 HydrophobicContact CD2-CD1 4.07Å; L163-I347 HydrophobicContact CD2-CG1 3.99Å; F170-I347 HydrophobicContact CB-CD1 4.11Å; F170-I347 HydrophobicContact CD1-CD1 3.56Å; F170-I347 HydrophobicContact CD2-CD1 4.06Å; F170-I347 HydrophobicContact CD2-CG2 4.42Å; F170-I347 HydrophobicContact CE1-CD1 3.9Å; F170-I347 HydrophobicContact CE1-CG2 4.19Å; F170-I347 HydrophobicContact CE2-CB 4.43Å; F170-I347 HydrophobicContact CE2-CD1 4.36Å; F170-I347 HydrophobicContact CE2-CG2 3.79Å; F170-I347 HydrophobicContact CG-CD1 3.63Å; F170-I347 HydrophobicContact CZ-CD1 4.28Å; F170-I347 HydrophobicContact CZ-CG2 3.65Å; V271-I347 HydrophobicContact CG2-CG2 4.29Å; L343-I347 WeakPolarHBondContact O-CG2 3.49Å; L343-I347 PolarHBondContact O-N 2.89Å; G344-I347 VanDerWaalsContact O-CG2 3.28Å; G344-I347 WeakPolarHBondContact O-CG2 3.45Å; I347-A349 PolarHBondContact O-N 3.27Å; I347-S350 PolarHBondContact O-N 2.9Å; I347-S350 PolarHBondContact O-OG 3.03Å; I347-R351 HydrophobicContact CG1-CG 4.38Å; I347-R351 WeakPolarHBondContact O-CG 3.39Å; I347-R351 PolarHBondContact O-N 3.48Å
348G91.8Very high92Very high0 Ų08.7 Ų8.70%04%0.039CC..Hα-helixtrans-59.8-47.6177.900000112.4G344 N345 L346 S350 R351 I352G344-G348 PolarHBondContact O-N 2.98Å; N345-G348 PolarHBondContact O-N 2.92Å; L346-G348 VanDerWaalsContact C-N 3.3Å; L346-G348 PolarHBondContact O-N 2.84Å; G348-S350 VanDerWaalsContact C-N 3.33Å; G348-S350 PolarHBondContact O-N 3.41Å; G348-R351 PolarHBondContact O-N 3.19Å; G348-I352 VanDerWaalsContact O-CD1 3.28Å; G348-I352 WeakPolarHBondContact O-CD1 3.36Å; G348-I352 WeakPolarHBondContact O-CG1 3.41Å; G348-I352 PolarHBondContact O-N 3.45Å
349A94.3Very high91.7Very high0 Ų010.1 Ų10.10%05%0.047CC..Hα-helixtrans-55.8-47.2174.900000111.8F107 Q110 V111 N345 L346 I347 R351 I352 L353 A385F107-A349 HydrophobicContact CD2-CB 3.91Å; F107-A349 WeakPolarHBondContact CD2-O 3.23Å; F107-A349 HydrophobicContact CE2-CB 3.91Å; F107-A349 WeakPolarHBondContact CE2-O 3.43Å; Q110-A349 HydrophobicContact CB-CB 3.81Å; V111-A349 HydrophobicContact CG2-CB 3.82Å; N345-A349 WeakPolarHBondContact O-CB 3.31Å; N345-A349 PolarHBondContact O-N 3.08Å; L346-A349 PolarHBondContact O-N 3.49Å; I347-A349 PolarHBondContact O-N 3.27Å; A349-R351 PolarHBondContact O-N 3.43Å; A349-I352 PolarHBondContact O-N 3.13Å; A349-L353 WeakPolarHBondContact O-CB 3.43Å; A349-L353 PolarHBondContact O-N 2.9Å; A349-A385 HydrophobicContact CB-CB 4.06Å
350S93.2Very high91.1Very high0 Ų012.3 Ų12.30%06%0.056CC..Hα-helixtrans-61.7-40.9-179.376.30000113.1L346 I347 G348 L353 E354 A381L346-S350 PolarHBondContact O-N 3.25Å; I347-S350 PolarHBondContact O-N 2.9Å; I347-S350 PolarHBondContact O-OG 3.03Å; G348-S350 VanDerWaalsContact C-N 3.33Å; G348-S350 PolarHBondContact O-N 3.41Å; S350-L353 PolarHBondContact O-N 2.92Å; S350-E354 WeakPolarHBondContact O-CB 3.49Å; S350-E354 PolarHBondContact O-N 3.44Å; S350-A381 WeakPolarHBondContact O-CB 3.32Å
351R90.9Very high90.4Very high11 Ų1112.2 Ų12.24%0.0426%0.055CC..Hα-helixtrans-73.7-38.1-178.4-63.2-58.9-176.3-106.611.9112E274 I347 G348 A349 L353 A355 N377 P378E274-R351 IonicContact OE1-CZ 3.43Å; E274-R351 IonicContact OE1-NE 3.02Å; E274-R351 PolarHBondContact OE1-NE 3.39Å; E274-R351 IonicContact OE1-NH2 2.94Å; E274-R351 PolarHBondContact OE1-NH2 3.36Å; I347-R351 HydrophobicContact CG1-CG 4.38Å; I347-R351 WeakPolarHBondContact O-CG 3.39Å; I347-R351 PolarHBondContact O-N 3.48Å; G348-R351 PolarHBondContact O-N 3.19Å; A349-R351 PolarHBondContact O-N 3.43Å; R351-L353 VanDerWaalsContact C-N 3.35Å; R351-A355 WeakPolarHBondContact O-CB 3.34Å; R351-A355 PolarHBondContact O-N 3.32Å; R351-A355 VanDerWaalsContact O-N 3.09Å; R351-N377 PolarHBondContact NH1-OD1 3.41Å; R351-N377 PolarHBondContact NH2-OD1 3.3Å; R351-P378 VanDerWaalsContact NH1-CD 3.26Å
352I92.7Very high89.8Confident0 Ų014.4 Ų14.40%07%0.065CC..Hα-helixtrans-62.1-46.9173.3-64.7157.6000109.6Y87 G103 F106 F107 Q110 G348 A349 A355 I356Y87-I352 HydrophobicContact CG-CG2 4.46Å; G103-I352 WeakPolarHBondContact O-CG2 3.28Å; F106-I352 HydrophobicContact CD1-CD1 3.35Å; F106-I352 HydrophobicContact CD1-CG1 4.29Å; F106-I352 HydrophobicContact CE1-CD1 3.47Å; F106-I352 VanDerWaalsContact CE1-CD1 3.47Å; F106-I352 HydrophobicContact CE1-CG1 4.46Å; F106-I352 HydrophobicContact CG-CD1 4.38Å; F107-I352 HydrophobicContact CB-CB 4.45Å; F107-I352 HydrophobicContact CB-CG2 3.82Å; Q110-I352 HydrophobicContact CG-CD1 4.06Å; G348-I352 VanDerWaalsContact O-CD1 3.28Å; G348-I352 WeakPolarHBondContact O-CD1 3.36Å; G348-I352 WeakPolarHBondContact O-CG1 3.41Å; G348-I352 PolarHBondContact O-N 3.45Å; A349-I352 PolarHBondContact O-N 3.13Å; I352-A355 PolarHBondContact O-N 3.35Å; I352-I356 HydrophobicContact CG2-CD1 3.74Å; I352-I356 HydrophobicContact CG2-CG1 4.34Å; I352-I356 WeakPolarHBondContact O-CG1 3.45Å; I352-I356 PolarHBondContact O-N 3.36Å
353L92.8Very high88.8Confident9 Ų915.2 Ų15.25%0.0477%0.073CC..Hα-helixtrans-65.6-40.5-179.3-17166.1000112.7F107 A349 S350 R351 A355 I356 A357 L366 A369 A381 S384F107-L353 HydrophobicContact CD1-CD1 4.46Å; F107-L353 HydrophobicContact CD2-CB 3.89Å; F107-L353 HydrophobicContact CD2-CD1 4.49Å; F107-L353 HydrophobicContact CE1-CD1 4.19Å; F107-L353 HydrophobicContact CE2-CB 3.7Å; F107-L353 HydrophobicContact CE2-CD1 4.23Å; F107-L353 HydrophobicContact CE2-CD2 3.87Å; F107-L353 HydrophobicContact CE2-CG 4.16Å; F107-L353 HydrophobicContact CZ-CB 4.34Å; F107-L353 HydrophobicContact CZ-CD1 4.06Å; F107-L353 HydrophobicContact CZ-CD2 3.79Å; F107-L353 HydrophobicContact CZ-CG 4.3Å; A349-L353 WeakPolarHBondContact O-CB 3.43Å; A349-L353 PolarHBondContact O-N 2.9Å; S350-L353 PolarHBondContact O-N 2.92Å; R351-L353 VanDerWaalsContact C-N 3.35Å; L353-A355 VanDerWaalsContact C-N 3.3Å; L353-A355 PolarHBondContact O-N 3.37Å; L353-I356 PolarHBondContact O-N 2.96Å; L353-A357 VanDerWaalsContact O-CB 3.23Å; L353-A357 WeakPolarHBondContact O-CB 3.42Å; L353-A357 PolarHBondContact O-N 2.88Å; L353-L366 HydrophobicContact CD1-CD1 4.01Å; L353-L366 HydrophobicContact CD1-CD2 3.89Å; L353-A369 HydrophobicContact CG-CB 4.42Å; L353-A381 HydrophobicContact CB-CB 4.44Å; L353-A381 HydrophobicContact CD2-CB 4.4Å; L353-S384 WeakPolarHBondContact CD2-OG 3.38Å
354E91.3Very high87.7Confident5 Ų519.8 Ų19.82%0.0239%0.09CC..Hα-helixtrans-56.4-45.1172.5178.6-169.2-168.900111R16 S350 A357 R358 T372 P378 A381R16-E354 IonicContact NH1-OE1 2.62Å; R16-E354 PolarHBondContact NH1-OE1 3.3Å; R16-E354 VanDerWaalsContact NH1-OE1 3.17Å; S350-E354 WeakPolarHBondContact O-CB 3.49Å; S350-E354 PolarHBondContact O-N 3.44Å; E354-A357 WeakPolarHBondContact O-CB 3.44Å; E354-A357 PolarHBondContact O-N 3.44Å; E354-R358 VanDerWaalsContact O-CG 3.31Å; E354-R358 WeakPolarHBondContact O-CG 3.21Å; E354-R358 PolarHBondContact O-N 3.49Å; E354-R358 IonicContact OE1-CZ 3.13Å; E354-R358 IonicContact OE1-NE 2.83Å; E354-R358 PolarHBondContact OE1-NE 3.42Å; E354-R358 IonicContact OE1-NH2 3.35Å; E354-R358 PolarHBondContact OE1-NH2 3.44Å; E354-T372 WeakPolarHBondContact OE1-CG2 3.43Å; E354-P378 HydrophobicContact CB-CB 4Å; E354-P378 HydrophobicContact CB-CG 4.17Å; E354-P378 HydrophobicContact CG-CB 3.82Å; E354-P378 HydrophobicContact CG-CG 4.21Å; E354-P378 WeakPolarHBondContact OE2-CG 3.47Å; E354-A381 HydrophobicContact CB-CB 4.27Å
355A89.7Confident86.9Confident6 Ų626.7 Ų26.75%0.0513%0.126CC..Hα-helixtrans-69.7-43.1-179.300000112.5Y87 R351 I352 L353 A357 R358 D359Y87-A355 HydrophobicContact CD1-CB 3.53Å; Y87-A355 VanDerWaalsContact CE1-C 3.44Å; Y87-A355 HydrophobicContact CE1-CB 3.73Å; R351-A355 WeakPolarHBondContact O-CB 3.34Å; R351-A355 PolarHBondContact O-N 3.32Å; R351-A355 VanDerWaalsContact O-N 3.09Å; I352-A355 PolarHBondContact O-N 3.35Å; L353-A355 VanDerWaalsContact C-N 3.3Å; L353-A355 PolarHBondContact O-N 3.37Å; A355-A357 PolarHBondContact O-N 3.21Å; A355-R358 PolarHBondContact O-N 2.92Å; A355-D359 PolarHBondContact O-N 3.15Å
356I90.1Very high86.3Confident2 Ų228.2 Ų28.21%0.0113%0.134CC..Hα-helixtrans-59.1-40173.2-68.2171000110.5Y87 I352 L353 L361 F362 L366Y87-I356 HydrophobicContact CD1-CG1 3.88Å; Y87-I356 HydrophobicContact CD2-CG1 3.95Å; Y87-I356 HydrophobicContact CE1-CB 4.33Å; Y87-I356 HydrophobicContact CE1-CG1 3.7Å; Y87-I356 HydrophobicContact CE2-CG1 3.78Å; Y87-I356 HydrophobicContact CG-CG1 3.96Å; I352-I356 HydrophobicContact CG2-CD1 3.74Å; I352-I356 HydrophobicContact CG2-CG1 4.34Å; I352-I356 WeakPolarHBondContact O-CG1 3.45Å; I352-I356 PolarHBondContact O-N 3.36Å; L353-I356 PolarHBondContact O-N 2.96Å; I356-L361 HydrophobicContact CG2-CB 4.21Å; I356-L361 HydrophobicContact CG2-CD2 4.31Å; I356-F362 HydrophobicContact CG2-CD2 3.55Å; I356-F362 HydrophobicContact CG2-CE2 3.66Å; I356-L366 HydrophobicContact CG2-CD1 3.68Å
357A88.6Confident85.6Confident2 Ų233 Ų332%0.01715%0.152CC..Hα-helixtrans-63.9-48176.600000111.3L353 E354 A355 D359 E360 L366 A369 K370L353-A357 VanDerWaalsContact O-CB 3.23Å; L353-A357 WeakPolarHBondContact O-CB 3.42Å; L353-A357 PolarHBondContact O-N 2.88Å; E354-A357 WeakPolarHBondContact O-CB 3.44Å; E354-A357 PolarHBondContact O-N 3.44Å; A355-A357 PolarHBondContact O-N 3.21Å; A357-D359 VanDerWaalsContact C-N 3.31Å; A357-D359 PolarHBondContact O-N 3.09Å; A357-E360 PolarHBondContact O-N 2.99Å; A357-L366 HydrophobicContact CB-CB 4.07Å; A357-L366 VanDerWaalsContact CB-O 3.22Å; A357-L366 WeakPolarHBondContact CB-O 3.25Å; A357-A369 HydrophobicContact CB-CB 3.8Å; A357-K370 HydrophobicContact CB-CG 3.94Å; A357-K370 WeakPolarHBondContact O-CE 3.48Å
358R85.4Confident85.2Confident106 Ų10636.6 Ų36.640%0.418%0.176SC..Hα-helixtrans-55.5-44.3177.8-77.2176.9-174-155.92.7112.2R16 E354 A355 E360 K370R16-R358 VanDerWaalsContact NH1-NH2 3.12Å; E354-R358 VanDerWaalsContact O-CG 3.31Å; E354-R358 WeakPolarHBondContact O-CG 3.21Å; E354-R358 PolarHBondContact O-N 3.49Å; E354-R358 IonicContact OE1-CZ 3.13Å; E354-R358 IonicContact OE1-NE 2.83Å; E354-R358 PolarHBondContact OE1-NE 3.42Å; E354-R358 IonicContact OE1-NH2 3.35Å; E354-R358 PolarHBondContact OE1-NH2 3.44Å; A355-R358 PolarHBondContact O-N 2.92Å; R358-E360 PolarHBondContact O-N 2.99Å; R358-E360 VanDerWaalsContact O-N 3.13Å; R358-K370 PolarHBondContact O-NZ 3.25Å
359D85.4Confident84.8Confident30 Ų3036.9 Ų36.916%0.1618%0.178CC..THydrogen-bonded Turntrans-71.91.4179.2-73.9-12.8000113.6Y87 R92 A355 A357 L361 W485Y87-D359 WeakPolarHBondContact OH-CB 3.28Å; Y87-D359 PolarHBondContact OH-OD2 3.36Å; R92-D359 IonicContact CZ-OD1 3.35Å; R92-D359 IonicContact NH2-OD1 3.78Å; R92-D359 PolarHBondContact NH2-OD1 3.43Å; R92-D359 IonicContact NH2-OD2 3.17Å; R92-D359 PolarHBondContact NH2-OD2 2.99Å; A355-D359 PolarHBondContact O-N 3.15Å; A357-D359 VanDerWaalsContact C-N 3.31Å; A357-D359 PolarHBondContact O-N 3.09Å; D359-L361 PolarHBondContact O-N 3.25Å; D359-W485 HydrophobicContact CB-CH2 4.01Å; D359-W485 HydrophobicContact CB-CZ2 4.17Å; D359-W485 WeakPolarHBondContact OD1-CH2 3.46Å
360E81.8Confident84.3Confident79 Ų7939.9 Ų39.937%0.36919%0.191SC..THydrogen-bonded Turntrans52.922.8179.4-62.9-152-179.200115.4A357 R358 F362 G363 R367 K370A357-E360 PolarHBondContact O-N 2.99Å; R358-E360 PolarHBondContact O-N 2.99Å; R358-E360 VanDerWaalsContact O-N 3.13Å; E360-F362 VanDerWaalsContact C-N 3.3Å; E360-F362 PolarHBondContact O-N 3.23Å; E360-G363 PolarHBondContact O-N 3.02Å; E360-R367 IonicContact OE2-CZ 3.25Å; E360-R367 IonicContact OE2-NE 2.67Å; E360-R367 IonicContact OE2-NH2 3.94Å; E360-R367 PolarHBondContact OE2-NH2 3.16Å; E360-K370 VanDerWaalsContact CD-NZ 3.31Å; E360-K370 IonicContact OE1-NZ 3.44Å; E360-K370 PolarHBondContact OE1-NZ 3.3Å
361L78.1Confident83.8Confident1 Ų147 Ų471%0.00522%0.218CC..THydrogen-bonded Turntrans-57.1-44.6-171.3-160.584.1000112.5P96 I356 D359 L476 R479 L481P96-L361 HydrophobicContact CB-CD1 3.94Å; P96-L361 WeakPolarHBondContact O-CD1 3.45Å; I356-L361 HydrophobicContact CG2-CB 4.21Å; I356-L361 HydrophobicContact CG2-CD2 4.31Å; D359-L361 PolarHBondContact O-N 3.25Å; L361-L476 HydrophobicContact CD1-CD2 4.27Å; L361-L476 HydrophobicContact CD2-CD1 3.69Å; L361-L476 HydrophobicContact CD2-CD2 3.86Å; L361-L476 HydrophobicContact CD2-CG 4.43Å; L361-L476 HydrophobicContact CG-CD1 4.21Å; L361-L476 HydrophobicContact CG-CD2 3.62Å; L361-R479 PolarHBondContact O-NH1 3.45Å; L361-L481 HydrophobicContact CD1-CD1 3.49Å; L361-L481 VanDerWaalsContact CD1-CD1 3.49Å; L361-L481 HydrophobicContact CG-CD1 4.29Å
362F80.5Confident83.4Confident47 Ų4748.6 Ų48.621%0.20623%0.229CC..THydrogen-bonded Turntrans-956.8176.6-64-79.1000113.7S104 I356 E360 R364 L366 L472 L476 R479S104-F362 VanDerWaalsContact OG-CE2 3.24Å; S104-F362 WeakPolarHBondContact OG-CE2 3.33Å; S104-F362 VanDerWaalsContact OG-CZ 3.25Å; S104-F362 WeakPolarHBondContact OG-CZ 3.42Å; I356-F362 HydrophobicContact CG2-CD2 3.55Å; I356-F362 HydrophobicContact CG2-CE2 3.66Å; E360-F362 VanDerWaalsContact C-N 3.3Å; E360-F362 PolarHBondContact O-N 3.23Å; F362-R364 PolarHBondContact O-N 2.85Å; F362-L366 HydrophobicContact CB-CD1 3.9Å; F362-L366 HydrophobicContact CB-CG 4.11Å; F362-L366 HydrophobicContact CD2-CD1 3.49Å; F362-L366 VanDerWaalsContact CD2-CD1 3.49Å; F362-L366 HydrophobicContact CE2-CD1 4.38Å; F362-L366 HydrophobicContact CG-CD1 4.03Å; F362-L472 HydrophobicContact CE1-CD2 4.31Å; F362-L472 HydrophobicContact CZ-CD2 4.36Å; F362-L476 HydrophobicContact CE1-CD2 4.29Å; F362-R479 VanDerWaalsContact CA-NH1 3.31Å; F362-R479 PolarHBondContact O-NH1 3.45Å
363G73.6Confident82.9Confident17 Ų1751 Ų5118%0.17524%0.243CC..G310 helixtrans60.1-129.2-179.800000111.6E360 L365 R367E360-G363 PolarHBondContact O-N 3.02Å; G363-L365 PolarHBondContact O-N 3.28Å; G363-R367 WeakPolarHBondContact O-CG 3.44Å
364R69Low81.8Confident95 Ų9561.1 Ų61.136%0.35829%0.287SS..G310 helixtrans-59.4-37.6-170.7-77.8-179.2167.6175.9-5.2115.9F362 L366 R367 T758 N760F362-R364 PolarHBondContact O-N 2.85Å; R364-L366 PolarHBondContact O-N 2.85Å; R364-L366 VanDerWaalsContact O-N 3.16Å; R364-R367 PolarHBondContact O-N 2.9Å; R364-T758 VanDerWaalsContact NH1-C 3.33Å; R364-T758 PolarHBondContact NH1-O 3.28Å; R364-T758 PolarHBondContact NH1-OG1 3.38Å; R364-T758 PolarHBondContact NH2-O 3.13Å; R364-N760 PolarHBondContact NH2-OD1 2.89Å
365L76.4Confident80.9Confident146 Ų14671 Ų7176%0.76432%0.324SS*.G310 helixtrans-57.2-36.3-171.6-176.263.4000112.2G363G363-L365 PolarHBondContact O-N 3.28Å
366L81.3Confident80.3Confident32 Ų3271 Ų7117%0.16833%0.325CS..G310 helixtrans-106.80.7-176.6-61-177.7000113.9L353 I356 A357 F362 R364 P368 A369L353-L366 HydrophobicContact CD1-CD1 4.01Å; L353-L366 HydrophobicContact CD1-CD2 3.89Å; I356-L366 HydrophobicContact CG2-CD1 3.68Å; A357-L366 HydrophobicContact CB-CB 4.07Å; A357-L366 VanDerWaalsContact CB-O 3.22Å; A357-L366 WeakPolarHBondContact CB-O 3.25Å; F362-L366 HydrophobicContact CB-CD1 3.9Å; F362-L366 HydrophobicContact CB-CG 4.11Å; F362-L366 HydrophobicContact CD2-CD1 3.49Å; F362-L366 VanDerWaalsContact CD2-CD1 3.49Å; F362-L366 HydrophobicContact CE2-CD1 4.38Å; F362-L366 HydrophobicContact CG-CD1 4.03Å; R364-L366 PolarHBondContact O-N 2.85Å; R364-L366 VanDerWaalsContact O-N 3.16Å; L366-P368 VanDerWaalsContact C-N 3.3Å; L366-A369 WeakPolarHBondContact O-CB 3.28Å; L366-A369 PolarHBondContact O-N 3.2Å
367R79Confident80.1Confident104 Ų10471.4 Ų71.439%0.39233%0.327SS..G310 helixtrans-52.7-40.8177.6-80.8-178.8-179-170.1-7113.8E360 G363 R364 A369 K370E360-R367 IonicContact OE2-CZ 3.25Å; E360-R367 IonicContact OE2-NE 2.67Å; E360-R367 IonicContact OE2-NH2 3.94Å; E360-R367 PolarHBondContact OE2-NH2 3.16Å; G363-R367 WeakPolarHBondContact O-CG 3.44Å; R364-R367 PolarHBondContact O-N 2.9Å; R367-A369 PolarHBondContact O-N 3.03Å; R367-K370 VanDerWaalsContact O-CB 3.26Å; R367-K370 WeakPolarHBondContact O-CB 3.41Å; R367-K370 WeakPolarHBondContact O-CG 3.34Å; R367-K370 PolarHBondContact O-N 2.79Å; R367-K370 VanDerWaalsContact O-N 3.12Å
368P83.6Confident80.1Confident77 Ų7771.3 Ų71.350%0.533%0.326SS..G310 helixtrans-60.9-30.9177.2-25.136000113.5L366 K370 W371 V380L366-P368 VanDerWaalsContact C-N 3.3Å; P368-K370 PolarHBondContact O-N 3.28Å; P368-K370 VanDerWaalsContact O-N 3.17Å; P368-W371 WeakPolarHBondContact O-CB 3.45Å; P368-W371 PolarHBondContact O-N 2.8Å; P368-W371 VanDerWaalsContact O-N 3.1Å; P368-V380 HydrophobicContact CB-CG1 4.01Å; P368-V380 WeakPolarHBondContact O-CB 3.32Å
369A83.8Confident80.4Confident5 Ų568.2 Ų68.24%0.04132%0.317CS..G310 helixtrans-69.6-9.1179.100000113.5L353 A357 L366 R367 W371 V380 A381L353-A369 HydrophobicContact CG-CB 4.42Å; A357-A369 HydrophobicContact CB-CB 3.8Å; L366-A369 WeakPolarHBondContact O-CB 3.28Å; L366-A369 PolarHBondContact O-N 3.2Å; R367-A369 PolarHBondContact O-N 3.03Å; A369-W371 VanDerWaalsContact C-N 3.26Å; A369-W371 PolarHBondContact O-N 3.19Å; A369-V380 HydrophobicContact CB-CG1 4.42Å; A369-A381 HydrophobicContact CB-CB 4.33Å
370K82.4Confident80.7Confident63 Ų6369 Ų6927%0.27432%0.323SS..G310 helixtrans-69.4-23.2169.6-65-175.7168.2-155.80113.1A357 R358 E360 R367 P368 T372A357-K370 HydrophobicContact CB-CG 3.94Å; A357-K370 WeakPolarHBondContact O-CE 3.48Å; R358-K370 PolarHBondContact O-NZ 3.25Å; E360-K370 VanDerWaalsContact CD-NZ 3.31Å; E360-K370 IonicContact OE1-NZ 3.44Å; E360-K370 PolarHBondContact OE1-NZ 3.3Å; R367-K370 VanDerWaalsContact O-CB 3.26Å; R367-K370 WeakPolarHBondContact O-CB 3.41Å; R367-K370 WeakPolarHBondContact O-CG 3.34Å; R367-K370 PolarHBondContact O-N 2.79Å; R367-K370 VanDerWaalsContact O-N 3.12Å; P368-K370 PolarHBondContact O-N 3.28Å; P368-K370 VanDerWaalsContact O-N 3.17Å; K370-T372 WeakPolarHBondContact O-CG2 3.15Å; K370-T372 PolarHBondContact O-N 3.41Å
371W83.7Confident81.2Confident150 Ų15065.2 Ų65.257%0.56831%0.305SS*.  trans-67.9121.5-171.6-175.474.1000110.9P368 A369 I379 V380P368-W371 WeakPolarHBondContact O-CB 3.45Å; P368-W371 PolarHBondContact O-N 2.8Å; P368-W371 VanDerWaalsContact O-N 3.1Å; A369-W371 VanDerWaalsContact C-N 3.26Å; A369-W371 PolarHBondContact O-N 3.19Å; W371-I379 HydrophobicContact CE3-CB 4.17Å; W371-I379 HydrophobicContact CH2-CD1 4Å; W371-I379 HydrophobicContact CZ3-CB 3.77Å; W371-I379 HydrophobicContact CZ3-CD1 3.66Å; W371-I379 HydrophobicContact CZ3-CG1 4.21Å; W371-I379 HydrophobicContact CZ3-CG2 4.17Å; W371-V380 HydrophobicContact CB-CG2 4.44Å; W371-V380 HydrophobicContact CE3-CG2 4.02Å
372T83.3Confident82Confident44 Ų4465.2 Ų65.227%0.2731%0.306SS..  trans-120.4146.9178.271.60000110.8R16 E354 K370 N377 P378R16-T372 PolarHBondContact NH2-OG1 3.43Å; E354-T372 WeakPolarHBondContact OE1-CG2 3.43Å; K370-T372 WeakPolarHBondContact O-CG2 3.15Å; K370-T372 PolarHBondContact O-N 3.41Å; T372-N377 WeakPolarHBondContact CA-O 3.25Å; T372-P378 HydrophobicContact CG2-CB 4.16Å
373T81.1Confident82.7Confident50 Ų5067.3 Ų67.331%0.30732%0.318SS..  trans-66.6165.7174.5-48.10000110.7R375 G376 N377 I379T373-R375 PolarHBondContact O-N 3.38Å; T373-R375 VanDerWaalsContact O-N 3.13Å; T373-G376 VanDerWaalsContact O-CA 3.31Å; T373-G376 WeakPolarHBondContact O-CA 3.43Å; T373-G376 PolarHBondContact O-N 3.13Å; T373-N377 PolarHBondContact N-O 2.84Å; T373-N377 PolarHBondContact OG1-O 3.5Å; T373-N377 VanDerWaalsContact OG1-O 3.09Å; T373-I379 WeakPolarHBondContact OG1-CD1 3.29Å; T373-I379 WeakPolarHBondContact OG1-CG1 3.19Å
374K70.5Confident83.6Confident223 Ų22368 Ų6897%0.9732%0.321SS*.THydrogen-bonded Turntrans-49.4-37170.4-64.6-173.9178.7-175.30113.6G376K374-G376 PolarHBondContact O-N 3.3Å
375R71.8Confident84.9Confident211 Ų21163.5 Ų63.580%0.79630%0.304SS*.THydrogen-bonded Turntrans-76.3-0.5174.7-67.8-174.8175.5179.8-0.9114.3T373T373-R375 PolarHBondContact O-N 3.38Å; T373-R375 VanDerWaalsContact O-N 3.13Å
376G76.3Confident85.8Confident8 Ų856.8 Ų56.88%0.08227%0.27CS..  trans83.28.1-179.400000116.3R16 T373 K374 P378R16-G376 PolarHBondContact NH1-O 3.44Å; R16-G376 PolarHBondContact NH2-O 3Å; T373-G376 VanDerWaalsContact O-CA 3.31Å; T373-G376 WeakPolarHBondContact O-CA 3.43Å; T373-G376 PolarHBondContact O-N 3.13Å; K374-G376 PolarHBondContact O-N 3.3Å; G376-P378 WeakPolarHBondContact O-CD 3.44Å
377N86Confident86.5Confident9 Ų961 Ų615%0.04829%0.287CS..  trans-81123.4179.8-162.222.7000111.6L163 L164 R351 T372 T373 I379L163-N377 PolarHBondContact O-ND2 3.32Å; L164-N377 PolarHBondContact O-ND2 3.41Å; R351-N377 PolarHBondContact NH1-OD1 3.41Å; R351-N377 PolarHBondContact NH2-OD1 3.3Å; T372-N377 WeakPolarHBondContact CA-O 3.25Å; T373-N377 PolarHBondContact N-O 2.84Å; T373-N377 PolarHBondContact OG1-O 3.5Å; T373-N377 VanDerWaalsContact OG1-O 3.09Å; N377-I379 PolarHBondContact O-N 2.84Å; N377-I379 VanDerWaalsContact O-N 3.12Å
378P89.1Confident87.3Confident0 Ų058.9 Ų58.90%028%0.283CS..  trans-78.286178.434.4-41.7000112.6R351 E354 T372 G376 V380 A381 V382R351-P378 VanDerWaalsContact NH1-CD 3.26Å; E354-P378 HydrophobicContact CB-CB 4Å; E354-P378 HydrophobicContact CB-CG 4.17Å; E354-P378 HydrophobicContact CG-CB 3.82Å; E354-P378 HydrophobicContact CG-CG 4.21Å; E354-P378 WeakPolarHBondContact OE2-CG 3.47Å; T372-P378 HydrophobicContact CG2-CB 4.16Å; G376-P378 WeakPolarHBondContact O-CD 3.44Å; P378-V380 PolarHBondContact O-N 3.36Å; P378-A381 HydrophobicContact CB-CB 3.91Å; P378-A381 HydrophobicContact CG-CB 4.35Å; P378-A381 PolarHBondContact O-N 2.94Å; P378-V382 WeakPolarHBondContact O-CG2 3.34Å; P378-V382 PolarHBondContact O-N 3.24Å; P378-V382 VanDerWaalsContact O-N 3.08Å
379I91.1Very high87.9Confident41 Ų4155.2 Ų55.221%0.2126%0.26CS..Hα-helixtrans-59.8-46.2-176.2-67.7170.2000111.8L164 W371 T373 N377 A381 V382 L383L164-I379 HydrophobicContact CD2-CB 4.3Å; L164-I379 HydrophobicContact CD2-CG1 4.2Å; L164-I379 HydrophobicContact CD2-CG2 3.82Å; W371-I379 HydrophobicContact CE3-CB 4.17Å; W371-I379 HydrophobicContact CH2-CD1 4Å; W371-I379 HydrophobicContact CZ3-CB 3.77Å; W371-I379 HydrophobicContact CZ3-CD1 3.66Å; W371-I379 HydrophobicContact CZ3-CG1 4.21Å; W371-I379 HydrophobicContact CZ3-CG2 4.17Å; T373-I379 WeakPolarHBondContact OG1-CD1 3.29Å; T373-I379 WeakPolarHBondContact OG1-CG1 3.19Å; N377-I379 PolarHBondContact O-N 2.84Å; N377-I379 VanDerWaalsContact O-N 3.12Å; I379-A381 VanDerWaalsContact C-N 3.33Å; I379-A381 PolarHBondContact O-N 3.38Å; I379-V382 PolarHBondContact O-N 2.83Å; I379-L383 HydrophobicContact CG2-CD1 3.8Å; I379-L383 HydrophobicContact CG2-CG 4.23Å; I379-L383 WeakPolarHBondContact O-CG 3.37Å; I379-L383 PolarHBondContact O-N 3.14Å
380V92.9Very high88.4Confident46 Ų4657.1 Ų57.128%0.27927%0.269SS..Hα-helixtrans-65.5-38.5-177176.40000111.2P368 A369 W371 P378 L383 S384P368-V380 HydrophobicContact CB-CG1 4.01Å; P368-V380 WeakPolarHBondContact O-CB 3.32Å; A369-V380 HydrophobicContact CB-CG1 4.42Å; W371-V380 HydrophobicContact CB-CG2 4.44Å; W371-V380 HydrophobicContact CE3-CG2 4.02Å; P378-V380 PolarHBondContact O-N 3.36Å; V380-L383 PolarHBondContact O-N 3.35Å; V380-S384 WeakPolarHBondContact O-CB 3.49Å; V380-S384 PolarHBondContact O-N 3.46Å; V380-S384 PolarHBondContact O-OG 2.94Å; V380-S384 VanDerWaalsContact O-OG 3.1Å
381A92.9Very high88.9Confident0 Ų057.9 Ų57.90%028%0.276CS..Hα-helixtrans-65.3-43.1176.900000111.3S350 L353 E354 A369 P378 I379 S384 A385S350-A381 WeakPolarHBondContact O-CB 3.32Å; L353-A381 HydrophobicContact CB-CB 4.44Å; L353-A381 HydrophobicContact CD2-CB 4.4Å; E354-A381 HydrophobicContact CB-CB 4.27Å; A369-A381 HydrophobicContact CB-CB 4.33Å; P378-A381 HydrophobicContact CB-CB 3.91Å; P378-A381 HydrophobicContact CG-CB 4.35Å; P378-A381 PolarHBondContact O-N 2.94Å; I379-A381 VanDerWaalsContact C-N 3.33Å; I379-A381 PolarHBondContact O-N 3.38Å; A381-S384 WeakPolarHBondContact CA-OG 3.33Å; A381-S384 PolarHBondContact O-N 2.91Å; A381-S384 PolarHBondContact O-OG 3.07Å; A381-A385 WeakPolarHBondContact O-CB 3.41Å; A381-A385 PolarHBondContact O-N 3.07Å
382V93.9Very high89.3Confident2 Ų251.5 Ų51.51%0.01225%0.252CS..Hα-helixtrans-58.6-53.2173.9172.40000110.2M160 L163 L164 P378 I379 S384 A385 G386M160-V382 HydrophobicContact CE-CG1 3.52Å; M160-V382 VanDerWaalsContact CE-O 3.29Å; M160-V382 WeakPolarHBondContact CE-O 3.46Å; M160-V382 HydrophobicContact SD-CG1 3.81Å; L163-V382 HydrophobicContact CB-CG1 3.89Å; L164-V382 HydrophobicContact CD2-CB 4.4Å; L164-V382 HydrophobicContact CD2-CG1 4.04Å; L164-V382 HydrophobicContact CG-CG1 4.23Å; P378-V382 WeakPolarHBondContact O-CG2 3.34Å; P378-V382 PolarHBondContact O-N 3.24Å; P378-V382 VanDerWaalsContact O-N 3.08Å; I379-V382 PolarHBondContact O-N 2.83Å; V382-S384 VanDerWaalsContact C-N 3.33Å; V382-S384 PolarHBondContact O-N 3.49Å; V382-A385 PolarHBondContact O-N 3.3Å; V382-G386 PolarHBondContact O-N 3.11Å
383L94.8Very high89.7Confident90 Ų9050.1 Ų50.147%0.47124%0.243SC..Hα-helixtrans-57.8-42.3179.3-70.1176.3000112.8M160 L164 I379 V380 G386 F387M160-L383 HydrophobicContact CE-CD2 3.88Å; L164-L383 HydrophobicContact CD1-CD2 4.41Å; I379-L383 HydrophobicContact CG2-CD1 3.8Å; I379-L383 HydrophobicContact CG2-CG 4.23Å; I379-L383 WeakPolarHBondContact O-CG 3.37Å; I379-L383 PolarHBondContact O-N 3.14Å; V380-L383 PolarHBondContact O-N 3.35Å; L383-G386 PolarHBondContact O-N 3.31Å; L383-F387 WeakPolarHBondContact O-CB 3.5Å; L383-F387 PolarHBondContact O-N 3.48Å
384S93.6Very high90.1Very high32 Ų3251.5 Ų51.522%0.22425%0.248CC..Hα-helixtrans-68.4-37.4177.964.40000113.4L353 V380 A381 V382 F387 L388L353-S384 WeakPolarHBondContact CD2-OG 3.38Å; V380-S384 WeakPolarHBondContact O-CB 3.49Å; V380-S384 PolarHBondContact O-N 3.46Å; V380-S384 PolarHBondContact O-OG 2.94Å; V380-S384 VanDerWaalsContact O-OG 3.1Å; A381-S384 WeakPolarHBondContact CA-OG 3.33Å; A381-S384 PolarHBondContact O-N 2.91Å; A381-S384 PolarHBondContact O-OG 3.07Å; V382-S384 VanDerWaalsContact C-N 3.33Å; V382-S384 PolarHBondContact O-N 3.49Å; S384-F387 PolarHBondContact O-N 2.69Å; S384-L388 WeakPolarHBondContact O-CG 3.43Å; S384-L388 PolarHBondContact O-N 3.41Å
385A95.3Very high90.8Very high1 Ų146.2 Ų46.21%0.00823%0.23CC..Hα-helixtrans-65.8-42.5173.900000110.9F107 A349 A381 V382 L388 C389F107-A385 HydrophobicContact CE2-CB 4.33Å; A349-A385 HydrophobicContact CB-CB 4.06Å; A381-A385 WeakPolarHBondContact O-CB 3.41Å; A381-A385 PolarHBondContact O-N 3.07Å; V382-A385 PolarHBondContact O-N 3.3Å; A385-L388 PolarHBondContact O-N 3.33Å; A385-C389 VanDerWaalsContact O-CB 3.28Å; A385-C389 WeakPolarHBondContact O-CB 3.2Å; A385-C389 PolarHBondContact O-N 3.14Å
386G96.2Very high90.7Very high5 Ų537.7 Ų37.75%0.05221%0.207CC..Hα-helixtrans-61.4-44.1173.200000112.6V382 L383 C389 L390V382-G386 PolarHBondContact O-N 3.11Å; L383-G386 PolarHBondContact O-N 3.31Å; G386-C389 WeakPolarHBondContact O-CB 3.37Å; G386-C389 PolarHBondContact O-N 3.1Å; G386-L390 WeakPolarHBondContact O-CB 3.47Å; G386-L390 PolarHBondContact O-N 2.95Å
387F95.6Very high90.4Very high121 Ų12146.4 Ų46.453%0.53124%0.238SC..Hα-helixtrans-62.9-44.1176.9178.4-102.8000112.5L383 S384 C389 L390 L391L383-F387 WeakPolarHBondContact O-CB 3.5Å; L383-F387 PolarHBondContact O-N 3.48Å; S384-F387 PolarHBondContact O-N 2.69Å; F387-C389 VanDerWaalsContact C-N 3.33Å; F387-C389 PolarHBondContact O-N 3.13Å; F387-L390 WeakPolarHBondContact O-CB 3.49Å; F387-L390 PolarHBondContact O-N 3.43Å; F387-L391 HydrophobicContact CD1-CD1 4.22Å; F387-L391 HydrophobicContact CE1-CD1 3.65Å; F387-L391 HydrophobicContact CE1-CG 4.22Å; F387-L391 HydrophobicContact CZ-CD1 4.07Å; F387-L391 HydrophobicContact CZ-CD2 4.32Å; F387-L391 HydrophobicContact CZ-CG 4.29Å; F387-L391 PolarHBondContact O-N 3.26Å; F387-L391 VanDerWaalsContact O-N 3.08Å
388L95Very high89.5Confident59 Ų5949.1 Ų49.131%0.30925%0.252SS..Hα-helixtrans-65.6-37.6175.3-73.7164.8000111.9F107 V111 S384 A385 L390 L391 I392F107-L388 HydrophobicContact CE1-CD1 3.73Å; F107-L388 HydrophobicContact CZ-CD1 3.63Å; V111-L388 HydrophobicContact CG1-CB 3.79Å; S384-L388 WeakPolarHBondContact O-CG 3.43Å; S384-L388 PolarHBondContact O-N 3.41Å; A385-L388 PolarHBondContact O-N 3.33Å; L388-L390 VanDerWaalsContact C-N 3.31Å; L388-L390 PolarHBondContact O-N 3.48Å; L388-L391 HydrophobicContact CD2-CD1 4.42Å; L388-L391 PolarHBondContact O-N 3.04Å; L388-I392 WeakPolarHBondContact O-CG1 3.42Å; L388-I392 PolarHBondContact O-N 2.61Å; L388-I392 VanDerWaalsContact O-N 3.08Å
389C95.9Very high88.6Confident0 Ų054 Ų540%028%0.278CS..Hα-helixtrans-60.8-42.5173.8-171.20000110.9V111 L156 L346 A385 G386 F387 L391 I392 L393V111-C389 HydrophobicContact CG1-CB 3.87Å; V111-C389 VanDerWaalsContact CG1-N 3.3Å; L156-C389 HydrophobicContact CD1-CB 4.33Å; L156-C389 HydrophobicContact CD2-CB 4.48Å; L346-C389 HydrophobicContact CD2-CB 4.31Å; A385-C389 VanDerWaalsContact O-CB 3.28Å; A385-C389 WeakPolarHBondContact O-CB 3.2Å; A385-C389 PolarHBondContact O-N 3.14Å; G386-C389 WeakPolarHBondContact O-CB 3.37Å; G386-C389 PolarHBondContact O-N 3.1Å; F387-C389 VanDerWaalsContact C-N 3.33Å; F387-C389 PolarHBondContact O-N 3.13Å; C389-L391 VanDerWaalsContact C-N 3.34Å; C389-L391 PolarHBondContact O-N 2.96Å; C389-I392 PolarHBondContact O-N 2.86Å; C389-L393 WeakPolarHBondContact O-CG 3.19Å; C389-L393 PolarHBondContact O-N 3.48Å
390L94.6Very high87.9Confident45 Ų4553.7 Ų53.724%0.23628%0.282CS..Hα-helixtrans-60.6-40.2175.5-177.265.6000112.7Y149 I153 L156 G386 F387 L388 L393 L394Y149-L390 HydrophobicContact CE2-CD1 3.95Å; Y149-L390 WeakPolarHBondContact OH-CD1 3.48Å; Y149-L390 WeakPolarHBondContact OH-CG 3.21Å; I153-L390 HydrophobicContact CD1-CD1 4.19Å; I153-L390 HydrophobicContact CG1-CD1 3.53Å; L156-L390 HydrophobicContact CD2-CB 3.98Å; L156-L390 HydrophobicContact CD2-CD1 4.36Å; G386-L390 WeakPolarHBondContact O-CB 3.47Å; G386-L390 PolarHBondContact O-N 2.95Å; F387-L390 WeakPolarHBondContact O-CB 3.49Å; F387-L390 PolarHBondContact O-N 3.43Å; L388-L390 VanDerWaalsContact C-N 3.31Å; L388-L390 PolarHBondContact O-N 3.48Å; L390-L393 PolarHBondContact O-N 3.24Å; L390-L394 PolarHBondContact O-N 3.38Å
391L93.4Very high87.5Confident79 Ų7951.9 Ų51.941%0.41427%0.27SS..Hα-helixtrans-65.3-38.1175.3-68.5178.1000112.1F387 L388 C389 L394 I395F387-L391 HydrophobicContact CD1-CD1 4.22Å; F387-L391 HydrophobicContact CE1-CD1 3.65Å; F387-L391 HydrophobicContact CE1-CG 4.22Å; F387-L391 HydrophobicContact CZ-CD1 4.07Å; F387-L391 HydrophobicContact CZ-CD2 4.32Å; F387-L391 HydrophobicContact CZ-CG 4.29Å; F387-L391 PolarHBondContact O-N 3.26Å; F387-L391 VanDerWaalsContact O-N 3.08Å; L388-L391 HydrophobicContact CD2-CD1 4.42Å; L388-L391 PolarHBondContact O-N 3.04Å; C389-L391 VanDerWaalsContact C-N 3.34Å; C389-L391 PolarHBondContact O-N 2.96Å; L391-L394 WeakPolarHBondContact O-CB 3.18Å; L391-L394 PolarHBondContact O-N 2.68Å; L391-I395 PolarHBondContact O-N 3.28Å
392I92.8Very high87Confident15 Ų1553 Ų538%0.07728%0.279CS..Hα-helixtrans-69.3-39.8176.6-67.5156.8000110.7F108 V111 C112 A115 L388 C389 L394 I395 I401F108-I392 HydrophobicContact CE2-CD1 4.19Å; V111-I392 HydrophobicContact CB-CD1 4.27Å; V111-I392 HydrophobicContact CG1-CD1 3.59Å; C112-I392 HydrophobicContact CB-CD1 4.46Å; C112-I392 VanDerWaalsContact SG-CD1 3.55Å; A115-I392 HydrophobicContact CB-CB 4.06Å; A115-I392 HydrophobicContact CB-CG2 3.58Å; L388-I392 WeakPolarHBondContact O-CG1 3.42Å; L388-I392 PolarHBondContact O-N 2.61Å; L388-I392 VanDerWaalsContact O-N 3.08Å; C389-I392 PolarHBondContact O-N 2.86Å; I392-L394 VanDerWaalsContact C-N 3.26Å; I392-L394 PolarHBondContact O-N 3.21Å; I392-I395 WeakPolarHBondContact O-CB 3.47Å; I392-I395 PolarHBondContact O-N 2.95Å; I392-I401 HydrophobicContact CG2-CD1 4.1Å; I392-I401 HydrophobicContact CG2-CG1 4.41Å
393L91.4Very high86.6Confident15 Ų1553.9 Ų53.98%0.07929%0.285CS..Hα-helixtrans-61.8-34.4174.2-72.9167.7000112A115 I118 A119 Y149 A152 L156 C389 L390 I395 G396A115-L393 HydrophobicContact CB-CD2 4.02Å; A115-L393 HydrophobicContact CB-CG 3.99Å; A115-L393 WeakPolarHBondContact O-CD2 3.34Å; I118-L393 HydrophobicContact CB-CD2 4.44Å; I118-L393 HydrophobicContact CD1-CD1 4.48Å; I118-L393 HydrophobicContact CG2-CD1 4.08Å; I118-L393 HydrophobicContact CG2-CD2 4.27Å; A119-L393 HydrophobicContact CB-CD2 4.41Å; Y149-L393 HydrophobicContact CD2-CB 4.35Å; Y149-L393 HydrophobicContact CE2-CB 4.05Å; A152-L393 HydrophobicContact CB-CD1 4.08Å; A152-L393 HydrophobicContact CB-CD2 4.28Å; L156-L393 HydrophobicContact CD2-CD1 4.3Å; C389-L393 WeakPolarHBondContact O-CG 3.19Å; C389-L393 PolarHBondContact O-N 3.48Å; L390-L393 PolarHBondContact O-N 3.24Å; L393-I395 VanDerWaalsContact C-N 3.26Å; L393-I395 PolarHBondContact O-N 3.46Å; L393-G396 PolarHBondContact O-N 2.91Å; L393-G396 VanDerWaalsContact O-N 3.13Å
394L88.6Confident86.2Confident79 Ų7952.2 Ų52.241%0.41428%0.276SS..Hα-helixtrans-64.6-29.2177.1-173.569.5000112.6Y149 L390 L391 I392 G396Y149-L394 HydrophobicContact CE1-CD1 4.02Å; Y149-L394 HydrophobicContact CE2-CB 3.93Å; Y149-L394 HydrophobicContact CE2-CD1 4.07Å; L390-L394 PolarHBondContact O-N 3.38Å; L391-L394 WeakPolarHBondContact O-CB 3.18Å; L391-L394 PolarHBondContact O-N 2.68Å; I392-L394 VanDerWaalsContact C-N 3.26Å; I392-L394 PolarHBondContact O-N 3.21Å; L394-G396 PolarHBondContact O-N 3.4Å
395I85Confident86.1Confident113 Ų11350.7 Ų50.758%0.57927%0.265SS*.Hα-helixtrans-64.5-26176.8-62170.7000110.7L391 I392 L393 R397L391-I395 PolarHBondContact O-N 3.28Å; I392-I395 WeakPolarHBondContact O-CB 3.47Å; I392-I395 PolarHBondContact O-N 2.95Å; L393-I395 VanDerWaalsContact C-N 3.26Å; L393-I395 PolarHBondContact O-N 3.46Å; I395-R397 PolarHBondContact O-N 3.31Å
396G71.1Confident85.8Confident32 Ų3250.6 Ų50.633%0.3327%0.265SS..  trans66.7-6.4165.900000117.1L393 L394 L398L393-G396 PolarHBondContact O-N 2.91Å; L393-G396 VanDerWaalsContact O-N 3.13Å; L394-G396 PolarHBondContact O-N 3.4Å; G396-L398 PolarHBondContact O-N 3.04Å
397R69.9Low85.7Confident190 Ų19050.4 Ų50.472%0.71726%0.263SS*.  trans-95.281.6-176.5-67.1-170.9178.3-163.3-0.6112.2I395 N399 A400 I401I395-R397 PolarHBondContact O-N 3.31Å; R397-N399 PolarHBondContact O-N 2.88Å; R397-N399 VanDerWaalsContact O-N 3.16Å; R397-A400 HydrophobicContact CB-CB 4.27Å; R397-A400 PolarHBondContact O-N 3.35Å; R397-I401 WeakPolarHBondContact O-CG1 3.32Å; R397-I401 PolarHBondContact O-N 3.12Å
398L67Low85.5Confident66 Ų6645.2 Ų45.235%0.34624%0.24SC..Hα-helixtrans-52.2-38.3178.5-56-177000113.3A119 G396 A400 I401 A402A119-L398 HydrophobicContact CB-CD1 4.1Å; A119-L398 HydrophobicContact CB-CD2 3.22Å; A119-L398 HydrophobicContact CB-CG 4.3Å; G396-L398 PolarHBondContact O-N 3.04Å; L398-A400 PolarHBondContact O-N 2.89Å; L398-I401 HydrophobicContact CD2-CD1 4.31Å; L398-I401 PolarHBondContact O-N 3.28Å; L398-A402 PolarHBondContact O-N 2.86Å; L398-A402 VanDerWaalsContact O-N 3.13Å
399N70.6Confident85.4Confident104 Ų10442.4 Ų42.456%0.55623%0.226SC*.Hα-helixtrans-61.1-26.6178.8-65.9-0.9000113.6R397 P403R397-N399 PolarHBondContact O-N 2.88Å; R397-N399 VanDerWaalsContact O-N 3.16Å; N399-P403 WeakPolarHBondContact O-CD 3.33Å; N399-P403 WeakPolarHBondContact O-CG 3.24Å
400A75.8Confident85.3Confident34 Ų3442.4 Ų42.428%0.28123%0.226SC..Hα-helixtrans-88.7-29.8174.200000112.2R397 L398 L404R397-A400 HydrophobicContact CB-CB 4.27Å; R397-A400 PolarHBondContact O-N 3.35Å; L398-A400 PolarHBondContact O-N 2.89Å; A400-L404 VanDerWaalsContact O-CB 3.25Å; A400-L404 WeakPolarHBondContact O-CB 3.41Å; A400-L404 PolarHBondContact O-N 3.21Å
401I83.9Confident85.3Confident8 Ų840.9 Ų40.94%0.04122%0.218CC..Hα-helixtrans-72.3-44.2-175.3-64166.8000111.2L116 I392 R397 L398 L404 V405L116-I401 HydrophobicContact CB-CG2 4.12Å; L116-I401 HydrophobicContact CD1-CG2 4.37Å; I392-I401 HydrophobicContact CG2-CD1 4.1Å; I392-I401 HydrophobicContact CG2-CG1 4.41Å; R397-I401 WeakPolarHBondContact O-CG1 3.32Å; R397-I401 PolarHBondContact O-N 3.12Å; L398-I401 HydrophobicContact CD2-CD1 4.31Å; L398-I401 PolarHBondContact O-N 3.28Å; I401-L404 WeakPolarHBondContact O-CB 3.29Å; I401-L404 PolarHBondContact O-N 2.96Å; I401-V405 HydrophobicContact CG2-CG2 4.06Å; I401-V405 VanDerWaalsContact O-CG2 3.28Å; I401-V405 WeakPolarHBondContact O-CG2 3.26Å; I401-V405 PolarHBondContact O-N 2.98Å
402A82Confident85.2Confident22 Ų2237.2 Ų37.218%0.18220%0.199CC..Hα-helixtrans-62.4-49.5-176.100000113.5L116 L398 L404 V405 S406L116-A402 HydrophobicContact CD1-CB 3.92Å; L116-A402 HydrophobicContact CD2-CB 4.23Å; L398-A402 PolarHBondContact O-N 2.86Å; L398-A402 VanDerWaalsContact O-N 3.13Å; A402-L404 VanDerWaalsContact C-N 3.31Å; A402-L404 PolarHBondContact O-N 3.14Å; A402-V405 PolarHBondContact O-N 2.98Å; A402-S406 PolarHBondContact O-N 3.26Å; A402-S406 VanDerWaalsContact O-N 3.13Å; A402-S406 PolarHBondContact O-OG 3.42Å
403P85.7Confident85.2Confident22 Ų2236.5 Ų36.514%0.14320%0.196CC..Hα-helixtrans-62.9-37.5174.7-21.533.7000112.7N399 S406 V407 I457 Q458 Y461N399-P403 WeakPolarHBondContact O-CD 3.33Å; N399-P403 WeakPolarHBondContact O-CG 3.24Å; P403-S406 PolarHBondContact O-N 3.3Å; P403-V407 WeakPolarHBondContact O-CG2 3.37Å; P403-V407 PolarHBondContact O-N 3.04Å; P403-I457 HydrophobicContact CB-CG2 4.33Å; P403-Q458 HydrophobicContact CB-CG 3.8Å; P403-Y461 HydrophobicContact CB-CD2 4.33Å; P403-Y461 HydrophobicContact CB-CE2 4.25Å
404L87.8Confident85.4Confident54 Ų5436.1 Ų36.128%0.28319%0.194SC..Hα-helixtrans-59.5-47.6176.2175.166000111.3A400 I401 A402 V407 L408A400-L404 VanDerWaalsContact O-CB 3.25Å; A400-L404 WeakPolarHBondContact O-CB 3.41Å; A400-L404 PolarHBondContact O-N 3.21Å; I401-L404 WeakPolarHBondContact O-CB 3.29Å; I401-L404 PolarHBondContact O-N 2.96Å; A402-L404 VanDerWaalsContact C-N 3.31Å; A402-L404 PolarHBondContact O-N 3.14Å; L404-V407 PolarHBondContact O-N 3.28Å; L404-L408 HydrophobicContact CD1-CD1 3.95Å; L404-L408 HydrophobicContact CD1-CG 4.12Å; L404-L408 HydrophobicContact CG-CD1 3.92Å; L404-L408 HydrophobicContact CG-CG 4.46Å; L404-L408 WeakPolarHBondContact O-CB 2.78Å; L404-L408 VanDerWaalsContact O-CG 3.23Å; L404-L408 WeakPolarHBondContact O-CG 3.22Å; L404-L408 PolarHBondContact O-N 3.19Å
405V90.3Very high85.6Confident0 Ų032.9 Ų32.90%018%0.178CC..Hα-helixtrans-59.1-48.6177.7170.30000110.8C112 I401 A402 V407 L408 F409C112-V405 HydrophobicContact CB-CG2 3.49Å; C112-V405 VanDerWaalsContact CB-CG2 3.49Å; I401-V405 HydrophobicContact CG2-CG2 4.06Å; I401-V405 VanDerWaalsContact O-CG2 3.28Å; I401-V405 WeakPolarHBondContact O-CG2 3.26Å; I401-V405 PolarHBondContact O-N 2.98Å; A402-V405 PolarHBondContact O-N 2.98Å; V405-V407 PolarHBondContact O-N 3.2Å; V405-L408 PolarHBondContact O-N 3.08Å; V405-F409 HydrophobicContact CG1-CD2 3.56Å; V405-F409 HydrophobicContact CG1-CE2 3.51Å; V405-F409 VanDerWaalsContact O-CD2 3.28Å; V405-F409 WeakPolarHBondContact O-CD2 3.42Å; V405-F409 PolarHBondContact O-N 3.49Å
406S89.9Confident85.9Confident0 Ų027.6 Ų27.60%015%0.151CC..Hα-helixtrans-60-44.5179-66.20000112.3A402 P403 F409 L410A402-S406 PolarHBondContact O-N 3.26Å; A402-S406 VanDerWaalsContact O-N 3.13Å; A402-S406 PolarHBondContact O-OG 3.42Å; P403-S406 PolarHBondContact O-N 3.3Å; S406-F409 PolarHBondContact O-N 2.67Å; S406-L410 VanDerWaalsContact O-CB 3.32Å; S406-L410 WeakPolarHBondContact O-CB 3.38Å; S406-L410 WeakPolarHBondContact O-CG 3.45Å; S406-L410 PolarHBondContact O-N 3.04Å
407V92.6Very high87.1Confident1 Ų126 Ų261%0.00614%0.135CC..Hα-helixtrans-63.7-44177.4169.50000111.5P403 L404 V405 L411 I457 Q458 A465P403-V407 WeakPolarHBondContact O-CG2 3.37Å; P403-V407 PolarHBondContact O-N 3.04Å; L404-V407 PolarHBondContact O-N 3.28Å; V405-V407 PolarHBondContact O-N 3.2Å; V407-L411 VanDerWaalsContact O-CB 3.27Å; V407-L411 WeakPolarHBondContact O-CB 3.5Å; V407-L411 PolarHBondContact O-N 3.39Å; V407-I457 HydrophobicContact CG2-CG2 4.14Å; V407-Q458 HydrophobicContact CG2-CB 4.32Å; V407-A465 HydrophobicContact CG1-CB 4.21Å
408L93Very high88.1Confident11 Ų1121.8 Ų21.86%0.05813%0.126CC..Hα-helixtrans-64.3-41.9179.5-69170.8000112I105 F108 A109 L404 V405 A412 A465I105-L408 HydrophobicContact CG2-CD2 4.07Å; F108-L408 HydrophobicContact CD1-CD1 3.63Å; F108-L408 HydrophobicContact CD1-CD2 4.43Å; F108-L408 HydrophobicContact CE1-CD1 3.89Å; A109-L408 HydrophobicContact CB-CB 3.73Å; L404-L408 HydrophobicContact CD1-CD1 3.95Å; L404-L408 HydrophobicContact CD1-CG 4.12Å; L404-L408 HydrophobicContact CG-CD1 3.92Å; L404-L408 HydrophobicContact CG-CG 4.46Å; L404-L408 WeakPolarHBondContact O-CB 2.78Å; L404-L408 VanDerWaalsContact O-CG 3.23Å; L404-L408 WeakPolarHBondContact O-CG 3.22Å; L404-L408 PolarHBondContact O-N 3.19Å; V405-L408 PolarHBondContact O-N 3.08Å; L408-A412 WeakPolarHBondContact O-CB 3.25Å; L408-A412 PolarHBondContact O-N 3.05Å; L408-A465 HydrophobicContact CD2-CB 4.39Å
409F93Very high89.2Confident0 Ų018.9 Ų18.90%011%0.112CC..Hα-helixtrans-68.8-46.6175.8-82.2-62.2000112.9F106 A109 T263 V405 S406 L411 A412 Y413F106-F409 HydrophobicContact CD2-CD1 4.15Å; F106-F409 HydrophobicContact CD2-CE1 4.08Å; F106-F409 AromaticContact CE2-CD1 3.75Å; F106-F409 HydrophobicContact CE2-CD1 3.75Å; F106-F409 AromaticContact CE2-CE1 3.49Å; F106-F409 HydrophobicContact CE2-CE1 3.49Å; F106-F409 VanDerWaalsContact CE2-CE1 3.49Å; F106-F409 HydrophobicContact CZ-CE1 4.35Å; A109-F409 HydrophobicContact CB-CD1 4.11Å; A109-F409 HydrophobicContact CB-CD2 4.41Å; A109-F409 HydrophobicContact CB-CE1 4Å; A109-F409 HydrophobicContact CB-CE2 4.35Å; A109-F409 HydrophobicContact CB-CG 4.3Å; A109-F409 HydrophobicContact CB-CZ 4.13Å; T263-F409 HydrophobicContact CG2-CB 3.98Å; T263-F409 HydrophobicContact CG2-CD2 3.82Å; T263-F409 HydrophobicContact CG2-CG 4.07Å; V405-F409 HydrophobicContact CG1-CD2 3.56Å; V405-F409 HydrophobicContact CG1-CE2 3.51Å; V405-F409 VanDerWaalsContact O-CD2 3.28Å; V405-F409 WeakPolarHBondContact O-CD2 3.42Å; V405-F409 PolarHBondContact O-N 3.49Å; S406-F409 PolarHBondContact O-N 2.67Å; F409-L411 VanDerWaalsContact C-N 3.26Å; F409-L411 PolarHBondContact O-N 3.28Å; F409-A412 CarbonylContact O-C 3.57Å; F409-A412 WeakPolarHBondContact O-CB 3.47Å; F409-A412 PolarHBondContact O-N 3.21Å; F409-A412 VanDerWaalsContact O-N 3.11Å; F409-Y413 HydrophobicContact CB-CE2 4.19Å; F409-Y413 HydrophobicContact CD1-CE1 4.2Å; F409-Y413 AromaticContact CD1-CZ 3.99Å; F409-Y413 WeakPolarHBondContact O-CB 3.46Å; F409-Y413 VanDerWaalsContact O-CD1 3.29Å; F409-Y413 WeakPolarHBondContact O-CD1 3.49Å; F409-Y413 PolarHBondContact O-N 3.46Å
410L93.8Very high90.1Very high0 Ų013.9 Ų13.90%09%0.085CC..Hα-helixtrans-60.5-38177.1-78169.1000111.5I64 F259 S406 Y413 A414 C450 M453 C454 I457I64-L410 HydrophobicContact CG2-CD2 4.47Å; F259-L410 HydrophobicContact CD1-CD1 4.31Å; F259-L410 HydrophobicContact CD1-CD2 4.42Å; F259-L410 HydrophobicContact CD1-CG 4.19Å; F259-L410 HydrophobicContact CE1-CD1 4.04Å; F259-L410 HydrophobicContact CE1-CD2 3.51Å; F259-L410 HydrophobicContact CE1-CG 3.45Å; F259-L410 VanDerWaalsContact CE1-CG 3.45Å; F259-L410 HydrophobicContact CE2-CD2 3.99Å; F259-L410 HydrophobicContact CZ-CD2 3.25Å; F259-L410 HydrophobicContact CZ-CG 3.79Å; S406-L410 VanDerWaalsContact O-CB 3.32Å; S406-L410 WeakPolarHBondContact O-CB 3.38Å; S406-L410 WeakPolarHBondContact O-CG 3.45Å; S406-L410 PolarHBondContact O-N 3.04Å; L410-Y413 PolarHBondContact O-N 3.18Å; L410-A414 WeakPolarHBondContact O-CB 3.32Å; L410-A414 PolarHBondContact O-N 3.36Å; L410-C450 HydrophobicContact CD2-CB 4.27Å; L410-C450 WeakPolarHBondContact O-CB 3.49Å; L410-M453 HydrophobicContact CD1-CB 3.92Å; L410-M453 HydrophobicContact CD2-CB 4.41Å; L410-C454 WeakPolarHBondContact CB-SG 3.42Å; L410-I457 HydrophobicContact CD1-CD1 3.56Å
411L92.9Very high90.9Very high13 Ų1312.9 Ų12.97%0.0688%0.077CC..Hα-helixtrans-66.9-39.7174.5-174.664000111.9I105 V407 F409 Y413 A414 S415 A465 I466 L469I105-L411 HydrophobicContact CD1-CD2 4.33Å; V407-L411 VanDerWaalsContact O-CB 3.27Å; V407-L411 WeakPolarHBondContact O-CB 3.5Å; V407-L411 PolarHBondContact O-N 3.39Å; F409-L411 VanDerWaalsContact C-N 3.26Å; F409-L411 PolarHBondContact O-N 3.28Å; L411-Y413 VanDerWaalsContact C-N 3.31Å; L411-Y413 PolarHBondContact O-N 3.49Å; L411-A414 PolarHBondContact O-N 2.87Å; L411-S415 WeakPolarHBondContact O-CB 3.39Å; L411-S415 PolarHBondContact O-N 3.13Å; L411-S415 PolarHBondContact O-OG 2.78Å; L411-A465 HydrophobicContact CD2-CB 3.58Å; L411-I466 HydrophobicContact CD1-CG1 3.89Å; L411-I466 HydrophobicContact CD2-CG1 4.38Å; L411-L469 HydrophobicContact CD1-CD2 4.47Å; L411-L469 HydrophobicContact CD2-CD2 4.45Å; L411-L469 HydrophobicContact CG-CD2 4.43Å
412A91.7Very high91Very high3 Ų313.5 Ų13.53%0.0259%0.085CC..Hα-helixtrans-62.4-39.6172.800000111.4F106 L408 F409 S415 V416F106-A412 HydrophobicContact CB-CB 4.39Å; F106-A412 HydrophobicContact CD2-CB 3.91Å; L408-A412 WeakPolarHBondContact O-CB 3.25Å; L408-A412 PolarHBondContact O-N 3.05Å; F409-A412 CarbonylContact O-C 3.57Å; F409-A412 WeakPolarHBondContact O-CB 3.47Å; F409-A412 PolarHBondContact O-N 3.21Å; F409-A412 VanDerWaalsContact O-N 3.11Å; A412-S415 WeakPolarHBondContact O-CB 3.18Å; A412-S415 PolarHBondContact O-N 3.35Å; A412-V416 WeakPolarHBondContact O-CG2 3.36Å; A412-V416 PolarHBondContact O-N 3.13Å
413Y94.3Very high91.3Very high0 Ų012.7 Ų12.70%08%0.078CC..Hα-helixtrans-69.6-42.5178.2-62.5-10.1000112L65 T68 F259 T263 I265 M266 F409 L410 L411 S415 V416 N417L65-Y413 HydrophobicContact CD2-CD2 4.24Å; L65-Y413 HydrophobicContact CD2-CE2 3.81Å; T68-Y413 HydrophobicContact CG2-CD1 3.96Å; T68-Y413 HydrophobicContact CG2-CD2 4.39Å; T68-Y413 HydrophobicContact CG2-CG 3.75Å; F259-Y413 HydrophobicContact CZ-CD2 4.49Å; F259-Y413 HydrophobicContact CZ-CE2 4.47Å; T263-Y413 PolarHBondContact O-OH 3.01Å; I265-Y413 HydrophobicContact CD1-CD2 4.5Å; I265-Y413 HydrophobicContact CD1-CE1 4.27Å; I265-Y413 HydrophobicContact CD1-CE2 4.01Å; I265-Y413 HydrophobicContact CG1-CE1 4.4Å; I265-Y413 HydrophobicContact CG1-CE2 4.21Å; M266-Y413 HydrophobicContact CE-CD1 3.37Å; M266-Y413 HydrophobicContact CE-CE1 3.36Å; M266-Y413 HydrophobicContact CG-CE1 4.09Å; M266-Y413 HydrophobicContact SD-CD1 4.16Å; M266-Y413 HydrophobicContact SD-CE1 3.57Å; M266-Y413 VanDerWaalsContact SD-CE1 3.57Å; F409-Y413 HydrophobicContact CB-CE2 4.19Å; F409-Y413 HydrophobicContact CD1-CE1 4.2Å; F409-Y413 AromaticContact CD1-CZ 3.99Å; F409-Y413 WeakPolarHBondContact O-CB 3.46Å; F409-Y413 VanDerWaalsContact O-CD1 3.29Å; F409-Y413 WeakPolarHBondContact O-CD1 3.49Å; F409-Y413 PolarHBondContact O-N 3.46Å; L410-Y413 PolarHBondContact O-N 3.18Å; L411-Y413 VanDerWaalsContact C-N 3.31Å; L411-Y413 PolarHBondContact O-N 3.49Å; Y413-S415 PolarHBondContact O-N 3.24Å; Y413-V416 PolarHBondContact O-N 3.37Å; Y413-N417 WeakPolarHBondContact O-CB 3.23Å; Y413-N417 PolarHBondContact O-N 2.94Å; Y413-N417 PolarHBondContact O-ND2 2.97Å; Y413-N417 VanDerWaalsContact O-ND2 3.14Å
414A94.9Very high91.4Very high6 Ų614.2 Ų14.25%0.059%0.085CC..Hα-helixtrans-55.8-41.917000000111L410 L411 N417 L418 C450 I451L410-A414 WeakPolarHBondContact O-CB 3.32Å; L410-A414 PolarHBondContact O-N 3.36Å; L411-A414 PolarHBondContact O-N 2.87Å; A414-N417 PolarHBondContact O-N 3.34Å; A414-L418 WeakPolarHBondContact O-CB 3.21Å; A414-L418 PolarHBondContact O-N 2.89Å; A414-C450 HydrophobicContact CB-CB 3.74Å; A414-I451 HydrophobicContact CB-CG1 4Å
415S92.2Very high91.2Very high12 Ų1214.9 Ų14.98%0.08410%0.098CC..Hα-helixtrans-68.9-39179.5-56.20000112.9L411 A412 Y413 L418 A419L411-S415 WeakPolarHBondContact O-CB 3.39Å; L411-S415 PolarHBondContact O-N 3.13Å; L411-S415 PolarHBondContact O-OG 2.78Å; A412-S415 WeakPolarHBondContact O-CB 3.18Å; A412-S415 PolarHBondContact O-N 3.35Å; Y413-S415 PolarHBondContact O-N 3.24Å; S415-L418 PolarHBondContact O-N 3.49Å; S415-A419 VanDerWaalsContact O-CB 3.29Å; S415-A419 WeakPolarHBondContact O-CB 3.43Å; S415-A419 PolarHBondContact O-N 3.35Å
416V92.3Very high90.9Very high1 Ų115.3 Ų15.31%0.00610%0.101CC..Hα-helixtrans-64.6-42.5174.2174.60000111I72 I75 V86 L90 M266 A412 Y413 A419 C420I72-V416 HydrophobicContact CG1-CG1 4.16Å; I75-V416 HydrophobicContact CD1-CG1 3.96Å; V86-V416 HydrophobicContact CG1-CG2 4.32Å; L90-V416 HydrophobicContact CD1-CG2 3.82Å; L90-V416 HydrophobicContact CD2-CG1 4.49Å; L90-V416 HydrophobicContact CD2-CG2 4.2Å; M266-V416 HydrophobicContact CE-CG2 3.76Å; A412-V416 WeakPolarHBondContact O-CG2 3.36Å; A412-V416 PolarHBondContact O-N 3.13Å; Y413-V416 PolarHBondContact O-N 3.37Å; V416-A419 WeakPolarHBondContact O-CB 3.38Å; V416-A419 PolarHBondContact O-N 2.93Å; V416-C420 PolarHBondContact O-N 3.44Å; V416-C420 VanDerWaalsContact O-N 3.07Å
417N94.8Very high90.5Very high0 Ų019.4 Ų19.40%013%0.13CC..Hα-helixtrans-67.2-39.5176.4-75.8-31.9000112.2T68 S71 Y413 A414 A419 A421 S443 G446 M447T68-N417 WeakPolarHBondContact CA-OD1 3.24Å; T68-N417 PolarHBondContact OG1-ND2 2.86Å; T68-N417 VanDerWaalsContact OG1-ND2 3.08Å; S71-N417 VanDerWaalsContact CB-OD1 3.24Å; S71-N417 WeakPolarHBondContact CB-OD1 3.24Å; S71-N417 PolarHBondContact OG-OD1 3.14Å; Y413-N417 WeakPolarHBondContact O-CB 3.23Å; Y413-N417 PolarHBondContact O-N 2.94Å; Y413-N417 PolarHBondContact O-ND2 2.97Å; Y413-N417 VanDerWaalsContact O-ND2 3.14Å; A414-N417 PolarHBondContact O-N 3.34Å; N417-A419 VanDerWaalsContact C-N 3.33Å; N417-A421 WeakPolarHBondContact O-CB 3.42Å; N417-A421 PolarHBondContact O-N 2.96Å; N417-A421 VanDerWaalsContact O-N 3.1Å; N417-S443 WeakPolarHBondContact CB-O 3.29Å; N417-S443 PolarHBondContact O-OG 3.3Å; N417-G446 VanDerWaalsContact ND2-C 3.3Å; N417-M447 HydrophobicContact CB-CB 3.83Å
418L92.4Very high90Very high100 Ų10020.6 Ų20.652%0.52414%0.138SC..Hα-helixtrans-63-41.6172.3176.360.2000111.3A414 S415 A421 G422 M447A414-L418 WeakPolarHBondContact O-CB 3.21Å; A414-L418 PolarHBondContact O-N 2.89Å; S415-L418 PolarHBondContact O-N 3.49Å; L418-A421 PolarHBondContact O-N 3.38Å; L418-G422 PolarHBondContact O-N 2.97Å; L418-M447 HydrophobicContact CB-CG 4.43Å; L418-M447 HydrophobicContact CB-SD 3.76Å; L418-M447 HydrophobicContact CD1-SD 3.7Å; L418-M447 HydrophobicContact CG-SD 4.22Å
419A89Confident89.4Confident5 Ų524.8 Ų24.84%0.04117%0.166CC..Hα-helixtrans-59.3-49178.700000112.1L90 L94 S415 V416 N417 G422 L423L90-A419 HydrophobicContact CD2-CB 4Å; L94-A419 HydrophobicContact CD1-CB 3.33Å; L94-A419 HydrophobicContact CD2-CB 3.68Å; L94-A419 HydrophobicContact CG-CB 3.82Å; S415-A419 VanDerWaalsContact O-CB 3.29Å; S415-A419 WeakPolarHBondContact O-CB 3.43Å; S415-A419 PolarHBondContact O-N 3.35Å; V416-A419 WeakPolarHBondContact O-CB 3.38Å; V416-A419 PolarHBondContact O-N 2.93Å; N417-A419 VanDerWaalsContact C-N 3.33Å; A419-G422 PolarHBondContact O-N 3.36Å; A419-L423 WeakPolarHBondContact O-CB 3.29Å; A419-L423 WeakPolarHBondContact O-CD1 3.38Å; A419-L423 WeakPolarHBondContact O-CG 3.33Å; A419-L423 PolarHBondContact O-N 3.06Å
420C90.6Very high88.9Confident0 Ų031.6 Ų31.60%020%0.202CC..Hα-helixtrans-62.2-43.2176.5-810000113.1S71 I75 V416 G422 L423 D424 F438 S443S71-C420 PolarHBondContact O-SG 3.45Å; S71-C420 VanDerWaalsContact O-SG 3.42Å; I75-C420 WeakPolarHBondContact CD1-SG 3.48Å; I75-C420 WeakPolarHBondContact CG1-SG 3.47Å; V416-C420 PolarHBondContact O-N 3.44Å; V416-C420 VanDerWaalsContact O-N 3.07Å; C420-G422 VanDerWaalsContact C-N 3.32Å; C420-G422 PolarHBondContact O-N 3.34Å; C420-L423 PolarHBondContact O-N 3.2Å; C420-D424 PolarHBondContact O-N 3.04Å; C420-F438 HydrophobicContact CB-CE2 3.67Å; C420-F438 HydrophobicContact CB-CZ 3.84Å; C420-S443 WeakPolarHBondContact CB-OG 3.27Å
421A91.5Very high88.4Confident12 Ų1232.5 Ų32.510%0.09921%0.206CC..Hα-helixtrans-63.5-40.1176.300000111.5N417 L418 A425 S443 I444N417-A421 WeakPolarHBondContact O-CB 3.42Å; N417-A421 PolarHBondContact O-N 2.96Å; N417-A421 VanDerWaalsContact O-N 3.1Å; L418-A421 PolarHBondContact O-N 3.38Å; A421-A425 VanDerWaalsContact O-CB 3.29Å; A421-A425 WeakPolarHBondContact O-CB 3.39Å; A421-A425 PolarHBondContact O-N 2.85Å; A421-S443 PolarHBondContact N-OG 2.87Å; A421-I444 HydrophobicContact CB-CG1 3.89Å
422G87.2Confident88.2Confident22 Ų2240.9 Ų40.923%0.22724%0.237CC..Hα-helixtrans-67-38.8176.400000113.5L418 A419 C420 A426L418-G422 PolarHBondContact O-N 2.97Å; A419-G422 PolarHBondContact O-N 3.36Å; C420-G422 VanDerWaalsContact C-N 3.32Å; C420-G422 PolarHBondContact O-N 3.34Å; G422-A426 VanDerWaalsContact O-CB 3.29Å; G422-A426 WeakPolarHBondContact O-CB 3.4Å; G422-A426 PolarHBondContact O-N 3.06Å
423L86.6Confident88Confident4 Ų442.6 Ų42.62%0.02125%0.248CC..Hα-helixtrans-63.3-46.1174.6-78.3159.2000111.5T93 L94 A419 C420 A426 S427 P428 F431 I488T93-L423 HydrophobicContact CG2-CD1 4.38Å; L94-L423 HydrophobicContact CD2-CG 4.46Å; A419-L423 WeakPolarHBondContact O-CB 3.29Å; A419-L423 WeakPolarHBondContact O-CD1 3.38Å; A419-L423 WeakPolarHBondContact O-CG 3.33Å; A419-L423 PolarHBondContact O-N 3.06Å; C420-L423 PolarHBondContact O-N 3.2Å; L423-A426 PolarHBondContact O-N 3.28Å; L423-S427 PolarHBondContact O-N 3.05Å; L423-P428 HydrophobicContact CD2-CG 4.29Å; L423-P428 WeakPolarHBondContact O-CD 3.48Å; L423-F431 HydrophobicContact CB-CD1 4.3Å; L423-F431 HydrophobicContact CB-CD2 3.82Å; L423-F431 HydrophobicContact CB-CE1 4.29Å; L423-F431 HydrophobicContact CB-CE2 3.83Å; L423-F431 HydrophobicContact CB-CG 4.07Å; L423-F431 HydrophobicContact CB-CZ 4.07Å; L423-F431 HydrophobicContact CD1-CD2 4.1Å; L423-F431 HydrophobicContact CD1-CE2 3.92Å; L423-F431 HydrophobicContact CD2-CD2 4.21Å; L423-F431 HydrophobicContact CG-CD2 4.28Å; L423-F431 HydrophobicContact CG-CE2 4.4Å; L423-I488 HydrophobicContact CD2-CD1 3.44Å; L423-I488 VanDerWaalsContact CD2-CD1 3.44Å; L423-I488 HydrophobicContact CD2-CG1 4.23Å; L423-I488 HydrophobicContact CG-CD1 4.21Å
424D87.8Confident87.7Confident55 Ų5548.1 Ų48.129%0.29428%0.282SS..Hα-helixtrans-65.4-43.9178.4-158.658.5000111.3C420 A426 S427 F431 W440C420-D424 PolarHBondContact O-N 3.04Å; D424-A426 VanDerWaalsContact C-N 3.33Å; D424-A426 PolarHBondContact O-N 3.17Å; D424-S427 PolarHBondContact O-N 3.02Å; D424-S427 PolarHBondContact O-OG 3.42Å; D424-F431 HydrophobicContact CB-CE1 4.19Å; D424-W440 HydrophobicContact CB-CB 4.25Å; D424-W440 WeakPolarHBondContact OD2-CB 3.48Å
425A85.3Confident87.4Confident67 Ų6749.1 Ų49.155%0.55429%0.285SS*.Hα-helixtrans-63.3-35.1176.900000113.5A421 S427A421-A425 VanDerWaalsContact O-CB 3.29Å; A421-A425 WeakPolarHBondContact O-CB 3.39Å; A421-A425 PolarHBondContact O-N 2.85Å; A425-S427 VanDerWaalsContact C-N 3.32Å
426A83.1Confident87.2Confident9 Ų959.3 Ų59.37%0.07432%0.322CS..Hα-helixtrans-74.3-25.3173.700000112.4G422 L423 D424 P428 I488 A491 L492G422-A426 VanDerWaalsContact O-CB 3.29Å; G422-A426 WeakPolarHBondContact O-CB 3.4Å; G422-A426 PolarHBondContact O-N 3.06Å; L423-A426 PolarHBondContact O-N 3.28Å; D424-A426 VanDerWaalsContact C-N 3.33Å; D424-A426 PolarHBondContact O-N 3.17Å; A426-P428 VanDerWaalsContact C-CD 3.48Å; A426-P428 VanDerWaalsContact C-N 3.32Å; A426-I488 HydrophobicContact CB-CD1 3.98Å; A426-A491 HydrophobicContact CB-CB 4.42Å; A426-L492 HydrophobicContact CB-CD2 3.59Å; A426-L492 HydrophobicContact CB-CG 3.91Å
427S81.6Confident87.1Confident86 Ų8666.8 Ų66.860%0.60135%0.351SS*.  trans42.749.6-174.1-57.50000113.4L423 D424 A425L423-S427 PolarHBondContact O-N 3.05Å; D424-S427 PolarHBondContact O-N 3.02Å; D424-S427 PolarHBondContact O-OG 3.42Å; A425-S427 VanDerWaalsContact C-N 3.32Å
428P80.9Confident86.9Confident26 Ų2668 Ų6817%0.16936%0.356CS..  trans-64.2140.3176.629.8-31.1000108.4L423 A426 N430 F431 I488 A491L423-P428 HydrophobicContact CD2-CG 4.29Å; L423-P428 WeakPolarHBondContact O-CD 3.48Å; A426-P428 VanDerWaalsContact C-CD 3.48Å; A426-P428 VanDerWaalsContact C-N 3.32Å; P428-N430 PolarHBondContact O-N 3.49Å; P428-F431 HydrophobicContact CG-CB 3.8Å; P428-F431 PolarHBondContact O-N 2.76Å; P428-I488 HydrophobicContact CG-CD1 4.16Å; P428-A491 HydrophobicContact CB-CB 4.45Å
429P82.1Confident86.9Confident99 Ų9966.7 Ų66.764%0.64335%0.35SS*.THydrogen-bonded Turntrans-56.6-24-175.4-28.334.7000115.2F431 R432P429-F431 VanDerWaalsContact C-N 3.33Å; P429-R432 PolarHBondContact O-NE 3.1Å
430N81.1Confident86.9Confident144 Ų14472.6 Ų72.677%0.7737%0.371SS*.THydrogen-bonded Turntrans-78.2-14.2178-67.3-9.9000113.3N78 P428 R432N78-N430 PolarHBondContact OD1-O 3.03Å; P428-N430 PolarHBondContact O-N 3.49Å; N430-R432 PolarHBondContact O-N 2.92Å
431F84.8Confident87.1Confident19 Ų1977.3 Ų77.38%0.08340%0.395CS..  trans-86.296.4175.3-172.5-106.3000109.6N78 L423 D424 P428 P429 P433 F438N78-F431 VanDerWaalsContact OD1-CA 3.31Å; N78-F431 WeakPolarHBondContact OD1-CA 3.45Å; L423-F431 HydrophobicContact CB-CD1 4.3Å; L423-F431 HydrophobicContact CB-CD2 3.82Å; L423-F431 HydrophobicContact CB-CE1 4.29Å; L423-F431 HydrophobicContact CB-CE2 3.83Å; L423-F431 HydrophobicContact CB-CG 4.07Å; L423-F431 HydrophobicContact CB-CZ 4.07Å; L423-F431 HydrophobicContact CD1-CD2 4.1Å; L423-F431 HydrophobicContact CD1-CE2 3.92Å; L423-F431 HydrophobicContact CD2-CD2 4.21Å; L423-F431 HydrophobicContact CG-CD2 4.28Å; L423-F431 HydrophobicContact CG-CE2 4.4Å; D424-F431 HydrophobicContact CB-CE1 4.19Å; P428-F431 HydrophobicContact CG-CB 3.8Å; P428-F431 PolarHBondContact O-N 2.76Å; P429-F431 VanDerWaalsContact C-N 3.33Å; F431-P433 HydrophobicContact CD1-CG 4.5Å; F431-P433 HydrophobicContact CE1-CG 3.95Å; F431-P433 HydrophobicContact CZ-CG 4Å; F431-F438 AromaticContact CE1-CE1 3.97Å; F431-F438 HydrophobicContact CE1-CE1 3.97Å; F431-F438 AromaticContact CZ-CE1 3.83Å; F431-F438 HydrophobicContact CZ-CE1 3.83Å; F431-F438 HydrophobicContact CZ-CZ 4.11Å
432R87.8Confident87.2Confident189 Ų18978.2 Ų78.271%0.71340%0.4SS*.  trans-13468.1-179.9-60.6-176.9-171.4-169.5-2.1110.1N78 P429 N430 T434N78-R432 PolarHBondContact OD1-N 2.97Å; P429-R432 PolarHBondContact O-NE 3.1Å; N430-R432 PolarHBondContact O-N 2.92Å; R432-T434 PolarHBondContact O-N 2.88Å
433P88.3Confident87.6Confident39 Ų3977.2 Ų77.225%0.25339%0.389SS..  trans-61128.9179.626.8-34.2000110.1A74 F431 F435 F438A74-P433 HydrophobicContact CB-CB 3.97Å; F431-P433 HydrophobicContact CD1-CG 4.5Å; F431-P433 HydrophobicContact CE1-CG 3.95Å; F431-P433 HydrophobicContact CZ-CG 4Å; P433-F435 VanDerWaalsContact C-N 3.27Å; P433-F438 HydrophobicContact CG-CD1 4.08Å; P433-F438 HydrophobicContact CG-CE1 4.44Å
434T87.4Confident88Confident116 Ų11679.3 Ų79.371%0.71240%0.4SS*.  trans-84.2-7.1174.971.10000112.1T77 R432 R436T77-T434 VanDerWaalsContact CB-OG1 3.31Å; T77-T434 WeakPolarHBondContact CB-OG1 3.04Å; T77-T434 PolarHBondContact OG1-N 3.43Å; R432-T434 PolarHBondContact O-N 2.88Å; T434-R436 PolarHBondContact O-N 3.39Å
435F89.5Confident88.4Confident27 Ų2780.4 Ų80.412%0.11841%0.405CS..  trans-77.8114.5-180-175.4-106.6000111.8F70 C73 T77 P283 L287 P433 Y437 F438F70-F435 HydrophobicContact CB-CE1 4.13Å; F70-F435 AromaticContact CD1-CE1 3.64Å; F70-F435 HydrophobicContact CD1-CE1 3.64Å; F70-F435 AromaticContact CD1-CZ 3.79Å; F70-F435 HydrophobicContact CD1-CZ 3.79Å; F70-F435 HydrophobicContact CE1-CE1 4.35Å; F70-F435 HydrophobicContact CE1-CZ 4.17Å; F70-F435 HydrophobicContact CG-CE1 4.09Å; C73-F435 HydrophobicContact CB-CB 4.23Å; C73-F435 HydrophobicContact CB-CD1 3.58Å; C73-F435 HydrophobicContact CB-CD2 3.73Å; C73-F435 HydrophobicContact CB-CE1 3.76Å; C73-F435 HydrophobicContact CB-CE2 3.92Å; C73-F435 HydrophobicContact CB-CG 3.56Å; C73-F435 HydrophobicContact CB-CZ 3.93Å; T77-F435 HydrophobicContact CG2-CB 4.26Å; T77-F435 PolarHBondContact OG1-N 2.83Å; P283-F435 HydrophobicContact CB-CD2 4.27Å; P283-F435 HydrophobicContact CB-CE2 4.34Å; L287-F435 HydrophobicContact CD1-CE2 3.9Å; L287-F435 HydrophobicContact CD1-CZ 3.95Å; P433-F435 VanDerWaalsContact C-N 3.27Å; F435-Y437 HydrophobicContact CE2-CD2 4.27Å; F435-Y437 AromaticContact CZ-CD2 3.96Å; F435-Y437 HydrophobicContact CZ-CD2 3.96Å; F435-Y437 HydrophobicContact CZ-CG 4.4Å; F435-Y437 PolarHBondContact O-N 2.81Å; F435-F438 HydrophobicContact CD1-CB 3.93Å
436R88Confident88.9Confident225 Ų22577.2 Ų77.285%0.84938%0.379SS*.THydrogen-bonded Turntrans-67.9-31.3-170.3-174.2177.3178-177.50.3115.7T434 F438T434-R436 PolarHBondContact O-N 3.39Å; R436-F438 VanDerWaalsContact C-N 3.27Å; R436-F438 PolarHBondContact O-N 3.48Å
437Y89.4Confident89.5Confident158 Ų15878.5 Ų78.562%0.6238%0.384SS*.THydrogen-bonded Turntrans-86.43.4-174.8-61.5-75.9000113.7F435F435-Y437 HydrophobicContact CE2-CD2 4.27Å; F435-Y437 AromaticContact CZ-CD2 3.96Å; F435-Y437 HydrophobicContact CZ-CD2 3.96Å; F435-Y437 HydrophobicContact CZ-CG 4.4Å; F435-Y437 PolarHBondContact O-N 2.81Å
438F91.1Very high90.2Very high25 Ų2578.2 Ų78.211%0.1137%0.374CS..  trans-80.4134.8174.7172.7-102.8000111.4A74 C420 F431 P433 F435 R436A74-F438 HydrophobicContact CB-CB 3.78Å; A74-F438 HydrophobicContact CB-CD1 3.86Å; A74-F438 HydrophobicContact CB-CD2 3.45Å; A74-F438 VanDerWaalsContact CB-CD2 3.45Å; A74-F438 HydrophobicContact CB-CE1 4.32Å; A74-F438 HydrophobicContact CB-CE2 3.96Å; A74-F438 HydrophobicContact CB-CG 3.39Å; A74-F438 HydrophobicContact CB-CZ 4.36Å; C420-F438 HydrophobicContact CB-CE2 3.67Å; C420-F438 HydrophobicContact CB-CZ 3.84Å; F431-F438 AromaticContact CE1-CE1 3.97Å; F431-F438 HydrophobicContact CE1-CE1 3.97Å; F431-F438 AromaticContact CZ-CE1 3.83Å; F431-F438 HydrophobicContact CZ-CE1 3.83Å; F431-F438 HydrophobicContact CZ-CZ 4.11Å; P433-F438 HydrophobicContact CG-CD1 4.08Å; P433-F438 HydrophobicContact CG-CE1 4.44Å; F435-F438 HydrophobicContact CD1-CB 3.93Å; R436-F438 VanDerWaalsContact C-N 3.27Å; R436-F438 PolarHBondContact O-N 3.48Å
439N91.2Very high90.9Very high73 Ų7377.8 Ų77.839%0.3938%0.375SS..  trans-147144171.2-174.8-37.2000109.2I441 T442 S443N439-I441 PolarHBondContact O-N 3.36Å; N439-I441 VanDerWaalsContact O-N 3.14Å; N439-I441 PolarHBondContact OD1-N 3.36Å; N439-T442 HydrophobicContact CB-CG2 4.23Å; N439-T442 PolarHBondContact N-OG1 3.1Å; N439-T442 PolarHBondContact O-N 3.36Å; N439-T442 PolarHBondContact O-OG1 3.49Å; N439-S443 PolarHBondContact O-N 3.35Å; N439-S443 VanDerWaalsContact O-N 3.12Å
440W89.9Confident91.5Very high130 Ų13073.1 Ų73.149%0.49235%0.345SS..Hα-helixtrans-53.5-34.3176.579.4-77.1000113.3D424 S443 I444D424-W440 HydrophobicContact CB-CB 4.25Å; D424-W440 WeakPolarHBondContact OD2-CB 3.48Å; W440-S443 VanDerWaalsContact O-CB 3.29Å; W440-S443 WeakPolarHBondContact O-CB 3.48Å; W440-S443 PolarHBondContact O-N 2.91Å; W440-I444 HydrophobicContact CE3-CD1 3.31Å; W440-I444 HydrophobicContact CE3-CG1 4.22Å; W440-I444 HydrophobicContact CH2-CD1 4.42Å; W440-I444 HydrophobicContact CZ3-CD1 3.25Å; W440-I444 PolarHBondContact O-N 3.35Å
441I94Very high92.2Very high98 Ų9869.6 Ų69.650%0.50333%0.325SS..Hα-helixtrans-62.5-46.1176.1-58.9176.1000110.5N439 S443 I444 L445N439-I441 PolarHBondContact O-N 3.36Å; N439-I441 VanDerWaalsContact O-N 3.14Å; N439-I441 PolarHBondContact OD1-N 3.36Å; I441-S443 PolarHBondContact O-N 3.43Å; I441-I444 PolarHBondContact O-N 3.1Å; I441-L445 VanDerWaalsContact O-CB 3.32Å; I441-L445 WeakPolarHBondContact O-CB 3.34Å; I441-L445 PolarHBondContact O-N 2.87Å
442T94.5Very high92.6Very high32 Ų3272.8 Ų72.820%0.19634%0.342CS..Hα-helixtrans-62.1-36.1177.661.70000111.3L67 N439 G446L67-T442 HydrophobicContact CD2-CG2 4.27Å; N439-T442 HydrophobicContact CB-CG2 4.23Å; N439-T442 PolarHBondContact N-OG1 3.1Å; N439-T442 PolarHBondContact O-N 3.36Å; N439-T442 PolarHBondContact O-OG1 3.49Å; T442-G446 PolarHBondContact O-N 2.88Å
443S94.5Very high92.8Very high0 Ų064.7 Ų64.70%031%0.313CS..Hα-helixtrans-65-49.7175.2-1520000111.6S71 N417 C420 A421 N439 W440 I441 L445 G446 M447S71-S443 PolarHBondContact OG-OG 2.94Å; N417-S443 WeakPolarHBondContact CB-O 3.29Å; N417-S443 PolarHBondContact O-OG 3.3Å; C420-S443 WeakPolarHBondContact CB-OG 3.27Å; A421-S443 PolarHBondContact N-OG 2.87Å; N439-S443 PolarHBondContact O-N 3.35Å; N439-S443 VanDerWaalsContact O-N 3.12Å; W440-S443 VanDerWaalsContact O-CB 3.29Å; W440-S443 WeakPolarHBondContact O-CB 3.48Å; W440-S443 PolarHBondContact O-N 2.91Å; I441-S443 PolarHBondContact O-N 3.43Å; S443-L445 PolarHBondContact O-N 3.27Å; S443-G446 PolarHBondContact O-N 3.48Å; S443-M447 PolarHBondContact O-N 2.89Å
444I96.2Very high93Very high48 Ų4863 Ų6325%0.24630%0.301CS..Hα-helixtrans-63.8-41.9178-71.9-176.3000111.5A421 W440 I441 G446 M447 I448A421-I444 HydrophobicContact CB-CG1 3.89Å; W440-I444 HydrophobicContact CE3-CD1 3.31Å; W440-I444 HydrophobicContact CE3-CG1 4.22Å; W440-I444 HydrophobicContact CH2-CD1 4.42Å; W440-I444 HydrophobicContact CZ3-CD1 3.25Å; W440-I444 PolarHBondContact O-N 3.35Å; I441-I444 PolarHBondContact O-N 3.1Å; I444-G446 VanDerWaalsContact C-N 3.29Å; I444-G446 PolarHBondContact O-N 2.87Å; I444-M447 HydrophobicContact CG2-CE 4.35Å; I444-M447 WeakPolarHBondContact O-CB 3.49Å; I444-M447 PolarHBondContact O-N 3Å; I444-I448 HydrophobicContact CG2-CD1 3.65Å; I444-I448 HydrophobicContact CG2-CG1 4.25Å; I444-I448 WeakPolarHBondContact O-CG1 3.46Å; I444-I448 PolarHBondContact O-N 3.26Å
445L96.1Very high93.2Very high79 Ų7961.3 Ų61.341%0.41429%0.288SS..Hα-helixtrans-60.8-41.8176.7-173.364.4000111.1F63 L67 I441 S443 I448 G449F63-L445 HydrophobicContact CE1-CD2 4.03Å; F63-L445 HydrophobicContact CE1-CG 4.43Å; F63-L445 HydrophobicContact CZ-CD2 3.67Å; L67-L445 HydrophobicContact CD1-CB 4.05Å; L67-L445 HydrophobicContact CD1-CD2 3.89Å; L67-L445 HydrophobicContact CD1-CG 3.74Å; L67-L445 HydrophobicContact CD2-CD2 4.46Å; I441-L445 VanDerWaalsContact O-CB 3.32Å; I441-L445 WeakPolarHBondContact O-CB 3.34Å; I441-L445 PolarHBondContact O-N 2.87Å; S443-L445 PolarHBondContact O-N 3.27Å; L445-I448 PolarHBondContact O-N 3.02Å; L445-G449 PolarHBondContact O-N 2.98Å
446G96.2Very high93.3Very high0 Ų064.4 Ų64.40%031%0.305CS..Hα-helixtrans-63.6-42.4174.800000112.4N417 T442 S443 I444 C450N417-G446 VanDerWaalsContact ND2-C 3.3Å; T442-G446 PolarHBondContact O-N 2.88Å; S443-G446 PolarHBondContact O-N 3.48Å; I444-G446 VanDerWaalsContact C-N 3.29Å; I444-G446 PolarHBondContact O-N 2.87Å; G446-C450 WeakPolarHBondContact O-CB 3.28Å; G446-C450 PolarHBondContact O-N 3.5Å; G446-C450 PolarHBondContact O-SG 3.32Å
447M95.7Very high93.3Very high36 Ų3653.9 Ų53.918%0.17727%0.266CS..Hα-helixtrans-61.1-50.9175.7178.5-170.567.500111.6N417 L418 S443 I444 C450 I451N417-M447 HydrophobicContact CB-CB 3.83Å; L418-M447 HydrophobicContact CB-CG 4.43Å; L418-M447 HydrophobicContact CB-SD 3.76Å; L418-M447 HydrophobicContact CD1-SD 3.7Å; L418-M447 HydrophobicContact CG-SD 4.22Å; S443-M447 PolarHBondContact O-N 2.89Å; I444-M447 HydrophobicContact CG2-CE 4.35Å; I444-M447 WeakPolarHBondContact O-CB 3.49Å; I444-M447 PolarHBondContact O-N 3Å; M447-C450 PolarHBondContact O-N 3.39Å; M447-I451 HydrophobicContact CG-CD1 3.93Å; M447-I451 WeakPolarHBondContact O-CG1 3.46Å; M447-I451 PolarHBondContact O-N 2.93Å
448I96.2Very high93.3Very high79 Ų7949.9 Ų49.941%0.40525%0.253SS..Hα-helixtrans-62.3-46179.9-68.5171.7000110.1I444 L445 C450 I451 I452I444-I448 HydrophobicContact CG2-CD1 3.65Å; I444-I448 HydrophobicContact CG2-CG1 4.25Å; I444-I448 WeakPolarHBondContact O-CG1 3.46Å; I444-I448 PolarHBondContact O-N 3.26Å; L445-I448 PolarHBondContact O-N 3.02Å; I448-C450 VanDerWaalsContact C-N 3.33Å; I448-C450 PolarHBondContact O-N 2.98Å; I448-I451 PolarHBondContact O-N 3.16Å; I448-I452 HydrophobicContact CG2-CD1 3.62Å; I448-I452 HydrophobicContact CG2-CG1 4.28Å; I448-I452 WeakPolarHBondContact O-CB 3.36Å; I448-I452 VanDerWaalsContact O-CG1 3.32Å; I448-I452 WeakPolarHBondContact O-CG1 3.24Å; I448-I452 PolarHBondContact O-N 3.01Å
449G94.8Very high93.3Very high18 Ų1852 Ų5219%0.18627%0.269CS..Hα-helixtrans-57.9-43.7176.500000112.7L445 M453L445-G449 PolarHBondContact O-N 2.98Å; G449-M453 WeakPolarHBondContact O-CB 3.5Å; G449-M453 WeakPolarHBondContact O-CG 3.32Å; G449-M453 PolarHBondContact O-N 3.38Å
450C95.1Very high93.3Very high0 Ų054.2 Ų54.20%028%0.28CS..Hα-helixtrans-64.6-44.2176.7-68.70000112.5I64 L410 A414 G446 M447 I448 M453 C454I64-C450 WeakPolarHBondContact CG2-SG 3.29Å; L410-C450 HydrophobicContact CD2-CB 4.27Å; L410-C450 WeakPolarHBondContact O-CB 3.49Å; A414-C450 HydrophobicContact CB-CB 3.74Å; G446-C450 WeakPolarHBondContact O-CB 3.28Å; G446-C450 PolarHBondContact O-N 3.5Å; G446-C450 PolarHBondContact O-SG 3.32Å; M447-C450 PolarHBondContact O-N 3.39Å; I448-C450 VanDerWaalsContact C-N 3.33Å; I448-C450 PolarHBondContact O-N 2.98Å; C450-M453 PolarHBondContact O-N 2.77Å; C450-C454 PolarHBondContact O-N 3.28Å; C450-C454 PolarHBondContact O-SG 3.04Å; C450-C454 VanDerWaalsContact O-SG 3.39Å
451I94.6Very high93.4Very high70 Ų7052.1 Ų52.136%0.35927%0.272SS..Hα-helixtrans-65.7-44-179.5-68.6170000111A414 M447 I448 M453 C454 L455A414-I451 HydrophobicContact CB-CG1 4Å; M447-I451 HydrophobicContact CG-CD1 3.93Å; M447-I451 WeakPolarHBondContact O-CG1 3.46Å; M447-I451 PolarHBondContact O-N 2.93Å; I448-I451 PolarHBondContact O-N 3.16Å; I451-M453 VanDerWaalsContact C-N 3.33Å; I451-M453 PolarHBondContact O-N 2.91Å; I451-C454 WeakPolarHBondContact O-CB 3.45Å; I451-C454 PolarHBondContact O-N 3.42Å; I451-L455 HydrophobicContact CG2-CD1 4.11Å; I451-L455 WeakPolarHBondContact O-CG 3.36Å; I451-L455 PolarHBondContact O-N 2.88Å; I451-L455 VanDerWaalsContact O-N 3.1Å
452I94.2Very high93.4Very high87 Ų8747.6 Ų47.645%0.44625%0.249SC..Hα-helixtrans-58.7-48.5175.6-69.8171.9000109.6I448 C454 L455 L456I448-I452 HydrophobicContact CG2-CD1 3.62Å; I448-I452 HydrophobicContact CG2-CG1 4.28Å; I448-I452 WeakPolarHBondContact O-CB 3.36Å; I448-I452 VanDerWaalsContact O-CG1 3.32Å; I448-I452 WeakPolarHBondContact O-CG1 3.24Å; I448-I452 PolarHBondContact O-N 3.01Å; I452-C454 PolarHBondContact O-N 3.21Å; I452-L455 PolarHBondContact O-N 2.72Å; I452-L456 HydrophobicContact CG2-CD1 3.74Å; I452-L456 HydrophobicContact CG2-CG 4.2Å; I452-L456 WeakPolarHBondContact O-CB 3.36Å; I452-L456 VanDerWaalsContact O-CG 3.28Å; I452-L456 WeakPolarHBondContact O-CG 3.25Å; I452-L456 PolarHBondContact O-N 3.3Å
453M92.1Very high93.4Very high19 Ų1949.7 Ų49.79%0.09426%0.262CS..Hα-helixtrans-65.9-38.1179.7-70-57.2163.600113.4L60 I64 F255 L410 G449 C450 I451 L455 L456 I457L60-M453 HydrophobicContact CD1-CE 4.03Å; L60-M453 HydrophobicContact CD2-CE 3.47Å; L60-M453 VanDerWaalsContact CD2-CE 3.47Å; L60-M453 HydrophobicContact CG-CE 3.88Å; I64-M453 HydrophobicContact CD1-CE 4.28Å; I64-M453 HydrophobicContact CD1-CG 3.52Å; F255-M453 HydrophobicContact CD1-SD 4.42Å; F255-M453 HydrophobicContact CE1-CB 4.32Å; F255-M453 HydrophobicContact CE1-CG 4.12Å; F255-M453 HydrophobicContact CE1-SD 3.8Å; F255-M453 HydrophobicContact CZ-CG 4.1Å; F255-M453 HydrophobicContact CZ-SD 3.87Å; L410-M453 HydrophobicContact CD1-CB 3.92Å; L410-M453 HydrophobicContact CD2-CB 4.41Å; G449-M453 WeakPolarHBondContact O-CB 3.5Å; G449-M453 WeakPolarHBondContact O-CG 3.32Å; G449-M453 PolarHBondContact O-N 3.38Å; C450-M453 PolarHBondContact O-N 2.77Å; I451-M453 VanDerWaalsContact C-N 3.33Å; I451-M453 PolarHBondContact O-N 2.91Å; M453-L455 VanDerWaalsContact C-N 3.33Å; M453-L455 PolarHBondContact O-N 2.87Å; M453-L456 HydrophobicContact CE-CD1 4.41Å; M453-L456 PolarHBondContact O-N 3.25Å; M453-L456 HydrophobicContact SD-CD1 3.98Å; M453-I457 WeakPolarHBondContact O-CB 3.21Å; M453-I457 WeakPolarHBondContact O-CG1 3.37Å; M453-I457 PolarHBondContact O-N 3.25Å
454C92.1Very high93.3Very high2 Ų253.6 Ų53.61%0.01429%0.286CS..Hα-helixtrans-53.8-51.9171.8-810000111.4L410 C450 I451 I452 L456 I457 Q458 T462L410-C454 WeakPolarHBondContact CB-SG 3.42Å; C450-C454 PolarHBondContact O-N 3.28Å; C450-C454 PolarHBondContact O-SG 3.04Å; C450-C454 VanDerWaalsContact O-SG 3.39Å; I451-C454 WeakPolarHBondContact O-CB 3.45Å; I451-C454 PolarHBondContact O-N 3.42Å; I452-C454 PolarHBondContact O-N 3.21Å; C454-L456 VanDerWaalsContact C-N 3.35Å; C454-L456 PolarHBondContact O-N 3.46Å; C454-I457 PolarHBondContact O-N 2.87Å; C454-Q458 PolarHBondContact O-N 2.98Å; C454-Q458 VanDerWaalsContact O-N 3.1Å; C454-T462 HydrophobicContact CB-CG2 3.65Å; C454-T462 WeakPolarHBondContact CB-OG1 3.34Å; C454-T462 PolarHBondContact O-OG1 2.92Å
455L92.3Very high93.2Very high82 Ų8251.8 Ų51.843%0.42928%0.277SS..Hα-helixtrans-66.5-36.5-177.6-68.4172.6000112.3I451 I452 M453 T462I451-L455 HydrophobicContact CG2-CD1 4.11Å; I451-L455 WeakPolarHBondContact O-CG 3.36Å; I451-L455 PolarHBondContact O-N 2.88Å; I451-L455 VanDerWaalsContact O-N 3.1Å; I452-L455 PolarHBondContact O-N 2.72Å; M453-L455 VanDerWaalsContact C-N 3.33Å; M453-L455 PolarHBondContact O-N 2.87Å; L455-T462 HydrophobicContact CD2-CG2 3.7Å; L455-T462 HydrophobicContact CG-CG2 4.2Å
456L90.6Very high93.1Very high92 Ų9251.9 Ų51.948%0.48228%0.277SS..Hα-helixtrans-68.1-42.9175.5-71.3177000111.9V252 I452 M453 C454V252-L456 WeakPolarHBondContact CG1-O 3.48Å; I452-L456 HydrophobicContact CG2-CD1 3.74Å; I452-L456 HydrophobicContact CG2-CG 4.2Å; I452-L456 WeakPolarHBondContact O-CB 3.36Å; I452-L456 VanDerWaalsContact O-CG 3.28Å; I452-L456 WeakPolarHBondContact O-CG 3.25Å; I452-L456 PolarHBondContact O-N 3.3Å; M453-L456 HydrophobicContact CE-CD1 4.41Å; M453-L456 PolarHBondContact O-N 3.25Å; M453-L456 HydrophobicContact SD-CD1 3.98Å; C454-L456 VanDerWaalsContact C-N 3.35Å; C454-L456 PolarHBondContact O-N 3.46Å
457I88.5Confident93Very high4 Ų456.4 Ų56.42%0.02130%0.301CS..Hα-helixtrans-62.4-61.1179.9-71.2173.1000110.5F255 S256 P403 V407 L410 M453 C454F255-I457 HydrophobicContact CD1-CD1 4.2Å; F255-I457 HydrophobicContact CD1-CG1 4.32Å; F255-I457 HydrophobicContact CE1-CD1 4.14Å; S256-I457 WeakPolarHBondContact OG-CG1 3.31Å; S256-I457 WeakPolarHBondContact OG-CG2 3.34Å; P403-I457 HydrophobicContact CB-CG2 4.33Å; V407-I457 HydrophobicContact CG2-CG2 4.14Å; L410-I457 HydrophobicContact CD1-CD1 3.56Å; M453-I457 WeakPolarHBondContact O-CB 3.21Å; M453-I457 WeakPolarHBondContact O-CG1 3.37Å; M453-I457 PolarHBondContact O-N 3.25Å; C454-I457 PolarHBondContact O-N 2.87Å
458Q88.4Confident93Very high73 Ų7357.9 Ų57.934%0.34131%0.312SS..  trans-154.2105.4-179.3-75.8-58.6-30.600110.4P403 V407 C454 I460 Y461 T462P403-Q458 HydrophobicContact CB-CG 3.8Å; V407-Q458 HydrophobicContact CG2-CB 4.32Å; C454-Q458 PolarHBondContact O-N 2.98Å; C454-Q458 VanDerWaalsContact O-N 3.1Å; Q458-I460 PolarHBondContact O-N 3.28Å; Q458-Y461 HydrophobicContact CB-CD2 3.54Å; Q458-Y461 HydrophobicContact CB-CE2 4.34Å; Q458-Y461 HydrophobicContact CB-CG 4.12Å; Q458-Y461 HydrophobicContact CG-CD2 3.62Å; Q458-Y461 HydrophobicContact CG-CE2 3.97Å; Q458-T462 WeakPolarHBondContact O-CB 3.32Å; Q458-T462 PolarHBondContact O-N 3.06Å; Q458-T462 VanDerWaalsContact O-N 3.09Å; Q458-T462 PolarHBondContact O-OG1 3.31Å
459P91.9Very high92.8Very high69 Ų6955.3 Ų55.345%0.44830%0.299SS..Hα-helixtrans-67.1-37.9-176.124.8-32.9000112.1T462 V463P459-T462 PolarHBondContact O-N 3.44Å; P459-V463 WeakPolarHBondContact O-CG2 3.49Å; P459-V463 PolarHBondContact O-N 2.98Å
460I92.3Very high92.7Very high121 Ų12156.5 Ų56.562%0.62131%0.311SS*.Hα-helixtrans-65.4-50.7-178.5-61.5169.6000110.6Q458 T462 V463 V464Q458-I460 PolarHBondContact O-N 3.28Å; I460-T462 VanDerWaalsContact C-N 3.26Å; I460-T462 PolarHBondContact O-N 3.07Å; I460-V463 PolarHBondContact O-N 3.46Å; I460-V464 WeakPolarHBondContact O-CG2 3.37Å; I460-V464 PolarHBondContact O-N 3.45Å
461Y90.8Very high92.7Very high85 Ų8561.7 Ų61.733%0.33334%0.338SS..Hα-helixtrans-62-36.3177.6-62.8-32.3000112P403 Q458 V464 A465P403-Y461 HydrophobicContact CB-CD2 4.33Å; P403-Y461 HydrophobicContact CB-CE2 4.25Å; Q458-Y461 HydrophobicContact CB-CD2 3.54Å; Q458-Y461 HydrophobicContact CB-CE2 4.34Å; Q458-Y461 HydrophobicContact CB-CG 4.12Å; Q458-Y461 HydrophobicContact CG-CD2 3.62Å; Q458-Y461 HydrophobicContact CG-CE2 3.97Å; Y461-V464 PolarHBondContact O-N 2.84Å; Y461-A465 VanDerWaalsContact O-CB 3.27Å; Y461-A465 WeakPolarHBondContact O-CB 3.5Å; Y461-A465 PolarHBondContact O-N 3.35Å
462T93.3Very high92.5Very high3 Ų360.1 Ų60.12%0.01833%0.33CS..Hα-helixtrans-63.2-48.5176.7-62.20000111.9C454 L455 Q458 P459 I460 V464 A465 I466C454-T462 HydrophobicContact CB-CG2 3.65Å; C454-T462 WeakPolarHBondContact CB-OG1 3.34Å; C454-T462 PolarHBondContact O-OG1 2.92Å; L455-T462 HydrophobicContact CD2-CG2 3.7Å; L455-T462 HydrophobicContact CG-CG2 4.2Å; Q458-T462 WeakPolarHBondContact O-CB 3.32Å; Q458-T462 PolarHBondContact O-N 3.06Å; Q458-T462 VanDerWaalsContact O-N 3.09Å; Q458-T462 PolarHBondContact O-OG1 3.31Å; P459-T462 PolarHBondContact O-N 3.44Å; I460-T462 VanDerWaalsContact C-N 3.26Å; I460-T462 PolarHBondContact O-N 3.07Å; T462-V464 VanDerWaalsContact C-N 3.34Å; T462-V464 PolarHBondContact O-N 3.34Å; T462-A465 PolarHBondContact O-N 3.09Å; T462-I466 HydrophobicContact CG2-CD1 3.89Å; T462-I466 HydrophobicContact CG2-CG1 4.5Å; T462-I466 WeakPolarHBondContact O-CG1 3.33Å; T462-I466 PolarHBondContact O-N 3.44Å
463V94.5Very high92.3Very high76 Ų7657.4 Ų57.446%0.46132%0.317SS..Hα-helixtrans-61.1-44.8177.7171.80000110.8P459 I460 A465 I466 I467P459-V463 WeakPolarHBondContact O-CG2 3.49Å; P459-V463 PolarHBondContact O-N 2.98Å; I460-V463 PolarHBondContact O-N 3.46Å; V463-A465 PolarHBondContact O-N 3.35Å; V463-I466 PolarHBondContact O-N 3.32Å; V463-I467 HydrophobicContact CG1-CD1 3.82Å; V463-I467 HydrophobicContact CG1-CG1 4.48Å; V463-I467 VanDerWaalsContact O-CG1 3.29Å; V463-I467 WeakPolarHBondContact O-CG1 3.38Å; V463-I467 PolarHBondContact O-N 3.42Å
464V94Very high92.2Very high83 Ų8362.1 Ų62.150%0.50334%0.338SS..Hα-helixtrans-59.8-46.1176.2172.90000111I460 Y461 T462 I466 I467 V468I460-V464 WeakPolarHBondContact O-CG2 3.37Å; I460-V464 PolarHBondContact O-N 3.45Å; Y461-V464 PolarHBondContact O-N 2.84Å; T462-V464 VanDerWaalsContact C-N 3.34Å; T462-V464 PolarHBondContact O-N 3.34Å; V464-I466 PolarHBondContact O-N 2.81Å; V464-I467 PolarHBondContact O-N 2.86Å; V464-V468 HydrophobicContact CG1-CG2 4.49Å; V464-V468 WeakPolarHBondContact O-CG2 3.44Å; V464-V468 PolarHBondContact O-N 3.21Å
465A93.2Very high92Very high9 Ų964.2 Ų64.27%0.07435%0.352CS..Hα-helixtrans-64.7-38.5179.900000112.6V407 L408 L411 Y461 T462 V463 V468 L469V407-A465 HydrophobicContact CG1-CB 4.21Å; L408-A465 HydrophobicContact CD2-CB 4.39Å; L411-A465 HydrophobicContact CD2-CB 3.58Å; Y461-A465 VanDerWaalsContact O-CB 3.27Å; Y461-A465 WeakPolarHBondContact O-CB 3.5Å; Y461-A465 PolarHBondContact O-N 3.35Å; T462-A465 PolarHBondContact O-N 3.09Å; V463-A465 PolarHBondContact O-N 3.35Å; A465-V468 PolarHBondContact O-N 3.12Å; A465-L469 WeakPolarHBondContact O-CB 3.36Å; A465-L469 PolarHBondContact O-N 3.39Å
466I93.9Very high91.6Very high81 Ų8160.3 Ų60.342%0.41533%0.332SS..Hα-helixtrans-65.3-42.9174.4-69.9171.1000111L411 T462 V463 V464 V468 L469 G470L411-I466 HydrophobicContact CD1-CG1 3.89Å; L411-I466 HydrophobicContact CD2-CG1 4.38Å; T462-I466 HydrophobicContact CG2-CD1 3.89Å; T462-I466 HydrophobicContact CG2-CG1 4.5Å; T462-I466 WeakPolarHBondContact O-CG1 3.33Å; T462-I466 PolarHBondContact O-N 3.44Å; V463-I466 PolarHBondContact O-N 3.32Å; V464-I466 PolarHBondContact O-N 2.81Å; I466-V468 VanDerWaalsContact C-N 3.34Å; I466-V468 PolarHBondContact O-N 3.26Å; I466-L469 PolarHBondContact O-N 2.97Å; I466-G470 PolarHBondContact O-N 3.02Å
467I95.3Very high91.3Very high95 Ų9562 Ų6249%0.48733%0.333SS..Hα-helixtrans-61.4-45.4176.1-69.5167.3000110.2V463 V464 L469 G470 L471V463-I467 HydrophobicContact CG1-CD1 3.82Å; V463-I467 HydrophobicContact CG1-CG1 4.48Å; V463-I467 VanDerWaalsContact O-CG1 3.29Å; V463-I467 WeakPolarHBondContact O-CG1 3.38Å; V463-I467 PolarHBondContact O-N 3.42Å; V464-I467 PolarHBondContact O-N 2.86Å; I467-L469 PolarHBondContact O-N 3.05Å; I467-G470 PolarHBondContact O-N 3.28Å; I467-L471 HydrophobicContact CG2-CD1 3.96Å; I467-L471 HydrophobicContact CG2-CG 4.32Å; I467-L471 WeakPolarHBondContact O-CB 3.44Å; I467-L471 VanDerWaalsContact O-CG 3.32Å; I467-L471 WeakPolarHBondContact O-CG 3.27Å; I467-L471 PolarHBondContact O-N 3.35Å
468V94.2Very high90.7Very high67 Ų6764.5 Ų64.541%0.40634%0.344SS..Hα-helixtrans-60.1-44.6176.4170.50000111.1V464 A465 I466 G470 L471 L472V464-V468 HydrophobicContact CG1-CG2 4.49Å; V464-V468 WeakPolarHBondContact O-CG2 3.44Å; V464-V468 PolarHBondContact O-N 3.21Å; A465-V468 PolarHBondContact O-N 3.12Å; I466-V468 VanDerWaalsContact C-N 3.34Å; I466-V468 PolarHBondContact O-N 3.26Å; V468-G470 PolarHBondContact O-N 2.8Å; V468-L471 PolarHBondContact O-N 3.46Å; V468-L472 HydrophobicContact CG1-CD1 4.08Å; V468-L472 WeakPolarHBondContact O-CB 3.44Å; V468-L472 WeakPolarHBondContact O-CG 3.48Å; V468-L472 PolarHBondContact O-N 2.86Å
469L93.4Very high90Very high26 Ų2664 Ų6414%0.13634%0.339CS..Hα-helixtrans-58.8-48.2174.9-178.658.4000111.6A101 I102 I105 L411 A465 I466 I467 L471 L472 V473A101-L469 HydrophobicContact CB-CD1 3.91Å; I102-L469 HydrophobicContact CG1-CD1 4.24Å; I105-L469 HydrophobicContact CD1-CB 3.48Å; I105-L469 VanDerWaalsContact CD1-CB 3.48Å; I105-L469 HydrophobicContact CD1-CD1 3.71Å; I105-L469 HydrophobicContact CD1-CG 4.07Å; L411-L469 HydrophobicContact CD1-CD2 4.47Å; L411-L469 HydrophobicContact CD2-CD2 4.45Å; L411-L469 HydrophobicContact CG-CD2 4.43Å; A465-L469 WeakPolarHBondContact O-CB 3.36Å; A465-L469 PolarHBondContact O-N 3.39Å; I466-L469 PolarHBondContact O-N 2.97Å; I467-L469 PolarHBondContact O-N 3.05Å; L469-L471 PolarHBondContact O-N 2.83Å; L469-L472 PolarHBondContact O-N 2.67Å; L469-V473 HydrophobicContact CD1-CG2 4.35Å; L469-V473 WeakPolarHBondContact O-CG2 3.46Å; L469-V473 PolarHBondContact O-N 3.19Å
470G92.9Very high88.7Confident42 Ų4265.6 Ų65.643%0.43334%0.34SS..Hα-helixtrans-62.1-41.8179.300000112.8I466 I467 V468 V473 F474I466-G470 PolarHBondContact O-N 3.02Å; I467-G470 PolarHBondContact O-N 3.28Å; V468-G470 PolarHBondContact O-N 2.8Å; G470-V473 PolarHBondContact O-N 3.16Å; G470-F474 VanDerWaalsContact O-CB 3.3Å; G470-F474 WeakPolarHBondContact O-CB 3.13Å; G470-F474 PolarHBondContact O-N 3.17Å
471L93.8Very high87.3Confident109 Ų10962 Ų6257%0.57132%0.322SS*.Hα-helixtrans-65.3-38.9175.2-72.1176000112.1I467 V468 L469 S475I467-L471 HydrophobicContact CG2-CD1 3.96Å; I467-L471 HydrophobicContact CG2-CG 4.32Å; I467-L471 WeakPolarHBondContact O-CB 3.44Å; I467-L471 VanDerWaalsContact O-CG 3.32Å; I467-L471 WeakPolarHBondContact O-CG 3.27Å; I467-L471 PolarHBondContact O-N 3.35Å; V468-L471 PolarHBondContact O-N 3.46Å; L469-L471 PolarHBondContact O-N 2.83Å; L471-S475 WeakPolarHBondContact O-CB 3.2Å; L471-S475 PolarHBondContact O-N 2.78Å
472L91.5Very high85.8Confident38 Ų3865.2 Ų65.220%0.19934%0.34CS..Hα-helixtrans-64.7-48.9174.9-75.1171.7000111.3A101 I105 F362 V468 L469 F474 S475 L476A101-L472 HydrophobicContact CB-CB 3.7Å; I105-L472 HydrophobicContact CG1-CD1 3.99Å; F362-L472 HydrophobicContact CE1-CD2 4.31Å; F362-L472 HydrophobicContact CZ-CD2 4.36Å; V468-L472 HydrophobicContact CG1-CD1 4.08Å; V468-L472 WeakPolarHBondContact O-CB 3.44Å; V468-L472 WeakPolarHBondContact O-CG 3.48Å; V468-L472 PolarHBondContact O-N 2.86Å; L469-L472 PolarHBondContact O-N 2.67Å; L472-F474 VanDerWaalsContact C-N 3.32Å; L472-F474 PolarHBondContact O-N 2.83Å; L472-S475 PolarHBondContact O-N 3.02Å; L472-L476 WeakPolarHBondContact O-CB 3.47Å; L472-L476 VanDerWaalsContact O-CG 3.27Å; L472-L476 WeakPolarHBondContact O-CG 3.46Å; L472-L476 PolarHBondContact O-N 2.9Å
473V90Very high84.2Confident29 Ų2966.6 Ų66.618%0.17635%0.35CS..Hα-helixtrans-57.8-46.4176.3172.70000110.5F98 A101 L469 G470 L476 Y477F98-V473 HydrophobicContact CD1-CG1 4.26Å; F98-V473 HydrophobicContact CD1-CG2 4.24Å; F98-V473 HydrophobicContact CE1-CG1 3.98Å; F98-V473 HydrophobicContact CZ-CG1 4.18Å; A101-V473 HydrophobicContact CB-CB 4.39Å; A101-V473 HydrophobicContact CB-CG2 3.46Å; A101-V473 VanDerWaalsContact CB-CG2 3.46Å; L469-V473 HydrophobicContact CD1-CG2 4.35Å; L469-V473 WeakPolarHBondContact O-CG2 3.46Å; L469-V473 PolarHBondContact O-N 3.19Å; G470-V473 PolarHBondContact O-N 3.16Å; V473-L476 PolarHBondContact O-N 2.77Å; V473-Y477 VanDerWaalsContact O-CB 3.3Å; V473-Y477 WeakPolarHBondContact O-CB 3.27Å; V473-Y477 PolarHBondContact O-N 2.89Å
474F89.4Confident82.4Confident119 Ų11968.6 Ų68.652%0.52237%0.368SS..Hα-helixtrans-63.2-45.1178.3-179-101.3000112.3G470 L472 L476 Y477 Q478G470-F474 VanDerWaalsContact O-CB 3.3Å; G470-F474 WeakPolarHBondContact O-CB 3.13Å; G470-F474 PolarHBondContact O-N 3.17Å; L472-F474 VanDerWaalsContact C-N 3.32Å; L472-F474 PolarHBondContact O-N 2.83Å; F474-L476 VanDerWaalsContact C-N 3.34Å; F474-L476 PolarHBondContact O-N 3.01Å; F474-Y477 PolarHBondContact O-N 3.09Å; F474-Q478 HydrophobicContact CD1-CG 4.36Å; F474-Q478 HydrophobicContact CE1-CG 4.03Å; F474-Q478 HydrophobicContact CE2-CG 4.43Å; F474-Q478 VanDerWaalsContact CE2-NE2 3.34Å; F474-Q478 HydrophobicContact CZ-CG 4.09Å; F474-Q478 VanDerWaalsContact O-CG 3.31Å; F474-Q478 WeakPolarHBondContact O-CG 3.32Å; F474-Q478 PolarHBondContact O-N 3.36Å
475S86.9Confident81.1Confident45 Ų4567 Ų6732%0.31535%0.352SS..Hα-helixtrans-60.7-43.3178.8-172.10000111.8L471 L472 Q478L471-S475 WeakPolarHBondContact O-CB 3.2Å; L471-S475 PolarHBondContact O-N 2.78Å; L472-S475 PolarHBondContact O-N 3.02Å; S475-Q478 PolarHBondContact O-N 2.95Å
476L85.4Confident80Confident1 Ų169.3 Ų69.31%0.00538%0.377CS..Hα-helixtrans-69.8-39.1177.6-66.5175.9000112.2E97 A101 L361 F362 L472 V473 F474 Q478 R479E97-L476 HydrophobicContact CB-CB 4.27Å; E97-L476 WeakPolarHBondContact O-CD1 3.32Å; A101-L476 HydrophobicContact CB-CD1 4.18Å; L361-L476 HydrophobicContact CD1-CD2 4.27Å; L361-L476 HydrophobicContact CD2-CD1 3.69Å; L361-L476 HydrophobicContact CD2-CD2 3.86Å; L361-L476 HydrophobicContact CD2-CG 4.43Å; L361-L476 HydrophobicContact CG-CD1 4.21Å; L361-L476 HydrophobicContact CG-CD2 3.62Å; F362-L476 HydrophobicContact CE1-CD2 4.29Å; L472-L476 WeakPolarHBondContact O-CB 3.47Å; L472-L476 VanDerWaalsContact O-CG 3.27Å; L472-L476 WeakPolarHBondContact O-CG 3.46Å; L472-L476 PolarHBondContact O-N 2.9Å; V473-L476 PolarHBondContact O-N 2.77Å; F474-L476 VanDerWaalsContact C-N 3.34Å; F474-L476 PolarHBondContact O-N 3.01Å; L476-Q478 VanDerWaalsContact C-N 3.28Å; L476-Q478 PolarHBondContact O-N 3.41Å; L476-R479 WeakPolarHBondContact O-CB 3.35Å; L476-R479 PolarHBondContact O-N 3.31Å; L476-R479 VanDerWaalsContact O-N 3.09Å
477Y83.2Confident79.3Confident128 Ų12867.5 Ų67.550%0.50237%0.369SS..Hα-helixtrans-59.2-38.7173.8-179.7-100.8000112.4V473 F474 R479 H480V473-Y477 VanDerWaalsContact O-CB 3.3Å; V473-Y477 WeakPolarHBondContact O-CB 3.27Å; V473-Y477 PolarHBondContact O-N 2.89Å; F474-Y477 PolarHBondContact O-N 3.09Å; Y477-R479 PolarHBondContact O-N 3.45Å; Y477-H480 PolarHBondContact O-N 3.43Å
478Q77.4Confident78.5Confident56 Ų5663.7 Ų63.726%0.26235%0.349SS..Hα-helixtrans-68.2-19.5178.1-67.4-65.8-1.300113.7F474 S475 L476 H480F474-Q478 HydrophobicContact CD1-CG 4.36Å; F474-Q478 HydrophobicContact CE1-CG 4.03Å; F474-Q478 HydrophobicContact CE2-CG 4.43Å; F474-Q478 VanDerWaalsContact CE2-NE2 3.34Å; F474-Q478 HydrophobicContact CZ-CG 4.09Å; F474-Q478 VanDerWaalsContact O-CG 3.31Å; F474-Q478 WeakPolarHBondContact O-CG 3.32Å; F474-Q478 PolarHBondContact O-N 3.36Å; S475-Q478 PolarHBondContact O-N 2.95Å; L476-Q478 VanDerWaalsContact C-N 3.28Å; L476-Q478 PolarHBondContact O-N 3.41Å; Q478-H480 VanDerWaalsContact C-N 3.29Å; Q478-H480 PolarHBondContact O-N 3.46Å
479R72.7Confident77.7Confident63 Ų6361.9 Ų61.924%0.23834%0.344CS..THydrogen-bonded Turntrans-76.1-10.4-178.3-74.6-174.8169.5-148.2-3.7114.4L361 F362 L476 Y477 L481L361-R479 PolarHBondContact O-NH1 3.45Å; F362-R479 VanDerWaalsContact CA-NH1 3.31Å; F362-R479 PolarHBondContact O-NH1 3.45Å; L476-R479 WeakPolarHBondContact O-CB 3.35Å; L476-R479 PolarHBondContact O-N 3.31Å; L476-R479 VanDerWaalsContact O-N 3.09Å; Y477-R479 PolarHBondContact O-N 3.45Å; R479-L481 VanDerWaalsContact C-N 3.33Å; R479-L481 HydrophobicContact CB-CD2 4.36Å; R479-L481 HydrophobicContact CB-CG 4.18Å; R479-L481 PolarHBondContact O-N 3.27Å
480H64.3Low77.2Confident101 Ų10166.5 Ų66.547%0.46837%0.365SS..  trans44.559.7-174.9-78.7-79000111.2Y477 Q478 E482 R749Y477-H480 PolarHBondContact O-N 3.43Å; Q478-H480 VanDerWaalsContact C-N 3.29Å; Q478-H480 PolarHBondContact O-N 3.46Å; H480-E482 PolarHBondContact O-N 3.41Å; H480-R749 VanDerWaalsContact NE2-CZ 3.31Å; H480-R749 PolarHBondContact NE2-NH2 2.92Å
481L63.8Low76.7Confident46 Ų4665.9 Ų65.924%0.24136%0.355CS..  trans-67.5106.2175.4-64.9169.7000107.6P96 L361 R479 S483P96-L481 HydrophobicContact CB-CB 4.43Å; P96-L481 HydrophobicContact CB-CD1 3.93Å; P96-L481 HydrophobicContact CG-CB 4.14Å; P96-L481 HydrophobicContact CG-CD1 4.39Å; L361-L481 HydrophobicContact CD1-CD1 3.49Å; L361-L481 VanDerWaalsContact CD1-CD1 3.49Å; L361-L481 HydrophobicContact CG-CD1 4.29Å; R479-L481 VanDerWaalsContact C-N 3.33Å; R479-L481 HydrophobicContact CB-CD2 4.36Å; R479-L481 HydrophobicContact CB-CG 4.18Å; R479-L481 PolarHBondContact O-N 3.27Å; L481-S483 PolarHBondContact O-N 2.94Å
482E57.8Low76.2Confident152 Ų15264.3 Ų64.371%0.7135%0.347SS*.  trans-71.773.7166.2-67.2177.8-157.100107.6H480 Y667H480-E482 PolarHBondContact O-N 3.41Å; E482-Y667 VanDerWaalsContact CD-OH 3.25Å; E482-Y667 PolarHBondContact OE1-OH 3.29Å
483S60.8Low75.9Confident33 Ų3366.4 Ų66.423%0.23136%0.358CS..  trans-76.3137.7175.561.30000110P96 L481 W485P96-S483 WeakPolarHBondContact CD-OG 3.3Å; P96-S483 WeakPolarHBondContact CG-OG 3.4Å; L481-S483 PolarHBondContact O-N 2.94Å; S483-W485 PolarHBondContact O-N 3.24Å; S483-W485 PolarHBondContact OG-O 2.84Å
484S56.2Low75.8Confident118 Ų11872.1 Ų72.183%0.82538%0.381SS*.SBendtrans-70.2-19.4177.3550000113.1
485W68Low75.6Confident49 Ų4970.2 Ų70.219%0.18637%0.373CS..SBendtrans-99.1127.3173.262.699.5000108.9S91 D359 S483S91-W485 VanDerWaalsContact O-CD1 3.22Å; S91-W485 PolarHBondContact O-NE1 3.39Å; D359-W485 HydrophobicContact CB-CH2 4.01Å; D359-W485 HydrophobicContact CB-CZ2 4.17Å; D359-W485 WeakPolarHBondContact OD1-CH2 3.46Å; S483-W485 PolarHBondContact O-N 3.24Å; S483-W485 PolarHBondContact OG-O 2.84Å
486G69.2Low75.7Confident58 Ų5871.4 Ų71.460%0.59837%0.374SS*.  trans-61.7172-166.700000115.9
487N79Confident76Confident43 Ų4375.8 Ų75.823%0.2340%0.396CS..  trans-110.6131-176.7-174.3-20.2000111L94 E97 G489 Q490L94-N487 PolarHBondContact O-OD1 3.5Å; E97-N487 PolarHBondContact OE1-ND2 3.26Å; E97-N487 PolarHBondContact OE2-ND2 3.24Å; N487-G489 PolarHBondContact O-N 3.48Å; N487-G489 PolarHBondContact OD1-N 3.29Å; N487-Q490 HydrophobicContact CB-CG 4.4Å; N487-Q490 PolarHBondContact O-N 2.88Å; N487-Q490 VanDerWaalsContact O-N 3.12Å
488I79.7Confident76.4Confident14 Ų1475.7 Ų75.77%0.07240%0.395CS..Hα-helixtrans-60.4-30.8176-164.360.3000112.4L94 L423 A426 P428 Q490 A491 L492L94-I488 HydrophobicContact CB-CG2 4.29Å; L94-I488 HydrophobicContact CD2-CB 4.47Å; L94-I488 HydrophobicContact CD2-CG2 4.01Å; L94-I488 WeakPolarHBondContact O-CG2 3.3Å; L94-I488 PolarHBondContact O-N 3.47Å; L423-I488 HydrophobicContact CD2-CD1 3.44Å; L423-I488 VanDerWaalsContact CD2-CD1 3.44Å; L423-I488 HydrophobicContact CD2-CG1 4.23Å; L423-I488 HydrophobicContact CG-CD1 4.21Å; A426-I488 HydrophobicContact CB-CD1 3.98Å; P428-I488 HydrophobicContact CG-CD1 4.16Å; I488-Q490 PolarHBondContact O-N 2.92Å; I488-A491 HydrophobicContact CD1-CB 4.4Å; I488-A491 WeakPolarHBondContact O-CB 3.21Å; I488-A491 PolarHBondContact O-N 3.41Å; I488-L492 PolarHBondContact O-N 3.28Å
489G77.3Confident77Confident29 Ų2978.4 Ų78.430%0.29941%0.406SS..Hα-helixtrans-59.4-33.3177.200000112.3N487 L493N487-G489 PolarHBondContact O-N 3.48Å; N487-G489 PolarHBondContact OD1-N 3.29Å; G489-L493 WeakPolarHBondContact O-CB 3.27Å; G489-L493 PolarHBondContact O-N 3.47Å
490Q82.7Confident77.9Confident123 Ų12382.4 Ų82.458%0.57542%0.422SS*.Hα-helixtrans-71-37.5174.7-68-62.9-25.200111.9N487 I488 L493 F494N487-Q490 HydrophobicContact CB-CG 4.4Å; N487-Q490 PolarHBondContact O-N 2.88Å; N487-Q490 VanDerWaalsContact O-N 3.12Å; I488-Q490 PolarHBondContact O-N 2.92Å; Q490-L493 PolarHBondContact O-N 2.8Å; Q490-F494 WeakPolarHBondContact O-CB 3.29Å; Q490-F494 PolarHBondContact O-N 3.5Å
491A82.2Confident79.2Confident29 Ų2979.3 Ų79.324%0.2441%0.409CS..Hα-helixtrans-65.5-47176.200000111.5A426 P428 I488 F494 H495A426-A491 HydrophobicContact CB-CB 4.42Å; P428-A491 HydrophobicContact CB-CB 4.45Å; I488-A491 HydrophobicContact CD1-CB 4.4Å; I488-A491 WeakPolarHBondContact O-CB 3.21Å; I488-A491 PolarHBondContact O-N 3.41Å; A491-F494 PolarHBondContact O-N 2.93Å; A491-H495 PolarHBondContact O-N 3.26Å
492L82.7Confident80.4Confident76 Ų7683.3 Ų83.340%0.39843%0.43SS..Hα-helixtrans-61.2-44.4174.4-73.7171.3000111.7A426 I488 F494 H495 Q496A426-L492 HydrophobicContact CB-CD2 3.59Å; A426-L492 HydrophobicContact CB-CG 3.91Å; I488-L492 PolarHBondContact O-N 3.28Å; L492-F494 PolarHBondContact O-N 3.21Å; L492-H495 PolarHBondContact O-N 2.96Å; L492-Q496 WeakPolarHBondContact O-CB 3.22Å; L492-Q496 PolarHBondContact O-N 3.03Å
493L86.3Confident82Confident83 Ų8382 Ų8244%0.43543%0.427SS..Hα-helixtrans-61-44.8177.7-178.864.3000111.3G489 Q490 Q496 I497G489-L493 WeakPolarHBondContact O-CB 3.27Å; G489-L493 PolarHBondContact O-N 3.47Å; Q490-L493 PolarHBondContact O-N 2.8Å; L493-Q496 PolarHBondContact O-N 3.15Å; L493-I497 HydrophobicContact CD1-CD1 3.88Å; L493-I497 HydrophobicContact CD1-CG1 4.12Å; L493-I497 HydrophobicContact CD2-CD1 4.33Å; L493-I497 HydrophobicContact CG-CD1 3.69Å; L493-I497 HydrophobicContact CG-CG1 4.32Å; L493-I497 WeakPolarHBondContact O-CB 3.11Å; L493-I497 VanDerWaalsContact O-CG1 3.25Å; L493-I497 WeakPolarHBondContact O-CG1 3.32Å; L493-I497 PolarHBondContact O-N 3.42Å
494F86.6Confident83.3Confident148 Ų14884.8 Ų84.865%0.64944%0.439SS*.Hα-helixtrans-60.4-48.5177.3-179.9-92.9000111.7Q490 A491 L492 Q496 I497 R498Q490-F494 WeakPolarHBondContact O-CB 3.29Å; Q490-F494 PolarHBondContact O-N 3.5Å; A491-F494 PolarHBondContact O-N 2.93Å; L492-F494 PolarHBondContact O-N 3.21Å; F494-Q496 VanDerWaalsContact C-N 3.27Å; F494-Q496 PolarHBondContact O-N 3.14Å; F494-I497 PolarHBondContact O-N 2.91Å; F494-R498 WeakPolarHBondContact O-CB 3.44Å; F494-R498 PolarHBondContact O-N 2.89Å
495H84.9Confident84.5Confident79 Ų7981.5 Ų81.537%0.36641%0.412SS..Hα-helixtrans-56.9-44.7177-177.396.9000111.3A491 L492 R498 K499A491-H495 PolarHBondContact O-N 3.26Å; L492-H495 PolarHBondContact O-N 2.96Å; H495-R498 PolarHBondContact O-N 3.34Å; H495-K499 PolarHBondContact O-N 3.08Å; H495-K499 VanDerWaalsContact O-N 3.14Å
496Q90.1Very high85Confident71 Ų7181.6 Ų81.633%0.33242%0.423SS..Hα-helixtrans-69.6-42.9-178.2-170.757.467.700112.7L492 L493 F494 R498 K499 Y500L492-Q496 WeakPolarHBondContact O-CB 3.22Å; L492-Q496 PolarHBondContact O-N 3.03Å; L493-Q496 PolarHBondContact O-N 3.15Å; F494-Q496 VanDerWaalsContact C-N 3.27Å; F494-Q496 PolarHBondContact O-N 3.14Å; Q496-R498 VanDerWaalsContact C-N 3.32Å; Q496-R498 PolarHBondContact O-N 3.27Å; Q496-K499 PolarHBondContact O-N 3.29Å; Q496-Y500 HydrophobicContact CG-CD2 3.7Å; Q496-Y500 HydrophobicContact CG-CE2 3.34Å; Q496-Y500 VanDerWaalsContact O-CD2 3.26Å; Q496-Y500 WeakPolarHBondContact O-CD2 3.25Å; Q496-Y500 PolarHBondContact O-N 2.9Å
497I91.9Very high85.5Confident92 Ų9288.8 Ų88.847%0.47243%0.433SS..Hα-helixtrans-59.7-45.1175.5-72.3170.6000110L493 F494 K499 Y500 L501L493-I497 HydrophobicContact CD1-CD1 3.88Å; L493-I497 HydrophobicContact CD1-CG1 4.12Å; L493-I497 HydrophobicContact CD2-CD1 4.33Å; L493-I497 HydrophobicContact CG-CD1 3.69Å; L493-I497 HydrophobicContact CG-CG1 4.32Å; L493-I497 WeakPolarHBondContact O-CB 3.11Å; L493-I497 VanDerWaalsContact O-CG1 3.25Å; L493-I497 WeakPolarHBondContact O-CG1 3.32Å; L493-I497 PolarHBondContact O-N 3.42Å; F494-I497 PolarHBondContact O-N 2.91Å; I497-K499 PolarHBondContact O-N 3.45Å; I497-Y500 PolarHBondContact O-N 2.88Å; I497-L501 WeakPolarHBondContact O-CB 3.36Å; I497-L501 PolarHBondContact O-N 3.29Å
498R90.7Very high85.5Confident127 Ų12794 Ų9448%0.47945%0.453SS..Hα-helixtrans-57.9-47.8177.4-173.3-169.270.498.90.4111.7F494 H495 Q496 Y500 L501 L502F494-R498 WeakPolarHBondContact O-CB 3.44Å; F494-R498 PolarHBondContact O-N 2.89Å; H495-R498 PolarHBondContact O-N 3.34Å; Q496-R498 VanDerWaalsContact C-N 3.32Å; Q496-R498 PolarHBondContact O-N 3.27Å; R498-Y500 PolarHBondContact O-N 3.49Å; R498-L501 PolarHBondContact O-N 3.11Å; R498-L502 HydrophobicContact CG-CD1 4.42Å; R498-L502 WeakPolarHBondContact O-CG 3.42Å; R498-L502 PolarHBondContact O-N 3.42Å; R498-L502 VanDerWaalsContact O-N 3.08Å
499K90.9Very high85.3Confident113 Ų113100.1 Ų100.149%0.49149%0.486SS..Hα-helixtrans-61.2-44.8178.5-173176.4-178.5177.90111.5H495 Q496 I497 L502 L503H495-K499 PolarHBondContact O-N 3.08Å; H495-K499 VanDerWaalsContact O-N 3.14Å; Q496-K499 PolarHBondContact O-N 3.29Å; I497-K499 PolarHBondContact O-N 3.45Å; K499-L502 PolarHBondContact O-N 3.37Å; K499-L503 HydrophobicContact CG-CD1 4.33Å; K499-L503 VanDerWaalsContact O-CG 3.3Å; K499-L503 WeakPolarHBondContact O-CG 3.46Å; K499-L503 PolarHBondContact O-N 3.37Å; K499-L503 VanDerWaalsContact O-N 3.16Å
500Y91.5Very high85.5Confident147 Ų147103.9 Ų103.958%0.57650%0.496SS*.Hα-helixtrans-68.6-35178.6-73-47.6000113.3Q496 I497 R498 L503 L504Q496-Y500 HydrophobicContact CG-CD2 3.7Å; Q496-Y500 HydrophobicContact CG-CE2 3.34Å; Q496-Y500 VanDerWaalsContact O-CD2 3.26Å; Q496-Y500 WeakPolarHBondContact O-CD2 3.25Å; Q496-Y500 PolarHBondContact O-N 2.9Å; I497-Y500 PolarHBondContact O-N 2.88Å; R498-Y500 PolarHBondContact O-N 3.49Å; Y500-L503 HydrophobicContact CD1-CD1 4.22Å; Y500-L503 PolarHBondContact O-N 2.77Å; Y500-L504 PolarHBondContact O-N 3.35Å; Y500-L504 VanDerWaalsContact O-N 3.17Å
501L91Very high85.6Confident35 Ų3599.7 Ų99.718%0.18348%0.478CS..Hα-helixtrans-68.3-36.3177.3-168.565.5000111.9I497 R498 L503 L504 L605 M608I497-L501 WeakPolarHBondContact O-CB 3.36Å; I497-L501 PolarHBondContact O-N 3.29Å; R498-L501 PolarHBondContact O-N 3.11Å; L501-L503 VanDerWaalsContact C-N 3.31Å; L501-L504 PolarHBondContact O-N 2.97Å; L501-L605 HydrophobicContact CD2-CB 4.16Å; L501-L605 HydrophobicContact CD2-CD2 3.45Å; L501-L605 VanDerWaalsContact CD2-CD2 3.45Å; L501-L605 HydrophobicContact CD2-CG 3.62Å; L501-M608 HydrophobicContact CD1-CB 4.21Å; L501-M608 HydrophobicContact CD1-CG 3.79Å; L501-M608 HydrophobicContact CD1-SD 3.82Å
502L89.9Confident85.5Confident131 Ų131104.9 Ų104.969%0.68650%0.495SS*.Hα-helixtrans-68.2-29.9172.7-71.5170.9000113R498 K499 L504R498-L502 HydrophobicContact CG-CD1 4.42Å; R498-L502 WeakPolarHBondContact O-CG 3.42Å; R498-L502 PolarHBondContact O-N 3.42Å; R498-L502 VanDerWaalsContact O-N 3.08Å; K499-L502 PolarHBondContact O-N 3.37Å; L502-L504 VanDerWaalsContact C-N 3.3Å
503L90.7Very high85.6Confident123 Ų123108.7 Ų108.764%0.64451%0.505SS*.Hα-helixtrans-76.6-17.7175.8-71.8169.9000112.9K499 Y500 L501 D505K499-L503 HydrophobicContact CG-CD1 4.33Å; K499-L503 VanDerWaalsContact O-CG 3.3Å; K499-L503 WeakPolarHBondContact O-CG 3.46Å; K499-L503 PolarHBondContact O-N 3.37Å; K499-L503 VanDerWaalsContact O-N 3.16Å; Y500-L503 HydrophobicContact CD1-CD1 4.22Å; Y500-L503 PolarHBondContact O-N 2.77Å; L501-L503 VanDerWaalsContact C-N 3.31Å; L503-D505 PolarHBondContact O-N 2.98Å
504L88.6Confident85.6Confident92 Ų92107 Ų10748%0.48249%0.493SS..  trans-80.498.5177.8-169.366.9000109.7Y500 L501 L502 A607 M608Y500-L504 PolarHBondContact O-N 3.35Å; Y500-L504 VanDerWaalsContact O-N 3.17Å; L501-L504 PolarHBondContact O-N 2.97Å; L502-L504 VanDerWaalsContact C-N 3.3Å; L504-A607 HydrophobicContact CB-CB 4.3Å; L504-A607 HydrophobicContact CD2-CB 3.83Å; L504-A607 HydrophobicContact CG-CB 3.75Å; L504-A607 WeakPolarHBondContact O-CB 3.32Å; L504-M608 HydrophobicContact CD2-CG 3.92Å
505D81.7Confident85.8Confident49 Ų49107.9 Ų107.926%0.26249%0.492SS..  trans-85.8116.8-177.3-167.6-10000111.7L503 R507 K508L503-D505 PolarHBondContact O-N 2.98Å; D505-R507 PolarHBondContact O-N 3.31Å; D505-R507 WeakPolarHBondContact OD1-CB 3.5Å; D505-R507 IonicContact OD1-CZ 2.66Å; D505-R507 PolarHBondContact OD1-N 3.48Å; D505-R507 IonicContact OD1-NE 3.14Å; D505-R507 PolarHBondContact OD1-NE 2.84Å; D505-R507 IonicContact OD1-NH2 2.74Å; D505-R507 IonicContact OD2-CZ 3.17Å; D505-R507 IonicContact OD2-NE 3.12Å; D505-R507 PolarHBondContact OD2-NE 3.14Å; D505-R507 IonicContact OD2-NH2 2.75Å; D505-R507 PolarHBondContact OD2-NH2 3.44Å; D505-K508 HydrophobicContact CB-CD 4.29Å; D505-K508 HydrophobicContact CB-CG 4.26Å; D505-K508 PolarHBondContact O-N 3.48Å
506A78.2Confident86.2Confident51 Ų51104.2 Ų104.242%0.42148%0.476SS..G310 helixtrans-66.3-20.4176.300000113.2K508 A607A506-K508 PolarHBondContact O-N 3.47Å; A506-A607 HydrophobicContact CB-CB 3.98Å
507R79.8Confident86.3Confident210 Ų210102.8 Ų102.879%0.79247%0.469SS*.G310 helixtrans-74.7-14.6179-60.4170.5-63.4174.96.4112.9D505 D509D505-R507 PolarHBondContact O-N 3.31Å; D505-R507 WeakPolarHBondContact OD1-CB 3.5Å; D505-R507 IonicContact OD1-CZ 2.66Å; D505-R507 PolarHBondContact OD1-N 3.48Å; D505-R507 IonicContact OD1-NE 3.14Å; D505-R507 PolarHBondContact OD1-NE 2.84Å; D505-R507 IonicContact OD1-NH2 2.74Å; D505-R507 IonicContact OD2-CZ 3.17Å; D505-R507 IonicContact OD2-NE 3.12Å; D505-R507 PolarHBondContact OD2-NE 3.14Å; D505-R507 IonicContact OD2-NH2 2.75Å; D505-R507 PolarHBondContact OD2-NH2 3.44Å; R507-D509 VanDerWaalsContact C-N 3.26Å; R507-D509 PolarHBondContact O-N 3.35Å
508K78.5Confident86.5Confident153 Ų15398.4 Ų98.467%0.66545%0.446SS*.G310 helixtrans-9633.4179.3-62.3-176.6-177.4178.30111.6D505 A506 H510D505-K508 HydrophobicContact CB-CD 4.29Å; D505-K508 HydrophobicContact CB-CG 4.26Å; D505-K508 PolarHBondContact O-N 3.48Å; A506-K508 PolarHBondContact O-N 3.47Å; K508-H510 PolarHBondContact O-N 3.44Å
509D74.4Confident86.9Confident142 Ų14292.3 Ų92.376%0.75942%0.423SS*.  trans-65.6123.6176.6-77.9-16.5000109.9R507R507-D509 VanDerWaalsContact C-N 3.26Å; R507-D509 PolarHBondContact O-N 3.35Å
510H83.1Confident87.2Confident108 Ų10887 Ų8750%0.540%0.4SS..  trans-142.9142.7-180-175.2-79.3000108.6K508 K512 Y513 W514K508-H510 PolarHBondContact O-N 3.44Å; H510-K512 WeakPolarHBondContact ND1-CB 3.25Å; H510-K512 PolarHBondContact ND1-N 2.92Å; H510-K512 PolarHBondContact O-N 3.5Å; H510-K512 VanDerWaalsContact O-N 3.1Å; H510-Y513 HydrophobicContact CB-CD2 3.71Å; H510-Y513 HydrophobicContact CB-CE2 3.94Å; H510-Y513 PolarHBondContact O-N 2.83Å; H510-W514 PolarHBondContact O-N 3.02Å
511V83.4Confident87.4Confident35 Ų3580.8 Ų80.821%0.21238%0.377CS..G310 helixtrans-53.2-37.9-176.6-177.50000112.1Y513 W514 E992V511-Y513 PolarHBondContact O-N 2.96Å; V511-W514 VanDerWaalsContact O-CB 3.28Å; V511-W514 WeakPolarHBondContact O-CB 3.27Å; V511-W514 PolarHBondContact O-N 2.87Å; V511-W514 VanDerWaalsContact O-N 3.09Å; V511-E992 HydrophobicContact CG2-CB 3.94Å
512K81.4Confident87.5Confident137 Ų13779.5 Ų79.560%0.59637%0.37SS*.G310 helixtrans-54.1-32.5173.3-171.7176-178.7176.40114.8H510H510-K512 WeakPolarHBondContact ND1-CB 3.25Å; H510-K512 PolarHBondContact ND1-N 2.92Å; H510-K512 PolarHBondContact O-N 3.5Å; H510-K512 VanDerWaalsContact O-N 3.1Å
513Y83.5Confident87.4Confident156 Ų15677.5 Ų77.561%0.61237%0.373SS*.G310 helixtrans-97.9-3.6-178.6-51.1-51.2000112.8H510 V511 R515H510-Y513 HydrophobicContact CB-CD2 3.71Å; H510-Y513 HydrophobicContact CB-CE2 3.94Å; H510-Y513 PolarHBondContact O-N 2.83Å; V511-Y513 PolarHBondContact O-N 2.96Å; Y513-R515 PolarHBondContact O-N 3.12Å
514W87.5Confident87.2Confident48 Ų4874.2 Ų74.218%0.18236%0.356CS..  trans-56.9129.7-179.2-175.591.2000110.8H510 V511 L516 N611 F839 Q842 L846 V993H510-W514 PolarHBondContact O-N 3.02Å; V511-W514 VanDerWaalsContact O-CB 3.28Å; V511-W514 WeakPolarHBondContact O-CB 3.27Å; V511-W514 PolarHBondContact O-N 2.87Å; V511-W514 VanDerWaalsContact O-N 3.09Å; W514-L516 HydrophobicContact CH2-CB 4.07Å; W514-L516 HydrophobicContact CH2-CD1 4.15Å; W514-L516 HydrophobicContact CZ2-CD1 4.23Å; W514-N611 PolarHBondContact NE1-ND2 2.8Å; W514-F839 HydrophobicContact CH2-CD2 4.44Å; W514-F839 HydrophobicContact CH2-CE2 4.03Å; W514-F839 HydrophobicContact CZ2-CD2 4.47Å; W514-F839 AromaticContact CZ2-CE2 3.97Å; W514-F839 HydrophobicContact CZ2-CE2 3.97Å; W514-Q842 HydrophobicContact CZ3-CG 4.06Å; W514-L846 HydrophobicContact CH2-CD1 4.38Å; W514-L846 HydrophobicContact CZ3-CD1 4.01Å; W514-V993 HydrophobicContact CD2-CB 3.96Å; W514-V993 HydrophobicContact CD2-CG1 3.81Å; W514-V993 VanDerWaalsContact CE2-CG1 3.41Å; W514-V993 HydrophobicContact CE3-CB 3.98Å; W514-V993 HydrophobicContact CE3-CG1 4.22Å; W514-V993 HydrophobicContact CG-CG1 4.38Å; W514-V993 HydrophobicContact CH2-CB 4.26Å; W514-V993 HydrophobicContact CH2-CG1 3.96Å; W514-V993 HydrophobicContact CZ2-CB 4.26Å; W514-V993 HydrophobicContact CZ2-CG1 3.52Å; W514-V993 HydrophobicContact CZ3-CB 4.11Å; W514-V993 HydrophobicContact CZ3-CG1 4.28Å
515R90.4Very high87.2Confident166 Ų16670.3 Ų70.363%0.62634%0.337SS*.  trans-133148.5173.2-67.5-176.7-177.9166.74108.2Y513 Q517 N611Y513-R515 PolarHBondContact O-N 3.12Å; R515-Q517 PolarHBondContact O-N 3.05Å; R515-N611 PolarHBondContact O-ND2 2.79Å
516L93.1Very high87.4Confident3 Ų369.5 Ų69.52%0.01633%0.33CS..  trans-69.2114.8175-175.165000110W514 L518 L538 G542 L543 T612 L843 L846W514-L516 HydrophobicContact CH2-CB 4.07Å; W514-L516 HydrophobicContact CH2-CD1 4.15Å; W514-L516 HydrophobicContact CZ2-CD1 4.23Å; L516-L518 HydrophobicContact CG-CB 4.39Å; L516-L538 HydrophobicContact CD2-CD1 4.36Å; L516-L538 HydrophobicContact CD2-CD2 4.09Å; L516-L538 HydrophobicContact CD2-CG 3.61Å; L516-G542 VanDerWaalsContact O-CA 3.26Å; L516-G542 WeakPolarHBondContact O-CA 3.3Å; L516-L543 PolarHBondContact O-N 3.25Å; L516-T612 HydrophobicContact CD1-CG2 4.05Å; L516-T612 WeakPolarHBondContact CD1-OG1 3.45Å; L516-L843 HydrophobicContact CD1-CD2 4.07Å; L516-L843 HydrophobicContact CD2-CD2 3.91Å; L516-L846 HydrophobicContact CB-CD1 4.33Å
517Q93.3Very high87.8Confident40 Ų4068.7 Ų68.719%0.18732%0.321CS..EExtended strand (participates in β ladder)trans-109.696.2175-56.9-168.357.100107R515 L543 R609 P610 N611 T612R515-Q517 PolarHBondContact O-N 3.05Å; Q517-L543 CarbonylContact C-O 3.3Å; Q517-L543 WeakPolarHBondContact CA-O 3.48Å; Q517-L543 HydrophobicContact CB-CB 3.84Å; Q517-L543 HydrophobicContact CB-CD2 4.48Å; Q517-L543 HydrophobicContact CG-CB 3.94Å; Q517-R609 WeakPolarHBondContact CB-O 3.19Å; Q517-R609 PolarHBondContact OE1-O 2.83Å; Q517-P610 CarbonylContact O-C 3.08Å; Q517-P610 WeakPolarHBondContact O-CA 3.23Å; Q517-N611 WeakPolarHBondContact CA-OD1 3.18Å; Q517-N611 HydrophobicContact CB-CB 4.48Å; Q517-N611 PolarHBondContact N-OD1 2.79Å; Q517-N611 PolarHBondContact O-N 3.42Å; Q517-N611 PolarHBondContact O-OD1 3.35Å; Q517-N611 VanDerWaalsContact O-OD1 3.08Å; Q517-T612 PolarHBondContact O-N 3.11Å
518L95.8Very high88.2Confident0 Ų059.3 Ų59.30%029%0.287CS..EExtended strand (participates in β ladder)trans-98.6130.1-166.7178.769.7000111.6L516 M535 L543 Y544 V545 T612 C614L516-L518 HydrophobicContact CG-CB 4.39Å; L518-M535 HydrophobicContact CD1-CE 3.6Å; L518-M535 HydrophobicContact CD2-CB 3.68Å; L518-M535 HydrophobicContact CD2-CE 3.38Å; L518-M535 HydrophobicContact CD2-CG 4.16Å; L518-M535 HydrophobicContact CD2-SD 4.43Å; L518-M535 HydrophobicContact CG-CE 4.12Å; L518-L543 PolarHBondContact N-O 3.29Å; L518-Y544 HydrophobicContact CB-CD2 4.15Å; L518-Y544 HydrophobicContact CD2-CD2 3.67Å; L518-Y544 HydrophobicContact CD2-CE2 3.65Å; L518-Y544 HydrophobicContact CG-CD2 4.02Å; L518-Y544 HydrophobicContact CG-CE2 4.26Å; L518-Y544 CarbonylContact O-C 3.58Å; L518-Y544 WeakPolarHBondContact O-CA 3.46Å; L518-V545 PolarHBondContact O-N 3.46Å; L518-T612 CarbonylContact C-O 3.59Å; L518-T612 WeakPolarHBondContact CA-O 3.47Å; L518-T612 HydrophobicContact CD1-CG2 4.06Å; L518-C614 HydrophobicContact CD1-CB 3.79Å
519L97.3Very high88.8Confident0 Ų052 Ų520%026%0.256CS..EExtended strand (participates in β ladder)trans-106.7113.2161.8168.760.4000109L521 V545 L599 I600 P610 T612 V613 C614L519-L521 HydrophobicContact CD1-CD2 4.41Å; L519-L521 HydrophobicContact CD2-CD2 4.39Å; L519-L521 HydrophobicContact CG-CD2 4.36Å; L519-L521 HydrophobicContact CG-CG 4.46Å; L519-V545 CarbonylContact C-O 3.59Å; L519-V545 WeakPolarHBondContact CA-O 3.33Å; L519-V545 HydrophobicContact CD1-CB 4.03Å; L519-V545 HydrophobicContact CD1-CG1 3.96Å; L519-L599 HydrophobicContact CD1-CD2 3.27Å; L519-L599 HydrophobicContact CD2-CD2 3.65Å; L519-L599 HydrophobicContact CG-CD2 3.99Å; L519-I600 HydrophobicContact CD2-CG1 4.11Å; L519-P610 HydrophobicContact CB-CB 3.64Å; L519-P610 HydrophobicContact CB-CG 3.83Å; L519-T612 PolarHBondContact N-O 2.82Å; L519-V613 HydrophobicContact CD2-CG1 4.39Å; L519-V613 HydrophobicContact CD2-CG2 4.3Å; L519-V613 CarbonylContact O-C 3.56Å; L519-V613 WeakPolarHBondContact O-CA 3.44Å; L519-C614 PolarHBondContact O-N 2.84Å
520L97.2Very high89.5Confident0 Ų045.2 Ų45.20%022%0.219CC..EExtended strand (participates in β ladder)trans-98.9117.8174.1175.567.4000109.6V522 L531 V532 M535 Y544 V545 G547 C614L520-V522 HydrophobicContact CD2-CG2 3.76Å; L520-V522 HydrophobicContact CG-CG2 3.68Å; L520-L531 HydrophobicContact CD1-CD2 3.95Å; L520-L531 HydrophobicContact CD1-CG 4.2Å; L520-L531 HydrophobicContact CD2-CG 4.35Å; L520-V532 HydrophobicContact CD2-CB 4.46Å; L520-V532 HydrophobicContact CD2-CG2 3.73Å; L520-M535 HydrophobicContact CD1-CG 4.28Å; L520-M535 HydrophobicContact CD2-CB 4.37Å; L520-M535 HydrophobicContact CD2-CG 4.12Å; L520-Y544 HydrophobicContact CB-CE2 3.73Å; L520-Y544 HydrophobicContact CD2-CE2 4.29Å; L520-Y544 VanDerWaalsContact CD2-OH 3.24Å; L520-Y544 WeakPolarHBondContact CD2-OH 3.31Å; L520-V545 PolarHBondContact N-O 3.32Å; L520-G547 PolarHBondContact O-N 3.16Å; L520-C614 HydrophobicContact CD1-CB 3.78Å
521L96.1Very high90Very high17 Ų1740.7 Ų40.79%0.08920%0.199CC..EExtended strand (participates in β ladder)trans-87.8119175.7-65.2170.1000109.5L519 G547 I596 L599 I600 V613 C614 L615L519-L521 HydrophobicContact CD1-CD2 4.41Å; L519-L521 HydrophobicContact CD2-CD2 4.39Å; L519-L521 HydrophobicContact CG-CD2 4.36Å; L519-L521 HydrophobicContact CG-CG 4.46Å; L521-G547 WeakPolarHBondContact CA-O 3.25Å; L521-I596 HydrophobicContact CD1-CG2 3.62Å; L521-I596 HydrophobicContact CD2-CG2 4.49Å; L521-L599 HydrophobicContact CD2-CD2 3.61Å; L521-I600 HydrophobicContact CD1-CD1 4.41Å; L521-I600 HydrophobicContact CD1-CG1 4.39Å; L521-V613 HydrophobicContact CD1-CG1 3.71Å; L521-V613 HydrophobicContact CG-CG1 4.26Å; L521-C614 PolarHBondContact N-O 2.74Å; L521-L615 HydrophobicContact CB-CD2 4.06Å; L521-L615 HydrophobicContact CD1-CD2 3.34Å; L521-L615 HydrophobicContact CD1-CG 4.22Å; L521-L615 HydrophobicContact CG-CD2 4.29Å
522V92.8Very high90.5Very high8 Ų839 Ų395%0.04819%0.189CC..  trans-120.4119.5-175-176.90000110.3L520 N524 S528 V532 V546 G547 H548 W571L520-V522 HydrophobicContact CD2-CG2 3.76Å; L520-V522 HydrophobicContact CG-CG2 3.68Å; V522-N524 WeakPolarHBondContact CG1-O 3.48Å; V522-S528 WeakPolarHBondContact CG1-OG 3.34Å; V522-V532 HydrophobicContact CG2-CG2 4.2Å; V522-V546 HydrophobicContact CB-CG1 4.45Å; V522-V546 HydrophobicContact CG2-CG1 3.87Å; V522-G547 PolarHBondContact N-O 3.25Å; V522-H548 PolarHBondContact O-ND1 3.16Å; V522-W571 HydrophobicContact CB-CH2 3.79Å; V522-W571 HydrophobicContact CB-CZ3 4.19Å; V522-W571 HydrophobicContact CG1-CH2 3.59Å; V522-W571 HydrophobicContact CG1-CZ3 4.14Å
523A88.1Confident90.9Very high90 Ų9032.9 Ų32.974%0.74416%0.162SC*.SBendtrans-76.5-52.9172.600000111.7H548A523-H548 PolarHBondContact O-CE1 2.86Å; A523-H548 PolarHBondContact O-ND1 2.88Å
524N87.5Confident91.3Very high53 Ų5325.5 Ų25.528%0.28313%0.133SC..  trans-122.3120.8179.6-175.6-16.2000110.7V522 R526 S528V522-N524 WeakPolarHBondContact CG1-O 3.48Å; N524-R526 VanDerWaalsContact C-N 3.28Å; N524-R526 PolarHBondContact O-N 2.85Å; N524-R526 WeakPolarHBondContact OD1-CB 3.42Å; N524-R526 PolarHBondContact OD1-N 3.26Å; N524-S528 WeakPolarHBondContact O-CB 3.43Å; N524-S528 PolarHBondContact O-N 2.91Å; N524-S528 PolarHBondContact O-OG 2.76Å
525P87.4Confident91.7Very high11 Ų1123.2 Ų23.27%0.07112%0.124CC..THydrogen-bonded Turntrans-65.1-28.8178.723.4-31000113.2S528 A529 W571 Y574 F677P525-S528 WeakPolarHBondContact CA-OG 3.14Å; P525-S528 PolarHBondContact O-OG 3.05Å; P525-A529 PolarHBondContact O-N 3.26Å; P525-W571 HydrophobicContact CB-CE3 4.46Å; P525-W571 HydrophobicContact CB-CH2 3.61Å; P525-W571 HydrophobicContact CB-CZ2 4.01Å; P525-W571 HydrophobicContact CB-CZ3 3.86Å; P525-W571 HydrophobicContact CG-CH2 4.01Å; P525-W571 HydrophobicContact CG-CZ2 3.91Å; P525-Y574 HydrophobicContact CB-CD2 4.38Å; P525-Y574 HydrophobicContact CB-CE1 4.22Å; P525-Y574 HydrophobicContact CB-CE2 4.08Å; P525-Y574 PolarHBondContact O-OH 2.82Å; P525-F677 HydrophobicContact CB-CE1 4.49Å; P525-F677 HydrophobicContact CG-CD1 3.62Å; P525-F677 HydrophobicContact CG-CE1 3.79Å; P525-F677 HydrophobicContact CG-CG 4.22Å; P525-F677 HydrophobicContact CG-CZ 4.5Å
526R86.3Confident91.8Very high32 Ų3216.4 Ų16.412%0.12110%0.1CC..THydrogen-bonded Turntrans-71.1-44.7-176.2-68.2-17875-176.112.8112.5N524 D625 I626 L627 F677 G678N524-R526 VanDerWaalsContact C-N 3.28Å; N524-R526 PolarHBondContact O-N 2.85Å; N524-R526 WeakPolarHBondContact OD1-CB 3.42Å; N524-R526 PolarHBondContact OD1-N 3.26Å; R526-D625 WeakPolarHBondContact CB-OD1 3.31Å; R526-D625 IonicContact CZ-OD2 3.59Å; R526-D625 VanDerWaalsContact NE-CG 3.26Å; R526-D625 IonicContact NE-OD1 2.77Å; R526-D625 PolarHBondContact NE-OD1 3.49Å; R526-D625 IonicContact NE-OD2 2.94Å; R526-D625 PolarHBondContact NE-OD2 2.91Å; R526-D625 VanDerWaalsContact NE-OD2 3.16Å; R526-D625 IonicContact NH2-OD2 3.62Å; R526-D625 PolarHBondContact NH2-OD2 3.13Å; R526-I626 PolarHBondContact O-N 3.4Å; R526-L627 HydrophobicContact CB-CB 4.39Å; R526-L627 HydrophobicContact CG-CB 4.49Å; R526-L627 HydrophobicContact CG-CD2 4.25Å; R526-L627 PolarHBondContact O-N 3.2Å; R526-L627 VanDerWaalsContact O-N 3.14Å; R526-F677 HydrophobicContact CG-CB 4.21Å; R526-G678 PolarHBondContact NH1-O 3.28Å
527S86.4Confident91.6Very high34 Ų3416.6 Ų16.624%0.23810%0.102CC..THydrogen-bonded Turntrans-83.2-9.4179.364.20000114.3V624 I626S527-V624 WeakPolarHBondContact CA-O 3.47Å; S527-V624 WeakPolarHBondContact CB-O 3.46Å; S527-I626 WeakPolarHBondContact O-CD1 3.37Å
528S89.3Confident91.6Very high12 Ų1214.7 Ų14.78%0.0849%0.093CC..THydrogen-bonded Turntrans-107.44.7-178.961.60000113.3V522 N524 P525 S530 L531 V532V522-S528 WeakPolarHBondContact CG1-OG 3.34Å; N524-S528 WeakPolarHBondContact O-CB 3.43Å; N524-S528 PolarHBondContact O-N 2.91Å; N524-S528 PolarHBondContact O-OG 2.76Å; P525-S528 WeakPolarHBondContact CA-OG 3.14Å; P525-S528 PolarHBondContact O-OG 3.05Å; S528-S530 VanDerWaalsContact C-N 3.32Å; S528-S530 PolarHBondContact O-N 3.4Å; S528-L531 CarbonylContact O-C 3.32Å; S528-L531 WeakPolarHBondContact O-CA 3.46Å; S528-L531 WeakPolarHBondContact O-CB 3.07Å; S528-L531 PolarHBondContact O-N 3.02Å; S528-V532 WeakPolarHBondContact O-CG2 3.44Å; S528-V532 PolarHBondContact O-N 3.12Å
529A89.8Confident91.4Very high0 Ų016 Ų160%010%0.099CC..Hα-helixtrans-54.7-44.2-174.700000113.6P525 V532 Q533 Y574 L578 L627 I630P525-A529 PolarHBondContact O-N 3.26Å; A529-V532 PolarHBondContact O-N 3.23Å; A529-Q533 WeakPolarHBondContact O-CG 3.14Å; A529-Q533 PolarHBondContact O-N 3.05Å; A529-Q533 VanDerWaalsContact O-N 3.08Å; A529-Y574 VanDerWaalsContact CA-OH 3.27Å; A529-Y574 WeakPolarHBondContact CA-OH 3.44Å; A529-L578 HydrophobicContact CB-CD1 4.3Å; A529-L578 HydrophobicContact CB-CD2 4.37Å; A529-L627 HydrophobicContact CB-CB 4.2Å; A529-L627 HydrophobicContact CB-CD1 4.16Å; A529-I630 HydrophobicContact CB-CD1 3.66Å
530S90.5Very high90.7Very high0 Ų020.5 Ų20.50%012%0.119CC..Hα-helixtrans-67.3-38.7175.2-71.90000112.9S528 Q533 F534 I626 F733 V736 F738S528-S530 VanDerWaalsContact C-N 3.32Å; S528-S530 PolarHBondContact O-N 3.4Å; S530-Q533 PolarHBondContact O-N 3.42Å; S530-F534 WeakPolarHBondContact O-CB 3.42Å; S530-F534 PolarHBondContact O-N 3.29Å; S530-I626 WeakPolarHBondContact OG-CG2 3.34Å; S530-F733 VanDerWaalsContact CB-O 3.31Å; S530-F733 WeakPolarHBondContact CB-O 3.29Å; S530-V736 WeakPolarHBondContact CB-O 3.5Å; S530-V736 PolarHBondContact OG-O 2.76Å; S530-F738 WeakPolarHBondContact O-CD2 3.47Å; S530-F738 VanDerWaalsContact O-CE2 3.29Å; S530-F738 WeakPolarHBondContact O-CE2 3.32Å
531L93Very high90.1Very high13 Ų1323.1 Ų23.17%0.06815%0.145CC..Hα-helixtrans-61.8-46.7174.2178.658.7000110.6L520 S528 Q533 F534 M535 A730 F733L520-L531 HydrophobicContact CD1-CD2 3.95Å; L520-L531 HydrophobicContact CD1-CG 4.2Å; L520-L531 HydrophobicContact CD2-CG 4.35Å; S528-L531 CarbonylContact O-C 3.32Å; S528-L531 WeakPolarHBondContact O-CA 3.46Å; S528-L531 WeakPolarHBondContact O-CB 3.07Å; S528-L531 PolarHBondContact O-N 3.02Å; L531-Q533 VanDerWaalsContact C-N 3.27Å; L531-Q533 PolarHBondContact O-N 2.99Å; L531-F534 PolarHBondContact O-N 3.24Å; L531-F534 VanDerWaalsContact O-N 3.12Å; L531-M535 HydrophobicContact CD1-CG 3.81Å; L531-M535 HydrophobicContact CD1-SD 4.09Å; L531-M535 HydrophobicContact CG-CG 4.22Å; L531-M535 WeakPolarHBondContact O-CB 3.4Å; L531-M535 VanDerWaalsContact O-CG 3.26Å; L531-M535 WeakPolarHBondContact O-CG 3.26Å; L531-M535 PolarHBondContact O-N 2.87Å; L531-A730 HydrophobicContact CD1-CB 3.51Å; L531-A730 HydrophobicContact CD2-CB 3.83Å; L531-A730 HydrophobicContact CG-CB 4.33Å; L531-F733 HydrophobicContact CB-CB 3.95Å; L531-F733 HydrophobicContact CB-CG 4.23Å; L531-F733 HydrophobicContact CD1-CB 4.4Å; L531-F733 HydrophobicContact CD1-CD1 4.13Å; L531-F733 HydrophobicContact CD1-CD2 3.79Å; L531-F733 HydrophobicContact CD1-CE1 4.39Å; L531-F733 HydrophobicContact CD1-CE2 4.07Å; L531-F733 HydrophobicContact CD1-CG 3.82Å; L531-F733 HydrophobicContact CD1-CZ 4.35Å
532V92.7Very high89.8Confident0 Ų023.2 Ų23.20%015%0.151CC..Hα-helixtrans-58.4-39.4178.3170.60000111.5L520 V522 S528 A529 N536 Y544 Y574 L578 T580L520-V532 HydrophobicContact CD2-CB 4.46Å; L520-V532 HydrophobicContact CD2-CG2 3.73Å; V522-V532 HydrophobicContact CG2-CG2 4.2Å; S528-V532 WeakPolarHBondContact O-CG2 3.44Å; S528-V532 PolarHBondContact O-N 3.12Å; A529-V532 PolarHBondContact O-N 3.23Å; V532-N536 PolarHBondContact O-N 3.45Å; V532-Y544 WeakPolarHBondContact CA-OH 3.44Å; V532-Y544 PolarHBondContact O-OH 2.99Å; V532-Y544 VanDerWaalsContact O-OH 3.06Å; V532-Y574 HydrophobicContact CG1-CE1 4.25Å; V532-Y574 HydrophobicContact CG2-CE1 4.31Å; V532-L578 HydrophobicContact CB-CD1 4.11Å; V532-L578 HydrophobicContact CG1-CD1 3.77Å; V532-T580 HydrophobicContact CG1-CG2 4.06Å
533Q90.7Very high89.8Confident7 Ų723.4 Ų23.43%0.03315%0.151CC..Hα-helixtrans-68.6-43.3174-74.1178-22.300112.9A529 S530 L531 N536 S537 T580 F738A529-Q533 WeakPolarHBondContact O-CG 3.14Å; A529-Q533 PolarHBondContact O-N 3.05Å; A529-Q533 VanDerWaalsContact O-N 3.08Å; S530-Q533 PolarHBondContact O-N 3.42Å; L531-Q533 VanDerWaalsContact C-N 3.27Å; L531-Q533 PolarHBondContact O-N 2.99Å; Q533-N536 WeakPolarHBondContact O-CB 3.22Å; Q533-N536 PolarHBondContact O-N 2.87Å; Q533-S537 PolarHBondContact O-N 2.83Å; Q533-T580 HydrophobicContact CG-CG2 4.48Å; Q533-F738 HydrophobicContact CB-CD2 4.18Å
534F93Very high90.2Very high1 Ų119.1 Ų19.10%0.00412%0.116CC..Hα-helixtrans-63-46.4178.2-172.9-98.4000111.5S530 L531 N536 S537 L538 F733 F738 F801 V847 W853 A952 F954 L985S530-F534 WeakPolarHBondContact O-CB 3.42Å; S530-F534 PolarHBondContact O-N 3.29Å; L531-F534 PolarHBondContact O-N 3.24Å; L531-F534 VanDerWaalsContact O-N 3.12Å; F534-N536 VanDerWaalsContact C-N 3.29Å; F534-N536 PolarHBondContact O-N 3.36Å; F534-S537 WeakPolarHBondContact O-CA 3.3Å; F534-S537 VanDerWaalsContact O-CB 3.26Å; F534-S537 WeakPolarHBondContact O-CB 3.41Å; F534-S537 PolarHBondContact O-N 2.72Å; F534-L538 PolarHBondContact O-N 3.18Å; F534-F733 HydrophobicContact CB-CD1 4.17Å; F534-F733 HydrophobicContact CB-CE1 3.81Å; F534-F733 AromaticContact CD1-CE1 3.51Å; F534-F733 HydrophobicContact CD1-CE1 3.51Å; F534-F733 AromaticContact CD1-CZ 3.78Å; F534-F733 HydrophobicContact CD1-CZ 3.78Å; F534-F733 AromaticContact CD2-CE1 4Å; F534-F733 HydrophobicContact CD2-CE1 4Å; F534-F733 HydrophobicContact CE1-CE1 4.05Å; F534-F733 AromaticContact CE1-CZ 4Å; F534-F733 HydrophobicContact CE1-CZ 4Å; F534-F733 HydrophobicContact CE2-CE1 4.46Å; F534-F733 HydrophobicContact CG-CD1 4.31Å; F534-F733 AromaticContact CG-CE1 3.48Å; F534-F733 HydrophobicContact CG-CE1 3.48Å; F534-F733 VanDerWaalsContact CG-CE1 3.48Å; F534-F733 HydrophobicContact CG-CZ 4.22Å; F534-F733 HydrophobicContact CZ-CE1 4.48Å; F534-F738 HydrophobicContact CB-CE2 3.72Å; F534-F738 HydrophobicContact CB-CZ 4.01Å; F534-F738 HydrophobicContact CD2-CE1 4.07Å; F534-F738 HydrophobicContact CD2-CE2 4.14Å; F534-F738 AromaticContact CD2-CZ 3.54Å; F534-F738 HydrophobicContact CD2-CZ 3.54Å; F534-F738 HydrophobicContact CE2-CZ 4.44Å; F534-F738 HydrophobicContact CG-CE2 4.38Å; F534-F738 HydrophobicContact CG-CZ 4.17Å; F534-F801 HydrophobicContact CE2-CE1 4.42Å; F534-F801 HydrophobicContact CE2-CZ 4.38Å; F534-V847 HydrophobicContact CE1-CG2 4.31Å; F534-V847 HydrophobicContact CE2-CG1 3.97Å; F534-V847 HydrophobicContact CZ-CG1 3.96Å; F534-V847 HydrophobicContact CZ-CG2 4.07Å; F534-W853 HydrophobicContact CD2-CZ2 4.28Å; F534-W853 HydrophobicContact CE2-CZ2 4.29Å; F534-A952 HydrophobicContact CE2-CB 3.79Å; F534-A952 HydrophobicContact CZ-CB 3.54Å; F534-F954 HydrophobicContact CZ-CZ 4.21Å; F534-L985 HydrophobicContact CD1-CD1 4.35Å; F534-L985 HydrophobicContact CE1-CD1 3.63Å; F534-L985 HydrophobicContact CE1-CG 4.39Å
535M94.2Very high90.6Very high0 Ų016.7 Ų16.70%010%0.103CC..Hα-helixtrans-64.2-31.9179.3-67.5-44.6-86.200112.7L518 L520 L531 S537 L538 K539 Y544 C614L518-M535 HydrophobicContact CD1-CE 3.6Å; L518-M535 HydrophobicContact CD2-CB 3.68Å; L518-M535 HydrophobicContact CD2-CE 3.38Å; L518-M535 HydrophobicContact CD2-CG 4.16Å; L518-M535 HydrophobicContact CD2-SD 4.43Å; L518-M535 HydrophobicContact CG-CE 4.12Å; L520-M535 HydrophobicContact CD1-CG 4.28Å; L520-M535 HydrophobicContact CD2-CB 4.37Å; L520-M535 HydrophobicContact CD2-CG 4.12Å; L531-M535 HydrophobicContact CD1-CG 3.81Å; L531-M535 HydrophobicContact CD1-SD 4.09Å; L531-M535 HydrophobicContact CG-CG 4.22Å; L531-M535 WeakPolarHBondContact O-CB 3.4Å; L531-M535 VanDerWaalsContact O-CG 3.26Å; L531-M535 WeakPolarHBondContact O-CG 3.26Å; L531-M535 PolarHBondContact O-N 2.87Å; M535-S537 VanDerWaalsContact C-N 3.26Å; M535-S537 PolarHBondContact O-N 3.45Å; M535-L538 HydrophobicContact CE-CD2 3.56Å; M535-L538 PolarHBondContact O-N 3.37Å; M535-L538 HydrophobicContact SD-CD2 3.79Å; M535-K539 WeakPolarHBondContact O-CB 3.31Å; M535-K539 PolarHBondContact O-N 2.82Å; M535-Y544 HydrophobicContact CB-CE2 4.12Å; M535-Y544 WeakPolarHBondContact CB-OH 3.44Å; M535-C614 HydrophobicContact CE-CB 3.61Å; M535-C614 VanDerWaalsContact CE-SG 3.55Å
536N92.5Very high91Very high23 Ų2316.2 Ų16.212%0.12310%0.1CC..Hα-helixtrans-60.7-36.3170.7-178.363.6000112V532 Q533 F534 Y544 T580 K581V532-N536 PolarHBondContact O-N 3.45Å; Q533-N536 WeakPolarHBondContact O-CB 3.22Å; Q533-N536 PolarHBondContact O-N 2.87Å; F534-N536 VanDerWaalsContact C-N 3.29Å; F534-N536 PolarHBondContact O-N 3.36Å; N536-Y544 HydrophobicContact CB-CD1 4.31Å; N536-Y544 HydrophobicContact CB-CE1 3.93Å; N536-T580 HydrophobicContact CB-CG2 3.75Å; N536-K581 PolarHBondContact OD1-N 3.45Å
537S90.4Very high91.4Very high7 Ų714.7 Ų14.75%0.0499%0.094CC..Hα-helixtrans-71.1-40.2174-59.70000111.9Q533 F534 M535 K540 S850Q533-S537 PolarHBondContact O-N 2.83Å; F534-S537 WeakPolarHBondContact O-CA 3.3Å; F534-S537 VanDerWaalsContact O-CB 3.26Å; F534-S537 WeakPolarHBondContact O-CB 3.41Å; F534-S537 PolarHBondContact O-N 2.72Å; M535-S537 VanDerWaalsContact C-N 3.26Å; M535-S537 PolarHBondContact O-N 3.45Å; S537-K540 PolarHBondContact O-N 3.35Å; S537-S850 VanDerWaalsContact O-CB 3.22Å; S537-S850 WeakPolarHBondContact O-CB 3.31Å
538L92.5Very high91.8Very high1 Ų114.3 Ų14.31%0.0059%0.089CC..Hα-helixtrans-62.9-43.4178.5-176.964.9000112.5L516 F534 M535 K540 L843 V847 L985L516-L538 HydrophobicContact CD2-CD1 4.36Å; L516-L538 HydrophobicContact CD2-CD2 4.09Å; L516-L538 HydrophobicContact CD2-CG 3.61Å; F534-L538 PolarHBondContact O-N 3.18Å; M535-L538 HydrophobicContact CE-CD2 3.56Å; M535-L538 PolarHBondContact O-N 3.37Å; M535-L538 HydrophobicContact SD-CD2 3.79Å; L538-K540 VanDerWaalsContact C-N 3.26Å; L538-K540 PolarHBondContact O-N 3.49Å; L538-L843 HydrophobicContact CD1-CB 3.9Å; L538-L843 HydrophobicContact CD1-CD2 3.85Å; L538-L843 HydrophobicContact CD1-CG 4.41Å; L538-L843 VanDerWaalsContact CD1-O 3.29Å; L538-L843 WeakPolarHBondContact CD1-O 3.3Å; L538-L843 HydrophobicContact CD2-CD2 4.29Å; L538-L843 HydrophobicContact CG-CD2 4.29Å; L538-V847 HydrophobicContact CB-CG2 3.81Å; L538-V847 HydrophobicContact CD1-CG2 3.15Å; L538-V847 HydrophobicContact CG-CG2 4.04Å; L538-L985 HydrophobicContact CD2-CD1 4.19Å
539K90.7Very high91.9Very high26 Ų2614.7 Ų14.711%0.1139%0.092CC..Hα-helixtrans-53.6-40.6173.6173.8-137.6-177.3168.90112.8M535 G541 G542 Y544 K581M535-K539 WeakPolarHBondContact O-CB 3.31Å; M535-K539 PolarHBondContact O-N 2.82Å; K539-G541 VanDerWaalsContact C-N 3.28Å; K539-G541 PolarHBondContact O-N 2.84Å; K539-G542 VanDerWaalsContact CE-C 3.43Å; K539-G542 WeakPolarHBondContact CE-O 3.33Å; K539-G542 PolarHBondContact NZ-O 3.08Å; K539-G542 PolarHBondContact O-N 3.17Å; K539-G542 VanDerWaalsContact O-N 3.08Å; K539-Y544 VanDerWaalsContact CD-CB 3.46Å; K539-Y544 HydrophobicContact CD-CD1 4.43Å; K539-Y544 HydrophobicContact CD-CG 4.35Å; K539-K581 PolarHBondContact NZ-O 2.61Å
540K83.8Confident91.8Very high96 Ų9615.7 Ų15.742%0.41710%0.097SC..THydrogen-bonded Turntrans56.1-77.1-173.2-174.3-179.1-179-175.10113.7S537 L538 L846S537-K540 PolarHBondContact O-N 3.35Å; L538-K540 VanDerWaalsContact C-N 3.26Å; L538-K540 PolarHBondContact O-N 3.49Å; K540-L846 HydrophobicContact CD-CD2 4.08Å
541G84Confident91.6Very high54 Ų5416.9 Ų16.956%0.55711%0.105SC*.THydrogen-bonded Turntrans-136.57.6-177.600000115.2K539K539-G541 VanDerWaalsContact C-N 3.28Å; K539-G541 PolarHBondContact O-N 2.84Å
542G89.9Confident91.2Very high20 Ų2017 Ų1721%0.20611%0.11CC..SBendtrans-83.3-148.6177.200000113.7L516 K539L516-G542 VanDerWaalsContact O-CA 3.26Å; L516-G542 WeakPolarHBondContact O-CA 3.3Å; K539-G542 VanDerWaalsContact CE-C 3.43Å; K539-G542 WeakPolarHBondContact CE-O 3.33Å; K539-G542 PolarHBondContact NZ-O 3.08Å; K539-G542 PolarHBondContact O-N 3.17Å; K539-G542 VanDerWaalsContact O-N 3.08Å
543L93.3Very high90.7Very high11 Ų1118.9 Ų18.96%0.05812%0.12CC..EExtended strand (participates in β ladder)trans-94.9143.4174.2177.863.1000109.2L516 Q517 L518 V545 F583 M608 P610L516-L543 PolarHBondContact O-N 3.25Å; Q517-L543 CarbonylContact C-O 3.3Å; Q517-L543 WeakPolarHBondContact CA-O 3.48Å; Q517-L543 HydrophobicContact CB-CB 3.84Å; Q517-L543 HydrophobicContact CB-CD2 4.48Å; Q517-L543 HydrophobicContact CG-CB 3.94Å; L518-L543 PolarHBondContact N-O 3.29Å; L543-V545 HydrophobicContact CD1-CG2 4.24Å; L543-V545 HydrophobicContact CD2-CG2 4.27Å; L543-V545 HydrophobicContact CG-CG2 4.08Å; L543-F583 HydrophobicContact CD1-CD2 3.53Å; L543-F583 HydrophobicContact CD1-CE2 3.56Å; L543-M608 HydrophobicContact CD1-CE 3.98Å; L543-M608 HydrophobicContact CD2-CB 4.48Å; L543-P610 HydrophobicContact CD2-CG 4.48Å
544Y95.7Very high90Very high0 Ų021.5 Ų21.50%014%0.137CC..EExtended strand (participates in β ladder)trans-140.5119.4172.8-179.9-154.5000109.3L518 L520 V532 M535 N536 K539 V546 A582 F583L518-Y544 HydrophobicContact CB-CD2 4.15Å; L518-Y544 HydrophobicContact CD2-CD2 3.67Å; L518-Y544 HydrophobicContact CD2-CE2 3.65Å; L518-Y544 HydrophobicContact CG-CD2 4.02Å; L518-Y544 HydrophobicContact CG-CE2 4.26Å; L518-Y544 CarbonylContact O-C 3.58Å; L518-Y544 WeakPolarHBondContact O-CA 3.46Å; L520-Y544 HydrophobicContact CB-CE2 3.73Å; L520-Y544 HydrophobicContact CD2-CE2 4.29Å; L520-Y544 VanDerWaalsContact CD2-OH 3.24Å; L520-Y544 WeakPolarHBondContact CD2-OH 3.31Å; V532-Y544 WeakPolarHBondContact CA-OH 3.44Å; V532-Y544 PolarHBondContact O-OH 2.99Å; V532-Y544 VanDerWaalsContact O-OH 3.06Å; M535-Y544 HydrophobicContact CB-CE2 4.12Å; M535-Y544 WeakPolarHBondContact CB-OH 3.44Å; N536-Y544 HydrophobicContact CB-CD1 4.31Å; N536-Y544 HydrophobicContact CB-CE1 3.93Å; K539-Y544 VanDerWaalsContact CD-CB 3.46Å; K539-Y544 HydrophobicContact CD-CD1 4.43Å; K539-Y544 HydrophobicContact CD-CG 4.35Å; Y544-V546 HydrophobicContact CE1-CG2 4.38Å; Y544-V546 HydrophobicContact CE2-CG2 4Å; Y544-A582 HydrophobicContact CD1-CB 3.44Å; Y544-A582 VanDerWaalsContact CD1-CB 3.44Å; Y544-A582 HydrophobicContact CE1-CB 3.73Å; Y544-A582 HydrophobicContact CG-CB 3.89Å; Y544-A582 CarbonylContact O-C 3.59Å; Y544-A582 VanDerWaalsContact O-CA 3.29Å; Y544-A582 WeakPolarHBondContact O-CA 3.49Å; Y544-F583 PolarHBondContact O-N 2.93Å
545V96.4Very high89.4Confident2 Ų226.3 Ų26.31%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-118.4130.9177.4-173.90000107.9L518 L519 L520 L543 F583 E585 P610L518-V545 PolarHBondContact O-N 3.46Å; L519-V545 CarbonylContact C-O 3.59Å; L519-V545 WeakPolarHBondContact CA-O 3.33Å; L519-V545 HydrophobicContact CD1-CB 4.03Å; L519-V545 HydrophobicContact CD1-CG1 3.96Å; L520-V545 PolarHBondContact N-O 3.32Å; L543-V545 HydrophobicContact CD1-CG2 4.24Å; L543-V545 HydrophobicContact CD2-CG2 4.27Å; L543-V545 HydrophobicContact CG-CG2 4.08Å; V545-F583 CarbonylContact C-O 3.52Å; V545-F583 WeakPolarHBondContact CA-O 3.39Å; V545-F583 HydrophobicContact CG2-CB 4.41Å; V545-E585 HydrophobicContact CG1-CB 3.93Å; V545-E585 HydrophobicContact CG1-CG 3.73Å; V545-P610 HydrophobicContact CG2-CG 4.42Å
546V95.9Very high88.6Confident1 Ų132.2 Ų32.21%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-100.3113.9169.1177.80000106.8V522 Y544 W571 A582 F583 V584 E585V522-V546 HydrophobicContact CB-CG1 4.45Å; V522-V546 HydrophobicContact CG2-CG1 3.87Å; Y544-V546 HydrophobicContact CE1-CG2 4.38Å; Y544-V546 HydrophobicContact CE2-CG2 4Å; V546-W571 HydrophobicContact CG1-CE3 3.93Å; V546-W571 HydrophobicContact CG1-CZ3 3.61Å; V546-A582 HydrophobicContact CG2-CB 3.84Å; V546-F583 PolarHBondContact N-O 3.23Å; V546-V584 WeakPolarHBondContact O-CA 3.36Å; V546-E585 PolarHBondContact O-N 3.41Å
547G94.9Very high87.5Confident0 Ų033.7 Ų33.70%020%0.196CC..EExtended strand (participates in β ladder)trans-100.9133.1-179.300000111.7L520 L521 V522 E585L520-G547 PolarHBondContact O-N 3.16Å; L521-G547 WeakPolarHBondContact CA-O 3.25Å; V522-G547 PolarHBondContact N-O 3.25Å; G547-E585 CarbonylContact C-O 3.51Å; G547-E585 VanDerWaalsContact CA-O 3.28Å; G547-E585 WeakPolarHBondContact CA-O 3.48Å
548H94Very high86.4Confident27 Ų2739.2 Ų39.213%0.12523%0.229CC..EExtended strand (participates in β ladder)trans-128.1136171.5-178.262.8000110.4V522 A523 Q567 W571 E585 I586 T587V522-H548 PolarHBondContact O-ND1 3.16Å; A523-H548 PolarHBondContact O-CE1 2.86Å; A523-H548 PolarHBondContact O-ND1 2.88Å; H548-Q567 PolarHBondContact CD2-OE1 3.37Å; H548-Q567 VanDerWaalsContact CD2-OE1 3.25Å; H548-W571 HydrophobicContact CB-CH2 4.17Å; H548-W571 HydrophobicContact CB-CZ2 3.58Å; H548-W571 AromaticContact CD2-CZ2 3.98Å; H548-W571 AromaticContact CD2-NE1 3.74Å; H548-W571 AromaticContact CG-CE2 3.84Å; H548-W571 AromaticContact CG-CZ2 3.43Å; H548-W571 VanDerWaalsContact CG-CZ2 3.43Å; H548-W571 AromaticContact CG-NE1 3.93Å; H548-W571 AromaticContact ND1-CZ2 3.6Å; H548-E585 PolarHBondContact N-O 2.89Å; H548-I586 HydrophobicContact CB-CG1 4.41Å; H548-I586 VanDerWaalsContact O-CA 3.31Å; H548-I586 WeakPolarHBondContact O-CA 3.16Å; H548-T587 PolarHBondContact O-N 3.44Å
549A91.7Very high85.5Confident19 Ų1946.9 Ų46.916%0.15727%0.27CS..EExtended strand (participates in β ladder)trans-111122179.800000109.4T587 V592 A595 I596A549-T587 WeakPolarHBondContact CA-O 3.41Å; A549-V592 HydrophobicContact CB-CG1 4.22Å; A549-A595 HydrophobicContact CB-CB 3.69Å; A549-I596 HydrophobicContact CB-CG1 3.96Å
550I88Confident84.6Confident22 Ų2250.1 Ų50.111%0.11329%0.286CS..EExtended strand (participates in β ladder)trans-95.4135174.5-54.1170.8000108Q567 I586 T587 I588 D589I550-Q567 HydrophobicContact CD1-CG 4.15Å; I550-I586 HydrophobicContact CD1-CG2 3.63Å; I550-I586 HydrophobicContact CG1-CG2 3.93Å; I550-T587 PolarHBondContact N-O 3.38Å; I550-I588 HydrophobicContact CB-CB 4.28Å; I550-I588 HydrophobicContact CB-CD1 4.46Å; I550-I588 HydrophobicContact CB-CG1 4.19Å; I550-I588 HydrophobicContact CG2-CD1 4.09Å; I550-I588 HydrophobicContact CG2-CG1 4.24Å; I550-I588 WeakPolarHBondContact O-CA 3.41Å; I550-D589 PolarHBondContact O-N 3.23Å
551C86.2Confident84.3Confident25 Ų2549.5 Ų49.517%0.16929%0.293CS..EExtended strand (participates in β ladder)trans-90.4121.7169.4-164.10000109.1D589 R590 V592 S705C551-D589 WeakPolarHBondContact CA-O 3.45Å; C551-R590 PolarHBondContact SG-O 2.69Å; C551-V592 HydrophobicContact CB-CG2 3.84Å; C551-S705 PolarHBondContact SG-O 3.45Å
552G84.3Confident84.1Confident15 Ų1550.1 Ų50.116%0.15528%0.284CS..SBendtrans177.6148.5177.900000110.3P554 D589 R590G552-P554 VanDerWaalsContact O-CD 3.29Å; G552-P554 WeakPolarHBondContact O-CD 3.3Å; G552-D589 PolarHBondContact N-O 2.83Å; G552-D589 CarbonylContact O-C 3.54Å; G552-R590 PolarHBondContact O-N 3.14Å
553D81.8Confident83.8Confident39 Ų3950 Ų5021%0.20928%0.28CS..  trans-76.6118.1176.8-160.3-1.5000109.3D555 E556 F557 R590D553-D555 PolarHBondContact O-N 3.24Å; D553-D555 VanDerWaalsContact O-N 3.08Å; D553-E556 HydrophobicContact CB-CG 4.05Å; D553-E556 PolarHBondContact O-N 2.8Å; D553-E556 VanDerWaalsContact O-N 3.11Å; D553-F557 VanDerWaalsContact O-CD2 3.22Å; D553-F557 WeakPolarHBondContact O-CD2 3.4Å; D553-F557 WeakPolarHBondContact O-CE2 3.43Å; D553-R590 HydrophobicContact CB-CG 4.33Å; D553-R590 WeakPolarHBondContact OD1-CG 3.49Å; D553-R590 IonicContact OD1-CZ 3.67Å; D553-R590 IonicContact OD1-NE 3.54Å; D553-R590 PolarHBondContact OD1-NE 2.98Å; D553-R590 IonicContact OD1-NH2 3.7Å; D553-R590 IonicContact OD2-CZ 2.91Å; D553-R590 IonicContact OD2-NE 2.98Å; D553-R590 PolarHBondContact OD2-NE 3.4Å; D553-R590 IonicContact OD2-NH2 2.78Å
554P77.5Confident83.5Confident62 Ų6250.2 Ų50.240%0.40328%0.282SS..G310 helixtrans-56.7-26.3177.7-23.935.1000112.8G552 E556 F557 I588G552-P554 VanDerWaalsContact O-CD 3.29Å; G552-P554 WeakPolarHBondContact O-CD 3.3Å; P554-E556 VanDerWaalsContact C-N 3.29Å; P554-E556 PolarHBondContact O-N 3.45Å; P554-F557 PolarHBondContact O-N 3.27Å; P554-I588 HydrophobicContact CG-CG2 4.5Å
555D80.3Confident83Confident103 Ų10355.5 Ų55.555%0.55131%0.309SS*.G310 helixtrans-71.7-17.9-178.6-60.9-33.8000113.4D553 F557 V558 R590D553-D555 PolarHBondContact O-N 3.24Å; D553-D555 VanDerWaalsContact O-N 3.08Å; D555-F557 VanDerWaalsContact C-N 3.35Å; D555-V558 WeakPolarHBondContact O-CG2 3.41Å; D555-R590 IonicContact OD2-CZ 3.67Å; D555-R590 IonicContact OD2-NH2 3.66Å; D555-R590 PolarHBondContact OD2-NH2 3.21Å
556E77.5Confident82.4Confident123 Ų12359.6 Ų59.658%0.57533%0.331SS*.G310 helixtrans-79.6-16179.2-73.9175.9179.100113.2D553 P554D553-E556 HydrophobicContact CB-CG 4.05Å; D553-E556 PolarHBondContact O-N 2.8Å; D553-E556 VanDerWaalsContact O-N 3.11Å; P554-E556 VanDerWaalsContact C-N 3.29Å; P554-E556 PolarHBondContact O-N 3.45Å
557F69.6Low81.9Confident55 Ų5562.2 Ų62.224%0.24134%0.343CS..G310 helixtrans-97.120.2-170.8-58.7-75.8000114.5D553 P554 D555 D559 Q560 P563 I588D553-F557 VanDerWaalsContact O-CD2 3.22Å; D553-F557 WeakPolarHBondContact O-CD2 3.4Å; D553-F557 WeakPolarHBondContact O-CE2 3.43Å; P554-F557 PolarHBondContact O-N 3.27Å; D555-F557 VanDerWaalsContact C-N 3.35Å; F557-D559 VanDerWaalsContact C-N 3.34Å; F557-D559 PolarHBondContact O-N 2.86Å; F557-Q560 PolarHBondContact O-N 3.26Å; F557-P563 HydrophobicContact CD1-CG 4.25Å; F557-P563 HydrophobicContact CE1-CG 3.98Å; F557-P563 HydrophobicContact CE2-CG 4.26Å; F557-P563 HydrophobicContact CZ-CG 3.99Å; F557-I588 HydrophobicContact CD2-CD1 4.25Å; F557-I588 HydrophobicContact CE2-CD1 3.58Å; F557-I588 HydrophobicContact CZ-CD1 4.17Å
558V67.2Low81.6Confident122 Ų12268.9 Ų68.974%0.73937%0.368SS*.THydrogen-bonded Turntrans-59.6-40.4-174.2179.40000113.1D555D555-V558 WeakPolarHBondContact O-CG2 3.41Å
559D71.8Confident81.2Confident162 Ų16273.3 Ų73.387%0.86638%0.384SS*.THydrogen-bonded Turntrans-96.7-0.7-177.5-66.4-32.1000113.9F557F557-D559 VanDerWaalsContact C-N 3.34Å; F557-D559 PolarHBondContact O-N 2.86Å
560Q73.7Confident81Confident95 Ų9575.4 Ų75.444%0.44439%0.388SS..SBendtrans-118.7158.3-175.7-63.8-176.719.600111.6F557 D562 H692F557-Q560 PolarHBondContact O-N 3.26Å; Q560-D562 PolarHBondContact O-N 3.38Å; Q560-H692 PolarHBondContact NE2-CE1 3.27Å; Q560-H692 VanDerWaalsContact NE2-CE1 3.28Å; Q560-H692 PolarHBondContact NE2-NE2 2.85Å; Q560-H692 PolarHBondContact OE1-NE2 3.41Å
561S75.9Confident81.2Confident82 Ų8274.5 Ų74.557%0.57338%0.384SS*.  trans-65132.4172.561.40000110.3
562D81.3Confident81.2Confident67 Ų6775.6 Ų75.636%0.35839%0.39SS..  trans-48.8121.3175.7174.18.5000111.4Q560 C564 L565Q560-D562 PolarHBondContact O-N 3.38Å; D562-C564 PolarHBondContact O-N 3.47Å; D562-C564 VanDerWaalsContact O-N 3.15Å; D562-C564 VanDerWaalsContact OD1-CB 3.27Å; D562-C564 WeakPolarHBondContact OD1-CB 3.47Å; D562-C564 PolarHBondContact OD1-N 3.12Å; D562-C564 PolarHBondContact OD1-SG 3.26Å; D562-L565 HydrophobicContact CB-CD1 4.24Å; D562-L565 HydrophobicContact CB-CG 4.24Å; D562-L565 PolarHBondContact O-N 3.28Å; D562-L565 VanDerWaalsContact O-N 3.14Å
563P82.8Confident81.2Confident19 Ų1977.4 Ų77.412%0.12339%0.394CS..Hα-helixtrans-59-26.7179.524.9-35.7000112.9F557 L565 N566 Q567 I588F557-P563 HydrophobicContact CD1-CG 4.25Å; F557-P563 HydrophobicContact CE1-CG 3.98Å; F557-P563 HydrophobicContact CE2-CG 4.26Å; F557-P563 HydrophobicContact CZ-CG 3.99Å; P563-L565 VanDerWaalsContact C-N 3.28Å; P563-L565 PolarHBondContact O-N 2.72Å; P563-N566 PolarHBondContact O-N 3.36Å; P563-Q567 WeakPolarHBondContact O-CG 3.29Å; P563-Q567 PolarHBondContact O-N 3.02Å; P563-I588 HydrophobicContact CG-CD1 3.79Å
564C87.1Confident81.6Confident14 Ų1475.6 Ų75.610%0.09538%0.384CS..Hα-helixtrans-62.3-34178.6-59.40000112.2D562 R568 I586D562-C564 PolarHBondContact O-N 3.47Å; D562-C564 VanDerWaalsContact O-N 3.15Å; D562-C564 VanDerWaalsContact OD1-CB 3.27Å; D562-C564 WeakPolarHBondContact OD1-CB 3.47Å; D562-C564 PolarHBondContact OD1-N 3.12Å; D562-C564 PolarHBondContact OD1-SG 3.26Å; C564-R568 WeakPolarHBondContact O-CB 3.47Å; C564-R568 PolarHBondContact O-N 3.3Å; C564-I586 HydrophobicContact CB-CG2 4.44Å
565L84.4Confident82.1Confident111 Ų11173 Ų7358%0.58137%0.368SS*.Hα-helixtrans-65.4-48.5-179.7-68.2174.8000111.4D562 P563 R568 W569D562-L565 HydrophobicContact CB-CD1 4.24Å; D562-L565 HydrophobicContact CB-CG 4.24Å; D562-L565 PolarHBondContact O-N 3.28Å; D562-L565 VanDerWaalsContact O-N 3.14Å; P563-L565 VanDerWaalsContact C-N 3.28Å; P563-L565 PolarHBondContact O-N 2.72Å; L565-R568 PolarHBondContact O-N 2.83Å; L565-W569 PolarHBondContact O-N 3.15Å
566N84.6Confident82.3Confident88 Ų8874.4 Ų74.447%0.47137%0.368SS..Hα-helixtrans-64.3-47.1178.7-68.8-21.5000110.3P563 R568 W569 Y570P563-N566 PolarHBondContact O-N 3.36Å; N566-R568 VanDerWaalsContact C-N 3.35Å; N566-R568 PolarHBondContact O-N 2.92Å; N566-W569 PolarHBondContact O-N 3.41Å; N566-Y570 WeakPolarHBondContact O-CD2 3.5Å; N566-Y570 PolarHBondContact O-N 3.45Å
567Q85.9Confident82.6Confident56 Ų5671.1 Ų71.126%0.26235%0.351SS..Hα-helixtrans-60.4-43.3176.3-72.4-15710.900112.2H548 I550 P563 W569 Y570 W571 I586H548-Q567 PolarHBondContact CD2-OE1 3.37Å; H548-Q567 VanDerWaalsContact CD2-OE1 3.25Å; I550-Q567 HydrophobicContact CD1-CG 4.15Å; P563-Q567 WeakPolarHBondContact O-CG 3.29Å; P563-Q567 PolarHBondContact O-N 3.02Å; Q567-W569 PolarHBondContact O-N 2.95Å; Q567-Y570 PolarHBondContact O-N 3.25Å; Q567-W571 PolarHBondContact O-N 2.79Å; Q567-I586 VanDerWaalsContact C-CD1 3.48Å; Q567-I586 HydrophobicContact CB-CD1 3.64Å
568R88.5Confident83.3Confident140 Ų14068.5 Ų68.553%0.52834%0.34SS..Hα-helixtrans-58.8-37.9-178.9-176.8175.9-174.31575.5111.7C564 L565 N566 T572 V584 I586C564-R568 WeakPolarHBondContact O-CB 3.47Å; C564-R568 PolarHBondContact O-N 3.3Å; L565-R568 PolarHBondContact O-N 2.83Å; N566-R568 VanDerWaalsContact C-N 3.35Å; N566-R568 PolarHBondContact O-N 2.92Å; R568-T572 WeakPolarHBondContact O-CB 3.28Å; R568-T572 PolarHBondContact O-N 3Å; R568-T572 PolarHBondContact O-OG1 3.15Å; R568-V584 HydrophobicContact CG-CG1 4.43Å; R568-I586 VanDerWaalsContact CA-CD1 3.46Å; R568-I586 HydrophobicContact CB-CD1 4.06Å; R568-I586 VanDerWaalsContact N-CD1 3.31Å
569W85.7Confident84.1Confident120 Ų12066.2 Ų66.246%0.45532%0.32SS..Hα-helixtrans-64-48.7174.4-175.684.7000111.7L565 N566 Q567 W571 T572 Q573 L668L565-W569 PolarHBondContact O-N 3.15Å; N566-W569 PolarHBondContact O-N 3.41Å; Q567-W569 PolarHBondContact O-N 2.95Å; W569-W571 PolarHBondContact O-N 2.91Å; W569-T572 WeakPolarHBondContact O-CB 3.5Å; W569-T572 PolarHBondContact O-N 3.04Å; W569-Q573 HydrophobicContact CD2-CG 4.3Å; W569-Q573 HydrophobicContact CZ2-CG 4.29Å; W569-Q573 WeakPolarHBondContact O-CG 3.44Å; W569-Q573 PolarHBondContact O-N 3.46Å; W569-L668 HydrophobicContact CE3-CD1 4.45Å; W569-L668 HydrophobicContact CH2-CD1 3.22Å; W569-L668 HydrophobicContact CH2-CG 3.72Å; W569-L668 HydrophobicContact CZ2-CD1 4.38Å; W569-L668 HydrophobicContact CZ3-CD1 3.28Å; W569-L668 HydrophobicContact CZ3-CG 4.19Å
570Y87.3Confident84.8Confident63 Ų6358.9 Ų58.925%0.24728%0.281CS..Hα-helixtrans-59.3-46.1176.7-66.9-59.7000112.8N566 Q567 T572 Q573 Y574 L668 N676N566-Y570 WeakPolarHBondContact O-CD2 3.5Å; N566-Y570 PolarHBondContact O-N 3.45Å; Q567-Y570 PolarHBondContact O-N 3.25Å; Y570-T572 VanDerWaalsContact C-N 3.31Å; Y570-T572 PolarHBondContact O-N 3.2Å; Y570-Q573 PolarHBondContact O-N 3.26Å; Y570-Q573 VanDerWaalsContact O-N 3.15Å; Y570-Y574 WeakPolarHBondContact O-CB 3.48Å; Y570-Y574 PolarHBondContact O-N 3.01Å; Y570-L668 HydrophobicContact CD1-CD1 4.35Å; Y570-L668 HydrophobicContact CE1-CD1 4.1Å; Y570-N676 HydrophobicContact CD1-CB 4.05Å; Y570-N676 HydrophobicContact CE1-CB 3.66Å; Y570-N676 WeakPolarHBondContact CE1-ND2 3.44Å
571W91Very high85.6Confident4 Ų462.3 Ų62.32%0.01529%0.294CS..Hα-helixtrans-63.1-36.5176.8-81.994.8000112.3V522 P525 V546 H548 Q567 W569 Q573 Y574 V575 V584 I586V522-W571 HydrophobicContact CB-CH2 3.79Å; V522-W571 HydrophobicContact CB-CZ3 4.19Å; V522-W571 HydrophobicContact CG1-CH2 3.59Å; V522-W571 HydrophobicContact CG1-CZ3 4.14Å; P525-W571 HydrophobicContact CB-CE3 4.46Å; P525-W571 HydrophobicContact CB-CH2 3.61Å; P525-W571 HydrophobicContact CB-CZ2 4.01Å; P525-W571 HydrophobicContact CB-CZ3 3.86Å; P525-W571 HydrophobicContact CG-CH2 4.01Å; P525-W571 HydrophobicContact CG-CZ2 3.91Å; V546-W571 HydrophobicContact CG1-CE3 3.93Å; V546-W571 HydrophobicContact CG1-CZ3 3.61Å; H548-W571 HydrophobicContact CB-CH2 4.17Å; H548-W571 HydrophobicContact CB-CZ2 3.58Å; H548-W571 AromaticContact CD2-CZ2 3.98Å; H548-W571 AromaticContact CD2-NE1 3.74Å; H548-W571 AromaticContact CG-CE2 3.84Å; H548-W571 AromaticContact CG-CZ2 3.43Å; H548-W571 VanDerWaalsContact CG-CZ2 3.43Å; H548-W571 AromaticContact CG-NE1 3.93Å; H548-W571 AromaticContact ND1-CZ2 3.6Å; Q567-W571 PolarHBondContact O-N 2.79Å; W569-W571 PolarHBondContact O-N 2.91Å; W571-Q573 VanDerWaalsContact C-N 3.35Å; W571-Y574 AromaticContact CE3-CD1 3.91Å; W571-Y574 HydrophobicContact CE3-CD1 3.91Å; W571-Y574 HydrophobicContact CE3-CE1 4.19Å; W571-Y574 HydrophobicContact CZ3-CD1 4.23Å; W571-Y574 HydrophobicContact CZ3-CE1 4.04Å; W571-Y574 WeakPolarHBondContact O-CB 3.31Å; W571-Y574 PolarHBondContact O-N 2.98Å; W571-V575 WeakPolarHBondContact O-CG2 3.5Å; W571-V575 PolarHBondContact O-N 3.44Å; W571-V584 HydrophobicContact CB-CB 4.38Å; W571-V584 HydrophobicContact CB-CG1 3.39Å; W571-V584 HydrophobicContact CB-CG2 4.11Å; W571-V584 HydrophobicContact CG-CG1 4.15Å; W571-I586 HydrophobicContact CB-CD1 4.25Å; W571-I586 HydrophobicContact CG-CD1 3.89Å
572T87.3Confident86.4Confident48 Ų4859.2 Ų59.229%0.29427%0.274SS..Hα-helixtrans-64.1-41.2173.8-600000111.1R568 W569 Y570 K576R568-T572 WeakPolarHBondContact O-CB 3.28Å; R568-T572 PolarHBondContact O-N 3Å; R568-T572 PolarHBondContact O-OG1 3.15Å; W569-T572 WeakPolarHBondContact O-CB 3.5Å; W569-T572 PolarHBondContact O-N 3.04Å; Y570-T572 VanDerWaalsContact C-N 3.31Å; Y570-T572 PolarHBondContact O-N 3.2Å; T572-K576 HydrophobicContact CG2-CD 4.43Å; T572-K576 WeakPolarHBondContact O-CB 2.99Å; T572-K576 VanDerWaalsContact O-CG 3.29Å; T572-K576 WeakPolarHBondContact O-CG 3.23Å; T572-K576 PolarHBondContact O-N 3.41Å
573Q85Confident87Confident52 Ų5262 Ų6224%0.24328%0.283CS..Hα-helixtrans-67.5-37.7174.6-61.8-57.8-18.400112W569 Y570 W571 K576 Y577 L673W569-Q573 HydrophobicContact CD2-CG 4.3Å; W569-Q573 HydrophobicContact CZ2-CG 4.29Å; W569-Q573 WeakPolarHBondContact O-CG 3.44Å; W569-Q573 PolarHBondContact O-N 3.46Å; Y570-Q573 PolarHBondContact O-N 3.26Å; Y570-Q573 VanDerWaalsContact O-N 3.15Å; W571-Q573 VanDerWaalsContact C-N 3.35Å; Q573-K576 PolarHBondContact O-N 2.84Å; Q573-Y577 VanDerWaalsContact O-CB 3.3Å; Q573-Y577 WeakPolarHBondContact O-CB 3.2Å; Q573-Y577 PolarHBondContact O-N 3.06Å; Q573-L673 HydrophobicContact CB-CD1 4.11Å; Q573-L673 HydrophobicContact CB-CD2 4.41Å; Q573-L673 HydrophobicContact CB-CG 4.44Å
574Y88.4Confident87.5Confident2 Ų261.6 Ų61.61%0.00828%0.28CS..Hα-helixtrans-60.1-48.8173.8165.5-102.5000112.3P525 A529 V532 Y570 W571 K576 Y577 L578 L627P525-Y574 HydrophobicContact CB-CD2 4.38Å; P525-Y574 HydrophobicContact CB-CE1 4.22Å; P525-Y574 HydrophobicContact CB-CE2 4.08Å; P525-Y574 PolarHBondContact O-OH 2.82Å; A529-Y574 VanDerWaalsContact CA-OH 3.27Å; A529-Y574 WeakPolarHBondContact CA-OH 3.44Å; V532-Y574 HydrophobicContact CG1-CE1 4.25Å; V532-Y574 HydrophobicContact CG2-CE1 4.31Å; Y570-Y574 WeakPolarHBondContact O-CB 3.48Å; Y570-Y574 PolarHBondContact O-N 3.01Å; W571-Y574 AromaticContact CE3-CD1 3.91Å; W571-Y574 HydrophobicContact CE3-CD1 3.91Å; W571-Y574 HydrophobicContact CE3-CE1 4.19Å; W571-Y574 HydrophobicContact CZ3-CD1 4.23Å; W571-Y574 HydrophobicContact CZ3-CE1 4.04Å; W571-Y574 WeakPolarHBondContact O-CB 3.31Å; W571-Y574 PolarHBondContact O-N 2.98Å; Y574-K576 PolarHBondContact O-N 3.03Å; Y574-Y577 WeakPolarHBondContact O-CB 3.33Å; Y574-Y577 PolarHBondContact O-N 3.31Å; Y574-L578 HydrophobicContact CD1-CD1 4.44Å; Y574-L578 HydrophobicContact CD2-CD1 4.2Å; Y574-L578 HydrophobicContact CD2-CG 4.31Å; Y574-L578 HydrophobicContact CE1-CD1 3.77Å; Y574-L578 HydrophobicContact CE2-CD1 3.47Å; Y574-L578 VanDerWaalsContact CE2-CD1 3.47Å; Y574-L578 HydrophobicContact CE2-CG 3.96Å; Y574-L578 PolarHBondContact O-N 3Å; Y574-L578 VanDerWaalsContact OH-CD1 3.29Å; Y574-L578 WeakPolarHBondContact OH-CD1 3.32Å; Y574-L627 HydrophobicContact CD2-CD1 4.36Å; Y574-L627 HydrophobicContact CD2-CD2 4.12Å; Y574-L627 HydrophobicContact CE2-CD1 4.02Å; Y574-L627 HydrophobicContact CE2-CD2 4.09Å
575V89.4Confident87.9Confident8 Ų863.2 Ų63.25%0.04829%0.287CS..Hα-helixtrans-60.6-44.1175.7166.40000111W571 Y577 L578 K579 T580 A582 V584W571-V575 WeakPolarHBondContact O-CG2 3.5Å; W571-V575 PolarHBondContact O-N 3.44Å; V575-Y577 PolarHBondContact O-N 2.89Å; V575-L578 PolarHBondContact O-N 3.24Å; V575-K579 PolarHBondContact O-N 2.99Å; V575-T580 WeakPolarHBondContact CG1-O 3.19Å; V575-T580 WeakPolarHBondContact CG1-OG1 3.18Å; V575-T580 PolarHBondContact O-N 3.13Å; V575-T580 PolarHBondContact O-OG1 2.99Å; V575-A582 HydrophobicContact CG1-CB 4.07Å; V575-A582 HydrophobicContact CG2-CB 4.46Å; V575-V584 HydrophobicContact CB-CG2 4.42Å; V575-V584 HydrophobicContact CG2-CG2 3.67Å
576K83.5Confident88.3Confident131 Ų13159.1 Ų59.157%0.5727%0.265SS*.Hα-helixtrans-60.4-43.5173.7-74.8174.3-179.8178.30112.1T572 Q573 Y574 K579T572-K576 HydrophobicContact CG2-CD 4.43Å; T572-K576 WeakPolarHBondContact O-CB 2.99Å; T572-K576 VanDerWaalsContact O-CG 3.29Å; T572-K576 WeakPolarHBondContact O-CG 3.23Å; T572-K576 PolarHBondContact O-N 3.41Å; Q573-K576 PolarHBondContact O-N 2.84Å; Y574-K576 PolarHBondContact O-N 3.03Å; K576-K579 WeakPolarHBondContact O-CA 3.08Å; K576-K579 PolarHBondContact O-N 3.12Å; K576-K579 VanDerWaalsContact O-N 3.07Å
577Y84.1Confident88.6Confident54 Ų5456.4 Ų56.421%0.21225%0.252CS..Hα-helixtrans-64.3-44.7178.7173.7-100.1000111.7Q573 Y574 V575 K579 L627 W631 R634Q573-Y577 VanDerWaalsContact O-CB 3.3Å; Q573-Y577 WeakPolarHBondContact O-CB 3.2Å; Q573-Y577 PolarHBondContact O-N 3.06Å; Y574-Y577 WeakPolarHBondContact O-CB 3.33Å; Y574-Y577 PolarHBondContact O-N 3.31Å; V575-Y577 PolarHBondContact O-N 2.89Å; Y577-K579 PolarHBondContact O-N 3.06Å; Y577-L627 HydrophobicContact CD1-CD1 4.13Å; Y577-L627 HydrophobicContact CE1-CD1 3.87Å; Y577-W631 WeakPolarHBondContact OH-CA 2.95Å; Y577-W631 WeakPolarHBondContact OH-CB 3.36Å; Y577-W631 VanDerWaalsContact OH-CD1 3.31Å; Y577-R634 PolarHBondContact O-NH1 3.18Å
578L84.9Confident88.8Confident0 Ų055.3 Ų55.30%025%0.247CC..Hα-helixtrans-70.1-8.5174.1-69-173.3000113.2A529 V532 Y574 V575 T580 L627A529-L578 HydrophobicContact CB-CD1 4.3Å; A529-L578 HydrophobicContact CB-CD2 4.37Å; V532-L578 HydrophobicContact CB-CD1 4.11Å; V532-L578 HydrophobicContact CG1-CD1 3.77Å; Y574-L578 HydrophobicContact CD1-CD1 4.44Å; Y574-L578 HydrophobicContact CD2-CD1 4.2Å; Y574-L578 HydrophobicContact CD2-CG 4.31Å; Y574-L578 HydrophobicContact CE1-CD1 3.77Å; Y574-L578 HydrophobicContact CE2-CD1 3.47Å; Y574-L578 VanDerWaalsContact CE2-CD1 3.47Å; Y574-L578 HydrophobicContact CE2-CG 3.96Å; Y574-L578 PolarHBondContact O-N 3Å; Y574-L578 VanDerWaalsContact OH-CD1 3.29Å; Y574-L578 WeakPolarHBondContact OH-CD1 3.32Å; V575-L578 PolarHBondContact O-N 3.24Å; L578-T580 HydrophobicContact CB-CG2 3.99Å; L578-T580 PolarHBondContact O-N 3.42Å; L578-L627 HydrophobicContact CD2-CD1 3.99Å
579K83.6Confident88.9Confident74 Ų7449.6 Ų49.632%0.32223%0.227SC..THydrogen-bonded Turntrans6027.2-174.7-58.3-175.5172.8-170.10113.4V575 K576 Y577 D746V575-K579 PolarHBondContact O-N 2.99Å; K576-K579 WeakPolarHBondContact O-CA 3.08Å; K576-K579 PolarHBondContact O-N 3.12Å; K576-K579 VanDerWaalsContact O-N 3.07Å; Y577-K579 PolarHBondContact O-N 3.06Å; K579-D746 IonicContact NZ-OD2 2.58Å; K579-D746 PolarHBondContact NZ-OD2 2.85Å
580T86.1Confident89Confident9 Ų950.6 Ų50.66%0.05523%0.231CC..  trans-84.8140.4179.649.90000110.7V532 Q533 N536 V575 L578 A582V532-T580 HydrophobicContact CG1-CG2 4.06Å; Q533-T580 HydrophobicContact CG-CG2 4.48Å; N536-T580 HydrophobicContact CB-CG2 3.75Å; V575-T580 WeakPolarHBondContact CG1-O 3.19Å; V575-T580 WeakPolarHBondContact CG1-OG1 3.18Å; V575-T580 PolarHBondContact O-N 3.13Å; V575-T580 PolarHBondContact O-OG1 2.99Å; L578-T580 HydrophobicContact CB-CG2 3.99Å; L578-T580 PolarHBondContact O-N 3.42Å; T580-A582 VanDerWaalsContact C-N 3.31Å; T580-A582 PolarHBondContact O-N 3.45Å
581K90.6Very high89.1Confident166 Ų16649.2 Ų49.272%0.72223%0.23SC*.  trans-93.268.2178.8-65.8-177.2-178.3-178.60109.1N536 K539N536-K581 PolarHBondContact OD1-N 3.45Å; K539-K581 PolarHBondContact NZ-O 2.61Å
582A92.4Very high89.1Confident18 Ų1850 Ų5015%0.14924%0.236CC..  trans-120.7151.4-177.800000111.7Y544 V546 V575 T580Y544-A582 HydrophobicContact CD1-CB 3.44Å; Y544-A582 VanDerWaalsContact CD1-CB 3.44Å; Y544-A582 HydrophobicContact CE1-CB 3.73Å; Y544-A582 HydrophobicContact CG-CB 3.89Å; Y544-A582 CarbonylContact O-C 3.59Å; Y544-A582 VanDerWaalsContact O-CA 3.29Å; Y544-A582 WeakPolarHBondContact O-CA 3.49Å; V546-A582 HydrophobicContact CG2-CB 3.84Å; V575-A582 HydrophobicContact CG1-CB 4.07Å; V575-A582 HydrophobicContact CG2-CB 4.46Å; T580-A582 VanDerWaalsContact C-N 3.31Å; T580-A582 PolarHBondContact O-N 3.45Å
583F94.3Very high89.3Confident124 Ų12449.6 Ų49.654%0.54423%0.229SC..EExtended strand (participates in β ladder)trans-86.3154.2161.5-60.8-74.9000109.3L543 Y544 V545 V546L543-F583 HydrophobicContact CD1-CD2 3.53Å; L543-F583 HydrophobicContact CD1-CE2 3.56Å; Y544-F583 PolarHBondContact O-N 2.93Å; V545-F583 CarbonylContact C-O 3.52Å; V545-F583 WeakPolarHBondContact CA-O 3.39Å; V545-F583 HydrophobicContact CG2-CB 4.41Å; V546-F583 PolarHBondContact N-O 3.23Å
584V94.3Very high89.6Confident11 Ų1154.2 Ų54.27%0.06724%0.244CC..EExtended strand (participates in β ladder)trans-115.4126.7178.8172.30000107.9V546 R568 W571 V575 I586V546-V584 WeakPolarHBondContact O-CA 3.36Å; R568-V584 HydrophobicContact CG-CG1 4.43Å; W571-V584 HydrophobicContact CB-CB 4.38Å; W571-V584 HydrophobicContact CB-CG1 3.39Å; W571-V584 HydrophobicContact CB-CG2 4.11Å; W571-V584 HydrophobicContact CG-CG1 4.15Å; V575-V584 HydrophobicContact CB-CG2 4.42Å; V575-V584 HydrophobicContact CG2-CG2 3.67Å; V584-I586 HydrophobicContact CG1-CD1 4.19Å; V584-I586 HydrophobicContact CG1-CG1 3.98Å
585E94.3Very high89.8Confident49 Ų4954.1 Ų54.123%0.22924%0.244CC..EExtended strand (participates in β ladder)trans-126.5133.8173.1-71.8-179.4-179.100109V545 V546 G547 H548 L599 S603V545-E585 HydrophobicContact CG1-CB 3.93Å; V545-E585 HydrophobicContact CG1-CG 3.73Å; V546-E585 PolarHBondContact O-N 3.41Å; G547-E585 CarbonylContact C-O 3.51Å; G547-E585 VanDerWaalsContact CA-O 3.28Å; G547-E585 WeakPolarHBondContact CA-O 3.48Å; H548-E585 PolarHBondContact N-O 2.89Å; E585-L599 HydrophobicContact CB-CD1 4.4Å; E585-S603 PolarHBondContact OE1-OG 3.06Å; E585-S603 VanDerWaalsContact OE2-CA 3.23Å; E585-S603 WeakPolarHBondContact OE2-CA 3.4Å; E585-S603 WeakPolarHBondContact OE2-CB 3.44Å; E585-S603 PolarHBondContact OE2-OG 3.45Å
586I93Very high90Very high24 Ų2454.3 Ų54.312%0.12324%0.244CC..EExtended strand (participates in β ladder)trans-132.5133.1-178.4-53.5-174.7000107.1H548 I550 C564 Q567 R568 W571 V584H548-I586 HydrophobicContact CB-CG1 4.41Å; H548-I586 VanDerWaalsContact O-CA 3.31Å; H548-I586 WeakPolarHBondContact O-CA 3.16Å; I550-I586 HydrophobicContact CD1-CG2 3.63Å; I550-I586 HydrophobicContact CG1-CG2 3.93Å; C564-I586 HydrophobicContact CB-CG2 4.44Å; Q567-I586 VanDerWaalsContact C-CD1 3.48Å; Q567-I586 HydrophobicContact CB-CD1 3.64Å; R568-I586 VanDerWaalsContact CA-CD1 3.46Å; R568-I586 HydrophobicContact CB-CD1 4.06Å; R568-I586 VanDerWaalsContact N-CD1 3.31Å; W571-I586 HydrophobicContact CB-CD1 4.25Å; W571-I586 HydrophobicContact CG-CD1 3.89Å; V584-I586 HydrophobicContact CG1-CD1 4.19Å; V584-I586 HydrophobicContact CG1-CG1 3.98Å
587T91.7Very high90.5Very high32 Ų3248.7 Ų48.720%0.19622%0.222CC..EExtended strand (participates in β ladder)trans-126.3151.917751.70000110.1H548 A549 I550 A595 L599H548-T587 PolarHBondContact O-N 3.44Å; A549-T587 WeakPolarHBondContact CA-O 3.41Å; I550-T587 PolarHBondContact N-O 3.38Å; T587-A595 PolarHBondContact OG1-O 3.42Å; T587-A595 VanDerWaalsContact OG1-O 3.13Å; T587-L599 HydrophobicContact CG2-CB 4.27Å; T587-L599 HydrophobicContact CG2-CD1 3.97Å; T587-L599 HydrophobicContact CG2-CG 4.34Å; T587-L599 WeakPolarHBondContact OG1-CD1 3.4Å
588I89.7Confident90.9Very high32 Ų3250 Ų5016%0.16423%0.23CC..EExtended strand (participates in β ladder)trans-124.3138174.7-172.2164000109.3I550 P554 F557 P563I550-I588 HydrophobicContact CB-CB 4.28Å; I550-I588 HydrophobicContact CB-CD1 4.46Å; I550-I588 HydrophobicContact CB-CG1 4.19Å; I550-I588 HydrophobicContact CG2-CD1 4.09Å; I550-I588 HydrophobicContact CG2-CG1 4.24Å; I550-I588 WeakPolarHBondContact O-CA 3.41Å; P554-I588 HydrophobicContact CG-CG2 4.5Å; F557-I588 HydrophobicContact CD2-CD1 4.25Å; F557-I588 HydrophobicContact CE2-CD1 3.58Å; F557-I588 HydrophobicContact CZ-CD1 4.17Å; P563-I588 HydrophobicContact CG-CD1 3.79Å
589D90.2Very high91.3Very high21 Ų2150.1 Ų50.111%0.11223%0.23CC..EExtended strand (participates in β ladder)trans-156.5165.7173.9-156.5-68.7000109.6I550 C551 G552 S591 R594 A595 H598I550-D589 PolarHBondContact O-N 3.23Å; C551-D589 WeakPolarHBondContact CA-O 3.45Å; G552-D589 PolarHBondContact N-O 2.83Å; G552-D589 CarbonylContact O-C 3.54Å; D589-S591 PolarHBondContact O-N 3.35Å; D589-R594 HydrophobicContact CB-CB 4.29Å; D589-A595 HydrophobicContact CB-CB 3.72Å; D589-H598 IonicContact OD2-CE1 2.85Å; D589-H598 PolarHBondContact OD2-CE1 2.98Å; D589-H598 IonicContact OD2-ND1 2.7Å; D589-H598 PolarHBondContact OD2-ND1 2.97Å
590R88.7Confident91.9Very high141 Ų14147.4 Ų47.453%0.53222%0.219SC..SBendtrans-61.3-24.1176.6-63.7-176.2-177.1175.32.8112.9C551 G552 D553 D555C551-R590 PolarHBondContact SG-O 2.69Å; G552-R590 PolarHBondContact O-N 3.14Å; D553-R590 HydrophobicContact CB-CG 4.33Å; D553-R590 WeakPolarHBondContact OD1-CG 3.49Å; D553-R590 IonicContact OD1-CZ 3.67Å; D553-R590 IonicContact OD1-NE 3.54Å; D553-R590 PolarHBondContact OD1-NE 2.98Å; D553-R590 IonicContact OD1-NH2 3.7Å; D553-R590 IonicContact OD2-CZ 2.91Å; D553-R590 IonicContact OD2-NE 2.98Å; D553-R590 PolarHBondContact OD2-NE 3.4Å; D553-R590 IonicContact OD2-NH2 2.78Å; D555-R590 IonicContact OD2-CZ 3.67Å; D555-R590 IonicContact OD2-NH2 3.66Å; D555-R590 PolarHBondContact OD2-NH2 3.21Å
591S88.9Confident92.2Very high33 Ų3353.3 Ų53.323%0.23124%0.24CC..SBendtrans-135.4140.9171.277.50000112.4D589 R593 R594 A595D589-S591 PolarHBondContact O-N 3.35Å; S591-R593 PolarHBondContact O-N 3.45Å; S591-R594 PolarHBondContact O-N 2.58Å; S591-R594 WeakPolarHBondContact OG-CG 3.41Å; S591-R594 PolarHBondContact OG-N 3.42Å; S591-A595 PolarHBondContact O-N 2.99Å
592V89.9Confident92.3Very high22 Ų2251.4 Ų51.413%0.13324%0.236CC..Hα-helixtrans-56.2-35.5176178.90000111.2A549 C551 R594 A595 I596 G706 L708A549-V592 HydrophobicContact CB-CG1 4.22Å; C551-V592 HydrophobicContact CB-CG2 3.84Å; V592-R594 PolarHBondContact O-N 3.2Å; V592-A595 PolarHBondContact O-N 3.01Å; V592-I596 HydrophobicContact CG1-CD1 3.72Å; V592-I596 HydrophobicContact CG1-CG1 4.25Å; V592-I596 WeakPolarHBondContact O-CB 3.37Å; V592-I596 VanDerWaalsContact O-CG1 3.29Å; V592-I596 WeakPolarHBondContact O-CG1 3.45Å; V592-I596 PolarHBondContact O-N 2.89Å; V592-G706 WeakPolarHBondContact CG2-O 3.39Å; V592-L708 HydrophobicContact CB-CD2 4.24Å; V592-L708 HydrophobicContact CG1-CD1 4.42Å; V592-L708 HydrophobicContact CG1-CD2 4.13Å; V592-L708 HydrophobicContact CG1-CG 4.08Å
593R91.7Very high92.4Very high39 Ų3950.6 Ų50.615%0.14723%0.23CC..Hα-helixtrans-59-44.7176.9174.859.1-174.695-9.3112.6S591 S597 L708 E712 S715 E719S591-R593 PolarHBondContact O-N 3.45Å; R593-S597 WeakPolarHBondContact O-CB 3.49Å; R593-S597 PolarHBondContact O-N 3.5Å; R593-L708 HydrophobicContact CB-CD2 3.86Å; R593-E712 HydrophobicContact CB-CB 4.46Å; R593-E712 HydrophobicContact CB-CG 4.3Å; R593-E712 HydrophobicContact CG-CB 4.32Å; R593-E712 HydrophobicContact CG-CG 4.15Å; R593-S715 PolarHBondContact NE-OG 3.09Å; R593-S715 PolarHBondContact NH2-O 3.14Å; R593-S715 PolarHBondContact NH2-OG 2.96Å; R593-E719 IonicContact CZ-OE2 3.28Å; R593-E719 IonicContact NH1-OE2 3.16Å; R593-E719 PolarHBondContact NH1-OE2 2.88Å; R593-E719 IonicContact NH2-OE2 2.7Å; R593-E719 PolarHBondContact NH2-OE2 3.35Å
594R92Very high92.2Very high149 Ų14945.9 Ų45.956%0.56222%0.216SC*.Hα-helixtrans-72.7-44177.5-73.3179.5179.5-174.71111.2D589 S591 V592 I596 S597 H598D589-R594 HydrophobicContact CB-CB 4.29Å; S591-R594 PolarHBondContact O-N 2.58Å; S591-R594 WeakPolarHBondContact OG-CG 3.41Å; S591-R594 PolarHBondContact OG-N 3.42Å; V592-R594 PolarHBondContact O-N 3.2Å; R594-I596 VanDerWaalsContact C-N 3.32Å; R594-I596 PolarHBondContact O-N 2.88Å; R594-S597 WeakPolarHBondContact O-CA 3.44Å; R594-S597 WeakPolarHBondContact O-CB 3.29Å; R594-S597 PolarHBondContact O-N 3.38Å; R594-H598 PolarHBondContact O-N 3.26Å
595A92Very high92Very high0 Ų051.1 Ų51.10%024%0.243CC..Hα-helixtrans-56.2-43.2176.500000112.8A549 T587 D589 S591 V592 H598 L599A549-A595 HydrophobicContact CB-CB 3.69Å; T587-A595 PolarHBondContact OG1-O 3.42Å; T587-A595 VanDerWaalsContact OG1-O 3.13Å; D589-A595 HydrophobicContact CB-CB 3.72Å; S591-A595 PolarHBondContact O-N 2.99Å; V592-A595 PolarHBondContact O-N 3.01Å; A595-H598 PolarHBondContact O-N 2.86Å; A595-L599 WeakPolarHBondContact O-CB 3.43Å; A595-L599 PolarHBondContact O-N 2.83Å
596I93.8Very high91.6Very high12 Ų1250.9 Ų50.96%0.06225%0.254CS..Hα-helixtrans-65.2-42.4174.9-72.1169.9000111.1L521 A549 V592 R594 H598 L599 I600 L708 I716L521-I596 HydrophobicContact CD1-CG2 3.62Å; L521-I596 HydrophobicContact CD2-CG2 4.49Å; A549-I596 HydrophobicContact CB-CG1 3.96Å; V592-I596 HydrophobicContact CG1-CD1 3.72Å; V592-I596 HydrophobicContact CG1-CG1 4.25Å; V592-I596 WeakPolarHBondContact O-CB 3.37Å; V592-I596 VanDerWaalsContact O-CG1 3.29Å; V592-I596 WeakPolarHBondContact O-CG1 3.45Å; V592-I596 PolarHBondContact O-N 2.89Å; R594-I596 VanDerWaalsContact C-N 3.32Å; R594-I596 PolarHBondContact O-N 2.88Å; I596-H598 VanDerWaalsContact C-N 3.29Å; I596-H598 PolarHBondContact O-N 2.75Å; I596-L599 PolarHBondContact O-N 3.01Å; I596-L599 VanDerWaalsContact O-N 3.12Å; I596-I600 HydrophobicContact CG2-CD1 3.6Å; I596-I600 HydrophobicContact CG2-CG1 4.29Å; I596-I600 WeakPolarHBondContact O-CD1 3.49Å; I596-I600 VanDerWaalsContact O-CG1 3.32Å; I596-I600 WeakPolarHBondContact O-CG1 3.12Å; I596-I600 PolarHBondContact O-N 3.22Å; I596-L708 HydrophobicContact CD1-CD1 3.81Å; I596-I716 HydrophobicContact CB-CD1 4.37Å; I596-I716 HydrophobicContact CD1-CD1 3.94Å; I596-I716 HydrophobicContact CG2-CD1 4.05Å; I596-I716 HydrophobicContact CG2-CG1 4.41Å; I596-I716 HydrophobicContact CG2-CG2 3.93Å
597S93.9Very high91.2Very high13 Ų1350.9 Ų50.99%0.09126%0.257CS..Hα-helixtrans-59.4-40.4177.5-158.40000112.1R593 R594 R601 E719R593-S597 WeakPolarHBondContact O-CB 3.49Å; R593-S597 PolarHBondContact O-N 3.5Å; R594-S597 WeakPolarHBondContact O-CA 3.44Å; R594-S597 WeakPolarHBondContact O-CB 3.29Å; R594-S597 PolarHBondContact O-N 3.38Å; S597-R601 PolarHBondContact O-N 3.48Å; S597-R601 PolarHBondContact O-NH1 3.18Å; S597-R601 PolarHBondContact OG-NH1 3.25Å; S597-E719 PolarHBondContact OG-OE1 2.85Å; S597-E719 PolarHBondContact OG-OE2 3.09Å
598H93.1Very high91.1Very high82 Ų8252.9 Ų52.938%0.3827%0.265SS..Hα-helixtrans-64.6-45.9172.1-66.9163.3000111.4D589 R594 A595 I596 I600 R601 I602D589-H598 IonicContact OD2-CE1 2.85Å; D589-H598 PolarHBondContact OD2-CE1 2.98Å; D589-H598 IonicContact OD2-ND1 2.7Å; D589-H598 PolarHBondContact OD2-ND1 2.97Å; R594-H598 PolarHBondContact O-N 3.26Å; A595-H598 PolarHBondContact O-N 2.86Å; I596-H598 VanDerWaalsContact C-N 3.29Å; I596-H598 PolarHBondContact O-N 2.75Å; H598-I600 VanDerWaalsContact C-N 3.34Å; H598-I600 PolarHBondContact O-N 3.01Å; H598-R601 PolarHBondContact O-N 3.23Å; H598-I602 HydrophobicContact CB-CD1 4.28Å; H598-I602 VanDerWaalsContact O-CB 3.32Å; H598-I602 WeakPolarHBondContact O-CB 3.45Å; H598-I602 WeakPolarHBondContact O-CG1 3.33Å; H598-I602 PolarHBondContact O-N 3.07Å
599L93.7Very high91.1Very high2 Ų258.5 Ų58.51%0.0129%0.285CS..Hα-helixtrans-64.3-38.8-177.2-156.4142000111.9L519 L521 E585 T587 A595 I596 S603L519-L599 HydrophobicContact CD1-CD2 3.27Å; L519-L599 HydrophobicContact CD2-CD2 3.65Å; L519-L599 HydrophobicContact CG-CD2 3.99Å; L521-L599 HydrophobicContact CD2-CD2 3.61Å; E585-L599 HydrophobicContact CB-CD1 4.4Å; T587-L599 HydrophobicContact CG2-CB 4.27Å; T587-L599 HydrophobicContact CG2-CD1 3.97Å; T587-L599 HydrophobicContact CG2-CG 4.34Å; T587-L599 WeakPolarHBondContact OG1-CD1 3.4Å; A595-L599 WeakPolarHBondContact O-CB 3.43Å; A595-L599 PolarHBondContact O-N 2.83Å; I596-L599 PolarHBondContact O-N 3.01Å; I596-L599 VanDerWaalsContact O-N 3.12Å; L599-S603 WeakPolarHBondContact O-CB 3.29Å; L599-S603 PolarHBondContact O-N 3.39Å; L599-S603 VanDerWaalsContact O-N 3.13Å
600I94.6Very high91.3Very high16 Ų1658.4 Ų58.48%0.08229%0.285CS..Hα-helixtrans-64-42.1175.5-65.1157.6000111.8L519 L521 I596 H598 V613 I716 I720 M723L519-I600 HydrophobicContact CD2-CG1 4.11Å; L521-I600 HydrophobicContact CD1-CD1 4.41Å; L521-I600 HydrophobicContact CD1-CG1 4.39Å; I596-I600 HydrophobicContact CG2-CD1 3.6Å; I596-I600 HydrophobicContact CG2-CG1 4.29Å; I596-I600 WeakPolarHBondContact O-CD1 3.49Å; I596-I600 VanDerWaalsContact O-CG1 3.32Å; I596-I600 WeakPolarHBondContact O-CG1 3.12Å; I596-I600 PolarHBondContact O-N 3.22Å; H598-I600 VanDerWaalsContact C-N 3.34Å; H598-I600 PolarHBondContact O-N 3.01Å; I600-V613 HydrophobicContact CG1-CG1 4.27Å; I600-V613 HydrophobicContact CG1-CG2 4.37Å; I600-V613 HydrophobicContact CG2-CG2 4.16Å; I600-I716 HydrophobicContact CD1-CG2 4.02Å; I600-I720 HydrophobicContact CD1-CD1 3.92Å; I600-I720 HydrophobicContact CD1-CG1 3.64Å; I600-I720 HydrophobicContact CG1-CG1 4.45Å; I600-I720 HydrophobicContact CG2-CG1 4.4Å; I600-M723 HydrophobicContact CG2-SD 3.59Å; I600-M723 VanDerWaalsContact CG2-SD 3.59Å
601R92.5Very high91.5Very high134 Ų13453.2 Ų53.251%0.50627%0.268SS..Hα-helixtrans-76.3-36.6-177-74.4-174177.277.1-0.7114S597 H598 E719 M723S597-R601 PolarHBondContact O-N 3.48Å; S597-R601 PolarHBondContact O-NH1 3.18Å; S597-R601 PolarHBondContact OG-NH1 3.25Å; H598-R601 PolarHBondContact O-N 3.23Å; R601-E719 IonicContact CZ-OE1 2.62Å; R601-E719 IonicContact NH1-OE1 2.67Å; R601-E719 PolarHBondContact NH1-OE1 3.22Å; R601-E719 IonicContact NH2-OE1 3.58Å; R601-E719 PolarHBondContact NH2-OE1 3.41Å; R601-M723 HydrophobicContact CG-CE 3.45Å; R601-M723 VanDerWaalsContact CG-CE 3.45Å; R601-M723 HydrophobicContact CG-SD 4.21Å; R601-M723 VanDerWaalsContact NH1-CE 3.3Å
602I93.4Very high91.8Very high125 Ų12551.7 Ų51.764%0.64126%0.257SS*.Hα-helixtrans-94.9-23.3-168.1-61.4172.5000111.5H598 G604H598-I602 HydrophobicContact CB-CD1 4.28Å; H598-I602 VanDerWaalsContact O-CB 3.32Å; H598-I602 WeakPolarHBondContact O-CB 3.45Å; H598-I602 WeakPolarHBondContact O-CG1 3.33Å; H598-I602 PolarHBondContact O-N 3.07Å; I602-G604 PolarHBondContact O-N 3.03Å
603S94.3Very high92.1Very high2 Ų250.7 Ų50.71%0.01425%0.251CS..  trans-58.3135-176.6-170.10000113.3E585 L599 P610E585-S603 PolarHBondContact OE1-OG 3.06Å; E585-S603 VanDerWaalsContact OE2-CA 3.23Å; E585-S603 WeakPolarHBondContact OE2-CA 3.4Å; E585-S603 WeakPolarHBondContact OE2-CB 3.44Å; E585-S603 PolarHBondContact OE2-OG 3.45Å; L599-S603 WeakPolarHBondContact O-CB 3.29Å; L599-S603 PolarHBondContact O-N 3.39Å; L599-S603 VanDerWaalsContact O-N 3.13Å; S603-P610 WeakPolarHBondContact O-CD 3.44Å; S603-P610 WeakPolarHBondContact OG-CG 3.38Å
604G90.5Very high92.4Very high24 Ų2448.9 Ų48.925%0.24724%0.244CC..SBendtrans95.2178.4-179.100000115.1I602 M608I602-G604 PolarHBondContact O-N 3.03Å; G604-M608 CarbonylContact C-O 3.44Å; G604-M608 WeakPolarHBondContact CA-O 3.48Å
605L89.4Confident92.5Very high121 Ų12142.1 Ų42.163%0.63422%0.219SC*.BIsolated β-bridgetrans-148.2127.5-175.6-172.566.9000111.4L501 A607 M608L501-L605 HydrophobicContact CD2-CB 4.16Å; L501-L605 HydrophobicContact CD2-CD2 3.45Å; L501-L605 VanDerWaalsContact CD2-CD2 3.45Å; L501-L605 HydrophobicContact CD2-CG 3.62Å; L605-A607 PolarHBondContact O-N 3.25Å; L605-M608 PolarHBondContact N-O 3.1Å; L605-M608 WeakPolarHBondContact O-CB 3.48Å; L605-M608 PolarHBondContact O-N 2.88Å
606G85.7Confident92.5Very high45 Ų4543.7 Ų43.746%0.46424%0.236SC..THydrogen-bonded Turntrans59.4-131.6-177.100000111.8M608G606-M608 VanDerWaalsContact C-N 3.26Å; G606-M608 PolarHBondContact O-N 3.17Å
607A86.2Confident92.3Very high24 Ų2444.1 Ų44.120%0.19824%0.237CC..THydrogen-bonded Turntrans-75.5-9.417500000114.1L504 A506 L605 R609L504-A607 HydrophobicContact CB-CB 4.3Å; L504-A607 HydrophobicContact CD2-CB 3.83Å; L504-A607 HydrophobicContact CG-CB 3.75Å; L504-A607 WeakPolarHBondContact O-CB 3.32Å; A506-A607 HydrophobicContact CB-CB 3.98Å; L605-A607 PolarHBondContact O-N 3.25Å; A607-R609 PolarHBondContact O-N 3.4Å
608M89.1Confident92.1Very high74 Ų7446.1 Ų46.137%0.36524%0.243SC..BIsolated β-bridgetrans-9079.3175.7-71.5-174.25300110.4L501 L504 L543 G604 L605 G606L501-M608 HydrophobicContact CD1-CB 4.21Å; L501-M608 HydrophobicContact CD1-CG 3.79Å; L501-M608 HydrophobicContact CD1-SD 3.82Å; L504-M608 HydrophobicContact CD2-CG 3.92Å; L543-M608 HydrophobicContact CD1-CE 3.98Å; L543-M608 HydrophobicContact CD2-CB 4.48Å; G604-M608 CarbonylContact C-O 3.44Å; G604-M608 WeakPolarHBondContact CA-O 3.48Å; L605-M608 PolarHBondContact N-O 3.1Å; L605-M608 WeakPolarHBondContact O-CB 3.48Å; L605-M608 PolarHBondContact O-N 2.88Å; G606-M608 VanDerWaalsContact C-N 3.26Å; G606-M608 PolarHBondContact O-N 3.17Å
609R90.1Very high91.6Very high150 Ų15044.2 Ų44.257%0.56624%0.236SC*.  trans-122.5144.3177.8-74.4-178.7171.8167.4-1.5111.9Q517 A607 N611Q517-R609 WeakPolarHBondContact CB-O 3.19Å; Q517-R609 PolarHBondContact OE1-O 2.83Å; A607-R609 PolarHBondContact O-N 3.4Å; R609-N611 PolarHBondContact O-N 3.23Å
610P94.1Very high90.9Very high18 Ų1850.6 Ų50.612%0.11727%0.27CS..  trans-54.6128.1172.7-23.934.9000111.7Q517 L519 L543 V545 S603Q517-P610 CarbonylContact O-C 3.08Å; Q517-P610 WeakPolarHBondContact O-CA 3.23Å; L519-P610 HydrophobicContact CB-CB 3.64Å; L519-P610 HydrophobicContact CB-CG 3.83Å; L543-P610 HydrophobicContact CD2-CG 4.48Å; V545-P610 HydrophobicContact CG2-CG 4.42Å; S603-P610 WeakPolarHBondContact O-CD 3.44Å; S603-P610 WeakPolarHBondContact OG-CG 3.38Å
611N92.3Very high90.2Very high32 Ų3253.5 Ų53.517%0.17128%0.282CS..SBendtrans-106.2-5.8172.763.84.5000112.2W514 R515 Q517 R609 N726W514-N611 PolarHBondContact NE1-ND2 2.8Å; R515-N611 PolarHBondContact O-ND2 2.79Å; Q517-N611 WeakPolarHBondContact CA-OD1 3.18Å; Q517-N611 HydrophobicContact CB-CB 4.48Å; Q517-N611 PolarHBondContact N-OD1 2.79Å; Q517-N611 PolarHBondContact O-N 3.42Å; Q517-N611 PolarHBondContact O-OD1 3.35Å; Q517-N611 VanDerWaalsContact O-OD1 3.08Å; R609-N611 PolarHBondContact O-N 3.23Å; N611-N726 PolarHBondContact O-N 2.98Å; N611-N726 PolarHBondContact O-ND2 2.86Å; N611-N726 VanDerWaalsContact O-ND2 3.09Å
612T95.4Very high89.5Confident1 Ų152.4 Ų52.41%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-137.7126.3177.6-59.40000109.3L516 Q517 L518 L519 N726 V728 F839L516-T612 HydrophobicContact CD1-CG2 4.05Å; L516-T612 WeakPolarHBondContact CD1-OG1 3.45Å; Q517-T612 PolarHBondContact O-N 3.11Å; L518-T612 CarbonylContact C-O 3.59Å; L518-T612 WeakPolarHBondContact CA-O 3.47Å; L518-T612 HydrophobicContact CD1-CG2 4.06Å; L519-T612 PolarHBondContact N-O 2.82Å; T612-N726 CarbonylContact C-O 3.59Å; T612-N726 VanDerWaalsContact CA-O 3.28Å; T612-N726 WeakPolarHBondContact CA-O 3.41Å; T612-N726 HydrophobicContact CG2-CB 4.18Å; T612-N726 PolarHBondContact OG1-ND2 3.45Å; T612-V728 HydrophobicContact CG2-CG2 3.63Å; T612-F839 HydrophobicContact CG2-CZ 4.04Å
613V96.8Very high88.7Confident2 Ų249.6 Ų49.61%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-106.1127.9175-176.10000108.9L519 L521 I600 I720 N726 V727 V728L519-V613 HydrophobicContact CD2-CG1 4.39Å; L519-V613 HydrophobicContact CD2-CG2 4.3Å; L519-V613 CarbonylContact O-C 3.56Å; L519-V613 WeakPolarHBondContact O-CA 3.44Å; L521-V613 HydrophobicContact CD1-CG1 3.71Å; L521-V613 HydrophobicContact CG-CG1 4.26Å; I600-V613 HydrophobicContact CG1-CG1 4.27Å; I600-V613 HydrophobicContact CG1-CG2 4.37Å; I600-V613 HydrophobicContact CG2-CG2 4.16Å; V613-I720 HydrophobicContact CB-CD1 3.97Å; V613-I720 HydrophobicContact CB-CG1 4.42Å; V613-I720 HydrophobicContact CB-CG2 3.99Å; V613-I720 HydrophobicContact CG1-CD1 3.73Å; V613-I720 HydrophobicContact CG1-CG1 4.47Å; V613-I720 HydrophobicContact CG2-CD1 4.48Å; V613-I720 HydrophobicContact CG2-CG1 4.43Å; V613-I720 HydrophobicContact CG2-CG2 3.91Å; V613-N726 PolarHBondContact N-O 2.81Å; V613-V727 CarbonylContact O-C 3.53Å; V613-V728 PolarHBondContact O-N 3.26Å
614C96.5Very high88.1Confident0 Ų051.4 Ų51.40%029%0.294CS..EExtended strand (participates in β ladder)trans-109.7127.9175.3-176.40000110.8L518 L519 L520 L521 M535 V728L518-C614 HydrophobicContact CD1-CB 3.79Å; L519-C614 PolarHBondContact O-N 2.84Å; L520-C614 HydrophobicContact CD1-CB 3.78Å; L521-C614 PolarHBondContact N-O 2.74Å; M535-C614 HydrophobicContact CE-CB 3.61Å; M535-C614 VanDerWaalsContact CE-SG 3.55Å; C614-V728 CarbonylContact C-O 3.56Å; C614-V728 WeakPolarHBondContact CA-O 3.47Å; C614-V728 HydrophobicContact CB-CB 4.16Å
615L94.6Very high87.6Confident7 Ų751.5 Ų51.54%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-111.7144.5176.4-68.1159.8000109.5L521 Y713 I716 I717 I720 V728 L729 A730L521-L615 HydrophobicContact CB-CD2 4.06Å; L521-L615 HydrophobicContact CD1-CD2 3.34Å; L521-L615 HydrophobicContact CD1-CG 4.22Å; L521-L615 HydrophobicContact CG-CD2 4.29Å; L615-Y713 HydrophobicContact CB-CE2 4.3Å; L615-Y713 HydrophobicContact CD1-CE2 4.44Å; L615-I716 HydrophobicContact CD1-CG2 4.26Å; L615-I716 HydrophobicContact CD2-CG2 4.45Å; L615-I717 HydrophobicContact CD1-CG1 3.92Å; L615-I720 HydrophobicContact CD1-CD1 4.01Å; L615-V728 PolarHBondContact N-O 3.48Å; L615-L729 HydrophobicContact CB-CD2 3.87Å; L615-L729 HydrophobicContact CD1-CD2 3.9Å; L615-L729 HydrophobicContact CG-CD2 4.47Å; L615-L729 CarbonylContact O-C 3.53Å; L615-L729 WeakPolarHBondContact O-CA 2.98Å; L615-A730 PolarHBondContact O-N 3.33Å
616G91.6Very high87.3Confident34 Ų3445.8 Ų45.835%0.35126%0.259SS..EExtended strand (participates in β ladder)trans-67.5143.6162.200000110.2Y713G616-Y713 PolarHBondContact O-OH 2.92Å
617F91Very high87.2Confident21 Ų2143.8 Ų43.89%0.09224%0.238CC..  trans-61142.1179.3-167.1-93.6000111.9D619 A730 R731 L974 N975 L986F617-D619 HydrophobicContact CD1-CB 4.15Å; F617-D619 PolarHBondContact O-N 3.23Å; F617-A730 WeakPolarHBondContact CB-O 3.45Å; F617-A730 PolarHBondContact N-O 3.46Å; F617-R731 HydrophobicContact CB-CB 3.69Å; F617-R731 HydrophobicContact CB-CG 3.69Å; F617-R731 VanDerWaalsContact CD1-CD 3.49Å; F617-R731 HydrophobicContact CD1-CG 3.83Å; F617-R731 HydrophobicContact CD2-CB 4.05Å; F617-R731 HydrophobicContact CD2-CG 4.15Å; F617-R731 HydrophobicContact CG-CB 3.86Å; F617-R731 HydrophobicContact CG-CG 3.62Å; F617-L974 HydrophobicContact CE2-CB 4.01Å; F617-L974 HydrophobicContact CZ-CB 4.06Å; F617-N975 HydrophobicContact CE1-CB 4.31Å; F617-N975 HydrophobicContact CZ-CB 4.25Å; F617-L986 HydrophobicContact CD2-CD1 4.36Å; F617-L986 HydrophobicContact CE2-CD1 4.09Å
618Y89.1Confident86.9Confident55 Ų5544.1 Ų44.122%0.21624%0.241CC..  trans-80.1104.2176.7-173.8-89.3000110.1L708 Y713 L971Y618-L708 VanDerWaalsContact CE2-O 3.32Å; Y618-L708 WeakPolarHBondContact CE2-O 3.39Å; Y618-Y713 HydrophobicContact CD2-CD2 4.16Å; Y618-Y713 HydrophobicContact CD2-CG 4.05Å; Y618-Y713 HydrophobicContact CG-CD1 4.49Å; Y618-Y713 HydrophobicContact CG-CG 4.37Å; Y618-L971 HydrophobicContact CD1-CD1 3.72Å; Y618-L971 HydrophobicContact CE1-CD1 4.24Å; Y618-L971 HydrophobicContact CG-CD1 4.05Å
619D83Confident86.5Confident41 Ų4143.7 Ų43.722%0.21924%0.235CC..  trans-140.6162.8172.163.919.9000112.8F617 K621 R707F617-D619 HydrophobicContact CD1-CB 4.15Å; F617-D619 PolarHBondContact O-N 3.23Å; D619-K621 VanDerWaalsContact C-N 3.31Å; D619-R707 PolarHBondContact O-NH1 2.73Å; D619-R707 PolarHBondContact O-NH2 2.94Å
620D79.5Confident85.9Confident136 Ų13636.7 Ų36.773%0.72721%0.209SC*.  trans-94.819.1178.8-59.7-42.3000112.2R707D620-R707 IonicContact OD1-CZ 3.72Å; D620-R707 IonicContact OD1-NH2 3.58Å; D620-R707 PolarHBondContact OD1-NH2 3.17Å
621K79.1Confident85Confident77 Ų7738.6 Ų38.634%0.33521%0.214SC..PPolyproline II helixtrans-75.3144.6-179.1-71.5178.3-175.7157.80110.9D619D619-K621 VanDerWaalsContact C-N 3.31Å
622P77.3Confident84.1Confident112 Ų11243.9 Ų43.973%0.72724%0.235SC*.PPolyproline II helixtrans-64.2140.7173.728-34000110.6V624P622-V624 PolarHBondContact O-N 2.92Å
623S76.5Confident83Confident65 Ų6546.9 Ų46.946%0.45525%0.249SC..PPolyproline II helixtrans-71.5122-179.2630000111.3
624V81.8Confident81.7Confident40 Ų4049.7 Ų49.724%0.24226%0.259CS..PPolyproline II helixtrans-87.3132.2175.5179.20000110.3S527 P622 I626S527-V624 WeakPolarHBondContact CA-O 3.47Å; S527-V624 WeakPolarHBondContact CB-O 3.46Å; P622-V624 PolarHBondContact O-N 2.92Å; V624-I626 PolarHBondContact O-N 3.4Å; V624-I626 VanDerWaalsContact O-N 3.12Å
625D80.6Confident80.1Confident27 Ų2754.7 Ų54.714%0.14428%0.281CS..  trans-80.892.8175.4-179.920.9000112.4R526 L627 A628R526-D625 WeakPolarHBondContact CB-OD1 3.31Å; R526-D625 IonicContact CZ-OD2 3.59Å; R526-D625 VanDerWaalsContact NE-CG 3.26Å; R526-D625 IonicContact NE-OD1 2.77Å; R526-D625 PolarHBondContact NE-OD1 3.49Å; R526-D625 IonicContact NE-OD2 2.94Å; R526-D625 PolarHBondContact NE-OD2 2.91Å; R526-D625 VanDerWaalsContact NE-OD2 3.16Å; R526-D625 IonicContact NH2-OD2 3.62Å; R526-D625 PolarHBondContact NH2-OD2 3.13Å; D625-L627 PolarHBondContact OD1-N 2.91Å; D625-L627 VanDerWaalsContact OD1-N 3.13Å; D625-A628 PolarHBondContact OD1-N 2.8Å; D625-A628 WeakPolarHBondContact OD2-CB 3.38Å
626I83.8Confident78.2Confident0 Ų058.3 Ų58.30%030%0.303CS..Hα-helixtrans-77.9-30.9177.7-51.6163.3000111.1R526 S527 S530 V624 A628 R629 I630 D734 I737R526-I626 PolarHBondContact O-N 3.4Å; S527-I626 WeakPolarHBondContact O-CD1 3.37Å; S530-I626 WeakPolarHBondContact OG-CG2 3.34Å; V624-I626 PolarHBondContact O-N 3.4Å; V624-I626 VanDerWaalsContact O-N 3.12Å; I626-A628 PolarHBondContact O-N 2.69Å; I626-R629 WeakPolarHBondContact O-CB 3.33Å; I626-R629 PolarHBondContact O-N 2.81Å; I626-R629 VanDerWaalsContact O-N 3.11Å; I626-I630 HydrophobicContact CG2-CD1 3.85Å; I626-I630 HydrophobicContact CG2-CG1 4.1Å; I626-I630 WeakPolarHBondContact O-CG1 3.36Å; I626-I630 PolarHBondContact O-N 3.25Å; I626-D734 VanDerWaalsContact CD1-CA 3.44Å; I626-D734 HydrophobicContact CD1-CB 4Å; I626-I737 HydrophobicContact CG2-CG1 4.17Å
627L83.1Confident76.3Confident4 Ų460.5 Ų60.52%0.02130%0.303CS..Hα-helixtrans-63.2-43.9-175.2-177.263.6000111.6R526 A529 Y574 Y577 L578 D625 R629 I630 W631 L674R526-L627 HydrophobicContact CB-CB 4.39Å; R526-L627 HydrophobicContact CG-CB 4.49Å; R526-L627 HydrophobicContact CG-CD2 4.25Å; R526-L627 PolarHBondContact O-N 3.2Å; R526-L627 VanDerWaalsContact O-N 3.14Å; A529-L627 HydrophobicContact CB-CB 4.2Å; A529-L627 HydrophobicContact CB-CD1 4.16Å; Y574-L627 HydrophobicContact CD2-CD1 4.36Å; Y574-L627 HydrophobicContact CD2-CD2 4.12Å; Y574-L627 HydrophobicContact CE2-CD1 4.02Å; Y574-L627 HydrophobicContact CE2-CD2 4.09Å; Y577-L627 HydrophobicContact CD1-CD1 4.13Å; Y577-L627 HydrophobicContact CE1-CD1 3.87Å; L578-L627 HydrophobicContact CD2-CD1 3.99Å; D625-L627 PolarHBondContact OD1-N 2.91Å; D625-L627 VanDerWaalsContact OD1-N 3.13Å; L627-R629 VanDerWaalsContact C-N 3.28Å; L627-R629 PolarHBondContact O-N 2.7Å; L627-I630 PolarHBondContact O-N 2.75Å; L627-W631 WeakPolarHBondContact O-CB 3.45Å; L627-W631 PolarHBondContact O-N 2.66Å; L627-L674 HydrophobicContact CD2-CD2 4.1Å; L627-L674 HydrophobicContact CG-CD2 4.05Å
628A79.5Confident74.1Confident30 Ų3063 Ų6325%0.24832%0.32CS..Hα-helixtrans-63.2-35.6174.100000112.2D625 I626 W631 K632D625-A628 PolarHBondContact OD1-N 2.8Å; D625-A628 WeakPolarHBondContact OD2-CB 3.38Å; I626-A628 PolarHBondContact O-N 2.69Å; A628-W631 WeakPolarHBondContact O-CB 3.42Å; A628-W631 PolarHBondContact O-N 3.36Å; A628-K632 PolarHBondContact O-N 3.34Å
629R81Confident71.4Confident66 Ų6667.7 Ų67.725%0.24934%0.342CS..Hα-helixtrans-66.2-47175.7-66.8178.3171.5170.6-5.3111.4I626 L627 W631 K632 E633 I737 E787I626-R629 WeakPolarHBondContact O-CB 3.33Å; I626-R629 PolarHBondContact O-N 2.81Å; I626-R629 VanDerWaalsContact O-N 3.11Å; L627-R629 VanDerWaalsContact C-N 3.28Å; L627-R629 PolarHBondContact O-N 2.7Å; R629-W631 PolarHBondContact O-N 2.74Å; R629-K632 PolarHBondContact O-N 3.28Å; R629-E633 WeakPolarHBondContact O-CG 3.29Å; R629-E633 PolarHBondContact O-N 3.07Å; R629-I737 HydrophobicContact CB-CD1 3.89Å; R629-E787 IonicContact NH2-OE2 3.76Å
630I78.4Confident68.9Low3 Ų370.1 Ų70.12%0.01536%0.362CS..Hα-helixtrans-56-40.3172.3-70.6167.5000111A529 I626 L627 R634 I737A529-I630 HydrophobicContact CB-CD1 3.66Å; I626-I630 HydrophobicContact CG2-CD1 3.85Å; I626-I630 HydrophobicContact CG2-CG1 4.1Å; I626-I630 WeakPolarHBondContact O-CG1 3.36Å; I626-I630 PolarHBondContact O-N 3.25Å; L627-I630 PolarHBondContact O-N 2.75Å; I630-R634 WeakPolarHBondContact O-CG 3.4Å; I630-R634 PolarHBondContact O-N 3.27Å; I630-R634 VanDerWaalsContact O-N 3.08Å; I630-I737 HydrophobicContact CG1-CG2 4Å
631W74.7Confident66.4Low58 Ų5868 Ų6822%0.2236%0.358CS..Hα-helixtrans-65.9-45.8177.817987.2000112.8Y577 L627 A628 R629 E633 R634 K635 S670 L674Y577-W631 WeakPolarHBondContact OH-CA 2.95Å; Y577-W631 WeakPolarHBondContact OH-CB 3.36Å; Y577-W631 VanDerWaalsContact OH-CD1 3.31Å; L627-W631 WeakPolarHBondContact O-CB 3.45Å; L627-W631 PolarHBondContact O-N 2.66Å; A628-W631 WeakPolarHBondContact O-CB 3.42Å; A628-W631 PolarHBondContact O-N 3.36Å; R629-W631 PolarHBondContact O-N 2.74Å; W631-E633 VanDerWaalsContact C-N 3.32Å; W631-E633 PolarHBondContact O-N 3.35Å; W631-R634 PolarHBondContact O-N 3.31Å; W631-K635 HydrophobicContact CD2-CD 4.23Å; W631-K635 HydrophobicContact CE3-CD 4.32Å; W631-K635 HydrophobicContact CH2-CD 3.9Å; W631-K635 HydrophobicContact CZ2-CD 3.77Å; W631-K635 HydrophobicContact CZ3-CD 4.14Å; W631-K635 PolarHBondContact O-N 3.32Å; W631-S670 PolarHBondContact NE1-OG 3.43Å; W631-L674 HydrophobicContact CB-CD1 4.45Å; W631-L674 HydrophobicContact CD2-CD1 3.86Å; W631-L674 HydrophobicContact CE3-CD1 4.22Å; W631-L674 HydrophobicContact CG-CD1 4Å; W631-L674 HydrophobicContact CZ2-CD1 4.39Å
632K73.4Confident63.6Low143 Ų14371.1 Ų71.162%0.62237%0.368SS*.Hα-helixtrans-56.4-46.8175.5-170.5177.3-179.3178.40110.9A628 R629 R634 K635 V636A628-K632 PolarHBondContact O-N 3.34Å; R629-K632 PolarHBondContact O-N 3.28Å; K632-R634 PolarHBondContact O-N 3.21Å; K632-K635 PolarHBondContact O-N 3.18Å; K632-V636 WeakPolarHBondContact O-CG2 3.38Å; K632-V636 PolarHBondContact O-N 3.42Å
633E71Confident61.1Low64 Ų6471.5 Ų71.530%0.29937%0.37SS..Hα-helixtrans-60-45.2177.7-74.3-57.4137.800113.2R629 W631 K635 V636 K637 I792R629-E633 WeakPolarHBondContact O-CG 3.29Å; R629-E633 PolarHBondContact O-N 3.07Å; W631-E633 VanDerWaalsContact C-N 3.32Å; W631-E633 PolarHBondContact O-N 3.35Å; E633-K635 VanDerWaalsContact C-N 3.32Å; E633-K635 PolarHBondContact O-N 3.1Å; E633-V636 PolarHBondContact O-N 3.28Å; E633-K637 PolarHBondContact O-N 3.43Å; E633-I792 HydrophobicContact CG-CD1 4.15Å
634R70.1Confident58.5Low61 Ų6175.6 Ų75.623%0.2339%0.387CS..Hα-helixtrans-64.5-35.7178.2-74.4175.6174.4-171.2-3.1112.1Y577 I630 W631 K632 T638Y577-R634 PolarHBondContact O-NH1 3.18Å; I630-R634 WeakPolarHBondContact O-CG 3.4Å; I630-R634 PolarHBondContact O-N 3.27Å; I630-R634 VanDerWaalsContact O-N 3.08Å; W631-R634 PolarHBondContact O-N 3.31Å; K632-R634 PolarHBondContact O-N 3.21Å; R634-T638 WeakPolarHBondContact O-CG2 3.27Å; R634-T638 PolarHBondContact O-N 3.33Å; R634-T638 PolarHBondContact O-OG1 3.16Å
635K63.9Low55.5Low105 Ų10581.9 Ų81.946%0.45741%0.413SS..Hα-helixtrans-67.8-46.9175.7-86.7-170.5165.6-173.50112.6W631 K632 E633 K637 T638 F639W631-K635 HydrophobicContact CD2-CD 4.23Å; W631-K635 HydrophobicContact CE3-CD 4.32Å; W631-K635 HydrophobicContact CH2-CD 3.9Å; W631-K635 HydrophobicContact CZ2-CD 3.77Å; W631-K635 HydrophobicContact CZ3-CD 4.14Å; W631-K635 PolarHBondContact O-N 3.32Å; K632-K635 PolarHBondContact O-N 3.18Å; E633-K635 VanDerWaalsContact C-N 3.32Å; E633-K635 PolarHBondContact O-N 3.1Å; K635-K637 VanDerWaalsContact C-N 3.29Å; K635-K637 PolarHBondContact O-N 3.02Å; K635-T638 WeakPolarHBondContact CA-OG1 3.41Å; K635-T638 PolarHBondContact O-N 3.3Å; K635-T638 VanDerWaalsContact O-N 3.09Å; K635-T638 PolarHBondContact O-OG1 3.41Å; K635-F639 PolarHBondContact O-N 2.68Å; K635-F639 VanDerWaalsContact O-N 3.1Å
636V54.8Low52.7Low82 Ų8288.9 Ų88.950%0.49745%0.449SS..Hα-helixtrans-57.1-43.5-179.7172.50000110.9K632 E633 T638 F639 S640K632-V636 WeakPolarHBondContact O-CG2 3.38Å; K632-V636 PolarHBondContact O-N 3.42Å; E633-V636 PolarHBondContact O-N 3.28Å; V636-T638 PolarHBondContact O-N 3.05Å; V636-F639 PolarHBondContact O-N 3.09Å; V636-S640 PolarHBondContact O-N 3.47Å; V636-S640 PolarHBondContact O-OG 3.32Å
637K50.6Low49.7Very low81 Ų8196.9 Ų96.935%0.35249%0.486SS..Hα-helixtrans-66-34.3176.9-70179.5-173.6172.10114.1E633 K635 F639 S640 S641 D739E633-K637 PolarHBondContact O-N 3.43Å; K635-K637 VanDerWaalsContact C-N 3.29Å; K635-K637 PolarHBondContact O-N 3.02Å; K637-F639 VanDerWaalsContact C-N 3.29Å; K637-S640 PolarHBondContact O-OG 2.83Å; K637-S641 PolarHBondContact O-N 3.45Å; K637-S641 PolarHBondContact O-OG 3.05Å; K637-D739 IonicContact NZ-OD1 3.57Å; K637-D739 PolarHBondContact NZ-OD1 2.96Å; K637-D739 IonicContact NZ-OD2 3.92Å; K637-D739 PolarHBondContact NZ-OD2 3.05Å
638T45.7Very low46.6Very low74 Ų74101.1 Ų101.145%0.45452%0.516SS..Hα-helixtrans-67.5-33174.453.50000112.1R634 K635 V636 S641R634-T638 WeakPolarHBondContact O-CG2 3.27Å; R634-T638 PolarHBondContact O-N 3.33Å; R634-T638 PolarHBondContact O-OG1 3.16Å; K635-T638 WeakPolarHBondContact CA-OG1 3.41Å; K635-T638 PolarHBondContact O-N 3.3Å; K635-T638 VanDerWaalsContact O-N 3.09Å; K635-T638 PolarHBondContact O-OG1 3.41Å; V636-T638 PolarHBondContact O-N 3.05Å; T638-S641 PolarHBondContact O-OG 3.32Å
639F32.3Very low43.8Very low153 Ų153110.8 Ų110.867%0.67155%0.547SS*.Hα-helixtrans-80.9-38.6179.5-148.4-91.8000112.7K635 V636 K637 S641 W642K635-F639 PolarHBondContact O-N 2.68Å; K635-F639 VanDerWaalsContact O-N 3.1Å; V636-F639 PolarHBondContact O-N 3.09Å; K637-F639 VanDerWaalsContact C-N 3.29Å; F639-S641 VanDerWaalsContact C-N 3.26Å; F639-S641 PolarHBondContact O-N 3.42Å; F639-W642 WeakPolarHBondContact O-CB 3.41Å; F639-W642 PolarHBondContact O-N 3.23Å; F639-W642 VanDerWaalsContact O-N 3.16Å
640S29.1Very low40.9Very low92 Ų92112.4 Ų112.464%0.64357%0.569SS**Hα-helixtrans-69.9-19.9178.366.50000114.2V636 K637 W642V636-S640 PolarHBondContact O-N 3.47Å; V636-S640 PolarHBondContact O-OG 3.32Å; K637-S640 PolarHBondContact O-OG 2.83Å; S640-W642 PolarHBondContact O-N 2.58Å
641S28.2Very low38.2Very low90 Ų90117 Ų11763%0.62960%0.601SS**THydrogen-bonded Turntrans-77.25172.168.60000114.3K637 T638 F639K637-S641 PolarHBondContact O-N 3.45Å; K637-S641 PolarHBondContact O-OG 3.05Å; T638-S641 PolarHBondContact O-OG 3.32Å; F639-S641 VanDerWaalsContact C-N 3.26Å; F639-S641 PolarHBondContact O-N 3.42Å
642W20.4Very low35.6Very low144 Ų144119.7 Ų119.755%0.54563%0.625SS.*SBendtrans-105.1123.4178.2-120.729.5000110.5F639 S640 N644F639-W642 WeakPolarHBondContact O-CB 3.41Å; F639-W642 PolarHBondContact O-N 3.23Å; F639-W642 VanDerWaalsContact O-N 3.16Å; S640-W642 PolarHBondContact O-N 2.58Å; W642-N644 PolarHBondContact O-N 3.16Å
643P24.3Very low33.2Very low120 Ų120121.1 Ų121.178%0.77963%0.633SS**  trans-61.5124.9-179-20.330.9000111.5H645P643-H645 PolarHBondContact O-N 2.92Å
644N21.5Very low30.9Very low151 Ų151125.7 Ų125.781%0.80766%0.659SS**  trans-63.795.5175.6-73.5-23.9000111.2W642W642-N644 PolarHBondContact O-N 3.16Å
645H20.1Very low28.7Very low172 Ų172130 Ų13080%0.79669%0.685SS**  trans-147.3114.2149.1-90.1-78.9000106.4P643P643-H645 PolarHBondContact O-N 2.92Å
646I20.5Very low26.8Very low173 Ų173132.7 Ų132.789%0.88770%0.703SS**  trans172.1129.8142-84149000108.4
647H20.5Very low25.2Very low169 Ų169135.8 Ų135.878%0.78272%0.716SS**  trans-69.6156.7-172.2-81.3-98.8000115.3
648S18.9Very low23.9Very low93 Ų93138.8 Ų138.865%0.6574%0.737SS**  trans-38137162.751.40000116.7
649Y21Very low22.8Very low232 Ų232142.6 Ų142.691%0.9175%0.754SS**  trans-152.1149.1141.4-86.3-70.4000111.3
650S18.7Very low22.4Very low101 Ų101143.4 Ų143.471%0.70677%0.765SS**  trans-99.8170.8-173.6650000113.4
651S21.8Very low22.3Very low98 Ų98143.7 Ų143.769%0.68577%0.774SS**  trans102.3111.7144.8-51.90000120.2
652T20.9Very low22.1Very low116 Ų116147.6 Ų147.671%0.71278%0.782SS**  81114.7127.6-30.60000122.9
653E22.6Very low22.3Very low172 Ų172147.4 Ų147.480%0.80480%0.797SS**  trans53.4127.9143.1-64176.7-176.700124
654L23Very low22.3Very low161 Ų161148 Ų14884%0.84380%0.798SS**  169.4147.3115.2-93.3159.4000114.3
655I23.2Very low22.3Very low150 Ų150148.7 Ų148.777%0.76980%0.802SS**  trans-84.2135.5-175.1-63.2156000111.6
656I23.8Very low22.6Very low162 Ų162143.8 Ų143.883%0.83179%0.791SS**  trans-143.7136.6161.2-59.2-176.2000113.4
657N21.1Very low22.8Very low147 Ų147143.3 Ų143.379%0.78678%0.779SS**  trans-65.3151.2-176.8-74.5-32.5000116.8N659N657-N659 PolarHBondContact O-N 3.3Å
658N23.9Very low23.2Very low145 Ų145137.2 Ų137.278%0.77575%0.752SS**  trans-63.7118.9163.7-75-27000110.8
659N23.4Very low23.9Very low154 Ų154137.8 Ų137.882%0.82475%0.748SS**  trans-177.680.6148.2-89.2-17.2000108N657N657-N659 PolarHBondContact O-N 3.3Å
660D24.5Very low24.7Very low169 Ų169129 Ų12990%0.90472%0.72SS**  trans-161.866.3159.6-90.3-28.2000109Q662D660-Q662 VanDerWaalsContact C-N 3.32Å; D660-Q662 PolarHBondContact O-N 3.46Å
661A27Very low25.7Very low99 Ų99127 Ų12782%0.81871%0.707SS**  trans-88.669.1170.700000109.6
662Q23.5Very low26.5Very low171 Ų171126.1 Ų126.180%0.79969%0.692SS**SBendtrans-164.1119.2164.4-106.2159.552.200109D660D660-Q662 VanDerWaalsContact C-N 3.32Å; D660-Q662 PolarHBondContact O-N 3.46Å
663T23.2Very low27.5Very low141 Ų141121.6 Ų121.687%0.86566%0.663SS**  trans84.158.5173.373.10000119
664T24.5Very low28.6Very low131 Ų131114.8 Ų114.880%0.80463%0.632SS**  trans-123.1110.5149.352.50000109.9A666T664-A666 VanDerWaalsContact C-N 3.32Å; T664-A666 PolarHBondContact O-N 3.2Å
665N22.7Very low29.6Very low166 Ų166110.5 Ų110.589%0.88862%0.62SS**  trans-5396.8167.5-69.1-25.1000108.8Y667N665-Y667 PolarHBondContact O-N 3.2Å
666A25.7Very low30.8Very low69 Ų69106.7 Ų106.757%0.5760%0.601SS**  trans-77.489.6-17400000109.6T664 L668T664-A666 VanDerWaalsContact C-N 3.32Å; T664-A666 PolarHBondContact O-N 3.2Å; A666-L668 VanDerWaalsContact C-N 3.26Å; A666-L668 PolarHBondContact O-N 2.96Å; A666-L668 VanDerWaalsContact O-N 3.16Å
667Y25.4Very low31.9Very low163 Ų163100.6 Ų100.664%0.63957%0.569SS**  trans-60.6108.7132.7-80.6-75000104.8E482 N665 N669E482-Y667 VanDerWaalsContact CD-OH 3.25Å; E482-Y667 PolarHBondContact OE1-OH 3.29Å; N665-Y667 PolarHBondContact O-N 3.2Å; Y667-N669 PolarHBondContact O-N 3.08Å
668L29.4Very low32.6Very low41 Ų4194.5 Ų94.522%0.21554%0.54CS..  trans-49.3116.9170-82.3174.2000106.4W569 Y570 A666 S670 E672W569-L668 HydrophobicContact CE3-CD1 4.45Å; W569-L668 HydrophobicContact CH2-CD1 3.22Å; W569-L668 HydrophobicContact CH2-CG 3.72Å; W569-L668 HydrophobicContact CZ2-CD1 4.38Å; W569-L668 HydrophobicContact CZ3-CD1 3.28Å; W569-L668 HydrophobicContact CZ3-CG 4.19Å; Y570-L668 HydrophobicContact CD1-CD1 4.35Å; Y570-L668 HydrophobicContact CE1-CD1 4.1Å; A666-L668 VanDerWaalsContact C-N 3.26Å; A666-L668 PolarHBondContact O-N 2.96Å; A666-L668 VanDerWaalsContact O-N 3.16Å; L668-S670 PolarHBondContact O-N 3.38Å; L668-E672 WeakPolarHBondContact CA-OE2 3.13Å; L668-E672 HydrophobicContact CB-CB 4.29Å; L668-E672 HydrophobicContact CD2-CB 3.5Å; L668-E672 HydrophobicContact CD2-CG 4.32Å; L668-E672 WeakPolarHBondContact CD2-OE2 3.24Å; L668-E672 HydrophobicContact CG-CB 4.44Å
669N32.3Very low32.8Very low105 Ų10592.4 Ų92.456%0.56154%0.537SS*.  trans-55142171.4-81.5-41.7000106.2Y667 S671 E672 L673Y667-N669 PolarHBondContact O-N 3.08Å; N669-S671 VanDerWaalsContact CB-OG 3.31Å; N669-S671 WeakPolarHBondContact CB-OG 3.44Å; N669-S671 CarbonylContact O-C 3.52Å; N669-S671 PolarHBondContact O-N 2.83Å; N669-E672 HydrophobicContact CB-CG 4.33Å; N669-E672 PolarHBondContact N-OE2 3.13Å; N669-E672 WeakPolarHBondContact O-CA 3.32Å; N669-E672 WeakPolarHBondContact O-CB 3.48Å; N669-E672 PolarHBondContact O-N 3.28Å; N669-L673 PolarHBondContact O-N 3.14Å; N669-L673 VanDerWaalsContact O-N 3.12Å
670S39Very low32.9Very low47 Ų4789 Ų8933%0.32952%0.522SS..Hα-helixtrans-52.8-21178.2560000113.4W631 L668 L674W631-S670 PolarHBondContact NE1-OG 3.43Å; L668-S670 PolarHBondContact O-N 3.38Å; S670-L674 WeakPolarHBondContact O-CG 3.45Å; S670-L674 PolarHBondContact O-N 3.24Å
671S39.6Very low33Very low61 Ų6184.5 Ų84.543%0.42750%0.502SS..Hα-helixtrans-69.7-38.8168.348.70000114.3N669 L674 A675N669-S671 VanDerWaalsContact CB-OG 3.31Å; N669-S671 WeakPolarHBondContact CB-OG 3.44Å; N669-S671 CarbonylContact O-C 3.52Å; N669-S671 PolarHBondContact O-N 2.83Å; S671-L674 WeakPolarHBondContact O-CB 3.47Å; S671-L674 PolarHBondContact O-N 3.29Å; S671-A675 WeakPolarHBondContact O-CB 3.37Å; S671-A675 PolarHBondContact O-N 2.9Å
672E37.7Very low32.8Very low79 Ų7985.4 Ų85.437%0.36949%0.493SS..Hα-helixtrans-71.6-32.3174.2-63.2171145.700111.5L668 N669 L674 A675 N676L668-E672 WeakPolarHBondContact CA-OE2 3.13Å; L668-E672 HydrophobicContact CB-CB 4.29Å; L668-E672 HydrophobicContact CD2-CB 3.5Å; L668-E672 HydrophobicContact CD2-CG 4.32Å; L668-E672 WeakPolarHBondContact CD2-OE2 3.24Å; L668-E672 HydrophobicContact CG-CB 4.44Å; N669-E672 HydrophobicContact CB-CG 4.33Å; N669-E672 PolarHBondContact N-OE2 3.13Å; N669-E672 WeakPolarHBondContact O-CA 3.32Å; N669-E672 WeakPolarHBondContact O-CB 3.48Å; N669-E672 PolarHBondContact O-N 3.28Å; E672-L674 VanDerWaalsContact C-N 3.28Å; E672-L674 PolarHBondContact O-N 3.17Å; E672-A675 PolarHBondContact O-N 2.68Å; E672-N676 VanDerWaalsContact O-CB 3.31Å; E672-N676 WeakPolarHBondContact O-CB 2.69Å; E672-N676 PolarHBondContact O-N 3.42Å; E672-N676 PolarHBondContact O-ND2 3.41Å; E672-N676 VanDerWaalsContact O-ND2 3.11Å
673L41.7Very low32.9Very low21 Ų2186.3 Ų86.311%0.1150%0.497CS..Hα-helixtrans-60-41.1169.3-128.5174.6000110.8Q573 N669 F677Q573-L673 HydrophobicContact CB-CD1 4.11Å; Q573-L673 HydrophobicContact CB-CD2 4.41Å; Q573-L673 HydrophobicContact CB-CG 4.44Å; N669-L673 PolarHBondContact O-N 3.14Å; N669-L673 VanDerWaalsContact O-N 3.12Å; L673-F677 HydrophobicContact CD2-CD2 3.91Å; L673-F677 HydrophobicContact CD2-CE2 3.39Å; L673-F677 HydrophobicContact CD2-CZ 4.46Å; L673-F677 WeakPolarHBondContact O-CD2 3.31Å
674L45.4Very low32.9Very low29 Ų2987.4 Ų87.415%0.15250%0.497CS..Hα-helixtrans-68.7-40.8173.5-71.4167.6000112.1L627 W631 S670 S671 E672 F677L627-L674 HydrophobicContact CD2-CD2 4.1Å; L627-L674 HydrophobicContact CG-CD2 4.05Å; W631-L674 HydrophobicContact CB-CD1 4.45Å; W631-L674 HydrophobicContact CD2-CD1 3.86Å; W631-L674 HydrophobicContact CE3-CD1 4.22Å; W631-L674 HydrophobicContact CG-CD1 4Å; W631-L674 HydrophobicContact CZ2-CD1 4.39Å; S670-L674 WeakPolarHBondContact O-CG 3.45Å; S670-L674 PolarHBondContact O-N 3.24Å; S671-L674 WeakPolarHBondContact O-CB 3.47Å; S671-L674 PolarHBondContact O-N 3.29Å; E672-L674 VanDerWaalsContact C-N 3.28Å; E672-L674 PolarHBondContact O-N 3.17Å; L674-F677 PolarHBondContact O-N 2.93Å
675A45.5Very low32.7Very low70 Ų7084.5 Ų84.558%0.57948%0.482SS*.Hα-helixtrans-65.9-37.9179.200000112.6S671 E672 F677 G678S671-A675 WeakPolarHBondContact O-CB 3.37Å; S671-A675 PolarHBondContact O-N 2.9Å; E672-A675 PolarHBondContact O-N 2.68Å; A675-F677 VanDerWaalsContact C-N 3.29Å; A675-F677 PolarHBondContact O-N 3.34Å; A675-G678 PolarHBondContact O-N 3.38Å
676N46.7Very low32.8Very low70 Ų7083 Ų8337%0.37448%0.475SS..Hα-helixtrans-74.2-15.6-178.7-70.8-26.7000113.9Y570 E672 G678Y570-N676 HydrophobicContact CD1-CB 4.05Å; Y570-N676 HydrophobicContact CE1-CB 3.66Å; Y570-N676 WeakPolarHBondContact CE1-ND2 3.44Å; E672-N676 VanDerWaalsContact O-CB 3.31Å; E672-N676 WeakPolarHBondContact O-CB 2.69Å; E672-N676 PolarHBondContact O-N 3.42Å; E672-N676 PolarHBondContact O-ND2 3.41Å; E672-N676 VanDerWaalsContact O-ND2 3.11Å; N676-G678 VanDerWaalsContact C-N 3.27Å
677F47.2Very low32.7Very low35 Ų3584 Ų8415%0.15448%0.477CS..THydrogen-bonded Turntrans-92.523.4171.7-74.1-62.4000113.3P525 R526 L673 L674 A675P525-F677 HydrophobicContact CB-CE1 4.49Å; P525-F677 HydrophobicContact CG-CD1 3.62Å; P525-F677 HydrophobicContact CG-CE1 3.79Å; P525-F677 HydrophobicContact CG-CG 4.22Å; P525-F677 HydrophobicContact CG-CZ 4.5Å; R526-F677 HydrophobicContact CG-CB 4.21Å; L673-F677 HydrophobicContact CD2-CD2 3.91Å; L673-F677 HydrophobicContact CD2-CE2 3.39Å; L673-F677 HydrophobicContact CD2-CZ 4.46Å; L673-F677 WeakPolarHBondContact O-CD2 3.31Å; L674-F677 PolarHBondContact O-N 2.93Å; A675-F677 VanDerWaalsContact C-N 3.29Å; A675-F677 PolarHBondContact O-N 3.34Å
678G36.5Very low32.5Very low19 Ų1982.6 Ų82.620%0.19648%0.479CS..  trans70149.7174.100000113.4R526 A675 N676R526-G678 PolarHBondContact NH1-O 3.28Å; A675-G678 PolarHBondContact O-N 3.38Å; N676-G678 VanDerWaalsContact C-N 3.27Å
679S27.7Very low32.3Very low101 Ų10188.2 Ų88.271%0.70650%0.503SS*.PPolyproline II helixtrans-69.4157168.445.60000111.1
680V26.7Very low31.9Very low82 Ų8288.6 Ų88.650%0.49751%0.508SS..PPolyproline II helixtrans-53.7136.7169.4176.40000107.8N682V680-N682 PolarHBondContact O-N 2.99Å
681P24.9Very low31.1Very low75 Ų7593.6 Ų93.649%0.48753%0.531SS..PPolyproline II helixtrans-60.4116.2-178.9-15.928000109.2Q683P681-Q683 PolarHBondContact O-N 3.25Å
682N23.2Very low30.4Very low118 Ų11895.9 Ų95.963%0.63154%0.535SS*.PPolyproline II helixtrans-58.4132.9154-85.6-11.2000106.2V680 D684 S685V680-N682 PolarHBondContact O-N 2.99Å; N682-D684 PolarHBondContact O-N 2.81Å; N682-S685 PolarHBondContact O-N 2.94Å
683Q25.3Very low29.7Very low190 Ų19099.2 Ų99.289%0.88856%0.555SS**THydrogen-bonded Turntrans-58.3-4.7-176.8-79.5-177.5-24.800114.4P681P681-Q683 PolarHBondContact O-N 3.25Å
684D23.3Very low28.8Very low163 Ų163104.9 Ų104.987%0.87259%0.586SS**THydrogen-bonded Turntrans-117.714.3-178.1-63.6-37.9000115.4N682N682-D684 PolarHBondContact O-N 2.81Å
685S22Very low28Very low70 Ų70108 Ų10849%0.4962%0.615SS.*  trans-144.583.6174.559.80000113N682 S687N682-S685 PolarHBondContact O-N 2.94Å; S685-S687 VanDerWaalsContact C-N 3.3Å; S685-S687 PolarHBondContact O-N 3.08Å
686N22.8Very low27.1Very low135 Ų135111.6 Ų111.672%0.72263%0.625SS**  trans-74.370.6173-78.9-29.3000112.1
687S23.6Very low26.1Very low89 Ų89115.9 Ų115.962%0.62265%0.648SS**  trans-155.198.9161.949.30000111.8S685 F689S685-S687 VanDerWaalsContact C-N 3.3Å; S685-S687 PolarHBondContact O-N 3.08Å; S687-F689 VanDerWaalsContact C-N 3.33Å
688I22.8Very low25.1Very low134 Ų134123.2 Ų123.269%0.68768%0.683SS**  trans-95.976.8154.1-58.1173.6000105
689F24.5Very low24.5Very low160 Ų160131 Ų13170%0.70271%0.712SS**  trans-120.5143.3164-86.1-81.4000108S687 N691S687-F689 VanDerWaalsContact C-N 3.33Å; F689-N691 PolarHBondContact O-N 3.34Å
690V24.8Very low24.5Very low112 Ų112134.8 Ų134.868%0.67972%0.716SS**  trans-39.9125176176.60000109.4H692V690-H692 PolarHBondContact O-N 3.3Å
691N21.5Very low24.5Very low152 Ų152136.9 Ų136.981%0.81373%0.729SS**  trans-47.597.1176.4-92.6-8.1000110.5F689F689-N691 PolarHBondContact O-N 3.34Å
692H24Very low24.6Very low109 Ų109139.5 Ų139.551%0.50574%0.739SS.*  trans-103.598.3157.5-91.3-51.4000106.9Q560 V690 N694Q560-H692 PolarHBondContact NE2-CE1 3.27Å; Q560-H692 VanDerWaalsContact NE2-CE1 3.28Å; Q560-H692 PolarHBondContact NE2-NE2 2.85Å; Q560-H692 PolarHBondContact OE1-NE2 3.41Å; V690-H692 PolarHBondContact O-N 3.3Å; H692-N694 PolarHBondContact O-N 3.06Å
693N22.8Very low25Very low149 Ų149141 Ų14180%0.79774%0.742SS**  trans-65.684.2157.2-77.4-11.2000106.9
694N23.8Very low25.5Very low140 Ų140143 Ų14375%0.74974%0.741SS**  trans-148.796.7157.2-87.5-24.2000106.2H692 D696H692-N694 PolarHBondContact O-N 3.06Å; N694-D696 PolarHBondContact O-N 3.21Å
695A29.4Very low26.8Very low94 Ų94139 Ų13978%0.77773%0.725SS**  trans-59.9112.2159.600000106.4
696D25.2Very low28.8Very low146 Ų146138 Ų13878%0.78173%0.727SS**  trans148.392.2156.2-73.4-16.9000108.7N694N694-D696 PolarHBondContact O-N 3.21Å
697N26.3Very low31.5Very low161 Ų161138 Ų13886%0.86172%0.716SS**  trans-178.499.5142.1-88.6-23.7000110.3F699N697-F699 VanDerWaalsContact C-N 3.3Å; N697-F699 PolarHBondContact O-N 3.34Å; N697-F699 VanDerWaalsContact O-N 3.12Å
698Q25.6Very low34.4Very low188 Ų188134.9 Ų134.988%0.87969%0.693SS**  trans-78.367.5171.3-70.9-180-25.900111.2
699F23.8Very low37.6Very low183 Ų183131.8 Ų131.880%0.80368%0.68SS**  trans-156.596.7164.9-82.5-77000108.4N697N697-F699 VanDerWaalsContact C-N 3.3Å; N697-F699 PolarHBondContact O-N 3.34Å; N697-F699 VanDerWaalsContact O-N 3.12Å
700F27.5Very low40.7Very low181 Ų181124.9 Ų124.979%0.79465%0.652SS**  trans170.881151-87.7-61.7000108.9D702F700-D702 VanDerWaalsContact C-N 3.32Å; F700-D702 PolarHBondContact O-N 3.38Å
701T26.7Very low43.8Very low125 Ų125123.8 Ų123.877%0.76764%0.639SS**  trans-93.344.7172.950.50000112.1
702D27.7Very low47.1Very low130 Ų130119.4 Ų119.470%0.69561%0.614SS**  trans-104.971.4168.7-89.6-17.7000110.2F700 R704F700-D702 VanDerWaalsContact C-N 3.32Å; F700-D702 PolarHBondContact O-N 3.38Å; D702-R704 PolarHBondContact O-N 2.86Å
703H32.3Very low50.4Low150 Ų150114.6 Ų114.669%0.69459%0.591SS**THydrogen-bonded Turntrans-67.619.1178.6-70.4-65.6000114.9
704R35.7Very low53.8Low233 Ų233107.8 Ų107.888%0.87956%0.555SS**THydrogen-bonded Turntrans-117.54.7-179.3-73.4-167.8-176.5-167.92.7115.2D702 G706D702-R704 PolarHBondContact O-N 2.86Å; R704-G706 VanDerWaalsContact C-N 3.33Å; R704-G706 PolarHBondContact O-N 2.88Å
705S49.9Very low57.1Low77 Ų77102.3 Ų102.354%0.53853%0.528SS..THydrogen-bonded Turntrans-68.7-15.1-166.159.40000117C551C551-S705 PolarHBondContact SG-O 3.45Å
706G64.7Low60.1Low50 Ų5097.9 Ų97.952%0.51549%0.491SS..THydrogen-bonded Turntrans-101.7-18.8-170.900000117.8V592 R704V592-G706 WeakPolarHBondContact CG2-O 3.39Å; R704-G706 VanDerWaalsContact C-N 3.33Å; R704-G706 PolarHBondContact O-N 2.88Å
707R79.1Confident63.4Low134 Ų13490.9 Ų90.951%0.50645%0.454SS..SBendtrans-101129.9-174.6-174.5175170.294.7-2.1110.2D619 D620D619-R707 PolarHBondContact O-NH1 2.73Å; D619-R707 PolarHBondContact O-NH2 2.94Å; D620-R707 IonicContact OD1-CZ 3.72Å; D620-R707 IonicContact OD1-NH2 3.58Å; D620-R707 PolarHBondContact OD1-NH2 3.17Å
708L85.6Confident66.6Low25 Ų2588.1 Ų88.113%0.13143%0.431CS..PPolyproline II helixtrans-61.1140.7172.8-69.6164.7000110.2V592 R593 I596 Y618 E712 Y713 I716V592-L708 HydrophobicContact CB-CD2 4.24Å; V592-L708 HydrophobicContact CG1-CD1 4.42Å; V592-L708 HydrophobicContact CG1-CD2 4.13Å; V592-L708 HydrophobicContact CG1-CG 4.08Å; R593-L708 HydrophobicContact CB-CD2 3.86Å; I596-L708 HydrophobicContact CD1-CD1 3.81Å; Y618-L708 VanDerWaalsContact CE2-O 3.32Å; Y618-L708 WeakPolarHBondContact CE2-O 3.39Å; L708-E712 HydrophobicContact CD2-CB 4.06Å; L708-Y713 HydrophobicContact CD1-CD2 4.29Å; L708-I716 HydrophobicContact CD1-CD1 3.82Å; L708-I716 HydrophobicContact CD2-CD1 3.95Å
709T89.2Confident69.8Low68 Ų6880.3 Ų80.342%0.41740%0.395SS..PPolyproline II helixtrans-74.1160.4165.660.60000110.9Q711 E712 Y713T709-Q711 VanDerWaalsContact C-N 3.28Å; T709-Q711 PolarHBondContact O-N 2.81Å; T709-E712 PolarHBondContact N-OE2 3.24Å; T709-E712 PolarHBondContact O-N 3.05Å; T709-E712 VanDerWaalsContact OG1-CB 3.31Å; T709-E712 WeakPolarHBondContact OG1-CB 3.26Å; T709-E712 VanDerWaalsContact OG1-CD 3.3Å; T709-E712 WeakPolarHBondContact OG1-CG 3.29Å; T709-E712 PolarHBondContact OG1-N 2.63Å; T709-E712 VanDerWaalsContact OG1-N 3.17Å; T709-E712 PolarHBondContact OG1-OE2 3.08Å; T709-Y713 PolarHBondContact O-N 2.98Å
710S88.7Confident73.2Confident15 Ų1571.6 Ų71.611%0.10536%0.357CS..Hα-helixtrans-55.5-43.9174.750.20000112.4Y713 V714 D968S710-Y713 PolarHBondContact O-N 2.76Å; S710-V714 WeakPolarHBondContact O-CG2 3.18Å; S710-V714 PolarHBondContact O-N 2.85Å; S710-D968 WeakPolarHBondContact CB-OD1 3.45Å; S710-D968 PolarHBondContact OG-OD1 2.87Å
711Q90.9Very high76.3Confident89 Ų8963.8 Ų63.842%0.41632%0.323SS..Hα-helixtrans-62-46.6175.3-66.7-176-200111.5T709 Y713 V714 S715 L964 A967T709-Q711 VanDerWaalsContact C-N 3.28Å; T709-Q711 PolarHBondContact O-N 2.81Å; Q711-Y713 PolarHBondContact O-N 3.41Å; Q711-V714 PolarHBondContact O-N 2.92Å; Q711-S715 VanDerWaalsContact O-CB 3.3Å; Q711-S715 WeakPolarHBondContact O-CB 3.24Å; Q711-S715 PolarHBondContact O-N 3.08Å; Q711-L964 HydrophobicContact CB-CD1 4.49Å; Q711-L964 HydrophobicContact CB-CD2 3.97Å; Q711-L964 HydrophobicContact CB-CG 3.96Å; Q711-L964 HydrophobicContact CG-CG 4.21Å; Q711-L964 WeakPolarHBondContact O-CD1 3.37Å; Q711-A967 HydrophobicContact CG-CB 4.16Å
712E91.1Very high79.4Confident60 Ų6063.1 Ų63.128%0.2832%0.315SS..Hα-helixtrans-61.5-43.1176.7-76.2170.8140.600112R593 L708 T709 S715 I716R593-E712 HydrophobicContact CB-CB 4.46Å; R593-E712 HydrophobicContact CB-CG 4.3Å; R593-E712 HydrophobicContact CG-CB 4.32Å; R593-E712 HydrophobicContact CG-CG 4.15Å; L708-E712 HydrophobicContact CD2-CB 4.06Å; T709-E712 PolarHBondContact N-OE2 3.24Å; T709-E712 PolarHBondContact O-N 3.05Å; T709-E712 VanDerWaalsContact OG1-CB 3.31Å; T709-E712 WeakPolarHBondContact OG1-CB 3.26Å; T709-E712 VanDerWaalsContact OG1-CD 3.3Å; T709-E712 WeakPolarHBondContact OG1-CG 3.29Å; T709-E712 PolarHBondContact OG1-N 2.63Å; T709-E712 VanDerWaalsContact OG1-N 3.17Å; T709-E712 PolarHBondContact OG1-OE2 3.08Å; E712-S715 WeakPolarHBondContact CA-OG 3.46Å; E712-S715 PolarHBondContact O-N 2.82Å; E712-S715 PolarHBondContact O-OG 2.83Å; E712-I716 WeakPolarHBondContact O-CG1 3.42Å; E712-I716 PolarHBondContact O-N 3.18Å
713Y93Very high82.5Confident9 Ų959.6 Ų59.64%0.03530%0.295CS..Hα-helixtrans-62-47.5179-175.9-91.2000112.3L615 G616 Y618 L708 T709 S710 Q711 S715 I716 I717 L729 L971L615-Y713 HydrophobicContact CB-CE2 4.3Å; L615-Y713 HydrophobicContact CD1-CE2 4.44Å; G616-Y713 PolarHBondContact O-OH 2.92Å; Y618-Y713 HydrophobicContact CD2-CD2 4.16Å; Y618-Y713 HydrophobicContact CD2-CG 4.05Å; Y618-Y713 HydrophobicContact CG-CD1 4.49Å; Y618-Y713 HydrophobicContact CG-CG 4.37Å; L708-Y713 HydrophobicContact CD1-CD2 4.29Å; T709-Y713 PolarHBondContact O-N 2.98Å; S710-Y713 PolarHBondContact O-N 2.76Å; Q711-Y713 PolarHBondContact O-N 3.41Å; Y713-S715 VanDerWaalsContact C-N 3.29Å; Y713-S715 PolarHBondContact O-N 3.34Å; Y713-I716 WeakPolarHBondContact O-CB 2.98Å; Y713-I716 PolarHBondContact O-N 2.86Å; Y713-I717 HydrophobicContact CD1-CD1 4Å; Y713-I717 HydrophobicContact CE1-CD1 3.59Å; Y713-I717 HydrophobicContact CE1-CG1 4.41Å; Y713-I717 PolarHBondContact O-N 3.4Å; Y713-L729 WeakPolarHBondContact OH-CD2 3.3Å; Y713-L971 HydrophobicContact CD1-CD1 4.3Å; Y713-L971 HydrophobicContact CD1-CD2 3.86Å; Y713-L971 HydrophobicContact CE1-CD2 3.99Å
714V93.7Very high85.3Confident5 Ų559 Ų593%0.0329%0.292CS..Hα-helixtrans-65-35.7175.7175.60000111.2S710 Q711 I716 I717 R718 P960 L964 A967 Y970 L971S710-V714 WeakPolarHBondContact O-CG2 3.18Å; S710-V714 PolarHBondContact O-N 2.85Å; Q711-V714 PolarHBondContact O-N 2.92Å; V714-I716 VanDerWaalsContact C-N 3.3Å; V714-I716 PolarHBondContact O-N 3.21Å; V714-I717 PolarHBondContact O-N 3.31Å; V714-R718 PolarHBondContact O-N 3.39Å; V714-P960 HydrophobicContact CG1-CB 3.81Å; V714-P960 HydrophobicContact CG1-CG 4.48Å; V714-L964 HydrophobicContact CB-CD1 4.29Å; V714-L964 HydrophobicContact CG1-CD1 4.23Å; V714-A967 HydrophobicContact CB-CB 3.9Å; V714-A967 HydrophobicContact CG1-CB 4.31Å; V714-A967 HydrophobicContact CG2-CB 3.76Å; V714-Y970 HydrophobicContact CG1-CD1 4.49Å; V714-Y970 HydrophobicContact CG2-CD1 3.91Å; V714-Y970 HydrophobicContact CG2-CE1 4.46Å; V714-L971 HydrophobicContact CG2-CD1 3.98Å; V714-L971 HydrophobicContact CG2-CD2 3.95Å; V714-L971 HydrophobicContact CG2-CG 3.75Å
715S92.8Very high88Confident26 Ų2648.9 Ų48.918%0.18226%0.256CS..Hα-helixtrans-64.6-32.317582.70000112.9R593 Q711 E712 Y713 E719R593-S715 PolarHBondContact NE-OG 3.09Å; R593-S715 PolarHBondContact NH2-O 3.14Å; R593-S715 PolarHBondContact NH2-OG 2.96Å; Q711-S715 VanDerWaalsContact O-CB 3.3Å; Q711-S715 WeakPolarHBondContact O-CB 3.24Å; Q711-S715 PolarHBondContact O-N 3.08Å; E712-S715 WeakPolarHBondContact CA-OG 3.46Å; E712-S715 PolarHBondContact O-N 2.82Å; E712-S715 PolarHBondContact O-OG 2.83Å; Y713-S715 VanDerWaalsContact C-N 3.29Å; Y713-S715 PolarHBondContact O-N 3.34Å; S715-E719 VanDerWaalsContact O-CB 3.29Å; S715-E719 WeakPolarHBondContact O-CB 3.46Å; S715-E719 PolarHBondContact O-N 2.76Å
716I93.5Very high90.1Very high0 Ų045.2 Ų45.20%023%0.231CC..Hα-helixtrans-66-46.8173.3-67.6164.6000109.5I596 I600 L615 L708 E712 Y713 V714 R718 E719 I720I596-I716 HydrophobicContact CB-CD1 4.37Å; I596-I716 HydrophobicContact CD1-CD1 3.94Å; I596-I716 HydrophobicContact CG2-CD1 4.05Å; I596-I716 HydrophobicContact CG2-CG1 4.41Å; I596-I716 HydrophobicContact CG2-CG2 3.93Å; I600-I716 HydrophobicContact CD1-CG2 4.02Å; L615-I716 HydrophobicContact CD1-CG2 4.26Å; L615-I716 HydrophobicContact CD2-CG2 4.45Å; L708-I716 HydrophobicContact CD1-CD1 3.82Å; L708-I716 HydrophobicContact CD2-CD1 3.95Å; E712-I716 WeakPolarHBondContact O-CG1 3.42Å; E712-I716 PolarHBondContact O-N 3.18Å; Y713-I716 WeakPolarHBondContact O-CB 2.98Å; Y713-I716 PolarHBondContact O-N 2.86Å; V714-I716 VanDerWaalsContact C-N 3.3Å; V714-I716 PolarHBondContact O-N 3.21Å; I716-R718 VanDerWaalsContact C-N 3.3Å; I716-R718 PolarHBondContact O-N 2.98Å; I716-E719 WeakPolarHBondContact O-CB 3.28Å; I716-E719 PolarHBondContact O-N 3.3Å; I716-E719 VanDerWaalsContact O-N 3.14Å; I716-I720 HydrophobicContact CG2-CD1 3.71Å; I716-I720 HydrophobicContact CG2-CG1 4.29Å; I716-I720 VanDerWaalsContact O-CG1 3.24Å; I716-I720 WeakPolarHBondContact O-CG1 3.39Å; I716-I720 PolarHBondContact O-N 3.1Å
717I94.3Very high91.6Very high0 Ų042.9 Ų42.90%021%0.206CC..Hα-helixtrans-56.7-47.8177-65.6171.4000110.2L615 Y713 V714 E719 I720 L721 V727 L729 P960L615-I717 HydrophobicContact CD1-CG1 3.92Å; Y713-I717 HydrophobicContact CD1-CD1 4Å; Y713-I717 HydrophobicContact CE1-CD1 3.59Å; Y713-I717 HydrophobicContact CE1-CG1 4.41Å; Y713-I717 PolarHBondContact O-N 3.4Å; V714-I717 PolarHBondContact O-N 3.31Å; I717-E719 VanDerWaalsContact C-N 3.32Å; I717-E719 PolarHBondContact O-N 3.22Å; I717-I720 PolarHBondContact O-N 2.84Å; I717-L721 HydrophobicContact CG2-CD1 4.22Å; I717-L721 WeakPolarHBondContact O-CG 3.32Å; I717-L721 PolarHBondContact O-N 3.45Å; I717-V727 HydrophobicContact CG2-CG1 4.31Å; I717-L729 HydrophobicContact CD1-CD1 4.01Å; I717-L729 HydrophobicContact CD1-CD2 3.96Å; I717-L729 HydrophobicContact CG1-CD2 4.26Å; I717-P960 HydrophobicContact CG2-CG 4.04Å
718R93.3Very high92.4Very high102 Ų10236.5 Ų36.539%0.38518%0.182SC..Hα-helixtrans-60.8-42.1177.4-176.1177.9178.6176.31.6112V714 I716 L721 N722 S962V714-R718 PolarHBondContact O-N 3.39Å; I716-R718 VanDerWaalsContact C-N 3.3Å; I716-R718 PolarHBondContact O-N 2.98Å; R718-L721 PolarHBondContact O-N 3.2Å; R718-N722 WeakPolarHBondContact O-CB 3.43Å; R718-N722 PolarHBondContact O-N 3.33Å; R718-N722 PolarHBondContact O-OD1 3Å; R718-S962 PolarHBondContact NH1-O 3.35Å
719E92.9Very high93Very high25 Ų2535.3 Ų35.312%0.11718%0.176CC..Hα-helixtrans-61.6-44.8177.2177.7170.1-142.500112.2R593 S597 R601 S715 I716 I717 L721 N722 M723R593-E719 IonicContact CZ-OE2 3.28Å; R593-E719 IonicContact NH1-OE2 3.16Å; R593-E719 PolarHBondContact NH1-OE2 2.88Å; R593-E719 IonicContact NH2-OE2 2.7Å; R593-E719 PolarHBondContact NH2-OE2 3.35Å; S597-E719 PolarHBondContact OG-OE1 2.85Å; S597-E719 PolarHBondContact OG-OE2 3.09Å; R601-E719 IonicContact CZ-OE1 2.62Å; R601-E719 IonicContact NH1-OE1 2.67Å; R601-E719 PolarHBondContact NH1-OE1 3.22Å; R601-E719 IonicContact NH2-OE1 3.58Å; R601-E719 PolarHBondContact NH2-OE1 3.41Å; S715-E719 VanDerWaalsContact O-CB 3.29Å; S715-E719 WeakPolarHBondContact O-CB 3.46Å; S715-E719 PolarHBondContact O-N 2.76Å; I716-E719 WeakPolarHBondContact O-CB 3.28Å; I716-E719 PolarHBondContact O-N 3.3Å; I716-E719 VanDerWaalsContact O-N 3.14Å; I717-E719 VanDerWaalsContact C-N 3.32Å; I717-E719 PolarHBondContact O-N 3.22Å; E719-L721 VanDerWaalsContact C-N 3.33Å; E719-L721 PolarHBondContact O-N 3.12Å; E719-N722 PolarHBondContact O-N 3.06Å; E719-M723 HydrophobicContact CG-CE 3.54Å; E719-M723 HydrophobicContact CG-SD 4.41Å; E719-M723 VanDerWaalsContact O-CG 3.32Å; E719-M723 WeakPolarHBondContact O-CG 3.47Å; E719-M723 PolarHBondContact O-N 3.39Å
720I94.2Very high93.2Very high0 Ų032.4 Ų32.40%016%0.159CC..Hα-helixtrans-60.7-43.6176.7-62.9161.7000110.5I600 V613 L615 I716 I717 M723 T725 V727I600-I720 HydrophobicContact CD1-CD1 3.92Å; I600-I720 HydrophobicContact CD1-CG1 3.64Å; I600-I720 HydrophobicContact CG1-CG1 4.45Å; I600-I720 HydrophobicContact CG2-CG1 4.4Å; V613-I720 HydrophobicContact CB-CD1 3.97Å; V613-I720 HydrophobicContact CB-CG1 4.42Å; V613-I720 HydrophobicContact CB-CG2 3.99Å; V613-I720 HydrophobicContact CG1-CD1 3.73Å; V613-I720 HydrophobicContact CG1-CG1 4.47Å; V613-I720 HydrophobicContact CG2-CD1 4.48Å; V613-I720 HydrophobicContact CG2-CG1 4.43Å; V613-I720 HydrophobicContact CG2-CG2 3.91Å; L615-I720 HydrophobicContact CD1-CD1 4.01Å; I716-I720 HydrophobicContact CG2-CD1 3.71Å; I716-I720 HydrophobicContact CG2-CG1 4.29Å; I716-I720 VanDerWaalsContact O-CG1 3.24Å; I716-I720 WeakPolarHBondContact O-CG1 3.39Å; I716-I720 PolarHBondContact O-N 3.1Å; I717-I720 PolarHBondContact O-N 2.84Å; I720-M723 WeakPolarHBondContact O-CB 3.47Å; I720-M723 PolarHBondContact O-N 3.46Å; I720-T725 WeakPolarHBondContact CG2-OG1 3.2Å; I720-T725 PolarHBondContact O-N 3.36Å; I720-T725 VanDerWaalsContact O-N 3.12Å; I720-T725 PolarHBondContact O-OG1 2.91Å; I720-V727 HydrophobicContact CB-CG2 3.7Å; I720-V727 HydrophobicContact CD1-CG2 4.41Å; I720-V727 HydrophobicContact CG2-CG2 3.32Å
721L93.5Very high93.4Very high16 Ų1632 Ų328%0.08416%0.155CC..Hα-helixtrans-66-38176.9-66.3176.5000112.4I717 R718 E719 M723 E724 V727 K959 P960 H988 L990I717-L721 HydrophobicContact CG2-CD1 4.22Å; I717-L721 WeakPolarHBondContact O-CG 3.32Å; I717-L721 PolarHBondContact O-N 3.45Å; R718-L721 PolarHBondContact O-N 3.2Å; E719-L721 VanDerWaalsContact C-N 3.33Å; E719-L721 PolarHBondContact O-N 3.12Å; L721-M723 PolarHBondContact O-N 2.99Å; L721-E724 PolarHBondContact O-N 3.26Å; L721-V727 HydrophobicContact CD2-CB 4.41Å; L721-V727 HydrophobicContact CD2-CG2 3.71Å; L721-V727 HydrophobicContact CG-CG2 3.92Å; L721-K959 HydrophobicContact CD1-CG 4.12Å; L721-P960 HydrophobicContact CD1-CG 4.47Å; L721-H988 HydrophobicContact CD2-CB 4.32Å; L721-L990 HydrophobicContact CD2-CD1 3.99Å; L721-L990 HydrophobicContact CD2-CG 4.36Å
722N92.5Very high93.5Very high112 Ų11227.9 Ų27.960%0.59914%0.136SC*.Hα-helixtrans-67.3-25.6175.2-71.7-10000112.7R718 E719 E724R718-N722 WeakPolarHBondContact O-CB 3.43Å; R718-N722 PolarHBondContact O-N 3.33Å; R718-N722 PolarHBondContact O-OD1 3Å; E719-N722 PolarHBondContact O-N 3.06Å; N722-E724 PolarHBondContact O-N 2.8Å
723M91.1Very high93.4Very high55 Ų5525.4 Ų25.427%0.27112%0.124SC..THydrogen-bonded Turntrans-79.55.8171.8-68.4173.5-177.700113.2I600 R601 E719 I720 L721 T725I600-M723 HydrophobicContact CG2-SD 3.59Å; I600-M723 VanDerWaalsContact CG2-SD 3.59Å; R601-M723 HydrophobicContact CG-CE 3.45Å; R601-M723 VanDerWaalsContact CG-CE 3.45Å; R601-M723 HydrophobicContact CG-SD 4.21Å; R601-M723 VanDerWaalsContact NH1-CE 3.3Å; E719-M723 HydrophobicContact CG-CE 3.54Å; E719-M723 HydrophobicContact CG-SD 4.41Å; E719-M723 VanDerWaalsContact O-CG 3.32Å; E719-M723 WeakPolarHBondContact O-CG 3.47Å; E719-M723 PolarHBondContact O-N 3.39Å; I720-M723 WeakPolarHBondContact O-CB 3.47Å; I720-M723 PolarHBondContact O-N 3.46Å; L721-M723 PolarHBondContact O-N 2.99Å; M723-T725 VanDerWaalsContact C-N 3.26Å; M723-T725 HydrophobicContact CB-CG2 4.41Å; M723-T725 PolarHBondContact O-N 3.39Å
724E91.3Very high92.9Very high138 Ų13827.2 Ų27.265%0.64513%0.134SC*.THydrogen-bonded Turntrans56.740.9-174.8-54-174.7155.400111.6L721 N722 H991L721-E724 PolarHBondContact O-N 3.26Å; N722-E724 PolarHBondContact O-N 2.8Å; E724-H991 PolarHBondContact O-CE1 3.38Å
725T92.5Very high92.5Very high21 Ų2128.7 Ų28.713%0.12914%0.139CC..  trans-115.3145176.451.40000111.1I720 M723I720-T725 WeakPolarHBondContact CG2-OG1 3.2Å; I720-T725 PolarHBondContact O-N 3.36Å; I720-T725 VanDerWaalsContact O-N 3.12Å; I720-T725 PolarHBondContact O-OG1 2.91Å; M723-T725 VanDerWaalsContact C-N 3.26Å; M723-T725 HydrophobicContact CB-CG2 4.41Å; M723-T725 PolarHBondContact O-N 3.39Å
726N95.2Very high92.1Very high0 Ų027.4 Ų27.40%013%0.131CC..EExtended strand (participates in β ladder)trans-71.6141.7-178.7-51.4-54.7000109.5N611 T612 V613 F839 H988 G989 L990N611-N726 PolarHBondContact O-N 2.98Å; N611-N726 PolarHBondContact O-ND2 2.86Å; N611-N726 VanDerWaalsContact O-ND2 3.09Å; T612-N726 CarbonylContact C-O 3.59Å; T612-N726 VanDerWaalsContact CA-O 3.28Å; T612-N726 WeakPolarHBondContact CA-O 3.41Å; T612-N726 HydrophobicContact CG2-CB 4.18Å; T612-N726 PolarHBondContact OG1-ND2 3.45Å; V613-N726 PolarHBondContact N-O 2.81Å; N726-F839 HydrophobicContact CB-CE1 3.81Å; N726-F839 HydrophobicContact CB-CE2 4.43Å; N726-F839 HydrophobicContact CB-CZ 3.7Å; N726-H988 WeakPolarHBondContact CA-O 3.19Å; N726-G989 WeakPolarHBondContact OD1-CA 3.35Å; N726-L990 PolarHBondContact OD1-N 3.04Å
727V96Very high91.6Very high0 Ų028 Ų280%013%0.133CC..EExtended strand (participates in β ladder)trans-110.5138.8179.4177.70000109.5V613 I717 I720 L721 L729 L957 A987 H988V613-V727 CarbonylContact O-C 3.53Å; I717-V727 HydrophobicContact CG2-CG1 4.31Å; I720-V727 HydrophobicContact CB-CG2 3.7Å; I720-V727 HydrophobicContact CD1-CG2 4.41Å; I720-V727 HydrophobicContact CG2-CG2 3.32Å; L721-V727 HydrophobicContact CD2-CB 4.41Å; L721-V727 HydrophobicContact CD2-CG2 3.71Å; L721-V727 HydrophobicContact CG-CG2 3.92Å; V727-L729 HydrophobicContact CG1-CD2 3.86Å; V727-L957 HydrophobicContact CB-CD2 4.2Å; V727-L957 HydrophobicContact CG1-CD2 3.75Å; V727-A987 CarbonylContact O-C 3.52Å; V727-A987 VanDerWaalsContact O-CA 3.3Å; V727-A987 WeakPolarHBondContact O-CA 3.41Å; V727-H988 PolarHBondContact N-O 3.46Å; V727-H988 PolarHBondContact O-N 3.13Å
728V96.3Very high90.9Very high0 Ų028.4 Ų28.40%014%0.135CC..EExtended strand (participates in β ladder)trans-130132.8169.6-178.20000109.3T612 V613 C614 L615 F839 L843 L985 L986 A987T612-V728 HydrophobicContact CG2-CG2 3.63Å; V613-V728 PolarHBondContact O-N 3.26Å; C614-V728 CarbonylContact C-O 3.56Å; C614-V728 WeakPolarHBondContact CA-O 3.47Å; C614-V728 HydrophobicContact CB-CB 4.16Å; L615-V728 PolarHBondContact N-O 3.48Å; V728-F839 HydrophobicContact CG2-CE1 4.31Å; V728-L843 HydrophobicContact CG2-CD1 4.28Å; V728-L985 HydrophobicContact CG1-CB 4.19Å; V728-L985 HydrophobicContact CG1-CD1 4.45Å; V728-L985 HydrophobicContact CG1-CD2 3.86Å; V728-L985 HydrophobicContact CG1-CG 4.4Å; V728-L986 CarbonylContact C-O 3.43Å; V728-L986 VanDerWaalsContact CA-O 3.26Å; V728-L986 WeakPolarHBondContact CA-O 3.45Å; V728-A987 HydrophobicContact CG2-CB 3.91Å
729L96.3Very high89.7Confident1 Ų125.7 Ų25.71%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-111132.6170.1-44.2-177.3000108.9L615 Y713 I717 V727 L957 L974 L985 L986L615-L729 HydrophobicContact CB-CD2 3.87Å; L615-L729 HydrophobicContact CD1-CD2 3.9Å; L615-L729 HydrophobicContact CG-CD2 4.47Å; L615-L729 CarbonylContact O-C 3.53Å; L615-L729 WeakPolarHBondContact O-CA 2.98Å; Y713-L729 WeakPolarHBondContact OH-CD2 3.3Å; I717-L729 HydrophobicContact CD1-CD1 4.01Å; I717-L729 HydrophobicContact CD1-CD2 3.96Å; I717-L729 HydrophobicContact CG1-CD2 4.26Å; V727-L729 HydrophobicContact CG1-CD2 3.86Å; L729-L957 HydrophobicContact CD1-CD1 3.59Å; L729-L957 HydrophobicContact CD1-CD2 4.13Å; L729-L957 HydrophobicContact CG-CD1 4.15Å; L729-L957 HydrophobicContact CG-CD2 3.9Å; L729-L974 HydrophobicContact CD1-CD1 4.18Å; L729-L985 CarbonylContact O-C 3.6Å; L729-L985 WeakPolarHBondContact O-CA 3.49Å; L729-L986 HydrophobicContact CB-CB 4.18Å; L729-L986 HydrophobicContact CB-CD1 4.45Å; L729-L986 HydrophobicContact CD1-CD1 4.49Å; L729-L986 PolarHBondContact N-O 3.41Å; L729-L986 PolarHBondContact O-N 3.11Å
730A94.8Very high88.1Confident6 Ų626.9 Ų26.95%0.0513%0.134CC..EExtended strand (participates in β ladder)trans-113124-177.600000111.9L531 L615 F617 F733 L985L531-A730 HydrophobicContact CD1-CB 3.51Å; L531-A730 HydrophobicContact CD2-CB 3.83Å; L531-A730 HydrophobicContact CG-CB 4.33Å; L615-A730 PolarHBondContact O-N 3.33Å; F617-A730 WeakPolarHBondContact CB-O 3.45Å; F617-A730 PolarHBondContact N-O 3.46Å; A730-F733 HydrophobicContact CB-CD2 3.88Å; A730-F733 HydrophobicContact CB-CE2 3.86Å; A730-L985 HydrophobicContact CB-CD2 3.6Å
731R93.4Very high85.9Confident6 Ų629.9 Ų29.92%0.02317%0.165CC..EExtended strand (participates in β ladder)trans-126.2151.8-179.9-160.6179.3-178.8-164.5-9.4111.8F617 F733 N975 T978 D979 T984F617-R731 HydrophobicContact CB-CB 3.69Å; F617-R731 HydrophobicContact CB-CG 3.69Å; F617-R731 VanDerWaalsContact CD1-CD 3.49Å; F617-R731 HydrophobicContact CD1-CG 3.83Å; F617-R731 HydrophobicContact CD2-CB 4.05Å; F617-R731 HydrophobicContact CD2-CG 4.15Å; F617-R731 HydrophobicContact CG-CB 3.86Å; F617-R731 HydrophobicContact CG-CG 3.62Å; R731-F733 WeakPolarHBondContact O-CD2 3.29Å; R731-F733 PolarHBondContact O-N 3.41Å; R731-N975 PolarHBondContact NH1-O 2.62Å; R731-N975 PolarHBondContact NH1-OD1 3.28Å; R731-N975 PolarHBondContact NH2-OD1 2.86Å; R731-T978 WeakPolarHBondContact CD-OG1 2.96Å; R731-T978 PolarHBondContact NH1-O 2.92Å; R731-T978 PolarHBondContact NH1-OG1 3.12Å; R731-D979 IonicContact NH2-OD1 3.37Å; R731-T984 PolarHBondContact N-O 2.84Å; R731-T984 PolarHBondContact O-N 2.7Å
732N91Very high83.5Confident3 Ų332.6 Ų32.62%0.01618%0.178CC..SBendtrans62.518.5172.7-58.7-23.5000115.2D734 R735 L981N732-D734 WeakPolarHBondContact CA-OD1 3.47Å; N732-D734 PolarHBondContact O-N 3.19Å; N732-R735 PolarHBondContact O-N 3.12Å; N732-L981 PolarHBondContact ND2-O 3.37Å
733F89.4Confident81.3Confident8 Ų830.2 Ų30.24%0.03517%0.17CC..G310 helixtrans-74.3-8.6174.8-79.5-88.2000113.5S530 L531 F534 A730 R731 V736 P983 L985S530-F733 VanDerWaalsContact CB-O 3.31Å; S530-F733 WeakPolarHBondContact CB-O 3.29Å; L531-F733 HydrophobicContact CB-CB 3.95Å; L531-F733 HydrophobicContact CB-CG 4.23Å; L531-F733 HydrophobicContact CD1-CB 4.4Å; L531-F733 HydrophobicContact CD1-CD1 4.13Å; L531-F733 HydrophobicContact CD1-CD2 3.79Å; L531-F733 HydrophobicContact CD1-CE1 4.39Å; L531-F733 HydrophobicContact CD1-CE2 4.07Å; L531-F733 HydrophobicContact CD1-CG 3.82Å; L531-F733 HydrophobicContact CD1-CZ 4.35Å; F534-F733 HydrophobicContact CB-CD1 4.17Å; F534-F733 HydrophobicContact CB-CE1 3.81Å; F534-F733 AromaticContact CD1-CE1 3.51Å; F534-F733 HydrophobicContact CD1-CE1 3.51Å; F534-F733 AromaticContact CD1-CZ 3.78Å; F534-F733 HydrophobicContact CD1-CZ 3.78Å; F534-F733 AromaticContact CD2-CE1 4Å; F534-F733 HydrophobicContact CD2-CE1 4Å; F534-F733 HydrophobicContact CE1-CE1 4.05Å; F534-F733 AromaticContact CE1-CZ 4Å; F534-F733 HydrophobicContact CE1-CZ 4Å; F534-F733 HydrophobicContact CE2-CE1 4.46Å; F534-F733 HydrophobicContact CG-CD1 4.31Å; F534-F733 AromaticContact CG-CE1 3.48Å; F534-F733 HydrophobicContact CG-CE1 3.48Å; F534-F733 VanDerWaalsContact CG-CE1 3.48Å; F534-F733 HydrophobicContact CG-CZ 4.22Å; F534-F733 HydrophobicContact CZ-CE1 4.48Å; A730-F733 HydrophobicContact CB-CD2 3.88Å; A730-F733 HydrophobicContact CB-CE2 3.86Å; R731-F733 WeakPolarHBondContact O-CD2 3.29Å; R731-F733 PolarHBondContact O-N 3.41Å; F733-V736 HydrophobicContact CD1-CG1 4.37Å; F733-P983 HydrophobicContact CD1-CB 4Å; F733-P983 HydrophobicContact CD2-CB 4.34Å; F733-P983 HydrophobicContact CE1-CB 3.9Å; F733-P983 HydrophobicContact CE2-CB 4.24Å; F733-P983 HydrophobicContact CG-CB 4.22Å; F733-P983 HydrophobicContact CZ-CB 4.03Å; F733-L985 HydrophobicContact CE2-CD2 3.56Å; F733-L985 HydrophobicContact CE2-CG 4.09Å; F733-L985 HydrophobicContact CZ-CD2 3.75Å; F733-L985 HydrophobicContact CZ-CG 3.92Å
734D83.8Confident78.9Confident47 Ų4730.2 Ų30.225%0.25118%0.184SC..G310 helixtrans-72-16.9171.360.6-52.7000114.3I626 N732I626-D734 VanDerWaalsContact CD1-CA 3.44Å; I626-D734 HydrophobicContact CD1-CB 4Å; N732-D734 WeakPolarHBondContact CA-OD1 3.47Å; N732-D734 PolarHBondContact O-N 3.19Å
735R84.4Confident76.5Confident36 Ų3633.7 Ų33.714%0.13619%0.192CC..G310 helixtrans-89.2-5.3-179.7-59.8-179.3177.8172.8-8.1114.3N732 I788 P790 Y791 L981N732-R735 PolarHBondContact O-N 3.12Å; R735-I788 HydrophobicContact CG-CG2 4.3Å; R735-P790 CarbonylContact O-C 3.54Å; R735-P790 WeakPolarHBondContact O-CA 3.47Å; R735-P790 WeakPolarHBondContact O-CB 3.19Å; R735-Y791 HydrophobicContact CB-CE1 4.43Å; R735-Y791 WeakPolarHBondContact O-CD1 3.49Å; R735-Y791 WeakPolarHBondContact O-CE1 3.31Å; R735-Y791 PolarHBondContact O-N 2.89Å; R735-L981 PolarHBondContact NH1-O 2.67Å
736V84.8Confident74.5Confident0 Ų034.6 Ų34.60%020%0.195CC..EExtended strand (participates in β ladder)trans-125.2141.9-172.564.80000111.4S530 F733 F738 Y791 V793 P983S530-V736 WeakPolarHBondContact CB-O 3.5Å; S530-V736 PolarHBondContact OG-O 2.76Å; F733-V736 HydrophobicContact CD1-CG1 4.37Å; V736-F738 HydrophobicContact CG1-CE2 3.83Å; V736-F738 HydrophobicContact CG1-CZ 3.72Å; V736-F738 HydrophobicContact CG2-CD1 4.44Å; V736-F738 HydrophobicContact CG2-CE1 3.96Å; V736-F738 HydrophobicContact CG2-CZ 4Å; V736-Y791 WeakPolarHBondContact CA-O 3.33Å; V736-Y791 HydrophobicContact CB-CE1 4.44Å; V736-Y791 HydrophobicContact CG2-CE2 4.07Å; V736-V793 HydrophobicContact CG2-CG2 3.35Å; V736-P983 HydrophobicContact CB-CG 4.02Å; V736-P983 HydrophobicContact CG1-CB 4.43Å; V736-P983 HydrophobicContact CG1-CG 3.74Å
737I82.1Confident72.1Confident11 Ų1138 Ų386%0.05622%0.217CC..EExtended strand (participates in β ladder)trans-119.6125170.6-64.7172000109.4I626 R629 I630 P790 Y791 I792 V793I626-I737 HydrophobicContact CG2-CG1 4.17Å; R629-I737 HydrophobicContact CB-CD1 3.89Å; I630-I737 HydrophobicContact CG1-CG2 4Å; I737-P790 HydrophobicContact CD1-CB 4.34Å; I737-P790 HydrophobicContact CD1-CG 4.08Å; I737-P790 HydrophobicContact CG1-CB 4.33Å; I737-Y791 PolarHBondContact N-O 3.42Å; I737-I792 HydrophobicContact CB-CG1 4.25Å; I737-V793 PolarHBondContact O-N 3.34Å; I737-V793 VanDerWaalsContact O-N 3.17Å
738F80.9Confident69.5Low9 Ų941.4 Ų41.44%0.03924%0.237CC..  trans-91.4123177.1-59.9-69.8000111.1S530 Q533 F534 V736 E740 V793 W853 T951S530-F738 WeakPolarHBondContact O-CD2 3.47Å; S530-F738 VanDerWaalsContact O-CE2 3.29Å; S530-F738 WeakPolarHBondContact O-CE2 3.32Å; Q533-F738 HydrophobicContact CB-CD2 4.18Å; F534-F738 HydrophobicContact CB-CE2 3.72Å; F534-F738 HydrophobicContact CB-CZ 4.01Å; F534-F738 HydrophobicContact CD2-CE1 4.07Å; F534-F738 HydrophobicContact CD2-CE2 4.14Å; F534-F738 AromaticContact CD2-CZ 3.54Å; F534-F738 HydrophobicContact CD2-CZ 3.54Å; F534-F738 HydrophobicContact CE2-CZ 4.44Å; F534-F738 HydrophobicContact CG-CE2 4.38Å; F534-F738 HydrophobicContact CG-CZ 4.17Å; V736-F738 HydrophobicContact CG1-CE2 3.83Å; V736-F738 HydrophobicContact CG1-CZ 3.72Å; V736-F738 HydrophobicContact CG2-CD1 4.44Å; V736-F738 HydrophobicContact CG2-CE1 3.96Å; V736-F738 HydrophobicContact CG2-CZ 4Å; F738-E740 PolarHBondContact O-N 3.31Å; F738-V793 HydrophobicContact CD1-CG2 3.87Å; F738-V793 HydrophobicContact CE1-CG2 3.98Å; F738-W853 AromaticContact CD1-CH2 3.78Å; F738-W853 HydrophobicContact CD1-CH2 3.78Å; F738-W853 AromaticContact CD1-CZ2 3.78Å; F738-W853 HydrophobicContact CD1-CZ2 3.78Å; F738-W853 AromaticContact CE1-CH2 3.66Å; F738-W853 HydrophobicContact CE1-CH2 3.66Å; F738-W853 AromaticContact CE1-CZ2 3.59Å; F738-W853 HydrophobicContact CE1-CZ2 3.59Å; F738-T951 HydrophobicContact CE1-CG2 3.97Å
739D66.7Low67Low45 Ų4546.7 Ų46.724%0.24126%0.257CS..  trans-87.199.3175.2-170.330.2000111.6K637 G741 Y852K637-D739 IonicContact NZ-OD1 3.57Å; K637-D739 PolarHBondContact NZ-OD1 2.96Å; K637-D739 IonicContact NZ-OD2 3.92Å; K637-D739 PolarHBondContact NZ-OD2 3.05Å; D739-G741 PolarHBondContact O-N 3.38Å; D739-Y852 PolarHBondContact N-OH 2.86Å; D739-Y852 WeakPolarHBondContact O-CE2 3.22Å; D739-Y852 PolarHBondContact O-OH 3.12Å; D739-Y852 VanDerWaalsContact O-OH 3.12Å
740E59.3Low64.8Low50 Ų5051.3 Ų51.323%0.23428%0.275CS..  trans-8093.4166.1-90-165.8168.500110.9F738 M742 Y852F738-E740 PolarHBondContact O-N 3.31Å; E740-M742 PolarHBondContact O-N 3.39Å; E740-Y852 HydrophobicContact CB-CE2 4.38Å; E740-Y852 HydrophobicContact CG-CD2 3.78Å; E740-Y852 HydrophobicContact CG-CE2 3.54Å
741G49.8Very low62.4Low63 Ų6358.1 Ų58.165%0.64930%0.3SS*.  trans-54.2116.9157.500000109.3D739 S743D739-G741 PolarHBondContact O-N 3.38Å; G741-S743 PolarHBondContact O-N 3.03Å
742M41.4Very low60.1Low74 Ų7463 Ų6337%0.36532%0.322SS..  trans-42.4128.5177.3-89.812751.700111.4E740 D746 R750E740-M742 PolarHBondContact O-N 3.39Å; M742-D746 HydrophobicContact CB-CB 4.19Å; M742-D746 HydrophobicContact CG-CB 4.23Å; M742-R750 PolarHBondContact SD-NH2 3.03Å; M742-R750 VanDerWaalsContact SD-NH2 3.42Å
743S47.3Very low58Low61 Ų6170.2 Ų70.243%0.42735%0.349SS..  trans-54.4145.8173.271.40000110.3G741 W745 D746G741-S743 PolarHBondContact O-N 3.03Å; S743-W745 PolarHBondContact O-N 2.74Å; S743-D746 WeakPolarHBondContact O-CB 3.26Å; S743-D746 PolarHBondContact O-N 3.16Å; S743-D746 PolarHBondContact OG-OD2 2.86Å
744G40.4Very low56.1Low55 Ų5574.4 Ų74.457%0.56737%0.371SS*.Hα-helixtrans-58.3-13.6179.400000115.1T747 T748G744-T747 VanDerWaalsContact C-OG1 3.24Å; G744-T747 WeakPolarHBondContact CA-OG1 3.43Å; G744-T747 PolarHBondContact O-OG1 2.92Å; G744-T748 PolarHBondContact O-OG1 3.2Å
745W41.6Very low54.5Low212 Ų21276.1 Ų76.180%0.80338%0.38SS*.Hα-helixtrans-81.9-28.2172-84.452.5000113S743 T747 T748 R749S743-W745 PolarHBondContact O-N 2.74Å; W745-T747 VanDerWaalsContact C-N 3.35Å; W745-T748 WeakPolarHBondContact CA-OG1 3.26Å; W745-T748 PolarHBondContact O-OG1 3.28Å; W745-R749 WeakPolarHBondContact O-CB 3.42Å; W745-R749 PolarHBondContact O-N 3.26Å
746D49.7Very low52.6Low39 Ų3979.1 Ų79.121%0.20939%0.394CS..Hα-helixtrans-71.7-31.9174.7-71.5-32.7000111.4K579 M742 S743 R749 R750K579-D746 IonicContact NZ-OD2 2.58Å; K579-D746 PolarHBondContact NZ-OD2 2.85Å; M742-D746 HydrophobicContact CB-CB 4.19Å; M742-D746 HydrophobicContact CG-CB 4.23Å; S743-D746 WeakPolarHBondContact O-CB 3.26Å; S743-D746 PolarHBondContact O-N 3.16Å; S743-D746 PolarHBondContact OG-OD2 2.86Å; D746-R749 PolarHBondContact O-N 2.89Å; D746-R750 WeakPolarHBondContact O-CB 3.24Å; D746-R750 WeakPolarHBondContact O-CG 3.22Å; D746-R750 PolarHBondContact O-N 2.85Å
747T45.3Very low50.4Low72 Ų7284.8 Ų84.844%0.44242%0.42SS..Hα-helixtrans-67.1-45.3174.332.40000111.8G744 W745 R750 Y751G744-T747 VanDerWaalsContact C-OG1 3.24Å; G744-T747 WeakPolarHBondContact CA-OG1 3.43Å; G744-T747 PolarHBondContact O-OG1 2.92Å; W745-T747 VanDerWaalsContact C-N 3.35Å; T747-R750 PolarHBondContact O-N 3.19Å; T747-Y751 PolarHBondContact O-N 3.38Å
748T40Very low48Very low71 Ų7188.5 Ų88.544%0.43644%0.443SS..Hα-helixtrans-63.6-42.1172.532.90000111.4G744 W745 R750 Y751 F752G744-T748 PolarHBondContact O-OG1 3.2Å; W745-T748 WeakPolarHBondContact CA-OG1 3.26Å; W745-T748 PolarHBondContact O-OG1 3.28Å; T748-R750 VanDerWaalsContact C-N 3.32Å; T748-R750 PolarHBondContact O-N 3.38Å; T748-Y751 WeakPolarHBondContact O-CB 3.49Å; T748-Y751 PolarHBondContact O-N 2.9Å; T748-F752 VanDerWaalsContact O-CD2 3.25Å; T748-F752 WeakPolarHBondContact O-CD2 3.45Å; T748-F752 PolarHBondContact O-N 3.42Å
749R45.6Very low45.7Very low112 Ų11291.3 Ų91.342%0.42346%0.462SS..Hα-helixtrans-56.2-43.5172.2-121.4-179.4-170.1174.610.1112.7H480 W745 D746 R753H480-R749 VanDerWaalsContact NE2-CZ 3.31Å; H480-R749 PolarHBondContact NE2-NH2 2.92Å; W745-R749 WeakPolarHBondContact O-CB 3.42Å; W745-R749 PolarHBondContact O-N 3.26Å; D746-R749 PolarHBondContact O-N 2.89Å; R749-R753 WeakPolarHBondContact O-CB 2.97Å; R749-R753 PolarHBondContact O-N 3.17Å
750R48.3Very low44Very low97 Ų9792.3 Ų92.337%0.36647%0.467SS..Hα-helixtrans-68.8-38.1176.6-80.1-175.1-175.1-177.55.7112.6M742 D746 T747 T748 R753 N754M742-R750 PolarHBondContact SD-NH2 3.03Å; M742-R750 VanDerWaalsContact SD-NH2 3.42Å; D746-R750 WeakPolarHBondContact O-CB 3.24Å; D746-R750 WeakPolarHBondContact O-CG 3.22Å; D746-R750 PolarHBondContact O-N 2.85Å; T747-R750 PolarHBondContact O-N 3.19Å; T748-R750 VanDerWaalsContact C-N 3.32Å; T748-R750 PolarHBondContact O-N 3.38Å; R750-R753 PolarHBondContact O-N 2.55Å; R750-N754 WeakPolarHBondContact O-CB 3.21Å; R750-N754 PolarHBondContact O-N 3.2Å; R750-N754 PolarHBondContact O-OD1 2.89Å
751Y45.9Very low42.7Very low150 Ų15097 Ų9759%0.58848%0.482SS*.Hα-helixtrans-58.7-50.6175.2179.4-99.9000111T747 T748 R753 N754 I755T747-Y751 PolarHBondContact O-N 3.38Å; T748-Y751 WeakPolarHBondContact O-CB 3.49Å; T748-Y751 PolarHBondContact O-N 2.9Å; Y751-R753 PolarHBondContact O-N 3.46Å; Y751-N754 PolarHBondContact O-N 3.44Å; Y751-I755 HydrophobicContact CD1-CD1 3.84Å; Y751-I755 HydrophobicContact CE1-CD1 3.34Å; Y751-I755 HydrophobicContact CE2-CD1 4.17Å; Y751-I755 HydrophobicContact CG-CD1 4.45Å; Y751-I755 WeakPolarHBondContact O-CG1 3.38Å; Y751-I755 PolarHBondContact O-N 2.97Å; Y751-I755 VanDerWaalsContact O-N 3.14Å
752F44Very low41.6Very low109 Ų10998.6 Ų98.648%0.47848%0.484SS..Hα-helixtrans-61.7-42.7174.3-77.8-68.5000112.1T748 N754 I755 F756T748-F752 VanDerWaalsContact O-CD2 3.25Å; T748-F752 WeakPolarHBondContact O-CD2 3.45Å; T748-F752 PolarHBondContact O-N 3.42Å; F752-N754 VanDerWaalsContact C-N 3.33Å; F752-N754 PolarHBondContact O-N 2.84Å; F752-I755 PolarHBondContact O-N 3.24Å; F752-F756 HydrophobicContact CD1-CE2 4.25Å; F752-F756 WeakPolarHBondContact O-CD2 3.26Å; F752-F756 PolarHBondContact O-N 3.05Å
753R48.3Very low41Very low153 Ų153101.6 Ų101.658%0.57750%0.497SS*.Hα-helixtrans-60.1-41.5176.2-164.6-178.673.8146.64.5112R749 R750 Y751 F756 H757R749-R753 WeakPolarHBondContact O-CB 2.97Å; R749-R753 PolarHBondContact O-N 3.17Å; R750-R753 PolarHBondContact O-N 2.55Å; Y751-R753 PolarHBondContact O-N 3.46Å; R753-F756 PolarHBondContact O-N 3.43Å; R753-H757 WeakPolarHBondContact O-CA 3.18Å; R753-H757 VanDerWaalsContact O-CB 3.3Å; R753-H757 WeakPolarHBondContact O-CB 3.44Å; R753-H757 PolarHBondContact O-N 3.06Å
754N48.5Very low40Very low96 Ų96106.1 Ų106.151%0.51351%0.505SS..Hα-helixtrans-72-33.5-176.6-72.2-5.8000113R750 Y751 F752 F756R750-N754 WeakPolarHBondContact O-CB 3.21Å; R750-N754 PolarHBondContact O-N 3.2Å; R750-N754 PolarHBondContact O-OD1 2.89Å; Y751-N754 PolarHBondContact O-N 3.44Å; F752-N754 VanDerWaalsContact C-N 3.33Å; F752-N754 PolarHBondContact O-N 2.84Å; N754-F756 VanDerWaalsContact C-N 3.34Å
755I49.7Very low39.4Very low84 Ų84108.3 Ų108.343%0.43150%0.503SS..Hα-helixtrans-64.3-40.6174.6-69.6169.1000110.8Y751 F752Y751-I755 HydrophobicContact CD1-CD1 3.84Å; Y751-I755 HydrophobicContact CE1-CD1 3.34Å; Y751-I755 HydrophobicContact CE2-CD1 4.17Å; Y751-I755 HydrophobicContact CG-CD1 4.45Å; Y751-I755 WeakPolarHBondContact O-CG1 3.38Å; Y751-I755 PolarHBondContact O-N 2.97Å; Y751-I755 VanDerWaalsContact O-N 3.14Å; F752-I755 PolarHBondContact O-N 3.24Å
756F44.7Very low38.6Very low98 Ų98105 Ų10543%0.4350%0.501SS..Hα-helixtrans-96.3-28.8-172.7-65.3-63.9000114.6F752 R753 N754F752-F756 HydrophobicContact CD1-CE2 4.25Å; F752-F756 WeakPolarHBondContact O-CD2 3.26Å; F752-F756 PolarHBondContact O-N 3.05Å; R753-F756 PolarHBondContact O-N 3.43Å; N754-F756 VanDerWaalsContact C-N 3.34Å
757H39.4Very low37.5Very low120 Ų120106.5 Ų106.556%0.55651%0.514SS*.  trans-101.466.9170.8-84.9-94.5000111R753 T759R753-H757 WeakPolarHBondContact O-CA 3.18Å; R753-H757 VanDerWaalsContact O-CB 3.3Å; R753-H757 WeakPolarHBondContact O-CB 3.44Å; R753-H757 PolarHBondContact O-N 3.06Å; H757-T759 PolarHBondContact O-N 3.43Å
758T32Very low36.5Very low88 Ų88108.4 Ų108.454%0.5452%0.522SS..  trans-77.540.3157.651.20000111R364 N760R364-T758 VanDerWaalsContact NH1-C 3.33Å; R364-T758 PolarHBondContact NH1-O 3.28Å; R364-T758 PolarHBondContact NH1-OG1 3.38Å; R364-T758 PolarHBondContact NH2-O 3.13Å; T758-N760 PolarHBondContact O-N 2.75Å; T758-N760 VanDerWaalsContact O-N 3.12Å
759T32.1Very low35.9Very low69 Ų69114.2 Ų114.242%0.42354%0.537SS..  trans-48.7118.9177.5270000111.7H757 R761H757-T759 PolarHBondContact O-N 3.43Å; T759-R761 VanDerWaalsContact C-N 3.33Å; T759-R761 PolarHBondContact O-N 3.35Å
760N31.3Very low34.8Very low66 Ų66115.2 Ų115.235%0.35355%0.551SS.*  trans19.956.8159.5-65.94.9000116.9R364 T758 S762 R764R364-N760 PolarHBondContact NH2-OD1 2.89Å; T758-N760 PolarHBondContact O-N 2.75Å; T758-N760 VanDerWaalsContact O-N 3.12Å; N760-S762 VanDerWaalsContact C-N 3.34Å; N760-R764 VanDerWaalsContact O-CB 3.27Å; N760-R764 WeakPolarHBondContact O-CB 3.37Å; N760-R764 WeakPolarHBondContact O-CG 3.41Å; N760-R764 PolarHBondContact O-N 2.87Å
761R30.4Very low33.6Very low147 Ų147116.4 Ų116.456%0.55556%0.564SS**Hα-helixtrans-72.8-30172.1-136.2177.4-173.1-179.6-3.4111.6T759 L765T759-R761 VanDerWaalsContact C-N 3.33Å; T759-R761 PolarHBondContact O-N 3.35Å; R761-L765 HydrophobicContact CG-CD1 4.16Å; R761-L765 HydrophobicContact CG-CG 4.39Å; R761-L765 VanDerWaalsContact O-CB 3.3Å; R761-L765 WeakPolarHBondContact O-CB 3.28Å; R761-L765 WeakPolarHBondContact O-CD1 3.46Å; R761-L765 VanDerWaalsContact O-CG 3.22Å; R761-L765 WeakPolarHBondContact O-CG 3.15Å; R761-L765 PolarHBondContact O-N 3.03Å
762S28.1Very low32.5Very low98 Ų98112.5 Ų112.569%0.68557%0.57SS**Hα-helixtrans-68.6-33.5176.649.20000113.9N760N760-S762 VanDerWaalsContact C-N 3.34Å
763Q27.8Very low31.7Very low136 Ų136115.8 Ų115.864%0.63658%0.581SS**Hα-helixtrans-92.3-24.2175.4-78.1179.7-23.600113.7S767Q763-S767 PolarHBondContact O-N 3.01Å; Q763-S767 PolarHBondContact O-OG 3.4Å
764R27.3Very low30.4Very low157 Ų157114.8 Ų114.859%0.59259%0.587SS**Hα-helixtrans-80.1-24.4173.3-77.2-174174.3-178.3-2.6113.9N760 N766 S767 N768N760-R764 VanDerWaalsContact O-CB 3.27Å; N760-R764 WeakPolarHBondContact O-CB 3.37Å; N760-R764 WeakPolarHBondContact O-CG 3.41Å; N760-R764 PolarHBondContact O-N 2.87Å; R764-N766 VanDerWaalsContact C-N 3.27Å; R764-N766 PolarHBondContact O-N 3.34Å; R764-S767 WeakPolarHBondContact CA-OG 3.41Å; R764-S767 PolarHBondContact O-N 2.58Å; R764-N768 VanDerWaalsContact O-CB 3.25Å; R764-N768 WeakPolarHBondContact O-CB 3.42Å; R764-N768 PolarHBondContact O-N 3.45Å
765L27.8Very low29.4Very low101 Ų101115 Ų11553%0.52960%0.602SS.*Hα-helixtrans-69.8-26.6172-76.3165.4000112.2R761R761-L765 HydrophobicContact CG-CD1 4.16Å; R761-L765 HydrophobicContact CG-CG 4.39Å; R761-L765 VanDerWaalsContact O-CB 3.3Å; R761-L765 WeakPolarHBondContact O-CB 3.28Å; R761-L765 WeakPolarHBondContact O-CD1 3.46Å; R761-L765 VanDerWaalsContact O-CG 3.22Å; R761-L765 WeakPolarHBondContact O-CG 3.15Å; R761-L765 PolarHBondContact O-N 3.03Å
766N24.4Very low28.1Very low143 Ų143114.3 Ų114.377%0.76562%0.615SS**Hα-helixtrans-87.1-17.6173.9-79.49.1000114.5R764R764-N766 VanDerWaalsContact C-N 3.27Å; R764-N766 PolarHBondContact O-N 3.34Å
767S25.8Very low27Very low69 Ų69114.3 Ų114.348%0.48362%0.624SS.*Hα-helixtrans-103.6-21.8178.4450000114.4Q763 R764Q763-S767 PolarHBondContact O-N 3.01Å; Q763-S767 PolarHBondContact O-OG 3.4Å; R764-S767 WeakPolarHBondContact CA-OG 3.41Å; R764-S767 PolarHBondContact O-N 2.58Å
768N26Very low26.5Very low113 Ų113114.8 Ų114.860%0.60463%0.634SS**SBendtrans-97.23.2179.1-71.1-8.5000114.3R764R764-N768 VanDerWaalsContact O-CB 3.25Å; R764-N768 WeakPolarHBondContact O-CB 3.42Å; R764-N768 PolarHBondContact O-N 3.45Å
769Y25.6Very low26.1Very low193 Ų193117 Ų11776%0.75764%0.64SS**SBendtrans-87.2-10.7173.1-128.4-92.8000113.4
770N23.7Very low25.6Very low132 Ų132121.4 Ų121.471%0.70666%0.661SS**SBendtrans-103.9-0.1-176.3-76.97.3000115.6G772N770-G772 VanDerWaalsContact C-N 3.26Å; N770-G772 PolarHBondContact O-N 3.17Å
771N23.3Very low25.3Very low122 Ų122122.7 Ų122.765%0.65267%0.672SS**  trans-9466164.8-80.4-4.1000109.6Y773N771-Y773 HydrophobicContact CB-CD2 4.21Å; N771-Y773 PolarHBondContact O-N 3.36Å
772G22.4Very low25.2Very low69 Ų69120.4 Ų120.471%0.71167%0.674SS**  trans-66.358.8150.500000109.7N770 N774N770-G772 VanDerWaalsContact C-N 3.26Å; N770-G772 PolarHBondContact O-N 3.17Å; G772-N774 PolarHBondContact O-N 2.75Å; G772-N774 VanDerWaalsContact O-N 3.16Å
773Y26.2Very low25Very low178 Ų178122.9 Ų122.970%0.69868%0.68SS**  trans-64.8112.9153.2-92.6-85.9000105.2N771 A775N771-Y773 HydrophobicContact CB-CD2 4.21Å; N771-Y773 PolarHBondContact O-N 3.36Å; Y773-A775 VanDerWaalsContact C-N 3.26Å; Y773-A775 PolarHBondContact O-N 3.36Å
774N22.9Very low25.1Very low132 Ų132121.9 Ų121.971%0.70669%0.688SS**  trans-29.485.4168.2-68.3-31.6000112.3G772 G776G772-N774 PolarHBondContact O-N 2.75Å; G772-N774 VanDerWaalsContact O-N 3.16Å; N774-G776 PolarHBondContact O-N 3.49Å
775A26.1Very low25Very low100 Ų100122.5 Ų122.583%0.82670%0.699SS**THydrogen-bonded Turntrans-72.83.1157.800000110.6Y773Y773-A775 VanDerWaalsContact C-N 3.26Å; Y773-A775 PolarHBondContact O-N 3.36Å
776G22.9Very low25.2Very low69 Ų69127.3 Ų127.371%0.71172%0.719SS**THydrogen-bonded Turntrans-89.44.617300000115.3N774N774-G776 PolarHBondContact O-N 3.49Å
777T22.5Very low26.2Very low99 Ų99125.7 Ų125.761%0.60771%0.706SS**  trans-135.251.9170.638.20000111.4M779T777-M779 PolarHBondContact O-N 3.38Å
778V28.1Very low27.5Very low129 Ų129127.4 Ų127.478%0.78271%0.709SS**SBend-70.397.6129.4-1800000102.7D780V778-D780 PolarHBondContact O-N 3.45Å; V778-D780 VanDerWaalsContact O-N 3.07Å
779M23.4Very low29.3Very low135 Ų135128.1 Ų128.167%0.66571%0.713SS**  trans-35.6117.6173.9-74.7-88.2-149.700109.3T777 T781T777-M779 PolarHBondContact O-N 3.38Å; M779-T781 HydrophobicContact CB-CG2 3.88Å; M779-T781 WeakPolarHBondContact CB-OG1 3.11Å; M779-T781 HydrophobicContact CG-CG2 4.4Å; M779-T781 PolarHBondContact O-N 3.19Å; M779-T781 HydrophobicContact SD-CG2 4.06Å
780D22.6Very low31.4Very low162 Ų162119.9 Ų119.987%0.86668%0.683SS**  trans-67.164.8155.4-80-31.9000107.2V778V778-D780 PolarHBondContact O-N 3.45Å; V778-D780 VanDerWaalsContact O-N 3.07Å
781T24.2Very low34Very low93 Ų93118 Ų11857%0.57167%0.667SS**  trans-104.465.3165.949.50000107.4M779M779-T781 HydrophobicContact CB-CG2 3.88Å; M779-T781 WeakPolarHBondContact CB-OG1 3.11Å; M779-T781 HydrophobicContact CG-CG2 4.4Å; M779-T781 PolarHBondContact O-N 3.19Å; M779-T781 HydrophobicContact SD-CG2 4.06Å
782T28.2Very low36.5Very low98 Ų98115.5 Ų115.560%0.60165%0.653SS**  trans-133.159.8156.152.50000108.8S784T782-S784 PolarHBondContact O-N 2.92Å
783N24.3Very low39.1Very low151 Ų151112.5 Ų112.581%0.80762%0.62SS**  trans-59124.7153.3-85.9-22.7000108.1
784S29.2Very low41.3Very low114 Ų114107.1 Ų107.180%0.79760%0.604SS**SBendtrans53.170.4154.867.80000117.6T782T782-S784 PolarHBondContact O-N 2.92Å
785M25.5Very low43.6Very low171 Ų171104.2 Ų104.284%0.84259%0.591SS**  trans-144.6140.1137.8-95.8-163.9152.100107.5E787M785-E787 PolarHBondContact O-N 2.93Å
786H32.3Very low45.8Very low202 Ų202102.8 Ų102.894%0.93558%0.575SS**  trans-60.380.5174.3-85.5-85.4000110.2I788H786-I788 PolarHBondContact O-N 2.9Å
787E45.3Very low48.4Very low108 Ų108104.6 Ų104.651%0.50556%0.563SS.*  trans-71118.6175.6-81.7-167168.800109.3R629 M785 N789R629-E787 IonicContact NH2-OE2 3.76Å; M785-E787 PolarHBondContact O-N 2.93Å; E787-N789 PolarHBondContact O-N 3.32Å
788I52.6Low51.2Low106 Ų106101.9 Ų101.954%0.54455%0.551SS.*  trans-65.3104.9170.3-60.8170.2000107.3R735 H786 P790R735-I788 HydrophobicContact CG-CG2 4.3Å; H786-I788 PolarHBondContact O-N 2.9Å; I788-P790 WeakPolarHBondContact O-CD 3.19Å
789N64.5Low54Low128 Ų12896 Ų9668%0.68452%0.515SS*.PPolyproline II helixtrans-63.5122.4173-83.8-34.8000109.5E787 Y791E787-N789 PolarHBondContact O-N 3.32Å; N789-Y791 PolarHBondContact O-N 2.86Å
790P69.1Low57.2Low19 Ų1990.6 Ų90.612%0.12349%0.488CS..PPolyproline II helixtrans-64.8134.4178.226.5-34.3000109R735 I737 I788R735-P790 CarbonylContact O-C 3.54Å; R735-P790 WeakPolarHBondContact O-CA 3.47Å; R735-P790 WeakPolarHBondContact O-CB 3.19Å; I737-P790 HydrophobicContact CD1-CB 4.34Å; I737-P790 HydrophobicContact CD1-CG 4.08Å; I737-P790 HydrophobicContact CG1-CB 4.33Å; I788-P790 WeakPolarHBondContact O-CD 3.19Å
791Y78Confident60.6Low92 Ų9282.9 Ų82.936%0.36145%0.446SS..EExtended strand (participates in β ladder)trans-87.6143.817966.4-85.6000110.3R735 V736 I737 N789 P983R735-Y791 HydrophobicContact CB-CE1 4.43Å; R735-Y791 WeakPolarHBondContact O-CD1 3.49Å; R735-Y791 WeakPolarHBondContact O-CE1 3.31Å; R735-Y791 PolarHBondContact O-N 2.89Å; V736-Y791 WeakPolarHBondContact CA-O 3.33Å; V736-Y791 HydrophobicContact CB-CE1 4.44Å; V736-Y791 HydrophobicContact CG2-CE2 4.07Å; I737-Y791 PolarHBondContact N-O 3.42Å; N789-Y791 PolarHBondContact O-N 2.86Å; Y791-P983 WeakPolarHBondContact OH-CD 3.39Å
792I76.8Confident64Low70 Ų7078.4 Ų78.436%0.35942%0.419SS..EExtended strand (participates in β ladder)trans-83.9134.2172.4-60.9169.2000107.6E633 I737 D794E633-I792 HydrophobicContact CG-CD1 4.15Å; I737-I792 HydrophobicContact CB-CG1 4.25Å; I792-D794 PolarHBondContact O-N 3.02Å
793V76.5Confident67.1Low6 Ų673.8 Ų73.84%0.03639%0.39CS..  trans-66104.5175.3-175.50000109.4V736 I737 F738 T795 I799 W853 T951V736-V793 HydrophobicContact CG2-CG2 3.35Å; I737-V793 PolarHBondContact O-N 3.34Å; I737-V793 VanDerWaalsContact O-N 3.17Å; F738-V793 HydrophobicContact CD1-CG2 3.87Å; F738-V793 HydrophobicContact CE1-CG2 3.98Å; V793-T795 PolarHBondContact O-N 3.03Å; V793-I799 HydrophobicContact CG1-CD1 3.64Å; V793-I799 HydrophobicContact CG1-CG1 4.36Å; V793-W853 HydrophobicContact CG1-CH2 4.46Å; V793-W853 HydrophobicContact CG1-CZ3 4.41Å; V793-T951 HydrophobicContact CG1-CG2 4.3Å; V793-T951 HydrophobicContact CG2-CG2 3.91Å
794D72.6Confident70.4Confident65 Ų6566.8 Ų66.835%0.34835%0.353SS..  trans-58.8126.2177.6-168-14.8000110.7I792 S796 K797I792-D794 PolarHBondContact O-N 3.02Å; D794-S796 VanDerWaalsContact C-N 3.33Å; D794-S796 VanDerWaalsContact CG-OG 3.23Å; D794-S796 WeakPolarHBondContact OD1-CB 3.32Å; D794-S796 PolarHBondContact OD1-N 3.23Å; D794-S796 PolarHBondContact OD1-OG 3.39Å; D794-S796 PolarHBondContact OD2-OG 3.07Å; D794-K797 HydrophobicContact CB-CB 4.48Å; D794-K797 HydrophobicContact CB-CD 4.23Å; D794-K797 HydrophobicContact CB-CG 4.39Å; D794-K797 WeakPolarHBondContact OD2-CD 3.21Å; D794-K797 WeakPolarHBondContact OD2-CE 3.34Å; D794-K797 IonicContact OD2-NZ 2.82Å
795T71.5Confident73.3Confident71 Ų7161.3 Ų61.344%0.43632%0.315SS..SBendtrans-83.6-13.1-178.260.20000112.9V793V793-T795 PolarHBondContact O-N 3.03Å
796S71.3Confident76.2Confident71 Ų7153.4 Ų53.450%0.49728%0.276SS..SBendtrans-87.3-20.6-179.370.30000113.6D794 H858D794-S796 VanDerWaalsContact C-N 3.33Å; D794-S796 VanDerWaalsContact CG-OG 3.23Å; D794-S796 WeakPolarHBondContact OD1-CB 3.32Å; D794-S796 PolarHBondContact OD1-N 3.23Å; D794-S796 PolarHBondContact OD1-OG 3.39Å; D794-S796 PolarHBondContact OD2-OG 3.07Å; S796-H858 PolarHBondContact O-CD2 2.94Å; S796-H858 VanDerWaalsContact O-CD2 3.31Å
797K78.1Confident78.8Confident107 Ų10744.8 Ų44.847%0.46524%0.237SC..SBendtrans-96.3154.9-175.6-67177.7-176.7171.60112.2D794D794-K797 HydrophobicContact CB-CB 4.48Å; D794-K797 HydrophobicContact CB-CD 4.23Å; D794-K797 HydrophobicContact CB-CG 4.39Å; D794-K797 WeakPolarHBondContact OD2-CD 3.21Å; D794-K797 WeakPolarHBondContact OD2-CE 3.34Å; D794-K797 IonicContact OD2-NZ 2.82Å
798A80.5Confident80.5Confident41 Ų4140.1 Ų40.134%0.33922%0.215SC..  trans-67.2135.3168.100000110.2F800 N949A798-F800 HydrophobicContact CB-CE2 4.25Å; A798-F800 HydrophobicContact CB-CZ 4.36Å; A798-N949 WeakPolarHBondContact O-CB 3.38Å; A798-N949 PolarHBondContact O-ND2 3.35Å
799I86.8Confident81.8Confident5 Ų537.1 Ų37.13%0.02620%0.2CC..  trans-113.3141.3-174.8-64.4167.7000108.9V793 F801 W853 P860 K861 T951V793-I799 HydrophobicContact CG1-CD1 3.64Å; V793-I799 HydrophobicContact CG1-CG1 4.36Å; I799-F801 HydrophobicContact CG2-CE1 4.46Å; I799-W853 HydrophobicContact CD1-CZ3 3.99Å; I799-W853 HydrophobicContact CG2-CZ3 4.33Å; I799-P860 HydrophobicContact CB-CB 4.41Å; I799-P860 HydrophobicContact CG2-CB 4.11Å; I799-P860 CarbonylContact O-C 3.52Å; I799-P860 VanDerWaalsContact O-CA 3.28Å; I799-P860 WeakPolarHBondContact O-CA 3.44Å; I799-K861 PolarHBondContact O-N 2.93Å; I799-T951 HydrophobicContact CG2-CG2 4.43Å; I799-T951 WeakPolarHBondContact CG2-OG1 3.24Å
800F91.6Very high82.3Confident22 Ų2235 Ų3510%0.09619%0.186CC..EExtended strand (participates in β ladder)trans-120.9141-179-60-88.1000111.4A798 K861 R863 H947 N949 T950 T951A798-F800 HydrophobicContact CB-CE2 4.25Å; A798-F800 HydrophobicContact CB-CZ 4.36Å; F800-K861 WeakPolarHBondContact CA-O 3.37Å; F800-K861 HydrophobicContact CD1-CB 3.82Å; F800-K861 HydrophobicContact CD1-CD 4.43Å; F800-K861 HydrophobicContact CE1-CB 4.01Å; F800-K861 HydrophobicContact CE1-CD 3.76Å; F800-K861 HydrophobicContact CE1-CG 4.44Å; F800-K861 HydrophobicContact CZ-CD 4.45Å; F800-R863 HydrophobicContact CD1-CG 4.07Å; F800-H947 HydrophobicContact CD2-CB 4.19Å; F800-H947 AromaticContact CD2-CE1 3.78Å; F800-H947 AromaticContact CD2-CG 3.68Å; F800-H947 AromaticContact CD2-ND1 3.33Å; F800-H947 VanDerWaalsContact CD2-ND1 3.33Å; F800-H947 WeakPolarHBondContact CD2-ND1 3.46Å; F800-H947 AromaticContact CE2-CD2 3.93Å; F800-H947 AromaticContact CE2-CE1 3.38Å; F800-H947 WeakPolarHBondContact CE2-CE1 3.43Å; F800-H947 AromaticContact CE2-CG 3.83Å; F800-H947 AromaticContact CE2-ND1 3.44Å; F800-H947 WeakPolarHBondContact CE2-ND1 3.26Å; F800-H947 AromaticContact CE2-NE2 3.67Å; F800-H947 HydrophobicContact CG-CB 4.42Å; F800-N949 HydrophobicContact CD2-CB 4.31Å; F800-N949 PolarHBondContact N-O 2.94Å; F800-T950 WeakPolarHBondContact O-CA 3.39Å; F800-T951 PolarHBondContact O-N 3.48Å
801F94.1Very high82.3Confident0 Ų035.6 Ų35.60%019%0.186CC..EExtended strand (participates in β ladder)trans-115.2119.3164.4-65.9-28.8000109.2F534 I799 V847 A848 W853 P860 K861 L862 R863 T951 A952 F954F534-F801 HydrophobicContact CE2-CE1 4.42Å; F534-F801 HydrophobicContact CE2-CZ 4.38Å; I799-F801 HydrophobicContact CG2-CE1 4.46Å; F801-V847 HydrophobicContact CD2-CG1 4.47Å; F801-V847 HydrophobicContact CE2-CB 3.93Å; F801-V847 HydrophobicContact CE2-CG1 3.48Å; F801-V847 VanDerWaalsContact CE2-CG1 3.48Å; F801-V847 HydrophobicContact CZ-CG1 3.67Å; F801-A848 HydrophobicContact CD2-CB 4.21Å; F801-A848 HydrophobicContact CE2-CB 4.3Å; F801-W853 AromaticContact CZ-CD2 3.95Å; F801-W853 HydrophobicContact CZ-CD2 3.95Å; F801-W853 AromaticContact CZ-CE2 3.89Å; F801-W853 HydrophobicContact CZ-CE3 4.19Å; F801-W853 HydrophobicContact CZ-CG 4.44Å; F801-W853 HydrophobicContact CZ-CH2 4.39Å; F801-W853 HydrophobicContact CZ-CZ2 4.13Å; F801-W853 HydrophobicContact CZ-CZ3 4.4Å; F801-P860 HydrophobicContact CD2-CB 3.93Å; F801-P860 HydrophobicContact CD2-CG 4.18Å; F801-P860 HydrophobicContact CE2-CB 3.76Å; F801-P860 HydrophobicContact CE2-CG 3.7Å; F801-P860 HydrophobicContact CG-CB 4.4Å; F801-P860 HydrophobicContact CZ-CB 4.11Å; F801-P860 HydrophobicContact CZ-CG 4.26Å; F801-K861 PolarHBondContact N-O 3.06Å; F801-L862 HydrophobicContact CB-CD2 3.79Å; F801-L862 HydrophobicContact CD2-CD2 3.9Å; F801-L862 HydrophobicContact CG-CD2 4.36Å; F801-L862 WeakPolarHBondContact O-CA 3.29Å; F801-R863 PolarHBondContact O-N 3.42Å; F801-T951 HydrophobicContact CE1-CG2 4.25Å; F801-A952 WeakPolarHBondContact CA-O 3.32Å; F801-A952 HydrophobicContact CD1-CB 3.69Å; F801-A952 HydrophobicContact CE1-CB 3.78Å; F801-F954 HydrophobicContact CB-CE2 4.14Å; F801-F954 HydrophobicContact CG-CE2 4.27Å
802D94.6Very high81.7Confident0 Ų033.4 Ų33.40%018%0.178CC..EExtended strand (participates in β ladder)trans-99.8137.1-175.3-67.4-14.9000109.5R863 F865 C946 T950 A952 L953 F954D802-R863 CarbonylContact C-O 3.56Å; D802-R863 WeakPolarHBondContact CA-O 3.35Å; D802-R863 IonicContact OD1-CZ 2.74Å; D802-R863 IonicContact OD1-NE 3.66Å; D802-R863 PolarHBondContact OD1-NE 2.97Å; D802-R863 IonicContact OD1-NH2 3.16Å; D802-R863 PolarHBondContact OD1-NH2 3.38Å; D802-R863 IonicContact OD2-CZ 3.15Å; D802-R863 IonicContact OD2-NH2 2.78Å; D802-R863 PolarHBondContact OD2-NH2 3.48Å; D802-F865 HydrophobicContact CB-CD2 4.37Å; D802-F865 HydrophobicContact CB-CE2 3.76Å; D802-C946 PolarHBondContact OD2-SG 3.34Å; D802-C946 VanDerWaalsContact OD2-SG 3.35Å; D802-T950 HydrophobicContact CB-CG2 4.08Å; D802-T950 VanDerWaalsContact OD2-CG2 3.3Å; D802-T950 WeakPolarHBondContact OD2-CG2 3.37Å; D802-T950 PolarHBondContact OD2-OG1 3.36Å; D802-A952 PolarHBondContact N-O 3.06Å; D802-L953 HydrophobicContact CB-CD1 3.44Å; D802-L953 VanDerWaalsContact CB-CD1 3.44Å; D802-L953 CarbonylContact O-C 3.55Å; D802-L953 WeakPolarHBondContact O-CA 3.45Å; D802-F954 PolarHBondContact O-N 3.12Å
803I94.6Very high81Confident0 Ų032.2 Ų32.20%018%0.183CC..EExtended strand (participates in β ladder)trans-132.7126.8-172.4-46.9159.8000108.8P805 L840 L841 A844 L862 R863 A864 F865 F954I803-P805 WeakPolarHBondContact O-CD 3.29Å; I803-L840 HydrophobicContact CG2-CB 4.21Å; I803-L841 HydrophobicContact CD1-CD2 4.17Å; I803-L841 HydrophobicContact CG2-CD2 4.07Å; I803-A844 HydrophobicContact CD1-CB 3.32Å; I803-A844 HydrophobicContact CG1-CB 3.57Å; I803-L862 HydrophobicContact CD1-CB 4.32Å; I803-L862 HydrophobicContact CD1-CD2 4.44Å; I803-R863 PolarHBondContact N-O 3.19Å; I803-A864 WeakPolarHBondContact O-CA 3.35Å; I803-F865 PolarHBondContact O-N 2.94Å; I803-F954 WeakPolarHBondContact CA-O 3.5Å; I803-F954 HydrophobicContact CB-CB 4.46Å; I803-F954 HydrophobicContact CG1-CB 4.39Å; I803-F954 HydrophobicContact CG1-CD2 4.27Å; I803-F954 HydrophobicContact CG2-CB 4.15Å
804W93.7Very high80.1Confident4 Ų433.6 Ų33.62%0.01520%0.198CC..EExtended strand (participates in β ladder)trans-11688.6172.1-66.377.7000108.5I806 L808 F865 V909 L941 V942 F954 L955 Y956W804-I806 PolarHBondContact O-N 2.99Å; W804-L808 HydrophobicContact CB-CD1 4.5Å; W804-L808 HydrophobicContact CD2-CD1 4.17Å; W804-L808 HydrophobicContact CE3-CD1 3.82Å; W804-L808 HydrophobicContact CE3-CD2 3.75Å; W804-L808 HydrophobicContact CE3-CG 4.22Å; W804-L808 HydrophobicContact CG-CD1 4.49Å; W804-L808 HydrophobicContact CZ3-CD1 4.37Å; W804-L808 HydrophobicContact CZ3-CD2 3.98Å; W804-F865 HydrophobicContact CD2-CB 3.6Å; W804-F865 HydrophobicContact CD2-CG 4.31Å; W804-F865 AromaticContact CE2-CD2 3.97Å; W804-F865 AromaticContact CE2-CG 3.77Å; W804-F865 HydrophobicContact CE3-CB 3.71Å; W804-F865 HydrophobicContact CG-CB 4.25Å; W804-F865 HydrophobicContact CH2-CB 3.87Å; W804-F865 HydrophobicContact CH2-CD1 4.49Å; W804-F865 HydrophobicContact CH2-CG 4.31Å; W804-F865 HydrophobicContact CZ2-CB 3.71Å; W804-F865 HydrophobicContact CZ2-CD1 4.11Å; W804-F865 HydrophobicContact CZ2-CD2 4.32Å; W804-F865 AromaticContact CZ2-CG 3.79Å; W804-F865 HydrophobicContact CZ2-CG 3.79Å; W804-F865 HydrophobicContact CZ3-CB 3.86Å; W804-F865 AromaticContact NE1-CD2 3.72Å; W804-V909 HydrophobicContact CH2-CB 4.41Å; W804-V909 HydrophobicContact CH2-CG1 4.13Å; W804-V909 HydrophobicContact CH2-CG2 3.78Å; W804-V909 HydrophobicContact CZ3-CB 4.48Å; W804-V909 HydrophobicContact CZ3-CG1 4.36Å; W804-V909 HydrophobicContact CZ3-CG2 4.13Å; W804-L941 HydrophobicContact CH2-CD2 3.46Å; W804-L941 VanDerWaalsContact CH2-CD2 3.46Å; W804-L941 HydrophobicContact CZ2-CD2 4.34Å; W804-L941 HydrophobicContact CZ3-CD2 4.05Å; W804-V942 HydrophobicContact CD2-CG2 4.31Å; W804-V942 HydrophobicContact CH2-CG2 4.4Å; W804-V942 HydrophobicContact CZ2-CB 4.39Å; W804-V942 HydrophobicContact CZ2-CG2 4Å; W804-F954 PolarHBondContact N-O 2.95Å; W804-L955 HydrophobicContact CB-CD2 3.67Å; W804-L955 VanDerWaalsContact CD1-CD2 3.47Å; W804-L955 HydrophobicContact CG-CD2 3.67Å; W804-Y956 PolarHBondContact O-N 3.45Å
805P89Confident79Confident0 Ų035 Ų350%021%0.209CC..  trans-80.610-171.534.4-36.3000114I803 G837 L841 F865 F866I803-P805 WeakPolarHBondContact O-CD 3.29Å; P805-G837 WeakPolarHBondContact O-CA 3.33Å; P805-L841 HydrophobicContact CB-CD1 4.26Å; P805-L841 HydrophobicContact CB-CD2 4.49Å; P805-L841 HydrophobicContact CB-CG 4.04Å; P805-L841 HydrophobicContact CG-CD2 4.5Å; P805-F865 WeakPolarHBondContact CD-O 3.47Å; P805-F866 HydrophobicContact CG-CD1 3.99Å; P805-F866 HydrophobicContact CG-CE1 3.34Å; P805-F866 HydrophobicContact CG-CZ 3.71Å
806I87.7Confident77.8Confident5 Ų534.6 Ų34.63%0.02620%0.204CC..SBendtrans-120.7145.7-177.7-69.2164.3000109.2W804 L808 F811 F866 P867 Y956W804-I806 PolarHBondContact O-N 2.99Å; I806-L808 PolarHBondContact O-N 3.49Å; I806-F811 HydrophobicContact CG2-CB 4.3Å; I806-F811 HydrophobicContact CG2-CD2 4.43Å; I806-F866 HydrophobicContact CD1-CB 4.49Å; I806-F866 HydrophobicContact CD1-CD1 3.7Å; I806-P867 HydrophobicContact CD1-CG 4.24Å; I806-P867 HydrophobicContact CG2-CG 4.39Å; I806-Y956 WeakPolarHBondContact O-CB 3.47Å
807N85.8Confident76.3Confident21 Ų2137.4 Ų37.411%0.11221%0.214CC..  trans-67.294.4173-171.9-3.9000110.7L809 E810 F811 Y956N807-L809 VanDerWaalsContact C-N 3.27Å; N807-L809 PolarHBondContact O-N 3.42Å; N807-L809 PolarHBondContact OD1-N 3.16Å; N807-E810 HydrophobicContact CB-CB 4.07Å; N807-E810 VanDerWaalsContact ND2-CB 3.32Å; N807-E810 WeakPolarHBondContact ND2-CB 3.3Å; N807-E810 PolarHBondContact ND2-OE2 3.32Å; N807-E810 PolarHBondContact O-N 2.83Å; N807-E810 PolarHBondContact OD1-N 3.02Å; N807-F811 WeakPolarHBondContact O-CB 3.39Å; N807-F811 PolarHBondContact O-N 2.74Å; N807-Y956 HydrophobicContact CB-CD1 3.72Å; N807-Y956 HydrophobicContact CB-CD2 4.19Å; N807-Y956 HydrophobicContact CB-CE1 3.78Å; N807-Y956 HydrophobicContact CB-CE2 4.17Å; N807-Y956 HydrophobicContact CB-CG 3.97Å
808L82.1Confident74.7Confident9 Ų935.3 Ų35.35%0.04721%0.211CC..Hα-helixtrans-61.1-33.9-177.8-71.6175.6000113.3W804 I806 Y812 L938 V942W804-L808 HydrophobicContact CB-CD1 4.5Å; W804-L808 HydrophobicContact CD2-CD1 4.17Å; W804-L808 HydrophobicContact CE3-CD1 3.82Å; W804-L808 HydrophobicContact CE3-CD2 3.75Å; W804-L808 HydrophobicContact CE3-CG 4.22Å; W804-L808 HydrophobicContact CG-CD1 4.49Å; W804-L808 HydrophobicContact CZ3-CD1 4.37Å; W804-L808 HydrophobicContact CZ3-CD2 3.98Å; I806-L808 PolarHBondContact O-N 3.49Å; L808-Y812 VanDerWaalsContact O-CB 3.24Å; L808-Y812 WeakPolarHBondContact O-CB 3.46Å; L808-Y812 PolarHBondContact O-N 3.28Å; L808-L938 HydrophobicContact CB-CD1 4.26Å; L808-L938 HydrophobicContact CB-CD2 4.33Å; L808-V942 HydrophobicContact CD1-CG2 3.85Å
809L78.5Confident72.7Confident44 Ų4437.1 Ų37.123%0.2322%0.219CC..Hα-helixtrans-67.7-45.5-178.6-67.6161.8000111N807 G813 I935 L938 P958N807-L809 VanDerWaalsContact C-N 3.27Å; N807-L809 PolarHBondContact O-N 3.42Å; N807-L809 PolarHBondContact OD1-N 3.16Å; L809-G813 PolarHBondContact O-N 3.27Å; L809-I935 HydrophobicContact CD2-CD1 4.05Å; L809-I935 HydrophobicContact CD2-CG1 3.62Å; L809-L938 HydrophobicContact CD2-CD1 4Å; L809-P958 HydrophobicContact CD1-CB 4.06Å; L809-P958 HydrophobicContact CD1-CG 3.61Å
810E75.4Confident70.5Confident83 Ų8343 Ų4339%0.38826%0.261SS..Hα-helixtrans-72.5-41.5179.2-169.5179.7177.900112.1N807 Y812 G813 G814 T815 L816N807-E810 HydrophobicContact CB-CB 4.07Å; N807-E810 VanDerWaalsContact ND2-CB 3.32Å; N807-E810 WeakPolarHBondContact ND2-CB 3.3Å; N807-E810 PolarHBondContact ND2-OE2 3.32Å; N807-E810 PolarHBondContact O-N 2.83Å; N807-E810 PolarHBondContact OD1-N 3.02Å; E810-Y812 PolarHBondContact O-N 3.26Å; E810-G813 PolarHBondContact O-N 3.42Å; E810-G814 PolarHBondContact O-N 2.87Å; E810-T815 WeakPolarHBondContact CG-OG1 3.35Å; E810-T815 PolarHBondContact O-OG1 2.85Å; E810-L816 HydrophobicContact CB-CD1 4.38Å; E810-L816 HydrophobicContact CG-CD1 4.1Å
811F68.5Low68Low31 Ų3146.7 Ų46.714%0.13629%0.289CS..Hα-helixtrans-60.9-44.7176.6-174.5-87.6000111.8I806 N807 G814 L816 P867 L869 M911I806-F811 HydrophobicContact CG2-CB 4.3Å; I806-F811 HydrophobicContact CG2-CD2 4.43Å; N807-F811 WeakPolarHBondContact O-CB 3.39Å; N807-F811 PolarHBondContact O-N 2.74Å; F811-G814 PolarHBondContact O-N 3.08Å; F811-L816 HydrophobicContact CB-CD1 4.17Å; F811-L816 HydrophobicContact CD2-CD1 4.36Å; F811-P867 HydrophobicContact CD1-CB 3.88Å; F811-P867 HydrophobicContact CD1-CG 3.82Å; F811-P867 HydrophobicContact CD2-CG 4.02Å; F811-P867 HydrophobicContact CE1-CB 3.48Å; F811-P867 VanDerWaalsContact CE1-CB 3.48Å; F811-P867 HydrophobicContact CE1-CG 3.73Å; F811-P867 HydrophobicContact CE2-CB 4.44Å; F811-P867 HydrophobicContact CE2-CG 3.91Å; F811-P867 HydrophobicContact CG-CG 3.96Å; F811-P867 HydrophobicContact CZ-CB 3.78Å; F811-P867 HydrophobicContact CZ-CG 3.76Å; F811-L869 HydrophobicContact CE2-CD2 3.94Å; F811-L869 HydrophobicContact CE2-CG 4.39Å; F811-L869 HydrophobicContact CZ-CD2 4.43Å; F811-M911 HydrophobicContact CE1-CG 4.09Å
812Y65.7Low65.2Low47 Ų4750.5 Ų50.518%0.18432%0.316CS..Hα-helixtrans-72.5-34.9-180-168.7-93000112.8L808 E810 G814 M911 M916 R934 Y937 L938L808-Y812 VanDerWaalsContact O-CB 3.24Å; L808-Y812 WeakPolarHBondContact O-CB 3.46Å; L808-Y812 PolarHBondContact O-N 3.28Å; E810-Y812 PolarHBondContact O-N 3.26Å; Y812-G814 PolarHBondContact O-N 3.49Å; Y812-G814 VanDerWaalsContact O-N 3.17Å; Y812-M911 HydrophobicContact CD2-CE 3.68Å; Y812-M911 HydrophobicContact CE2-CE 4.37Å; Y812-M916 WeakPolarHBondContact OH-CE 3.29Å; Y812-R934 HydrophobicContact CD1-CB 4.08Å; Y812-R934 HydrophobicContact CD1-CG 4.18Å; Y812-R934 HydrophobicContact CE1-CB 3.9Å; Y812-R934 HydrophobicContact CE1-CG 3.71Å; Y812-Y937 AromaticContact CE2-CD1 3.98Å; Y812-Y937 HydrophobicContact CE2-CD1 3.98Å; Y812-Y937 AromaticContact CE2-CE1 3.88Å; Y812-Y937 HydrophobicContact CE2-CE1 3.88Å; Y812-L938 HydrophobicContact CD2-CD2 4.25Å; Y812-L938 HydrophobicContact CG-CD2 4.3Å
813G63Low62.7Low45 Ų4556.9 Ų56.946%0.46436%0.361SS..Hα-helixtrans-64.5-11.6176.300000114.7L809 E810 T815L809-G813 PolarHBondContact O-N 3.27Å; E810-G813 PolarHBondContact O-N 3.42Å; G813-T815 VanDerWaalsContact C-N 3.34Å
814G57.6Low60.3Low34 Ų3460.3 Ų60.335%0.35139%0.385SS..THydrogen-bonded Turntrans79.511.2177.300000114.5E810 F811 Y812 N817E810-G814 PolarHBondContact O-N 2.87Å; F811-G814 PolarHBondContact O-N 3.08Å; Y812-G814 PolarHBondContact O-N 3.49Å; Y812-G814 VanDerWaalsContact O-N 3.17Å; G814-N817 PolarHBondContact O-OD1 2.98Å
815T48.9Very low58.1Low95 Ų9565.5 Ų65.558%0.58341%0.409SS*.  trans-81.4-19.5177.549.90000112.9E810 G813 N817E810-T815 WeakPolarHBondContact CG-OG1 3.35Å; E810-T815 PolarHBondContact O-OG1 2.85Å; G813-T815 VanDerWaalsContact C-N 3.34Å; T815-N817 PolarHBondContact O-N 2.72Å
816L45.5Very low56Low62 Ų6271.9 Ų71.933%0.32544%0.438SS..  trans-72.965.7163.5-103.5135.4000109.8E810 F811 P818E810-L816 HydrophobicContact CB-CD1 4.38Å; E810-L816 HydrophobicContact CG-CD1 4.1Å; F811-L816 HydrophobicContact CB-CD1 4.17Å; F811-L816 HydrophobicContact CD2-CD1 4.36Å; L816-P818 WeakPolarHBondContact O-CD 3.47Å
817N41.6Very low54.4Low131 Ų13172.6 Ų72.670%0.70145%0.447SS*.PPolyproline II helixtrans-70.9118.5165.4-76.3-33.4000107.3G814 T815G814-N817 PolarHBondContact O-OD1 2.98Å; T815-N817 PolarHBondContact O-N 2.72Å
818P44.3Very low53.1Low62 Ų6273.2 Ų73.240%0.40345%0.45SS..PPolyproline II helixtrans-56.3135.9169.624.3-31.1000107.6L816 S820 T871L816-P818 WeakPolarHBondContact O-CD 3.47Å; P818-S820 PolarHBondContact O-N 3.33Å; P818-T871 HydrophobicContact CG-CG2 4.22Å
819P38.3Very low52.2Low79 Ų7973 Ų7351%0.51345%0.449SS..PPolyproline II helixtrans-54.1120.1178.221.1-30.8000108.2S821P819-S821 PolarHBondContact O-N 3.23Å
820S40.2Very low51.3Low130 Ų13079 Ų7991%0.90947%0.473SS*.SBendtrans-70.620.1-173.451.40000113.7P818P818-S820 PolarHBondContact O-N 3.33Å
821S38.3Very low50.7Low99 Ų9981.1 Ų81.169%0.69248%0.483SS*.  trans-151.871.7-171.4630000112.4P819P819-S821 PolarHBondContact O-N 3.23Å
822S35.2Very low50.6Low80 Ų8080.6 Ų80.656%0.55948%0.484SS*.  trans-171.8121.5146.253.10000109.6S824S822-S824 PolarHBondContact O-N 3.42Å
823S43.5Very low51.3Low134 Ų13479 Ų7994%0.93748%0.478SS*.SBendtrans-66.329.9-174.943.60000115.9
824S42.8Very low52.3Low72 Ų7279.6 Ų79.650%0.50347%0.471SS..  trans-130.4104.2172.958.10000110.2S822 E826S822-S824 PolarHBondContact O-N 3.42Å; S824-E826 PolarHBondContact O-N 3.14Å
825H47.8Very low53.7Low112 Ų11284.1 Ų84.152%0.51948%0.478SS..THydrogen-bonded Turntrans-62.815.2167.8-70.5-89.6000113.1G827 I828H825-G827 PolarHBondContact O-N 3.45Å; H825-I828 HydrophobicContact CB-CD1 4.25Å
826E46.2Very low55.8Low134 Ų13479.7 Ų79.763%0.62645%0.451SS*.THydrogen-bonded Turntrans-89.97-164.7-129.9160-135.100115.1S824 K888 Q892S824-E826 PolarHBondContact O-N 3.14Å; E826-K888 IonicContact OE1-NZ 3.24Å; E826-K888 PolarHBondContact OE1-NZ 3.35Å; E826-Q892 VanDerWaalsContact C-NE2 3.26Å; E826-Q892 PolarHBondContact O-NE2 2.93Å; E826-Q892 VanDerWaalsContact O-NE2 3.1Å
827G54.2Low57.9Low20 Ų2076.8 Ų76.821%0.20644%0.435CS..SBendtrans-15114.3-177.400000116.4H825 Y829 K830 Q831H825-G827 PolarHBondContact O-N 3.45Å; G827-Y829 PolarHBondContact O-N 3.3Å; G827-K830 WeakPolarHBondContact O-CA 3.38Å; G827-K830 WeakPolarHBondContact O-CB 3.12Å; G827-K830 PolarHBondContact O-N 2.7Å; G827-Q831 PolarHBondContact O-N 3.01Å
828I58.5Low60.2Low34 Ų3472.6 Ų72.617%0.17441%0.413CS..Hα-helixtrans-58.8-46.8-169.2-55.8172.4000112H825 K830 Q831 A832 L869H825-I828 HydrophobicContact CB-CD1 4.25Å; I828-K830 VanDerWaalsContact C-N 3.34Å; I828-K830 PolarHBondContact O-N 3.34Å; I828-Q831 PolarHBondContact O-N 3.41Å; I828-A832 PolarHBondContact O-N 2.67Å; I828-L869 HydrophobicContact CB-CD1 4.32Å; I828-L869 HydrophobicContact CG2-CD1 3.54Å; I828-L869 HydrophobicContact CG2-CD2 3.97Å; I828-L869 HydrophobicContact CG2-CG 4.41Å
829Y63.3Low62.5Low6 Ų669.7 Ų69.72%0.02439%0.394CS..Hα-helixtrans-71.6-26.9176-73.4-78.7000113.7G827 Q831 A832 I833 F866 P867 L869 M872 A889 L893G827-Y829 PolarHBondContact O-N 3.3Å; Y829-Q831 PolarHBondContact O-N 3.4Å; Y829-A832 PolarHBondContact O-N 2.94Å; Y829-I833 WeakPolarHBondContact O-CG1 3.32Å; Y829-I833 PolarHBondContact O-N 2.95Å; Y829-F866 HydrophobicContact CD1-CD1 4.44Å; Y829-F866 HydrophobicContact CE1-CB 4.11Å; Y829-P867 PolarHBondContact OH-O 3.48Å; Y829-P867 VanDerWaalsContact OH-O 3.12Å; Y829-L869 HydrophobicContact CD2-CD1 4.43Å; Y829-L869 HydrophobicContact CE1-CD1 4.25Å; Y829-L869 HydrophobicContact CE2-CD1 3.78Å; Y829-M872 HydrophobicContact CE2-CE 3.83Å; Y829-A889 HydrophobicContact CD2-CB 4.07Å; Y829-A889 HydrophobicContact CE2-CB 3.52Å; Y829-L893 HydrophobicContact CD1-CD1 4.3Å; Y829-L893 HydrophobicContact CD1-CD2 4.22Å; Y829-L893 HydrophobicContact CD2-CD1 4.39Å; Y829-L893 HydrophobicContact CD2-CG 4.42Å; Y829-L893 HydrophobicContact CE1-CD1 4.41Å; Y829-L893 HydrophobicContact CG-CD1 4.27Å; Y829-L893 HydrophobicContact CG-CD2 4.01Å; Y829-L893 HydrophobicContact CG-CG 4.19Å
830K59.6Low65.2Low169 Ų16965.9 Ų65.974%0.73537%0.369SS*.Hα-helixtrans-67.1-27.6175.1-162.1-179.8179.7-175.10111.2G827 I828G827-K830 WeakPolarHBondContact O-CA 3.38Å; G827-K830 WeakPolarHBondContact O-CB 3.12Å; G827-K830 PolarHBondContact O-N 2.7Å; I828-K830 VanDerWaalsContact C-N 3.34Å; I828-K830 PolarHBondContact O-N 3.34Å
831Q62.1Low67.7Low128 Ų12859.7 Ų59.760%0.59833%0.326SS*.Hα-helixtrans-84.2-31.4171.4-67.7175.7-7.400112.6G827 I828 Y829G827-Q831 PolarHBondContact O-N 3.01Å; I828-Q831 PolarHBondContact O-N 3.41Å; Y829-Q831 PolarHBondContact O-N 3.4Å
832A66.5Low70.1Confident19 Ų1956.7 Ų56.716%0.15730%0.301CS..Hα-helixtrans-78.3-28.9-178.300000114.5I828 Y829 D834I828-A832 PolarHBondContact O-N 2.67Å; Y829-A832 PolarHBondContact O-N 2.94Å; A832-D834 PolarHBondContact O-N 2.88Å
833I79.1Confident72.9Confident13 Ų1352.9 Ų52.97%0.06727%0.274CS..SBendtrans-85.2104.6174.5-57.2169.1000108.3Y829 L838 F866 L893 L896Y829-I833 WeakPolarHBondContact O-CG1 3.32Å; Y829-I833 PolarHBondContact O-N 2.95Å; I833-L838 HydrophobicContact CG2-CD2 4.09Å; I833-L838 HydrophobicContact CG2-CG 4.03Å; I833-F866 HydrophobicContact CD1-CD1 4.44Å; I833-F866 HydrophobicContact CD1-CE1 3.58Å; I833-F866 HydrophobicContact CD1-CZ 4.29Å; I833-F866 HydrophobicContact CG1-CE1 4.06Å; I833-L893 HydrophobicContact CD1-CD2 3.89Å; I833-L896 HydrophobicContact CD1-CD1 4.37Å; I833-L896 HydrophobicContact CD1-CD2 4.4Å
834D85.5Confident75.3Confident59 Ų5946.5 Ų46.532%0.31623%0.229SC..  trans-82.5-173.8175.171.3-7.2000112.3A832 T836 G837 L838 Y956A832-D834 PolarHBondContact O-N 2.88Å; D834-T836 PolarHBondContact O-N 2.94Å; D834-T836 WeakPolarHBondContact OD1-CB 3.41Å; D834-T836 PolarHBondContact OD1-N 3.35Å; D834-T836 VanDerWaalsContact OD1-N 3.12Å; D834-G837 PolarHBondContact O-N 3.29Å; D834-G837 PolarHBondContact OD1-N 2.68Å; D834-L838 PolarHBondContact O-N 3.2Å; D834-L838 VanDerWaalsContact O-N 3.09Å; D834-Y956 WeakPolarHBondContact OD1-CE2 3.41Å; D834-Y956 WeakPolarHBondContact OD2-CE2 3.45Å; D834-Y956 PolarHBondContact OD2-OH 2.83Å
835R87.5Confident77.6Confident129 Ų12943.4 Ų43.449%0.48721%0.208SC..Hα-helixtrans-60.2-33.8177-67.8-177.3176.4167.6-2112.6F839 L990 E992R835-F839 VanDerWaalsContact O-CB 3.32Å; R835-F839 WeakPolarHBondContact O-CB 3.3Å; R835-F839 PolarHBondContact O-N 3.5Å; R835-L990 VanDerWaalsContact CD-O 3.3Å; R835-L990 WeakPolarHBondContact CD-O 3.09Å; R835-L990 PolarHBondContact NH1-O 3.23Å; R835-E992 IonicContact CZ-OE1 3.7Å; R835-E992 IonicContact NE-OE1 2.75Å; R835-E992 IonicContact NH2-OE1 3.83Å; R835-E992 PolarHBondContact NH2-OE1 3.38Å
836T91.5Very high79.7Confident2 Ų239.3 Ų39.31%0.01219%0.189CC..Hα-helixtrans-67.5-42.4176.2-65.60000111.5D834 F839 L840 Y956 A987 G989D834-T836 PolarHBondContact O-N 2.94Å; D834-T836 WeakPolarHBondContact OD1-CB 3.41Å; D834-T836 PolarHBondContact OD1-N 3.35Å; D834-T836 VanDerWaalsContact OD1-N 3.12Å; T836-F839 WeakPolarHBondContact O-CB 3.41Å; T836-F839 PolarHBondContact O-N 3.33Å; T836-L840 HydrophobicContact CG2-CD1 4.21Å; T836-L840 WeakPolarHBondContact O-CG 3.38Å; T836-L840 PolarHBondContact O-N 3.45Å; T836-Y956 HydrophobicContact CG2-CD1 4.32Å; T836-Y956 HydrophobicContact CG2-CD2 3.54Å; T836-Y956 HydrophobicContact CG2-CE1 4.08Å; T836-Y956 HydrophobicContact CG2-CE2 3.32Å; T836-Y956 HydrophobicContact CG2-CG 4.03Å; T836-A987 WeakPolarHBondContact CG2-O 3.26Å; T836-G989 PolarHBondContact N-O 3.24Å; T836-G989 PolarHBondContact OG1-N 2.81Å; T836-G989 PolarHBondContact OG1-O 3.43Å
837G90.4Very high81.9Confident0 Ų032.9 Ų32.90%016%0.16CC..Hα-helixtrans-60.8-45.1175.200000112.7P805 D834 F839 L840 L841P805-G837 WeakPolarHBondContact O-CA 3.33Å; D834-G837 PolarHBondContact O-N 3.29Å; D834-G837 PolarHBondContact OD1-N 2.68Å; G837-F839 VanDerWaalsContact C-N 3.33Å; G837-F839 PolarHBondContact O-N 2.8Å; G837-L840 PolarHBondContact O-N 2.73Å; G837-L841 WeakPolarHBondContact O-CG 3.43Å; G837-L841 PolarHBondContact O-N 3.03Å; G837-L841 VanDerWaalsContact O-N 3.09Å
838L90Very high83.6Confident44 Ų4432.6 Ų32.623%0.2316%0.155CC..Hα-helixtrans-62.6-39.6173.2-68.3176.2000111.9I833 D834 L841 Q842 L900I833-L838 HydrophobicContact CG2-CD2 4.09Å; I833-L838 HydrophobicContact CG2-CG 4.03Å; D834-L838 PolarHBondContact O-N 3.2Å; D834-L838 VanDerWaalsContact O-N 3.09Å; L838-L841 PolarHBondContact O-N 2.84Å; L838-Q842 WeakPolarHBondContact O-CB 3.09Å; L838-Q842 PolarHBondContact O-N 3.32Å; L838-L900 HydrophobicContact CD2-CD1 3.76Å
839F92.9Very high85.1Confident0 Ų037 Ų370%017%0.169CC..Hα-helixtrans-61.7-45.6175.9179.9-124.4000112.5W514 T612 N726 V728 R835 T836 G837 Q842 L843 A987 V993W514-F839 HydrophobicContact CH2-CD2 4.44Å; W514-F839 HydrophobicContact CH2-CE2 4.03Å; W514-F839 HydrophobicContact CZ2-CD2 4.47Å; W514-F839 AromaticContact CZ2-CE2 3.97Å; W514-F839 HydrophobicContact CZ2-CE2 3.97Å; T612-F839 HydrophobicContact CG2-CZ 4.04Å; N726-F839 HydrophobicContact CB-CE1 3.81Å; N726-F839 HydrophobicContact CB-CE2 4.43Å; N726-F839 HydrophobicContact CB-CZ 3.7Å; V728-F839 HydrophobicContact CG2-CE1 4.31Å; R835-F839 VanDerWaalsContact O-CB 3.32Å; R835-F839 WeakPolarHBondContact O-CB 3.3Å; R835-F839 PolarHBondContact O-N 3.5Å; T836-F839 WeakPolarHBondContact O-CB 3.41Å; T836-F839 PolarHBondContact O-N 3.33Å; G837-F839 VanDerWaalsContact C-N 3.33Å; G837-F839 PolarHBondContact O-N 2.8Å; F839-Q842 PolarHBondContact O-N 2.7Å; F839-L843 HydrophobicContact CD1-CD1 4.04Å; F839-L843 HydrophobicContact CD1-CG 4.5Å; F839-L843 HydrophobicContact CD2-CD2 4.45Å; F839-L843 HydrophobicContact CD2-CG 4.17Å; F839-L843 HydrophobicContact CE1-CD1 3.62Å; F839-L843 HydrophobicContact CE1-CG 4.23Å; F839-L843 HydrophobicContact CE2-CD1 4.17Å; F839-L843 HydrophobicContact CE2-CD2 3.74Å; F839-L843 HydrophobicContact CE2-CG 3.88Å; F839-L843 HydrophobicContact CG-CG 4.48Å; F839-L843 HydrophobicContact CZ-CD1 3.69Å; F839-L843 HydrophobicContact CZ-CD2 3.82Å; F839-L843 HydrophobicContact CZ-CG 3.92Å; F839-L843 WeakPolarHBondContact O-CG 3.19Å; F839-L843 PolarHBondContact O-N 2.96Å; F839-A987 HydrophobicContact CD1-CB 4.06Å; F839-A987 HydrophobicContact CE1-CB 3.91Å; F839-V993 HydrophobicContact CB-CG2 4.32Å; F839-V993 HydrophobicContact CD2-CG1 3.87Å; F839-V993 HydrophobicContact CD2-CG2 4.28Å; F839-V993 HydrophobicContact CE2-CG1 4.48Å
840L93.5Very high86.3Confident0 Ų036.7 Ų36.70%017%0.168CC..Hα-helixtrans-61.1-47.4176.5-75.9163.2000112.6I803 T836 G837 Q842 L843 A844 F954 L955 Y956 A987I803-L840 HydrophobicContact CG2-CB 4.21Å; T836-L840 HydrophobicContact CG2-CD1 4.21Å; T836-L840 WeakPolarHBondContact O-CG 3.38Å; T836-L840 PolarHBondContact O-N 3.45Å; G837-L840 PolarHBondContact O-N 2.73Å; L840-Q842 PolarHBondContact O-N 2.69Å; L840-L843 PolarHBondContact O-N 3.16Å; L840-A844 PolarHBondContact O-N 2.86Å; L840-F954 HydrophobicContact CD2-CB 4.01Å; L840-L955 WeakPolarHBondContact CD2-O 3.42Å; L840-Y956 HydrophobicContact CD1-CD2 4.41Å; L840-A987 HydrophobicContact CD2-CB 3.55Å; L840-A987 HydrophobicContact CG-CB 4.24Å
841L92.6Very high87.5Confident0 Ų031.9 Ų31.90%016%0.155CC..Hα-helixtrans-57.1-42.3175.7-73.2169000110.9I803 P805 G837 L838 C845 A864 L897 I902I803-L841 HydrophobicContact CD1-CD2 4.17Å; I803-L841 HydrophobicContact CG2-CD2 4.07Å; P805-L841 HydrophobicContact CB-CD1 4.26Å; P805-L841 HydrophobicContact CB-CD2 4.49Å; P805-L841 HydrophobicContact CB-CG 4.04Å; P805-L841 HydrophobicContact CG-CD2 4.5Å; G837-L841 WeakPolarHBondContact O-CG 3.43Å; G837-L841 PolarHBondContact O-N 3.03Å; G837-L841 VanDerWaalsContact O-N 3.09Å; L838-L841 PolarHBondContact O-N 2.84Å; L841-C845 WeakPolarHBondContact O-CB 3.16Å; L841-C845 PolarHBondContact O-N 3.02Å; L841-A864 HydrophobicContact CD2-CB 4.14Å; L841-L897 HydrophobicContact CD1-CD2 4.11Å; L841-L897 HydrophobicContact CD2-CD2 4.08Å; L841-I902 HydrophobicContact CB-CD1 3.93Å
842Q90.6Very high88.4Confident35 Ų3527.9 Ų27.916%0.16413%0.134CC..Hα-helixtrans-68.6-43.5178.4-174.867.3-20.300112.5W514 L838 F839 L840 A844 C845 L846 V993 T994W514-Q842 HydrophobicContact CZ3-CG 4.06Å; L838-Q842 WeakPolarHBondContact O-CB 3.09Å; L838-Q842 PolarHBondContact O-N 3.32Å; F839-Q842 PolarHBondContact O-N 2.7Å; L840-Q842 PolarHBondContact O-N 2.69Å; Q842-A844 PolarHBondContact O-N 3.34Å; Q842-C845 PolarHBondContact O-N 3.17Å; Q842-L846 HydrophobicContact CG-CD1 4.37Å; Q842-L846 WeakPolarHBondContact O-CB 3.28Å; Q842-L846 VanDerWaalsContact O-CG 3.29Å; Q842-L846 WeakPolarHBondContact O-CG 3.39Å; Q842-L846 PolarHBondContact O-N 2.79Å; Q842-V993 HydrophobicContact CB-CG2 3.88Å; Q842-V993 HydrophobicContact CG-CB 4.41Å; Q842-V993 HydrophobicContact CG-CG2 4.06Å; Q842-T994 HydrophobicContact CB-CG2 4.19Å; Q842-T994 HydrophobicContact CG-CG2 4.05Å
843L93.8Very high89.4Confident0 Ų027 Ų270%013%0.127CC..Hα-helixtrans-57.6-49.8176-73.2-179.5000111L516 L538 V728 F839 L840 C845 L846 V847 F954 A987L516-L843 HydrophobicContact CD1-CD2 4.07Å; L516-L843 HydrophobicContact CD2-CD2 3.91Å; L538-L843 HydrophobicContact CD1-CB 3.9Å; L538-L843 HydrophobicContact CD1-CD2 3.85Å; L538-L843 HydrophobicContact CD1-CG 4.41Å; L538-L843 VanDerWaalsContact CD1-O 3.29Å; L538-L843 WeakPolarHBondContact CD1-O 3.3Å; L538-L843 HydrophobicContact CD2-CD2 4.29Å; L538-L843 HydrophobicContact CG-CD2 4.29Å; V728-L843 HydrophobicContact CG2-CD1 4.28Å; F839-L843 HydrophobicContact CD1-CD1 4.04Å; F839-L843 HydrophobicContact CD1-CG 4.5Å; F839-L843 HydrophobicContact CD2-CD2 4.45Å; F839-L843 HydrophobicContact CD2-CG 4.17Å; F839-L843 HydrophobicContact CE1-CD1 3.62Å; F839-L843 HydrophobicContact CE1-CG 4.23Å; F839-L843 HydrophobicContact CE2-CD1 4.17Å; F839-L843 HydrophobicContact CE2-CD2 3.74Å; F839-L843 HydrophobicContact CE2-CG 3.88Å; F839-L843 HydrophobicContact CG-CG 4.48Å; F839-L843 HydrophobicContact CZ-CD1 3.69Å; F839-L843 HydrophobicContact CZ-CD2 3.82Å; F839-L843 HydrophobicContact CZ-CG 3.92Å; F839-L843 WeakPolarHBondContact O-CG 3.19Å; F839-L843 PolarHBondContact O-N 2.96Å; L840-L843 PolarHBondContact O-N 3.16Å; L843-C845 VanDerWaalsContact C-N 3.34Å; L843-C845 PolarHBondContact O-N 2.8Å; L843-L846 WeakPolarHBondContact O-CB 3.39Å; L843-L846 PolarHBondContact O-N 3.43Å; L843-L846 VanDerWaalsContact O-N 3.16Å; L843-V847 WeakPolarHBondContact O-CG2 3.22Å; L843-V847 PolarHBondContact O-N 3.23Å; L843-F954 HydrophobicContact CB-CD1 4.33Å; L843-F954 HydrophobicContact CB-CE1 4.09Å; L843-A987 HydrophobicContact CD1-CB 3.94Å
844A93.1Very high89.7Confident0 Ų033.9 Ų33.90%015%0.152CC..Hα-helixtrans-61.3-43.1179.100000112.1I803 L840 Q842 L846 V847 A848 L862 F954I803-A844 HydrophobicContact CD1-CB 3.32Å; I803-A844 HydrophobicContact CG1-CB 3.57Å; L840-A844 PolarHBondContact O-N 2.86Å; Q842-A844 PolarHBondContact O-N 3.34Å; A844-L846 VanDerWaalsContact C-N 3.35Å; A844-L846 PolarHBondContact O-N 2.69Å; A844-V847 PolarHBondContact O-N 2.86Å; A844-A848 WeakPolarHBondContact O-CB 3.27Å; A844-A848 PolarHBondContact O-N 3.2Å; A844-L862 HydrophobicContact CB-CD2 4.15Å; A844-F954 HydrophobicContact CB-CD1 4.41Å; A844-F954 HydrophobicContact CB-CD2 3.76Å; A844-F954 HydrophobicContact CB-CE1 4.36Å; A844-F954 HydrophobicContact CB-CE2 3.73Å; A844-F954 HydrophobicContact CB-CG 4.12Å; A844-F954 HydrophobicContact CB-CZ 4.04Å
845C91.9Very high89.5Confident7 Ų739.1 Ų39.15%0.04717%0.172CC..Hα-helixtrans-60.9-41.3174.4-175.10000112.4L841 Q842 L843 A848 R849 L862 I902L841-C845 WeakPolarHBondContact O-CB 3.16Å; L841-C845 PolarHBondContact O-N 3.02Å; Q842-C845 PolarHBondContact O-N 3.17Å; L843-C845 VanDerWaalsContact C-N 3.34Å; L843-C845 PolarHBondContact O-N 2.8Å; C845-A848 PolarHBondContact O-N 3.03Å; C845-R849 WeakPolarHBondContact O-CB 3.28Å; C845-R849 VanDerWaalsContact O-CG 3.29Å; C845-R849 WeakPolarHBondContact O-CG 3.35Å; C845-R849 PolarHBondContact O-N 3.4Å; C845-L862 HydrophobicContact CB-CD1 4.25Å; C845-I902 HydrophobicContact CB-CG1 4.18Å; C845-I902 HydrophobicContact CB-CG2 4.14Å
846L91.4Very high89.3Confident26 Ų2634.4 Ų34.414%0.13615%0.154CC..Hα-helixtrans-62.1-46177.6-75.8174.6000112.2W514 L516 K540 Q842 L843 A844 R849 S850W514-L846 HydrophobicContact CH2-CD1 4.38Å; W514-L846 HydrophobicContact CZ3-CD1 4.01Å; L516-L846 HydrophobicContact CB-CD1 4.33Å; K540-L846 HydrophobicContact CD-CD2 4.08Å; Q842-L846 HydrophobicContact CG-CD1 4.37Å; Q842-L846 WeakPolarHBondContact O-CB 3.28Å; Q842-L846 VanDerWaalsContact O-CG 3.29Å; Q842-L846 WeakPolarHBondContact O-CG 3.39Å; Q842-L846 PolarHBondContact O-N 2.79Å; L843-L846 WeakPolarHBondContact O-CB 3.39Å; L843-L846 PolarHBondContact O-N 3.43Å; L843-L846 VanDerWaalsContact O-N 3.16Å; A844-L846 VanDerWaalsContact C-N 3.35Å; A844-L846 PolarHBondContact O-N 2.69Å; L846-R849 PolarHBondContact O-N 2.77Å; L846-S850 PolarHBondContact O-N 3.46Å
847V91.8Very high88.8Confident0 Ų045 Ų450%019%0.194CC..Hα-helixtrans-59.5-52.7175.5-174.50000110F534 L538 F801 L843 A844 R849 S850 W853 F954F534-V847 HydrophobicContact CE1-CG2 4.31Å; F534-V847 HydrophobicContact CE2-CG1 3.97Å; F534-V847 HydrophobicContact CZ-CG1 3.96Å; F534-V847 HydrophobicContact CZ-CG2 4.07Å; L538-V847 HydrophobicContact CB-CG2 3.81Å; L538-V847 HydrophobicContact CD1-CG2 3.15Å; L538-V847 HydrophobicContact CG-CG2 4.04Å; F801-V847 HydrophobicContact CD2-CG1 4.47Å; F801-V847 HydrophobicContact CE2-CB 3.93Å; F801-V847 HydrophobicContact CE2-CG1 3.48Å; F801-V847 VanDerWaalsContact CE2-CG1 3.48Å; F801-V847 HydrophobicContact CZ-CG1 3.67Å; L843-V847 WeakPolarHBondContact O-CG2 3.22Å; L843-V847 PolarHBondContact O-N 3.23Å; A844-V847 PolarHBondContact O-N 2.86Å; V847-R849 PolarHBondContact O-N 2.84Å; V847-S850 VanDerWaalsContact O-CB 3.24Å; V847-S850 WeakPolarHBondContact O-CB 3.43Å; V847-S850 PolarHBondContact O-N 3.43Å; V847-S850 PolarHBondContact O-OG 3.39Å; V847-W853 HydrophobicContact CG1-CG 4.27Å; V847-W853 VanDerWaalsContact CG1-NE1 3.31Å; V847-F954 HydrophobicContact CG2-CZ 3.99Å
848A90.8Very high88.5Confident13 Ų1349.2 Ų49.211%0.10721%0.213CC..Hα-helixtrans-59.3-35.2-176.800000112.7F801 A844 C845 P860 L862F801-A848 HydrophobicContact CD2-CB 4.21Å; F801-A848 HydrophobicContact CE2-CB 4.3Å; A844-A848 WeakPolarHBondContact O-CB 3.27Å; A844-A848 PolarHBondContact O-N 3.2Å; C845-A848 PolarHBondContact O-N 3.03Å; A848-P860 HydrophobicContact CB-CG 3.86Å; A848-L862 HydrophobicContact CB-CD1 4.4Å; A848-L862 HydrophobicContact CB-CD2 3.76Å; A848-L862 HydrophobicContact CB-CG 4.2Å
849R89.3Confident88.3Confident126 Ų12650.6 Ų50.648%0.47523%0.225SC..THydrogen-bonded Turntrans-88.1-2.6178.7-64.8-175.974.5148.94.3114.3C845 L846 V847C845-R849 WeakPolarHBondContact O-CB 3.28Å; C845-R849 VanDerWaalsContact O-CG 3.29Å; C845-R849 WeakPolarHBondContact O-CG 3.35Å; C845-R849 PolarHBondContact O-N 3.4Å; L846-R849 PolarHBondContact O-N 2.77Å; V847-R849 PolarHBondContact O-N 2.84Å
850S88.3Confident88.1Confident1 Ų151.2 Ų51.21%0.00723%0.229CC..SBendtrans-62.9152.217774.30000110.7S537 L846 V847 Y852 W853 R854S537-S850 VanDerWaalsContact O-CB 3.22Å; S537-S850 WeakPolarHBondContact O-CB 3.31Å; L846-S850 PolarHBondContact O-N 3.46Å; V847-S850 VanDerWaalsContact O-CB 3.24Å; V847-S850 WeakPolarHBondContact O-CB 3.43Å; V847-S850 PolarHBondContact O-N 3.43Å; V847-S850 PolarHBondContact O-OG 3.39Å; S850-Y852 PolarHBondContact O-N 3.49Å; S850-Y852 VanDerWaalsContact O-N 3.16Å; S850-W853 PolarHBondContact O-N 3.46Å; S850-R854 WeakPolarHBondContact O-CB 3.43Å; S850-R854 PolarHBondContact O-N 2.85Å
851P84.3Confident88Confident68 Ų6856.1 Ų56.144%0.44225%0.251SS..Hα-helixtrans-57.8-31.4-177.1-25.834.8000114.3K855P851-K855 WeakPolarHBondContact O-CB 3.46Å; P851-K855 WeakPolarHBondContact O-CD 3.25Å; P851-K855 WeakPolarHBondContact O-CG 3.19Å; P851-K855 PolarHBondContact O-N 3.35Å
852Y82.5Confident88.1Confident43 Ų4356.4 Ų56.417%0.16925%0.252CS..Hα-helixtrans-67.9-52.6179.3172.4-108.2000111.5D739 E740 S850 R856D739-Y852 PolarHBondContact N-OH 2.86Å; D739-Y852 WeakPolarHBondContact O-CE2 3.22Å; D739-Y852 PolarHBondContact O-OH 3.12Å; D739-Y852 VanDerWaalsContact O-OH 3.12Å; E740-Y852 HydrophobicContact CB-CE2 4.38Å; E740-Y852 HydrophobicContact CG-CD2 3.78Å; E740-Y852 HydrophobicContact CG-CE2 3.54Å; S850-Y852 PolarHBondContact O-N 3.49Å; S850-Y852 VanDerWaalsContact O-N 3.16Å; Y852-R856 PolarHBondContact OH-NH2 3.39Å
853W86.9Confident88.3Confident0 Ų055.8 Ų55.80%025%0.248CC..Hα-helixtrans-73.5-37.5-178.4-67.5110.3000112.8F534 F738 V793 I799 F801 V847 S850 K855 R856 P860 T951F534-W853 HydrophobicContact CD2-CZ2 4.28Å; F534-W853 HydrophobicContact CE2-CZ2 4.29Å; F738-W853 AromaticContact CD1-CH2 3.78Å; F738-W853 HydrophobicContact CD1-CH2 3.78Å; F738-W853 AromaticContact CD1-CZ2 3.78Å; F738-W853 HydrophobicContact CD1-CZ2 3.78Å; F738-W853 AromaticContact CE1-CH2 3.66Å; F738-W853 HydrophobicContact CE1-CH2 3.66Å; F738-W853 AromaticContact CE1-CZ2 3.59Å; F738-W853 HydrophobicContact CE1-CZ2 3.59Å; V793-W853 HydrophobicContact CG1-CH2 4.46Å; V793-W853 HydrophobicContact CG1-CZ3 4.41Å; I799-W853 HydrophobicContact CD1-CZ3 3.99Å; I799-W853 HydrophobicContact CG2-CZ3 4.33Å; F801-W853 AromaticContact CZ-CD2 3.95Å; F801-W853 HydrophobicContact CZ-CD2 3.95Å; F801-W853 AromaticContact CZ-CE2 3.89Å; F801-W853 HydrophobicContact CZ-CE3 4.19Å; F801-W853 HydrophobicContact CZ-CG 4.44Å; F801-W853 HydrophobicContact CZ-CH2 4.39Å; F801-W853 HydrophobicContact CZ-CZ2 4.13Å; F801-W853 HydrophobicContact CZ-CZ3 4.4Å; V847-W853 HydrophobicContact CG1-CG 4.27Å; V847-W853 VanDerWaalsContact CG1-NE1 3.31Å; S850-W853 PolarHBondContact O-N 3.46Å; W853-K855 PolarHBondContact O-N 3.05Å; W853-R856 PolarHBondContact O-N 2.9Å; W853-P860 HydrophobicContact CB-CG 3.93Å; W853-P860 HydrophobicContact CE3-CG 4.43Å; W853-P860 HydrophobicContact CG-CG 4.45Å; W853-T951 HydrophobicContact CH2-CG2 3.71Å; W853-T951 HydrophobicContact CZ2-CG2 4.47Å; W853-T951 HydrophobicContact CZ3-CG2 4.37Å
854R84.7Confident88.2Confident159 Ų15955.8 Ų55.860%0.625%0.248SC*.Hα-helixtrans-68.9-29.4-178.4-174.7173.265.6119.3-1.4114.2S850 R856S850-R854 WeakPolarHBondContact O-CB 3.43Å; S850-R854 PolarHBondContact O-N 2.85Å; R854-R856 VanDerWaalsContact C-N 3.35Å
855K82.3Confident88.1Confident169 Ų16955.9 Ų55.974%0.73525%0.249SC*.THydrogen-bonded Turntrans-86.3-2.3-177.3-72.9-178.8179-173.90114P851 W853P851-K855 WeakPolarHBondContact O-CB 3.46Å; P851-K855 WeakPolarHBondContact O-CD 3.25Å; P851-K855 WeakPolarHBondContact O-CG 3.19Å; P851-K855 PolarHBondContact O-N 3.35Å; W853-K855 PolarHBondContact O-N 3.05Å
856R83.1Confident87.9Confident29 Ų2955.6 Ų55.611%0.10925%0.246CC..SBendtrans-69155.3176.3-72.3179.9165.5-131-7110.7Y852 W853 R854 H858Y852-R856 PolarHBondContact OH-NH2 3.39Å; W853-R856 PolarHBondContact O-N 2.9Å; R854-R856 VanDerWaalsContact C-N 3.35Å; R856-H858 PolarHBondContact O-N 2.93Å
857R81.3Confident87.5Confident225 Ų22554.3 Ų54.385%0.84924%0.24SC*.SBendtrans-54-41.1175.3-74.2-172.5175.5-174.2-0.6111.8
858H83.4Confident86.6Confident88 Ų8855.8 Ų55.841%0.40725%0.247SC..SBendtrans-117.8105.2171.6-59.3-68.3000108.9S796 R856S796-H858 PolarHBondContact O-CD2 2.94Å; S796-H858 VanDerWaalsContact O-CD2 3.31Å; R856-H858 PolarHBondContact O-N 2.93Å
859P85.9Confident85.3Confident74 Ų7455.9 Ų55.948%0.48125%0.245SC..PPolyproline II helixtrans-65.8151.3173.628.1-33.6000110.2K861P859-K861 PolarHBondContact O-N 2.79Å
860P88.8Confident83.7Confident13 Ų1357 Ų578%0.08425%0.25CC..PPolyproline II helixtrans-66136.1-178.428.3-35.2000111I799 F801 A848 W853I799-P860 HydrophobicContact CB-CB 4.41Å; I799-P860 HydrophobicContact CG2-CB 4.11Å; I799-P860 CarbonylContact O-C 3.52Å; I799-P860 VanDerWaalsContact O-CA 3.28Å; I799-P860 WeakPolarHBondContact O-CA 3.44Å; F801-P860 HydrophobicContact CD2-CB 3.93Å; F801-P860 HydrophobicContact CD2-CG 4.18Å; F801-P860 HydrophobicContact CE2-CB 3.76Å; F801-P860 HydrophobicContact CE2-CG 3.7Å; F801-P860 HydrophobicContact CG-CB 4.4Å; F801-P860 HydrophobicContact CZ-CB 4.11Å; F801-P860 HydrophobicContact CZ-CG 4.26Å; A848-P860 HydrophobicContact CB-CG 3.86Å; W853-P860 HydrophobicContact CB-CG 3.93Å; W853-P860 HydrophobicContact CE3-CG 4.43Å; W853-P860 HydrophobicContact CG-CG 4.45Å
861K91.9Very high82Confident103 Ų10359.4 Ų59.445%0.44826%0.264SS..EExtended strand (participates in β ladder)trans-87.8132.7171.9-69.9-175.4164.9-155.10109.9I799 F800 F801 P859 E905I799-K861 PolarHBondContact O-N 2.93Å; F800-K861 WeakPolarHBondContact CA-O 3.37Å; F800-K861 HydrophobicContact CD1-CB 3.82Å; F800-K861 HydrophobicContact CD1-CD 4.43Å; F800-K861 HydrophobicContact CE1-CB 4.01Å; F800-K861 HydrophobicContact CE1-CD 3.76Å; F800-K861 HydrophobicContact CE1-CG 4.44Å; F800-K861 HydrophobicContact CZ-CD 4.45Å; F801-K861 PolarHBondContact N-O 3.06Å; P859-K861 PolarHBondContact O-N 2.79Å; K861-E905 IonicContact NZ-OE1 3Å; K861-E905 PolarHBondContact NZ-OE1 3.21Å; K861-E905 VanDerWaalsContact NZ-OE1 3.16Å
862L94.4Very high80.4Confident6 Ų656.7 Ų56.73%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-87.9133.6174.7-58.2178.6000109.2F801 I803 A844 C845 A848 I902 A904 E905F801-L862 HydrophobicContact CB-CD2 3.79Å; F801-L862 HydrophobicContact CD2-CD2 3.9Å; F801-L862 HydrophobicContact CG-CD2 4.36Å; F801-L862 WeakPolarHBondContact O-CA 3.29Å; I803-L862 HydrophobicContact CD1-CB 4.32Å; I803-L862 HydrophobicContact CD1-CD2 4.44Å; A844-L862 HydrophobicContact CB-CD2 4.15Å; C845-L862 HydrophobicContact CB-CD1 4.25Å; A848-L862 HydrophobicContact CB-CD1 4.4Å; A848-L862 HydrophobicContact CB-CD2 3.76Å; A848-L862 HydrophobicContact CB-CG 4.2Å; L862-I902 HydrophobicContact CD1-CG2 3.93Å; L862-A904 HydrophobicContact CB-CB 3.57Å; L862-A904 CarbonylContact O-C 3.58Å; L862-A904 VanDerWaalsContact O-CA 3.27Å; L862-A904 WeakPolarHBondContact O-CA 3.44Å; L862-E905 PolarHBondContact O-N 2.91Å
863R94.4Very high78.7Confident22 Ų2256.9 Ų56.98%0.08325%0.249CC..EExtended strand (participates in β ladder)trans-126.3115.8175.2-56.9-169.9-59.6155.811.6108.9F800 F801 D802 I803 F865 E905 Y945F800-R863 HydrophobicContact CD1-CG 4.07Å; F801-R863 PolarHBondContact O-N 3.42Å; D802-R863 CarbonylContact C-O 3.56Å; D802-R863 WeakPolarHBondContact CA-O 3.35Å; D802-R863 IonicContact OD1-CZ 2.74Å; D802-R863 IonicContact OD1-NE 3.66Å; D802-R863 PolarHBondContact OD1-NE 2.97Å; D802-R863 IonicContact OD1-NH2 3.16Å; D802-R863 PolarHBondContact OD1-NH2 3.38Å; D802-R863 IonicContact OD2-CZ 3.15Å; D802-R863 IonicContact OD2-NH2 2.78Å; D802-R863 PolarHBondContact OD2-NH2 3.48Å; I803-R863 PolarHBondContact N-O 3.19Å; R863-F865 HydrophobicContact CB-CE2 3.79Å; R863-F865 HydrophobicContact CB-CZ 4.06Å; R863-E905 CarbonylContact C-O 3.53Å; R863-E905 WeakPolarHBondContact CA-O 3.3Å; R863-E905 HydrophobicContact CG-CB 4.38Å; R863-Y945 PolarHBondContact NH2-O 3.48Å
864A92.6Very high76.8Confident0 Ų064.1 Ų64.10%028%0.283CS..EExtended strand (participates in β ladder)trans-104121.3-178.500000109.9I803 L841 F866 A904 E905 H907I803-A864 WeakPolarHBondContact O-CA 3.35Å; L841-A864 HydrophobicContact CD2-CB 4.14Å; A864-F866 HydrophobicContact CB-CD2 4.45Å; A864-F866 HydrophobicContact CB-CE2 3.59Å; A864-F866 HydrophobicContact CB-CZ 4.12Å; A864-A904 HydrophobicContact CB-CB 4.18Å; A864-E905 PolarHBondContact N-O 3.48Å; A864-H907 PolarHBondContact O-N 3.09Å
865F91.5Very high74.7Confident2 Ų260.9 Ų60.91%0.00928%0.276CS..EExtended strand (participates in β ladder)trans-103.2125-176.1-63.4-88.6000110.4D802 I803 W804 P805 R863 H907 V909 Y945D802-F865 HydrophobicContact CB-CD2 4.37Å; D802-F865 HydrophobicContact CB-CE2 3.76Å; I803-F865 PolarHBondContact O-N 2.94Å; W804-F865 HydrophobicContact CD2-CB 3.6Å; W804-F865 HydrophobicContact CD2-CG 4.31Å; W804-F865 AromaticContact CE2-CD2 3.97Å; W804-F865 AromaticContact CE2-CG 3.77Å; W804-F865 HydrophobicContact CE3-CB 3.71Å; W804-F865 HydrophobicContact CG-CB 4.25Å; W804-F865 HydrophobicContact CH2-CB 3.87Å; W804-F865 HydrophobicContact CH2-CD1 4.49Å; W804-F865 HydrophobicContact CH2-CG 4.31Å; W804-F865 HydrophobicContact CZ2-CB 3.71Å; W804-F865 HydrophobicContact CZ2-CD1 4.11Å; W804-F865 HydrophobicContact CZ2-CD2 4.32Å; W804-F865 AromaticContact CZ2-CG 3.79Å; W804-F865 HydrophobicContact CZ2-CG 3.79Å; W804-F865 HydrophobicContact CZ3-CB 3.86Å; W804-F865 AromaticContact NE1-CD2 3.72Å; P805-F865 WeakPolarHBondContact CD-O 3.47Å; R863-F865 HydrophobicContact CB-CE2 3.79Å; R863-F865 HydrophobicContact CB-CZ 4.06Å; F865-H907 WeakPolarHBondContact CA-O 3.4Å; F865-H907 HydrophobicContact CD1-CB 3.43Å; F865-H907 VanDerWaalsContact CD1-CB 3.43Å; F865-H907 HydrophobicContact CE1-CB 3.6Å; F865-H907 AromaticContact CE1-CD2 3.98Å; F865-H907 AromaticContact CE1-CG 3.74Å; F865-H907 HydrophobicContact CG-CB 4.26Å; F865-V909 HydrophobicContact CB-CG2 4.2Å; F865-V909 HydrophobicContact CD1-CG2 3.93Å; F865-Y945 HydrophobicContact CD1-CD1 4.4Å; F865-Y945 HydrophobicContact CD1-CG 4.45Å; F865-Y945 HydrophobicContact CE1-CD1 4.15Å; F865-Y945 HydrophobicContact CE1-CG 4.33Å
866F87.6Confident72.8Confident0 Ų060.6 Ų60.60%028%0.283CS..EExtended strand (participates in β ladder)trans-124.6127.4179.6-60.9-91000109.2P805 I806 Y829 I833 A864 L893 I906 H907 L908 V909P805-F866 HydrophobicContact CG-CD1 3.99Å; P805-F866 HydrophobicContact CG-CE1 3.34Å; P805-F866 HydrophobicContact CG-CZ 3.71Å; I806-F866 HydrophobicContact CD1-CB 4.49Å; I806-F866 HydrophobicContact CD1-CD1 3.7Å; Y829-F866 HydrophobicContact CD1-CD1 4.44Å; Y829-F866 HydrophobicContact CE1-CB 4.11Å; I833-F866 HydrophobicContact CD1-CD1 4.44Å; I833-F866 HydrophobicContact CD1-CE1 3.58Å; I833-F866 HydrophobicContact CD1-CZ 4.29Å; I833-F866 HydrophobicContact CG1-CE1 4.06Å; A864-F866 HydrophobicContact CB-CD2 4.45Å; A864-F866 HydrophobicContact CB-CE2 3.59Å; A864-F866 HydrophobicContact CB-CZ 4.12Å; F866-L893 HydrophobicContact CB-CD1 4.13Å; F866-L893 HydrophobicContact CD1-CD1 4.22Å; F866-L893 HydrophobicContact CD1-CD2 3.94Å; F866-L893 HydrophobicContact CD2-CD1 3.79Å; F866-L893 HydrophobicContact CD2-CD2 4.45Å; F866-L893 HydrophobicContact CE1-CD2 3.72Å; F866-L893 HydrophobicContact CE2-CD1 4.21Å; F866-L893 HydrophobicContact CE2-CD2 4.22Å; F866-L893 HydrophobicContact CG-CD1 3.79Å; F866-L893 HydrophobicContact CG-CD2 4.31Å; F866-L893 HydrophobicContact CZ-CD2 3.86Å; F866-I906 HydrophobicContact CD2-CG2 4Å; F866-I906 HydrophobicContact CE2-CG2 4.26Å; F866-H907 PolarHBondContact N-O 3.38Å; F866-L908 HydrophobicContact CB-CD2 4.05Å; F866-L908 CarbonylContact O-C 3.56Å; F866-L908 WeakPolarHBondContact O-CA 3.45Å; F866-V909 PolarHBondContact O-N 3.33Å
867P81.4Confident71.3Confident0 Ų060.7 Ų60.70%029%0.287CS..EExtended strand (participates in β ladder)trans-69.9141.4177.530.8-33.5000111I806 F811 Y829 V909 M911I806-P867 HydrophobicContact CD1-CG 4.24Å; I806-P867 HydrophobicContact CG2-CG 4.39Å; F811-P867 HydrophobicContact CD1-CB 3.88Å; F811-P867 HydrophobicContact CD1-CG 3.82Å; F811-P867 HydrophobicContact CD2-CG 4.02Å; F811-P867 HydrophobicContact CE1-CB 3.48Å; F811-P867 VanDerWaalsContact CE1-CB 3.48Å; F811-P867 HydrophobicContact CE1-CG 3.73Å; F811-P867 HydrophobicContact CE2-CB 4.44Å; F811-P867 HydrophobicContact CE2-CG 3.91Å; F811-P867 HydrophobicContact CG-CG 3.96Å; F811-P867 HydrophobicContact CZ-CB 3.78Å; F811-P867 HydrophobicContact CZ-CG 3.76Å; Y829-P867 PolarHBondContact OH-O 3.48Å; Y829-P867 VanDerWaalsContact OH-O 3.12Å; P867-V909 CarbonylContact C-O 3.54Å; P867-V909 WeakPolarHBondContact CA-O 3.37Å; P867-M911 HydrophobicContact CB-CG 3.63Å; P867-M911 HydrophobicContact CB-SD 4.04Å
868Q74Confident69.7Low30 Ų3055.2 Ų55.214%0.1428%0.281CS..PPolyproline II helixtrans-72.3135.7174-65.9179.213.200109.8L908 V909Q868-L908 HydrophobicContact CG-CB 4.01Å; Q868-L908 PolarHBondContact NE2-O 3.03Å; Q868-V909 WeakPolarHBondContact CG-O 3.48Å; Q868-V909 PolarHBondContact N-O 3.09Å
869L63.1Low68.3Low15 Ų1559.4 Ų59.48%0.07931%0.306CS..PPolyproline II helixtrans-79.5139.8-177.2-69.4137.9000110.5F811 I828 Y829 T871 M872F811-L869 HydrophobicContact CE2-CD2 3.94Å; F811-L869 HydrophobicContact CE2-CG 4.39Å; F811-L869 HydrophobicContact CZ-CD2 4.43Å; I828-L869 HydrophobicContact CB-CD1 4.32Å; I828-L869 HydrophobicContact CG2-CD1 3.54Å; I828-L869 HydrophobicContact CG2-CD2 3.97Å; I828-L869 HydrophobicContact CG2-CG 4.41Å; Y829-L869 HydrophobicContact CD2-CD1 4.43Å; Y829-L869 HydrophobicContact CE1-CD1 4.25Å; Y829-L869 HydrophobicContact CE2-CD1 3.78Å; L869-T871 PolarHBondContact O-N 2.9Å; L869-T871 VanDerWaalsContact O-N 3.11Å; L869-M872 HydrophobicContact CB-CG 4.18Å; L869-M872 HydrophobicContact CB-SD 4.37Å; L869-M872 HydrophobicContact CD1-CE 4Å; L869-M872 VanDerWaalsContact O-CB 3.22Å; L869-M872 WeakPolarHBondContact O-CB 3.45Å; L869-M872 WeakPolarHBondContact O-CG 3.33Å; L869-M872 PolarHBondContact O-N 3.29Å
870R55.6Low66.8Low151 Ų15157.7 Ų57.757%0.5730%0.302SS*.Hα-helixtrans-56.6-29.2177.7-67.1-173.4-175.1-142.54.4113.7M872 N873 Q874R870-M872 PolarHBondContact O-N 2.91Å; R870-N873 PolarHBondContact O-N 2.98Å; R870-Q874 PolarHBondContact O-N 3.09Å; R870-Q874 VanDerWaalsContact O-N 3.08Å
871T52.2Low65.1Low51 Ų5161.9 Ų61.931%0.31332%0.32SS..Hα-helixtrans-63.2-22.4174.246.20000113.3P818 L869P818-T871 HydrophobicContact CG-CG2 4.22Å; L869-T871 PolarHBondContact O-N 2.9Å; L869-T871 VanDerWaalsContact O-N 3.11Å
872M50.1Low63.1Low11 Ų1159.5 Ų59.55%0.05431%0.314CS..Hα-helixtrans-75-27.3173.4-58.3179.5160.100112.3Y829 L869 R870 V885 A889Y829-M872 HydrophobicContact CE2-CE 3.83Å; L869-M872 HydrophobicContact CB-CG 4.18Å; L869-M872 HydrophobicContact CB-SD 4.37Å; L869-M872 HydrophobicContact CD1-CE 4Å; L869-M872 VanDerWaalsContact O-CB 3.22Å; L869-M872 WeakPolarHBondContact O-CB 3.45Å; L869-M872 WeakPolarHBondContact O-CG 3.33Å; L869-M872 PolarHBondContact O-N 3.29Å; R870-M872 PolarHBondContact O-N 2.91Å; M872-V885 HydrophobicContact CB-CG1 4.39Å; M872-V885 HydrophobicContact CE-CG1 3.98Å; M872-V885 HydrophobicContact CG-CG1 3.78Å; M872-V885 HydrophobicContact SD-CG1 4.42Å; M872-A889 HydrophobicContact CE-CB 3.55Å
873N48Very low61.4Low46 Ų4663.6 Ų63.625%0.24634%0.339CS..Hα-helixtrans-94.7-21.2-177.4-65.5-5.6000112.8R870 D912R870-N873 PolarHBondContact O-N 2.98Å; N873-D912 PolarHBondContact ND2-OD2 3.34Å
874Q47.4Very low60.1Low153 Ų15366.5 Ų66.572%0.71536%0.36SS*.Hα-helixtrans-86.2-16.9-179.2-74.5-178-4.800114.7R870 N876R870-Q874 PolarHBondContact O-N 3.09Å; R870-Q874 VanDerWaalsContact O-N 3.08Å; Q874-N876 PolarHBondContact O-N 3.01Å
875M39.5Very low58.9Low90 Ų9068.8 Ų68.844%0.44337%0.373SS..  trans-73.1109.8161-88.7177.3-176.100106.7P877M875-P877 HydrophobicContact CB-CG 3.77Å; M875-P877 HydrophobicContact CG-CG 4.43Å; M875-P877 VanDerWaalsContact O-CD 3.26Å; M875-P877 WeakPolarHBondContact O-CD 3.16Å
876N43.6Very low57.9Low163 Ų16370.5 Ų70.587%0.87238%0.382SS*.  trans-99.685.3161.6-87.6-27.7000107.9Q874Q874-N876 PolarHBondContact O-N 3.01Å
877P50.1Low57.4Low31 Ų3174.4 Ų74.420%0.20140%0.403CS..  trans-115.7159.3-179.8621.9000111.2M875 N879 E881M875-P877 HydrophobicContact CB-CG 3.77Å; M875-P877 HydrophobicContact CG-CG 4.43Å; M875-P877 VanDerWaalsContact O-CD 3.26Å; M875-P877 WeakPolarHBondContact O-CD 3.16Å; P877-N879 PolarHBondContact O-N 3.42Å; P877-E881 HydrophobicContact CB-CB 4.04Å; P877-E881 HydrophobicContact CB-CG 4.28Å; P877-E881 WeakPolarHBondContact CB-OE2 3.35Å; P877-E881 HydrophobicContact CG-CB 3.76Å; P877-E881 HydrophobicContact CG-CG 4.45Å; P877-E881 WeakPolarHBondContact CG-OE2 3.35Å
878P49.4Very low57.1Low111 Ų11179 Ų7972%0.72142%0.423SS*.THydrogen-bonded Turntrans-71.8123.5-163.929.6-32000111.1G880P878-G880 PolarHBondContact O-N 2.93Å
879N52.2Low57.3Low175 Ų17577.7 Ų77.794%0.93642%0.418SS*.THydrogen-bonded Turntrans58.726.6158.3-62.1-8.1000119.9P877P877-N879 PolarHBondContact O-N 3.42Å
880G54.5Low58.2Low38 Ų3882.6 Ų82.639%0.39244%0.435SS..SBendtrans168.2-15.6166.700000118.9P878 V882 V883 T884P878-G880 PolarHBondContact O-N 2.93Å; G880-V882 PolarHBondContact O-N 3.5Å; G880-V883 PolarHBondContact O-N 3.32Å; G880-T884 PolarHBondContact O-N 3.31Å
881E52.8Low59.5Low101 Ų10178.8 Ų78.847%0.47243%0.432SS..Hα-helixtrans-67.3-30.5-172.3-75.7-173.1171.400114.9P877 V883 T884 V885P877-E881 HydrophobicContact CB-CB 4.04Å; P877-E881 HydrophobicContact CB-CG 4.28Å; P877-E881 WeakPolarHBondContact CB-OE2 3.35Å; P877-E881 HydrophobicContact CG-CB 3.76Å; P877-E881 HydrophobicContact CG-CG 4.45Å; P877-E881 WeakPolarHBondContact CG-OE2 3.35Å; E881-V883 VanDerWaalsContact C-N 3.33Å; E881-V883 PolarHBondContact O-N 3.11Å; E881-T884 PolarHBondContact O-N 2.89Å; E881-T884 PolarHBondContact O-OG1 3.16Å; E881-V885 WeakPolarHBondContact O-CG2 3.01Å; E881-V885 PolarHBondContact O-N 3.48Å; E881-V885 VanDerWaalsContact O-N 3.13Å
882V51.6Low60.9Low54 Ų5478.6 Ų78.633%0.32743%0.427SS..Hα-helixtrans-64.2-39.9178.6-179.30000111.4G880 T884 V885 I886G880-V882 PolarHBondContact O-N 3.5Å; V882-T884 VanDerWaalsContact C-N 3.34Å; V882-T884 PolarHBondContact O-N 2.54Å; V882-V885 PolarHBondContact O-N 3.12Å; V882-I886 HydrophobicContact CG1-CD1 4.22Å; V882-I886 WeakPolarHBondContact O-CG1 3.39Å; V882-I886 PolarHBondContact O-N 3.04Å
883V58.2Low62.6Low91 Ų9178.1 Ų78.155%0.55243%0.425SS*.Hα-helixtrans-65.2-40.1177.2-179.70000110.3G880 E881 V885 I886 D887G880-V883 PolarHBondContact O-N 3.32Å; E881-V883 VanDerWaalsContact C-N 3.33Å; E881-V883 PolarHBondContact O-N 3.11Å; V883-V885 PolarHBondContact O-N 3.22Å; V883-I886 PolarHBondContact O-N 3.36Å; V883-D887 WeakPolarHBondContact O-CB 3.49Å; V883-D887 PolarHBondContact O-N 2.87Å
884T66.6Low64.5Low84 Ų8478.8 Ų78.852%0.51543%0.433SS..Hα-helixtrans-66.7-35.5-179.867.60000112.7G880 E881 V882 K888G880-T884 PolarHBondContact O-N 3.31Å; E881-T884 PolarHBondContact O-N 2.89Å; E881-T884 PolarHBondContact O-OG1 3.16Å; V882-T884 VanDerWaalsContact C-N 3.34Å; V882-T884 PolarHBondContact O-N 2.54Å; T884-K888 VanDerWaalsContact O-CB 3.24Å; T884-K888 WeakPolarHBondContact O-CB 3.43Å; T884-K888 PolarHBondContact O-N 2.84Å
885V67.2Low66.4Low47 Ų4774.7 Ų74.729%0.28542%0.419SS..Hα-helixtrans-69.1-43.9178175.50000111.5M872 E881 V882 V883 K888 A889M872-V885 HydrophobicContact CB-CG1 4.39Å; M872-V885 HydrophobicContact CE-CG1 3.98Å; M872-V885 HydrophobicContact CG-CG1 3.78Å; M872-V885 HydrophobicContact SD-CG1 4.42Å; E881-V885 WeakPolarHBondContact O-CG2 3.01Å; E881-V885 PolarHBondContact O-N 3.48Å; E881-V885 VanDerWaalsContact O-N 3.13Å; V882-V885 PolarHBondContact O-N 3.12Å; V883-V885 PolarHBondContact O-N 3.22Å; V885-K888 PolarHBondContact O-N 3.41Å; V885-A889 WeakPolarHBondContact O-CB 3.18Å; V885-A889 PolarHBondContact O-N 3.49Å
886I71.1Confident68.5Low39 Ų3972.2 Ų72.220%0.241%0.407CS..Hα-helixtrans-63.1-44.7176.4-67.2173.7000110.4V882 V883 A889 R890 L908V882-I886 HydrophobicContact CG1-CD1 4.22Å; V882-I886 WeakPolarHBondContact O-CG1 3.39Å; V882-I886 PolarHBondContact O-N 3.04Å; V883-I886 PolarHBondContact O-N 3.36Å; I886-A889 PolarHBondContact O-N 3.1Å; I886-R890 WeakPolarHBondContact O-CB 3.34Å; I886-R890 PolarHBondContact O-N 2.69Å; I886-L908 HydrophobicContact CG2-CD1 3.62Å
887D76Confident70.7Confident82 Ų8264.7 Ų64.744%0.43937%0.367SS..Hα-helixtrans-65.6-39177.4-76.2-26.5000112V883 R890 S891V883-D887 WeakPolarHBondContact O-CB 3.49Å; V883-D887 PolarHBondContact O-N 2.87Å; D887-R890 PolarHBondContact O-N 3.23Å; D887-S891 VanDerWaalsContact O-CB 3.26Å; D887-S891 WeakPolarHBondContact O-CB 3.46Å; D887-S891 PolarHBondContact O-N 2.74Å
888K75.9Confident72.4Confident96 Ų9671.1 Ų71.142%0.41739%0.392SS..Hα-helixtrans-62.3-44.3174.6-170.9170.2-176.1171.70111.1E826 T884 V885 S891 Q892E826-K888 IonicContact OE1-NZ 3.24Å; E826-K888 PolarHBondContact OE1-NZ 3.35Å; T884-K888 VanDerWaalsContact O-CB 3.24Å; T884-K888 WeakPolarHBondContact O-CB 3.43Å; T884-K888 PolarHBondContact O-N 2.84Å; V885-K888 PolarHBondContact O-N 3.41Å; K888-S891 WeakPolarHBondContact O-CB 3.33Å; K888-S891 PolarHBondContact O-N 2.9Å; K888-Q892 WeakPolarHBondContact O-CG 3.33Å; K888-Q892 PolarHBondContact O-N 3Å
889A77.3Confident74.2Confident3 Ų369.8 Ų69.83%0.02538%0.378CS..Hα-helixtrans-62.6-46.6175.700000112.9Y829 M872 V885 I886 S891 Q892 L893Y829-A889 HydrophobicContact CD2-CB 4.07Å; Y829-A889 HydrophobicContact CE2-CB 3.52Å; M872-A889 HydrophobicContact CE-CB 3.55Å; V885-A889 WeakPolarHBondContact O-CB 3.18Å; V885-A889 PolarHBondContact O-N 3.49Å; I886-A889 PolarHBondContact O-N 3.1Å; A889-S891 VanDerWaalsContact C-N 3.29Å; A889-S891 PolarHBondContact O-N 2.88Å; A889-Q892 PolarHBondContact O-N 2.75Å; A889-L893 WeakPolarHBondContact O-CG 3.37Å; A889-L893 PolarHBondContact O-N 3.3Å
890R82.8Confident75.7Confident118 Ų11862.8 Ų62.845%0.44534%0.341SS..Hα-helixtrans-60-41.2175179.4179.8-85.5178.6-5.8111.2I886 D887 L893 S894 L908I886-R890 WeakPolarHBondContact O-CB 3.34Å; I886-R890 PolarHBondContact O-N 2.69Å; D887-R890 PolarHBondContact O-N 3.23Å; R890-L893 PolarHBondContact O-N 2.78Å; R890-S894 WeakPolarHBondContact O-CB 3.32Å; R890-S894 PolarHBondContact O-N 2.78Å; R890-L908 HydrophobicContact CB-CD1 4.14Å
891S83.3Confident77.3Confident71 Ų7169.6 Ų69.650%0.49736%0.355SS..Hα-helixtrans-63.4-42.9176.7-175.80000112.2D887 K888 A889 S894 T895D887-S891 VanDerWaalsContact O-CB 3.26Å; D887-S891 WeakPolarHBondContact O-CB 3.46Å; D887-S891 PolarHBondContact O-N 2.74Å; K888-S891 WeakPolarHBondContact O-CB 3.33Å; K888-S891 PolarHBondContact O-N 2.9Å; A889-S891 VanDerWaalsContact C-N 3.29Å; A889-S891 PolarHBondContact O-N 2.88Å; S891-S894 PolarHBondContact O-N 2.82Å; S891-T895 WeakPolarHBondContact O-CB 3.3Å; S891-T895 PolarHBondContact O-N 2.82Å; S891-T895 PolarHBondContact O-OG1 2.84Å
892Q82.6Confident79Confident46 Ų4665.1 Ų65.122%0.21533%0.334CS..Hα-helixtrans-62.1-48.1175.1-75.1173.2-16.700112.3E826 K888 A889 S894 T895 L896E826-Q892 VanDerWaalsContact C-NE2 3.26Å; E826-Q892 PolarHBondContact O-NE2 2.93Å; E826-Q892 VanDerWaalsContact O-NE2 3.1Å; K888-Q892 WeakPolarHBondContact O-CG 3.33Å; K888-Q892 PolarHBondContact O-N 3Å; A889-Q892 PolarHBondContact O-N 2.75Å; Q892-S894 VanDerWaalsContact C-N 3.33Å; Q892-S894 PolarHBondContact O-N 2.86Å; Q892-T895 WeakPolarHBondContact O-CB 3.47Å; Q892-T895 PolarHBondContact O-N 2.85Å; Q892-L896 PolarHBondContact O-N 3.48Å
893L85.8Confident80.7Confident1 Ų167.2 Ų67.21%0.00535%0.349CS..Hα-helixtrans-63.1-40.7177.1-72.6170.1000111.6Y829 I833 F866 A889 R890 T895 L896 L897 I906 L908Y829-L893 HydrophobicContact CD1-CD1 4.3Å; Y829-L893 HydrophobicContact CD1-CD2 4.22Å; Y829-L893 HydrophobicContact CD2-CD1 4.39Å; Y829-L893 HydrophobicContact CD2-CG 4.42Å; Y829-L893 HydrophobicContact CE1-CD1 4.41Å; Y829-L893 HydrophobicContact CG-CD1 4.27Å; Y829-L893 HydrophobicContact CG-CD2 4.01Å; Y829-L893 HydrophobicContact CG-CG 4.19Å; I833-L893 HydrophobicContact CD1-CD2 3.89Å; F866-L893 HydrophobicContact CB-CD1 4.13Å; F866-L893 HydrophobicContact CD1-CD1 4.22Å; F866-L893 HydrophobicContact CD1-CD2 3.94Å; F866-L893 HydrophobicContact CD2-CD1 3.79Å; F866-L893 HydrophobicContact CD2-CD2 4.45Å; F866-L893 HydrophobicContact CE1-CD2 3.72Å; F866-L893 HydrophobicContact CE2-CD1 4.21Å; F866-L893 HydrophobicContact CE2-CD2 4.22Å; F866-L893 HydrophobicContact CG-CD1 3.79Å; F866-L893 HydrophobicContact CG-CD2 4.31Å; F866-L893 HydrophobicContact CZ-CD2 3.86Å; A889-L893 WeakPolarHBondContact O-CG 3.37Å; A889-L893 PolarHBondContact O-N 3.3Å; R890-L893 PolarHBondContact O-N 2.78Å; L893-T895 VanDerWaalsContact C-N 3.34Å; L893-T895 PolarHBondContact O-N 3.44Å; L893-L896 PolarHBondContact O-N 3.43Å; L893-L897 WeakPolarHBondContact O-CG 3.5Å; L893-L897 PolarHBondContact O-N 2.96Å; L893-I906 HydrophobicContact CB-CD1 3.78Å; L893-I906 HydrophobicContact CB-CG2 4.39Å; L893-I906 HydrophobicContact CD1-CG2 4.07Å; L893-L908 HydrophobicContact CD1-CD2 3.95Å
894S87.1Confident82.2Confident61 Ų6163.8 Ų63.843%0.42733%0.33SS..Hα-helixtrans-61.9-43.1175.5-176.20000111.3R890 S891 Q892 L897 K898 I906R890-S894 WeakPolarHBondContact O-CB 3.32Å; R890-S894 PolarHBondContact O-N 2.78Å; S891-S894 PolarHBondContact O-N 2.82Å; Q892-S894 VanDerWaalsContact C-N 3.33Å; Q892-S894 PolarHBondContact O-N 2.86Å; S894-L897 PolarHBondContact O-N 3.37Å; S894-K898 WeakPolarHBondContact O-CB 3.44Å; S894-K898 PolarHBondContact O-N 3.32Å; S894-I906 VanDerWaalsContact CA-CD1 3.46Å; S894-I906 VanDerWaalsContact N-CD1 3.27Å
895T86.5Confident83.3Confident67 Ų6763.7 Ų63.741%0.41132%0.323SS..Hα-helixtrans-62.5-44.4174.9-56.80000111.2S891 Q892 L893 K898 N899S891-T895 WeakPolarHBondContact O-CB 3.3Å; S891-T895 PolarHBondContact O-N 2.82Å; S891-T895 PolarHBondContact O-OG1 2.84Å; Q892-T895 WeakPolarHBondContact O-CB 3.47Å; Q892-T895 PolarHBondContact O-N 2.85Å; L893-T895 VanDerWaalsContact C-N 3.34Å; L893-T895 PolarHBondContact O-N 3.44Å; T895-K898 PolarHBondContact O-N 3.48Å; T895-N899 WeakPolarHBondContact O-CB 3.4Å; T895-N899 PolarHBondContact O-N 3.25Å; T895-N899 PolarHBondContact O-ND2 2.86Å; T895-N899 PolarHBondContact O-OD1 3.21Å
896L85.1Confident84.4Confident38 Ų3862.6 Ų62.620%0.19932%0.316CS..Hα-helixtrans-60.4-51.2176.6-179.9145.3000111.8I833 Q892 L893 K898 N899 L900I833-L896 HydrophobicContact CD1-CD1 4.37Å; I833-L896 HydrophobicContact CD1-CD2 4.4Å; Q892-L896 PolarHBondContact O-N 3.48Å; L893-L896 PolarHBondContact O-N 3.43Å; L896-K898 VanDerWaalsContact C-N 3.31Å; L896-K898 PolarHBondContact O-N 2.95Å; L896-N899 PolarHBondContact O-N 2.86Å; L896-L900 HydrophobicContact CD2-CD1 3.7Å; L896-L900 HydrophobicContact CG-CD1 4.34Å; L896-L900 WeakPolarHBondContact O-CG 3.48Å; L896-L900 PolarHBondContact O-N 3.41Å
897L87.9Confident85.2Confident5 Ų563.6 Ų63.63%0.02632%0.319CS..Hα-helixtrans-64.6-35.6178.6-70.5-178.4000112.3L841 L893 S894 L900 R901 I902 A904 I906L841-L897 HydrophobicContact CD1-CD2 4.11Å; L841-L897 HydrophobicContact CD2-CD2 4.08Å; L893-L897 WeakPolarHBondContact O-CG 3.5Å; L893-L897 PolarHBondContact O-N 2.96Å; S894-L897 PolarHBondContact O-N 3.37Å; L897-L900 CarbonylContact O-C 3.53Å; L897-L900 PolarHBondContact O-N 3.36Å; L897-R901 WeakPolarHBondContact O-CA 3.42Å; L897-R901 PolarHBondContact O-N 2.9Å; L897-I902 HydrophobicContact CD2-CB 4.18Å; L897-I902 HydrophobicContact CD2-CG2 4.33Å; L897-I902 PolarHBondContact O-N 2.99Å; L897-A904 HydrophobicContact CD1-CB 4.07Å; L897-I906 HydrophobicContact CD1-CD1 3.95Å; L897-I906 HydrophobicContact CD1-CG1 3.64Å
898K87.4Confident85.6Confident165 Ų16560.7 Ų60.772%0.71730%0.304SS*.Hα-helixtrans-64.3-44.8174.2-174.4179.5179.8-176.80111.4S894 T895 L896 L900 R901S894-K898 WeakPolarHBondContact O-CB 3.44Å; S894-K898 PolarHBondContact O-N 3.32Å; T895-K898 PolarHBondContact O-N 3.48Å; L896-K898 VanDerWaalsContact C-N 3.31Å; L896-K898 PolarHBondContact O-N 2.95Å; K898-L900 VanDerWaalsContact C-N 3.34Å; K898-L900 PolarHBondContact O-N 3.47Å; K898-R901 WeakPolarHBondContact O-CA 3.46Å; K898-R901 PolarHBondContact O-N 2.9Å
899N85.7Confident85.9Confident83 Ų8356.1 Ų56.144%0.44428%0.284SS..Hα-helixtrans-62.7-42176.1-68.8-7000111T895 L896 R901T895-N899 WeakPolarHBondContact O-CB 3.4Å; T895-N899 PolarHBondContact O-N 3.25Å; T895-N899 PolarHBondContact O-ND2 2.86Å; T895-N899 PolarHBondContact O-OD1 3.21Å; L896-N899 PolarHBondContact O-N 2.86Å; N899-R901 PolarHBondContact O-N 3.39Å
900L85.1Confident85.8Confident28 Ų2858.9 Ų58.915%0.14730%0.298CS..THydrogen-bonded Turntrans-72.4-10173.7-65.1-179.6000113.7L838 L896 L897 K898 I902 T994L838-L900 HydrophobicContact CD2-CD1 3.76Å; L896-L900 HydrophobicContact CD2-CD1 3.7Å; L896-L900 HydrophobicContact CG-CD1 4.34Å; L896-L900 WeakPolarHBondContact O-CG 3.48Å; L896-L900 PolarHBondContact O-N 3.41Å; L897-L900 CarbonylContact O-C 3.53Å; L897-L900 PolarHBondContact O-N 3.36Å; K898-L900 VanDerWaalsContact C-N 3.34Å; K898-L900 PolarHBondContact O-N 3.47Å; L900-I902 VanDerWaalsContact C-N 3.28Å; L900-I902 HydrophobicContact CB-CD1 3.9Å; L900-I902 HydrophobicContact CB-CG1 3.98Å; L900-I902 HydrophobicContact CD1-CD1 4.16Å; L900-I902 PolarHBondContact O-N 3.48Å; L900-T994 HydrophobicContact CD2-CG2 4.46Å
901R87.3Confident85.1Confident182 Ų18254.1 Ų54.169%0.68728%0.281SS*.THydrogen-bonded Turntrans56.139.1-174.9-52.7179.8-177.6-179.31.1113.2L897 K898 N899 P903L897-R901 WeakPolarHBondContact O-CA 3.42Å; L897-R901 PolarHBondContact O-N 2.9Å; K898-R901 WeakPolarHBondContact O-CA 3.46Å; K898-R901 PolarHBondContact O-N 2.9Å; N899-R901 PolarHBondContact O-N 3.39Å; R901-P903 WeakPolarHBondContact O-CD 3.27Å
902I87.8Confident84.1Confident6 Ų653.5 Ų53.53%0.03127%0.272CS..  trans-102.3106.8176.2-60.7173.9000108.2L841 C845 L862 L897 L900 A904L841-I902 HydrophobicContact CB-CD1 3.93Å; C845-I902 HydrophobicContact CB-CG1 4.18Å; C845-I902 HydrophobicContact CB-CG2 4.14Å; L862-I902 HydrophobicContact CD1-CG2 3.93Å; L897-I902 HydrophobicContact CD2-CB 4.18Å; L897-I902 HydrophobicContact CD2-CG2 4.33Å; L897-I902 PolarHBondContact O-N 2.99Å; L900-I902 VanDerWaalsContact C-N 3.28Å; L900-I902 HydrophobicContact CB-CD1 3.9Å; L900-I902 HydrophobicContact CB-CG1 3.98Å; L900-I902 HydrophobicContact CD1-CD1 4.16Å; L900-I902 PolarHBondContact O-N 3.48Å; I902-A904 VanDerWaalsContact C-N 3.33Å; I902-A904 HydrophobicContact CG2-CB 4.26Å; I902-A904 PolarHBondContact O-N 3.29Å
903P87.3Confident82.7Confident99 Ų9955.4 Ų55.464%0.64329%0.291SS*.  trans-79.481.9-179.532.7-34000110R901R901-P903 WeakPolarHBondContact O-CD 3.27Å
904A90.9Very high81Confident18 Ų1859.6 Ų59.615%0.14932%0.32CS..EExtended strand (participates in β ladder)trans-118139.1175.500000112.1L862 A864 L897 I902L862-A904 HydrophobicContact CB-CB 3.57Å; L862-A904 CarbonylContact O-C 3.58Å; L862-A904 VanDerWaalsContact O-CA 3.27Å; L862-A904 WeakPolarHBondContact O-CA 3.44Å; A864-A904 HydrophobicContact CB-CB 4.18Å; L897-A904 HydrophobicContact CD1-CB 4.07Å; I902-A904 VanDerWaalsContact C-N 3.33Å; I902-A904 HydrophobicContact CG2-CB 4.26Å; I902-A904 PolarHBondContact O-N 3.29Å
905E90.3Very high79Confident82 Ų8260.7 Ų60.738%0.38332%0.324SS..EExtended strand (participates in β ladder)trans-73126171.5-65.3175.1-178.500108.5K861 L862 R863 A864K861-E905 IonicContact NZ-OE1 3Å; K861-E905 PolarHBondContact NZ-OE1 3.21Å; K861-E905 VanDerWaalsContact NZ-OE1 3.16Å; L862-E905 PolarHBondContact O-N 2.91Å; R863-E905 CarbonylContact C-O 3.53Å; R863-E905 WeakPolarHBondContact CA-O 3.3Å; R863-E905 HydrophobicContact CG-CB 4.38Å; A864-E905 PolarHBondContact N-O 3.48Å
906I89.9Confident76.9Confident24 Ų2461.4 Ų61.412%0.12332%0.324CS..EExtended strand (participates in β ladder)trans-92122-176.8-62.5162.1000109.8F866 L893 S894 L897F866-I906 HydrophobicContact CD2-CG2 4Å; F866-I906 HydrophobicContact CE2-CG2 4.26Å; L893-I906 HydrophobicContact CB-CD1 3.78Å; L893-I906 HydrophobicContact CB-CG2 4.39Å; L893-I906 HydrophobicContact CD1-CG2 4.07Å; S894-I906 VanDerWaalsContact CA-CD1 3.46Å; S894-I906 VanDerWaalsContact N-CD1 3.27Å; L897-I906 HydrophobicContact CD1-CD1 3.95Å; L897-I906 HydrophobicContact CD1-CG1 3.64Å
907H88Confident74.9Confident60 Ų6068.4 Ų68.428%0.27835%0.353SS..EExtended strand (participates in β ladder)trans-114.5117.1174.4-67.9-86.7000110.1A864 F865 F866A864-H907 PolarHBondContact O-N 3.09Å; F865-H907 WeakPolarHBondContact CA-O 3.4Å; F865-H907 HydrophobicContact CD1-CB 3.43Å; F865-H907 VanDerWaalsContact CD1-CB 3.43Å; F865-H907 HydrophobicContact CE1-CB 3.6Å; F865-H907 AromaticContact CE1-CD2 3.98Å; F865-H907 AromaticContact CE1-CG 3.74Å; F865-H907 HydrophobicContact CG-CB 4.26Å; F866-H907 PolarHBondContact N-O 3.38Å
908L84.5Confident72.7Confident21 Ų2177.2 Ų77.211%0.1139%0.391CS..EExtended strand (participates in β ladder)trans-89.4119.1173.1-67.7175.1000108.8F866 Q868 I886 R890 L893F866-L908 HydrophobicContact CB-CD2 4.05Å; F866-L908 CarbonylContact O-C 3.56Å; F866-L908 WeakPolarHBondContact O-CA 3.45Å; Q868-L908 HydrophobicContact CG-CB 4.01Å; Q868-L908 PolarHBondContact NE2-O 3.03Å; I886-L908 HydrophobicContact CG2-CD1 3.62Å; R890-L908 HydrophobicContact CB-CD1 4.14Å; L893-L908 HydrophobicContact CD1-CD2 3.95Å
909V82Confident70.5Confident0 Ų074.2 Ų74.20%038%0.383CS..EExtended strand (participates in β ladder)trans-101.9117.1-171.6169.30000109.4W804 F865 F866 P867 Q868 M911 L941 Y945W804-V909 HydrophobicContact CH2-CB 4.41Å; W804-V909 HydrophobicContact CH2-CG1 4.13Å; W804-V909 HydrophobicContact CH2-CG2 3.78Å; W804-V909 HydrophobicContact CZ3-CB 4.48Å; W804-V909 HydrophobicContact CZ3-CG1 4.36Å; W804-V909 HydrophobicContact CZ3-CG2 4.13Å; F865-V909 HydrophobicContact CB-CG2 4.2Å; F865-V909 HydrophobicContact CD1-CG2 3.93Å; F866-V909 PolarHBondContact O-N 3.33Å; P867-V909 CarbonylContact C-O 3.54Å; P867-V909 WeakPolarHBondContact CA-O 3.37Å; Q868-V909 WeakPolarHBondContact CG-O 3.48Å; Q868-V909 PolarHBondContact N-O 3.09Å; V909-M911 HydrophobicContact CG1-SD 3.97Å; V909-M911 PolarHBondContact O-N 3.33Å; V909-L941 HydrophobicContact CG1-CD1 4.41Å; V909-L941 HydrophobicContact CG1-CD2 3.75Å; V909-L941 HydrophobicContact CG1-CG 4.47Å; V909-Y945 HydrophobicContact CB-CE2 4.4Å; V909-Y945 HydrophobicContact CG1-CD2 4.2Å; V909-Y945 HydrophobicContact CG1-CE2 3.62Å; V909-Y945 HydrophobicContact CG2-CD1 4.22Å; V909-Y945 HydrophobicContact CG2-CD2 4.27Å; V909-Y945 HydrophobicContact CG2-CE1 4.09Å; V909-Y945 HydrophobicContact CG2-CE2 4.17Å; V909-Y945 HydrophobicContact CG2-CG 4.31Å
910D75.1Confident68.4Low61 Ų6174.2 Ų74.233%0.32639%0.389SS..PPolyproline II helixtrans-72.3125.7172.9-174.69.9000109.9D912D910-D912 WeakPolarHBondContact OD1-CB 3.45Å; D910-D912 PolarHBondContact OD1-N 2.91Å
911M68.1Low66.3Low18 Ų1881.5 Ų81.59%0.08943%0.425CS..  trans-97.9-4.1-179.5-62.3-67.6-67.200112.3F811 Y812 P867 V909 L938 L941F811-M911 HydrophobicContact CE1-CG 4.09Å; Y812-M911 HydrophobicContact CD2-CE 3.68Å; Y812-M911 HydrophobicContact CE2-CE 4.37Å; P867-M911 HydrophobicContact CB-CG 3.63Å; P867-M911 HydrophobicContact CB-SD 4.04Å; V909-M911 HydrophobicContact CG1-SD 3.97Å; V909-M911 PolarHBondContact O-N 3.33Å; M911-L938 HydrophobicContact CE-CD2 3.74Å; M911-L941 HydrophobicContact CE-CD1 3.99Å; M911-L941 HydrophobicContact SD-CD1 3.54Å; M911-L941 VanDerWaalsContact SD-CD1 3.54Å; M911-L941 HydrophobicContact SD-CD2 4.3Å
912D61.9Low64Low58 Ų5879.6 Ų79.631%0.3143%0.427SS..  trans-71.2148.3-171.1-91.8-2.3000114.7N873 D910 S914N873-D912 PolarHBondContact ND2-OD2 3.34Å; D910-D912 WeakPolarHBondContact OD1-CB 3.45Å; D910-D912 PolarHBondContact OD1-N 2.91Å; D912-S914 PolarHBondContact O-N 3.07Å
913S53.1Low61.5Low86 Ų8688.2 Ų88.260%0.60146%0.464SS*.G310 helixtrans-56.4-0.8-169.565.50000117.9V915 M916S913-V915 PolarHBondContact O-N 3.16Å; S913-M916 VanDerWaalsContact O-CB 3.24Å; S913-M916 WeakPolarHBondContact O-CB 3.43Å; S913-M916 PolarHBondContact O-N 2.95Å
914S49.9Very low59.3Low89 Ų8989.9 Ų89.962%0.62247%0.468SS*.G310 helixtrans-62.6-28.4-179.966.60000112.1D912D912-S914 PolarHBondContact O-N 3.07Å
915V46Very low56.9Low85 Ų8595.2 Ų95.252%0.51549%0.493SS..G310 helixtrans-74.5-25.9172.6-175.30000112.4S913 K917 K918S913-V915 PolarHBondContact O-N 3.16Å; V915-K917 VanDerWaalsContact C-N 3.29Å; V915-K917 PolarHBondContact O-N 3.43Å; V915-K918 PolarHBondContact O-N 2.87Å
916M42.3Very low54.6Low81 Ų8197.9 Ų97.940%0.39951%0.51SS..THydrogen-bonded Turntrans-62-30.4175.7-82.2-82.6-176.800113.1Y812 S913 K918 N919 S920 Y937Y812-M916 WeakPolarHBondContact OH-CE 3.29Å; S913-M916 VanDerWaalsContact O-CB 3.24Å; S913-M916 WeakPolarHBondContact O-CB 3.43Å; S913-M916 PolarHBondContact O-N 2.95Å; M916-K918 PolarHBondContact O-N 3.29Å; M916-N919 PolarHBondContact O-N 3.36Å; M916-S920 PolarHBondContact O-N 3.21Å; M916-Y937 HydrophobicContact CE-CD2 3.99Å; M916-Y937 HydrophobicContact CE-CE2 4.4Å; M916-Y937 HydrophobicContact CE-CG 4.09Å
917K42.6Very low52.7Low186 Ų186104.1 Ų104.181%0.80954%0.543SS*.THydrogen-bonded Turntrans-69.1-20179.7-83.7-175179177.80113.7V915 S920V915-K917 VanDerWaalsContact C-N 3.29Å; V915-K917 PolarHBondContact O-N 3.43Å; K917-S920 PolarHBondContact O-OG 3.32Å
918K42.8Very low51Low189 Ų189107.6 Ų107.682%0.82256%0.564SS**THydrogen-bonded Turntrans-82.6-25.1178.4-121.2177.3-179.8178.40113.1V915 M916V915-K918 PolarHBondContact O-N 2.87Å; M916-K918 PolarHBondContact O-N 3.29Å
919N40.9Very low49.7Very low103 Ų103108.4 Ų108.455%0.55157%0.57SS**SBendtrans-112.113.2-177.8-73.1-3.7000114.1M916 M921M916-N919 PolarHBondContact O-N 3.36Å; N919-M921 PolarHBondContact O-N 2.86Å
920S41.4Very low48.9Very low83 Ų83112 Ų11258%0.5859%0.589SS**  trans-70.521176.859.50000115.3M916 K917 L922M916-S920 PolarHBondContact O-N 3.21Å; K917-S920 PolarHBondContact O-OG 3.32Å; S920-L922 VanDerWaalsContact C-N 3.28Å; S920-L922 PolarHBondContact O-N 3.43Å
921M40.4Very low48.6Very low181 Ų181112.7 Ų112.789%0.89259%0.593SS**  trans-89.827.9171.7-82.8-83.5-147.600112.9N919N919-M921 PolarHBondContact O-N 2.86Å
922L39.6Very low49.1Very low141 Ų141113.9 Ų113.974%0.73860%0.599SS**  trans-130.564.8171.2-133.982000110.3S920S920-L922 VanDerWaalsContact C-N 3.28Å; S920-L922 PolarHBondContact O-N 3.43Å
923K34.5Very low49.7Very low187 Ų187115.4 Ų115.481%0.81360%0.601SS**  trans-82.4138.2169-100.5177.9173.31790109.2
924N41.3Very low50.9Low135 Ų135115.8 Ų115.872%0.72259%0.589SS**  trans100140.7175.5-51.2-19.4000114.1R933N924-R933 PolarHBondContact O-NH2 3.45Å
925I41Very low52.5Low129 Ų129111.8 Ų111.866%0.66256%0.561SS**  trans108.7133.6178.5-50.8157.7000113.8T929 R933I925-T929 HydrophobicContact CG2-CG2 3.72Å; I925-T929 PolarHBondContact O-OG1 2.86Å; I925-T929 VanDerWaalsContact O-OG1 3.06Å; I925-R933 PolarHBondContact O-NH1 2.97Å; I925-R933 PolarHBondContact O-NH2 3.2Å
926D42.1Very low54.3Low138 Ų138111.3 Ų111.374%0.73855%0.554SS**  trans-62.5168.9-156.5-57.9-40.7000119.2N928 T929D926-N928 PolarHBondContact O-N 3.38Å; D926-N928 VanDerWaalsContact O-N 3.12Å; D926-T929 VanDerWaalsContact O-CB 3.26Å; D926-T929 WeakPolarHBondContact O-CB 3.37Å; D926-T929 WeakPolarHBondContact O-CG2 3.11Å; D926-T929 PolarHBondContact O-N 2.89Å; D926-T929 PolarHBondContact O-OG1 3.19Å
927D49.3Very low56.1Low155 Ų155108.6 Ų108.683%0.82954%0.54SS*.THydrogen-bonded Turntrans-50.8-33.9-166.9-75.9-32.7000117.3T929 N930D927-T929 PolarHBondContact O-N 3.16Å; D927-N930 PolarHBondContact O-N 2.8Å; D927-N930 VanDerWaalsContact O-N 3.15Å
928N51.6Low58.1Low134 Ų13499.8 Ų99.872%0.71750%0.502SS*.THydrogen-bonded Turntrans-69-12.9176.1-132.59.8000112.4D926D926-N928 PolarHBondContact O-N 3.38Å; D926-N928 VanDerWaalsContact O-N 3.12Å
929T57.7Low60.3Low37 Ų3791.4 Ų91.423%0.22747%0.466CS..Hα-helixtrans-81.5-14.9173.767.50000113.8I925 D926 D927 D931 N932 R933I925-T929 HydrophobicContact CG2-CG2 3.72Å; I925-T929 PolarHBondContact O-OG1 2.86Å; I925-T929 VanDerWaalsContact O-OG1 3.06Å; D926-T929 VanDerWaalsContact O-CB 3.26Å; D926-T929 WeakPolarHBondContact O-CB 3.37Å; D926-T929 WeakPolarHBondContact O-CG2 3.11Å; D926-T929 PolarHBondContact O-N 2.89Å; D926-T929 PolarHBondContact O-OG1 3.19Å; D927-T929 PolarHBondContact O-N 3.16Å; T929-D931 PolarHBondContact O-N 3.41Å; T929-N932 PolarHBondContact O-N 3.44Å; T929-R933 WeakPolarHBondContact O-CB 3.47Å; T929-R933 VanDerWaalsContact O-CG 3.26Å; T929-R933 WeakPolarHBondContact O-CG 3.13Å; T929-R933 PolarHBondContact O-N 3.19Å
930N66.4Low62.4Low77 Ų7790.9 Ų90.941%0.41246%0.46SS..Hα-helixtrans-63.6-48.5-176.4-159.41.2000110.6D927 N932 R933 R934D927-N930 PolarHBondContact O-N 2.8Å; D927-N930 VanDerWaalsContact O-N 3.15Å; N930-N932 PolarHBondContact O-N 3.15Å; N930-R933 WeakPolarHBondContact O-CB 3.4Å; N930-R933 PolarHBondContact O-N 3.02Å; N930-R934 VanDerWaalsContact O-CG 3.24Å; N930-R934 WeakPolarHBondContact O-CG 3.32Å; N930-R934 PolarHBondContact O-N 3.21Å
931D68.7Low64.5Low75 Ų7587.3 Ų87.340%0.40144%0.435SS..Hα-helixtrans-63.1-41.6176.9-72.9-20.2000112.7T929 R933 R934 I935T929-D931 PolarHBondContact O-N 3.41Å; D931-R933 PolarHBondContact O-N 3.46Å; D931-R934 WeakPolarHBondContact O-CB 3.39Å; D931-R934 PolarHBondContact O-N 3.45Å; D931-R934 IonicContact OD1-CZ 3.98Å; D931-R934 IonicContact OD1-NE 2.78Å; D931-R934 IonicContact OD1-NH1 2.92Å; D931-R934 PolarHBondContact OD1-NH1 3.36Å; D931-I935 VanDerWaalsContact O-CG1 3.26Å; D931-I935 WeakPolarHBondContact O-CG1 3.38Å; D931-I935 PolarHBondContact O-N 2.88Å
932N78.3Confident66.8Low43 Ų4378.8 Ų78.823%0.2339%0.392CS..Hα-helixtrans-63.3-40.7175-71.1-20.6000112T929 N930 R934 I935 I936 I976T929-N932 PolarHBondContact O-N 3.44Å; N930-N932 PolarHBondContact O-N 3.15Å; N932-R934 VanDerWaalsContact C-N 3.32Å; N932-R934 PolarHBondContact O-N 3.5Å; N932-I935 PolarHBondContact O-N 2.81Å; N932-I936 VanDerWaalsContact O-CG1 3.25Å; N932-I936 WeakPolarHBondContact O-CG1 3.43Å; N932-I936 PolarHBondContact O-N 3.38Å; N932-I976 HydrophobicContact CB-CD1 4.12Å
933R74.8Confident69Low90 Ų9074.8 Ų74.834%0.3437%0.371SS..Hα-helixtrans-60.8-40.9174.1-76.9177.4-178.1148.88111.4N924 I925 T929 N930 D931 I935 I936 Y937N924-R933 PolarHBondContact O-NH2 3.45Å; I925-R933 PolarHBondContact O-NH1 2.97Å; I925-R933 PolarHBondContact O-NH2 3.2Å; T929-R933 WeakPolarHBondContact O-CB 3.47Å; T929-R933 VanDerWaalsContact O-CG 3.26Å; T929-R933 WeakPolarHBondContact O-CG 3.13Å; T929-R933 PolarHBondContact O-N 3.19Å; N930-R933 WeakPolarHBondContact O-CB 3.4Å; N930-R933 PolarHBondContact O-N 3.02Å; D931-R933 PolarHBondContact O-N 3.46Å; R933-I935 VanDerWaalsContact C-N 3.31Å; R933-I935 PolarHBondContact O-N 2.78Å; R933-I936 PolarHBondContact O-N 3.07Å; R933-Y937 PolarHBondContact O-N 2.96Å
934R77.1Confident71.5Confident93 Ų9370.1 Ų70.135%0.35136%0.362SS..Hα-helixtrans-60-42.7174.8-63.7173.6178.4169.5-12.3111.1Y812 N930 D931 N932 Y937 L938Y812-R934 HydrophobicContact CD1-CB 4.08Å; Y812-R934 HydrophobicContact CD1-CG 4.18Å; Y812-R934 HydrophobicContact CE1-CB 3.9Å; Y812-R934 HydrophobicContact CE1-CG 3.71Å; N930-R934 VanDerWaalsContact O-CG 3.24Å; N930-R934 WeakPolarHBondContact O-CG 3.32Å; N930-R934 PolarHBondContact O-N 3.21Å; D931-R934 WeakPolarHBondContact O-CB 3.39Å; D931-R934 PolarHBondContact O-N 3.45Å; D931-R934 IonicContact OD1-CZ 3.98Å; D931-R934 IonicContact OD1-NE 2.78Å; D931-R934 IonicContact OD1-NH1 2.92Å; D931-R934 PolarHBondContact OD1-NH1 3.36Å; N932-R934 VanDerWaalsContact C-N 3.32Å; N932-R934 PolarHBondContact O-N 3.5Å; R934-Y937 WeakPolarHBondContact O-CB 3.26Å; R934-Y937 PolarHBondContact O-N 3.27Å; R934-L938 WeakPolarHBondContact O-CG 3.38Å; R934-L938 PolarHBondContact O-N 2.88Å
935I83.2Confident73.6Confident5 Ų567.8 Ų67.83%0.02634%0.344CS..Hα-helixtrans-72.4-39.1-179.2-61167.4000111.8L809 D931 N932 R933 Y937 L938 N939 Q973 I976 L977L809-I935 HydrophobicContact CD2-CD1 4.05Å; L809-I935 HydrophobicContact CD2-CG1 3.62Å; D931-I935 VanDerWaalsContact O-CG1 3.26Å; D931-I935 WeakPolarHBondContact O-CG1 3.38Å; D931-I935 PolarHBondContact O-N 2.88Å; N932-I935 PolarHBondContact O-N 2.81Å; R933-I935 VanDerWaalsContact C-N 3.31Å; R933-I935 PolarHBondContact O-N 2.78Å; I935-Y937 VanDerWaalsContact C-N 3.26Å; I935-Y937 PolarHBondContact O-N 3.03Å; I935-L938 WeakPolarHBondContact O-CB 3.44Å; I935-L938 PolarHBondContact O-N 3.46Å; I935-L938 VanDerWaalsContact O-N 3.16Å; I935-N939 PolarHBondContact O-N 3.39Å; I935-Q973 HydrophobicContact CD1-CB 3.57Å; I935-Q973 HydrophobicContact CD1-CG 3.37Å; I935-Q973 WeakPolarHBondContact CG2-O 3.37Å; I935-I976 HydrophobicContact CB-CG2 4.14Å; I935-I976 HydrophobicContact CG2-CB 4.01Å; I935-I976 HydrophobicContact CG2-CG2 3.73Å; I935-L977 HydrophobicContact CG2-CB 3.71Å; I935-L977 HydrophobicContact CG2-CD1 4.31Å
936I83.7Confident75.8Confident75 Ų7562.8 Ų62.839%0.38532%0.321SS..Hα-helixtrans-57.9-43.5172.1-67.7165000109.8N932 R933 N939 Q940 I976N932-I936 VanDerWaalsContact O-CG1 3.25Å; N932-I936 WeakPolarHBondContact O-CG1 3.43Å; N932-I936 PolarHBondContact O-N 3.38Å; R933-I936 PolarHBondContact O-N 3.07Å; I936-N939 PolarHBondContact O-N 2.86Å; I936-Q940 WeakPolarHBondContact O-CG 3.37Å; I936-Q940 PolarHBondContact O-N 3.44Å; I936-I976 HydrophobicContact CB-CG2 4.35Å; I936-I976 HydrophobicContact CG1-CG2 3.42Å; I936-I976 VanDerWaalsContact CG1-CG2 3.42Å
937Y80.7Confident77.8Confident24 Ų2459 Ų599%0.09430%0.299CS..Hα-helixtrans-61.6-45.1174.8175.9-96.3000111.9Y812 M916 R933 R934 I935 N939 Q940 L941Y812-Y937 AromaticContact CE2-CD1 3.98Å; Y812-Y937 HydrophobicContact CE2-CD1 3.98Å; Y812-Y937 AromaticContact CE2-CE1 3.88Å; Y812-Y937 HydrophobicContact CE2-CE1 3.88Å; M916-Y937 HydrophobicContact CE-CD2 3.99Å; M916-Y937 HydrophobicContact CE-CE2 4.4Å; M916-Y937 HydrophobicContact CE-CG 4.09Å; R933-Y937 PolarHBondContact O-N 2.96Å; R934-Y937 WeakPolarHBondContact O-CB 3.26Å; R934-Y937 PolarHBondContact O-N 3.27Å; I935-Y937 VanDerWaalsContact C-N 3.26Å; I935-Y937 PolarHBondContact O-N 3.03Å; Y937-N939 VanDerWaalsContact C-N 3.32Å; Y937-N939 PolarHBondContact O-N 3.49Å; Y937-Q940 PolarHBondContact O-N 3.4Å; Y937-L941 HydrophobicContact CE1-CD1 3.75Å; Y937-L941 VanDerWaalsContact O-CB 3.24Å; Y937-L941 WeakPolarHBondContact O-CB 3.4Å; Y937-L941 PolarHBondContact O-N 3.5Å
938L85.2Confident79.4Confident2 Ų257.4 Ų57.41%0.0130%0.296CS..Hα-helixtrans-60.4-41.1175.9-70.5175.4000112.1L808 L809 Y812 M911 R934 I935 L941 V942 L977L808-L938 HydrophobicContact CB-CD1 4.26Å; L808-L938 HydrophobicContact CB-CD2 4.33Å; L809-L938 HydrophobicContact CD2-CD1 4Å; Y812-L938 HydrophobicContact CD2-CD2 4.25Å; Y812-L938 HydrophobicContact CG-CD2 4.3Å; M911-L938 HydrophobicContact CE-CD2 3.74Å; R934-L938 WeakPolarHBondContact O-CG 3.38Å; R934-L938 PolarHBondContact O-N 2.88Å; I935-L938 WeakPolarHBondContact O-CB 3.44Å; I935-L938 PolarHBondContact O-N 3.46Å; I935-L938 VanDerWaalsContact O-N 3.16Å; L938-L941 PolarHBondContact O-N 2.87Å; L938-V942 VanDerWaalsContact O-CG2 3.28Å; L938-V942 WeakPolarHBondContact O-CG2 3.49Å; L938-V942 PolarHBondContact O-N 3.27Å; L938-L977 HydrophobicContact CB-CD1 4.01Å
939N88.4Confident81Confident13 Ų1353.7 Ų53.77%0.0728%0.276CS..Hα-helixtrans-61.1-50174.4173.6-93.3000111.7I935 I936 Y937 L941 V942 L943 L977 D979I935-N939 PolarHBondContact O-N 3.39Å; I936-N939 PolarHBondContact O-N 2.86Å; Y937-N939 VanDerWaalsContact C-N 3.32Å; Y937-N939 PolarHBondContact O-N 3.49Å; N939-L941 VanDerWaalsContact C-N 3.26Å; N939-L941 PolarHBondContact O-N 3.18Å; N939-V942 PolarHBondContact O-N 3.4Å; N939-L943 WeakPolarHBondContact O-CB 3.28Å; N939-L943 WeakPolarHBondContact O-CG 3.41Å; N939-L943 PolarHBondContact O-N 3.23Å; N939-L943 WeakPolarHBondContact OD1-CD1 3.42Å; N939-L977 PolarHBondContact ND2-O 3.25Å; N939-D979 PolarHBondContact ND2-O 3.37Å
940Q85.7Confident82.5Confident91 Ų9152.1 Ų52.143%0.42527%0.267SS..Hα-helixtrans-61.2-36.7177.2-72.8-178.2-7.200112.3I936 Y937 S944I936-Q940 WeakPolarHBondContact O-CG 3.37Å; I936-Q940 PolarHBondContact O-N 3.44Å; Y937-Q940 PolarHBondContact O-N 3.4Å; Q940-S944 WeakPolarHBondContact O-CB 3.26Å; Q940-S944 PolarHBondContact O-N 2.88Å
941L85.2Confident83.5Confident9 Ų948.7 Ų48.75%0.04725%0.248CC..Hα-helixtrans-65-49.9175.1-172.3153.1000110.4W804 V909 M911 Y937 L938 N939 L943 S944 Y945W804-L941 HydrophobicContact CH2-CD2 3.46Å; W804-L941 VanDerWaalsContact CH2-CD2 3.46Å; W804-L941 HydrophobicContact CZ2-CD2 4.34Å; W804-L941 HydrophobicContact CZ3-CD2 4.05Å; V909-L941 HydrophobicContact CG1-CD1 4.41Å; V909-L941 HydrophobicContact CG1-CD2 3.75Å; V909-L941 HydrophobicContact CG1-CG 4.47Å; M911-L941 HydrophobicContact CE-CD1 3.99Å; M911-L941 HydrophobicContact SD-CD1 3.54Å; M911-L941 VanDerWaalsContact SD-CD1 3.54Å; M911-L941 HydrophobicContact SD-CD2 4.3Å; Y937-L941 HydrophobicContact CE1-CD1 3.75Å; Y937-L941 VanDerWaalsContact O-CB 3.24Å; Y937-L941 WeakPolarHBondContact O-CB 3.4Å; Y937-L941 PolarHBondContact O-N 3.5Å; L938-L941 PolarHBondContact O-N 2.87Å; N939-L941 VanDerWaalsContact C-N 3.26Å; N939-L941 PolarHBondContact O-N 3.18Å; L941-L943 VanDerWaalsContact C-N 3.26Å; L941-L943 PolarHBondContact O-N 2.98Å; L941-S944 PolarHBondContact O-N 3.01Å; L941-S944 PolarHBondContact O-OG 3.29Å; L941-Y945 HydrophobicContact CD2-CD2 4.06Å; L941-Y945 HydrophobicContact CD2-CE2 4.26Å; L941-Y945 HydrophobicContact CG-CD2 4.41Å; L941-Y945 HydrophobicContact CG-CE2 4.37Å; L941-Y945 WeakPolarHBondContact O-CD2 3.25Å; L941-Y945 PolarHBondContact O-N 3.06Å
942V87.6Confident84.6Confident1 Ų145.1 Ų45.11%0.00623%0.229CC..Hα-helixtrans-59.6-41178.4169.90000110.6W804 L808 L938 N939 C946 L953 L955 L981W804-V942 HydrophobicContact CD2-CG2 4.31Å; W804-V942 HydrophobicContact CH2-CG2 4.4Å; W804-V942 HydrophobicContact CZ2-CB 4.39Å; W804-V942 HydrophobicContact CZ2-CG2 4Å; L808-V942 HydrophobicContact CD1-CG2 3.85Å; L938-V942 VanDerWaalsContact O-CG2 3.28Å; L938-V942 WeakPolarHBondContact O-CG2 3.49Å; L938-V942 PolarHBondContact O-N 3.27Å; N939-V942 PolarHBondContact O-N 3.4Å; V942-C946 WeakPolarHBondContact O-CB 3.26Å; V942-C946 PolarHBondContact O-N 2.99Å; V942-L953 HydrophobicContact CG1-CD1 4.41Å; V942-L953 HydrophobicContact CG1-CD2 3.77Å; V942-L955 HydrophobicContact CG1-CD2 4.42Å; V942-L981 HydrophobicContact CG1-CD1 4.33Å; V942-L981 HydrophobicContact CG1-CD2 4.09Å
943L86.8Confident85.3Confident57 Ų5743 Ų4330%0.29822%0.218SC..Hα-helixtrans-62.9-42.2175.6-78.3168.4000113.3N939 L941 Y945 C946 T980 L981N939-L943 WeakPolarHBondContact O-CB 3.28Å; N939-L943 WeakPolarHBondContact O-CG 3.41Å; N939-L943 PolarHBondContact O-N 3.23Å; N939-L943 WeakPolarHBondContact OD1-CD1 3.42Å; L941-L943 VanDerWaalsContact C-N 3.26Å; L941-L943 PolarHBondContact O-N 2.98Å; L943-Y945 PolarHBondContact O-N 2.91Å; L943-C946 WeakPolarHBondContact O-CB 3.5Å; L943-C946 PolarHBondContact O-N 2.81Å; L943-C946 VanDerWaalsContact O-N 3.09Å; L943-T980 WeakPolarHBondContact CD1-OG1 3.45Å; L943-L981 HydrophobicContact CD1-CD2 4.27Å; L943-L981 HydrophobicContact CD2-CD2 3.44Å; L943-L981 VanDerWaalsContact CD2-CD2 3.44Å; L943-L981 HydrophobicContact CG-CD2 3.47Å; L943-L981 VanDerWaalsContact CG-CD2 3.47Å
944S85.9Confident86.3Confident89 Ų8938.8 Ų38.862%0.62220%0.202SC*.Hα-helixtrans-65.9-28.9-177730000112.9Q940 L941Q940-S944 WeakPolarHBondContact O-CB 3.26Å; Q940-S944 PolarHBondContact O-N 2.88Å; L941-S944 PolarHBondContact O-N 3.01Å; L941-S944 PolarHBondContact O-OG 3.29Å
945Y86.9Confident87.2Confident86 Ų8634.5 Ų34.534%0.33719%0.187SC..Hα-helixtrans-89.6-14.4173.5-76-80.8000113.7R863 F865 V909 L941 L943R863-Y945 PolarHBondContact NH2-O 3.48Å; F865-Y945 HydrophobicContact CD1-CD1 4.4Å; F865-Y945 HydrophobicContact CD1-CG 4.45Å; F865-Y945 HydrophobicContact CE1-CD1 4.15Å; F865-Y945 HydrophobicContact CE1-CG 4.33Å; V909-Y945 HydrophobicContact CB-CE2 4.4Å; V909-Y945 HydrophobicContact CG1-CD2 4.2Å; V909-Y945 HydrophobicContact CG1-CE2 3.62Å; V909-Y945 HydrophobicContact CG2-CD1 4.22Å; V909-Y945 HydrophobicContact CG2-CD2 4.27Å; V909-Y945 HydrophobicContact CG2-CE1 4.09Å; V909-Y945 HydrophobicContact CG2-CE2 4.17Å; V909-Y945 HydrophobicContact CG2-CG 4.31Å; L941-Y945 HydrophobicContact CD2-CD2 4.06Å; L941-Y945 HydrophobicContact CD2-CE2 4.26Å; L941-Y945 HydrophobicContact CG-CD2 4.41Å; L941-Y945 HydrophobicContact CG-CE2 4.37Å; L941-Y945 WeakPolarHBondContact O-CD2 3.25Å; L941-Y945 PolarHBondContact O-N 3.06Å; L943-Y945 PolarHBondContact O-N 2.91Å
946C85.9Confident87.7Confident25 Ų2535.3 Ų35.317%0.16919%0.189CC..SBendtrans-71.6134179.8-160.80000110.7D802 V942 L943 T950D802-C946 PolarHBondContact OD2-SG 3.34Å; D802-C946 VanDerWaalsContact OD2-SG 3.35Å; V942-C946 WeakPolarHBondContact O-CB 3.26Å; V942-C946 PolarHBondContact O-N 2.99Å; L943-C946 WeakPolarHBondContact O-CB 3.5Å; L943-C946 PolarHBondContact O-N 2.81Å; L943-C946 VanDerWaalsContact O-N 3.09Å; C946-T950 WeakPolarHBondContact SG-CB 3.38Å; C946-T950 PolarHBondContact SG-OG1 2.94Å
947H85.2Confident88.1Confident59 Ų5931.8 Ų31.827%0.27317%0.171SC..  trans-82.1146.1179.4-175.4-83000109.7F800 N949 T950F800-H947 HydrophobicContact CD2-CB 4.19Å; F800-H947 AromaticContact CD2-CE1 3.78Å; F800-H947 AromaticContact CD2-CG 3.68Å; F800-H947 AromaticContact CD2-ND1 3.33Å; F800-H947 VanDerWaalsContact CD2-ND1 3.33Å; F800-H947 WeakPolarHBondContact CD2-ND1 3.46Å; F800-H947 AromaticContact CE2-CD2 3.93Å; F800-H947 AromaticContact CE2-CE1 3.38Å; F800-H947 WeakPolarHBondContact CE2-CE1 3.43Å; F800-H947 AromaticContact CE2-CG 3.83Å; F800-H947 AromaticContact CE2-ND1 3.44Å; F800-H947 WeakPolarHBondContact CE2-ND1 3.26Å; F800-H947 AromaticContact CE2-NE2 3.67Å; F800-H947 HydrophobicContact CG-CB 4.42Å; H947-N949 PolarHBondContact ND1-N 2.95Å; H947-N949 PolarHBondContact O-N 3.33Å; H947-N949 VanDerWaalsContact O-N 3.1Å; H947-T950 PolarHBondContact N-OG1 2.9Å; H947-T950 VanDerWaalsContact O-CB 3.26Å; H947-T950 WeakPolarHBondContact O-CB 3.34Å; H947-T950 PolarHBondContact O-N 2.82Å; H947-T950 PolarHBondContact O-OG1 3.19Å
948P83.4Confident88.6Confident120 Ų12031.3 Ų31.378%0.77917%0.171SC*.THydrogen-bonded Turntrans-58.5-27.9-179.420-33.7000114.2
949N84.7Confident88.7Confident56 Ų5638.2 Ų38.230%0.29920%0.201SC..THydrogen-bonded Turntrans-94.416.1174.7-58.2-16.1000114.1A798 F800 H947 T951A798-N949 WeakPolarHBondContact O-CB 3.38Å; A798-N949 PolarHBondContact O-ND2 3.35Å; F800-N949 HydrophobicContact CD2-CB 4.31Å; F800-N949 PolarHBondContact N-O 2.94Å; H947-N949 PolarHBondContact ND1-N 2.95Å; H947-N949 PolarHBondContact O-N 3.33Å; H947-N949 VanDerWaalsContact O-N 3.1Å; N949-T951 PolarHBondContact O-N 2.99Å; N949-T951 VanDerWaalsContact O-N 3.16Å; N949-T951 PolarHBondContact O-OG1 2.6Å
950T88.2Confident88.7Confident4 Ų438.1 Ų38.13%0.02520%0.201CC..EExtended strand (participates in β ladder)trans-64.4116.6174.7-67.50000109.2F800 D802 C946 H947 P982F800-T950 WeakPolarHBondContact O-CA 3.39Å; D802-T950 HydrophobicContact CB-CG2 4.08Å; D802-T950 VanDerWaalsContact OD2-CG2 3.3Å; D802-T950 WeakPolarHBondContact OD2-CG2 3.37Å; D802-T950 PolarHBondContact OD2-OG1 3.36Å; C946-T950 WeakPolarHBondContact SG-CB 3.38Å; C946-T950 PolarHBondContact SG-OG1 2.94Å; H947-T950 PolarHBondContact N-OG1 2.9Å; H947-T950 VanDerWaalsContact O-CB 3.26Å; H947-T950 WeakPolarHBondContact O-CB 3.34Å; H947-T950 PolarHBondContact O-N 2.82Å; H947-T950 PolarHBondContact O-OG1 3.19Å; T950-P982 HydrophobicContact CG2-CG 4.08Å
951T87.4Confident88.7Confident5 Ų536.1 Ų36.13%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-93.3-26.3-175.1-63.80000112.6F738 V793 I799 F800 F801 W853 N949F738-T951 HydrophobicContact CE1-CG2 3.97Å; V793-T951 HydrophobicContact CG1-CG2 4.3Å; V793-T951 HydrophobicContact CG2-CG2 3.91Å; I799-T951 HydrophobicContact CG2-CG2 4.43Å; I799-T951 WeakPolarHBondContact CG2-OG1 3.24Å; F800-T951 PolarHBondContact O-N 3.48Å; F801-T951 HydrophobicContact CE1-CG2 4.25Å; W853-T951 HydrophobicContact CH2-CG2 3.71Å; W853-T951 HydrophobicContact CZ2-CG2 4.47Å; W853-T951 HydrophobicContact CZ3-CG2 4.37Å; N949-T951 PolarHBondContact O-N 2.99Å; N949-T951 VanDerWaalsContact O-N 3.16Å; N949-T951 PolarHBondContact O-OG1 2.6Å
952A91.8Very high88.5Confident0 Ų039.9 Ų39.90%022%0.224CC..EExtended strand (participates in β ladder)trans-149.8138.7171.600000110.3F534 F801 D802 F954 P983F534-A952 HydrophobicContact CE2-CB 3.79Å; F534-A952 HydrophobicContact CZ-CB 3.54Å; F801-A952 WeakPolarHBondContact CA-O 3.32Å; F801-A952 HydrophobicContact CD1-CB 3.69Å; F801-A952 HydrophobicContact CE1-CB 3.78Å; D802-A952 PolarHBondContact N-O 3.06Å; A952-F954 HydrophobicContact CB-CE2 4.14Å; A952-P983 CarbonylContact C-O 3.51Å; A952-P983 VanDerWaalsContact CA-O 3.28Å; A952-P983 WeakPolarHBondContact CA-O 3.26Å
953L94.5Very high88.4Confident0 Ų044.5 Ų44.50%025%0.249CC..EExtended strand (participates in β ladder)trans-112.5134.6175.8177.570.3000109.3D802 V942 L955 L981 P982 P983 T984 L985D802-L953 HydrophobicContact CB-CD1 3.44Å; D802-L953 VanDerWaalsContact CB-CD1 3.44Å; D802-L953 CarbonylContact O-C 3.55Å; D802-L953 WeakPolarHBondContact O-CA 3.45Å; V942-L953 HydrophobicContact CG1-CD1 4.41Å; V942-L953 HydrophobicContact CG1-CD2 3.77Å; L953-L955 HydrophobicContact CD1-CD2 4.15Å; L953-L955 HydrophobicContact CD2-CD1 4Å; L953-L955 HydrophobicContact CD2-CD2 4.03Å; L953-L955 HydrophobicContact CD2-CG 3.93Å; L953-L955 HydrophobicContact CG-CD2 4.01Å; L953-L955 HydrophobicContact CG-CG 3.96Å; L953-L981 HydrophobicContact CD2-CB 4.43Å; L953-L981 HydrophobicContact CD2-CD1 3.62Å; L953-L981 HydrophobicContact CD2-CD2 4.45Å; L953-L981 HydrophobicContact CD2-CG 4.39Å; L953-P982 HydrophobicContact CB-CG 4.32Å; L953-P983 PolarHBondContact N-O 3.21Å; L953-T984 HydrophobicContact CB-CG2 4.38Å; L953-T984 HydrophobicContact CD2-CG2 4.14Å; L953-T984 HydrophobicContact CG-CG2 4.31Å; L953-T984 CarbonylContact O-C 3.55Å; L953-T984 VanDerWaalsContact O-CA 3.31Å; L953-T984 WeakPolarHBondContact O-CA 3.22Å; L953-L985 PolarHBondContact O-N 3.43Å
954F95.6Very high88.3Confident0 Ų044.7 Ų44.70%025%0.25CS..EExtended strand (participates in β ladder)trans-113.1114.7179-65.4-95.1000108.7F534 F801 D802 I803 W804 L840 L843 A844 V847 A952 L985F534-F954 HydrophobicContact CZ-CZ 4.21Å; F801-F954 HydrophobicContact CB-CE2 4.14Å; F801-F954 HydrophobicContact CG-CE2 4.27Å; D802-F954 PolarHBondContact O-N 3.12Å; I803-F954 WeakPolarHBondContact CA-O 3.5Å; I803-F954 HydrophobicContact CB-CB 4.46Å; I803-F954 HydrophobicContact CG1-CB 4.39Å; I803-F954 HydrophobicContact CG1-CD2 4.27Å; I803-F954 HydrophobicContact CG2-CB 4.15Å; W804-F954 PolarHBondContact N-O 2.95Å; L840-F954 HydrophobicContact CD2-CB 4.01Å; L843-F954 HydrophobicContact CB-CD1 4.33Å; L843-F954 HydrophobicContact CB-CE1 4.09Å; A844-F954 HydrophobicContact CB-CD1 4.41Å; A844-F954 HydrophobicContact CB-CD2 3.76Å; A844-F954 HydrophobicContact CB-CE1 4.36Å; A844-F954 HydrophobicContact CB-CE2 3.73Å; A844-F954 HydrophobicContact CB-CG 4.12Å; A844-F954 HydrophobicContact CB-CZ 4.04Å; V847-F954 HydrophobicContact CG2-CZ 3.99Å; A952-F954 HydrophobicContact CB-CE2 4.14Å; F954-L985 WeakPolarHBondContact CA-O 3.19Å; F954-L985 HydrophobicContact CD1-CB 4.16Å; F954-L985 HydrophobicContact CD1-CD1 4.16Å; F954-L985 HydrophobicContact CE1-CB 4.45Å; F954-L985 HydrophobicContact CE1-CD1 3.63Å; F954-L985 HydrophobicContact CZ-CD1 4.32Å
955L94.8Very high88.3Confident4 Ų444.7 Ų44.72%0.02125%0.25CC..EExtended strand (participates in β ladder)trans-118151.3-177.2-67.9-174.3000111.3W804 L840 V942 L953 L957 T978 L981 T984 L985 L986 A987W804-L955 HydrophobicContact CB-CD2 3.67Å; W804-L955 VanDerWaalsContact CD1-CD2 3.47Å; W804-L955 HydrophobicContact CG-CD2 3.67Å; L840-L955 WeakPolarHBondContact CD2-O 3.42Å; V942-L955 HydrophobicContact CG1-CD2 4.42Å; L953-L955 HydrophobicContact CD1-CD2 4.15Å; L953-L955 HydrophobicContact CD2-CD1 4Å; L953-L955 HydrophobicContact CD2-CD2 4.03Å; L953-L955 HydrophobicContact CD2-CG 3.93Å; L953-L955 HydrophobicContact CG-CD2 4.01Å; L953-L955 HydrophobicContact CG-CG 3.96Å; L955-L957 PolarHBondContact O-N 2.76Å; L955-T978 HydrophobicContact CD1-CG2 4.07Å; L955-L981 HydrophobicContact CD1-CD1 3.84Å; L955-T984 HydrophobicContact CB-CG2 4.37Å; L955-T984 HydrophobicContact CD1-CG2 3.74Å; L955-T984 HydrophobicContact CG-CG2 3.9Å; L955-L985 PolarHBondContact N-O 3.37Å; L955-L986 HydrophobicContact CB-CD2 3.51Å; L955-L986 HydrophobicContact CB-CG 4.44Å; L955-L986 HydrophobicContact CD1-CD2 4.16Å; L955-L986 HydrophobicContact CG-CD2 4.46Å; L955-L986 CarbonylContact O-C 3.56Å; L955-L986 VanDerWaalsContact O-CA 3.3Å; L955-L986 WeakPolarHBondContact O-CA 3.24Å; L955-A987 PolarHBondContact O-N 3.43Å
956Y93.8Very high88.3Confident22 Ų2243.9 Ų43.99%0.08625%0.251CS..EExtended strand (participates in β ladder)trans-66.6125.5172.5-164.4-71.1000111.5W804 I806 N807 D834 T836 L840 P958W804-Y956 PolarHBondContact O-N 3.45Å; I806-Y956 WeakPolarHBondContact O-CB 3.47Å; N807-Y956 HydrophobicContact CB-CD1 3.72Å; N807-Y956 HydrophobicContact CB-CD2 4.19Å; N807-Y956 HydrophobicContact CB-CE1 3.78Å; N807-Y956 HydrophobicContact CB-CE2 4.17Å; N807-Y956 HydrophobicContact CB-CG 3.97Å; D834-Y956 WeakPolarHBondContact OD1-CE2 3.41Å; D834-Y956 WeakPolarHBondContact OD2-CE2 3.45Å; D834-Y956 PolarHBondContact OD2-OH 2.83Å; T836-Y956 HydrophobicContact CG2-CD1 4.32Å; T836-Y956 HydrophobicContact CG2-CD2 3.54Å; T836-Y956 HydrophobicContact CG2-CE1 4.08Å; T836-Y956 HydrophobicContact CG2-CE2 3.32Å; T836-Y956 HydrophobicContact CG2-CG 4.03Å; L840-Y956 HydrophobicContact CD1-CD2 4.41Å; Y956-P958 WeakPolarHBondContact O-CD 3.37Å
957L93.3Very high88.4Confident1 Ų142.8 Ų42.81%0.00524%0.243CC..  trans-90.2110.4171.7-178.464.9000110V727 L729 L955 L974 L986 A987 H988V727-L957 HydrophobicContact CB-CD2 4.2Å; V727-L957 HydrophobicContact CG1-CD2 3.75Å; L729-L957 HydrophobicContact CD1-CD1 3.59Å; L729-L957 HydrophobicContact CD1-CD2 4.13Å; L729-L957 HydrophobicContact CG-CD1 4.15Å; L729-L957 HydrophobicContact CG-CD2 3.9Å; L955-L957 PolarHBondContact O-N 2.76Å; L957-L974 HydrophobicContact CD1-CD1 4Å; L957-L974 HydrophobicContact CD1-CD2 4.31Å; L957-L986 HydrophobicContact CB-CB 4.04Å; L957-L986 HydrophobicContact CD1-CB 3.95Å; L957-L986 HydrophobicContact CD1-CD1 4.44Å; L957-L986 HydrophobicContact CG-CB 4.49Å; L957-A987 VanDerWaalsContact CB-C 3.43Å; L957-A987 WeakPolarHBondContact CB-O 3.24Å; L957-A987 PolarHBondContact N-O 3.5Å; L957-H988 HydrophobicContact CB-CB 4.11Å; L957-H988 HydrophobicContact CD2-CB 4.14Å; L957-H988 HydrophobicContact CG-CB 4.41Å; L957-H988 PolarHBondContact O-ND1 3.41Å
958P89.4Confident88.6Confident14 Ų1444 Ų449%0.09125%0.252CS..PPolyproline II helixtrans-64.3143.5174.130.1-39.6000110.9L809 Y956 Y970 L974L809-P958 HydrophobicContact CD1-CB 4.06Å; L809-P958 HydrophobicContact CD1-CG 3.61Å; Y956-P958 WeakPolarHBondContact O-CD 3.37Å; P958-Y970 HydrophobicContact CG-CE2 4.07Å; P958-Y970 PolarHBondContact O-OH 3Å; P958-L974 HydrophobicContact CG-CD2 4.02Å
959K88.7Confident88.8Confident146 Ų14642 Ų4264%0.63523%0.234SC*.PPolyproline II helixtrans-64.6132.7174.8-175176.5179.7177.50109.7L721L721-K959 HydrophobicContact CD1-CG 4.12Å
960P88.3Confident89Confident12 Ų1240.1 Ų40.18%0.07822%0.223CC..PPolyproline II helixtrans-65.4152.1175.827.2-34.6000111.7V714 I717 L721 Y970V714-P960 HydrophobicContact CG1-CB 3.81Å; V714-P960 HydrophobicContact CG1-CG 4.48Å; I717-P960 HydrophobicContact CG2-CG 4.04Å; L721-P960 HydrophobicContact CD1-CG 4.47Å; P960-Y970 HydrophobicContact CB-CD1 4.43Å; P960-Y970 HydrophobicContact CB-CD2 4.41Å; P960-Y970 HydrophobicContact CB-CE1 4.14Å; P960-Y970 HydrophobicContact CB-CE2 4.12Å
961S84.7Confident89.1Confident49 Ų4940.4 Ų40.434%0.34322%0.224SC..PPolyproline II helixtrans-63.3157174.752.30000112.3D963S961-D963 PolarHBondContact O-N 3.17Å; S961-D963 PolarHBondContact OG-O 3.12Å
962S82.1Confident89.2Confident87 Ų8743.6 Ų43.661%0.60824%0.241SC*.SBendtrans-65.8-28.2174.4-62.70000112.8R718R718-S962 PolarHBondContact NH1-O 3.35Å
963D85.6Confident89.1Confident99 Ų9945.9 Ų45.953%0.52925%0.252SS..  trans-85.8114.9-178.1-59.4-31000110.8S961 S965 L966S961-D963 PolarHBondContact O-N 3.17Å; S961-D963 PolarHBondContact OG-O 3.12Å; D963-S965 VanDerWaalsContact C-N 3.27Å; D963-S965 PolarHBondContact O-N 3.48Å; D963-L966 HydrophobicContact CB-CD1 4.12Å; D963-L966 HydrophobicContact CB-CG 4.23Å; D963-L966 PolarHBondContact O-N 3.41Å
964L85Confident88.9Confident61 Ų6146 Ų4632%0.31925%0.252SS..G310 helixtrans-73.9-18.9-177.3-162.465000112.9Q711 V714 L966 A967Q711-L964 HydrophobicContact CB-CD1 4.49Å; Q711-L964 HydrophobicContact CB-CD2 3.97Å; Q711-L964 HydrophobicContact CB-CG 3.96Å; Q711-L964 HydrophobicContact CG-CG 4.21Å; Q711-L964 WeakPolarHBondContact O-CD1 3.37Å; V714-L964 HydrophobicContact CB-CD1 4.29Å; V714-L964 HydrophobicContact CG1-CD1 4.23Å; L964-L966 PolarHBondContact O-N 2.85Å; L964-A967 HydrophobicContact CD1-CB 4.33Å; L964-A967 WeakPolarHBondContact O-CB 3.47Å; L964-A967 PolarHBondContact O-N 3.42Å; L964-A967 VanDerWaalsContact O-N 3.08Å
965S85.2Confident88.6Confident88 Ų8848.7 Ų48.762%0.61527%0.267SS*.G310 helixtrans-61.3-25.4171.853.50000112.4D963 A967D963-S965 VanDerWaalsContact C-N 3.27Å; D963-S965 PolarHBondContact O-N 3.48Å; S965-A967 VanDerWaalsContact C-N 3.29Å; S965-A967 PolarHBondContact O-N 2.91Å
966L86.9Confident88.3Confident70 Ų7050 Ų5037%0.36627%0.273SS..G310 helixtrans-86.75.9177.2-56.8176.7000113D963 L964 D968 I969 Y970D963-L966 HydrophobicContact CB-CD1 4.12Å; D963-L966 HydrophobicContact CB-CG 4.23Å; D963-L966 PolarHBondContact O-N 3.41Å; L964-L966 PolarHBondContact O-N 2.85Å; L966-D968 VanDerWaalsContact C-N 3.34Å; L966-D968 PolarHBondContact O-N 2.96Å; L966-I969 HydrophobicContact CD2-CD1 3.85Å; L966-I969 PolarHBondContact O-N 2.94Å; L966-Y970 PolarHBondContact O-N 3.41Å
967A88.1Confident88.1Confident1 Ų149.3 Ų49.31%0.00827%0.271CS..Hα-helixtrans-58.7-42.5-17800000112.8Q711 V714 L964 S965 I969 Y970 L971Q711-A967 HydrophobicContact CG-CB 4.16Å; V714-A967 HydrophobicContact CB-CB 3.9Å; V714-A967 HydrophobicContact CG1-CB 4.31Å; V714-A967 HydrophobicContact CG2-CB 3.76Å; L964-A967 HydrophobicContact CD1-CB 4.33Å; L964-A967 WeakPolarHBondContact O-CB 3.47Å; L964-A967 PolarHBondContact O-N 3.42Å; L964-A967 VanDerWaalsContact O-N 3.08Å; S965-A967 VanDerWaalsContact C-N 3.29Å; S965-A967 PolarHBondContact O-N 2.91Å; A967-I969 VanDerWaalsContact C-N 3.33Å; A967-I969 PolarHBondContact O-N 3.32Å; A967-Y970 PolarHBondContact O-N 3.47Å; A967-L971 WeakPolarHBondContact O-CG 3.24Å; A967-L971 PolarHBondContact O-N 3.27Å
968D88.5Confident87.9Confident84 Ų8449.2 Ų49.245%0.44927%0.271SS..Hα-helixtrans-63.8-40.5178.1-66.8-50.5000111.7S710 L966 N972S710-D968 WeakPolarHBondContact CB-OD1 3.45Å; S710-D968 PolarHBondContact OG-OD1 2.87Å; L966-D968 VanDerWaalsContact C-N 3.34Å; L966-D968 PolarHBondContact O-N 2.96Å; D968-N972 WeakPolarHBondContact O-CB 3.33Å; D968-N972 PolarHBondContact O-N 2.8Å
969I87.7Confident87.7Confident78 Ų7852 Ų5240%0.429%0.285SS..Hα-helixtrans-65.4-47.5177.1-63.1170.2000109.6L966 A967 L971 N972 Q973L966-I969 HydrophobicContact CD2-CD1 3.85Å; L966-I969 PolarHBondContact O-N 2.94Å; A967-I969 VanDerWaalsContact C-N 3.33Å; A967-I969 PolarHBondContact O-N 3.32Å; I969-L971 PolarHBondContact O-N 3.36Å; I969-N972 PolarHBondContact O-N 3.44Å; I969-Q973 HydrophobicContact CG2-CG 4.32Å; I969-Q973 WeakPolarHBondContact O-CB 3.42Å; I969-Q973 VanDerWaalsContact O-CG 3.25Å; I969-Q973 WeakPolarHBondContact O-CG 3.45Å; I969-Q973 PolarHBondContact O-N 3.1Å
970Y89.9Confident87.6Confident17 Ų1748.8 Ų48.87%0.06728%0.277CS..Hα-helixtrans-57.4-47.2177.4174.5-99.7000112.2V714 P958 P960 L966 A967 Q973 L974V714-Y970 HydrophobicContact CG1-CD1 4.49Å; V714-Y970 HydrophobicContact CG2-CD1 3.91Å; V714-Y970 HydrophobicContact CG2-CE1 4.46Å; P958-Y970 HydrophobicContact CG-CE2 4.07Å; P958-Y970 PolarHBondContact O-OH 3Å; P960-Y970 HydrophobicContact CB-CD1 4.43Å; P960-Y970 HydrophobicContact CB-CD2 4.41Å; P960-Y970 HydrophobicContact CB-CE1 4.14Å; P960-Y970 HydrophobicContact CB-CE2 4.12Å; L966-Y970 PolarHBondContact O-N 3.41Å; A967-Y970 PolarHBondContact O-N 3.47Å; Y970-Q973 PolarHBondContact O-N 3.24Å; Y970-L974 HydrophobicContact CD1-CD1 4.13Å; Y970-L974 HydrophobicContact CE1-CD1 3.49Å; Y970-L974 VanDerWaalsContact CE1-CD1 3.49Å; Y970-L974 HydrophobicContact CE1-CG 4.37Å; Y970-L974 HydrophobicContact CE2-CD1 4.36Å; Y970-L974 WeakPolarHBondContact O-CG 3.4Å; Y970-L974 PolarHBondContact O-N 3.31Å
971L90.3Very high87.6Confident11 Ų1148.2 Ų48.26%0.05827%0.274CS..Hα-helixtrans-67.3-38.8177.5-68.4179.6000112Y618 Y713 V714 A967 I969 L974 N975Y618-L971 HydrophobicContact CD1-CD1 3.72Å; Y618-L971 HydrophobicContact CE1-CD1 4.24Å; Y618-L971 HydrophobicContact CG-CD1 4.05Å; Y713-L971 HydrophobicContact CD1-CD1 4.3Å; Y713-L971 HydrophobicContact CD1-CD2 3.86Å; Y713-L971 HydrophobicContact CE1-CD2 3.99Å; V714-L971 HydrophobicContact CG2-CD1 3.98Å; V714-L971 HydrophobicContact CG2-CD2 3.95Å; V714-L971 HydrophobicContact CG2-CG 3.75Å; A967-L971 WeakPolarHBondContact O-CG 3.24Å; A967-L971 PolarHBondContact O-N 3.27Å; I969-L971 PolarHBondContact O-N 3.36Å; L971-L974 PolarHBondContact O-N 2.85Å; L971-N975 VanDerWaalsContact O-CB 3.22Å; L971-N975 WeakPolarHBondContact O-CB 3.48Å; L971-N975 PolarHBondContact O-N 2.97Å
972N89.4Confident87.8Confident71 Ų7147.2 Ų47.238%0.3827%0.266SS..Hα-helixtrans-63.2-42175.3-172.838.9000111.6D968 I969 N975 I976D968-N972 WeakPolarHBondContact O-CB 3.33Å; D968-N972 PolarHBondContact O-N 2.8Å; I969-N972 PolarHBondContact O-N 3.44Å; N972-N975 WeakPolarHBondContact O-CB 3.41Å; N972-N975 PolarHBondContact O-N 3.34Å; N972-N975 VanDerWaalsContact O-N 3.16Å; N972-I976 VanDerWaalsContact O-CG1 3.27Å; N972-I976 WeakPolarHBondContact O-CG1 3.46Å; N972-I976 PolarHBondContact O-N 2.93Å
973Q88.4Confident88.3Confident48 Ų4843 Ų4322%0.22424%0.237CC..Hα-helixtrans-60-46.8174.1-74.1-175.7-7.900111.8I935 I969 Y970 N975 I976 L977I935-Q973 HydrophobicContact CD1-CB 3.57Å; I935-Q973 HydrophobicContact CD1-CG 3.37Å; I935-Q973 WeakPolarHBondContact CG2-O 3.37Å; I969-Q973 HydrophobicContact CG2-CG 4.32Å; I969-Q973 WeakPolarHBondContact O-CB 3.42Å; I969-Q973 VanDerWaalsContact O-CG 3.25Å; I969-Q973 WeakPolarHBondContact O-CG 3.45Å; I969-Q973 PolarHBondContact O-N 3.1Å; Y970-Q973 PolarHBondContact O-N 3.24Å; Q973-N975 VanDerWaalsContact C-N 3.29Å; Q973-N975 PolarHBondContact O-N 3.08Å; Q973-I976 PolarHBondContact O-N 3.11Å; Q973-L977 WeakPolarHBondContact O-CB 3.45Å; Q973-L977 PolarHBondContact O-N 2.88Å
974L90.7Very high88.7Confident3 Ų338.4 Ų38.42%0.01621%0.212CC..Hα-helixtrans-63.7-36174.2-68.7-178.1000112.2F617 L729 L957 P958 Y970 L971 L977 T978 L986F617-L974 HydrophobicContact CE2-CB 4.01Å; F617-L974 HydrophobicContact CZ-CB 4.06Å; L729-L974 HydrophobicContact CD1-CD1 4.18Å; L957-L974 HydrophobicContact CD1-CD1 4Å; L957-L974 HydrophobicContact CD1-CD2 4.31Å; P958-L974 HydrophobicContact CG-CD2 4.02Å; Y970-L974 HydrophobicContact CD1-CD1 4.13Å; Y970-L974 HydrophobicContact CE1-CD1 3.49Å; Y970-L974 VanDerWaalsContact CE1-CD1 3.49Å; Y970-L974 HydrophobicContact CE1-CG 4.37Å; Y970-L974 HydrophobicContact CE2-CD1 4.36Å; Y970-L974 WeakPolarHBondContact O-CG 3.4Å; Y970-L974 PolarHBondContact O-N 3.31Å; L971-L974 PolarHBondContact O-N 2.85Å; L974-L977 PolarHBondContact O-N 2.83Å; L974-T978 PolarHBondContact O-N 2.95Å; L974-T978 PolarHBondContact O-OG1 2.9Å; L974-L986 HydrophobicContact CD2-CD1 4.36Å
975N90.6Very high89.3Confident56 Ų5635.5 Ų35.530%0.29920%0.197SC..Hα-helixtrans-65.1-46.7178.6-170.932.5000110.7F617 R731 L971 N972 Q973 T978 D979F617-N975 HydrophobicContact CE1-CB 4.31Å; F617-N975 HydrophobicContact CZ-CB 4.25Å; R731-N975 PolarHBondContact NH1-O 2.62Å; R731-N975 PolarHBondContact NH1-OD1 3.28Å; R731-N975 PolarHBondContact NH2-OD1 2.86Å; L971-N975 VanDerWaalsContact O-CB 3.22Å; L971-N975 WeakPolarHBondContact O-CB 3.48Å; L971-N975 PolarHBondContact O-N 2.97Å; N972-N975 WeakPolarHBondContact O-CB 3.41Å; N972-N975 PolarHBondContact O-N 3.34Å; N972-N975 VanDerWaalsContact O-N 3.16Å; Q973-N975 VanDerWaalsContact C-N 3.29Å; Q973-N975 PolarHBondContact O-N 3.08Å; N975-T978 PolarHBondContact O-N 3.06Å; N975-D979 WeakPolarHBondContact O-CB 3.43Å; N975-D979 PolarHBondContact O-N 3.29Å
976I88.3Confident89.8Confident32 Ų3231.4 Ų31.416%0.16417%0.168CC..Hα-helixtrans-61.9-45.3174-65.4166.2000110.4N932 I935 I936 N972 Q973 T978 D979N932-I976 HydrophobicContact CB-CD1 4.12Å; I935-I976 HydrophobicContact CB-CG2 4.14Å; I935-I976 HydrophobicContact CG2-CB 4.01Å; I935-I976 HydrophobicContact CG2-CG2 3.73Å; I936-I976 HydrophobicContact CB-CG2 4.35Å; I936-I976 HydrophobicContact CG1-CG2 3.42Å; I936-I976 VanDerWaalsContact CG1-CG2 3.42Å; N972-I976 VanDerWaalsContact O-CG1 3.27Å; N972-I976 WeakPolarHBondContact O-CG1 3.46Å; N972-I976 PolarHBondContact O-N 2.93Å; Q973-I976 PolarHBondContact O-N 3.11Å; I976-T978 VanDerWaalsContact C-N 3.27Å; I976-T978 PolarHBondContact O-N 3.36Å; I976-D979 PolarHBondContact O-N 3.27Å
977L88.5Confident90.2Very high7 Ų728.1 Ų28.14%0.03715%0.151CC..Hα-helixtrans-60.8-37.4-178.4-178.861.6000112.5I935 L938 N939 Q973 L974 L981I935-L977 HydrophobicContact CG2-CB 3.71Å; I935-L977 HydrophobicContact CG2-CD1 4.31Å; L938-L977 HydrophobicContact CB-CD1 4.01Å; N939-L977 PolarHBondContact ND2-O 3.25Å; Q973-L977 WeakPolarHBondContact O-CB 3.45Å; Q973-L977 PolarHBondContact O-N 2.88Å; L974-L977 PolarHBondContact O-N 2.83Å; L977-L981 WeakPolarHBondContact O-CD1 3.24Å
978T89.7Confident90.5Very high0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-104.36.2-174.353.70000114.1R731 L955 L974 N975 I976 L981 T984 L986R731-T978 WeakPolarHBondContact CD-OG1 2.96Å; R731-T978 PolarHBondContact NH1-O 2.92Å; R731-T978 PolarHBondContact NH1-OG1 3.12Å; L955-T978 HydrophobicContact CD1-CG2 4.07Å; L974-T978 PolarHBondContact O-N 2.95Å; L974-T978 PolarHBondContact O-OG1 2.9Å; N975-T978 PolarHBondContact O-N 3.06Å; I976-T978 VanDerWaalsContact C-N 3.27Å; I976-T978 PolarHBondContact O-N 3.36Å; T978-L981 HydrophobicContact CG2-CD1 4.18Å; T978-L981 PolarHBondContact O-N 2.85Å; T978-T984 HydrophobicContact CG2-CG2 4.16Å; T978-L986 HydrophobicContact CG2-CD1 3.91Å; T978-L986 HydrophobicContact CG2-CD2 4.16Å; T978-L986 HydrophobicContact CG2-CG 4.22Å
979D85.9Confident90.6Very high72 Ų7225 Ų2539%0.38513%0.134SC..THydrogen-bonded Turntrans-66.2143.2179.4-16226000110.8R731 N939 N975 I976 L981R731-D979 IonicContact NH2-OD1 3.37Å; N939-D979 PolarHBondContact ND2-O 3.37Å; N975-D979 WeakPolarHBondContact O-CB 3.43Å; N975-D979 PolarHBondContact O-N 3.29Å; I976-D979 PolarHBondContact O-N 3.27Å; D979-L981 PolarHBondContact O-N 3.31Å
980T85Confident90.6Very high78 Ų7823.8 Ų23.848%0.47913%0.128SC..THydrogen-bonded Turntrans58.1-4.8-176.5710000117.9L943L943-T980 WeakPolarHBondContact CD1-OG1 3.45Å
981L89.9Confident90.3Very high0 Ų026.8 Ų26.80%014%0.142CC..  trans-63.4157177.6-63.4-170.6000113N732 R735 V942 L943 L953 L955 L977 T978 D979N732-L981 PolarHBondContact ND2-O 3.37Å; R735-L981 PolarHBondContact NH1-O 2.67Å; V942-L981 HydrophobicContact CG1-CD1 4.33Å; V942-L981 HydrophobicContact CG1-CD2 4.09Å; L943-L981 HydrophobicContact CD1-CD2 4.27Å; L943-L981 HydrophobicContact CD2-CD2 3.44Å; L943-L981 VanDerWaalsContact CD2-CD2 3.44Å; L943-L981 HydrophobicContact CG-CD2 3.47Å; L943-L981 VanDerWaalsContact CG-CD2 3.47Å; L953-L981 HydrophobicContact CD2-CB 4.43Å; L953-L981 HydrophobicContact CD2-CD1 3.62Å; L953-L981 HydrophobicContact CD2-CD2 4.45Å; L953-L981 HydrophobicContact CD2-CG 4.39Å; L955-L981 HydrophobicContact CD1-CD1 3.84Å; L977-L981 WeakPolarHBondContact O-CD1 3.24Å; T978-L981 HydrophobicContact CG2-CD1 4.18Å; T978-L981 PolarHBondContact O-N 2.85Å; D979-L981 PolarHBondContact O-N 3.31Å
982P89.1Confident89.8Confident28 Ų2831.4 Ų31.418%0.18216%0.164CC..SBendtrans-61.5177.7166.428.3-36.2000111.6T950 L953 T984T950-P982 HydrophobicContact CG2-CG 4.08Å; L953-P982 HydrophobicContact CB-CG 4.32Å; P982-T984 PolarHBondContact O-N 2.7Å; P982-T984 PolarHBondContact O-OG1 3.43Å
983P92Very high89.3Confident0 Ų028.3 Ų28.30%015%0.148CC..SBendtrans-48.6118.5176.2-26.933.9000111.3F733 V736 Y791 A952 L953F733-P983 HydrophobicContact CD1-CB 4Å; F733-P983 HydrophobicContact CD2-CB 4.34Å; F733-P983 HydrophobicContact CE1-CB 3.9Å; F733-P983 HydrophobicContact CE2-CB 4.24Å; F733-P983 HydrophobicContact CG-CB 4.22Å; F733-P983 HydrophobicContact CZ-CB 4.03Å; V736-P983 HydrophobicContact CB-CG 4.02Å; V736-P983 HydrophobicContact CG1-CB 4.43Å; V736-P983 HydrophobicContact CG1-CG 3.74Å; Y791-P983 WeakPolarHBondContact OH-CD 3.39Å; A952-P983 CarbonylContact C-O 3.51Å; A952-P983 VanDerWaalsContact CA-O 3.28Å; A952-P983 WeakPolarHBondContact CA-O 3.26Å; L953-P983 PolarHBondContact N-O 3.21Å
984T94.4Very high88.6Confident1 Ų127.2 Ų27.21%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-123.8132.9-167.7-60.80000110.7R731 L953 L955 T978 P982R731-T984 PolarHBondContact N-O 2.84Å; R731-T984 PolarHBondContact O-N 2.7Å; L953-T984 HydrophobicContact CB-CG2 4.38Å; L953-T984 HydrophobicContact CD2-CG2 4.14Å; L953-T984 HydrophobicContact CG-CG2 4.31Å; L953-T984 CarbonylContact O-C 3.55Å; L953-T984 VanDerWaalsContact O-CA 3.31Å; L953-T984 WeakPolarHBondContact O-CA 3.22Å; L955-T984 HydrophobicContact CB-CG2 4.37Å; L955-T984 HydrophobicContact CD1-CG2 3.74Å; L955-T984 HydrophobicContact CG-CG2 3.9Å; T978-T984 HydrophobicContact CG2-CG2 4.16Å; P982-T984 PolarHBondContact O-N 2.7Å; P982-T984 PolarHBondContact O-OG1 3.43Å
985L95.9Very high87.4Confident1 Ų129.1 Ų29.11%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-108.8116.6169.1-67.3-176.1000109.8F534 L538 V728 L729 A730 F733 L953 F954 L955F534-L985 HydrophobicContact CD1-CD1 4.35Å; F534-L985 HydrophobicContact CE1-CD1 3.63Å; F534-L985 HydrophobicContact CE1-CG 4.39Å; L538-L985 HydrophobicContact CD2-CD1 4.19Å; V728-L985 HydrophobicContact CG1-CB 4.19Å; V728-L985 HydrophobicContact CG1-CD1 4.45Å; V728-L985 HydrophobicContact CG1-CD2 3.86Å; V728-L985 HydrophobicContact CG1-CG 4.4Å; L729-L985 CarbonylContact O-C 3.6Å; L729-L985 WeakPolarHBondContact O-CA 3.49Å; A730-L985 HydrophobicContact CB-CD2 3.6Å; F733-L985 HydrophobicContact CE2-CD2 3.56Å; F733-L985 HydrophobicContact CE2-CG 4.09Å; F733-L985 HydrophobicContact CZ-CD2 3.75Å; F733-L985 HydrophobicContact CZ-CG 3.92Å; L953-L985 PolarHBondContact O-N 3.43Å; F954-L985 WeakPolarHBondContact CA-O 3.19Å; F954-L985 HydrophobicContact CD1-CB 4.16Å; F954-L985 HydrophobicContact CD1-CD1 4.16Å; F954-L985 HydrophobicContact CE1-CB 4.45Å; F954-L985 HydrophobicContact CE1-CD1 3.63Å; F954-L985 HydrophobicContact CZ-CD1 4.32Å; L955-L985 PolarHBondContact N-O 3.37Å
986L96Very high85.9Confident2 Ų229.2 Ų29.21%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-91.8120.1168.9-67.1159.3000108F617 V728 L729 L955 L957 L974 T978F617-L986 HydrophobicContact CD2-CD1 4.36Å; F617-L986 HydrophobicContact CE2-CD1 4.09Å; V728-L986 CarbonylContact C-O 3.43Å; V728-L986 VanDerWaalsContact CA-O 3.26Å; V728-L986 WeakPolarHBondContact CA-O 3.45Å; L729-L986 HydrophobicContact CB-CB 4.18Å; L729-L986 HydrophobicContact CB-CD1 4.45Å; L729-L986 HydrophobicContact CD1-CD1 4.49Å; L729-L986 PolarHBondContact N-O 3.41Å; L729-L986 PolarHBondContact O-N 3.11Å; L955-L986 HydrophobicContact CB-CD2 3.51Å; L955-L986 HydrophobicContact CB-CG 4.44Å; L955-L986 HydrophobicContact CD1-CD2 4.16Å; L955-L986 HydrophobicContact CG-CD2 4.46Å; L955-L986 CarbonylContact O-C 3.56Å; L955-L986 VanDerWaalsContact O-CA 3.3Å; L955-L986 WeakPolarHBondContact O-CA 3.24Å; L957-L986 HydrophobicContact CB-CB 4.04Å; L957-L986 HydrophobicContact CD1-CB 3.95Å; L957-L986 HydrophobicContact CD1-CD1 4.44Å; L957-L986 HydrophobicContact CG-CB 4.49Å; L974-L986 HydrophobicContact CD2-CD1 4.36Å; T978-L986 HydrophobicContact CG2-CD1 3.91Å; T978-L986 HydrophobicContact CG2-CD2 4.16Å; T978-L986 HydrophobicContact CG2-CG 4.22Å
987A95.4Very high84.2Confident0 Ų036.9 Ų36.90%020%0.201CC..EExtended strand (participates in β ladder)trans-126146.4-178.900000113.4V727 V728 T836 F839 L840 L843 L955 L957V727-A987 CarbonylContact O-C 3.52Å; V727-A987 VanDerWaalsContact O-CA 3.3Å; V727-A987 WeakPolarHBondContact O-CA 3.41Å; V728-A987 HydrophobicContact CG2-CB 3.91Å; T836-A987 WeakPolarHBondContact CG2-O 3.26Å; F839-A987 HydrophobicContact CD1-CB 4.06Å; F839-A987 HydrophobicContact CE1-CB 3.91Å; L840-A987 HydrophobicContact CD2-CB 3.55Å; L840-A987 HydrophobicContact CG-CB 4.24Å; L843-A987 HydrophobicContact CD1-CB 3.94Å; L955-A987 PolarHBondContact O-N 3.43Å; L957-A987 VanDerWaalsContact CB-C 3.43Å; L957-A987 WeakPolarHBondContact CB-O 3.24Å; L957-A987 PolarHBondContact N-O 3.5Å
988H94.9Very high82Confident19 Ų1943.7 Ų43.79%0.08824%0.237CC..EExtended strand (participates in β ladder)trans-124121.1171.4-163.387.2000109.2L721 N726 V727 L957L721-H988 HydrophobicContact CD2-CB 4.32Å; N726-H988 WeakPolarHBondContact CA-O 3.19Å; V727-H988 PolarHBondContact N-O 3.46Å; V727-H988 PolarHBondContact O-N 3.13Å; L957-H988 HydrophobicContact CB-CB 4.11Å; L957-H988 HydrophobicContact CD2-CB 4.14Å; L957-H988 HydrophobicContact CG-CB 4.41Å; L957-H988 PolarHBondContact O-ND1 3.41Å
989G91.4Very high81.6Confident2 Ų245.9 Ų45.92%0.02125%0.249CC..  trans-113.7123.6-174.800000111.9N726 T836N726-G989 WeakPolarHBondContact OD1-CA 3.35Å; T836-G989 PolarHBondContact N-O 3.24Å; T836-G989 PolarHBondContact OG1-N 2.81Å; T836-G989 PolarHBondContact OG1-O 3.43Å
990L87.1Confident81.4Confident51 Ų5144.5 Ų44.527%0.26724%0.242SC..  trans-99.7-26.8-177.7-65174.1000113.1L721 N726 R835L721-L990 HydrophobicContact CD2-CD1 3.99Å; L721-L990 HydrophobicContact CD2-CG 4.36Å; N726-L990 PolarHBondContact OD1-N 3.04Å; R835-L990 VanDerWaalsContact CD-O 3.3Å; R835-L990 WeakPolarHBondContact CD-O 3.09Å; R835-L990 PolarHBondContact NH1-O 3.23Å
991H83.6Confident81.1Confident80 Ų8042.6 Ų42.637%0.3723%0.229SC..SBendtrans-102.1153-173.1-70.172.4000112.5E724 V993E724-H991 PolarHBondContact O-CE1 3.38Å; H991-V993 PolarHBondContact O-N 3.2Å
992E80.4Confident80.6Confident109 Ų10945.1 Ų45.151%0.50924%0.242SC..  trans-72.5115.6169.8-69.5175.5-164.900110.1V511 R835V511-E992 HydrophobicContact CG2-CB 3.94Å; R835-E992 IonicContact CZ-OE1 3.7Å; R835-E992 IonicContact NE-OE1 2.75Å; R835-E992 IonicContact NH2-OE1 3.83Å; R835-E992 PolarHBondContact NH2-OE1 3.38Å
993V79.1Confident80.1Confident6 Ų646.2 Ų46.24%0.03625%0.246CC..  trans-106-9.2-177.2-61.50000113.6W514 F839 Q842 H991W514-V993 HydrophobicContact CD2-CB 3.96Å; W514-V993 HydrophobicContact CD2-CG1 3.81Å; W514-V993 VanDerWaalsContact CE2-CG1 3.41Å; W514-V993 HydrophobicContact CE3-CB 3.98Å; W514-V993 HydrophobicContact CE3-CG1 4.22Å; W514-V993 HydrophobicContact CG-CG1 4.38Å; W514-V993 HydrophobicContact CH2-CB 4.26Å; W514-V993 HydrophobicContact CH2-CG1 3.96Å; W514-V993 HydrophobicContact CZ2-CB 4.26Å; W514-V993 HydrophobicContact CZ2-CG1 3.52Å; W514-V993 HydrophobicContact CZ3-CB 4.11Å; W514-V993 HydrophobicContact CZ3-CG1 4.28Å; F839-V993 HydrophobicContact CB-CG2 4.32Å; F839-V993 HydrophobicContact CD2-CG1 3.87Å; F839-V993 HydrophobicContact CD2-CG2 4.28Å; F839-V993 HydrophobicContact CE2-CG1 4.48Å; Q842-V993 HydrophobicContact CB-CG2 3.88Å; Q842-V993 HydrophobicContact CG-CB 4.41Å; Q842-V993 HydrophobicContact CG-CG2 4.06Å; H991-V993 PolarHBondContact O-N 3.2Å
994T72.6Confident79.3Confident24 Ų2449.3 Ų49.315%0.14726%0.262CS..  trans-147.1139.5-178.953.30000110.3Q842 L900Q842-T994 HydrophobicContact CB-CG2 4.19Å; Q842-T994 HydrophobicContact CG-CG2 4.05Å; L900-T994 HydrophobicContact CD2-CG2 4.46Å
995S67Low78.2Confident43 Ų4352.7 Ų52.730%0.30128%0.28SS..  trans-116.4135.7171.960.60000109.9L998S995-L998 WeakPolarHBondContact OG-CD1 2.95Å
996A58.5Low76.9Confident59 Ų5956.7 Ų56.749%0.48830%0.302SS..SBendtrans-87.7-9.2173.200000113.3L998A996-L998 PolarHBondContact O-N 3.28Å; A996-L998 VanDerWaalsContact O-N 3.11Å
997E52.2Low75.3Confident192 Ų19261.3 Ų61.390%0.89733%0.326SS*.  trans-79.523.3-176.8-62.5-175.6162.700114.4
998L41.7Very low73.5Confident150 Ų15066.8 Ų66.879%0.78536%0.355SS*.  trans-125.30178.3-74.3164.8000110.1S995 A996S995-L998 WeakPolarHBondContact OG-CD1 2.95Å; A996-L998 PolarHBondContact O-N 3.28Å; A996-L998 VanDerWaalsContact O-N 3.11Å

Retrieved 998 of 998 residues in 672.4 ms (Link to these results)

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