A0A077ZG20_TRITR Loading...

phosphoglycerate mutase (2,3-diphosphoglycerate-dependent)

AlphaFold DB , UniProt , Accession A0A077ZG20, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 244 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
1M42.4Very low39.8Very low240 Ų240163.7 Ų163.7100%1.18283%0.834SS**  0116.80-147.6163.377.900106.2
2N40.3Very low40.2Very low155 Ų155164.3 Ų164.383%0.82983%0.826SS**  trans-30.7118.3-161.1-64.2-13.7000117.6E4N2-E4 PolarHBondContact O-N 3.41Å
3Q42.3Very low41Very low196 Ų196155.8 Ų155.892%0.91681%0.806SS**  trans-80.298.6151-86.3179.7-21.300107.3L5Q3-L5 PolarHBondContact O-N 3.26Å
4E42.9Very low41.9Very low176 Ų176158.1 Ų158.182%0.82281%0.811SS**  trans-65.1114.9165-79.4177156.200108.7N2 K6N2-E4 PolarHBondContact O-N 3.41Å; E4-K6 PolarHBondContact O-N 3.06Å
5L41.1Very low43.1Very low163 Ų163153.6 Ų153.685%0.85379%0.789SS**  trans-59106.3165.3-83.9148.2000108.2Q3 I7Q3-L5 PolarHBondContact O-N 3.26Å; L5-I7 PolarHBondContact O-N 2.9Å
6K40.9Very low44.8Very low186 Ų186150.9 Ų150.981%0.80978%0.782SS**  trans-61.3102.6161.4-86.4-177.6173-177.60107.8E4 S8E4-K6 PolarHBondContact O-N 3.06Å; K6-S8 PolarHBondContact O-N 2.99Å
7I40.5Very low47.3Very low166 Ų166147.8 Ų147.885%0.85176%0.764SS**  trans-71.969.9157.7-54.3171.1000105.8L5L5-I7 PolarHBondContact O-N 2.9Å
8S32.8Very low50Low79 Ų79140.2 Ų140.255%0.55273%0.725SS**  trans-96.4114.9171.952.30000107.8K6K6-S8 PolarHBondContact O-N 2.99Å
9E35.9Very low52.5Low183 Ų183135.1 Ų135.186%0.85570%0.697SS**  trans58.374.5151.3-62173.1166.700115S11E9-S11 PolarHBondContact O-N 3.01Å
10I40.4Very low54.8Low160 Ų160128.4 Ų128.482%0.82166%0.662SS**  trans-60.8104.3140.5-60.3173.7000104K12I10-K12 PolarHBondContact O-N 2.9Å
11S38.8Very low56.9Low97 Ų97122.2 Ų122.268%0.67863%0.631SS**  trans-53.5112.7170.863.20000106.3E9 G13E9-S11 PolarHBondContact O-N 3.01Å; S11-G13 VanDerWaalsContact C-N 3.29Å; S11-G13 PolarHBondContact O-N 2.93Å
12K44.6Very low59.6Low170 Ų170110.8 Ų110.874%0.73958%0.575SS**  trans-52.1110.4153.8-76.5-173.2172.9-169.80103.7I10I10-K12 PolarHBondContact O-N 2.9Å
13G50.2Low62.4Low55 Ų55103.5 Ų103.557%0.56754%0.535SS*.  trans-47.7149.1170.900000108S11 N15S11-G13 VanDerWaalsContact C-N 3.29Å; S11-G13 PolarHBondContact O-N 2.93Å; G13-N15 PolarHBondContact O-N 3.32Å
14E54Low65.1Low187 Ų18796.4 Ų96.487%0.87450%0.5SS*.SBendtrans-30.9112.6-178.2-75.6-175.8145.800110.1V16E14-V16 VanDerWaalsContact C-N 3.26Å; E14-V16 WeakPolarHBondContact O-CG2 3.24Å; E14-V16 PolarHBondContact O-N 3.26Å
15N58.8Low67.7Low91 Ų9188.2 Ų88.249%0.48746%0.462SS..  trans-66.992.3-168.3-159.120.1000107.1G13 M17 D234G13-N15 PolarHBondContact O-N 3.32Å; N15-M17 PolarHBondContact O-N 2.94Å; N15-M17 VanDerWaalsContact O-N 3.13Å; N15-D234 PolarHBondContact ND2-OD1 3.49Å; N15-D234 PolarHBondContact ND2-OD2 3.48Å
16V70.8Confident70.4Confident111 Ų11180.4 Ų80.467%0.67342%0.421SS*.  trans-65.5115.9-176.9-1780000106.1E14 P18E14-V16 VanDerWaalsContact C-N 3.26Å; E14-V16 WeakPolarHBondContact O-CG2 3.24Å; E14-V16 PolarHBondContact O-N 3.26Å; V16-P18 WeakPolarHBondContact O-CD 3.38Å
17M86.7Confident73.1Confident97 Ų9773.7 Ų73.748%0.47839%0.394SS..  trans-54125.4-179-70.9-169.1-61.200109.6N15 K19 D231N15-M17 PolarHBondContact O-N 2.94Å; N15-M17 VanDerWaalsContact O-N 3.13Å; M17-K19 PolarHBondContact O-N 3.42Å; M17-D231 HydrophobicContact CE-CB 4.27Å
18P96.4Very high75.8Confident11 Ų1165.8 Ų65.87%0.07135%0.353CS..  trans-54.8128.6179.1-25.431.4000111.1V16 L187 L232 L236V16-P18 WeakPolarHBondContact O-CD 3.38Å; P18-L187 HydrophobicContact CB-CB 4.15Å; P18-L187 HydrophobicContact CB-CD2 4.16Å; P18-L232 HydrophobicContact CB-CB 4.27Å; P18-L232 WeakPolarHBondContact CD-O 3.35Å; P18-L232 WeakPolarHBondContact O-CB 3.42Å; P18-L232 PolarHBondContact O-N 3.09Å; P18-L236 HydrophobicContact CB-CD2 4.2Å; P18-L236 HydrophobicContact CG-CD2 4.3Å
19K98.2Very high78.9Confident44 Ų4466.5 Ų66.519%0.19135%0.348CS..EExtended strand (participates in β ladder)trans-113.2121.3-176.2-173.9180-61.8-65.80110.3M17 I64 L187 T192 V193 V229 Y230 D231M17-K19 PolarHBondContact O-N 3.42Å; K19-I64 HydrophobicContact CD-CD1 4.23Å; K19-I64 HydrophobicContact CD-CG1 4.15Å; K19-I64 HydrophobicContact CD-CG2 4.07Å; K19-L187 WeakPolarHBondContact O-CD2 3.24Å; K19-T192 HydrophobicContact CB-CG2 3.96Å; K19-T192 HydrophobicContact CD-CG2 4.02Å; K19-T192 HydrophobicContact CG-CG2 4.1Å; K19-T192 WeakPolarHBondContact O-CA 3.32Å; K19-V193 PolarHBondContact O-N 3.14Å; K19-V229 HydrophobicContact CD-CG1 4.31Å; K19-V229 HydrophobicContact CG-CG1 4.02Å; K19-Y230 WeakPolarHBondContact CA-O 3.4Å; K19-D231 IonicContact NZ-OD1 2.64Å; K19-D231 PolarHBondContact NZ-OD1 3.41Å
20L98.8Very high81.8Confident0 Ų060.7 Ų60.70%032%0.318CS..EExtended strand (participates in β ladder)trans-117.1128.5177.4174.466000109.3F22 W179 I183 L187 V193 V195 I209 Y230 L232L20-F22 HydrophobicContact CD1-CD1 4.08Å; L20-F22 HydrophobicContact CD1-CE1 3.81Å; L20-F22 HydrophobicContact CD2-CD1 4.17Å; L20-F22 HydrophobicContact CD2-CE1 3.55Å; L20-F22 HydrophobicContact CD2-CZ 3.84Å; L20-F22 HydrophobicContact CG-CD1 3.97Å; L20-F22 HydrophobicContact CG-CE1 3.78Å; L20-W179 HydrophobicContact CD2-CH2 4.04Å; L20-W179 HydrophobicContact CD2-CZ3 3.71Å; L20-I183 HydrophobicContact CD1-CG2 4.17Å; L20-L187 HydrophobicContact CB-CD1 4.27Å; L20-L187 HydrophobicContact CB-CD2 4.02Å; L20-L187 HydrophobicContact CD1-CD1 4.4Å; L20-L187 HydrophobicContact CD2-CD1 4.36Å; L20-V193 HydrophobicContact CD1-CB 4.02Å; L20-V193 HydrophobicContact CD1-CG1 3.96Å; L20-V195 HydrophobicContact CD1-CG2 3.8Å; L20-I209 HydrophobicContact CD2-CD1 3.88Å; L20-Y230 PolarHBondContact N-O 3.14Å; L20-Y230 PolarHBondContact O-N 2.73Å; L20-L232 HydrophobicContact CB-CD1 4.2Å
21V98.9Very high84.2Confident0 Ų055 Ų550%029%0.289CS..EExtended strand (participates in β ladder)trans-115.5117.6175.5-177.40000109.4I59 I64 F66 V193 L194 V195 P227 L228 V229V21-I59 HydrophobicContact CG1-CD1 3.95Å; V21-I59 HydrophobicContact CG2-CD1 4.47Å; V21-I64 HydrophobicContact CG2-CD1 4.41Å; V21-I64 HydrophobicContact CG2-CG2 4.28Å; V21-F66 HydrophobicContact CB-CE1 3.75Å; V21-F66 HydrophobicContact CB-CZ 4.01Å; V21-F66 HydrophobicContact CG1-CE1 4.48Å; V21-F66 HydrophobicContact CG1-CZ 4.24Å; V21-F66 HydrophobicContact CG2-CE1 3.6Å; V21-F66 HydrophobicContact CG2-CZ 4.01Å; V21-V193 PolarHBondContact N-O 2.8Å; V21-L194 HydrophobicContact CB-CD1 4.31Å; V21-L194 HydrophobicContact CG1-CD1 4.14Å; V21-L194 CarbonylContact O-C 3.59Å; V21-L194 WeakPolarHBondContact O-CA 3.46Å; V21-V195 PolarHBondContact O-N 3.14Å; V21-P227 HydrophobicContact CG1-CB 3.88Å; V21-L228 CarbonylContact C-O 3.51Å; V21-L228 WeakPolarHBondContact CA-O 3.34Å; V21-V229 HydrophobicContact CG2-CG1 4.31Å; V21-V229 HydrophobicContact CG2-CG2 4.14Å
22F98.8Very high86.7Confident0 Ų056 Ų560%028%0.282CS..EExtended strand (participates in β ladder)trans-90.9137.7168.3-76-4.2000110L20 V195 L202 L205 A206 I209 P227 L228 Y230L20-F22 HydrophobicContact CD1-CD1 4.08Å; L20-F22 HydrophobicContact CD1-CE1 3.81Å; L20-F22 HydrophobicContact CD2-CD1 4.17Å; L20-F22 HydrophobicContact CD2-CE1 3.55Å; L20-F22 HydrophobicContact CD2-CZ 3.84Å; L20-F22 HydrophobicContact CG-CD1 3.97Å; L20-F22 HydrophobicContact CG-CE1 3.78Å; F22-V195 HydrophobicContact CD1-CB 3.71Å; F22-V195 HydrophobicContact CD1-CG1 4.46Å; F22-V195 HydrophobicContact CD1-CG2 4.09Å; F22-V195 HydrophobicContact CE1-CB 3.88Å; F22-V195 HydrophobicContact CE1-CG1 4.38Å; F22-V195 HydrophobicContact CE1-CG2 3.87Å; F22-L202 HydrophobicContact CB-CD1 4.38Å; F22-L202 HydrophobicContact CB-CD2 4.04Å; F22-L202 HydrophobicContact CD1-CD2 3.93Å; F22-L202 HydrophobicContact CD2-CB 4.33Å; F22-L202 HydrophobicContact CD2-CD2 3.94Å; F22-L202 HydrophobicContact CE1-CD2 4.28Å; F22-L202 HydrophobicContact CE2-CD2 4.34Å; F22-L202 HydrophobicContact CG-CD2 3.72Å; F22-L202 HydrophobicContact CZ-CD2 4.48Å; F22-L205 HydrophobicContact CE1-CD1 4.49Å; F22-L205 HydrophobicContact CE2-CB 4.08Å; F22-L205 HydrophobicContact CZ-CB 3.75Å; F22-L205 HydrophobicContact CZ-CD1 4.12Å; F22-A206 HydrophobicContact CE2-CB 4.43Å; F22-I209 HydrophobicContact CE2-CD1 4.15Å; F22-I209 HydrophobicContact CZ-CD1 3.68Å; F22-P227 WeakPolarHBondContact O-CA 3.47Å; F22-L228 HydrophobicContact CB-CB 4.23Å; F22-L228 PolarHBondContact N-O 3.02Å; F22-L228 PolarHBondContact O-N 3.37Å; F22-Y230 AromaticContact CD2-CE2 3.69Å; F22-Y230 HydrophobicContact CD2-CE2 3.69Å; F22-Y230 HydrophobicContact CE2-CE2 4.1Å; F22-Y230 HydrophobicContact CG-CE2 4.14Å
23S98.7Very high89Confident1 Ų152.8 Ų52.81%0.00727%0.272CS..EExtended strand (participates in β ladder)trans-135.4117.5168.3-175.40000110I84 V195 A196 A197S23-I84 VanDerWaalsContact OG-CD1 3.28Å; S23-I84 WeakPolarHBondContact OG-CD1 3.26Å; S23-V195 PolarHBondContact N-O 2.8Å; S23-A196 CarbonylContact O-C 3.54Å; S23-A196 VanDerWaalsContact O-CA 3.28Å; S23-A196 WeakPolarHBondContact O-CA 3.33Å; S23-A197 PolarHBondContact O-N 3.09Å
24R98.7Very high91.1Very high47 Ų4753.5 Ų53.518%0.17726%0.263CS..EExtended strand (participates in β ladder)trans-75134169-179.7-179171.8-167.5-9107.8L202 I222 P223 T224 G225R24-L202 HydrophobicContact CB-CD1 3.92Å; R24-I222 HydrophobicContact CB-CG2 4.1Å; R24-I222 WeakPolarHBondContact CD-O 3.32Å; R24-I222 PolarHBondContact NH1-O 2.93Å; R24-P223 WeakPolarHBondContact CB-O 3.25Å; R24-T224 HydrophobicContact CG-CG2 4.28Å; R24-G225 PolarHBondContact O-N 2.93Å
25H98.6Very high93.1Very high4 Ų446.8 Ų46.82%0.01923%0.231CC..PPolyproline II helixtrans-47.7148.3175.271.973.5000112L44 R76 A77 T80 A197 H198 T224H25-L44 HydrophobicContact CB-CD2 4.45Å; H25-R76 HydrophobicContact CB-CG 4.45Å; H25-R76 PolarHBondContact NE2-NE 2.9Å; H25-A77 HydrophobicContact CB-CB 4.33Å; H25-T80 WeakPolarHBondContact CA-OG1 3.47Å; H25-A197 PolarHBondContact CD2-O 3.47Å; H25-A197 PolarHBondContact N-O 3.07Å; H25-H198 AromaticContact CD2-CE1 3.83Å; H25-H198 AromaticContact CD2-CG 3.87Å; H25-H198 AromaticContact CD2-ND1 3.18Å; H25-H198 PolarHBondContact CD2-ND1 3.48Å; H25-H198 AromaticContact NE2-ND1 3.43Å; H25-H198 PolarHBondContact NE2-ND1 3.08Å; H25-T224 WeakPolarHBondContact O-CB 3.32Å; H25-T224 WeakPolarHBondContact O-CG2 3.21Å
26G97.2Very high94.9Very high0 Ų042.4 Ų42.40%021%0.208CC..PPolyproline II helixtrans-63.4172.7175.800000112.5S28 L44 E51 T80G26-S28 PolarHBondContact O-N 2.82Å; G26-S28 VanDerWaalsContact O-N 3.14Å; G26-L44 VanDerWaalsContact O-CD2 3.26Å; G26-L44 WeakPolarHBondContact O-CD2 3.28Å; G26-E51 WeakPolarHBondContact CA-OE2 3.3Å; G26-T80 PolarHBondContact N-OG1 3.09Å
27L97.2Very high96.2Very high44 Ų4437.6 Ų37.623%0.2318%0.179CC..PPolyproline II helixtrans-48.2121.2178-169.573.7000112.2N31 K32 A45 E47 G48 E51L27-N31 HydrophobicContact CD1-CB 3.53Å; L27-N31 HydrophobicContact CG-CB 4.27Å; L27-K32 HydrophobicContact CD2-CB 4.24Å; L27-A45 HydrophobicContact CD2-CB 4.46Å; L27-A45 WeakPolarHBondContact O-CB 3.4Å; L27-A45 PolarHBondContact O-N 3.07Å; L27-E47 HydrophobicContact CD2-CB 4.29Å; L27-G48 VanDerWaalsContact N-CA 3.31Å; L27-G48 WeakPolarHBondContact O-CA 3.12Å; L27-E51 PolarHBondContact N-OE2 3.4Å
28S97.5Very high96.7Very high0 Ų033 Ų330%016%0.156CC..BIsolated β-bridgetrans-86.6161.3173.765.50000112.4G26 W30 N31 K32 D43G26-S28 PolarHBondContact O-N 2.82Å; G26-S28 VanDerWaalsContact O-N 3.14Å; S28-W30 PolarHBondContact O-N 3.18Å; S28-N31 PolarHBondContact N-OD1 2.8Å; S28-N31 WeakPolarHBondContact O-CB 3.17Å; S28-N31 PolarHBondContact O-N 3.02Å; S28-N31 PolarHBondContact OG-N 2.92Å; S28-N31 PolarHBondContact OG-ND2 3.24Å; S28-N31 PolarHBondContact OG-OD1 2.77Å; S28-K32 PolarHBondContact O-N 2.98Å; S28-K32 VanDerWaalsContact O-N 3.1Å; S28-D43 WeakPolarHBondContact CA-O 3.44Å; S28-D43 WeakPolarHBondContact CB-O 3.4Å
29E97.4Very high96.7Very high95 Ų9532.8 Ų32.844%0.44415%0.154SC..Hα-helixtrans-51.7-43.8175.5-63.8175.6136.400111.7K32 L33 D43E29-K32 WeakPolarHBondContact O-CB 3.48Å; E29-K32 PolarHBondContact O-N 2.81Å; E29-L33 WeakPolarHBondContact O-CG 3.39Å; E29-L33 PolarHBondContact O-N 3.12Å; E29-L33 VanDerWaalsContact O-N 3.11Å; E29-D43 HydrophobicContact CG-CB 4.47Å; E29-D43 PolarHBondContact N-O 2.95Å; E29-D43 VanDerWaalsContact N-O 3.09Å; E29-D43 PolarHBondContact OE2-N 3.24Å
30W96.7Very high96.7Very high61 Ų6131.7 Ų31.723%0.23115%0.153CC..Hα-helixtrans-77.7-23.1179.6-78.924.8000113.9S28 K32 L33 N34 Q35 F36 T37 A40 V42 G111S28-W30 PolarHBondContact O-N 3.18Å; W30-K32 VanDerWaalsContact C-N 3.31Å; W30-L33 CarbonylContact O-C 3.54Å; W30-L33 PolarHBondContact O-N 3.13Å; W30-N34 PolarHBondContact O-N 2.88Å; W30-N34 VanDerWaalsContact O-N 3.1Å; W30-Q35 HydrophobicContact CB-CB 4.06Å; W30-Q35 HydrophobicContact CD2-CB 4.11Å; W30-Q35 HydrophobicContact CE3-CB 4.03Å; W30-Q35 HydrophobicContact CG-CB 4.16Å; W30-Q35 VanDerWaalsContact CG-OE1 3.32Å; W30-Q35 PolarHBondContact O-N 3.38Å; W30-F36 VanDerWaalsContact CE3-O 3.25Å; W30-F36 VanDerWaalsContact CZ3-O 3.27Å; W30-F36 WeakPolarHBondContact CZ3-O 3.44Å; W30-T37 WeakPolarHBondContact CB-OG1 3.5Å; W30-T37 HydrophobicContact CE3-CG2 4.24Å; W30-A40 HydrophobicContact CE3-CB 4.46Å; W30-A40 HydrophobicContact CH2-CB 3.85Å; W30-A40 HydrophobicContact CZ3-CB 3.67Å; W30-V42 HydrophobicContact CB-CG1 4.46Å; W30-V42 HydrophobicContact CB-CG2 4.34Å; W30-V42 HydrophobicContact CD2-CG1 3.59Å; W30-V42 HydrophobicContact CE3-CG1 4.17Å; W30-V42 HydrophobicContact CG-CB 4.36Å; W30-V42 HydrophobicContact CG-CG1 3.7Å; W30-V42 HydrophobicContact CG-CG2 4.43Å; W30-V42 HydrophobicContact CZ2-CG1 4.04Å; W30-G111 VanDerWaalsContact CH2-CA 3.49Å
31N90.8Very high96.6Very high39 Ų3934.7 Ų34.721%0.20917%0.169CC..Hα-helixtrans-65.4-41.5168.7-62.8149.2000110.4L27 S28 L33 N34L27-N31 HydrophobicContact CD1-CB 3.53Å; L27-N31 HydrophobicContact CG-CB 4.27Å; S28-N31 PolarHBondContact N-OD1 2.8Å; S28-N31 WeakPolarHBondContact O-CB 3.17Å; S28-N31 PolarHBondContact O-N 3.02Å; S28-N31 PolarHBondContact OG-N 2.92Å; S28-N31 PolarHBondContact OG-ND2 3.24Å; S28-N31 PolarHBondContact OG-OD1 2.77Å; N31-L33 VanDerWaalsContact C-N 3.31Å; N31-L33 PolarHBondContact O-N 3.24Å; N31-N34 PolarHBondContact O-N 3.27Å; N31-N34 VanDerWaalsContact O-N 3.11Å
32K91.6Very high96.6Very high120 Ų12035.3 Ų35.352%0.52217%0.173SC..Hα-helixtrans-62.5-36.5174.6-172.2171.7-178.7167.20112.5L27 S28 E29 W30 N34 A45 E47L27-K32 HydrophobicContact CD2-CB 4.24Å; S28-K32 PolarHBondContact O-N 2.98Å; S28-K32 VanDerWaalsContact O-N 3.1Å; E29-K32 WeakPolarHBondContact O-CB 3.48Å; E29-K32 PolarHBondContact O-N 2.81Å; W30-K32 VanDerWaalsContact C-N 3.31Å; K32-N34 VanDerWaalsContact C-N 3.27Å; K32-N34 PolarHBondContact O-N 3.42Å; K32-A45 HydrophobicContact CD-CB 4.45Å; K32-E47 IonicContact NZ-OE1 3.99Å; K32-E47 PolarHBondContact NZ-OE1 2.9Å; K32-E47 IonicContact NZ-OE2 2.84Å; K32-E47 PolarHBondContact NZ-OE2 2.78Å
33L94.2Very high96.6Very high102 Ų10237.6 Ų37.653%0.53419%0.185SC..THydrogen-bonded Turntrans-83.44.3175.7-61.4176.6000114.3E29 W30 N31 Q35 N113E29-L33 WeakPolarHBondContact O-CG 3.39Å; E29-L33 PolarHBondContact O-N 3.12Å; E29-L33 VanDerWaalsContact O-N 3.11Å; W30-L33 CarbonylContact O-C 3.54Å; W30-L33 PolarHBondContact O-N 3.13Å; N31-L33 VanDerWaalsContact C-N 3.31Å; N31-L33 PolarHBondContact O-N 3.24Å; L33-Q35 VanDerWaalsContact C-N 3.26Å; L33-Q35 HydrophobicContact CB-CG 4.27Å; L33-Q35 PolarHBondContact O-N 3.13Å; L33-N113 PolarHBondContact O-ND2 3.49Å; L33-N113 VanDerWaalsContact O-ND2 3.15Å
34N93.9Very high96.5Very high70 Ų7038 Ų3837%0.37419%0.187SC..THydrogen-bonded Turntrans55.336.2-177.5-162.938.2000114W30 N31 K32 K114W30-N34 PolarHBondContact O-N 2.88Å; W30-N34 VanDerWaalsContact O-N 3.1Å; N31-N34 PolarHBondContact O-N 3.27Å; N31-N34 VanDerWaalsContact O-N 3.11Å; K32-N34 VanDerWaalsContact C-N 3.27Å; K32-N34 PolarHBondContact O-N 3.42Å; N34-K114 WeakPolarHBondContact O-CB 3.33Å; N34-K114 VanDerWaalsContact O-CG 3.3Å; N34-K114 WeakPolarHBondContact O-CG 3.33Å; N34-K114 PolarHBondContact O-N 3.07Å; N34-K114 WeakPolarHBondContact OD1-CD 3.34Å
35Q96.2Very high96.5Very high45 Ų4535.8 Ų35.821%0.2118%0.179CC..BIsolated β-bridgetrans-97.5154.2178.3-72.7172.1-38.300112.2W30 L33 G111 L112 K114W30-Q35 HydrophobicContact CB-CB 4.06Å; W30-Q35 HydrophobicContact CD2-CB 4.11Å; W30-Q35 HydrophobicContact CE3-CB 4.03Å; W30-Q35 HydrophobicContact CG-CB 4.16Å; W30-Q35 VanDerWaalsContact CG-OE1 3.32Å; W30-Q35 PolarHBondContact O-N 3.38Å; L33-Q35 VanDerWaalsContact C-N 3.26Å; L33-Q35 HydrophobicContact CB-CG 4.27Å; L33-Q35 PolarHBondContact O-N 3.13Å; Q35-G111 PolarHBondContact NE2-O 3.47Å; Q35-L112 CarbonylContact C-O 3.59Å; Q35-L112 VanDerWaalsContact CA-O 3.27Å; Q35-L112 WeakPolarHBondContact CA-O 3.3Å; Q35-K114 VanDerWaalsContact O-CE 3.24Å; Q35-K114 WeakPolarHBondContact O-CE 3.37Å
36F96.1Very high96.5Very high0 Ų040.3 Ų40.30%021%0.209CC..  trans-76.3125166.7-64.4-85.5000109.7W30 Y106 L109 Q110 G111 L112 K114 T117 V126 R130W30-F36 VanDerWaalsContact CE3-O 3.25Å; W30-F36 VanDerWaalsContact CZ3-O 3.27Å; W30-F36 WeakPolarHBondContact CZ3-O 3.44Å; F36-Y106 HydrophobicContact CB-CD2 4.49Å; F36-Y106 HydrophobicContact CB-CG 4.22Å; F36-Y106 AromaticContact CD1-CD1 3.6Å; F36-Y106 HydrophobicContact CD1-CD1 3.6Å; F36-Y106 HydrophobicContact CD1-CD2 4.47Å; F36-Y106 AromaticContact CD1-CE1 3.66Å; F36-Y106 HydrophobicContact CD1-CE1 3.66Å; F36-Y106 HydrophobicContact CD1-CG 4.01Å; F36-Y106 HydrophobicContact CE1-CD1 4.15Å; F36-Y106 AromaticContact CE1-CE1 3.99Å; F36-Y106 HydrophobicContact CE1-CE1 3.99Å; F36-Y106 HydrophobicContact CG-CD1 4.45Å; F36-L109 HydrophobicContact CB-CB 4.28Å; F36-L109 VanDerWaalsContact CB-O 3.31Å; F36-L109 WeakPolarHBondContact CB-O 3.38Å; F36-L109 HydrophobicContact CD1-CB 4.48Å; F36-L109 HydrophobicContact CD2-CB 3.96Å; F36-L109 HydrophobicContact CE1-CD1 4.37Å; F36-L109 HydrophobicContact CE2-CB 4.36Å; F36-L109 HydrophobicContact CG-CB 4.02Å; F36-L109 HydrophobicContact CZ-CD1 4.33Å; F36-Q110 CarbonylContact O-C 3.59Å; F36-Q110 WeakPolarHBondContact O-CA 3.28Å; F36-G111 PolarHBondContact O-N 3.38Å; F36-L112 HydrophobicContact CD2-CB 4.39Å; F36-L112 WeakPolarHBondContact CD2-O 3.38Å; F36-L112 PolarHBondContact N-O 2.83Å; F36-K114 HydrophobicContact CD1-CG 4.12Å; F36-K114 HydrophobicContact CD2-CG 3.79Å; F36-K114 HydrophobicContact CE1-CD 4.49Å; F36-K114 HydrophobicContact CE1-CG 3.96Å; F36-K114 HydrophobicContact CE2-CB 4.12Å; F36-K114 HydrophobicContact CE2-CG 3.6Å; F36-K114 HydrophobicContact CG-CG 4.04Å; F36-K114 HydrophobicContact CZ-CB 4.27Å; F36-K114 HydrophobicContact CZ-CG 3.7Å; F36-T117 HydrophobicContact CE2-CG2 3.92Å; F36-T117 HydrophobicContact CZ-CG2 4.45Å; F36-V126 HydrophobicContact CZ-CG1 3.91Å; F36-R130 HydrophobicContact CE1-CG 3.72Å; F36-R130 HydrophobicContact CZ-CG 4.43Å
37T97.1Very high96.5Very high9 Ų944.3 Ų44.36%0.05523%0.227CC..  trans-98.3-62.1-176.4-49.80000112.4W30 W39 A40 V42 Q110W30-T37 WeakPolarHBondContact CB-OG1 3.5Å; W30-T37 HydrophobicContact CE3-CG2 4.24Å; T37-W39 PolarHBondContact O-N 3.13Å; T37-A40 HydrophobicContact CG2-CB 4.26Å; T37-A40 WeakPolarHBondContact CG2-O 3.32Å; T37-A40 VanDerWaalsContact O-CB 3.24Å; T37-A40 WeakPolarHBondContact O-CB 3.19Å; T37-A40 PolarHBondContact O-N 2.97Å; T37-V42 HydrophobicContact CG2-CG1 4.29Å; T37-V42 HydrophobicContact CG2-CG2 3.45Å; T37-V42 VanDerWaalsContact CG2-CG2 3.45Å; T37-Q110 WeakPolarHBondContact O-CG 3.47Å; T37-Q110 PolarHBondContact O-OE1 2.99Å
38G97.2Very high96.6Very high0 Ų042.2 Ų42.20%022%0.216CC..THydrogen-bonded Turntrans58.8-128.5-173.400000111.7A40 R76 R104G38-A40 VanDerWaalsContact C-N 3.3Å; G38-R76 PolarHBondContact O-NH2 3.48Å; G38-R104 VanDerWaalsContact CA-O 3.24Å; G38-R104 WeakPolarHBondContact CA-O 3.25Å
39W98.1Very high96.6Very high7 Ų743.3 Ų43.33%0.02722%0.223CC..THydrogen-bonded Turntrans-84-2.7-179.5-73.932.5000113.9T37 D41 W99 N102 E103 H105 A148 Y154 P163T37-W39 PolarHBondContact O-N 3.13Å; W39-D41 PolarHBondContact O-N 3.27Å; W39-W99 HydrophobicContact CH2-CD2 4.43Å; W39-W99 AromaticContact CH2-CE3 3.53Å; W39-W99 HydrophobicContact CH2-CE3 3.53Å; W39-W99 HydrophobicContact CH2-CZ3 4.06Å; W39-W99 AromaticContact CZ2-CE3 3.91Å; W39-W99 HydrophobicContact CZ2-CE3 3.91Å; W39-W99 HydrophobicContact CZ2-CZ3 4.36Å; W39-N102 HydrophobicContact CD2-CB 4.24Å; W39-N102 HydrophobicContact CG-CB 4.49Å; W39-N102 HydrophobicContact CZ2-CB 3.96Å; W39-E103 PolarHBondContact NE1-O 2.6Å; W39-H105 AromaticContact CD1-CD2 3.88Å; W39-H105 AromaticContact CD2-CD2 3.88Å; W39-H105 HydrophobicContact CG-CB 4.41Å; W39-H105 AromaticContact CG-CD2 3.52Å; W39-A148 HydrophobicContact CE3-CB 3.69Å; W39-A148 HydrophobicContact CZ3-CB 4.08Å; W39-Y154 HydrophobicContact CE3-CD1 4.36Å; W39-Y154 AromaticContact CE3-CE1 3.66Å; W39-Y154 HydrophobicContact CE3-CE1 3.66Å; W39-Y154 HydrophobicContact CE3-CE2 4.01Å; W39-Y154 AromaticContact CE3-CZ 3.44Å; W39-Y154 VanDerWaalsContact CE3-CZ 3.44Å; W39-Y154 HydrophobicContact CH2-CE1 4.2Å; W39-Y154 AromaticContact CZ3-CD1 3.69Å; W39-Y154 HydrophobicContact CZ3-CD1 3.69Å; W39-Y154 AromaticContact CZ3-CE1 3.33Å; W39-Y154 HydrophobicContact CZ3-CE1 3.33Å; W39-Y154 HydrophobicContact CZ3-CE2 4.25Å; W39-Y154 HydrophobicContact CZ3-CG 4.28Å; W39-Y154 AromaticContact CZ3-CZ 3.64Å; W39-P163 HydrophobicContact CH2-CG 3.85Å; W39-P163 HydrophobicContact CZ2-CG 3.7Å; W39-P163 HydrophobicContact CZ3-CG 4.32Å
40A96.9Very high96.7Very high22 Ų2243.2 Ų43.218%0.18222%0.223CC..  trans-55129.216900000109.6W30 T37 G38 V42 R76W30-A40 HydrophobicContact CE3-CB 4.46Å; W30-A40 HydrophobicContact CH2-CB 3.85Å; W30-A40 HydrophobicContact CZ3-CB 3.67Å; T37-A40 HydrophobicContact CG2-CB 4.26Å; T37-A40 WeakPolarHBondContact CG2-O 3.32Å; T37-A40 VanDerWaalsContact O-CB 3.24Å; T37-A40 WeakPolarHBondContact O-CB 3.19Å; T37-A40 PolarHBondContact O-N 2.97Å; G38-A40 VanDerWaalsContact C-N 3.3Å; A40-V42 PolarHBondContact O-N 3.41Å; A40-V42 VanDerWaalsContact O-N 3.12Å; A40-R76 PolarHBondContact O-NH1 2.96Å
41D97.8Very high96.8Very high63 Ų6343.1 Ų43.134%0.33723%0.225SC..  trans-92.770.8-170.8-164.829.2000112.7W39 L74 T75 R153W39-D41 PolarHBondContact O-N 3.27Å; D41-L74 WeakPolarHBondContact OD1-CA 3.38Å; D41-T75 VanDerWaalsContact OD1-CB 3.29Å; D41-T75 WeakPolarHBondContact OD1-CB 3.34Å; D41-T75 PolarHBondContact OD1-N 2.99Å; D41-T75 PolarHBondContact OD1-OG1 3.11Å; D41-T75 PolarHBondContact OD2-OG1 3.49Å; D41-R153 IonicContact OD1-NH1 3.3Å; D41-R153 IonicContact OD2-CZ 3.77Å; D41-R153 IonicContact OD2-NH1 3.86Å; D41-R153 PolarHBondContact OD2-NH1 3.28Å; D41-R153 IonicContact OD2-NH2 2.87Å
42V97.5Very high97.2Very high13 Ų1341.2 Ų41.28%0.07922%0.215CC..PPolyproline II helixtrans-87.4154.9177.7-55.70000111.6W30 T37 A40W30-V42 HydrophobicContact CB-CG1 4.46Å; W30-V42 HydrophobicContact CB-CG2 4.34Å; W30-V42 HydrophobicContact CD2-CG1 3.59Å; W30-V42 HydrophobicContact CE3-CG1 4.17Å; W30-V42 HydrophobicContact CG-CB 4.36Å; W30-V42 HydrophobicContact CG-CG1 3.7Å; W30-V42 HydrophobicContact CG-CG2 4.43Å; W30-V42 HydrophobicContact CZ2-CG1 4.04Å; T37-V42 HydrophobicContact CG2-CG1 4.29Å; T37-V42 HydrophobicContact CG2-CG2 3.45Å; T37-V42 VanDerWaalsContact CG2-CG2 3.45Å; A40-V42 PolarHBondContact O-N 3.41Å; A40-V42 VanDerWaalsContact O-N 3.12Å
43D98.5Very high97.5Very high48 Ų4837.9 Ų37.926%0.25720%0.2SC..PPolyproline II helixtrans-83172.4-179.4-143.8-28.9000112.3S28 E29 K79S28-D43 WeakPolarHBondContact CA-O 3.44Å; S28-D43 WeakPolarHBondContact CB-O 3.4Å; E29-D43 HydrophobicContact CG-CB 4.47Å; E29-D43 PolarHBondContact N-O 2.95Å; E29-D43 VanDerWaalsContact N-O 3.09Å; E29-D43 PolarHBondContact OE2-N 3.24Å; D43-K79 VanDerWaalsContact OD1-CD 3.26Å; D43-K79 WeakPolarHBondContact OD1-CD 3.33Å; D43-K79 WeakPolarHBondContact OD1-CE 3.26Å; D43-K79 IonicContact OD1-NZ 3.47Å; D43-K79 PolarHBondContact OD1-NZ 3.05Å; D43-K79 IonicContact OD2-NZ 2.71Å; D43-K79 PolarHBondContact OD2-NZ 3.3Å
44L98.5Very high97.7Very high9 Ų936.6 Ų36.65%0.04719%0.191CC..BIsolated β-bridgetrans-70.3140165.2-67.3171.4000109.7H25 G26 V49 R76 K79 Y83H25-L44 HydrophobicContact CB-CD2 4.45Å; G26-L44 VanDerWaalsContact O-CD2 3.26Å; G26-L44 WeakPolarHBondContact O-CD2 3.28Å; L44-V49 HydrophobicContact CB-CG2 3.86Å; L44-V49 HydrophobicContact CD1-CG2 4.23Å; L44-R76 HydrophobicContact CD2-CB 3.93Å; L44-R76 HydrophobicContact CG-CB 4.15Å; L44-K79 HydrophobicContact CD1-CB 3.83Å; L44-Y83 HydrophobicContact CD1-CD2 4.33Å; L44-Y83 HydrophobicContact CD1-CE2 4.2Å
45A98.1Very high98Very high1 Ų133.2 Ų33.21%0.00817%0.174CC..PPolyproline II helixtrans-69.3160.6162.900000109.6L27 K32 E47 G48 V49L27-A45 HydrophobicContact CD2-CB 4.46Å; L27-A45 WeakPolarHBondContact O-CB 3.4Å; L27-A45 PolarHBondContact O-N 3.07Å; K32-A45 HydrophobicContact CD-CB 4.45Å; A45-E47 PolarHBondContact O-N 2.92Å; A45-G48 WeakPolarHBondContact O-CA 3.45Å; A45-G48 PolarHBondContact O-N 3.01Å; A45-V49 PolarHBondContact O-N 2.65Å
46P98.2Very high98.1Very high99 Ų9931.1 Ų31.164%0.64316%0.164SC*.Hα-helixtrans-52.5-39.2176.1-2836.1000113.1G48 V49 E50P46-G48 VanDerWaalsContact C-N 3.34Å; P46-G48 PolarHBondContact O-N 3.31Å; P46-V49 WeakPolarHBondContact O-CB 3.46Å; P46-V49 PolarHBondContact O-N 2.87Å; P46-E50 PolarHBondContact O-N 2.86Å
47E97.9Very high98.2Very high83 Ų8334.6 Ų34.639%0.38818%0.177SC..Hα-helixtrans-64.2-38.5175.3-57.591.7155.300112L27 K32 A45 V49 E50 E51L27-E47 HydrophobicContact CD2-CB 4.29Å; K32-E47 IonicContact NZ-OE1 3.99Å; K32-E47 PolarHBondContact NZ-OE1 2.9Å; K32-E47 IonicContact NZ-OE2 2.84Å; K32-E47 PolarHBondContact NZ-OE2 2.78Å; A45-E47 PolarHBondContact O-N 2.92Å; E47-V49 VanDerWaalsContact C-N 3.34Å; E47-V49 PolarHBondContact O-N 3.28Å; E47-E50 PolarHBondContact O-N 3.12Å; E47-E51 WeakPolarHBondContact O-CG 3.15Å; E47-E51 PolarHBondContact O-N 3.19Å
48G98.4Very high98.3Very high0 Ų036.6 Ų36.60%019%0.185CC..Hα-helixtrans-70.7-26.5176.900000114.2L27 A45 P46 A52L27-G48 VanDerWaalsContact N-CA 3.31Å; L27-G48 WeakPolarHBondContact O-CA 3.12Å; A45-G48 WeakPolarHBondContact O-CA 3.45Å; A45-G48 PolarHBondContact O-N 3.01Å; P46-G48 VanDerWaalsContact C-N 3.34Å; P46-G48 PolarHBondContact O-N 3.31Å; G48-A52 PolarHBondContact O-N 2.95Å; G48-A52 VanDerWaalsContact O-N 3.11Å
49V98.7Very high98.4Very high23 Ų2336.6 Ų36.614%0.13919%0.185CC..Hα-helixtrans-66.1-47.1169.9171.80000110.1L44 A45 P46 E47 A52 K53 Y83L44-V49 HydrophobicContact CB-CG2 3.86Å; L44-V49 HydrophobicContact CD1-CG2 4.23Å; A45-V49 PolarHBondContact O-N 2.65Å; P46-V49 WeakPolarHBondContact O-CB 3.46Å; P46-V49 PolarHBondContact O-N 2.87Å; E47-V49 VanDerWaalsContact C-N 3.34Å; E47-V49 PolarHBondContact O-N 3.28Å; V49-A52 PolarHBondContact O-N 2.81Å; V49-K53 HydrophobicContact CG1-CD 4.42Å; V49-K53 WeakPolarHBondContact O-CG 3.44Å; V49-K53 PolarHBondContact O-N 2.97Å; V49-Y83 HydrophobicContact CB-CE2 4.26Å; V49-Y83 HydrophobicContact CG1-CD2 4.32Å; V49-Y83 HydrophobicContact CG1-CE1 4.24Å; V49-Y83 HydrophobicContact CG1-CE2 3.69Å; V49-Y83 HydrophobicContact CG2-CE2 4.01Å
50E98.6Very high98.4Very high93 Ų9341 Ų4144%0.43520%0.204SC..Hα-helixtrans-67.6-36.4179-66.2-55.3124.600112.3P46 E47 A52 K53 E54P46-E50 PolarHBondContact O-N 2.86Å; E47-E50 PolarHBondContact O-N 3.12Å; E50-A52 VanDerWaalsContact C-N 3.34Å; E50-A52 PolarHBondContact O-N 3.37Å; E50-K53 PolarHBondContact O-N 2.9Å; E50-K53 IonicContact OE1-NZ 3.63Å; E50-K53 PolarHBondContact OE1-NZ 3.24Å; E50-E54 WeakPolarHBondContact O-CB 3.47Å; E50-E54 PolarHBondContact O-N 3.34Å
51E98.5Very high98.5Very high59 Ų5947.5 Ų47.528%0.27623%0.231SC..Hα-helixtrans-55.8-46.7169.1-80.3177.4-172.600112.1G26 L27 E47 E54 G55 T224G26-E51 WeakPolarHBondContact CA-OE2 3.3Å; L27-E51 PolarHBondContact N-OE2 3.4Å; E47-E51 WeakPolarHBondContact O-CG 3.15Å; E47-E51 PolarHBondContact O-N 3.19Å; E51-E54 PolarHBondContact O-N 2.85Å; E51-G55 PolarHBondContact O-N 3.43Å; E51-T224 WeakPolarHBondContact OE2-CB 3.44Å; E51-T224 PolarHBondContact OE2-OG1 3.29Å
52A98.8Very high98.5Very high0 Ų046.9 Ų46.90%023%0.234CC..Hα-helixtrans-65.3-41.5179.600000112.3G48 V49 E50 G55 G56 T80 Y83 I84G48-A52 PolarHBondContact O-N 2.95Å; G48-A52 VanDerWaalsContact O-N 3.11Å; V49-A52 PolarHBondContact O-N 2.81Å; E50-A52 VanDerWaalsContact C-N 3.34Å; E50-A52 PolarHBondContact O-N 3.37Å; A52-G55 PolarHBondContact O-N 3.02Å; A52-G56 PolarHBondContact O-N 3.15Å; A52-G56 VanDerWaalsContact O-N 3.17Å; A52-T80 HydrophobicContact CB-CG2 3.81Å; A52-Y83 HydrophobicContact CB-CD2 4.01Å; A52-Y83 HydrophobicContact CB-CG 4.4Å; A52-I84 WeakPolarHBondContact O-CG1 3.21Å
53K98.9Very high98.5Very high49 Ų4949.1 Ų49.121%0.21326%0.26CS..Hα-helixtrans-65.9-41.9177.5-70.8178.2-176.9166.10112.3V49 E50 G55 G56 R57 Y83 E87V49-K53 HydrophobicContact CG1-CD 4.42Å; V49-K53 WeakPolarHBondContact O-CG 3.44Å; V49-K53 PolarHBondContact O-N 2.97Å; E50-K53 PolarHBondContact O-N 2.9Å; E50-K53 IonicContact OE1-NZ 3.63Å; E50-K53 PolarHBondContact OE1-NZ 3.24Å; K53-G55 VanDerWaalsContact C-N 3.28Å; K53-G55 PolarHBondContact O-N 2.64Å; K53-G56 PolarHBondContact O-N 2.91Å; K53-R57 PolarHBondContact O-N 3.24Å; K53-Y83 HydrophobicContact CG-CD1 4.06Å; K53-Y83 HydrophobicContact CG-CG 4.16Å; K53-E87 HydrophobicContact CB-CG 3.78Å; K53-E87 HydrophobicContact CG-CG 3.9Å
54E98.8Very high98.5Very high75 Ų7547.3 Ų47.335%0.3525%0.25SS..Hα-helixtrans-60.5-40.7175.5-175.659.3-162.900111.6E50 E51 G56 R57 K58E50-E54 WeakPolarHBondContact O-CB 3.47Å; E50-E54 PolarHBondContact O-N 3.34Å; E51-E54 PolarHBondContact O-N 2.85Å; E54-G56 VanDerWaalsContact C-N 3.3Å; E54-G56 PolarHBondContact O-N 2.91Å; E54-R57 PolarHBondContact O-N 2.61Å; E54-R57 IonicContact OE2-CZ 2.87Å; E54-R57 VanDerWaalsContact OE2-CZ 3.27Å; E54-R57 IonicContact OE2-NE 2.76Å; E54-R57 PolarHBondContact OE2-NE 3.17Å; E54-R57 IonicContact OE2-NH2 2.73Å; E54-R57 PolarHBondContact OE2-NH2 3.19Å; E54-K58 HydrophobicContact CG-CD 4.46Å; E54-K58 WeakPolarHBondContact O-CG 3.49Å; E54-K58 PolarHBondContact O-N 3.39Å
55G98.7Very high98.5Very high0 Ų054.4 Ų54.40%028%0.283CS..Hα-helixtrans-55.8-43.1171.100000112.7E51 A52 K53 K58 I59E51-G55 PolarHBondContact O-N 3.43Å; A52-G55 PolarHBondContact O-N 3.02Å; K53-G55 VanDerWaalsContact C-N 3.28Å; K53-G55 PolarHBondContact O-N 2.64Å; G55-K58 PolarHBondContact O-N 3.34Å; G55-I59 VanDerWaalsContact O-CG1 3.28Å; G55-I59 WeakPolarHBondContact O-CG1 3.33Å; G55-I59 PolarHBondContact O-N 3.4Å
56G98.8Very high98.5Very high0 Ų054.4 Ų54.40%028%0.283CS..Hα-helixtrans-66.1-40.7176.100000113.9A52 K53 E54 K58 I59 K60 I84A52-G56 PolarHBondContact O-N 3.15Å; A52-G56 VanDerWaalsContact O-N 3.17Å; K53-G56 PolarHBondContact O-N 2.91Å; E54-G56 VanDerWaalsContact C-N 3.3Å; E54-G56 PolarHBondContact O-N 2.91Å; G56-K58 PolarHBondContact O-N 3.25Å; G56-I59 WeakPolarHBondContact O-CB 3.49Å; G56-I59 PolarHBondContact O-N 2.99Å; G56-K60 PolarHBondContact O-N 3.09Å; G56-I84 WeakPolarHBondContact CA-O 3.45Å
57R98.8Very high98.6Very high74 Ų7453.7 Ų53.728%0.27927%0.274SS..Hα-helixtrans-60.7-44.6174.1-71.4-173.5-73.6-92.95.9112.1K53 E54 I59 K60 E61 E87K53-R57 PolarHBondContact O-N 3.24Å; E54-R57 PolarHBondContact O-N 2.61Å; E54-R57 IonicContact OE2-CZ 2.87Å; E54-R57 VanDerWaalsContact OE2-CZ 3.27Å; E54-R57 IonicContact OE2-NE 2.76Å; E54-R57 PolarHBondContact OE2-NE 3.17Å; E54-R57 IonicContact OE2-NH2 2.73Å; E54-R57 PolarHBondContact OE2-NH2 3.19Å; R57-I59 VanDerWaalsContact C-N 3.33Å; R57-I59 PolarHBondContact O-N 2.72Å; R57-K60 VanDerWaalsContact O-CB 3.32Å; R57-K60 WeakPolarHBondContact O-CB 3.36Å; R57-K60 PolarHBondContact O-N 2.87Å; R57-K60 VanDerWaalsContact O-N 3.15Å; R57-E61 WeakPolarHBondContact O-CG 3.1Å; R57-E61 PolarHBondContact O-N 3.02Å; R57-E87 HydrophobicContact CG-CB 4.22Å; R57-E87 WeakPolarHBondContact CG-OE2 3.49Å; R57-E87 IonicContact CZ-OE2 3.27Å; R57-E87 IonicContact NH1-OE2 2.78Å; R57-E87 PolarHBondContact NH1-OE2 3.11Å
58K98.7Very high98.6Very high51 Ų5150.2 Ų50.222%0.22226%0.258CS..Hα-helixtrans-62.5-38.1175.9-72.7175.8166.4-145.80113.1E54 G55 G56 K60 E61 A62 L244E54-K58 HydrophobicContact CG-CD 4.46Å; E54-K58 WeakPolarHBondContact O-CG 3.49Å; E54-K58 PolarHBondContact O-N 3.39Å; G55-K58 PolarHBondContact O-N 3.34Å; G56-K58 PolarHBondContact O-N 3.25Å; K58-K60 VanDerWaalsContact C-N 3.33Å; K58-E61 PolarHBondContact O-N 3.34Å; K58-A62 VanDerWaalsContact O-CB 3.28Å; K58-A62 WeakPolarHBondContact O-CB 3.35Å; K58-A62 PolarHBondContact O-N 3.49Å; K58-L244 HydrophobicContact CB-CB 4.07Å; K58-L244 HydrophobicContact CD-CB 4.39Å; K58-L244 WeakPolarHBondContact CD-O 3.37Å; K58-L244 WeakPolarHBondContact CD-OXT 3.35Å; K58-L244 WeakPolarHBondContact CE-OXT 3.18Å; K58-L244 PolarHBondContact NZ-O 3.28Å; K58-L244 PolarHBondContact NZ-OXT 3.02Å
59I98.8Very high98.6Very high0 Ų050.2 Ų50.20%026%0.258CS..Hα-helixtrans-60.7-44.6173-73-66000111V21 G55 G56 R57 A62 G63 I64 F66 I84 P227 L244V21-I59 HydrophobicContact CG1-CD1 3.95Å; V21-I59 HydrophobicContact CG2-CD1 4.47Å; G55-I59 VanDerWaalsContact O-CG1 3.28Å; G55-I59 WeakPolarHBondContact O-CG1 3.33Å; G55-I59 PolarHBondContact O-N 3.4Å; G56-I59 WeakPolarHBondContact O-CB 3.49Å; G56-I59 PolarHBondContact O-N 2.99Å; R57-I59 VanDerWaalsContact C-N 3.33Å; R57-I59 PolarHBondContact O-N 2.72Å; I59-A62 PolarHBondContact O-N 2.79Å; I59-G63 PolarHBondContact O-N 3.31Å; I59-I64 HydrophobicContact CD1-CB 4.45Å; I59-I64 HydrophobicContact CD1-CD1 4.06Å; I59-I64 HydrophobicContact CG2-CB 4.18Å; I59-I64 PolarHBondContact O-N 3.16Å; I59-I64 VanDerWaalsContact O-N 3.17Å; I59-F66 HydrophobicContact CD1-CE2 4.44Å; I59-F66 HydrophobicContact CD1-CZ 3.86Å; I59-F66 HydrophobicContact CG1-CE2 4.44Å; I59-F66 HydrophobicContact CG1-CZ 4.31Å; I59-F66 HydrophobicContact CG2-CD2 4.49Å; I59-F66 HydrophobicContact CG2-CE2 3.62Å; I59-F66 HydrophobicContact CG2-CZ 4.04Å; I59-I84 HydrophobicContact CG1-CG2 4.34Å; I59-P227 HydrophobicContact CD1-CB 3.98Å; I59-P227 HydrophobicContact CD1-CG 4.26Å; I59-P227 HydrophobicContact CG1-CB 4.36Å; I59-P227 HydrophobicContact CG1-CG 4.09Å; I59-L244 HydrophobicContact CD1-CD1 3.56Å; I59-L244 HydrophobicContact CG1-CD1 4.33Å
60K98.6Very high98.7Very high99 Ų9949.6 Ų49.643%0.4325%0.254SS..Hα-helixtrans-61.7-47.8176.6-165.7170.8176.5168.90112.1G56 R57 K58 A62 G63 E87 D89G56-K60 PolarHBondContact O-N 3.09Å; R57-K60 VanDerWaalsContact O-CB 3.32Å; R57-K60 WeakPolarHBondContact O-CB 3.36Å; R57-K60 PolarHBondContact O-N 2.87Å; R57-K60 VanDerWaalsContact O-N 3.15Å; K58-K60 VanDerWaalsContact C-N 3.33Å; K60-A62 VanDerWaalsContact C-N 3.27Å; K60-A62 PolarHBondContact O-N 2.71Å; K60-G63 PolarHBondContact O-N 3.17Å; K60-E87 WeakPolarHBondContact CD-O 3.31Å; K60-D89 WeakPolarHBondContact CE-OD2 3.39Å; K60-D89 IonicContact NZ-OD1 2.83Å; K60-D89 PolarHBondContact NZ-OD1 3.49Å; K60-D89 IonicContact NZ-OD2 3.97Å; K60-D89 PolarHBondContact NZ-OD2 2.96Å
61E98.5Very high98.7Very high159 Ų15945.2 Ų45.274%0.74323%0.233SC*.Hα-helixtrans-61.8-35.7177.9-72.4175.9-177.600112.3R57 K58 G63R57-E61 WeakPolarHBondContact O-CG 3.1Å; R57-E61 PolarHBondContact O-N 3.02Å; K58-E61 PolarHBondContact O-N 3.34Å; E61-G63 PolarHBondContact O-N 2.66Å
62A98.2Very high98.7Very high50 Ų5042.4 Ų42.441%0.41322%0.22SC..THydrogen-bonded Turntrans-75-8.1175.100000113.7K58 I59 K60 I64 L244K58-A62 VanDerWaalsContact O-CB 3.28Å; K58-A62 WeakPolarHBondContact O-CB 3.35Å; K58-A62 PolarHBondContact O-N 3.49Å; I59-A62 PolarHBondContact O-N 2.79Å; K60-A62 VanDerWaalsContact C-N 3.27Å; K60-A62 PolarHBondContact O-N 2.71Å; A62-I64 VanDerWaalsContact C-N 3.31Å; A62-I64 HydrophobicContact CB-CD1 4.05Å; A62-I64 HydrophobicContact CB-CG1 4.05Å; A62-I64 PolarHBondContact O-N 2.96Å; A62-L244 HydrophobicContact CB-CD1 4Å; A62-L244 HydrophobicContact CB-CD2 4.07Å
63G98.1Very high98.7Very high60 Ų6043.7 Ų43.762%0.61923%0.228SC*.THydrogen-bonded Turntrans65.131.4-17800000113.5I59 K60 E61I59-G63 PolarHBondContact O-N 3.31Å; K60-G63 PolarHBondContact O-N 3.17Å; E61-G63 PolarHBondContact O-N 2.66Å
64I98.5Very high98.7Very high10 Ų1041.4 Ų41.45%0.05122%0.218CC..PPolyproline II helixtrans-88.1116.3179.2-63.8173.6000109.5K19 V21 I59 A62 F66 Q90 T192 V229 L244K19-I64 HydrophobicContact CD-CD1 4.23Å; K19-I64 HydrophobicContact CD-CG1 4.15Å; K19-I64 HydrophobicContact CD-CG2 4.07Å; V21-I64 HydrophobicContact CG2-CD1 4.41Å; V21-I64 HydrophobicContact CG2-CG2 4.28Å; I59-I64 HydrophobicContact CD1-CB 4.45Å; I59-I64 HydrophobicContact CD1-CD1 4.06Å; I59-I64 HydrophobicContact CG2-CB 4.18Å; I59-I64 PolarHBondContact O-N 3.16Å; I59-I64 VanDerWaalsContact O-N 3.17Å; A62-I64 VanDerWaalsContact C-N 3.31Å; A62-I64 HydrophobicContact CB-CD1 4.05Å; A62-I64 HydrophobicContact CB-CG1 4.05Å; A62-I64 PolarHBondContact O-N 2.96Å; I64-F66 HydrophobicContact CG2-CD1 4.25Å; I64-F66 HydrophobicContact CG2-CE1 3.76Å; I64-F66 HydrophobicContact CG2-CZ 3.98Å; I64-Q90 PolarHBondContact O-NE2 3.25Å; I64-T192 HydrophobicContact CG2-CG2 4.01Å; I64-V229 HydrophobicContact CD1-CG1 4.49Å; I64-V229 HydrophobicContact CD1-CG2 4.02Å; I64-L244 HydrophobicContact CD1-CD1 3.97Å
65E98.4Very high98.7Very high158 Ų15839.8 Ų39.874%0.73821%0.213SC*.PPolyproline II helixtrans-102.7129174.5-61.8-176.3154.700109.8Q90 T192E65-Q90 VanDerWaalsContact CA-OE1 3.27Å; E65-T192 WeakPolarHBondContact O-CB 3.35Å; E65-T192 WeakPolarHBondContact O-CG2 3.32Å
66F98.8Very high98.7Very high1 Ų139.9 Ų39.90%0.00421%0.213CC..PPolyproline II helixtrans-99.1140.1-178.8-62.3-62.7000110.9V21 I59 I64 I84 L85 V93 T192 L194V21-F66 HydrophobicContact CB-CE1 3.75Å; V21-F66 HydrophobicContact CB-CZ 4.01Å; V21-F66 HydrophobicContact CG1-CE1 4.48Å; V21-F66 HydrophobicContact CG1-CZ 4.24Å; V21-F66 HydrophobicContact CG2-CE1 3.6Å; V21-F66 HydrophobicContact CG2-CZ 4.01Å; I59-F66 HydrophobicContact CD1-CE2 4.44Å; I59-F66 HydrophobicContact CD1-CZ 3.86Å; I59-F66 HydrophobicContact CG1-CE2 4.44Å; I59-F66 HydrophobicContact CG1-CZ 4.31Å; I59-F66 HydrophobicContact CG2-CD2 4.49Å; I59-F66 HydrophobicContact CG2-CE2 3.62Å; I59-F66 HydrophobicContact CG2-CZ 4.04Å; I64-F66 HydrophobicContact CG2-CD1 4.25Å; I64-F66 HydrophobicContact CG2-CE1 3.76Å; I64-F66 HydrophobicContact CG2-CZ 3.98Å; F66-I84 HydrophobicContact CE2-CG2 4.31Å; F66-L85 HydrophobicContact CD2-CD2 3.97Å; F66-V93 HydrophobicContact CB-CG1 4.14Å; F66-V93 HydrophobicContact CB-CG2 4.27Å; F66-V93 WeakPolarHBondContact O-CG2 3.49Å; F66-T192 HydrophobicContact CD1-CG2 3.89Å; F66-T192 HydrophobicContact CE1-CG2 4.32Å; F66-L194 HydrophobicContact CD1-CB 3.72Å; F66-L194 HydrophobicContact CD2-CB 4.24Å; F66-L194 HydrophobicContact CD2-CD2 4.45Å; F66-L194 HydrophobicContact CE1-CB 3.67Å; F66-L194 HydrophobicContact CE1-CD1 4.42Å; F66-L194 HydrophobicContact CE2-CB 4.14Å; F66-L194 HydrophobicContact CE2-CD1 4.45Å; F66-L194 HydrophobicContact CE2-CD2 4.13Å; F66-L194 HydrophobicContact CE2-CG 4.47Å; F66-L194 HydrophobicContact CG-CB 4.03Å; F66-L194 HydrophobicContact CZ-CB 3.88Å; F66-L194 HydrophobicContact CZ-CD1 3.99Å; F66-L194 HydrophobicContact CZ-CD2 4.45Å; F66-L194 HydrophobicContact CZ-CG 4.31Å
67D98.7Very high98.7Very high83 Ų8339.9 Ų39.944%0.44421%0.213SC..SBendtrans-96.3-24171.7-60.2-75.8000111.9K191 T192D67-K191 HydrophobicContact CB-CB 3.79Å; D67-K191 HydrophobicContact CB-CD 4.29Å; D67-K191 HydrophobicContact CB-CG 3.82Å; D67-K191 VanDerWaalsContact OD2-CA 3.32Å; D67-K191 WeakPolarHBondContact OD2-CA 3.42Å; D67-T192 PolarHBondContact N-O 2.98Å; D67-T192 PolarHBondContact OD2-N 3.3Å
68V98.9Very high98.7Very high11 Ų1137.8 Ų37.87%0.06721%0.208CC..EExtended strand (participates in β ladder)trans-155.3142.5179.4620000111.2Y70 A186 K191 V193 L194V68-Y70 HydrophobicContact CG1-CE2 3.77Å; V68-Y70 HydrophobicContact CG2-CD2 4.48Å; V68-Y70 HydrophobicContact CG2-CE1 4.17Å; V68-Y70 HydrophobicContact CG2-CE2 3.92Å; V68-A186 HydrophobicContact CG1-CB 4.2Å; V68-K191 HydrophobicContact CG1-CD 4.39Å; V68-V193 HydrophobicContact CG1-CB 4.42Å; V68-V193 HydrophobicContact CG1-CG1 4.31Å; V68-V193 HydrophobicContact CG1-CG2 3.79Å; V68-L194 PolarHBondContact O-N 2.92Å
69A98.9Very high98.7Very high0 Ų038.6 Ų38.60%021%0.211CC..EExtended strand (participates in β ladder)trans-116.4137.817200000111.3L85 V93 P94 T95 V96 L194A69-L85 HydrophobicContact CB-CD1 4.1Å; A69-V93 HydrophobicContact CB-CG1 4.28Å; A69-P94 PolarHBondContact N-O 3.15Å; A69-T95 HydrophobicContact CB-CG2 4.43Å; A69-T95 CarbonylContact O-C 3.57Å; A69-T95 VanDerWaalsContact O-CA 3.28Å; A69-T95 WeakPolarHBondContact O-CA 3.36Å; A69-V96 PolarHBondContact O-N 3.14Å; A69-L194 CarbonylContact C-O 3.59Å; A69-L194 WeakPolarHBondContact CA-O 3.4Å; A69-L194 HydrophobicContact CB-CB 4.06Å; A69-L194 HydrophobicContact CB-CD2 4.09Å; A69-L194 HydrophobicContact CB-CG 4.36Å
70Y98.9Very high98.7Very high10 Ų1038.6 Ų38.64%0.03921%0.211CC..EExtended strand (participates in β ladder)trans-116.4136.8173-60.8-77.9000110.1V68 V96 F178 E182 I183 V193 L194 V195 A196V68-Y70 HydrophobicContact CG1-CE2 3.77Å; V68-Y70 HydrophobicContact CG2-CD2 4.48Å; V68-Y70 HydrophobicContact CG2-CE1 4.17Å; V68-Y70 HydrophobicContact CG2-CE2 3.92Å; Y70-V96 WeakPolarHBondContact CA-O 3.31Å; Y70-V96 HydrophobicContact CD1-CB 3.66Å; Y70-V96 HydrophobicContact CD1-CG1 4.1Å; Y70-V96 HydrophobicContact CD1-CG2 4.34Å; Y70-V96 HydrophobicContact CE1-CB 3.84Å; Y70-V96 HydrophobicContact CE1-CG1 4.23Å; Y70-V96 HydrophobicContact CE1-CG2 4.05Å; Y70-F178 AromaticContact CD1-CE1 3.69Å; Y70-F178 HydrophobicContact CD1-CE1 3.69Å; Y70-F178 AromaticContact CD1-CZ 3.64Å; Y70-F178 HydrophobicContact CD1-CZ 3.64Å; Y70-F178 HydrophobicContact CE1-CE1 4.38Å; Y70-F178 HydrophobicContact CE1-CZ 4.14Å; Y70-F178 HydrophobicContact CG-CE1 4.09Å; Y70-F178 HydrophobicContact CG-CZ 4.47Å; Y70-E182 HydrophobicContact CE1-CB 4.02Å; Y70-E182 PolarHBondContact OH-O 3.45Å; Y70-I183 HydrophobicContact CD2-CG1 3.86Å; Y70-I183 HydrophobicContact CE2-CG1 4.01Å; Y70-I183 HydrophobicContact CG-CG1 4.24Å; Y70-V193 HydrophobicContact CD2-CG1 3.5Å; Y70-V193 HydrophobicContact CE2-CG1 3.61Å; Y70-L194 PolarHBondContact N-O 2.98Å; Y70-V195 HydrophobicContact CD2-CG2 4.43Å; Y70-V195 CarbonylContact O-C 3.42Å; Y70-V195 WeakPolarHBondContact O-CA 3.35Å; Y70-A196 PolarHBondContact O-N 3.17Å
71T98.9Very high98.7Very high0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-143.4171.4174.8-169.40000111.8A77 I78 C81 T95 V96 K97 S98 A196T71-A77 PolarHBondContact OG1-O 2.77Å; T71-I78 HydrophobicContact CG2-CG1 4Å; T71-C81 HydrophobicContact CG2-CB 4.43Å; T71-T95 HydrophobicContact CG2-CG2 4.06Å; T71-V96 PolarHBondContact N-O 3.14Å; T71-K97 HydrophobicContact CG2-CG 3.81Å; T71-K97 CarbonylContact O-C 3.55Å; T71-K97 WeakPolarHBondContact O-CA 3.11Å; T71-S98 PolarHBondContact O-N 2.66Å; T71-A196 VanDerWaalsContact CA-O 3.3Å; T71-A196 WeakPolarHBondContact CA-O 3.24Å; T71-A196 VanDerWaalsContact CB-O 3.24Å; T71-A196 WeakPolarHBondContact CB-O 3.3Å; T71-A196 PolarHBondContact OG1-O 3.01Å
72S98.9Very high98.7Very high0 Ų029.5 Ų29.50%017%0.172CC..  trans-75.9-178.1175.280.40000112.4L74 A77 I78 S98 L101 N102 H198S72-L74 VanDerWaalsContact C-N 3.33Å; S72-L74 PolarHBondContact OG-N 3.39Å; S72-A77 WeakPolarHBondContact OG-CB 3.45Å; S72-I78 WeakPolarHBondContact O-CG1 3.42Å; S72-S98 WeakPolarHBondContact CA-O 3.44Å; S72-L101 WeakPolarHBondContact CB-O 3.45Å; S72-N102 WeakPolarHBondContact CB-OD1 3.28Å; S72-H198 VanDerWaalsContact CB-NE2 3.27Å; S72-H198 WeakPolarHBondContact CB-NE2 3.01Å; S72-H198 PolarHBondContact OG-NE2 3.22Å
73V98.7Very high98.8Very high28 Ų2829.6 Ų29.617%0.1716%0.162CC..SBendtrans-93.711.2169.1-60.60000113.5K97 W99 N102 R153 Y154V73-K97 HydrophobicContact CG1-CB 4.28Å; V73-W99 HydrophobicContact CG2-CB 4.12Å; V73-N102 VanDerWaalsContact CG2-OD1 3.32Å; V73-N102 WeakPolarHBondContact CG2-OD1 3.19Å; V73-N102 PolarHBondContact N-OD1 3.39Å; V73-N102 VanDerWaalsContact N-OD1 3.16Å; V73-R153 PolarHBondContact O-NH1 3.19Å; V73-Y154 HydrophobicContact CG2-CE1 3.65Å
74L98.8Very high98.8Very high0 Ų026.8 Ų26.80%013%0.133CC..SBendtrans-98.6131.1-179.9-53.8-179000111.1D41 S72 R76 A77 I78 N102 E103D41-L74 WeakPolarHBondContact OD1-CA 3.38Å; S72-L74 VanDerWaalsContact C-N 3.33Å; S72-L74 PolarHBondContact OG-N 3.39Å; L74-R76 VanDerWaalsContact C-N 3.33Å; L74-R76 VanDerWaalsContact CD1-NH2 3.27Å; L74-R76 PolarHBondContact O-N 3.06Å; L74-A77 PolarHBondContact O-N 3.35Å; L74-I78 WeakPolarHBondContact O-CG1 3.31Å; L74-I78 PolarHBondContact O-N 2.86Å; L74-I78 VanDerWaalsContact O-N 3.12Å; L74-N102 HydrophobicContact CD1-CB 4.17Å; L74-E103 HydrophobicContact CD1-CB 4.43Å
75T98.7Very high98.8Very high41 Ų4126.4 Ų26.425%0.25213%0.131SC..Hα-helixtrans-50-47.7-171.2-67.30000112.6D41 A77 I78 K79D41-T75 VanDerWaalsContact OD1-CB 3.29Å; D41-T75 WeakPolarHBondContact OD1-CB 3.34Å; D41-T75 PolarHBondContact OD1-N 2.99Å; D41-T75 PolarHBondContact OD1-OG1 3.11Å; D41-T75 PolarHBondContact OD2-OG1 3.49Å; T75-A77 VanDerWaalsContact C-N 3.32Å; T75-A77 PolarHBondContact O-N 2.9Å; T75-I78 PolarHBondContact O-N 3.45Å; T75-K79 HydrophobicContact CG2-CD 4.09Å; T75-K79 HydrophobicContact CG2-CG 4.27Å; T75-K79 WeakPolarHBondContact O-CB 3.27Å; T75-K79 WeakPolarHBondContact O-CG 3.24Å; T75-K79 PolarHBondContact O-N 2.85Å
76R98.7Very high98.8Very high2 Ų223.5 Ų23.51%0.00812%0.117CC..Hα-helixtrans-56.5-40.3179.760.5-172.7180-90.32.5114.2H25 G38 A40 L44 L74 T80 H198H25-R76 HydrophobicContact CB-CG 4.45Å; H25-R76 PolarHBondContact NE2-NE 2.9Å; G38-R76 PolarHBondContact O-NH2 3.48Å; A40-R76 PolarHBondContact O-NH1 2.96Å; L44-R76 HydrophobicContact CD2-CB 3.93Å; L44-R76 HydrophobicContact CG-CB 4.15Å; L74-R76 VanDerWaalsContact C-N 3.33Å; L74-R76 VanDerWaalsContact CD1-NH2 3.27Å; L74-R76 PolarHBondContact O-N 3.06Å; R76-T80 PolarHBondContact O-N 2.86Å; R76-T80 VanDerWaalsContact O-N 3.11Å; R76-T80 PolarHBondContact O-OG1 3.22Å; R76-T80 VanDerWaalsContact O-OG1 3.1Å; R76-H198 PolarHBondContact NE-CE1 2.81Å; R76-H198 PolarHBondContact NE-ND1 2.78Å; R76-H198 PolarHBondContact NH2-CE1 2.83Å; R76-H198 PolarHBondContact NH2-ND1 2.92Å
77A98.8Very high98.8Very high0 Ų025.9 Ų25.90%013%0.129CC..Hα-helixtrans-79.4-36.6178.900000111.7H25 T71 S72 L74 T75 T80 C81H25-A77 HydrophobicContact CB-CB 4.33Å; T71-A77 PolarHBondContact OG1-O 2.77Å; S72-A77 WeakPolarHBondContact OG-CB 3.45Å; L74-A77 PolarHBondContact O-N 3.35Å; T75-A77 VanDerWaalsContact C-N 3.32Å; T75-A77 PolarHBondContact O-N 2.9Å; A77-T80 PolarHBondContact O-N 3.37Å; A77-C81 WeakPolarHBondContact O-CB 3.37Å; A77-C81 PolarHBondContact O-N 2.78Å
78I98.9Very high98.8Very high31 Ų3122.3 Ų22.316%0.15911%0.11CC..Hα-helixtrans-60.1-47.5174.4-64.6165.9000110.2T71 S72 L74 T75 C81 N82 K97T71-I78 HydrophobicContact CG2-CG1 4Å; S72-I78 WeakPolarHBondContact O-CG1 3.42Å; L74-I78 WeakPolarHBondContact O-CG1 3.31Å; L74-I78 PolarHBondContact O-N 2.86Å; L74-I78 VanDerWaalsContact O-N 3.12Å; T75-I78 PolarHBondContact O-N 3.45Å; I78-C81 WeakPolarHBondContact O-CB 3.49Å; I78-C81 PolarHBondContact O-N 3.12Å; I78-N82 VanDerWaalsContact O-CG 3.31Å; I78-N82 PolarHBondContact O-N 3.22Å; I78-N82 PolarHBondContact O-OD1 3.07Å; I78-K97 HydrophobicContact CD1-CD 3.99Å; I78-K97 HydrophobicContact CG1-CD 4.21Å
79K98.8Very high98.8Very high68 Ų6826.8 Ų26.830%0.29613%0.134SC..Hα-helixtrans-63.5-44176.8-74.5-171.7178.9-1790111.8D43 L44 T75 C81 N82 Y83D43-K79 VanDerWaalsContact OD1-CD 3.26Å; D43-K79 WeakPolarHBondContact OD1-CD 3.33Å; D43-K79 WeakPolarHBondContact OD1-CE 3.26Å; D43-K79 IonicContact OD1-NZ 3.47Å; D43-K79 PolarHBondContact OD1-NZ 3.05Å; D43-K79 IonicContact OD2-NZ 2.71Å; D43-K79 PolarHBondContact OD2-NZ 3.3Å; L44-K79 HydrophobicContact CD1-CB 3.83Å; T75-K79 HydrophobicContact CG2-CD 4.09Å; T75-K79 HydrophobicContact CG2-CG 4.27Å; T75-K79 WeakPolarHBondContact O-CB 3.27Å; T75-K79 WeakPolarHBondContact O-CG 3.24Å; T75-K79 PolarHBondContact O-N 2.85Å; K79-C81 VanDerWaalsContact C-N 3.31Å; K79-C81 PolarHBondContact O-N 3.08Å; K79-N82 PolarHBondContact O-N 2.88Å; K79-Y83 HydrophobicContact CB-CD2 4.38Å; K79-Y83 HydrophobicContact CB-CE2 4.1Å; K79-Y83 WeakPolarHBondContact O-CD2 3.4Å; K79-Y83 PolarHBondContact O-N 2.83Å
80T98.9Very high98.8Very high0 Ų027.4 Ų27.40%014%0.137CC..Hα-helixtrans-57.4-45.4174.2-66.60000111.7H25 G26 A52 R76 A77 N82 Y83 I84H25-T80 WeakPolarHBondContact CA-OG1 3.47Å; G26-T80 PolarHBondContact N-OG1 3.09Å; A52-T80 HydrophobicContact CB-CG2 3.81Å; R76-T80 PolarHBondContact O-N 2.86Å; R76-T80 VanDerWaalsContact O-N 3.11Å; R76-T80 PolarHBondContact O-OG1 3.22Å; R76-T80 VanDerWaalsContact O-OG1 3.1Å; A77-T80 PolarHBondContact O-N 3.37Å; T80-N82 VanDerWaalsContact C-N 3.33Å; T80-N82 PolarHBondContact O-N 3.36Å; T80-Y83 PolarHBondContact O-N 3.32Å; T80-I84 HydrophobicContact CG2-CD1 3.69Å; T80-I84 HydrophobicContact CG2-CG1 4.32Å; T80-I84 VanDerWaalsContact O-CG1 3.31Å; T80-I84 WeakPolarHBondContact O-CG1 3.4Å; T80-I84 PolarHBondContact O-N 2.93Å
81C98.9Very high98.8Very high0 Ų031.6 Ų31.60%016%0.159CC..Hα-helixtrans-55.8-49.1175.6-165.40000111.4T71 A77 I78 K79 I84 L85 A196T71-C81 HydrophobicContact CG2-CB 4.43Å; A77-C81 WeakPolarHBondContact O-CB 3.37Å; A77-C81 PolarHBondContact O-N 2.78Å; I78-C81 WeakPolarHBondContact O-CB 3.49Å; I78-C81 PolarHBondContact O-N 3.12Å; K79-C81 VanDerWaalsContact C-N 3.31Å; K79-C81 PolarHBondContact O-N 3.08Å; C81-I84 PolarHBondContact O-N 2.9Å; C81-L85 WeakPolarHBondContact O-CG 3.48Å; C81-L85 PolarHBondContact O-N 3.04Å; C81-A196 HydrophobicContact CB-CB 3.62Å
82N98.9Very high98.8Very high66 Ų6640.7 Ų40.735%0.35319%0.193SC..Hα-helixtrans-63.1-44.1-179.7-68.2-4.6000112.1I78 K79 T80 I84 L85 E86I78-N82 VanDerWaalsContact O-CG 3.31Å; I78-N82 PolarHBondContact O-N 3.22Å; I78-N82 PolarHBondContact O-OD1 3.07Å; K79-N82 PolarHBondContact O-N 2.88Å; T80-N82 VanDerWaalsContact C-N 3.33Å; T80-N82 PolarHBondContact O-N 3.36Å; N82-I84 PolarHBondContact O-N 3.34Å; N82-L85 PolarHBondContact O-N 2.92Å; N82-E86 VanDerWaalsContact O-CB 3.27Å; N82-E86 WeakPolarHBondContact O-CB 3.46Å; N82-E86 PolarHBondContact O-N 3.34Å
83Y98.9Very high98.8Very high53 Ų5340.9 Ų40.921%0.20820%0.195CC..Hα-helixtrans-64.9-38.1177.7-71-52.4000112.4L44 V49 A52 K53 K79 T80 E86 E87L44-Y83 HydrophobicContact CD1-CD2 4.33Å; L44-Y83 HydrophobicContact CD1-CE2 4.2Å; V49-Y83 HydrophobicContact CB-CE2 4.26Å; V49-Y83 HydrophobicContact CG1-CD2 4.32Å; V49-Y83 HydrophobicContact CG1-CE1 4.24Å; V49-Y83 HydrophobicContact CG1-CE2 3.69Å; V49-Y83 HydrophobicContact CG2-CE2 4.01Å; A52-Y83 HydrophobicContact CB-CD2 4.01Å; A52-Y83 HydrophobicContact CB-CG 4.4Å; K53-Y83 HydrophobicContact CG-CD1 4.06Å; K53-Y83 HydrophobicContact CG-CG 4.16Å; K79-Y83 HydrophobicContact CB-CD2 4.38Å; K79-Y83 HydrophobicContact CB-CE2 4.1Å; K79-Y83 WeakPolarHBondContact O-CD2 3.4Å; K79-Y83 PolarHBondContact O-N 2.83Å; T80-Y83 PolarHBondContact O-N 3.32Å; Y83-E86 PolarHBondContact O-N 2.89Å; Y83-E87 WeakPolarHBondContact O-CB 3.29Å; Y83-E87 VanDerWaalsContact O-CG 3.29Å; Y83-E87 WeakPolarHBondContact O-CG 3.39Å; Y83-E87 PolarHBondContact O-N 2.96Å
84I98.9Very high98.8Very high1 Ų143.2 Ų43.21%0.00521%0.211CC..Hα-helixtrans-61.7-47.3174.9-71.4168.6000110.2S23 A52 G56 I59 F66 T80 C81 N82 S88 L194S23-I84 VanDerWaalsContact OG-CD1 3.28Å; S23-I84 WeakPolarHBondContact OG-CD1 3.26Å; A52-I84 WeakPolarHBondContact O-CG1 3.21Å; G56-I84 WeakPolarHBondContact CA-O 3.45Å; I59-I84 HydrophobicContact CG1-CG2 4.34Å; F66-I84 HydrophobicContact CE2-CG2 4.31Å; T80-I84 HydrophobicContact CG2-CD1 3.69Å; T80-I84 HydrophobicContact CG2-CG1 4.32Å; T80-I84 VanDerWaalsContact O-CG1 3.31Å; T80-I84 WeakPolarHBondContact O-CG1 3.4Å; T80-I84 PolarHBondContact O-N 2.93Å; C81-I84 PolarHBondContact O-N 2.9Å; N82-I84 PolarHBondContact O-N 3.34Å; I84-S88 VanDerWaalsContact O-CB 3.31Å; I84-S88 WeakPolarHBondContact O-CB 3.4Å; I84-S88 PolarHBondContact O-N 3.33Å; I84-S88 VanDerWaalsContact O-N 3.16Å; I84-S88 PolarHBondContact O-OG 3.42Å; I84-L194 HydrophobicContact CB-CD2 4.5Å; I84-L194 HydrophobicContact CG2-CD2 3.93Å
85L98.9Very high98.8Very high1 Ų145.2 Ų45.21%0.00522%0.223CC..Hα-helixtrans-68.7-34.8179-66.8175.7000112.2F66 A69 C81 N82 S88 D89 Q90 L91 V93 L194F66-L85 HydrophobicContact CD2-CD2 3.97Å; A69-L85 HydrophobicContact CB-CD1 4.1Å; C81-L85 WeakPolarHBondContact O-CG 3.48Å; C81-L85 PolarHBondContact O-N 3.04Å; N82-L85 PolarHBondContact O-N 2.92Å; L85-S88 PolarHBondContact O-OG 2.84Å; L85-D89 PolarHBondContact O-N 3.3Å; L85-Q90 HydrophobicContact CD2-CB 3.97Å; L85-Q90 CarbonylContact O-C 3.54Å; L85-Q90 WeakPolarHBondContact O-CA 3.27Å; L85-Q90 PolarHBondContact O-N 2.98Å; L85-L91 HydrophobicContact CB-CD2 4.25Å; L85-L91 PolarHBondContact O-N 3.26Å; L85-V93 HydrophobicContact CD1-CB 4.43Å; L85-V93 HydrophobicContact CD2-CB 4.06Å; L85-V93 HydrophobicContact CD2-CG1 4.37Å; L85-V93 HydrophobicContact CD2-CG2 4.35Å; L85-L194 HydrophobicContact CD2-CD2 4.17Å; L85-L194 HydrophobicContact CG-CD2 4.34Å
86E98.8Very high98.8Very high97 Ų9745.9 Ų45.945%0.45323%0.226SC..Hα-helixtrans-65.9-53.3176-175.5166.6-152.800112.1N82 Y83 S88 D89 L91N82-E86 VanDerWaalsContact O-CB 3.27Å; N82-E86 WeakPolarHBondContact O-CB 3.46Å; N82-E86 PolarHBondContact O-N 3.34Å; Y83-E86 PolarHBondContact O-N 2.89Å; E86-S88 PolarHBondContact O-N 3.43Å; E86-D89 PolarHBondContact O-N 3.2Å; E86-D89 VanDerWaalsContact O-N 3.09Å; E86-L91 HydrophobicContact CB-CD1 3.85Å; E86-L91 HydrophobicContact CB-CD2 4.03Å; E86-L91 HydrophobicContact CB-CG 3.9Å; E86-L91 HydrophobicContact CG-CD1 3.84Å; E86-L91 HydrophobicContact CG-CG 4.44Å
87E98.8Very high98.8Very high52 Ų5250.8 Ų50.824%0.24325%0.248CC..Hα-helixtrans-72.6-15.2-176.1-62.3-83.4153.900112.7K53 R57 K60 Y83K53-E87 HydrophobicContact CB-CG 3.78Å; K53-E87 HydrophobicContact CG-CG 3.9Å; R57-E87 HydrophobicContact CG-CB 4.22Å; R57-E87 WeakPolarHBondContact CG-OE2 3.49Å; R57-E87 IonicContact CZ-OE2 3.27Å; R57-E87 IonicContact NH1-OE2 2.78Å; R57-E87 PolarHBondContact NH1-OE2 3.11Å; K60-E87 WeakPolarHBondContact CD-O 3.31Å; Y83-E87 WeakPolarHBondContact O-CB 3.29Å; Y83-E87 VanDerWaalsContact O-CG 3.29Å; Y83-E87 WeakPolarHBondContact O-CG 3.39Å; Y83-E87 PolarHBondContact O-N 2.96Å
88S98.8Very high98.8Very high8 Ų851.5 Ų51.56%0.05625%0.253CS..THydrogen-bonded Turntrans-96.75.717264.50000115I84 L85 E86 Q90I84-S88 VanDerWaalsContact O-CB 3.31Å; I84-S88 WeakPolarHBondContact O-CB 3.4Å; I84-S88 PolarHBondContact O-N 3.33Å; I84-S88 VanDerWaalsContact O-N 3.16Å; I84-S88 PolarHBondContact O-OG 3.42Å; L85-S88 PolarHBondContact O-OG 2.84Å; E86-S88 PolarHBondContact O-N 3.43Å; S88-Q90 VanDerWaalsContact C-N 3.35Å; S88-Q90 WeakPolarHBondContact O-CG 3.39Å; S88-Q90 PolarHBondContact OG-NE2 2.95Å; S88-Q90 VanDerWaalsContact OG-NE2 3.17Å
89D98.8Very high98.8Very high105 Ų10551.8 Ų51.856%0.56125%0.252SS*.THydrogen-bonded Turntrans62.931.7-177.5-54.3-14.3000114.8K60 L85 E86 W92K60-D89 WeakPolarHBondContact CE-OD2 3.39Å; K60-D89 IonicContact NZ-OD1 2.83Å; K60-D89 PolarHBondContact NZ-OD1 3.49Å; K60-D89 IonicContact NZ-OD2 3.97Å; K60-D89 PolarHBondContact NZ-OD2 2.96Å; L85-D89 PolarHBondContact O-N 3.3Å; E86-D89 PolarHBondContact O-N 3.2Å; E86-D89 VanDerWaalsContact O-N 3.09Å; D89-W92 PolarHBondContact O-NE1 3.02Å
90Q98.8Very high98.8Very high13 Ų1351.9 Ų51.96%0.06125%0.251CS..  trans-123.922-170.9-67.4-176.881.800114.2I64 E65 L85 S88 W92 V93I64-Q90 PolarHBondContact O-NE2 3.25Å; E65-Q90 VanDerWaalsContact CA-OE1 3.27Å; L85-Q90 HydrophobicContact CD2-CB 3.97Å; L85-Q90 CarbonylContact O-C 3.54Å; L85-Q90 WeakPolarHBondContact O-CA 3.27Å; L85-Q90 PolarHBondContact O-N 2.98Å; S88-Q90 VanDerWaalsContact C-N 3.35Å; S88-Q90 WeakPolarHBondContact O-CG 3.39Å; S88-Q90 PolarHBondContact OG-NE2 2.95Å; S88-Q90 VanDerWaalsContact OG-NE2 3.17Å; Q90-W92 PolarHBondContact O-N 3.48Å; Q90-V93 HydrophobicContact CB-CG2 3.88Å; Q90-V93 VanDerWaalsContact O-CB 3.32Å; Q90-V93 WeakPolarHBondContact O-CB 3.4Å; Q90-V93 VanDerWaalsContact O-CG2 3.25Å; Q90-V93 WeakPolarHBondContact O-CG2 3.38Å; Q90-V93 PolarHBondContact O-N 2.9Å
91L98.7Very high98.8Very high97 Ų9751.9 Ų51.951%0.50825%0.251SS..THydrogen-bonded Turntrans-56.6-18.7-179.6-85170.9000115.4L85 E86 V93L85-L91 HydrophobicContact CB-CD2 4.25Å; L85-L91 PolarHBondContact O-N 3.26Å; E86-L91 HydrophobicContact CB-CD1 3.85Å; E86-L91 HydrophobicContact CB-CD2 4.03Å; E86-L91 HydrophobicContact CB-CG 3.9Å; E86-L91 HydrophobicContact CG-CD1 3.84Å; E86-L91 HydrophobicContact CG-CG 4.44Å; L91-V93 VanDerWaalsContact C-N 3.29Å
92W98.7Very high98.8Very high191 Ų19151.9 Ų51.972%0.72325%0.251SS*.THydrogen-bonded Turntrans-79.4-11177.755.8-92.7000113.3D89 Q90D89-W92 PolarHBondContact O-NE1 3.02Å; Q90-W92 PolarHBondContact O-N 3.48Å
93V98.9Very high98.8Very high4 Ų449.6 Ų49.62%0.02424%0.238CC..SBendtrans-60.2127.9179.2170.40000110.3F66 A69 L85 Q90 L91 T95F66-V93 HydrophobicContact CB-CG1 4.14Å; F66-V93 HydrophobicContact CB-CG2 4.27Å; F66-V93 WeakPolarHBondContact O-CG2 3.49Å; A69-V93 HydrophobicContact CB-CG1 4.28Å; L85-V93 HydrophobicContact CD1-CB 4.43Å; L85-V93 HydrophobicContact CD2-CB 4.06Å; L85-V93 HydrophobicContact CD2-CG1 4.37Å; L85-V93 HydrophobicContact CD2-CG2 4.35Å; Q90-V93 HydrophobicContact CB-CG2 3.88Å; Q90-V93 VanDerWaalsContact O-CB 3.32Å; Q90-V93 WeakPolarHBondContact O-CB 3.4Å; Q90-V93 VanDerWaalsContact O-CG2 3.25Å; Q90-V93 WeakPolarHBondContact O-CG2 3.38Å; Q90-V93 PolarHBondContact O-N 2.9Å; L91-V93 VanDerWaalsContact C-N 3.29Å; V93-T95 PolarHBondContact O-N 3.43Å; V93-T95 PolarHBondContact O-OG1 3.1Å
94P98.8Very high98.7Very high78 Ų7847.1 Ų47.151%0.50623%0.228SC..  trans-53.9127.3176.3-26.134.2000111.6A69A69-P94 PolarHBondContact N-O 3.15Å
95T98.8Very high98.7Very high42 Ų4247.1 Ų47.126%0.25823%0.228SC..EExtended strand (participates in β ladder)trans-118.3117.4-178.3-59.40000111.3A69 T71 V93A69-T95 HydrophobicContact CB-CG2 4.43Å; A69-T95 CarbonylContact O-C 3.57Å; A69-T95 VanDerWaalsContact O-CA 3.28Å; A69-T95 WeakPolarHBondContact O-CA 3.36Å; T71-T95 HydrophobicContact CG2-CG2 4.06Å; V93-T95 PolarHBondContact O-N 3.43Å; V93-T95 PolarHBondContact O-OG1 3.1Å
96V98.8Very high98.6Very high54 Ų5448.1 Ų48.133%0.32723%0.232SC..EExtended strand (participates in β ladder)trans-101.4133.2178179.30000110A69 Y70 T71 F178A69-V96 PolarHBondContact O-N 3.14Å; Y70-V96 WeakPolarHBondContact CA-O 3.31Å; Y70-V96 HydrophobicContact CD1-CB 3.66Å; Y70-V96 HydrophobicContact CD1-CG1 4.1Å; Y70-V96 HydrophobicContact CD1-CG2 4.34Å; Y70-V96 HydrophobicContact CE1-CB 3.84Å; Y70-V96 HydrophobicContact CE1-CG1 4.23Å; Y70-V96 HydrophobicContact CE1-CG2 4.05Å; T71-V96 PolarHBondContact N-O 3.14Å; V96-F178 HydrophobicContact CG1-CZ 4.19Å
97K98.8Very high98.5Very high105 Ų10543.5 Ų43.546%0.45721%0.21SC..EExtended strand (participates in β ladder)trans-110.5131.4-179.6-57.5-177.6178.3630109.9T71 V73 I78T71-K97 HydrophobicContact CG2-CG 3.81Å; T71-K97 CarbonylContact O-C 3.55Å; T71-K97 WeakPolarHBondContact O-CA 3.11Å; V73-K97 HydrophobicContact CG1-CB 4.28Å; I78-K97 HydrophobicContact CD1-CD 3.99Å; I78-K97 HydrophobicContact CG1-CD 4.21Å
98S98.6Very high98.4Very high16 Ų1645.7 Ų45.711%0.11222%0.219CC..  trans-143.5133-179.8-176.90000112.4T71 S72 R100 L101 F178T71-S98 PolarHBondContact O-N 2.66Å; S72-S98 WeakPolarHBondContact CA-O 3.44Å; S98-R100 PolarHBondContact O-N 3.04Å; S98-R100 PolarHBondContact OG-N 3.21Å; S98-L101 PolarHBondContact O-N 3.34Å; S98-F178 WeakPolarHBondContact OG-CD2 3.48Å; S98-F178 WeakPolarHBondContact OG-CE2 3.39Å
99W98.5Very high98.3Very high36 Ų3645.4 Ų45.414%0.13622%0.217CC..G310 helixtrans-61.9-23.9173.673.2-90.7000112.3W39 V73 L101 N102 Y154 L157 D161 R174W39-W99 HydrophobicContact CH2-CD2 4.43Å; W39-W99 AromaticContact CH2-CE3 3.53Å; W39-W99 HydrophobicContact CH2-CE3 3.53Å; W39-W99 HydrophobicContact CH2-CZ3 4.06Å; W39-W99 AromaticContact CZ2-CE3 3.91Å; W39-W99 HydrophobicContact CZ2-CE3 3.91Å; W39-W99 HydrophobicContact CZ2-CZ3 4.36Å; V73-W99 HydrophobicContact CG2-CB 4.12Å; W99-L101 PolarHBondContact O-N 2.9Å; W99-L101 VanDerWaalsContact O-N 3.11Å; W99-N102 WeakPolarHBondContact O-CB 3.49Å; W99-N102 VanDerWaalsContact O-CG 3.29Å; W99-N102 PolarHBondContact O-N 3.06Å; W99-Y154 HydrophobicContact CB-CD1 4.23Å; W99-Y154 HydrophobicContact CB-CE1 4.03Å; W99-L157 HydrophobicContact CD2-CD1 3.76Å; W99-L157 HydrophobicContact CE3-CD1 4.41Å; W99-L157 HydrophobicContact CG-CD1 3.81Å; W99-L157 HydrophobicContact CG-CD2 4.46Å; W99-L157 HydrophobicContact CZ2-CD1 4.26Å; W99-L157 HydrophobicContact CZ2-CD2 4.43Å; W99-D161 HydrophobicContact CH2-CB 4.34Å; W99-R174 HydrophobicContact CH2-CB 4.16Å; W99-R174 HydrophobicContact CZ3-CB 4.12Å; W99-R174 HydrophobicContact CZ3-CG 4.38Å; W99-R174 PolarHBondContact O-NH1 3.12Å
100R98.5Very high98.3Very high70 Ų7041.8 Ų41.826%0.26420%0.197SC..G310 helixtrans-62.2-17.6175-68.2-176.7173.9-82.8-0.1112.7S98 R174 F178S98-R100 PolarHBondContact O-N 3.04Å; S98-R100 PolarHBondContact OG-N 3.21Å; R100-R174 VanDerWaalsContact C-NH1 3.29Å; R100-R174 WeakPolarHBondContact CB-O 3.18Å; R100-R174 VanDerWaalsContact CD-O 3.3Å; R100-R174 WeakPolarHBondContact CD-O 3.41Å; R100-R174 WeakPolarHBondContact CG-O 3.29Å; R100-R174 PolarHBondContact NH1-O 2.83Å; R100-R174 PolarHBondContact O-NH1 3.16Å; R100-F178 HydrophobicContact CB-CB 3.86Å; R100-F178 HydrophobicContact CB-CG 4.25Å; R100-F178 HydrophobicContact CG-CB 4.5Å
101L98.8Very high98.1Very high0 Ų042.3 Ų42.30%021%0.206CC..G310 helixtrans-98.77.2172.3-66.7179000114S72 S98 W99 F178 V195 A197 H198 S201 L205S72-L101 WeakPolarHBondContact CB-O 3.45Å; S98-L101 PolarHBondContact O-N 3.34Å; W99-L101 PolarHBondContact O-N 2.9Å; W99-L101 VanDerWaalsContact O-N 3.11Å; L101-F178 HydrophobicContact CD1-CD1 3.97Å; L101-F178 HydrophobicContact CD1-CE1 3.61Å; L101-F178 HydrophobicContact CD2-CD1 4.12Å; L101-F178 HydrophobicContact CG-CD1 3.84Å; L101-F178 HydrophobicContact CG-CE1 3.99Å; L101-V195 HydrophobicContact CD1-CG1 4.03Å; L101-V195 HydrophobicContact CD2-CG1 4.23Å; L101-A197 HydrophobicContact CB-CB 4.42Å; L101-H198 PolarHBondContact O-CD2 2.88Å; L101-H198 VanDerWaalsContact O-CD2 3.23Å; L101-S201 PolarHBondContact O-OG 2.66Å; L101-L205 HydrophobicContact CD2-CD1 3.94Å
102N98.8Very high98Very high0 Ų041.1 Ų41.10%020%0.2CC..SBendtrans-61.7158.7175-76.2-0.1000112W39 S72 V73 L74 W99 Y154 R174 S201W39-N102 HydrophobicContact CD2-CB 4.24Å; W39-N102 HydrophobicContact CG-CB 4.49Å; W39-N102 HydrophobicContact CZ2-CB 3.96Å; S72-N102 WeakPolarHBondContact CB-OD1 3.28Å; V73-N102 VanDerWaalsContact CG2-OD1 3.32Å; V73-N102 WeakPolarHBondContact CG2-OD1 3.19Å; V73-N102 PolarHBondContact N-OD1 3.39Å; V73-N102 VanDerWaalsContact N-OD1 3.16Å; L74-N102 HydrophobicContact CD1-CB 4.17Å; W99-N102 WeakPolarHBondContact O-CB 3.49Å; W99-N102 VanDerWaalsContact O-CG 3.29Å; W99-N102 PolarHBondContact O-N 3.06Å; N102-Y154 PolarHBondContact ND2-OH 3.33Å; N102-R174 PolarHBondContact O-NH1 3.35Å; N102-R174 PolarHBondContact O-NH2 3.02Å; N102-S201 WeakPolarHBondContact O-CB 3.41Å
103E98.4Very high97.9Very high18 Ų1833.8 Ų33.88%0.08417%0.174CC..PPolyproline II helixtrans-56.1159.5168.5-174.554-68.600111.5W39 L74 H105 R174 H198 N200W39-E103 PolarHBondContact NE1-O 2.6Å; L74-E103 HydrophobicContact CD1-CB 4.43Å; E103-H105 PolarHBondContact O-N 2.98Å; E103-R174 PolarHBondContact O-NH2 2.79Å; E103-H198 HydrophobicContact CB-CB 3.67Å; E103-H198 HydrophobicContact CG-CB 4.15Å; E103-H198 PolarHBondContact N-CD2 2.86Å; E103-H198 VanDerWaalsContact N-CD2 3.26Å; E103-N200 WeakPolarHBondContact OE1-CB 3.29Å; E103-N200 PolarHBondContact OE1-N 3.05Å; E103-N200 PolarHBondContact OE1-ND2 3.15Å
104R98Very high97.6Very high1 Ų135.1 Ų35.10%0.00418%0.18CC..PPolyproline II helixtrans-57127.1168.6-178177.465.4-168.9-9.1111.1G38 Y106 W129 R130 E166 N167 N200G38-R104 VanDerWaalsContact CA-O 3.24Å; G38-R104 WeakPolarHBondContact CA-O 3.25Å; R104-Y106 VanDerWaalsContact NH2-CE1 3.33Å; R104-Y106 VanDerWaalsContact NH2-CZ 3.29Å; R104-Y106 PolarHBondContact NH2-OH 3.26Å; R104-Y106 WeakPolarHBondContact O-CD2 3.32Å; R104-Y106 PolarHBondContact O-N 3.47Å; R104-W129 PolarHBondContact NH1-O 2.76Å; R104-W129 PolarHBondContact NH2-O 2.56Å; R104-R130 PolarHBondContact NH1-O 2.93Å; R104-R130 VanDerWaalsContact NH2-C 3.35Å; R104-R130 PolarHBondContact NH2-O 3.42Å; R104-E166 WeakPolarHBondContact CA-OE2 3.42Å; R104-E166 WeakPolarHBondContact CD-O 3.46Å; R104-E166 HydrophobicContact CG-CB 3.63Å; R104-E166 VanDerWaalsContact CG-O 3.23Å; R104-E166 WeakPolarHBondContact CG-O 3.41Å; R104-N167 VanDerWaalsContact CD-C 3.43Å; R104-N200 HydrophobicContact CB-CB 3.71Å
105H98.2Very high97.4Very high1 Ų137.9 Ų37.91%0.00518%0.184CC..PPolyproline II helixtrans-66.4120.3174.9-162.4-84.7000110.6W39 E103 G107 Q110 P163 G164 G165 E166W39-H105 AromaticContact CD1-CD2 3.88Å; W39-H105 AromaticContact CD2-CD2 3.88Å; W39-H105 HydrophobicContact CG-CB 4.41Å; W39-H105 AromaticContact CG-CD2 3.52Å; E103-H105 PolarHBondContact O-N 2.98Å; H105-G107 VanDerWaalsContact C-N 3.27Å; H105-G107 WeakPolarHBondContact ND1-CA 3.38Å; H105-G107 PolarHBondContact ND1-N 3.47Å; H105-G107 PolarHBondContact O-N 3.38Å; H105-Q110 PolarHBondContact CD2-OE1 3.45Å; H105-Q110 PolarHBondContact NE2-NE2 2.74Å; H105-Q110 PolarHBondContact NE2-OE1 3.33Å; H105-P163 HydrophobicContact CB-CB 4.17Å; H105-P163 HydrophobicContact CB-CG 3.88Å; H105-G164 PolarHBondContact ND1-O 3.46Å; H105-G165 PolarHBondContact ND1-N 3.32Å; H105-E166 HydrophobicContact CB-CB 4.14Å; H105-E166 HydrophobicContact CB-CG 3.76Å; H105-E166 PolarHBondContact N-OE2 3.43Å; H105-E166 PolarHBondContact O-N 2.94Å
106Y97.4Very high97.2Very high23 Ų2341.8 Ų41.89%0.0920%0.199CC..  trans-87.86.1-177.6-85.5-75.7000113.6F36 R104 K108 L109 R130 P137F36-Y106 HydrophobicContact CB-CD2 4.49Å; F36-Y106 HydrophobicContact CB-CG 4.22Å; F36-Y106 AromaticContact CD1-CD1 3.6Å; F36-Y106 HydrophobicContact CD1-CD1 3.6Å; F36-Y106 HydrophobicContact CD1-CD2 4.47Å; F36-Y106 AromaticContact CD1-CE1 3.66Å; F36-Y106 HydrophobicContact CD1-CE1 3.66Å; F36-Y106 HydrophobicContact CD1-CG 4.01Å; F36-Y106 HydrophobicContact CE1-CD1 4.15Å; F36-Y106 AromaticContact CE1-CE1 3.99Å; F36-Y106 HydrophobicContact CE1-CE1 3.99Å; F36-Y106 HydrophobicContact CG-CD1 4.45Å; R104-Y106 VanDerWaalsContact NH2-CE1 3.33Å; R104-Y106 VanDerWaalsContact NH2-CZ 3.29Å; R104-Y106 PolarHBondContact NH2-OH 3.26Å; R104-Y106 WeakPolarHBondContact O-CD2 3.32Å; R104-Y106 PolarHBondContact O-N 3.47Å; Y106-K108 PolarHBondContact O-N 2.9Å; Y106-L109 VanDerWaalsContact O-CB 3.29Å; Y106-L109 WeakPolarHBondContact O-CB 3.28Å; Y106-L109 PolarHBondContact O-N 3.23Å; Y106-L109 VanDerWaalsContact O-N 3.08Å; Y106-R130 HydrophobicContact CE1-CG 4.45Å; Y106-P137 WeakPolarHBondContact O-CB 3.28Å
107G97.2Very high97.1Very high0 Ų039.5 Ų39.50%019%0.185CC..G310 helixtrans56.7-135.2179.200000112.3H105 L109 Q110 G164H105-G107 VanDerWaalsContact C-N 3.27Å; H105-G107 WeakPolarHBondContact ND1-CA 3.38Å; H105-G107 PolarHBondContact ND1-N 3.47Å; H105-G107 PolarHBondContact O-N 3.38Å; G107-L109 PolarHBondContact O-N 3.13Å; G107-L109 VanDerWaalsContact O-N 3.07Å; G107-Q110 WeakPolarHBondContact O-CB 3.28Å; G107-Q110 VanDerWaalsContact O-CG 3.32Å; G107-Q110 WeakPolarHBondContact O-CG 3.27Å; G107-Q110 PolarHBondContact O-N 2.9Å; G107-Q110 VanDerWaalsContact O-N 3.09Å; G107-G164 WeakPolarHBondContact CA-O 3.46Å
108K96.7Very high96.9Very high97 Ų9735 Ų3542%0.42217%0.168SC..G310 helixtrans-66.8-6.4178.8-70.8-179.9171164.10114.1Y106 Q110 P138 L139 M140 D144Y106-K108 PolarHBondContact O-N 2.9Å; K108-Q110 VanDerWaalsContact C-N 3.32Å; K108-P138 HydrophobicContact CB-CB 4.27Å; K108-P138 PolarHBondContact N-O 2.7Å; K108-L139 WeakPolarHBondContact CD-O 3.38Å; K108-L139 WeakPolarHBondContact CE-O 3.28Å; K108-L139 WeakPolarHBondContact CG-O 3.14Å; K108-L139 PolarHBondContact NZ-O 2.79Å; K108-M140 HydrophobicContact CG-CB 4.3Å; K108-D144 WeakPolarHBondContact CE-OD2 3.5Å; K108-D144 IonicContact NZ-OD2 3.8Å
109L96.5Very high96.7Very high2 Ų240.8 Ų40.81%0.0119%0.193CC..G310 helixtrans-78.2-19.7173-51.8179.6000112.1F36 Y106 G107 G111 L112 T117 W129 P137 P138F36-L109 HydrophobicContact CB-CB 4.28Å; F36-L109 VanDerWaalsContact CB-O 3.31Å; F36-L109 WeakPolarHBondContact CB-O 3.38Å; F36-L109 HydrophobicContact CD1-CB 4.48Å; F36-L109 HydrophobicContact CD2-CB 3.96Å; F36-L109 HydrophobicContact CE1-CD1 4.37Å; F36-L109 HydrophobicContact CE2-CB 4.36Å; F36-L109 HydrophobicContact CG-CB 4.02Å; F36-L109 HydrophobicContact CZ-CD1 4.33Å; Y106-L109 VanDerWaalsContact O-CB 3.29Å; Y106-L109 WeakPolarHBondContact O-CB 3.28Å; Y106-L109 PolarHBondContact O-N 3.23Å; Y106-L109 VanDerWaalsContact O-N 3.08Å; G107-L109 PolarHBondContact O-N 3.13Å; G107-L109 VanDerWaalsContact O-N 3.07Å; L109-G111 PolarHBondContact O-N 2.71Å; L109-L112 HydrophobicContact CD2-CD1 4.31Å; L109-L112 VanDerWaalsContact O-CB 3.3Å; L109-L112 WeakPolarHBondContact O-CB 3.37Å; L109-L112 WeakPolarHBondContact O-CG 3.45Å; L109-L112 PolarHBondContact O-N 2.83Å; L109-T117 HydrophobicContact CD2-CG2 4.05Å; L109-W129 HydrophobicContact CD1-CB 4.25Å; L109-W129 HydrophobicContact CD1-CD2 4.12Å; L109-W129 HydrophobicContact CD1-CE3 3.75Å; L109-W129 HydrophobicContact CD1-CG 4.37Å; L109-W129 HydrophobicContact CD1-CZ3 4.43Å; L109-W129 HydrophobicContact CD2-CE3 4.3Å; L109-W129 HydrophobicContact CD2-CZ3 4.16Å; L109-P137 HydrophobicContact CD1-CB 3.8Å; L109-P137 HydrophobicContact CG-CB 4.17Å; L109-P138 HydrophobicContact CD2-CG 4.45Å
110Q97.3Very high96.6Very high29 Ų2946.2 Ų46.214%0.13622%0.218CC..THydrogen-bonded Turntrans-55.5129-179.1-65.5-176161.700110.9F36 T37 H105 G107 K108 L112F36-Q110 CarbonylContact O-C 3.59Å; F36-Q110 WeakPolarHBondContact O-CA 3.28Å; T37-Q110 WeakPolarHBondContact O-CG 3.47Å; T37-Q110 PolarHBondContact O-OE1 2.99Å; H105-Q110 PolarHBondContact CD2-OE1 3.45Å; H105-Q110 PolarHBondContact NE2-NE2 2.74Å; H105-Q110 PolarHBondContact NE2-OE1 3.33Å; G107-Q110 WeakPolarHBondContact O-CB 3.28Å; G107-Q110 VanDerWaalsContact O-CG 3.32Å; G107-Q110 WeakPolarHBondContact O-CG 3.27Å; G107-Q110 PolarHBondContact O-N 2.9Å; G107-Q110 VanDerWaalsContact O-N 3.09Å; K108-Q110 VanDerWaalsContact C-N 3.32Å; Q110-L112 VanDerWaalsContact C-N 3.3Å; Q110-L112 PolarHBondContact O-N 3.36Å
111G95.7Very high96.3Very high25 Ų2547.5 Ų47.526%0.25822%0.223SC..THydrogen-bonded Turntrans89.3-20.3-176.900000114.6W30 Q35 F36 L109W30-G111 VanDerWaalsContact CH2-CA 3.49Å; Q35-G111 PolarHBondContact NE2-O 3.47Å; F36-G111 PolarHBondContact O-N 3.38Å; L109-G111 PolarHBondContact O-N 2.71Å
112L96.1Very high96.2Very high72 Ų7249.1 Ų49.138%0.37724%0.24SC..SBendtrans-73.9144.3-179.9-54.5-174.4000111.4Q35 F36 L109 Q110 T117Q35-L112 CarbonylContact C-O 3.59Å; Q35-L112 VanDerWaalsContact CA-O 3.27Å; Q35-L112 WeakPolarHBondContact CA-O 3.3Å; F36-L112 HydrophobicContact CD2-CB 4.39Å; F36-L112 WeakPolarHBondContact CD2-O 3.38Å; F36-L112 PolarHBondContact N-O 2.83Å; L109-L112 HydrophobicContact CD2-CD1 4.31Å; L109-L112 VanDerWaalsContact O-CB 3.3Å; L109-L112 WeakPolarHBondContact O-CB 3.37Å; L109-L112 WeakPolarHBondContact O-CG 3.45Å; L109-L112 PolarHBondContact O-N 2.83Å; Q110-L112 VanDerWaalsContact C-N 3.3Å; Q110-L112 PolarHBondContact O-N 3.36Å; L112-T117 WeakPolarHBondContact CB-OG1 3.39Å
113N96.6Very high95.9Very high36 Ų3655.1 Ų55.119%0.19327%0.272CS..BIsolated β-bridgetrans-70.1132.6170.7-170.9-73.7000109.8L33 K115 E116 T117L33-N113 PolarHBondContact O-ND2 3.49Å; L33-N113 VanDerWaalsContact O-ND2 3.15Å; N113-K115 VanDerWaalsContact C-N 3.3Å; N113-K115 PolarHBondContact O-N 2.85Å; N113-K115 VanDerWaalsContact OD1-CB 3.28Å; N113-K115 WeakPolarHBondContact OD1-CB 3.34Å; N113-K115 PolarHBondContact OD1-N 3.1Å; N113-E116 HydrophobicContact CB-CB 4.14Å; N113-E116 HydrophobicContact CB-CG 3.95Å; N113-E116 WeakPolarHBondContact CB-OE2 3.47Å; N113-E116 PolarHBondContact O-N 2.87Å; N113-T117 WeakPolarHBondContact O-CB 3.24Å; N113-T117 PolarHBondContact O-N 2.92Å; N113-T117 PolarHBondContact O-OG1 2.98Å
114K93.8Very high95.7Very high33 Ų3361.7 Ų61.714%0.14330%0.302CS..Hα-helixtrans-64.1-34.9-177.1-67.4174.3-171.2158.70112.6N34 Q35 F36 A118N34-K114 WeakPolarHBondContact O-CB 3.33Å; N34-K114 VanDerWaalsContact O-CG 3.3Å; N34-K114 WeakPolarHBondContact O-CG 3.33Å; N34-K114 PolarHBondContact O-N 3.07Å; N34-K114 WeakPolarHBondContact OD1-CD 3.34Å; Q35-K114 VanDerWaalsContact O-CE 3.24Å; Q35-K114 WeakPolarHBondContact O-CE 3.37Å; F36-K114 HydrophobicContact CD1-CG 4.12Å; F36-K114 HydrophobicContact CD2-CG 3.79Å; F36-K114 HydrophobicContact CE1-CD 4.49Å; F36-K114 HydrophobicContact CE1-CG 3.96Å; F36-K114 HydrophobicContact CE2-CB 4.12Å; F36-K114 HydrophobicContact CE2-CG 3.6Å; F36-K114 HydrophobicContact CG-CG 4.04Å; F36-K114 HydrophobicContact CZ-CB 4.27Å; F36-K114 HydrophobicContact CZ-CG 3.7Å; K114-A118 WeakPolarHBondContact O-CB 3.41Å; K114-A118 PolarHBondContact O-N 3.46Å
115K93.9Very high95.5Very high135 Ų13564.9 Ų64.959%0.58732%0.317SS*.Hα-helixtrans-70.1-50.2179.3-173.1-174.4173.8-167.50110.7N113 T117 A118 E119N113-K115 VanDerWaalsContact C-N 3.3Å; N113-K115 PolarHBondContact O-N 2.85Å; N113-K115 VanDerWaalsContact OD1-CB 3.28Å; N113-K115 WeakPolarHBondContact OD1-CB 3.34Å; N113-K115 PolarHBondContact OD1-N 3.1Å; K115-T117 VanDerWaalsContact C-N 3.26Å; K115-T117 PolarHBondContact O-N 2.81Å; K115-A118 WeakPolarHBondContact O-CB 3.35Å; K115-A118 PolarHBondContact O-N 2.8Å; K115-E119 VanDerWaalsContact CE-OE1 3.26Å; K115-E119 WeakPolarHBondContact CE-OE1 3.4Å; K115-E119 IonicContact NZ-OE1 2.82Å; K115-E119 WeakPolarHBondContact O-CG 3.35Å; K115-E119 PolarHBondContact O-N 3.25Å
116E95.3Very high95.2Very high124 Ų12465.1 Ų65.158%0.57932%0.319SS*.Hα-helixtrans-61.9-37.1177.3-62.2171.4176.700111.6N113 A118 E119 K120N113-E116 HydrophobicContact CB-CB 4.14Å; N113-E116 HydrophobicContact CB-CG 3.95Å; N113-E116 WeakPolarHBondContact CB-OE2 3.47Å; N113-E116 PolarHBondContact O-N 2.87Å; E116-A118 VanDerWaalsContact C-N 3.33Å; E116-A118 PolarHBondContact O-N 2.99Å; E116-E119 PolarHBondContact O-N 3.38Å; E116-K120 WeakPolarHBondContact O-CB 3.49Å; E116-K120 PolarHBondContact O-N 3.44Å
117T95Very high94.8Very high6 Ų668.6 Ų68.64%0.03734%0.336CS..Hα-helixtrans-63.9-40.5174.3-54.30000110.9F36 L109 L112 N113 K115 K120 Y121 V126F36-T117 HydrophobicContact CE2-CG2 3.92Å; F36-T117 HydrophobicContact CZ-CG2 4.45Å; L109-T117 HydrophobicContact CD2-CG2 4.05Å; L112-T117 WeakPolarHBondContact CB-OG1 3.39Å; N113-T117 WeakPolarHBondContact O-CB 3.24Å; N113-T117 PolarHBondContact O-N 2.92Å; N113-T117 PolarHBondContact O-OG1 2.98Å; K115-T117 VanDerWaalsContact C-N 3.26Å; K115-T117 PolarHBondContact O-N 2.81Å; T117-K120 PolarHBondContact O-N 3.3Å; T117-Y121 HydrophobicContact CG2-CD2 3.66Å; T117-Y121 HydrophobicContact CG2-CE2 4.13Å; T117-Y121 WeakPolarHBondContact O-CD2 3.37Å; T117-Y121 PolarHBondContact O-N 2.8Å; T117-V126 HydrophobicContact CG2-CG2 3.75Å
118A94.8Very high94.5Very high11 Ų1171.1 Ų71.19%0.09135%0.349CS..Hα-helixtrans-68.2-37.3176.500000112.3K114 K115 E116 K120 G122 D123 V126K114-A118 WeakPolarHBondContact O-CB 3.41Å; K114-A118 PolarHBondContact O-N 3.46Å; K115-A118 WeakPolarHBondContact O-CB 3.35Å; K115-A118 PolarHBondContact O-N 2.8Å; E116-A118 VanDerWaalsContact C-N 3.33Å; E116-A118 PolarHBondContact O-N 2.99Å; A118-K120 VanDerWaalsContact C-N 3.26Å; A118-K120 PolarHBondContact O-N 3.42Å; A118-G122 CarbonylContact O-C 3.35Å; A118-G122 WeakPolarHBondContact O-CA 3.34Å; A118-G122 PolarHBondContact O-N 2.89Å; A118-D123 WeakPolarHBondContact CB-OD1 3.22Å; A118-V126 HydrophobicContact CB-CB 4.37Å; A118-V126 HydrophobicContact CB-CG2 4.16Å
119E95.4Very high94.3Very high137 Ų13767.6 Ų67.664%0.6433%0.333SS*.Hα-helixtrans-62-34.7172.5-70.2169.5-175.900111.9K115 E116K115-E119 VanDerWaalsContact CE-OE1 3.26Å; K115-E119 WeakPolarHBondContact CE-OE1 3.4Å; K115-E119 IonicContact NZ-OE1 2.82Å; K115-E119 WeakPolarHBondContact O-CG 3.35Å; K115-E119 PolarHBondContact O-N 3.25Å; E116-E119 PolarHBondContact O-N 3.38Å
120K95Very high94Very high151 Ų15171.5 Ų71.566%0.65735%0.348SS*.Hα-helixtrans-81.8-41.6-179.5-176.7175.8176.8-1700114.2E116 T117 A118E116-K120 WeakPolarHBondContact O-CB 3.49Å; E116-K120 PolarHBondContact O-N 3.44Å; T117-K120 PolarHBondContact O-N 3.3Å; A118-K120 VanDerWaalsContact C-N 3.26Å; A118-K120 PolarHBondContact O-N 3.42Å
121Y94.2Very high93.6Very high97 Ų9772.5 Ų72.538%0.3835%0.35SS..Hα-helixtrans-109.7-9.3-171.3-64.8-79000113.9T117 Q125 W129T117-Y121 HydrophobicContact CG2-CD2 3.66Å; T117-Y121 HydrophobicContact CG2-CE2 4.13Å; T117-Y121 WeakPolarHBondContact O-CD2 3.37Å; T117-Y121 PolarHBondContact O-N 2.8Å; Y121-Q125 WeakPolarHBondContact O-CB 3.47Å; Y121-W129 AromaticContact CD1-CH2 3.77Å; Y121-W129 HydrophobicContact CD1-CH2 3.77Å; Y121-W129 HydrophobicContact CD1-CZ3 4.27Å; Y121-W129 HydrophobicContact CD2-CH2 4.33Å; Y121-W129 HydrophobicContact CD2-CZ3 4.05Å; Y121-W129 HydrophobicContact CE1-CH2 4.27Å; Y121-W129 AromaticContact CG-CH2 3.8Å; Y121-W129 HydrophobicContact CG-CH2 3.8Å; Y121-W129 AromaticContact CG-CZ3 3.82Å; Y121-W129 HydrophobicContact CG-CZ3 3.82Å
122G95Very high93.3Very high33 Ų3372 Ų7234%0.3434%0.342SS..  trans91.8143-173.100000112.8A118 E124 Q125 V126A118-G122 CarbonylContact O-C 3.35Å; A118-G122 WeakPolarHBondContact O-CA 3.34Å; A118-G122 PolarHBondContact O-N 2.89Å; G122-E124 VanDerWaalsContact C-N 3.29Å; G122-E124 PolarHBondContact O-N 3.07Å; G122-Q125 PolarHBondContact O-N 3.36Å; G122-V126 PolarHBondContact O-N 3.32Å; G122-V126 VanDerWaalsContact O-N 3.12Å
123D93.3Very high93.1Very high127 Ų12769.9 Ų69.968%0.67933%0.33SS*.Hα-helixtrans-57.7-41.1179.2-73.5-55.1000112.4A118 V126 H127A118-D123 WeakPolarHBondContact CB-OD1 3.22Å; D123-V126 PolarHBondContact O-N 2.86Å; D123-H127 VanDerWaalsContact O-CB 3.26Å; D123-H127 WeakPolarHBondContact O-CB 3.23Å; D123-H127 PolarHBondContact O-N 2.84Å
124E94.2Very high93Very high155 Ų15573 Ų7372%0.72435%0.347SS*.Hα-helixtrans-63.8-46.3-179.7-171.1178.5-176.500111.5G122 V126 H127 I128G122-E124 VanDerWaalsContact C-N 3.29Å; G122-E124 PolarHBondContact O-N 3.07Å; E124-V126 PolarHBondContact O-N 3.47Å; E124-H127 WeakPolarHBondContact O-CB 3.48Å; E124-H127 PolarHBondContact O-N 3.4Å; E124-I128 HydrophobicContact CG-CD1 4.16Å; E124-I128 VanDerWaalsContact O-CG1 3.29Å; E124-I128 WeakPolarHBondContact O-CG1 3.29Å; E124-I128 PolarHBondContact O-N 2.81Å
125Q93.5Very high93.1Very high68 Ų6873.9 Ų73.932%0.31835%0.354SS..Hα-helixtrans-64.3-41.3179-176.158.871.600111.9Y121 G122 H127 I128 W129Y121-Q125 WeakPolarHBondContact O-CB 3.47Å; G122-Q125 PolarHBondContact O-N 3.36Å; Q125-H127 VanDerWaalsContact C-N 3.34Å; Q125-I128 PolarHBondContact O-N 3.31Å; Q125-W129 HydrophobicContact CG-CD2 4.16Å; Q125-W129 HydrophobicContact CG-CE3 4.14Å; Q125-W129 HydrophobicContact CG-CH2 3.64Å; Q125-W129 HydrophobicContact CG-CZ2 3.65Å; Q125-W129 HydrophobicContact CG-CZ3 3.9Å; Q125-W129 VanDerWaalsContact NE2-NE1 3.2Å; Q125-W129 PolarHBondContact O-N 2.73Å
126V91.7Very high93.2Very high6 Ų670.8 Ų70.84%0.03634%0.344CS..Hα-helixtrans-66.4-38.1174.8168.60000111.3F36 T117 A118 G122 D123 E124 W129 R130F36-V126 HydrophobicContact CZ-CG1 3.91Å; T117-V126 HydrophobicContact CG2-CG2 3.75Å; A118-V126 HydrophobicContact CB-CB 4.37Å; A118-V126 HydrophobicContact CB-CG2 4.16Å; G122-V126 PolarHBondContact O-N 3.32Å; G122-V126 VanDerWaalsContact O-N 3.12Å; D123-V126 PolarHBondContact O-N 2.86Å; E124-V126 PolarHBondContact O-N 3.47Å; V126-W129 HydrophobicContact CG2-CE3 4.27Å; V126-W129 HydrophobicContact CG2-CZ3 4.37Å; V126-R130 HydrophobicContact CG1-CG 4.42Å; V126-R130 WeakPolarHBondContact O-CB 3.42Å; V126-R130 WeakPolarHBondContact O-CG 3.49Å; V126-R130 PolarHBondContact O-N 3.01Å
127H90.2Very high93.2Very high96 Ų9665.2 Ų65.244%0.44432%0.318SS..Hα-helixtrans-62.7-44.8174.6-17389.7000111.2D123 E124 Q125 R130 R131D123-H127 VanDerWaalsContact O-CB 3.26Å; D123-H127 WeakPolarHBondContact O-CB 3.23Å; D123-H127 PolarHBondContact O-N 2.84Å; E124-H127 WeakPolarHBondContact O-CB 3.48Å; E124-H127 PolarHBondContact O-N 3.4Å; Q125-H127 VanDerWaalsContact C-N 3.34Å; H127-R130 CarbonylContact O-C 3.57Å; H127-R130 WeakPolarHBondContact O-CA 3.19Å; H127-R130 PolarHBondContact O-N 2.65Å; H127-R131 PolarHBondContact O-N 2.61Å
128I90.5Very high93.3Very high54 Ų5467 Ų6728%0.27733%0.33SS..Hα-helixtrans-57.8-53.8176-71166.5000110.3E124 Q125 R130 R131 S132 V135E124-I128 HydrophobicContact CG-CD1 4.16Å; E124-I128 VanDerWaalsContact O-CG1 3.29Å; E124-I128 WeakPolarHBondContact O-CG1 3.29Å; E124-I128 PolarHBondContact O-N 2.81Å; Q125-I128 PolarHBondContact O-N 3.31Å; I128-R130 PolarHBondContact O-N 2.7Å; I128-R130 VanDerWaalsContact O-N 3.09Å; I128-R131 PolarHBondContact O-N 2.82Å; I128-S132 WeakPolarHBondContact O-CB 3.36Å; I128-S132 PolarHBondContact O-N 2.83Å; I128-V135 HydrophobicContact CG2-CB 3.65Å; I128-V135 HydrophobicContact CG2-CG1 3.6Å; I128-V135 HydrophobicContact CG2-CG2 3.75Å
129W91.9Very high93.4Very high23 Ų2370.4 Ų70.49%0.08735%0.346CS..Hα-helixtrans-57.9-27.9176.5-69.2-35.1000113.4R104 L109 Y121 Q125 V126 L136 P138R104-W129 PolarHBondContact NH1-O 2.76Å; R104-W129 PolarHBondContact NH2-O 2.56Å; L109-W129 HydrophobicContact CD1-CB 4.25Å; L109-W129 HydrophobicContact CD1-CD2 4.12Å; L109-W129 HydrophobicContact CD1-CE3 3.75Å; L109-W129 HydrophobicContact CD1-CG 4.37Å; L109-W129 HydrophobicContact CD1-CZ3 4.43Å; L109-W129 HydrophobicContact CD2-CE3 4.3Å; L109-W129 HydrophobicContact CD2-CZ3 4.16Å; Y121-W129 AromaticContact CD1-CH2 3.77Å; Y121-W129 HydrophobicContact CD1-CH2 3.77Å; Y121-W129 HydrophobicContact CD1-CZ3 4.27Å; Y121-W129 HydrophobicContact CD2-CH2 4.33Å; Y121-W129 HydrophobicContact CD2-CZ3 4.05Å; Y121-W129 HydrophobicContact CE1-CH2 4.27Å; Y121-W129 AromaticContact CG-CH2 3.8Å; Y121-W129 HydrophobicContact CG-CH2 3.8Å; Y121-W129 AromaticContact CG-CZ3 3.82Å; Y121-W129 HydrophobicContact CG-CZ3 3.82Å; Q125-W129 HydrophobicContact CG-CD2 4.16Å; Q125-W129 HydrophobicContact CG-CE3 4.14Å; Q125-W129 HydrophobicContact CG-CH2 3.64Å; Q125-W129 HydrophobicContact CG-CZ2 3.65Å; Q125-W129 HydrophobicContact CG-CZ3 3.9Å; Q125-W129 VanDerWaalsContact NE2-NE1 3.2Å; Q125-W129 PolarHBondContact O-N 2.73Å; V126-W129 HydrophobicContact CG2-CE3 4.27Å; V126-W129 HydrophobicContact CG2-CZ3 4.37Å; W129-L136 PolarHBondContact NE1-O 3.23Å; W129-L136 VanDerWaalsContact NE1-O 3.15Å; W129-P138 HydrophobicContact CH2-CG 4.13Å; W129-P138 HydrophobicContact CZ2-CG 3.9Å
130R89.7Confident93.5Very high84 Ų8465 Ų6532%0.31732%0.321SS..Hα-helixtrans-85.5-33.8-179.4-75.8176.866-160.1-2.3113.9F36 R104 Y106 V126 H127 I128F36-R130 HydrophobicContact CE1-CG 3.72Å; F36-R130 HydrophobicContact CZ-CG 4.43Å; R104-R130 PolarHBondContact NH1-O 2.93Å; R104-R130 VanDerWaalsContact NH2-C 3.35Å; R104-R130 PolarHBondContact NH2-O 3.42Å; Y106-R130 HydrophobicContact CE1-CG 4.45Å; V126-R130 HydrophobicContact CG1-CG 4.42Å; V126-R130 WeakPolarHBondContact O-CB 3.42Å; V126-R130 WeakPolarHBondContact O-CG 3.49Å; V126-R130 PolarHBondContact O-N 3.01Å; H127-R130 CarbonylContact O-C 3.57Å; H127-R130 WeakPolarHBondContact O-CA 3.19Å; H127-R130 PolarHBondContact O-N 2.65Å; I128-R130 PolarHBondContact O-N 2.7Å; I128-R130 VanDerWaalsContact O-N 3.09Å
131R89Confident93.5Very high50 Ų5063.1 Ų63.119%0.18932%0.315CS..Hα-helixtrans-123-26.5-166.8-67-67.9-171.4166.90.9113.9H127 I128 M218 E221H127-R131 PolarHBondContact O-N 2.61Å; I128-R131 PolarHBondContact O-N 2.82Å; R131-M218 HydrophobicContact CB-CE 3.91Å; R131-M218 WeakPolarHBondContact O-CG 3.08Å; R131-E221 IonicContact CZ-OE2 2.61Å; R131-E221 IonicContact NH1-OE2 2.65Å; R131-E221 IonicContact NH2-OE2 2.67Å; R131-E221 PolarHBondContact NH2-OE2 3.45Å
132S89.9Confident93.6Very high13 Ų1361.4 Ų61.49%0.09132%0.321CS..  trans-55.8143.6176.7169.20000111.4I128 D134 V135I128-S132 WeakPolarHBondContact O-CB 3.36Å; I128-S132 PolarHBondContact O-N 2.83Å; S132-D134 PolarHBondContact OG-N 2.78Å; S132-D134 PolarHBondContact OG-OD1 2.96Å; S132-V135 WeakPolarHBondContact OG-CB 3.44Å; S132-V135 VanDerWaalsContact OG-CG2 3.31Å; S132-V135 WeakPolarHBondContact OG-CG2 3.25Å; S132-V135 PolarHBondContact OG-N 2.93Å; S132-V135 VanDerWaalsContact OG-N 3.09Å
133Y92.5Very high93.7Very high29 Ų2965.5 Ų65.511%0.11434%0.34CS..SBendtrans-68.4-43175.6179.4-120000112N167 L168 K169 K207 D214 I217Y133-N167 WeakPolarHBondContact O-CB 3.14Å; Y133-L168 HydrophobicContact CD2-CB 3.99Å; Y133-L168 HydrophobicContact CD2-CD2 4.22Å; Y133-L168 HydrophobicContact CD2-CG 4.21Å; Y133-L168 PolarHBondContact O-N 3.06Å; Y133-K169 HydrophobicContact CD1-CB 4.21Å; Y133-K169 HydrophobicContact CD2-CB 4.28Å; Y133-K169 HydrophobicContact CE1-CB 3.82Å; Y133-K169 HydrophobicContact CE1-CD 4.1Å; Y133-K169 HydrophobicContact CE1-CG 3.98Å; Y133-K169 HydrophobicContact CE2-CB 3.87Å; Y133-K169 HydrophobicContact CG-CB 4.43Å; Y133-K169 WeakPolarHBondContact O-CB 3.39Å; Y133-K169 PolarHBondContact O-N 2.98Å; Y133-K207 HydrophobicContact CD2-CD 4.48Å; Y133-K207 HydrophobicContact CE2-CD 3.9Å; Y133-D214 HydrophobicContact CD1-CB 3.81Å; Y133-D214 WeakPolarHBondContact CD1-OD2 3.33Å; Y133-D214 HydrophobicContact CE1-CB 4.23Å; Y133-D214 VanDerWaalsContact CE1-OD1 3.28Å; Y133-D214 WeakPolarHBondContact CE1-OD1 3.17Å; Y133-D214 WeakPolarHBondContact CE1-OD2 3.5Å; Y133-D214 HydrophobicContact CG-CB 4.26Å; Y133-I217 HydrophobicContact CD2-CG2 4.19Å
134D94.2Very high93.8Very high102 Ų10261.7 Ų61.755%0.54532%0.319SS..SBendtrans-122.10.1-165.368.7-14.8000115.4S132 N167S132-D134 PolarHBondContact OG-N 2.78Å; S132-D134 PolarHBondContact OG-OD1 2.96Å; D134-N167 WeakPolarHBondContact CA-ND2 3.19Å; D134-N167 PolarHBondContact O-ND2 3.43Å
135V94.7Very high93.7Very high50 Ų5063.2 Ų63.230%0.30333%0.326SS..PPolyproline II helixtrans-89.3120.3176.7-178.70000112.1I128 S132 N167I128-V135 HydrophobicContact CG2-CB 3.65Å; I128-V135 HydrophobicContact CG2-CG1 3.6Å; I128-V135 HydrophobicContact CG2-CG2 3.75Å; S132-V135 WeakPolarHBondContact OG-CB 3.44Å; S132-V135 VanDerWaalsContact OG-CG2 3.31Å; S132-V135 WeakPolarHBondContact OG-CG2 3.25Å; S132-V135 PolarHBondContact OG-N 2.93Å; S132-V135 VanDerWaalsContact OG-N 3.09Å; V135-N167 WeakPolarHBondContact O-CB 3.45Å
136L96.6Very high93.6Very high71 Ų7162.9 Ų62.937%0.37234%0.341SS..PPolyproline II helixtrans-76.8145.7177.8-69.9168000112.5W129 L139 N167W129-L136 PolarHBondContact NE1-O 3.23Å; W129-L136 VanDerWaalsContact NE1-O 3.15Å; L136-L139 HydrophobicContact CD1-CD2 4.46Å; L136-N167 HydrophobicContact CD2-CB 4.13Å
137P96.5Very high93.8Very high6 Ų663 Ų634%0.03934%0.342CS..PPolyproline II helixtrans-70.7169.7163.433.5-35.5000110.9Y106 L109 L139 E166Y106-P137 WeakPolarHBondContact O-CB 3.28Å; L109-P137 HydrophobicContact CD1-CB 3.8Å; L109-P137 HydrophobicContact CG-CB 4.17Å; P137-L139 PolarHBondContact O-N 3.23Å; P137-E166 VanDerWaalsContact CD-O 3.22Å; P137-E166 WeakPolarHBondContact CD-O 3.38Å
138P96.3Very high94.1Very high44 Ų4458.7 Ų58.729%0.28632%0.323SS..PPolyproline II helixtrans-56.9125.8170.2-22.633.7000111.1K108 L109 W129K108-P138 HydrophobicContact CB-CB 4.27Å; K108-P138 PolarHBondContact N-O 2.7Å; L109-P138 HydrophobicContact CD2-CG 4.45Å; W129-P138 HydrophobicContact CH2-CG 4.13Å; W129-P138 HydrophobicContact CZ2-CG 3.9Å
139L97.1Very high94.4Very high83 Ų8358.2 Ų58.244%0.43533%0.327SS..PPolyproline II helixtrans-76.5142-172.9-56.8-178.1000112.2K108 L136 P137K108-L139 WeakPolarHBondContact CD-O 3.38Å; K108-L139 WeakPolarHBondContact CE-O 3.28Å; K108-L139 WeakPolarHBondContact CG-O 3.14Å; K108-L139 PolarHBondContact NZ-O 2.79Å; L136-L139 HydrophobicContact CD1-CD2 4.46Å; P137-L139 PolarHBondContact O-N 3.23Å
140M96.4Very high94.5Very high23 Ų2363 Ų6311%0.11335%0.35CS..PPolyproline II helixtrans-88.4138.9170.2-173175.2-78.300109.9K108 D144 S147 G164K108-M140 HydrophobicContact CG-CB 4.3Å; M140-D144 WeakPolarHBondContact CA-OD2 3.29Å; M140-D144 HydrophobicContact CG-CB 3.42Å; M140-D144 VanDerWaalsContact CG-CB 3.42Å; M140-D144 WeakPolarHBondContact CG-OD2 3.42Å; M140-D144 HydrophobicContact SD-CB 4.24Å; M140-S147 VanDerWaalsContact SD-CA 3.58Å; M140-G164 WeakPolarHBondContact CB-O 3.4Å; M140-G164 PolarHBondContact N-O 2.75Å; M140-G164 WeakPolarHBondContact O-CA 3.38Å
141E96.8Very high94.8Very high111 Ų11161.1 Ų61.152%0.51935%0.347SS..PPolyproline II helixtrans-79.5158.5173.3-60.4-60.6148.200111T143 D144 S147E141-T143 PolarHBondContact O-N 3.23Å; E141-D144 PolarHBondContact N-OD2 3.01Å; E141-D144 WeakPolarHBondContact O-CB 3.4Å; E141-D144 PolarHBondContact O-N 3.3Å; E141-D144 VanDerWaalsContact O-N 3.13Å; E141-S147 WeakPolarHBondContact O-CB 3.49Å; E141-S147 PolarHBondContact O-OG 2.87Å
142A95.8Very high95.2Very high62 Ų6269 Ų6951%0.51238%0.377SS..THydrogen-bonded Turntrans-61.2-26174.900000112.9A149 Q150A142-A149 HydrophobicContact CB-CB 3.88Å; A142-Q150 PolarHBondContact O-NE2 3.06Å
143T96Very high95.5Very high119 Ų11971.6 Ų71.673%0.7338%0.384SS*.THydrogen-bonded Turntrans-89.2-11.217952.70000113.9E141 Q150E141-T143 PolarHBondContact O-N 3.23Å; T143-Q150 PolarHBondContact O-NE2 3.38Å
144D95.9Very high95.8Very high46 Ų4670.4 Ų70.425%0.24638%0.38CS..SBendtrans-64.7146.4179.6-74.9-16.7000110.5K108 M140 E141 G146 S147K108-D144 WeakPolarHBondContact CE-OD2 3.5Å; K108-D144 IonicContact NZ-OD2 3.8Å; M140-D144 WeakPolarHBondContact CA-OD2 3.29Å; M140-D144 HydrophobicContact CG-CB 3.42Å; M140-D144 VanDerWaalsContact CG-CB 3.42Å; M140-D144 WeakPolarHBondContact CG-OD2 3.42Å; M140-D144 HydrophobicContact SD-CB 4.24Å; E141-D144 PolarHBondContact N-OD2 3.01Å; E141-D144 WeakPolarHBondContact O-CB 3.4Å; E141-D144 PolarHBondContact O-N 3.3Å; E141-D144 VanDerWaalsContact O-N 3.13Å; D144-G146 PolarHBondContact O-N 3.35Å; D144-S147 WeakPolarHBondContact O-CB 3.26Å; D144-S147 PolarHBondContact O-N 3.17Å; D144-S147 VanDerWaalsContact O-N 3.12Å
145E93.1Very high95.9Very high187 Ų18770.3 Ų70.387%0.87439%0.387SS*.THydrogen-bonded Turntrans-60.6132.7174.4-174.2178.5-176.700110.4S147E145-S147 VanDerWaalsContact C-N 3.29Å; E145-S147 PolarHBondContact O-N 3.22Å
146G91.8Very high95.9Very high61 Ų6175.7 Ų75.763%0.62941%0.411SS*.THydrogen-bonded Turntrans81.23.5-176.900000114.7D144 A148D144-G146 PolarHBondContact O-N 3.35Å; G146-A148 PolarHBondContact O-N 3.35Å
147S95.7Very high95.9Very high9 Ų973.8 Ų73.86%0.06340%0.401CS..  trans-61.8132.7173-173.50000111.6M140 E141 D144 E145 A149 Q150M140-S147 VanDerWaalsContact SD-CA 3.58Å; E141-S147 WeakPolarHBondContact O-CB 3.49Å; E141-S147 PolarHBondContact O-OG 2.87Å; D144-S147 WeakPolarHBondContact O-CB 3.26Å; D144-S147 PolarHBondContact O-N 3.17Å; D144-S147 VanDerWaalsContact O-N 3.12Å; E145-S147 VanDerWaalsContact C-N 3.29Å; E145-S147 PolarHBondContact O-N 3.22Å; S147-A149 PolarHBondContact O-N 2.78Å; S147-A149 VanDerWaalsContact O-N 3.11Å; S147-A149 PolarHBondContact OG-N 2.89Å; S147-Q150 PolarHBondContact O-N 3.45Å; S147-Q150 VanDerWaalsContact O-N 3.14Å
148A96.3Very high95.9Very high6 Ų676.3 Ų76.35%0.0541%0.414CS..G310 helixtrans-61.5-19.517600000112.6W39 G146 Q150 D151 Y154 I162W39-A148 HydrophobicContact CE3-CB 3.69Å; W39-A148 HydrophobicContact CZ3-CB 4.08Å; G146-A148 PolarHBondContact O-N 3.35Å; A148-Q150 PolarHBondContact O-N 3.43Å; A148-Q150 VanDerWaalsContact O-N 3.14Å; A148-D151 PolarHBondContact O-N 2.96Å; A148-D151 VanDerWaalsContact O-N 3.1Å; A148-Y154 HydrophobicContact CB-CD2 3.8Å; A148-Y154 HydrophobicContact CB-CE2 3.77Å; A148-Y154 VanDerWaalsContact O-CD2 3.28Å; A148-Y154 WeakPolarHBondContact O-CD2 3.26Å; A148-I162 HydrophobicContact CB-CG2 3.62Å
149A95.4Very high95.8Very high43 Ų4378.9 Ų78.936%0.35543%0.431SS..G310 helixtrans-62.4-20.6177.100000113.1A142 S147 I162A142-A149 HydrophobicContact CB-CB 3.88Å; S147-A149 PolarHBondContact O-N 2.78Å; S147-A149 VanDerWaalsContact O-N 3.11Å; S147-A149 PolarHBondContact OG-N 2.89Å; A149-I162 HydrophobicContact CB-CD1 4.43Å; A149-I162 HydrophobicContact CB-CG2 4.32Å
150Q93.9Very high95.6Very high123 Ų12384.9 Ų84.958%0.57545%0.448SS*.G310 helixtrans-100.6-3.4-179.6-57.6176.620.900112.6A142 T143 S147 A148A142-Q150 PolarHBondContact O-NE2 3.06Å; T143-Q150 PolarHBondContact O-NE2 3.38Å; S147-Q150 PolarHBondContact O-N 3.45Å; S147-Q150 VanDerWaalsContact O-N 3.14Å; A148-Q150 PolarHBondContact O-N 3.43Å; A148-Q150 VanDerWaalsContact O-N 3.14Å
151D96.6Very high95.5Very high46 Ų4687.9 Ų87.925%0.24646%0.464CS..  trans-93.4126-177.1178-20.5000111.3A148 R153 Y154A148-D151 PolarHBondContact O-N 2.96Å; A148-D151 VanDerWaalsContact O-N 3.1Å; D151-R153 PolarHBondContact O-N 3.26Å; D151-R153 WeakPolarHBondContact OD1-CB 3.47Å; D151-R153 WeakPolarHBondContact OD1-CG 3.46Å; D151-R153 PolarHBondContact OD1-N 3.12Å; D151-R153 IonicContact OD1-NE 2.96Å; D151-R153 PolarHBondContact OD1-NE 3.11Å; D151-R153 IonicContact OD2-CZ 3.51Å; D151-R153 IonicContact OD2-NE 2.99Å; D151-R153 PolarHBondContact OD2-NE 2.81Å; D151-R153 IonicContact OD2-NH2 3.81Å; D151-R153 PolarHBondContact OD2-NH2 3.5Å; D151-Y154 HydrophobicContact CB-CD2 3.78Å; D151-Y154 HydrophobicContact CB-CE2 3.96Å; D151-Y154 PolarHBondContact O-N 3.37Å
152R96.8Very high95.5Very high216 Ų21683.8 Ų83.882%0.81545%0.446SS*.G310 helixtrans-53.9-27.5-177.675.2177-171.7124.30.2114.1Y154 S155R152-Y154 PolarHBondContact O-N 3.12Å; R152-S155 WeakPolarHBondContact O-CB 3.46Å; R152-S155 PolarHBondContact O-N 3.47Å; R152-S155 VanDerWaalsContact O-N 3.17Å; R152-S155 PolarHBondContact O-OG 3.1Å
153R97.2Very high95.6Very high66 Ų6681.6 Ų81.625%0.24943%0.426CS..G310 helixtrans-60.7-24.3178.4-69.2-179.5-67-179.7-5.5112.6D41 V73 D151D41-R153 IonicContact OD1-NH1 3.3Å; D41-R153 IonicContact OD2-CZ 3.77Å; D41-R153 IonicContact OD2-NH1 3.86Å; D41-R153 PolarHBondContact OD2-NH1 3.28Å; D41-R153 IonicContact OD2-NH2 2.87Å; V73-R153 PolarHBondContact O-NH1 3.19Å; D151-R153 PolarHBondContact O-N 3.26Å; D151-R153 WeakPolarHBondContact OD1-CB 3.47Å; D151-R153 WeakPolarHBondContact OD1-CG 3.46Å; D151-R153 PolarHBondContact OD1-N 3.12Å; D151-R153 IonicContact OD1-NE 2.96Å; D151-R153 PolarHBondContact OD1-NE 3.11Å; D151-R153 IonicContact OD2-CZ 3.51Å; D151-R153 IonicContact OD2-NE 2.99Å; D151-R153 PolarHBondContact OD2-NE 2.81Å; D151-R153 IonicContact OD2-NH2 3.81Å; D151-R153 PolarHBondContact OD2-NH2 3.5Å
154Y97.9Very high95.6Very high4 Ų476.9 Ų76.92%0.01640%0.401CS..G310 helixtrans-108.56.7-178-46.9-70.1000112.6W39 V73 W99 N102 A148 D151 R152 M156 L157W39-Y154 HydrophobicContact CE3-CD1 4.36Å; W39-Y154 AromaticContact CE3-CE1 3.66Å; W39-Y154 HydrophobicContact CE3-CE1 3.66Å; W39-Y154 HydrophobicContact CE3-CE2 4.01Å; W39-Y154 AromaticContact CE3-CZ 3.44Å; W39-Y154 VanDerWaalsContact CE3-CZ 3.44Å; W39-Y154 HydrophobicContact CH2-CE1 4.2Å; W39-Y154 AromaticContact CZ3-CD1 3.69Å; W39-Y154 HydrophobicContact CZ3-CD1 3.69Å; W39-Y154 AromaticContact CZ3-CE1 3.33Å; W39-Y154 HydrophobicContact CZ3-CE1 3.33Å; W39-Y154 HydrophobicContact CZ3-CE2 4.25Å; W39-Y154 HydrophobicContact CZ3-CG 4.28Å; W39-Y154 AromaticContact CZ3-CZ 3.64Å; V73-Y154 HydrophobicContact CG2-CE1 3.65Å; W99-Y154 HydrophobicContact CB-CD1 4.23Å; W99-Y154 HydrophobicContact CB-CE1 4.03Å; N102-Y154 PolarHBondContact ND2-OH 3.33Å; A148-Y154 HydrophobicContact CB-CD2 3.8Å; A148-Y154 HydrophobicContact CB-CE2 3.77Å; A148-Y154 VanDerWaalsContact O-CD2 3.28Å; A148-Y154 WeakPolarHBondContact O-CD2 3.26Å; D151-Y154 HydrophobicContact CB-CD2 3.78Å; D151-Y154 HydrophobicContact CB-CE2 3.96Å; D151-Y154 PolarHBondContact O-N 3.37Å; R152-Y154 PolarHBondContact O-N 3.12Å; Y154-M156 PolarHBondContact O-N 3.27Å; Y154-L157 HydrophobicContact CD1-CD1 4.05Å; Y154-L157 WeakPolarHBondContact O-CB 3.4Å; Y154-L157 PolarHBondContact O-N 3.28Å
155S96.3Very high95.7Very high101 Ų10175.1 Ų75.171%0.70639%0.394SS*.THydrogen-bonded Turntrans-61.3-18.7-177.959.10000114.9R152R152-S155 WeakPolarHBondContact O-CB 3.46Å; R152-S155 PolarHBondContact O-N 3.47Å; R152-S155 VanDerWaalsContact O-N 3.17Å; R152-S155 PolarHBondContact O-OG 3.1Å
156M95Very high95.9Very high162 Ų16266.3 Ų66.380%0.79835%0.353SS*.THydrogen-bonded Turntrans-87.1-7.8176.467.3-148.7-70.200113.8Y154Y154-M156 PolarHBondContact O-N 3.27Å
157L96.6Very high96.1Very high31 Ų3163.8 Ų63.816%0.16233%0.325CS..SBendtrans-88.4152.7-179-55-174.6000110.8W99 Y154 I162W99-L157 HydrophobicContact CD2-CD1 3.76Å; W99-L157 HydrophobicContact CE3-CD1 4.41Å; W99-L157 HydrophobicContact CG-CD1 3.81Å; W99-L157 HydrophobicContact CG-CD2 4.46Å; W99-L157 HydrophobicContact CZ2-CD1 4.26Å; W99-L157 HydrophobicContact CZ2-CD2 4.43Å; Y154-L157 HydrophobicContact CD1-CD1 4.05Å; Y154-L157 WeakPolarHBondContact O-CB 3.4Å; Y154-L157 PolarHBondContact O-N 3.28Å; L157-I162 HydrophobicContact CB-CG1 4.24Å; L157-I162 HydrophobicContact CD1-CG1 4.43Å
158D96.1Very high96.2Very high59 Ų5963.4 Ų63.432%0.31632%0.322SS..  trans-61.8130.8162.8-167.7-60000108.2R160 D161D158-R160 PolarHBondContact O-N 3.04Å; D158-R160 VanDerWaalsContact OD1-CB 3.27Å; D158-R160 WeakPolarHBondContact OD1-CB 3.49Å; D158-R160 VanDerWaalsContact OD1-CG 3.31Å; D158-R160 WeakPolarHBondContact OD1-CG 3.47Å; D158-R160 IonicContact OD1-CZ 3.76Å; D158-R160 PolarHBondContact OD1-N 3.13Å; D158-R160 IonicContact OD1-NE 2.87Å; D158-R160 PolarHBondContact OD1-NE 3.38Å; D158-R160 IonicContact OD1-NH2 3.8Å; D158-R160 IonicContact OD2-CZ 3.37Å; D158-R160 IonicContact OD2-NE 3.28Å; D158-R160 PolarHBondContact OD2-NE 3.44Å; D158-R160 IonicContact OD2-NH2 2.65Å; D158-R160 PolarHBondContact OD2-NH2 3.44Å; D158-D161 WeakPolarHBondContact O-CB 3.4Å; D158-D161 PolarHBondContact O-N 3.19Å
159P94.4Very high96.2Very high99 Ų9967.2 Ų67.264%0.64334%0.337SS*.G310 helixtrans-53.9-24.5178.3-28.736000114.1D161 I162P159-D161 VanDerWaalsContact C-N 3.28Å; P159-D161 PolarHBondContact O-N 3.37Å; P159-I162 PolarHBondContact O-N 3.16Å
160R93.6Very high96.3Very high209 Ų20967.2 Ų67.279%0.78933%0.333SS*.G310 helixtrans-70.9-21.6176.1-62.7172.5-71.51750.7113.5D158D158-R160 PolarHBondContact O-N 3.04Å; D158-R160 VanDerWaalsContact OD1-CB 3.27Å; D158-R160 WeakPolarHBondContact OD1-CB 3.49Å; D158-R160 VanDerWaalsContact OD1-CG 3.31Å; D158-R160 WeakPolarHBondContact OD1-CG 3.47Å; D158-R160 IonicContact OD1-CZ 3.76Å; D158-R160 PolarHBondContact OD1-N 3.13Å; D158-R160 IonicContact OD1-NE 2.87Å; D158-R160 PolarHBondContact OD1-NE 3.38Å; D158-R160 IonicContact OD1-NH2 3.8Å; D158-R160 IonicContact OD2-CZ 3.37Å; D158-R160 IonicContact OD2-NE 3.28Å; D158-R160 PolarHBondContact OD2-NE 3.44Å; D158-R160 IonicContact OD2-NH2 2.65Å; D158-R160 PolarHBondContact OD2-NH2 3.44Å
161D94.7Very high96.5Very high86 Ų8661.4 Ų61.446%0.4631%0.306SS..G310 helixtrans-87.8-7.9177.9-65.3-30.2000112.4W99 D158 P159 P163W99-D161 HydrophobicContact CH2-CB 4.34Å; D158-D161 WeakPolarHBondContact O-CB 3.4Å; D158-D161 PolarHBondContact O-N 3.19Å; P159-D161 VanDerWaalsContact C-N 3.28Å; P159-D161 PolarHBondContact O-N 3.37Å; D161-P163 WeakPolarHBondContact O-CD 3.49Å
162I96.7Very high96.6Very high24 Ų2460.1 Ų60.112%0.12330%0.299CS..SBendtrans-86.5113.8179.1-54.9179.9000108.8A148 A149 L157 P159A148-I162 HydrophobicContact CB-CG2 3.62Å; A149-I162 HydrophobicContact CB-CD1 4.43Å; A149-I162 HydrophobicContact CB-CG2 4.32Å; L157-I162 HydrophobicContact CB-CG1 4.24Å; L157-I162 HydrophobicContact CD1-CG1 4.43Å; P159-I162 PolarHBondContact O-N 3.16Å
163P96.9Very high96.6Very high17 Ų1755.1 Ų55.111%0.1128%0.284CS..  trans-77135.6-170.229.6-34.5000112.4W39 H105 D161 E166W39-P163 HydrophobicContact CH2-CG 3.85Å; W39-P163 HydrophobicContact CZ2-CG 3.7Å; W39-P163 HydrophobicContact CZ3-CG 4.32Å; H105-P163 HydrophobicContact CB-CB 4.17Å; H105-P163 HydrophobicContact CB-CG 3.88Å; D161-P163 WeakPolarHBondContact O-CD 3.49Å; P163-E166 HydrophobicContact CB-CG 3.62Å; P163-E166 HydrophobicContact CG-CG 4.04Å
164G96.7Very high96.7Very high20 Ų2052.5 Ų52.521%0.20628%0.275CS..SBendtrans-76-12.4162.100000113H105 G107 M140H105-G164 PolarHBondContact ND1-O 3.46Å; G107-G164 WeakPolarHBondContact CA-O 3.46Å; M140-G164 WeakPolarHBondContact CB-O 3.4Å; M140-G164 PolarHBondContact N-O 2.75Å; M140-G164 WeakPolarHBondContact O-CA 3.38Å
165G97.3Very high96.7Very high8 Ų852.3 Ų52.38%0.08227%0.274CS..  trans167.9148.2-175.500000109.6H105H105-G165 PolarHBondContact ND1-N 3.32Å
166E97.9Very high96.8Very high3 Ų349.5 Ų49.51%0.01425%0.251CS..  trans-134.9149-176.1-66.8-180135.800110.2R104 H105 P137 P163 V170 R174R104-E166 WeakPolarHBondContact CA-OE2 3.42Å; R104-E166 WeakPolarHBondContact CD-O 3.46Å; R104-E166 HydrophobicContact CG-CB 3.63Å; R104-E166 VanDerWaalsContact CG-O 3.23Å; R104-E166 WeakPolarHBondContact CG-O 3.41Å; H105-E166 HydrophobicContact CB-CB 4.14Å; H105-E166 HydrophobicContact CB-CG 3.76Å; H105-E166 PolarHBondContact N-OE2 3.43Å; H105-E166 PolarHBondContact O-N 2.94Å; P137-E166 VanDerWaalsContact CD-O 3.22Å; P137-E166 WeakPolarHBondContact CD-O 3.38Å; P163-E166 HydrophobicContact CB-CG 3.62Å; P163-E166 HydrophobicContact CG-CG 4.04Å; E166-V170 HydrophobicContact CB-CB 4.4Å; E166-V170 HydrophobicContact CB-CG1 4.37Å; E166-V170 HydrophobicContact CG-CB 4.42Å; E166-V170 HydrophobicContact CG-CG1 3.86Å; E166-R174 WeakPolarHBondContact OE1-CD 3.21Å; E166-R174 IonicContact OE1-CZ 2.61Å; E166-R174 IonicContact OE1-NE 2.92Å; E166-R174 PolarHBondContact OE1-NE 2.78Å; E166-R174 IonicContact OE1-NH2 2.78Å; E166-R174 IonicContact OE2-CZ 3.34Å; E166-R174 IonicContact OE2-NE 2.66Å; E166-R174 PolarHBondContact OE2-NE 3.03Å; E166-R174 IonicContact OE2-NH2 3.2Å; E166-R174 PolarHBondContact OE2-NH2 3.06Å
167N96.8Very high96.9Very high8 Ų843.5 Ų43.54%0.04322%0.224CC..  trans-101.4-174.1160.759.126.6000107.9R104 Y133 D134 V135 L136 K169 V170 T171R104-N167 VanDerWaalsContact CD-C 3.43Å; Y133-N167 WeakPolarHBondContact O-CB 3.14Å; D134-N167 WeakPolarHBondContact CA-ND2 3.19Å; D134-N167 PolarHBondContact O-ND2 3.43Å; V135-N167 WeakPolarHBondContact O-CB 3.45Å; L136-N167 HydrophobicContact CD2-CB 4.13Å; N167-K169 WeakPolarHBondContact OD1-CB 3.41Å; N167-K169 PolarHBondContact OD1-N 2.96Å; N167-K169 VanDerWaalsContact OD1-N 3.15Å; N167-V170 WeakPolarHBondContact OD1-CG2 3.41Å; N167-V170 PolarHBondContact OD1-N 2.77Å; N167-T171 PolarHBondContact O-N 3.42Å; N167-T171 PolarHBondContact O-OG1 3.18Å
168L96.7Very high97Very high0 Ų042.8 Ų42.80%022%0.22CC..Hα-helixtrans-72.4-32179.2-170.164.5000112.1Y133 T171 L172 N200 R203 A204 I217Y133-L168 HydrophobicContact CD2-CB 3.99Å; Y133-L168 HydrophobicContact CD2-CD2 4.22Å; Y133-L168 HydrophobicContact CD2-CG 4.21Å; Y133-L168 PolarHBondContact O-N 3.06Å; L168-T171 WeakPolarHBondContact O-CB 3.23Å; L168-T171 PolarHBondContact O-N 3.41Å; L168-L172 PolarHBondContact O-N 3.05Å; L168-N200 HydrophobicContact CD1-CB 3.81Å; L168-N200 WeakPolarHBondContact CD1-O 3.03Å; L168-R203 HydrophobicContact CD1-CB 4.49Å; L168-A204 HydrophobicContact CD1-CB 4.07Å; L168-I217 HydrophobicContact CD2-CB 4.48Å; L168-I217 HydrophobicContact CD2-CG1 3.54Å; L168-I217 HydrophobicContact CD2-CG2 4.06Å
169K97.3Very high97.2Very high87 Ų8740.6 Ų40.638%0.37821%0.207SC..Hα-helixtrans-59-52.4175.5-179.5178.7176.3-179.80112.3Y133 N167 T171 L172 E173Y133-K169 HydrophobicContact CD1-CB 4.21Å; Y133-K169 HydrophobicContact CD2-CB 4.28Å; Y133-K169 HydrophobicContact CE1-CB 3.82Å; Y133-K169 HydrophobicContact CE1-CD 4.1Å; Y133-K169 HydrophobicContact CE1-CG 3.98Å; Y133-K169 HydrophobicContact CE2-CB 3.87Å; Y133-K169 HydrophobicContact CG-CB 4.43Å; Y133-K169 WeakPolarHBondContact O-CB 3.39Å; Y133-K169 PolarHBondContact O-N 2.98Å; N167-K169 WeakPolarHBondContact OD1-CB 3.41Å; N167-K169 PolarHBondContact OD1-N 2.96Å; N167-K169 VanDerWaalsContact OD1-N 3.15Å; K169-T171 VanDerWaalsContact C-N 3.27Å; K169-T171 PolarHBondContact O-N 2.8Å; K169-L172 WeakPolarHBondContact O-CA 3.49Å; K169-L172 WeakPolarHBondContact O-CB 3.14Å; K169-L172 PolarHBondContact O-N 2.81Å; K169-L172 VanDerWaalsContact O-N 3.07Å; K169-E173 WeakPolarHBondContact CE-OE1 3.13Å; K169-E173 WeakPolarHBondContact O-CG 3.33Å; K169-E173 PolarHBondContact O-N 2.81Å
170V97.3Very high97.4Very high43 Ų4340.7 Ų40.726%0.26120%0.199SC..Hα-helixtrans-62.6-37.8177.2176.30000110.7E166 N167 L172 E173 R174E166-V170 HydrophobicContact CB-CB 4.4Å; E166-V170 HydrophobicContact CB-CG1 4.37Å; E166-V170 HydrophobicContact CG-CB 4.42Å; E166-V170 HydrophobicContact CG-CG1 3.86Å; N167-V170 WeakPolarHBondContact OD1-CG2 3.41Å; N167-V170 PolarHBondContact OD1-N 2.77Å; V170-L172 VanDerWaalsContact C-N 3.31Å; V170-L172 PolarHBondContact O-N 2.73Å; V170-E173 PolarHBondContact O-N 3.41Å; V170-R174 PolarHBondContact O-N 3.33Å; V170-R174 VanDerWaalsContact O-N 3.12Å
171T98.1Very high97.6Very high0 Ų036.1 Ų36.10%019%0.19CC..Hα-helixtrans-59.4-43173.6-55.70000111.3N167 L168 K169 R174 A175 N200 A204N167-T171 PolarHBondContact O-N 3.42Å; N167-T171 PolarHBondContact O-OG1 3.18Å; L168-T171 WeakPolarHBondContact O-CB 3.23Å; L168-T171 PolarHBondContact O-N 3.41Å; K169-T171 VanDerWaalsContact C-N 3.27Å; K169-T171 PolarHBondContact O-N 2.8Å; T171-R174 VanDerWaalsContact O-CG 3.24Å; T171-R174 WeakPolarHBondContact O-CG 3.22Å; T171-A175 VanDerWaalsContact O-CB 3.26Å; T171-A175 WeakPolarHBondContact O-CB 3.35Å; T171-A175 PolarHBondContact O-N 2.8Å; T171-N200 HydrophobicContact CG2-CB 4.5Å; T171-A204 HydrophobicContact CG2-CB 4.2Å
172L97.9Very high97.8Very high19 Ų1936 Ų3610%0.09919%0.187CC..Hα-helixtrans-66.6-45.4175.4177.155.2000111.9L168 K169 V170 R174 A175 L176 A204 K207 H208L168-L172 PolarHBondContact O-N 3.05Å; K169-L172 WeakPolarHBondContact O-CA 3.49Å; K169-L172 WeakPolarHBondContact O-CB 3.14Å; K169-L172 PolarHBondContact O-N 2.81Å; K169-L172 VanDerWaalsContact O-N 3.07Å; V170-L172 VanDerWaalsContact C-N 3.31Å; V170-L172 PolarHBondContact O-N 2.73Å; L172-R174 PolarHBondContact O-N 3.33Å; L172-A175 PolarHBondContact O-N 3.01Å; L172-A175 VanDerWaalsContact O-N 3.08Å; L172-L176 HydrophobicContact CD1-CB 4.21Å; L172-L176 VanDerWaalsContact O-CB 3.29Å; L172-L176 WeakPolarHBondContact O-CB 3.29Å; L172-L176 PolarHBondContact O-N 3.15Å; L172-A204 HydrophobicContact CB-CB 3.92Å; L172-A204 HydrophobicContact CD1-CB 4.24Å; L172-A204 WeakPolarHBondContact CD1-O 3.41Å; L172-K207 HydrophobicContact CD2-CD 4.07Å; L172-H208 HydrophobicContact CD1-CB 4.32Å
173E97.9Very high97.9Very high111 Ų11134.9 Ų34.952%0.51918%0.181SC..Hα-helixtrans-55-37.9178.8-73.8169.7174.900112K169 V170 P177K169-E173 WeakPolarHBondContact CE-OE1 3.13Å; K169-E173 WeakPolarHBondContact O-CG 3.33Å; K169-E173 PolarHBondContact O-N 2.81Å; V170-E173 PolarHBondContact O-N 3.41Å; E173-P177 WeakPolarHBondContact O-CD 3.45Å
174R97.7Very high97.9Very high12 Ų1234.5 Ų34.55%0.04518%0.179CC..Hα-helixtrans-83.1-29.8174.868.7165.3166.984.5-5.5114.8W99 R100 N102 E103 E166 V170 T171 L172W99-R174 HydrophobicContact CH2-CB 4.16Å; W99-R174 HydrophobicContact CZ3-CB 4.12Å; W99-R174 HydrophobicContact CZ3-CG 4.38Å; W99-R174 PolarHBondContact O-NH1 3.12Å; R100-R174 VanDerWaalsContact C-NH1 3.29Å; R100-R174 WeakPolarHBondContact CB-O 3.18Å; R100-R174 VanDerWaalsContact CD-O 3.3Å; R100-R174 WeakPolarHBondContact CD-O 3.41Å; R100-R174 WeakPolarHBondContact CG-O 3.29Å; R100-R174 PolarHBondContact NH1-O 2.83Å; R100-R174 PolarHBondContact O-NH1 3.16Å; N102-R174 PolarHBondContact O-NH1 3.35Å; N102-R174 PolarHBondContact O-NH2 3.02Å; E103-R174 PolarHBondContact O-NH2 2.79Å; E166-R174 WeakPolarHBondContact OE1-CD 3.21Å; E166-R174 IonicContact OE1-CZ 2.61Å; E166-R174 IonicContact OE1-NE 2.92Å; E166-R174 PolarHBondContact OE1-NE 2.78Å; E166-R174 IonicContact OE1-NH2 2.78Å; E166-R174 IonicContact OE2-CZ 3.34Å; E166-R174 IonicContact OE2-NE 2.66Å; E166-R174 PolarHBondContact OE2-NE 3.03Å; E166-R174 IonicContact OE2-NH2 3.2Å; E166-R174 PolarHBondContact OE2-NH2 3.06Å; V170-R174 PolarHBondContact O-N 3.33Å; V170-R174 VanDerWaalsContact O-N 3.12Å; T171-R174 VanDerWaalsContact O-CG 3.24Å; T171-R174 WeakPolarHBondContact O-CG 3.22Å; L172-R174 PolarHBondContact O-N 3.33Å
175A98.5Very high98Very high0 Ų036.4 Ų36.40%019%0.188CC..Hα-helixtrans-78.4-32.5-178.100000112T171 L172 F178 W179 L205T171-A175 VanDerWaalsContact O-CB 3.26Å; T171-A175 WeakPolarHBondContact O-CB 3.35Å; T171-A175 PolarHBondContact O-N 2.8Å; L172-A175 PolarHBondContact O-N 3.01Å; L172-A175 VanDerWaalsContact O-N 3.08Å; A175-F178 WeakPolarHBondContact O-CB 3.36Å; A175-F178 PolarHBondContact O-N 3.38Å; A175-F178 VanDerWaalsContact O-N 3.12Å; A175-W179 PolarHBondContact O-N 3.37Å; A175-L205 HydrophobicContact CB-CD2 3.99Å; A175-L205 HydrophobicContact CB-CG 4.37Å
176L98.4Very high98Very high42 Ų4236.3 Ų36.322%0.2219%0.186CC..Hα-helixtrans-62.9-41.5-174.4-173.764.5000113.7L172 F178 W179 Q180 H208L172-L176 HydrophobicContact CD1-CB 4.21Å; L172-L176 VanDerWaalsContact O-CB 3.29Å; L172-L176 WeakPolarHBondContact O-CB 3.29Å; L172-L176 PolarHBondContact O-N 3.15Å; L176-F178 VanDerWaalsContact C-N 3.29Å; L176-F178 PolarHBondContact O-N 3.32Å; L176-W179 WeakPolarHBondContact O-CB 3.4Å; L176-W179 PolarHBondContact O-N 3.42Å; L176-W179 VanDerWaalsContact O-N 3.15Å; L176-Q180 HydrophobicContact CD1-CG 4.44Å; L176-Q180 HydrophobicContact CG-CG 4.44Å; L176-Q180 WeakPolarHBondContact O-CG 3.33Å; L176-Q180 PolarHBondContact O-N 2.78Å; L176-H208 HydrophobicContact CD1-CB 4.3Å
177P98.4Very high98.1Very high35 Ų3536.1 Ų36.123%0.22719%0.185CC..Hα-helixtrans-58.9-39.5172.1-27.936.7000112.8E173 W179 Q180 D181E173-P177 WeakPolarHBondContact O-CD 3.45Å; P177-W179 VanDerWaalsContact C-N 3.32Å; P177-W179 PolarHBondContact O-N 3.25Å; P177-Q180 PolarHBondContact O-N 2.87Å; P177-D181 VanDerWaalsContact O-CB 3.32Å; P177-D181 WeakPolarHBondContact O-CB 3.33Å; P177-D181 VanDerWaalsContact O-CG 3.26Å; P177-D181 PolarHBondContact O-N 2.66Å
178F98.6Very high98Very high17 Ų1742.5 Ų42.58%0.07521%0.212CC..Hα-helixtrans-67.3-34.4177-163.4-104.4000112.2Y70 V96 S98 R100 L101 A175 L176 E182 I183Y70-F178 AromaticContact CD1-CE1 3.69Å; Y70-F178 HydrophobicContact CD1-CE1 3.69Å; Y70-F178 AromaticContact CD1-CZ 3.64Å; Y70-F178 HydrophobicContact CD1-CZ 3.64Å; Y70-F178 HydrophobicContact CE1-CE1 4.38Å; Y70-F178 HydrophobicContact CE1-CZ 4.14Å; Y70-F178 HydrophobicContact CG-CE1 4.09Å; Y70-F178 HydrophobicContact CG-CZ 4.47Å; V96-F178 HydrophobicContact CG1-CZ 4.19Å; S98-F178 WeakPolarHBondContact OG-CD2 3.48Å; S98-F178 WeakPolarHBondContact OG-CE2 3.39Å; R100-F178 HydrophobicContact CB-CB 3.86Å; R100-F178 HydrophobicContact CB-CG 4.25Å; R100-F178 HydrophobicContact CG-CB 4.5Å; L101-F178 HydrophobicContact CD1-CD1 3.97Å; L101-F178 HydrophobicContact CD1-CE1 3.61Å; L101-F178 HydrophobicContact CD2-CD1 4.12Å; L101-F178 HydrophobicContact CG-CD1 3.84Å; L101-F178 HydrophobicContact CG-CE1 3.99Å; A175-F178 WeakPolarHBondContact O-CB 3.36Å; A175-F178 PolarHBondContact O-N 3.38Å; A175-F178 VanDerWaalsContact O-N 3.12Å; L176-F178 VanDerWaalsContact C-N 3.29Å; L176-F178 PolarHBondContact O-N 3.32Å; F178-E182 HydrophobicContact CD2-CB 4.42Å; F178-E182 HydrophobicContact CD2-CG 3.95Å; F178-E182 HydrophobicContact CE1-CB 4.43Å; F178-E182 HydrophobicContact CE2-CB 4.18Å; F178-E182 HydrophobicContact CE2-CG 3.68Å; F178-E182 HydrophobicContact CZ-CB 4.18Å; F178-E182 HydrophobicContact CZ-CG 4.14Å; F178-E182 WeakPolarHBondContact O-CB 3.37Å; F178-E182 PolarHBondContact O-N 2.96Å; F178-E182 VanDerWaalsContact O-N 3.13Å; F178-I183 HydrophobicContact CD1-CD1 3.92Å; F178-I183 HydrophobicContact CD1-CG1 4.17Å; F178-I183 HydrophobicContact CE1-CD1 4.21Å; F178-I183 HydrophobicContact CE1-CG1 4.2Å; F178-I183 PolarHBondContact O-N 3.45Å
179W98.7Very high98Very high12 Ų1247.9 Ų47.95%0.04524%0.242CC..Iπ-helixtrans-62.4-48169.6167.4-97.9000111.9L20 A175 L176 P177 I183 A184 L187 L205 H208 I209 L236L20-W179 HydrophobicContact CD2-CH2 4.04Å; L20-W179 HydrophobicContact CD2-CZ3 3.71Å; A175-W179 PolarHBondContact O-N 3.37Å; L176-W179 WeakPolarHBondContact O-CB 3.4Å; L176-W179 PolarHBondContact O-N 3.42Å; L176-W179 VanDerWaalsContact O-N 3.15Å; P177-W179 VanDerWaalsContact C-N 3.32Å; P177-W179 PolarHBondContact O-N 3.25Å; W179-I183 HydrophobicContact CE3-CB 3.76Å; W179-I183 HydrophobicContact CE3-CD1 4.33Å; W179-I183 HydrophobicContact CE3-CG2 3.47Å; W179-I183 VanDerWaalsContact CE3-CG2 3.47Å; W179-I183 HydrophobicContact CZ3-CB 4.23Å; W179-I183 HydrophobicContact CZ3-CG2 3.44Å; W179-I183 VanDerWaalsContact CZ3-CG2 3.44Å; W179-I183 PolarHBondContact O-N 2.86Å; W179-A184 HydrophobicContact CD2-CB 4.23Å; W179-A184 HydrophobicContact CZ2-CB 4.09Å; W179-A184 WeakPolarHBondContact O-CB 3.28Å; W179-A184 PolarHBondContact O-N 3.09Å; W179-L187 HydrophobicContact CH2-CD1 3.72Å; W179-L187 HydrophobicContact CZ3-CD1 3.94Å; W179-L205 HydrophobicContact CB-CD2 3.78Å; W179-L205 HydrophobicContact CG-CD2 4.43Å; W179-H208 AromaticContact CD1-CD2 3.53Å; W179-H208 AromaticContact CD1-NE2 3.52Å; W179-H208 AromaticContact NE1-CD2 3.34Å; W179-H208 PolarHBondContact NE1-CD2 3.2Å; W179-H208 VanDerWaalsContact NE1-CD2 3.34Å; W179-H208 AromaticContact NE1-NE2 3.24Å; W179-H208 PolarHBondContact NE1-NE2 3.16Å; W179-I209 HydrophobicContact CE3-CD1 4.09Å; W179-I209 HydrophobicContact CH2-CD1 3.59Å; W179-I209 HydrophobicContact CH2-CG1 3.68Å; W179-I209 HydrophobicContact CZ2-CD1 4.17Å; W179-I209 HydrophobicContact CZ2-CG1 3.75Å; W179-I209 HydrophobicContact CZ3-CD1 3.55Å; W179-I209 HydrophobicContact CZ3-CG1 4.08Å; W179-L236 HydrophobicContact CZ2-CD1 4.05Å
180Q98.4Very high97.9Very high102 Ų10246.2 Ų46.248%0.47725%0.249SC..Iπ-helixtrans-69.2-35.7-175.4-71.4173.1-17.300113.4L176 P177 P185L176-Q180 HydrophobicContact CD1-CG 4.44Å; L176-Q180 HydrophobicContact CG-CG 4.44Å; L176-Q180 WeakPolarHBondContact O-CG 3.33Å; L176-Q180 PolarHBondContact O-N 2.78Å; P177-Q180 PolarHBondContact O-N 2.87Å; Q180-P185 WeakPolarHBondContact O-CD 3.43Å; Q180-P185 WeakPolarHBondContact O-CG 3.33Å
181D98.4Very high98Very high112 Ų11247.9 Ų47.960%0.59925%0.253SS*.Iπ-helixtrans-95.3-26-171.7-61.5-23000113.2P177P177-D181 VanDerWaalsContact O-CB 3.32Å; P177-D181 WeakPolarHBondContact O-CB 3.33Å; P177-D181 VanDerWaalsContact O-CG 3.26Å; P177-D181 PolarHBondContact O-N 2.66Å
182E98.6Very high98Very high85 Ų8549 Ų4940%0.39726%0.259SS..Iπ-helixtrans-123.2-56.7-173.7-61-75.1151.800112.9Y70 F178 A186Y70-E182 HydrophobicContact CE1-CB 4.02Å; Y70-E182 PolarHBondContact OH-O 3.45Å; F178-E182 HydrophobicContact CD2-CB 4.42Å; F178-E182 HydrophobicContact CD2-CG 3.95Å; F178-E182 HydrophobicContact CE1-CB 4.43Å; F178-E182 HydrophobicContact CE2-CB 4.18Å; F178-E182 HydrophobicContact CE2-CG 3.68Å; F178-E182 HydrophobicContact CZ-CB 4.18Å; F178-E182 HydrophobicContact CZ-CG 4.14Å; F178-E182 WeakPolarHBondContact O-CB 3.37Å; F178-E182 PolarHBondContact O-N 2.96Å; F178-E182 VanDerWaalsContact O-N 3.13Å; E182-A186 WeakPolarHBondContact O-CB 3.17Å; E182-A186 PolarHBondContact O-N 3.47Å
183I98.7Very high98Very high0 Ų048 Ų480%026%0.255CS..Iπ-helixtrans-72.9-52.9-170.6-57.3172.3000111.7L20 Y70 F178 W179 A186 L187 V193 V195 L205L20-I183 HydrophobicContact CD1-CG2 4.17Å; Y70-I183 HydrophobicContact CD2-CG1 3.86Å; Y70-I183 HydrophobicContact CE2-CG1 4.01Å; Y70-I183 HydrophobicContact CG-CG1 4.24Å; F178-I183 HydrophobicContact CD1-CD1 3.92Å; F178-I183 HydrophobicContact CD1-CG1 4.17Å; F178-I183 HydrophobicContact CE1-CD1 4.21Å; F178-I183 HydrophobicContact CE1-CG1 4.2Å; F178-I183 PolarHBondContact O-N 3.45Å; W179-I183 HydrophobicContact CE3-CB 3.76Å; W179-I183 HydrophobicContact CE3-CD1 4.33Å; W179-I183 HydrophobicContact CE3-CG2 3.47Å; W179-I183 VanDerWaalsContact CE3-CG2 3.47Å; W179-I183 HydrophobicContact CZ3-CB 4.23Å; W179-I183 HydrophobicContact CZ3-CG2 3.44Å; W179-I183 VanDerWaalsContact CZ3-CG2 3.44Å; W179-I183 PolarHBondContact O-N 2.86Å; I183-A186 PolarHBondContact O-N 3.48Å; I183-L187 HydrophobicContact CG2-CD1 4.03Å; I183-L187 WeakPolarHBondContact O-CG 3.5Å; I183-L187 PolarHBondContact O-N 2.89Å; I183-V193 HydrophobicContact CG2-CG1 4.22Å; I183-V195 HydrophobicContact CD1-CG2 4.02Å; I183-V195 HydrophobicContact CG2-CG2 4.47Å; I183-L205 HydrophobicContact CD1-CD1 4.26Å
184A98.4Very high98.1Very high9 Ų942.8 Ų42.87%0.07423%0.23CC..Hα-helixtrans-65-40.7-178.500000112.7W179 L187 K188 L236W179-A184 HydrophobicContact CD2-CB 4.23Å; W179-A184 HydrophobicContact CZ2-CB 4.09Å; W179-A184 WeakPolarHBondContact O-CB 3.28Å; W179-A184 PolarHBondContact O-N 3.09Å; A184-L187 PolarHBondContact O-N 3.25Å; A184-K188 WeakPolarHBondContact O-CB 3.41Å; A184-K188 WeakPolarHBondContact O-CG 3.4Å; A184-K188 PolarHBondContact O-N 3.3Å; A184-L236 HydrophobicContact CB-CD1 3.56Å
185P98.1Very high98.1Very high59 Ų5942.2 Ų42.238%0.38323%0.228SC..Hα-helixtrans-61.1-41.9171.6-27.938.9000112.9Q180 L187 K188 D189Q180-P185 WeakPolarHBondContact O-CD 3.43Å; Q180-P185 WeakPolarHBondContact O-CG 3.33Å; P185-L187 PolarHBondContact O-N 3.01Å; P185-K188 PolarHBondContact O-N 3.49Å; P185-D189 WeakPolarHBondContact O-CB 3.11Å; P185-D189 PolarHBondContact O-N 3.11Å
186A98.2Very high98.2Very high6 Ų642.2 Ų42.25%0.0523%0.228CC..Hα-helixtrans-59.6-46.6175.500000111.8V68 E182 I183 K188 D189 K191 V193V68-A186 HydrophobicContact CG1-CB 4.2Å; E182-A186 WeakPolarHBondContact O-CB 3.17Å; E182-A186 PolarHBondContact O-N 3.47Å; I183-A186 PolarHBondContact O-N 3.48Å; A186-K188 VanDerWaalsContact C-N 3.34Å; A186-K188 PolarHBondContact O-N 3.17Å; A186-D189 WeakPolarHBondContact O-CB 3.37Å; A186-D189 PolarHBondContact O-N 2.93Å; A186-D189 VanDerWaalsContact O-N 3.14Å; A186-K191 HydrophobicContact CB-CB 4.38Å; A186-K191 HydrophobicContact CB-CD 4.07Å; A186-K191 VanDerWaalsContact O-CB 3.25Å; A186-K191 WeakPolarHBondContact O-CB 3.42Å; A186-K191 PolarHBondContact O-N 3.39Å; A186-K191 VanDerWaalsContact O-N 3.12Å; A186-V193 HydrophobicContact CB-CG2 4.01Å
187L98.2Very high98.2Very high0 Ų040.2 Ų40.20%022%0.217CC..Hα-helixtrans-59.9-42.3176.3-71.6164.8000112.3P18 K19 L20 W179 I183 A184 P185 D189 G190 V193 L232 L236P18-L187 HydrophobicContact CB-CB 4.15Å; P18-L187 HydrophobicContact CB-CD2 4.16Å; K19-L187 WeakPolarHBondContact O-CD2 3.24Å; L20-L187 HydrophobicContact CB-CD1 4.27Å; L20-L187 HydrophobicContact CB-CD2 4.02Å; L20-L187 HydrophobicContact CD1-CD1 4.4Å; L20-L187 HydrophobicContact CD2-CD1 4.36Å; W179-L187 HydrophobicContact CH2-CD1 3.72Å; W179-L187 HydrophobicContact CZ3-CD1 3.94Å; I183-L187 HydrophobicContact CG2-CD1 4.03Å; I183-L187 WeakPolarHBondContact O-CG 3.5Å; I183-L187 PolarHBondContact O-N 2.89Å; A184-L187 PolarHBondContact O-N 3.25Å; P185-L187 PolarHBondContact O-N 3.01Å; L187-D189 VanDerWaalsContact C-N 3.26Å; L187-D189 PolarHBondContact O-N 3.46Å; L187-G190 PolarHBondContact O-N 3.42Å; L187-G190 VanDerWaalsContact O-N 3.09Å; L187-V193 HydrophobicContact CD2-CB 4.04Å; L187-V193 HydrophobicContact CD2-CG2 3.75Å; L187-V193 HydrophobicContact CG-CB 4.42Å; L187-V193 HydrophobicContact CG-CG2 3.87Å; L187-L232 HydrophobicContact CD1-CD1 3.91Å; L187-L236 HydrophobicContact CB-CD2 3.86Å; L187-L236 HydrophobicContact CD1-CD2 4.43Å
188K96.6Very high98.2Very high141 Ų14138.6 Ų38.661%0.61321%0.207SC*.Hα-helixtrans-69.8-21.9177.2-73.6-179.7176.4-177.40113.7A184 P185 A186 G190 L236A184-K188 WeakPolarHBondContact O-CB 3.41Å; A184-K188 WeakPolarHBondContact O-CG 3.4Å; A184-K188 PolarHBondContact O-N 3.3Å; P185-K188 PolarHBondContact O-N 3.49Å; A186-K188 VanDerWaalsContact C-N 3.34Å; A186-K188 PolarHBondContact O-N 3.17Å; K188-G190 PolarHBondContact O-N 3.25Å; K188-L236 HydrophobicContact CD-CD1 4.43Å; K188-L236 HydrophobicContact CG-CD1 4.18Å; K188-L236 HydrophobicContact CG-CD2 4.29Å; K188-L236 HydrophobicContact CG-CG 4.3Å
189D96Very high98.1Very high114 Ų11438 Ų3861%0.6121%0.206SC*.THydrogen-bonded Turntrans-81.58.2171.9-164.442.5000112.1P185 A186 L187 K191P185-D189 WeakPolarHBondContact O-CB 3.11Å; P185-D189 PolarHBondContact O-N 3.11Å; A186-D189 WeakPolarHBondContact O-CB 3.37Å; A186-D189 PolarHBondContact O-N 2.93Å; A186-D189 VanDerWaalsContact O-N 3.14Å; L187-D189 VanDerWaalsContact C-N 3.26Å; L187-D189 PolarHBondContact O-N 3.46Å; D189-K191 VanDerWaalsContact C-N 3.33Å; D189-K191 PolarHBondContact O-N 3.3Å; D189-K191 VanDerWaalsContact OD2-CE 3.24Å; D189-K191 WeakPolarHBondContact OD2-CE 3.1Å; D189-K191 IonicContact OD2-NZ 3.32Å; D189-K191 PolarHBondContact OD2-NZ 2.77Å
190G95.9Very high98Very high52 Ų5237.9 Ų37.954%0.53621%0.206SC..THydrogen-bonded Turntrans79.810.717800000114.4L187 K188L187-G190 PolarHBondContact O-N 3.42Å; L187-G190 VanDerWaalsContact O-N 3.09Å; K188-G190 PolarHBondContact O-N 3.25Å
191K97.7Very high98Very high77 Ų7733 Ų3334%0.33518%0.183SC..  trans-78.5140.1178.9-65.9176.5-176.5161.20111.5D67 V68 A186 D189 V193D67-K191 HydrophobicContact CB-CB 3.79Å; D67-K191 HydrophobicContact CB-CD 4.29Å; D67-K191 HydrophobicContact CB-CG 3.82Å; D67-K191 VanDerWaalsContact OD2-CA 3.32Å; D67-K191 WeakPolarHBondContact OD2-CA 3.42Å; V68-K191 HydrophobicContact CG1-CD 4.39Å; A186-K191 HydrophobicContact CB-CB 4.38Å; A186-K191 HydrophobicContact CB-CD 4.07Å; A186-K191 VanDerWaalsContact O-CB 3.25Å; A186-K191 WeakPolarHBondContact O-CB 3.42Å; A186-K191 PolarHBondContact O-N 3.39Å; A186-K191 VanDerWaalsContact O-N 3.12Å; D189-K191 VanDerWaalsContact C-N 3.33Å; D189-K191 PolarHBondContact O-N 3.3Å; D189-K191 VanDerWaalsContact OD2-CE 3.24Å; D189-K191 WeakPolarHBondContact OD2-CE 3.1Å; D189-K191 IonicContact OD2-NZ 3.32Å; D189-K191 PolarHBondContact OD2-NZ 2.77Å; K191-V193 HydrophobicContact CB-CG2 4.38Å
192T98.6Very high98Very high23 Ų2327.7 Ų27.714%0.14116%0.155CC..  trans-84123.7165.1-61.30000109.3K19 I64 E65 F66 D67K19-T192 HydrophobicContact CB-CG2 3.96Å; K19-T192 HydrophobicContact CD-CG2 4.02Å; K19-T192 HydrophobicContact CG-CG2 4.1Å; K19-T192 WeakPolarHBondContact O-CA 3.32Å; I64-T192 HydrophobicContact CG2-CG2 4.01Å; E65-T192 WeakPolarHBondContact O-CB 3.35Å; E65-T192 WeakPolarHBondContact O-CG2 3.32Å; F66-T192 HydrophobicContact CD1-CG2 3.89Å; F66-T192 HydrophobicContact CE1-CG2 4.32Å; D67-T192 PolarHBondContact N-O 2.98Å; D67-T192 PolarHBondContact OD2-N 3.3Å
193V98.9Very high97.9Very high0 Ų024.1 Ų24.10%014%0.138CC..EExtended strand (participates in β ladder)trans-115.1130.6-167.3179.60000111.9K19 L20 V21 V68 Y70 I183 A186 L187 K191 V195K19-V193 PolarHBondContact O-N 3.14Å; L20-V193 HydrophobicContact CD1-CB 4.02Å; L20-V193 HydrophobicContact CD1-CG1 3.96Å; V21-V193 PolarHBondContact N-O 2.8Å; V68-V193 HydrophobicContact CG1-CB 4.42Å; V68-V193 HydrophobicContact CG1-CG1 4.31Å; V68-V193 HydrophobicContact CG1-CG2 3.79Å; Y70-V193 HydrophobicContact CD2-CG1 3.5Å; Y70-V193 HydrophobicContact CE2-CG1 3.61Å; I183-V193 HydrophobicContact CG2-CG1 4.22Å; A186-V193 HydrophobicContact CB-CG2 4.01Å; L187-V193 HydrophobicContact CD2-CB 4.04Å; L187-V193 HydrophobicContact CD2-CG2 3.75Å; L187-V193 HydrophobicContact CG-CB 4.42Å; L187-V193 HydrophobicContact CG-CG2 3.87Å; K191-V193 HydrophobicContact CB-CG2 4.38Å; V193-V195 HydrophobicContact CG1-CG2 4.08Å
194L98.9Very high97.9Very high1 Ų124.1 Ų24.11%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-96.3135.1164.417562.7000110.4V21 F66 V68 A69 Y70 I84 L85V21-L194 HydrophobicContact CB-CD1 4.31Å; V21-L194 HydrophobicContact CG1-CD1 4.14Å; V21-L194 CarbonylContact O-C 3.59Å; V21-L194 WeakPolarHBondContact O-CA 3.46Å; F66-L194 HydrophobicContact CD1-CB 3.72Å; F66-L194 HydrophobicContact CD2-CB 4.24Å; F66-L194 HydrophobicContact CD2-CD2 4.45Å; F66-L194 HydrophobicContact CE1-CB 3.67Å; F66-L194 HydrophobicContact CE1-CD1 4.42Å; F66-L194 HydrophobicContact CE2-CB 4.14Å; F66-L194 HydrophobicContact CE2-CD1 4.45Å; F66-L194 HydrophobicContact CE2-CD2 4.13Å; F66-L194 HydrophobicContact CE2-CG 4.47Å; F66-L194 HydrophobicContact CG-CB 4.03Å; F66-L194 HydrophobicContact CZ-CB 3.88Å; F66-L194 HydrophobicContact CZ-CD1 3.99Å; F66-L194 HydrophobicContact CZ-CD2 4.45Å; F66-L194 HydrophobicContact CZ-CG 4.31Å; V68-L194 PolarHBondContact O-N 2.92Å; A69-L194 CarbonylContact C-O 3.59Å; A69-L194 WeakPolarHBondContact CA-O 3.4Å; A69-L194 HydrophobicContact CB-CB 4.06Å; A69-L194 HydrophobicContact CB-CD2 4.09Å; A69-L194 HydrophobicContact CB-CG 4.36Å; Y70-L194 PolarHBondContact N-O 2.98Å; I84-L194 HydrophobicContact CB-CD2 4.5Å; I84-L194 HydrophobicContact CG2-CD2 3.93Å; L85-L194 HydrophobicContact CD2-CD2 4.17Å; L85-L194 HydrophobicContact CG-CD2 4.34Å
195V98.9Very high97.9Very high0 Ų023.7 Ų23.70%013%0.134CC..EExtended strand (participates in β ladder)trans-12499.9166.3-172.90000109.4L20 V21 F22 S23 Y70 L101 I183 V193 A197 L202L20-V195 HydrophobicContact CD1-CG2 3.8Å; V21-V195 PolarHBondContact O-N 3.14Å; F22-V195 HydrophobicContact CD1-CB 3.71Å; F22-V195 HydrophobicContact CD1-CG1 4.46Å; F22-V195 HydrophobicContact CD1-CG2 4.09Å; F22-V195 HydrophobicContact CE1-CB 3.88Å; F22-V195 HydrophobicContact CE1-CG1 4.38Å; F22-V195 HydrophobicContact CE1-CG2 3.87Å; S23-V195 PolarHBondContact N-O 2.8Å; Y70-V195 HydrophobicContact CD2-CG2 4.43Å; Y70-V195 CarbonylContact O-C 3.42Å; Y70-V195 WeakPolarHBondContact O-CA 3.35Å; L101-V195 HydrophobicContact CD1-CG1 4.03Å; L101-V195 HydrophobicContact CD2-CG1 4.23Å; I183-V195 HydrophobicContact CD1-CG2 4.02Å; I183-V195 HydrophobicContact CG2-CG2 4.47Å; V193-V195 HydrophobicContact CG1-CG2 4.08Å; V195-A197 HydrophobicContact CG1-CB 4.29Å; V195-L202 HydrophobicContact CB-CD2 4.48Å; V195-L202 HydrophobicContact CG1-CD2 3.98Å
196A98.9Very high97.9Very high0 Ų020.9 Ų20.90%012%0.116CC..EExtended strand (participates in β ladder)trans-96102.8176.900000110.2S23 Y70 T71 C81S23-A196 CarbonylContact O-C 3.54Å; S23-A196 VanDerWaalsContact O-CA 3.28Å; S23-A196 WeakPolarHBondContact O-CA 3.33Å; Y70-A196 PolarHBondContact O-N 3.17Å; T71-A196 VanDerWaalsContact CA-O 3.3Å; T71-A196 WeakPolarHBondContact CA-O 3.24Å; T71-A196 VanDerWaalsContact CB-O 3.24Å; T71-A196 WeakPolarHBondContact CB-O 3.3Å; T71-A196 PolarHBondContact OG1-O 3.01Å; C81-A196 HydrophobicContact CB-CB 3.62Å
197A98.8Very high97.8Very high0 Ų021.5 Ų21.50%012%0.117CC..EExtended strand (participates in β ladder)trans-144.5-141.5-169.900000112.7S23 H25 L101 V195 S201 L202S23-A197 PolarHBondContact O-N 3.09Å; H25-A197 PolarHBondContact CD2-O 3.47Å; H25-A197 PolarHBondContact N-O 3.07Å; L101-A197 HydrophobicContact CB-CB 4.42Å; V195-A197 HydrophobicContact CG1-CB 4.29Å; A197-S201 WeakPolarHBondContact CB-OG 3.24Å; A197-L202 HydrophobicContact CB-CD2 3.94Å; A197-L202 HydrophobicContact CB-CG 4.07Å
198H98.5Very high97.8Very high0 Ų025.3 Ų25.30%014%0.135CC..  trans-123.5165.8-168.9-52.8-96.1000111.9H25 S72 R76 L101 E103 N200 S201 L202H25-H198 AromaticContact CD2-CE1 3.83Å; H25-H198 AromaticContact CD2-CG 3.87Å; H25-H198 AromaticContact CD2-ND1 3.18Å; H25-H198 PolarHBondContact CD2-ND1 3.48Å; H25-H198 AromaticContact NE2-ND1 3.43Å; H25-H198 PolarHBondContact NE2-ND1 3.08Å; S72-H198 VanDerWaalsContact CB-NE2 3.27Å; S72-H198 WeakPolarHBondContact CB-NE2 3.01Å; S72-H198 PolarHBondContact OG-NE2 3.22Å; R76-H198 PolarHBondContact NE-CE1 2.81Å; R76-H198 PolarHBondContact NE-ND1 2.78Å; R76-H198 PolarHBondContact NH2-CE1 2.83Å; R76-H198 PolarHBondContact NH2-ND1 2.92Å; L101-H198 PolarHBondContact O-CD2 2.88Å; L101-H198 VanDerWaalsContact O-CD2 3.23Å; E103-H198 HydrophobicContact CB-CB 3.67Å; E103-H198 HydrophobicContact CG-CB 4.15Å; E103-H198 PolarHBondContact N-CD2 2.86Å; E103-H198 VanDerWaalsContact N-CD2 3.26Å; H198-N200 PolarHBondContact O-N 3.24Å; H198-S201 PolarHBondContact N-OG 3.34Å; H198-S201 VanDerWaalsContact N-OG 3.13Å; H198-S201 PolarHBondContact O-N 3.45Å; H198-S201 PolarHBondContact O-OG 2.73Å; H198-S201 VanDerWaalsContact O-OG 3.1Å; H198-L202 WeakPolarHBondContact O-CB 3.31Å; H198-L202 VanDerWaalsContact O-CG 3.24Å; H198-L202 WeakPolarHBondContact O-CG 3.47Å; H198-L202 PolarHBondContact O-N 3.22Å
199G96.6Very high97.8Very high6 Ų619.5 Ų19.56%0.06211%0.11CC..Hα-helixtrans-55.2-50-175.900000112.9R203G199-R203 WeakPolarHBondContact O-CB 3.19Å; G199-R203 WeakPolarHBondContact O-CD 3.49Å; G199-R203 WeakPolarHBondContact O-CG 3.41Å; G199-R203 PolarHBondContact O-N 2.88Å
200N97.2Very high97.9Very high8 Ų817.1 Ų17.14%0.04310%0.096CC..Hα-helixtrans-80.8-31.5-175.8-58.9-72.4000113.3E103 R104 L168 T171 H198 R203 A204E103-N200 WeakPolarHBondContact OE1-CB 3.29Å; E103-N200 PolarHBondContact OE1-N 3.05Å; E103-N200 PolarHBondContact OE1-ND2 3.15Å; R104-N200 HydrophobicContact CB-CB 3.71Å; L168-N200 HydrophobicContact CD1-CB 3.81Å; L168-N200 WeakPolarHBondContact CD1-O 3.03Å; T171-N200 HydrophobicContact CG2-CB 4.5Å; H198-N200 PolarHBondContact O-N 3.24Å; N200-R203 PolarHBondContact OD1-NH1 3.41Å; N200-A204 WeakPolarHBondContact O-CB 3.49Å; N200-A204 PolarHBondContact O-N 2.88Å
201S98.2Very high97.9Very high0 Ų017.8 Ų17.80%010%0.103CC..Hα-helixtrans-66.1-41.617562.70000111.3L101 N102 A197 H198 A204 L205L101-S201 PolarHBondContact O-OG 2.66Å; N102-S201 WeakPolarHBondContact O-CB 3.41Å; A197-S201 WeakPolarHBondContact CB-OG 3.24Å; H198-S201 PolarHBondContact N-OG 3.34Å; H198-S201 VanDerWaalsContact N-OG 3.13Å; H198-S201 PolarHBondContact O-N 3.45Å; H198-S201 PolarHBondContact O-OG 2.73Å; H198-S201 VanDerWaalsContact O-OG 3.1Å; S201-A204 PolarHBondContact O-N 3.25Å; S201-L205 WeakPolarHBondContact O-CG 3.4Å; S201-L205 PolarHBondContact O-N 2.81Å; S201-L205 VanDerWaalsContact O-N 3.07Å
202L98.3Very high97.8Very high0 Ų015.7 Ų15.70%010%0.095CC..Hα-helixtrans-70.8-40.2176.6-64.4176.5000111.8F22 R24 V195 A197 H198 A204 L205 A206 I222F22-L202 HydrophobicContact CB-CD1 4.38Å; F22-L202 HydrophobicContact CB-CD2 4.04Å; F22-L202 HydrophobicContact CD1-CD2 3.93Å; F22-L202 HydrophobicContact CD2-CB 4.33Å; F22-L202 HydrophobicContact CD2-CD2 3.94Å; F22-L202 HydrophobicContact CE1-CD2 4.28Å; F22-L202 HydrophobicContact CE2-CD2 4.34Å; F22-L202 HydrophobicContact CG-CD2 3.72Å; F22-L202 HydrophobicContact CZ-CD2 4.48Å; R24-L202 HydrophobicContact CB-CD1 3.92Å; V195-L202 HydrophobicContact CB-CD2 4.48Å; V195-L202 HydrophobicContact CG1-CD2 3.98Å; A197-L202 HydrophobicContact CB-CD2 3.94Å; A197-L202 HydrophobicContact CB-CG 4.07Å; H198-L202 WeakPolarHBondContact O-CB 3.31Å; H198-L202 VanDerWaalsContact O-CG 3.24Å; H198-L202 WeakPolarHBondContact O-CG 3.47Å; H198-L202 PolarHBondContact O-N 3.22Å; L202-A204 VanDerWaalsContact C-N 3.33Å; L202-A204 PolarHBondContact O-N 3.3Å; L202-L205 PolarHBondContact O-N 3.41Å; L202-A206 VanDerWaalsContact O-CB 3.23Å; L202-A206 WeakPolarHBondContact O-CB 3.43Å; L202-A206 PolarHBondContact O-N 3.02Å; L202-I222 HydrophobicContact CB-CD1 3.54Å; L202-I222 HydrophobicContact CD1-CG2 4.45Å
203R97.2Very high97.7Very high10 Ų1016.3 Ų16.34%0.03810%0.101CC..Hα-helixtrans-60.8-41.7172.5-75.6169.170.1-147.32.9111.9L168 G199 N200 A206 K207 I217 M218 L220 I222L168-R203 HydrophobicContact CD1-CB 4.49Å; G199-R203 WeakPolarHBondContact O-CB 3.19Å; G199-R203 WeakPolarHBondContact O-CD 3.49Å; G199-R203 WeakPolarHBondContact O-CG 3.41Å; G199-R203 PolarHBondContact O-N 2.88Å; N200-R203 PolarHBondContact OD1-NH1 3.41Å; R203-A206 PolarHBondContact O-N 3.39Å; R203-K207 WeakPolarHBondContact O-CB 3.1Å; R203-K207 PolarHBondContact O-N 2.74Å; R203-I217 PolarHBondContact NH2-O 3.09Å; R203-M218 PolarHBondContact NH2-O 3.28Å; R203-L220 HydrophobicContact CB-CD2 4.33Å; R203-L220 VanDerWaalsContact CD-O 3.29Å; R203-L220 WeakPolarHBondContact CD-O 3.43Å; R203-L220 HydrophobicContact CG-CD2 4.11Å; R203-L220 HydrophobicContact CG-CG 4.27Å; R203-L220 PolarHBondContact NE-O 3.19Å; R203-I222 HydrophobicContact CG-CD1 4.17Å; R203-I222 HydrophobicContact CG-CG1 4.32Å
204A97.6Very high97.5Very high0 Ų019.9 Ų19.90%012%0.119CC..Hα-helixtrans-60.8-48.3176.600000111.3L168 T171 L172 N200 S201 L202 K207 H208L168-A204 HydrophobicContact CD1-CB 4.07Å; T171-A204 HydrophobicContact CG2-CB 4.2Å; L172-A204 HydrophobicContact CB-CB 3.92Å; L172-A204 HydrophobicContact CD1-CB 4.24Å; L172-A204 WeakPolarHBondContact CD1-O 3.41Å; N200-A204 WeakPolarHBondContact O-CB 3.49Å; N200-A204 PolarHBondContact O-N 2.88Å; S201-A204 PolarHBondContact O-N 3.25Å; L202-A204 VanDerWaalsContact C-N 3.33Å; L202-A204 PolarHBondContact O-N 3.3Å; A204-K207 WeakPolarHBondContact O-CB 3.27Å; A204-K207 PolarHBondContact O-N 2.87Å; A204-H208 PolarHBondContact O-N 3.1Å
205L98.5Very high97.1Very high1 Ų126.4 Ų26.41%0.00515%0.15CC..Hα-helixtrans-65-42.7176.1-68179.3000112.2F22 L101 A175 W179 I183 S201 L202 K207 H208 I209F22-L205 HydrophobicContact CE1-CD1 4.49Å; F22-L205 HydrophobicContact CE2-CB 4.08Å; F22-L205 HydrophobicContact CZ-CB 3.75Å; F22-L205 HydrophobicContact CZ-CD1 4.12Å; L101-L205 HydrophobicContact CD2-CD1 3.94Å; A175-L205 HydrophobicContact CB-CD2 3.99Å; A175-L205 HydrophobicContact CB-CG 4.37Å; W179-L205 HydrophobicContact CB-CD2 3.78Å; W179-L205 HydrophobicContact CG-CD2 4.43Å; I183-L205 HydrophobicContact CD1-CD1 4.26Å; S201-L205 WeakPolarHBondContact O-CG 3.4Å; S201-L205 PolarHBondContact O-N 2.81Å; S201-L205 VanDerWaalsContact O-N 3.07Å; L202-L205 PolarHBondContact O-N 3.41Å; L205-K207 VanDerWaalsContact C-N 3.29Å; L205-K207 PolarHBondContact O-N 3.24Å; L205-H208 WeakPolarHBondContact O-CB 3.39Å; L205-H208 PolarHBondContact O-N 3.31Å; L205-H208 VanDerWaalsContact O-N 3.09Å; L205-I209 HydrophobicContact CB-CD1 4.35Å; L205-I209 WeakPolarHBondContact O-CD1 3.24Å; L205-I209 VanDerWaalsContact O-CG1 3.26Å; L205-I209 WeakPolarHBondContact O-CG1 3.43Å; L205-I209 PolarHBondContact O-N 3.1Å
206A97.8Very high96.8Very high0 Ų031.2 Ų31.20%018%0.176CC..Hα-helixtrans-59.4-39.2175.500000111.8F22 L202 R203 H208 I209 E210 L220F22-A206 HydrophobicContact CE2-CB 4.43Å; L202-A206 VanDerWaalsContact O-CB 3.23Å; L202-A206 WeakPolarHBondContact O-CB 3.43Å; L202-A206 PolarHBondContact O-N 3.02Å; R203-A206 PolarHBondContact O-N 3.39Å; A206-H208 VanDerWaalsContact C-N 3.3Å; A206-H208 PolarHBondContact O-N 2.98Å; A206-I209 PolarHBondContact O-N 3.3Å; A206-E210 VanDerWaalsContact O-CB 3.25Å; A206-E210 WeakPolarHBondContact O-CB 3.48Å; A206-E210 PolarHBondContact O-N 2.83Å; A206-L220 HydrophobicContact CB-CD2 3.72Å
207K97.4Very high96.5Very high18 Ų1831.2 Ų31.28%0.07818%0.176CC..Hα-helixtrans-53.9-47.3172.5179.6178.1163.958.10111.8Y133 L172 R203 A204 L205 G211 I212 S213 D214 I217Y133-K207 HydrophobicContact CD2-CD 4.48Å; Y133-K207 HydrophobicContact CE2-CD 3.9Å; L172-K207 HydrophobicContact CD2-CD 4.07Å; R203-K207 WeakPolarHBondContact O-CB 3.1Å; R203-K207 PolarHBondContact O-N 2.74Å; A204-K207 WeakPolarHBondContact O-CB 3.27Å; A204-K207 PolarHBondContact O-N 2.87Å; L205-K207 VanDerWaalsContact C-N 3.29Å; L205-K207 PolarHBondContact O-N 3.24Å; K207-G211 WeakPolarHBondContact O-CA 3.42Å; K207-G211 PolarHBondContact O-N 2.98Å; K207-G211 VanDerWaalsContact O-N 3.07Å; K207-I212 HydrophobicContact CG-CB 4.26Å; K207-I212 WeakPolarHBondContact CG-O 3.31Å; K207-I212 PolarHBondContact NZ-O 3.05Å; K207-I212 PolarHBondContact O-N 3.11Å; K207-S213 PolarHBondContact NZ-O 3.47Å; K207-D214 WeakPolarHBondContact CE-OD1 3.3Å; K207-D214 IonicContact NZ-OD1 3.58Å; K207-D214 PolarHBondContact NZ-OD1 3.06Å; K207-I217 HydrophobicContact CB-CD1 3.67Å; K207-I217 HydrophobicContact CB-CG1 4.04Å; K207-I217 HydrophobicContact CD-CB 4.21Å; K207-I217 HydrophobicContact CD-CG1 4.02Å; K207-I217 HydrophobicContact CD-CG2 4.35Å; K207-I217 HydrophobicContact CG-CD1 4.28Å; K207-I217 HydrophobicContact CG-CG1 4.28Å
208H97.4Very high96.1Very high81 Ų8134.3 Ų34.338%0.37519%0.191SC..Hα-helixtrans-66.9-47.9179.4175.362.4000112L172 L176 W179 A204 L205 A206L172-H208 HydrophobicContact CD1-CB 4.32Å; L176-H208 HydrophobicContact CD1-CB 4.3Å; W179-H208 AromaticContact CD1-CD2 3.53Å; W179-H208 AromaticContact CD1-NE2 3.52Å; W179-H208 AromaticContact NE1-CD2 3.34Å; W179-H208 PolarHBondContact NE1-CD2 3.2Å; W179-H208 VanDerWaalsContact NE1-CD2 3.34Å; W179-H208 AromaticContact NE1-NE2 3.24Å; W179-H208 PolarHBondContact NE1-NE2 3.16Å; A204-H208 PolarHBondContact O-N 3.1Å; L205-H208 WeakPolarHBondContact O-CB 3.39Å; L205-H208 PolarHBondContact O-N 3.31Å; L205-H208 VanDerWaalsContact O-N 3.09Å; A206-H208 VanDerWaalsContact C-N 3.3Å; A206-H208 PolarHBondContact O-N 2.98Å
209I97.4Very high95.6Very high18 Ų1840.9 Ų40.99%0.09223%0.226CC..Hα-helixtrans-68.4-40.2-175-64.7161.8000111.6L20 F22 W179 L205 A206 L232 V238L20-I209 HydrophobicContact CD2-CD1 3.88Å; F22-I209 HydrophobicContact CE2-CD1 4.15Å; F22-I209 HydrophobicContact CZ-CD1 3.68Å; W179-I209 HydrophobicContact CE3-CD1 4.09Å; W179-I209 HydrophobicContact CH2-CD1 3.59Å; W179-I209 HydrophobicContact CH2-CG1 3.68Å; W179-I209 HydrophobicContact CZ2-CD1 4.17Å; W179-I209 HydrophobicContact CZ2-CG1 3.75Å; W179-I209 HydrophobicContact CZ3-CD1 3.55Å; W179-I209 HydrophobicContact CZ3-CG1 4.08Å; L205-I209 HydrophobicContact CB-CD1 4.35Å; L205-I209 WeakPolarHBondContact O-CD1 3.24Å; L205-I209 VanDerWaalsContact O-CG1 3.26Å; L205-I209 WeakPolarHBondContact O-CG1 3.43Å; L205-I209 PolarHBondContact O-N 3.1Å; A206-I209 PolarHBondContact O-N 3.3Å; I209-L232 HydrophobicContact CG2-CD2 4.3Å; I209-V238 HydrophobicContact CG2-CG2 3.63Å
210E97.2Very high95.4Very high64 Ų6441.9 Ų41.930%0.29923%0.23SC..Hα-helixtrans-92-3.7-177.6-65174.9-133.400113.1A206 I212 Y230 V238 K241A206-E210 VanDerWaalsContact O-CB 3.25Å; A206-E210 WeakPolarHBondContact O-CB 3.48Å; A206-E210 PolarHBondContact O-N 2.83Å; E210-I212 VanDerWaalsContact C-N 3.31Å; E210-I212 HydrophobicContact CB-CD1 3.9Å; E210-I212 HydrophobicContact CB-CG1 3.72Å; E210-I212 PolarHBondContact O-N 3.11Å; E210-Y230 HydrophobicContact CG-CE1 4.06Å; E210-Y230 VanDerWaalsContact OE1-CE1 3.29Å; E210-Y230 WeakPolarHBondContact OE1-CE1 3.36Å; E210-Y230 PolarHBondContact OE1-OH 3.45Å; E210-V238 HydrophobicContact CG-CG2 4.06Å; E210-K241 WeakPolarHBondContact OE1-CE 3.35Å; E210-K241 IonicContact OE1-NZ 3.63Å; E210-K241 PolarHBondContact OE1-NZ 2.9Å; E210-K241 IonicContact OE2-NZ 3.63Å; E210-K241 PolarHBondContact OE2-NZ 2.8Å
211G96Very high95.2Very high67 Ų6746.7 Ų46.769%0.69125%0.252SS*.THydrogen-bonded Turntrans64.132.6-178.300000113.9K207K207-G211 WeakPolarHBondContact O-CA 3.42Å; K207-G211 PolarHBondContact O-N 2.98Å; K207-G211 VanDerWaalsContact O-N 3.07Å
212I96Very high95.1Very high32 Ų3246.9 Ų46.916%0.16425%0.253CS..  trans-71.4140.1-176.7-55.7169.5000109.4K207 E210 D216 I217 L220K207-I212 HydrophobicContact CG-CB 4.26Å; K207-I212 WeakPolarHBondContact CG-O 3.31Å; K207-I212 PolarHBondContact NZ-O 3.05Å; K207-I212 PolarHBondContact O-N 3.11Å; E210-I212 VanDerWaalsContact C-N 3.31Å; E210-I212 HydrophobicContact CB-CD1 3.9Å; E210-I212 HydrophobicContact CB-CG1 3.72Å; E210-I212 PolarHBondContact O-N 3.11Å; I212-D216 HydrophobicContact CG2-CB 3.67Å; I212-I217 HydrophobicContact CB-CD1 4.45Å; I212-I217 HydrophobicContact CD1-CD1 4.13Å; I212-I217 HydrophobicContact CG2-CB 4.04Å; I212-I217 HydrophobicContact CG2-CD1 4.21Å; I212-L220 HydrophobicContact CD1-CD2 3.86Å
213S96.1Very high95Very high37 Ų3748.7 Ų48.726%0.25927%0.265SS..  trans-68.3173.2177.470.30000112.6K207 E215 D216 I217K207-S213 PolarHBondContact NZ-O 3.47Å; S213-E215 VanDerWaalsContact C-N 3.27Å; S213-E215 WeakPolarHBondContact CB-OE2 3.27Å; S213-E215 PolarHBondContact OG-OE2 3.09Å; S213-D216 VanDerWaalsContact OG-CB 3.28Å; S213-D216 WeakPolarHBondContact OG-CB 3.29Å; S213-D216 PolarHBondContact OG-N 2.84Å; S213-D216 PolarHBondContact OG-OD2 2.85Å; S213-I217 WeakPolarHBondContact O-CB 3.33Å; S213-I217 PolarHBondContact O-N 2.67Å
214D94.1Very high94.9Very high74 Ų7449.7 Ų49.740%0.39627%0.272SS..THydrogen-bonded Turntrans-75-25.3176.6-71.3-3000110.9Y133 K207 I217Y133-D214 HydrophobicContact CD1-CB 3.81Å; Y133-D214 WeakPolarHBondContact CD1-OD2 3.33Å; Y133-D214 HydrophobicContact CE1-CB 4.23Å; Y133-D214 VanDerWaalsContact CE1-OD1 3.28Å; Y133-D214 WeakPolarHBondContact CE1-OD1 3.17Å; Y133-D214 WeakPolarHBondContact CE1-OD2 3.5Å; Y133-D214 HydrophobicContact CG-CB 4.26Å; K207-D214 WeakPolarHBondContact CE-OD1 3.3Å; K207-D214 IonicContact NZ-OD1 3.58Å; K207-D214 PolarHBondContact NZ-OD1 3.06Å; D214-I217 WeakPolarHBondContact O-CG2 3.46Å
215E91Very high94.6Very high139 Ų13950 Ų5065%0.6528%0.275SS*.THydrogen-bonded Turntrans-75.9-51176.4-61.176.7-170.700111.1S213 I217S213-E215 VanDerWaalsContact C-N 3.27Å; S213-E215 WeakPolarHBondContact CB-OE2 3.27Å; S213-E215 PolarHBondContact OG-OE2 3.09Å; E215-I217 VanDerWaalsContact C-N 3.32Å; E215-I217 PolarHBondContact O-N 3.18Å
216D93Very high94.5Very high101 Ų10154 Ų5454%0.5429%0.294SS..G310 helixtrans-74.9-21.6-172.7-60.8-42.5000112.8I212 S213 M218 D219I212-D216 HydrophobicContact CG2-CB 3.67Å; S213-D216 VanDerWaalsContact OG-CB 3.28Å; S213-D216 WeakPolarHBondContact OG-CB 3.29Å; S213-D216 PolarHBondContact OG-N 2.84Å; S213-D216 PolarHBondContact OG-OD2 2.85Å; D216-M218 PolarHBondContact O-N 3.02Å; D216-M218 VanDerWaalsContact O-N 3.16Å; D216-D219 PolarHBondContact O-N 3.38Å
217I93.1Very high94.5Very high0 Ų054 Ų540%029%0.294CS..G310 helixtrans-65.8-20.9-178.3-166.757.6000112.4Y133 L168 R203 K207 I212 S213 D214 E215 D219 L220Y133-I217 HydrophobicContact CD2-CG2 4.19Å; L168-I217 HydrophobicContact CD2-CB 4.48Å; L168-I217 HydrophobicContact CD2-CG1 3.54Å; L168-I217 HydrophobicContact CD2-CG2 4.06Å; R203-I217 PolarHBondContact NH2-O 3.09Å; K207-I217 HydrophobicContact CB-CD1 3.67Å; K207-I217 HydrophobicContact CB-CG1 4.04Å; K207-I217 HydrophobicContact CD-CB 4.21Å; K207-I217 HydrophobicContact CD-CG1 4.02Å; K207-I217 HydrophobicContact CD-CG2 4.35Å; K207-I217 HydrophobicContact CG-CD1 4.28Å; K207-I217 HydrophobicContact CG-CG1 4.28Å; I212-I217 HydrophobicContact CB-CD1 4.45Å; I212-I217 HydrophobicContact CD1-CD1 4.13Å; I212-I217 HydrophobicContact CG2-CB 4.04Å; I212-I217 HydrophobicContact CG2-CD1 4.21Å; S213-I217 WeakPolarHBondContact O-CB 3.33Å; S213-I217 PolarHBondContact O-N 2.67Å; D214-I217 WeakPolarHBondContact O-CG2 3.46Å; E215-I217 VanDerWaalsContact C-N 3.32Å; E215-I217 PolarHBondContact O-N 3.18Å; I217-D219 PolarHBondContact O-N 3.15Å; I217-L220 HydrophobicContact CD1-CB 3.93Å; I217-L220 HydrophobicContact CD1-CD2 3.62Å; I217-L220 HydrophobicContact CD1-CG 4.42Å; I217-L220 PolarHBondContact O-N 3.29Å
218M88.7Confident94.6Very high64 Ų6453.1 Ų53.132%0.31529%0.29SS..G310 helixtrans-59.9-34.9177.3-66.5-16848.600112.2R131 R203 D216R131-M218 HydrophobicContact CB-CE 3.91Å; R131-M218 WeakPolarHBondContact O-CG 3.08Å; R203-M218 PolarHBondContact NH2-O 3.28Å; D216-M218 PolarHBondContact O-N 3.02Å; D216-M218 VanDerWaalsContact O-N 3.16Å
219D89.1Confident94.6Very high139 Ų13949.3 Ų49.374%0.74327%0.273SS*.THydrogen-bonded Turntrans-89.5-15.3-175-65.8-34.3000113.6D216 I217 E221D216-D219 PolarHBondContact O-N 3.38Å; I217-D219 PolarHBondContact O-N 3.15Å; D219-E221 PolarHBondContact O-N 3.44Å
220L92.8Very high94.7Very high26 Ų2648.4 Ų48.414%0.13627%0.268CS..  trans-65.4120.5175.5-177.767.5000110.4R203 A206 I212 I217R203-L220 HydrophobicContact CB-CD2 4.33Å; R203-L220 VanDerWaalsContact CD-O 3.29Å; R203-L220 WeakPolarHBondContact CD-O 3.43Å; R203-L220 HydrophobicContact CG-CD2 4.11Å; R203-L220 HydrophobicContact CG-CG 4.27Å; R203-L220 PolarHBondContact NE-O 3.19Å; A206-L220 HydrophobicContact CB-CD2 3.72Å; I212-L220 HydrophobicContact CD1-CD2 3.86Å; I217-L220 HydrophobicContact CD1-CB 3.93Å; I217-L220 HydrophobicContact CD1-CD2 3.62Å; I217-L220 HydrophobicContact CD1-CG 4.42Å; I217-L220 PolarHBondContact O-N 3.29Å
221E93.2Very high94.7Very high110 Ų11046 Ų4651%0.51426%0.257SS..  trans-120.1133.5171.7-172.3150.8163.300110.9R131 D219R131-E221 IonicContact CZ-OE2 2.61Å; R131-E221 IonicContact NH1-OE2 2.65Å; R131-E221 IonicContact NH2-OE2 2.67Å; R131-E221 PolarHBondContact NH2-OE2 3.45Å; D219-E221 PolarHBondContact O-N 3.44Å
222I95.6Very high94.8Very high3 Ų342.8 Ų42.82%0.01522%0.224CC..  trans-111.5112.6172.1-59.3175.4000106.5R24 L202 R203R24-I222 HydrophobicContact CB-CG2 4.1Å; R24-I222 WeakPolarHBondContact CD-O 3.32Å; R24-I222 PolarHBondContact NH1-O 2.93Å; L202-I222 HydrophobicContact CB-CD1 3.54Å; L202-I222 HydrophobicContact CD1-CG2 4.45Å; R203-I222 HydrophobicContact CG-CD1 4.17Å; R203-I222 HydrophobicContact CG-CG1 4.32Å
223P95.8Very high94.8Very high38 Ų3844.5 Ų44.525%0.24723%0.234CC..  trans-65.6157.1-178.628.4-33.3000111R24 Q226 Y243R24-P223 WeakPolarHBondContact CB-O 3.25Å; P223-Q226 HydrophobicContact CG-CB 4.12Å; P223-Q226 HydrophobicContact CG-CG 4.39Å; P223-Y243 WeakPolarHBondContact CD-OH 3.26Å; P223-Y243 HydrophobicContact CG-CD1 4.38Å; P223-Y243 HydrophobicContact CG-CE1 3.72Å
224T96.2Very high94.7Very high31 Ų3147 Ų4719%0.1924%0.244CC..SBendtrans-72.4146.4174.251.70000110.5R24 H25 E51 Q226R24-T224 HydrophobicContact CG-CG2 4.28Å; H25-T224 WeakPolarHBondContact O-CB 3.32Å; H25-T224 WeakPolarHBondContact O-CG2 3.21Å; E51-T224 WeakPolarHBondContact OE2-CB 3.44Å; E51-T224 PolarHBondContact OE2-OG1 3.29Å; T224-Q226 PolarHBondContact O-N 3.46Å
225G90.3Very high94.7Very high7 Ų748.7 Ų48.77%0.07225%0.253CS..SBendtrans73.3-10.7168.300000117R24 P227R24-G225 PolarHBondContact O-N 2.93Å; G225-P227 WeakPolarHBondContact O-CD 3.41Å
226Q95.8Very high95Very high84 Ų8442.9 Ų42.939%0.39323%0.226SC..  trans-98.5118-179.3-62-176.52.100110.7P223 T224 L228 Y243P223-Q226 HydrophobicContact CG-CB 4.12Å; P223-Q226 HydrophobicContact CG-CG 4.39Å; T224-Q226 PolarHBondContact O-N 3.46Å; Q226-L228 PolarHBondContact O-N 2.82Å; Q226-Y243 HydrophobicContact CB-CD1 3.99Å
227P98.6Very high95.2Very high1 Ų141.1 Ų41.11%0.00622%0.219CC..  trans-62.7127.6173.3-19.932000111.2V21 F22 I59 G225 Y243 L244V21-P227 HydrophobicContact CG1-CB 3.88Å; F22-P227 WeakPolarHBondContact O-CA 3.47Å; I59-P227 HydrophobicContact CD1-CB 3.98Å; I59-P227 HydrophobicContact CD1-CG 4.26Å; I59-P227 HydrophobicContact CG1-CB 4.36Å; I59-P227 HydrophobicContact CG1-CG 4.09Å; G225-P227 WeakPolarHBondContact O-CD 3.41Å; P227-Y243 WeakPolarHBondContact O-CA 3.3Å; P227-L244 HydrophobicContact CB-CB 4.36Å; P227-L244 HydrophobicContact CB-CD1 4.11Å; P227-L244 HydrophobicContact CB-CG 4.43Å; P227-L244 HydrophobicContact CG-CB 4.48Å; P227-L244 PolarHBondContact O-N 2.68Å
228L98.7Very high95.4Very high0 Ų043.4 Ų43.40%023%0.233CC..EExtended strand (participates in β ladder)trans-104.8112.6174.2175.358.1000108.7V21 F22 Q226 Y230 K241 Y243V21-L228 CarbonylContact C-O 3.51Å; V21-L228 WeakPolarHBondContact CA-O 3.34Å; F22-L228 HydrophobicContact CB-CB 4.23Å; F22-L228 PolarHBondContact N-O 3.02Å; F22-L228 PolarHBondContact O-N 3.37Å; Q226-L228 PolarHBondContact O-N 2.82Å; L228-Y230 HydrophobicContact CD2-CE2 3.71Å; L228-Y230 WeakPolarHBondContact CD2-OH 3.4Å; L228-Y230 HydrophobicContact CG-CD2 4.33Å; L228-Y230 HydrophobicContact CG-CE2 3.65Å; L228-K241 HydrophobicContact CD1-CD 4.4Å; L228-K241 HydrophobicContact CD1-CG 3.71Å; L228-Y243 HydrophobicContact CB-CD1 3.97Å; L228-Y243 HydrophobicContact CB-CE1 3.67Å; L228-Y243 HydrophobicContact CD1-CD1 4.08Å; L228-Y243 HydrophobicContact CD1-CD2 4.19Å; L228-Y243 HydrophobicContact CD1-CE1 3.88Å; L228-Y243 HydrophobicContact CD1-CE2 3.99Å; L228-Y243 HydrophobicContact CD1-CG 4.24Å; L228-Y243 HydrophobicContact CD2-CE1 4.3Å; L228-Y243 HydrophobicContact CG-CE1 4.16Å
229V98.7Very high95.8Very high0 Ų042.8 Ų42.80%024%0.239CC..EExtended strand (participates in β ladder)trans-97133.6-177.4-171.40000110K19 V21 I64 K241 Y242 L244K19-V229 HydrophobicContact CD-CG1 4.31Å; K19-V229 HydrophobicContact CG-CG1 4.02Å; V21-V229 HydrophobicContact CG2-CG1 4.31Å; V21-V229 HydrophobicContact CG2-CG2 4.14Å; I64-V229 HydrophobicContact CD1-CG1 4.49Å; I64-V229 HydrophobicContact CD1-CG2 4.02Å; V229-K241 WeakPolarHBondContact O-CA 3.49Å; V229-Y242 HydrophobicContact CB-CD1 4.29Å; V229-Y242 HydrophobicContact CB-CD2 4.27Å; V229-Y242 HydrophobicContact CB-CE1 3.89Å; V229-Y242 HydrophobicContact CB-CE2 3.87Å; V229-Y242 HydrophobicContact CB-CG 4.48Å; V229-Y242 HydrophobicContact CG1-CE1 3.84Å; V229-Y242 HydrophobicContact CG1-CE2 4.29Å; V229-Y242 WeakPolarHBondContact CG1-OH 3.41Å; V229-Y242 HydrophobicContact CG2-CD2 4.5Å; V229-Y242 HydrophobicContact CG2-CE2 3.99Å; V229-Y242 PolarHBondContact N-O 3.37Å; V229-Y242 PolarHBondContact O-N 3.12Å; V229-L244 HydrophobicContact CG2-CD1 3.93Å; V229-L244 HydrophobicContact CG2-CD2 4.24Å; V229-L244 HydrophobicContact CG2-CG 3.81Å
230Y98.6Very high96.2Very high0 Ų041.8 Ų41.80%023%0.227CC..EExtended strand (participates in β ladder)trans-113.8121167.9-64.2-96.6000108.8K19 L20 F22 E210 L228 V238 K240 K241K19-Y230 WeakPolarHBondContact CA-O 3.4Å; L20-Y230 PolarHBondContact N-O 3.14Å; L20-Y230 PolarHBondContact O-N 2.73Å; F22-Y230 AromaticContact CD2-CE2 3.69Å; F22-Y230 HydrophobicContact CD2-CE2 3.69Å; F22-Y230 HydrophobicContact CE2-CE2 4.1Å; F22-Y230 HydrophobicContact CG-CE2 4.14Å; E210-Y230 HydrophobicContact CG-CE1 4.06Å; E210-Y230 VanDerWaalsContact OE1-CE1 3.29Å; E210-Y230 WeakPolarHBondContact OE1-CE1 3.36Å; E210-Y230 PolarHBondContact OE1-OH 3.45Å; L228-Y230 HydrophobicContact CD2-CE2 3.71Å; L228-Y230 WeakPolarHBondContact CD2-OH 3.4Å; L228-Y230 HydrophobicContact CG-CD2 4.33Å; L228-Y230 HydrophobicContact CG-CE2 3.65Å; Y230-V238 HydrophobicContact CD1-CG1 4Å; Y230-V238 HydrophobicContact CD1-CG2 3.84Å; Y230-V238 HydrophobicContact CE1-CG2 4.2Å; Y230-K240 WeakPolarHBondContact CA-O 3.35Å; Y230-K241 HydrophobicContact CD1-CB 4.27Å; Y230-K241 HydrophobicContact CD1-CD 4.49Å; Y230-K241 HydrophobicContact CD1-CG 4.24Å; Y230-K241 HydrophobicContact CE1-CB 4.32Å; Y230-K241 HydrophobicContact CE1-CD 3.74Å; Y230-K241 HydrophobicContact CE1-CG 3.91Å
231D97.9Very high96.5Very high13 Ų1344 Ų447%0.0724%0.236CC..EExtended strand (participates in β ladder)trans-89.9124158.1-58.6-42.6000107M17 K19 A239 K240M17-D231 HydrophobicContact CE-CB 4.27Å; K19-D231 IonicContact NZ-OD1 2.64Å; K19-D231 PolarHBondContact NZ-OD1 3.41Å; D231-A239 WeakPolarHBondContact O-CA 3.43Å; D231-A239 WeakPolarHBondContact O-CB 3.26Å; D231-A239 PolarHBondContact O-N 3.44Å; D231-K240 HydrophobicContact CB-CB 4.03Å; D231-K240 PolarHBondContact N-O 3.03Å; D231-K240 PolarHBondContact O-N 3.34Å
232L98.2Very high96.7Very high0 Ų041.8 Ų41.80%022%0.223CC..EExtended strand (participates in β ladder)trans-110.5152.3-175.3-54.4175.9000110.6P18 L20 L187 I209 L236 T237 V238P18-L232 HydrophobicContact CB-CB 4.27Å; P18-L232 WeakPolarHBondContact CD-O 3.35Å; P18-L232 WeakPolarHBondContact O-CB 3.42Å; P18-L232 PolarHBondContact O-N 3.09Å; L20-L232 HydrophobicContact CB-CD1 4.2Å; L187-L232 HydrophobicContact CD1-CD1 3.91Å; I209-L232 HydrophobicContact CG2-CD2 4.3Å; L232-L236 HydrophobicContact CB-CD2 4.48Å; L232-L236 HydrophobicContact CD1-CB 4.4Å; L232-L236 HydrophobicContact CD1-CD2 4.04Å; L232-T237 CarbonylContact C-O 3.56Å; L232-T237 WeakPolarHBondContact CA-O 3.28Å; L232-V238 HydrophobicContact CD2-CB 4.49Å; L232-V238 HydrophobicContact CD2-CG2 4.01Å
233N96.3Very high96.8Very high67 Ų6745.7 Ų45.736%0.35824%0.239SC..  trans-75.7171.5165.9-63.2-52.7000110.4D235 L236 T237N233-D235 WeakPolarHBondContact CB-OD1 3.46Å; N233-D235 PolarHBondContact O-N 3.36Å; N233-D235 VanDerWaalsContact O-N 3.13Å; N233-L236 WeakPolarHBondContact O-CA 3.48Å; N233-L236 PolarHBondContact O-N 3.18Å; N233-T237 PolarHBondContact N-O 3.33Å; N233-T237 PolarHBondContact ND2-OG1 3.05Å
234D93.3Very high96.9Very high91 Ų9146.6 Ų46.649%0.48724%0.241SC..THydrogen-bonded Turntrans-56-29.6177.3-72.2-1.9000114N15 L236N15-D234 PolarHBondContact ND2-OD1 3.49Å; N15-D234 PolarHBondContact ND2-OD2 3.48Å; D234-L236 PolarHBondContact O-N 2.82Å
235D94.5Very high96.9Very high108 Ų10847.4 Ų47.458%0.57824%0.243SC*.THydrogen-bonded Turntrans-85.55.4176.468.1-2.7000113.3N233 T237N233-D235 WeakPolarHBondContact CB-OD1 3.46Å; N233-D235 PolarHBondContact O-N 3.36Å; N233-D235 VanDerWaalsContact O-N 3.13Å; D235-T237 PolarHBondContact O-N 2.88Å; D235-T237 VanDerWaalsContact OD1-CB 3.3Å; D235-T237 WeakPolarHBondContact OD1-CB 3.43Å; D235-T237 WeakPolarHBondContact OD1-CG2 3.12Å; D235-T237 PolarHBondContact OD1-N 3.36Å; D235-T237 PolarHBondContact OD1-OG1 2.91Å
236L96.8Very high97.3Very high17 Ų1749.5 Ų49.59%0.08925%0.252CS..SBendtrans65.515.1-175.5-52.1-179000115.2P18 W179 A184 L187 K188 L232 N233 D234P18-L236 HydrophobicContact CB-CD2 4.2Å; P18-L236 HydrophobicContact CG-CD2 4.3Å; W179-L236 HydrophobicContact CZ2-CD1 4.05Å; A184-L236 HydrophobicContact CB-CD1 3.56Å; L187-L236 HydrophobicContact CB-CD2 3.86Å; L187-L236 HydrophobicContact CD1-CD2 4.43Å; K188-L236 HydrophobicContact CD-CD1 4.43Å; K188-L236 HydrophobicContact CG-CD1 4.18Å; K188-L236 HydrophobicContact CG-CD2 4.29Å; K188-L236 HydrophobicContact CG-CG 4.3Å; L232-L236 HydrophobicContact CB-CD2 4.48Å; L232-L236 HydrophobicContact CD1-CB 4.4Å; L232-L236 HydrophobicContact CD1-CD2 4.04Å; N233-L236 WeakPolarHBondContact O-CA 3.48Å; N233-L236 PolarHBondContact O-N 3.18Å; D234-L236 PolarHBondContact O-N 2.82Å
237T96.9Very high97.4Very high64 Ų6447.6 Ų47.639%0.39325%0.245SC..  trans-70.4148.8166.659.60000110.7L232 N233 D235 A239L232-T237 CarbonylContact C-O 3.56Å; L232-T237 WeakPolarHBondContact CA-O 3.28Å; N233-T237 PolarHBondContact N-O 3.33Å; N233-T237 PolarHBondContact ND2-OG1 3.05Å; D235-T237 PolarHBondContact O-N 2.88Å; D235-T237 VanDerWaalsContact OD1-CB 3.3Å; D235-T237 WeakPolarHBondContact OD1-CB 3.43Å; D235-T237 WeakPolarHBondContact OD1-CG2 3.12Å; D235-T237 PolarHBondContact OD1-N 3.36Å; D235-T237 PolarHBondContact OD1-OG1 2.91Å; T237-A239 PolarHBondContact O-N 3.5Å
238V97.8Very high97.3Very high49 Ų4950.3 Ų50.330%0.29726%0.259SS..EExtended strand (participates in β ladder)trans-72.9114.7-176.2-1780000110.8I209 E210 Y230 L232 K241I209-V238 HydrophobicContact CG2-CG2 3.63Å; E210-V238 HydrophobicContact CG-CG2 4.06Å; Y230-V238 HydrophobicContact CD1-CG1 4Å; Y230-V238 HydrophobicContact CD1-CG2 3.84Å; Y230-V238 HydrophobicContact CE1-CG2 4.2Å; L232-V238 HydrophobicContact CD2-CB 4.49Å; L232-V238 HydrophobicContact CD2-CG2 4.01Å; V238-K241 HydrophobicContact CG1-CB 4.12Å
239A97.3Very high97.2Very high51 Ų5153.4 Ų53.442%0.42128%0.275SS..EExtended strand (participates in β ladder)trans-84.3-40.7170.500000111D231 T237D231-A239 WeakPolarHBondContact O-CA 3.43Å; D231-A239 WeakPolarHBondContact O-CB 3.26Å; D231-A239 PolarHBondContact O-N 3.44Å; T237-A239 PolarHBondContact O-N 3.5Å
240K97.6Very high97.1Very high117 Ų11757 Ų5751%0.50929%0.293SS..EExtended strand (participates in β ladder)trans-150144.6178.7-164.7-175.5173.5-171.70110.9Y230 D231 Y242Y230-K240 WeakPolarHBondContact CA-O 3.35Å; D231-K240 HydrophobicContact CB-CB 4.03Å; D231-K240 PolarHBondContact N-O 3.03Å; D231-K240 PolarHBondContact O-N 3.34Å; K240-Y242 HydrophobicContact CD-CD1 3.91Å; K240-Y242 HydrophobicContact CD-CE1 4.03Å; K240-Y242 HydrophobicContact CG-CD1 3.98Å; K240-Y242 HydrophobicContact CG-CE1 4.44Å
241K97.7Very high97Very high72 Ų7261.1 Ų61.131%0.31331%0.314SS..EExtended strand (participates in β ladder)trans-133.6128.7175.6176.7-178.2173.7175.10109.6E210 L228 V229 Y230 V238E210-K241 WeakPolarHBondContact OE1-CE 3.35Å; E210-K241 IonicContact OE1-NZ 3.63Å; E210-K241 PolarHBondContact OE1-NZ 2.9Å; E210-K241 IonicContact OE2-NZ 3.63Å; E210-K241 PolarHBondContact OE2-NZ 2.8Å; L228-K241 HydrophobicContact CD1-CD 4.4Å; L228-K241 HydrophobicContact CD1-CG 3.71Å; V229-K241 WeakPolarHBondContact O-CA 3.49Å; Y230-K241 HydrophobicContact CD1-CB 4.27Å; Y230-K241 HydrophobicContact CD1-CD 4.49Å; Y230-K241 HydrophobicContact CD1-CG 4.24Å; Y230-K241 HydrophobicContact CE1-CB 4.32Å; Y230-K241 HydrophobicContact CE1-CD 3.74Å; Y230-K241 HydrophobicContact CE1-CG 3.91Å; V238-K241 HydrophobicContact CG1-CB 4.12Å
242Y98.1Very high96.9Very high64 Ų6464.8 Ų64.825%0.25133%0.333SS..EExtended strand (participates in β ladder)trans-157.3152.3179.660.5-81.1000112.3V229 K240 L244V229-Y242 HydrophobicContact CB-CD1 4.29Å; V229-Y242 HydrophobicContact CB-CD2 4.27Å; V229-Y242 HydrophobicContact CB-CE1 3.89Å; V229-Y242 HydrophobicContact CB-CE2 3.87Å; V229-Y242 HydrophobicContact CB-CG 4.48Å; V229-Y242 HydrophobicContact CG1-CE1 3.84Å; V229-Y242 HydrophobicContact CG1-CE2 4.29Å; V229-Y242 WeakPolarHBondContact CG1-OH 3.41Å; V229-Y242 HydrophobicContact CG2-CD2 4.5Å; V229-Y242 HydrophobicContact CG2-CE2 3.99Å; V229-Y242 PolarHBondContact N-O 3.37Å; V229-Y242 PolarHBondContact O-N 3.12Å; K240-Y242 HydrophobicContact CD-CD1 3.91Å; K240-Y242 HydrophobicContact CD-CE1 4.03Å; K240-Y242 HydrophobicContact CG-CD1 3.98Å; K240-Y242 HydrophobicContact CG-CE1 4.44Å; Y242-L244 HydrophobicContact CD2-CD2 4.15Å; Y242-L244 HydrophobicContact CE2-CD2 3.73Å
243Y98.2Very high96.8Very high86 Ų8670.2 Ų70.234%0.33736%0.36SS..EExtended strand (participates in β ladder)trans-90.5151.3171.6-72.1-81.2000110.8P223 Q226 P227 L228P223-Y243 WeakPolarHBondContact CD-OH 3.26Å; P223-Y243 HydrophobicContact CG-CD1 4.38Å; P223-Y243 HydrophobicContact CG-CE1 3.72Å; Q226-Y243 HydrophobicContact CB-CD1 3.99Å; P227-Y243 WeakPolarHBondContact O-CA 3.3Å; L228-Y243 HydrophobicContact CB-CD1 3.97Å; L228-Y243 HydrophobicContact CB-CE1 3.67Å; L228-Y243 HydrophobicContact CD1-CD1 4.08Å; L228-Y243 HydrophobicContact CD1-CD2 4.19Å; L228-Y243 HydrophobicContact CD1-CE1 3.88Å; L228-Y243 HydrophobicContact CD1-CE2 3.99Å; L228-Y243 HydrophobicContact CD1-CG 4.24Å; L228-Y243 HydrophobicContact CD2-CE1 4.3Å; L228-Y243 HydrophobicContact CG-CE1 4.16Å
244L97.3Very high96.9Very high56 Ų5670.5 Ų70.529%0.29336%0.361SS..  trans-94.50166.3-58.3179.4000111.3K58 I59 A62 I64 P227 V229 Y242K58-L244 HydrophobicContact CB-CB 4.07Å; K58-L244 HydrophobicContact CD-CB 4.39Å; K58-L244 WeakPolarHBondContact CD-O 3.37Å; K58-L244 WeakPolarHBondContact CD-OXT 3.35Å; K58-L244 WeakPolarHBondContact CE-OXT 3.18Å; K58-L244 PolarHBondContact NZ-O 3.28Å; K58-L244 PolarHBondContact NZ-OXT 3.02Å; I59-L244 HydrophobicContact CD1-CD1 3.56Å; I59-L244 HydrophobicContact CG1-CD1 4.33Å; A62-L244 HydrophobicContact CB-CD1 4Å; A62-L244 HydrophobicContact CB-CD2 4.07Å; I64-L244 HydrophobicContact CD1-CD1 3.97Å; P227-L244 HydrophobicContact CB-CB 4.36Å; P227-L244 HydrophobicContact CB-CD1 4.11Å; P227-L244 HydrophobicContact CB-CG 4.43Å; P227-L244 HydrophobicContact CG-CB 4.48Å; P227-L244 PolarHBondContact O-N 2.68Å; V229-L244 HydrophobicContact CG2-CD1 3.93Å; V229-L244 HydrophobicContact CG2-CD2 4.24Å; V229-L244 HydrophobicContact CG2-CG 3.81Å; Y242-L244 HydrophobicContact CD2-CD2 4.15Å; Y242-L244 HydrophobicContact CE2-CD2 3.73Å

Retrieved 244 of 244 residues in 399.8 ms (Link to these results)

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