A0A5K4F157_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4F157, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 773 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
1M30.2Very low73Confident216 Ų21682.8 Ų82.8100%1.06447%0.471SS*.  0127.50-94.8-180167.800110.7E405M1-E405 PolarHBondContact N-OE1 2.99Å; M1-E405 VanDerWaalsContact N-OE1 3.07Å
2A40Very low74.7Confident98 Ų9878.7 Ų78.781%0.8145%0.446SS*.  trans-72.5139169.300000110.7V4A2-V4 PolarHBondContact O-N 3.04Å
3L58.3Low76.2Confident79 Ų7972.7 Ų72.741%0.41441%0.412SS..  trans-66.1119.7173.3-85.4148.4000109.3A5 F15 C16 Y28L3-A5 PolarHBondContact O-N 3.1Å; L3-F15 HydrophobicContact CB-CB 4.27Å; L3-C16 WeakPolarHBondContact CD1-O 3.22Å; L3-Y28 HydrophobicContact CD1-CD1 4.2Å; L3-Y28 HydrophobicContact CD1-CE1 3.79Å; L3-Y28 HydrophobicContact CD2-CE1 3.97Å; L3-Y28 HydrophobicContact CG-CE1 4.46Å
4V64.6Low77.4Confident138 Ų13873.4 Ų73.484%0.83641%0.414SS*.  trans-67.2110.5178.5-179.40000108.3A2A2-V4 PolarHBondContact O-N 3.04Å
5A77.5Confident78.3Confident20 Ų2070.5 Ų70.517%0.16540%0.395CS..  trans-55.3136.5176.800000110.1L3 K7 F15L3-A5 PolarHBondContact O-N 3.1Å; A5-K7 PolarHBondContact O-N 2.68Å; A5-F15 HydrophobicContact CB-CD2 3.57Å; A5-F15 HydrophobicContact CB-CE2 3.91Å
6P86Confident78.9Confident28 Ų2868.4 Ų68.418%0.18239%0.386CS..  trans-54.2140173.4-23.132.3000110.6A8 L9 Q10 F15 I43 Y85P6-A8 PolarHBondContact O-N 3.19Å; P6-L9 CarbonylContact O-C 3.58Å; P6-L9 PolarHBondContact O-N 3.2Å; P6-Q10 PolarHBondContact O-N 3.36Å; P6-F15 HydrophobicContact CG-CZ 4.26Å; P6-I43 HydrophobicContact CG-CD1 3.93Å; P6-Y85 HydrophobicContact CB-CE1 3.58Å; P6-Y85 HydrophobicContact CG-CD1 4.37Å; P6-Y85 HydrophobicContact CG-CE1 3.63Å
7K87.9Confident78.8Confident180 Ų18071.1 Ų71.178%0.78340%0.395SS*.THydrogen-bonded Turntrans-49.8-34.2-176.3-173.5178179.8179.70113.6A5 L9A5-K7 PolarHBondContact O-N 2.68Å; K7-L9 VanDerWaalsContact C-N 3.26Å; K7-L9 PolarHBondContact O-N 2.79Å
8A89.3Confident79Confident37 Ų3770.7 Ų70.731%0.30640%0.395SS..THydrogen-bonded Turntrans-71.2-13.8179.100000115P6 V78 T80 Y85P6-A8 PolarHBondContact O-N 3.19Å; A8-V78 HydrophobicContact CB-CG1 4.03Å; A8-T80 HydrophobicContact CB-CG2 3.77Å; A8-Y85 HydrophobicContact CB-CE2 4.13Å
9L92.8Very high78.9Confident0 Ų071 Ų710%040%0.396CS..THydrogen-bonded Turntrans-123.8-0.9-179-61.1176.4000112.6P6 K7 G11 L12 Y13 F15 I41 V78 Y85P6-L9 CarbonylContact O-C 3.58Å; P6-L9 PolarHBondContact O-N 3.2Å; K7-L9 VanDerWaalsContact C-N 3.26Å; K7-L9 PolarHBondContact O-N 2.79Å; L9-G11 PolarHBondContact O-N 2.87Å; L9-L12 PolarHBondContact O-N 2.68Å; L9-L12 VanDerWaalsContact O-N 3.11Å; L9-Y13 HydrophobicContact CB-CD2 4.21Å; L9-Y13 HydrophobicContact CD2-CD2 3.93Å; L9-Y13 HydrophobicContact CD2-CE2 4.01Å; L9-Y13 PolarHBondContact O-N 3.39Å; L9-F15 HydrophobicContact CB-CE2 4.15Å; L9-F15 HydrophobicContact CD1-CE2 4.14Å; L9-F15 HydrophobicContact CD1-CZ 3.76Å; L9-I41 HydrophobicContact CD1-CD1 4.34Å; L9-I41 HydrophobicContact CD1-CG2 3.95Å; L9-V78 HydrophobicContact CD2-CB 4.4Å; L9-V78 HydrophobicContact CD2-CG2 3.85Å; L9-Y85 HydrophobicContact CD1-CD1 3.61Å; L9-Y85 HydrophobicContact CD1-CE1 4.35Å; L9-Y85 HydrophobicContact CD1-CG 3.91Å; L9-Y85 HydrophobicContact CG-CD1 4.39Å; L9-Y85 HydrophobicContact CG-CG 4.42Å
10Q89.2Confident78.5Confident100 Ų10069.9 Ų69.947%0.46740%0.396SS..BIsolated β-bridgetrans-59.6123-176.9-174.2175.28.400110.3P6 L12P6-Q10 PolarHBondContact O-N 3.36Å; Q10-L12 PolarHBondContact O-N 2.6Å
11G87.7Confident78.1Confident15 Ų1573.9 Ų73.916%0.15541%0.411CS..THydrogen-bonded Turntrans83.4-21.1-178.900000116L9 A33L9-G11 PolarHBondContact O-N 2.87Å; G11-A33 WeakPolarHBondContact O-CB 3.45Å
12L92.9Very high79.7Confident33 Ų3366.1 Ų66.117%0.17339%0.387CS..THydrogen-bonded Turntrans-80.7-34.2174.2-59.7-175.2000111.4L9 Q10 A33 Y314 L546L9-L12 PolarHBondContact O-N 2.68Å; L9-L12 VanDerWaalsContact O-N 3.11Å; Q10-L12 PolarHBondContact O-N 2.6Å; L12-A33 VanDerWaalsContact O-CB 3.24Å; L12-A33 WeakPolarHBondContact O-CB 3.29Å; L12-A33 PolarHBondContact O-N 3Å; L12-Y314 HydrophobicContact CB-CD2 3.89Å; L12-Y314 HydrophobicContact CB-CE2 3.48Å; L12-Y314 VanDerWaalsContact CB-CE2 3.48Å; L12-Y314 HydrophobicContact CD1-CD2 4.05Å; L12-Y314 HydrophobicContact CD1-CE2 4.46Å; L12-Y314 HydrophobicContact CD1-CG 4.33Å; L12-Y314 HydrophobicContact CD2-CD1 3.99Å; L12-Y314 HydrophobicContact CD2-CD2 4.05Å; L12-Y314 HydrophobicContact CD2-CE1 3.86Å; L12-Y314 HydrophobicContact CD2-CE2 3.92Å; L12-Y314 HydrophobicContact CD2-CG 4.08Å; L12-Y314 HydrophobicContact CG-CD2 4.21Å; L12-Y314 HydrophobicContact CG-CE2 4.13Å; L12-Y314 WeakPolarHBondContact O-CE2 3.29Å; L12-Y314 PolarHBondContact O-OH 3.16Å; L12-L546 HydrophobicContact CD2-CD1 4.2Å
13Y94.8Very high80.8Confident1 Ų165.1 Ų65.10%0.00437%0.374CS..EExtended strand (participates in β ladder)trans-136.8141179.7-60.1-87.3000111.6L9 L31 H32 V39 I41 Q76 V87 Y314L9-Y13 HydrophobicContact CB-CD2 4.21Å; L9-Y13 HydrophobicContact CD2-CD2 3.93Å; L9-Y13 HydrophobicContact CD2-CE2 4.01Å; L9-Y13 PolarHBondContact O-N 3.39Å; Y13-L31 CarbonylContact C-O 3.44Å; Y13-L31 WeakPolarHBondContact CA-O 3.37Å; Y13-H32 HydrophobicContact CD1-CB 4.24Å; Y13-H32 HydrophobicContact CE1-CB 4.04Å; Y13-H32 AromaticContact CE1-CD2 3.46Å; Y13-H32 VanDerWaalsContact CE1-CD2 3.46Å; Y13-H32 WeakPolarHBondContact CE1-CD2 3.28Å; Y13-H32 AromaticContact CZ-CD2 3.78Å; Y13-V39 HydrophobicContact CD1-CG2 3.7Å; Y13-V39 HydrophobicContact CE1-CG2 3.83Å; Y13-I41 HydrophobicContact CD1-CD1 3.9Å; Y13-I41 HydrophobicContact CD2-CD1 4.3Å; Y13-I41 HydrophobicContact CG-CD1 3.75Å; Y13-Q76 VanDerWaalsContact CE2-OE1 3.26Å; Y13-Q76 PolarHBondContact OH-OE1 3.14Å; Y13-V87 HydrophobicContact CE1-CG1 3.69Å; Y13-V87 HydrophobicContact CE1-CG2 4.25Å; Y13-V87 HydrophobicContact CE2-CG2 4.06Å; Y13-Y314 AromaticContact CE2-CD2 3.97Å; Y13-Y314 HydrophobicContact CE2-CD2 3.97Å; Y13-Y314 AromaticContact CE2-CE2 3.88Å; Y13-Y314 HydrophobicContact CE2-CE2 3.88Å; Y13-Y314 AromaticContact CZ-CE2 3.92Å
14L92.1Very high81.6Confident83 Ų8364.1 Ų64.144%0.43537%0.367SS..EExtended strand (participates in β ladder)trans-101.6107.1173.4-57.3177.6000108.9A30 L31L14-A30 CarbonylContact O-C 3.58Å; L14-A30 WeakPolarHBondContact O-CA 3.39Å; L14-A30 WeakPolarHBondContact O-CB 3.36Å; L14-L31 HydrophobicContact CB-CB 4.31Å; L14-L31 PolarHBondContact N-O 3.2Å; L14-L31 PolarHBondContact O-N 3.05Å
15F91.4Very high82.4Confident29 Ų2958.2 Ų58.213%0.12733%0.333CS..EExtended strand (participates in β ladder)trans-70.2132.8-176.9-81.2-103.1000111.9L3 A5 P6 L9 Y28 I41 I43L3-F15 HydrophobicContact CB-CB 4.27Å; A5-F15 HydrophobicContact CB-CD2 3.57Å; A5-F15 HydrophobicContact CB-CE2 3.91Å; P6-F15 HydrophobicContact CG-CZ 4.26Å; L9-F15 HydrophobicContact CB-CE2 4.15Å; L9-F15 HydrophobicContact CD1-CE2 4.14Å; L9-F15 HydrophobicContact CD1-CZ 3.76Å; F15-Y28 HydrophobicContact CD1-CD1 4.06Å; F15-Y28 HydrophobicContact CD1-CD2 4.29Å; F15-Y28 AromaticContact CD1-CG 3.8Å; F15-Y28 HydrophobicContact CD1-CG 3.8Å; F15-Y28 HydrophobicContact CE1-CD2 4.08Å; F15-Y28 AromaticContact CE1-CG 3.98Å; F15-Y28 HydrophobicContact CE1-CG 3.98Å; F15-I41 HydrophobicContact CE1-CB 4.37Å; F15-I41 HydrophobicContact CE1-CD1 4.26Å; F15-I41 HydrophobicContact CE1-CG2 4.43Å; F15-I41 HydrophobicContact CE2-CD1 4.18Å; F15-I41 HydrophobicContact CZ-CB 4.45Å; F15-I41 HydrophobicContact CZ-CD1 3.76Å; F15-I41 HydrophobicContact CZ-CG2 4.2Å; F15-I43 HydrophobicContact CE1-CD1 3.96Å; F15-I43 HydrophobicContact CZ-CD1 4.3Å
16C87.3Confident82.7Confident38 Ų3859 Ų5926%0.25734%0.336SS..EExtended strand (participates in β ladder)trans-106-152172.1-55.70000108.3L3 V29L3-C16 WeakPolarHBondContact CD1-O 3.22Å; C16-V29 WeakPolarHBondContact CA-O 3.47Å; C16-V29 HydrophobicContact CB-CB 3.98Å; C16-V29 HydrophobicContact CB-CG1 4.2Å; C16-V29 WeakPolarHBondContact CB-O 3.43Å; C16-V29 PolarHBondContact N-O 3.28Å
17E78.2Confident82.8Confident114 Ų11460 Ų6053%0.53334%0.339SS..EExtended strand (participates in β ladder)trans-64.2151.8178.461.8-86.1-166.700114.7V29E17-V29 PolarHBondContact O-N 3.04Å
18P81.5Confident83Confident63 Ų6353.4 Ų53.441%0.40931%0.31SS..EExtended strand (participates in β ladder)trans-65.8132.1163.928.3-33.5000110.4V26 L27 Y28P18-V26 HydrophobicContact CB-CG1 4.06Å; P18-L27 CarbonylContact C-O 3.54Å; P18-Y28 HydrophobicContact CB-CD1 3.93Å; P18-Y28 HydrophobicContact CB-CE1 3.72Å; P18-Y28 HydrophobicContact CG-CE1 4.32Å
19L78.5Confident83.1Confident77 Ų7751.7 Ų51.740%0.40330%0.296SS..EExtended strand (participates in β ladder)trans-80.7-49.1173.3-73.4173.2000111.9L27 V29 A40 Y90L19-L27 HydrophobicContact CB-CB 4.38Å; L19-L27 HydrophobicContact CB-CD2 4.08Å; L19-L27 HydrophobicContact CB-CG 4.17Å; L19-L27 HydrophobicContact CD1-CD2 3.98Å; L19-L27 HydrophobicContact CD1-CG 4.09Å; L19-L27 PolarHBondContact N-O 3.26Å; L19-V29 HydrophobicContact CD1-CG2 3.8Å; L19-V29 HydrophobicContact CD2-CG2 3.42Å; L19-V29 VanDerWaalsContact CD2-CG2 3.42Å; L19-V29 HydrophobicContact CG-CG2 3.51Å; L19-A40 HydrophobicContact CD1-CB 4.39Å; L19-Y90 HydrophobicContact CD1-CD2 4.15Å; L19-Y90 HydrophobicContact CD1-CE2 4.04Å; L19-Y90 HydrophobicContact CD2-CE2 4.16Å
20A70.8Confident83.2Confident49 Ų4951.7 Ų51.741%0.40530%0.296SS..EExtended strand (participates in β ladder)trans-154150.4-171.900000111.9V26 L27A20-V26 WeakPolarHBondContact O-CG1 3.44Å; A20-L27 HydrophobicContact CB-CB 4.28Å; A20-L27 PolarHBondContact N-O 3.48Å; A20-L27 PolarHBondContact O-N 2.83Å
21E69.7Low83.5Confident153 Ų15349.4 Ų49.472%0.71529%0.286SS*.EExtended strand (participates in β ladder)trans-113.1128172.6-66.1179.5172.700109.1V26E21-V26 HydrophobicContact CG-CG1 4.2Å; E21-V26 HydrophobicContact CG-CG2 4.23Å
22G64.3Low83.8Confident53 Ų5348.7 Ų48.755%0.54628%0.279SS..EExtended strand (participates in β ladder)trans-115.6174.5177.400000112.3F24 G25G22-F24 PolarHBondContact O-N 3.16Å; G22-G25 PolarHBondContact N-O 3.16Å; G22-G25 PolarHBondContact O-N 2.8Å; G22-G25 VanDerWaalsContact O-O 3.1Å
23S62.7Low83.8Confident78 Ų7847.9 Ų47.955%0.54528%0.277SS..THydrogen-bonded Turntrans-58-34.4-178.649.40000114
24F74.6Confident83.8Confident58 Ų5848.2 Ų48.225%0.25428%0.279SS..THydrogen-bonded Turntrans-107.6-4.5-173.3-51.4-61.8000114G22 L44 D45 K48 L49 D52G22-F24 PolarHBondContact O-N 3.16Å; F24-L44 HydrophobicContact CB-CD2 4.17Å; F24-D45 PolarHBondContact O-N 3.49Å; F24-K48 HydrophobicContact CD1-CB 4.38Å; F24-K48 WeakPolarHBondContact CD1-O 3.4Å; F24-L49 HydrophobicContact CB-CD2 3.73Å; F24-L49 HydrophobicContact CB-CG 4.18Å; F24-L49 HydrophobicContact CD1-CD2 3.97Å; F24-L49 HydrophobicContact CD1-CG 4.49Å; F24-L49 HydrophobicContact CD2-CD2 3.91Å; F24-L49 HydrophobicContact CG-CD2 3.59Å; F24-L49 HydrophobicContact CG-CG 4.36Å; F24-D52 HydrophobicContact CZ-CB 4.22Å; F24-D52 WeakPolarHBondContact CZ-OD2 3.41Å
25G81.1Confident83.9Confident13 Ų1344.7 Ų44.713%0.13426%0.261CS..EExtended strand (participates in β ladder)trans178.4-175.9-162.300000116G22 I43G22-G25 PolarHBondContact N-O 3.16Å; G22-G25 PolarHBondContact O-N 2.8Å; G22-G25 VanDerWaalsContact O-O 3.1Å; G25-I43 CarbonylContact C-O 3.54Å; G25-I43 WeakPolarHBondContact CA-O 3.16Å
26V83.9Confident84.1Confident36 Ų3648.7 Ų48.722%0.21828%0.275CS..EExtended strand (participates in β ladder)trans-134139.6-179.2-174.30000109.1P18 A20 E21 Y28 I43P18-V26 HydrophobicContact CB-CG1 4.06Å; A20-V26 WeakPolarHBondContact O-CG1 3.44Å; E21-V26 HydrophobicContact CG-CG1 4.2Å; E21-V26 HydrophobicContact CG-CG2 4.23Å; V26-Y28 HydrophobicContact CB-CD2 4.38Å; V26-Y28 HydrophobicContact CB-CE2 3.71Å; V26-Y28 HydrophobicContact CG1-CD2 4Å; V26-Y28 HydrophobicContact CG1-CE1 4.46Å; V26-Y28 HydrophobicContact CG1-CE2 3.43Å; V26-Y28 VanDerWaalsContact CG1-CE2 3.43Å; V26-I43 PolarHBondContact N-O 3.33Å; V26-I43 PolarHBondContact O-N 3.23Å
27L88.2Confident84.4Confident49 Ų4949.4 Ų49.426%0.25728%0.275SS..EExtended strand (participates in β ladder)trans-100.8129.9174.5-172.370.4000109P18 L19 A20 A40 I41 K42P18-L27 CarbonylContact C-O 3.54Å; L19-L27 HydrophobicContact CB-CB 4.38Å; L19-L27 HydrophobicContact CB-CD2 4.08Å; L19-L27 HydrophobicContact CB-CG 4.17Å; L19-L27 HydrophobicContact CD1-CD2 3.98Å; L19-L27 HydrophobicContact CD1-CG 4.09Å; L19-L27 PolarHBondContact N-O 3.26Å; A20-L27 HydrophobicContact CB-CB 4.28Å; A20-L27 PolarHBondContact N-O 3.48Å; A20-L27 PolarHBondContact O-N 2.83Å; L27-A40 HydrophobicContact CD1-CB 4.13Å; L27-I41 WeakPolarHBondContact CA-O 3.45Å; L27-K42 HydrophobicContact CD1-CB 3.84Å; L27-K42 HydrophobicContact CD1-CG 4.36Å
28Y91.8Very high85.2Confident43 Ų4349 Ų4917%0.16927%0.271CS..EExtended strand (participates in β ladder)trans-118.8150178.4-71.5-91.9000111.9L3 F15 P18 V26 A40 I41 I43L3-Y28 HydrophobicContact CD1-CD1 4.2Å; L3-Y28 HydrophobicContact CD1-CE1 3.79Å; L3-Y28 HydrophobicContact CD2-CE1 3.97Å; L3-Y28 HydrophobicContact CG-CE1 4.46Å; F15-Y28 HydrophobicContact CD1-CD1 4.06Å; F15-Y28 HydrophobicContact CD1-CD2 4.29Å; F15-Y28 AromaticContact CD1-CG 3.8Å; F15-Y28 HydrophobicContact CD1-CG 3.8Å; F15-Y28 HydrophobicContact CE1-CD2 4.08Å; F15-Y28 AromaticContact CE1-CG 3.98Å; F15-Y28 HydrophobicContact CE1-CG 3.98Å; P18-Y28 HydrophobicContact CB-CD1 3.93Å; P18-Y28 HydrophobicContact CB-CE1 3.72Å; P18-Y28 HydrophobicContact CG-CE1 4.32Å; V26-Y28 HydrophobicContact CB-CD2 4.38Å; V26-Y28 HydrophobicContact CB-CE2 3.71Å; V26-Y28 HydrophobicContact CG1-CD2 4Å; V26-Y28 HydrophobicContact CG1-CE1 4.46Å; V26-Y28 HydrophobicContact CG1-CE2 3.43Å; V26-Y28 VanDerWaalsContact CG1-CE2 3.43Å; Y28-A40 CarbonylContact O-C 3.58Å; Y28-A40 WeakPolarHBondContact O-CA 3.36Å; Y28-I41 PolarHBondContact N-O 3.43Å; Y28-I41 PolarHBondContact O-N 3.38Å; Y28-I43 HydrophobicContact CD2-CD1 3.82Å; Y28-I43 HydrophobicContact CD2-CG1 4.21Å; Y28-I43 HydrophobicContact CE2-CD1 3.84Å; Y28-I43 HydrophobicContact CE2-CG1 4.45Å
29V92.1Very high85.9Confident1 Ų146 Ų461%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-75.5139.2153.7-173.60000107.9C16 E17 L19 K38 Y90C16-V29 WeakPolarHBondContact CA-O 3.47Å; C16-V29 HydrophobicContact CB-CB 3.98Å; C16-V29 HydrophobicContact CB-CG1 4.2Å; C16-V29 WeakPolarHBondContact CB-O 3.43Å; C16-V29 PolarHBondContact N-O 3.28Å; E17-V29 PolarHBondContact O-N 3.04Å; L19-V29 HydrophobicContact CD1-CG2 3.8Å; L19-V29 HydrophobicContact CD2-CG2 3.42Å; L19-V29 VanDerWaalsContact CD2-CG2 3.42Å; L19-V29 HydrophobicContact CG-CG2 3.51Å; V29-K38 HydrophobicContact CG1-CD 4.19Å; V29-K38 HydrophobicContact CG1-CG 4.25Å; V29-Y90 HydrophobicContact CG1-CE2 4.49Å; V29-Y90 HydrophobicContact CG2-CD2 4.25Å; V29-Y90 HydrophobicContact CG2-CE2 3.71Å
30A94.1Very high86.7Confident0 Ų042.6 Ų42.60%024%0.235CC..EExtended strand (participates in β ladder)trans-139.5161.1164.300000110.9L14 K38 V39 I41L14-A30 CarbonylContact O-C 3.58Å; L14-A30 WeakPolarHBondContact O-CA 3.39Å; L14-A30 WeakPolarHBondContact O-CB 3.36Å; A30-K38 CarbonylContact O-C 3.58Å; A30-K38 WeakPolarHBondContact O-CA 3.47Å; A30-V39 HydrophobicContact CB-CG2 4.13Å; A30-V39 PolarHBondContact N-O 2.99Å; A30-V39 WeakPolarHBondContact O-CG2 3.39Å; A30-V39 PolarHBondContact O-N 3.02Å; A30-I41 HydrophobicContact CB-CD1 3.56Å; A30-I41 HydrophobicContact CB-CG1 4.08Å
31L95.3Very high87.8Confident51 Ų5140.3 Ų40.327%0.26722%0.216SC..EExtended strand (participates in β ladder)trans-98126.5167.2-59173000109.3Y13 L14 A33 Q37 K38Y13-L31 CarbonylContact C-O 3.44Å; Y13-L31 WeakPolarHBondContact CA-O 3.37Å; L14-L31 HydrophobicContact CB-CB 4.31Å; L14-L31 PolarHBondContact N-O 3.2Å; L14-L31 PolarHBondContact O-N 3.05Å; L31-A33 PolarHBondContact O-N 3.03Å; L31-Q37 CarbonylContact C-O 3.57Å; L31-Q37 WeakPolarHBondContact CA-O 3.41Å; L31-K38 HydrophobicContact CD2-CB 4.49Å; L31-K38 HydrophobicContact CD2-CG 3.59Å
32H95.4Very high88.9Confident0 Ų035 Ų350%019%0.191CC..EExtended strand (participates in β ladder)trans-65.1122.6169.2-179.8-120.2000109.5Y13 V34 T35 R36 Q37 V39 Y314 T318 I321Y13-H32 HydrophobicContact CD1-CB 4.24Å; Y13-H32 HydrophobicContact CE1-CB 4.04Å; Y13-H32 AromaticContact CE1-CD2 3.46Å; Y13-H32 VanDerWaalsContact CE1-CD2 3.46Å; Y13-H32 WeakPolarHBondContact CE1-CD2 3.28Å; Y13-H32 AromaticContact CZ-CD2 3.78Å; H32-V34 VanDerWaalsContact C-N 3.33Å; H32-V34 WeakPolarHBondContact CE1-CG2 3.19Å; H32-V34 PolarHBondContact O-N 3.38Å; H32-T35 WeakPolarHBondContact ND1-CG2 3.35Å; H32-T35 PolarHBondContact ND1-OG1 3.38Å; H32-R36 VanDerWaalsContact O-CA 3.28Å; H32-R36 WeakPolarHBondContact O-CA 3.41Å; H32-R36 PolarHBondContact O-N 3.15Å; H32-Q37 PolarHBondContact N-O 3.46Å; H32-V39 HydrophobicContact CB-CG1 4.39Å; H32-Y314 AromaticContact CD2-CE2 3.41Å; H32-Y314 VanDerWaalsContact CD2-CE2 3.41Å; H32-Y314 WeakPolarHBondContact CD2-CE2 3.25Å; H32-Y314 AromaticContact CD2-CZ 3.75Å; H32-Y314 AromaticContact NE2-CD2 3.89Å; H32-Y314 AromaticContact NE2-CE1 3.98Å; H32-Y314 AromaticContact NE2-CE2 3.12Å; H32-Y314 WeakPolarHBondContact NE2-CE2 3.37Å; H32-Y314 AromaticContact NE2-CZ 3.19Å; H32-Y314 PolarHBondContact NE2-OH 3.1Å; H32-T318 PolarHBondContact CE1-OG1 2.96Å; H32-T318 VanDerWaalsContact CE1-OG1 3.25Å; H32-T318 PolarHBondContact NE2-OG1 3.2Å; H32-I321 HydrophobicContact CB-CD1 4.04Å
33A92.8Very high90.3Very high16 Ų1633.6 Ų33.613%0.13217%0.17CC..THydrogen-bonded Turntrans-61.9-36.5-16100000114.4G11 L12 L31 R36G11-A33 WeakPolarHBondContact O-CB 3.45Å; L12-A33 VanDerWaalsContact O-CB 3.24Å; L12-A33 WeakPolarHBondContact O-CB 3.29Å; L12-A33 PolarHBondContact O-N 3Å; L31-A33 PolarHBondContact O-N 3.03Å; A33-R36 WeakPolarHBondContact O-CD 3.48Å; A33-R36 PolarHBondContact O-NE 2.89Å; A33-R36 PolarHBondContact O-NH1 3.34Å
34V93.6Very high91.6Very high9 Ų930.4 Ų30.46%0.05515%0.147CC..THydrogen-bonded Turntrans-93.5-32.3-172.8-58.40000114.3H32 Y295 Y314 T318 L335H32-V34 VanDerWaalsContact C-N 3.33Å; H32-V34 WeakPolarHBondContact CE1-CG2 3.19Å; H32-V34 PolarHBondContact O-N 3.38Å; V34-Y295 HydrophobicContact CG1-CE1 3.95Å; V34-Y295 HydrophobicContact CG1-CE2 4.28Å; V34-Y295 VanDerWaalsContact CG1-OH 3.22Å; V34-Y295 WeakPolarHBondContact CG1-OH 3.4Å; V34-Y314 HydrophobicContact CG2-CE1 4.46Å; V34-T318 HydrophobicContact CG2-CG2 3.99Å; V34-L335 HydrophobicContact CB-CD2 4.16Å; V34-L335 HydrophobicContact CG2-CD2 4.01Å
35T95.1Very high92.3Very high8 Ų828.3 Ų28.35%0.04914%0.139CC..THydrogen-bonded Turntrans-91.3-15.2175.464.90000113.3H32 Q37 T318 I321 M322 I333 L335H32-T35 WeakPolarHBondContact ND1-CG2 3.35Å; H32-T35 PolarHBondContact ND1-OG1 3.38Å; T35-Q37 PolarHBondContact O-N 2.9Å; T35-Q37 PolarHBondContact OG1-N 3.35Å; T35-T318 HydrophobicContact CG2-CG2 4.25Å; T35-I321 HydrophobicContact CG2-CG2 4.14Å; T35-I321 WeakPolarHBondContact OG1-CG2 3.39Å; T35-M322 HydrophobicContact CG2-CG 3.7Å; T35-M322 HydrophobicContact CG2-SD 4.35Å; T35-I333 HydrophobicContact CG2-CD1 4.41Å; T35-I333 HydrophobicContact CG2-CG2 4.43Å; T35-L335 HydrophobicContact CG2-CD2 3.81Å
36R94.2Very high92.8Very high114 Ų11430 Ų3043%0.4314%0.142SC..  trans62.79.1-173.2-55.1-57.3-171.4-178.5-1.8115.8H32 A33 Q336H32-R36 VanDerWaalsContact O-CA 3.28Å; H32-R36 WeakPolarHBondContact O-CA 3.41Å; H32-R36 PolarHBondContact O-N 3.15Å; A33-R36 WeakPolarHBondContact O-CD 3.48Å; A33-R36 PolarHBondContact O-NE 2.89Å; A33-R36 PolarHBondContact O-NH1 3.34Å; R36-Q336 VanDerWaalsContact CZ-OE1 3.31Å
37Q95.3Very high93Very high53 Ų5337 Ų3725%0.24817%0.165CC..  trans-80.8149.9-179.3-64.5-63.5-100112.8L31 H32 T35 I321 V325 I333L31-Q37 CarbonylContact C-O 3.57Å; L31-Q37 WeakPolarHBondContact CA-O 3.41Å; H32-Q37 PolarHBondContact N-O 3.46Å; T35-Q37 PolarHBondContact O-N 2.9Å; T35-Q37 PolarHBondContact OG1-N 3.35Å; Q37-I321 HydrophobicContact CB-CG2 3.66Å; Q37-I321 HydrophobicContact CG-CG2 3.89Å; Q37-V325 HydrophobicContact CG-CG2 3.93Å; Q37-I333 HydrophobicContact CG-CD1 3.71Å
38K94.5Very high92.8Very high104 Ų10440.7 Ų40.745%0.45218%0.179SC..EExtended strand (participates in β ladder)trans-72.8139.8174.7-74-176.1177.2-174.30110.7V29 A30 L31 Y90V29-K38 HydrophobicContact CG1-CD 4.19Å; V29-K38 HydrophobicContact CG1-CG 4.25Å; A30-K38 CarbonylContact O-C 3.58Å; A30-K38 WeakPolarHBondContact O-CA 3.47Å; L31-K38 HydrophobicContact CD2-CB 4.49Å; L31-K38 HydrophobicContact CD2-CG 3.59Å; K38-Y90 HydrophobicContact CB-CD1 3.58Å; K38-Y90 HydrophobicContact CB-CE1 4.28Å; K38-Y90 HydrophobicContact CB-CG 3.99Å; K38-Y90 HydrophobicContact CD-CD1 3.72Å; K38-Y90 HydrophobicContact CD-CE1 3.51Å; K38-Y90 HydrophobicContact CG-CD1 4.3Å
39V96Very high92.3Very high0 Ų038.9 Ų38.90%017%0.172CC..EExtended strand (participates in β ladder)trans-135.6155.1172.9-64.30000109.5Y13 A30 H32 I41 Y75 V87 I321Y13-V39 HydrophobicContact CD1-CG2 3.7Å; Y13-V39 HydrophobicContact CE1-CG2 3.83Å; A30-V39 HydrophobicContact CB-CG2 4.13Å; A30-V39 PolarHBondContact N-O 2.99Å; A30-V39 WeakPolarHBondContact O-CG2 3.39Å; A30-V39 PolarHBondContact O-N 3.02Å; H32-V39 HydrophobicContact CB-CG1 4.39Å; V39-I41 HydrophobicContact CG2-CD1 4.26Å; V39-I41 HydrophobicContact CG2-CG1 4.08Å; V39-Y75 HydrophobicContact CG1-CD2 4.06Å; V39-Y75 HydrophobicContact CG1-CE2 4.23Å; V39-V87 HydrophobicContact CB-CG1 3.79Å; V39-V87 HydrophobicContact CG1-CG1 4.04Å; V39-V87 HydrophobicContact CG2-CG1 3.84Å; V39-I321 HydrophobicContact CG1-CD1 3.75Å; V39-I321 HydrophobicContact CG1-CG1 4.44Å
40A94.5Very high91.8Very high7 Ų741.2 Ų41.26%0.05820%0.196CC..EExtended strand (participates in β ladder)trans-97.7132.2169.900000109.4L19 L27 Y28 L88L19-A40 HydrophobicContact CD1-CB 4.39Å; L27-A40 HydrophobicContact CD1-CB 4.13Å; Y28-A40 CarbonylContact O-C 3.58Å; Y28-A40 WeakPolarHBondContact O-CA 3.36Å; A40-L88 HydrophobicContact CB-CB 4.36Å; A40-L88 PolarHBondContact N-O 3.19Å; A40-L88 PolarHBondContact O-N 3.26Å
41I95.4Very high91.1Very high0 Ų046.1 Ų46.10%023%0.231CC..EExtended strand (participates in β ladder)trans-117.9107.6-179.2-53.8-172.7000110.2L9 Y13 F15 L27 Y28 A30 V39 I43 L86 V87L9-I41 HydrophobicContact CD1-CD1 4.34Å; L9-I41 HydrophobicContact CD1-CG2 3.95Å; Y13-I41 HydrophobicContact CD1-CD1 3.9Å; Y13-I41 HydrophobicContact CD2-CD1 4.3Å; Y13-I41 HydrophobicContact CG-CD1 3.75Å; F15-I41 HydrophobicContact CE1-CB 4.37Å; F15-I41 HydrophobicContact CE1-CD1 4.26Å; F15-I41 HydrophobicContact CE1-CG2 4.43Å; F15-I41 HydrophobicContact CE2-CD1 4.18Å; F15-I41 HydrophobicContact CZ-CB 4.45Å; F15-I41 HydrophobicContact CZ-CD1 3.76Å; F15-I41 HydrophobicContact CZ-CG2 4.2Å; L27-I41 WeakPolarHBondContact CA-O 3.45Å; Y28-I41 PolarHBondContact N-O 3.43Å; Y28-I41 PolarHBondContact O-N 3.38Å; A30-I41 HydrophobicContact CB-CD1 3.56Å; A30-I41 HydrophobicContact CB-CG1 4.08Å; V39-I41 HydrophobicContact CG2-CD1 4.26Å; V39-I41 HydrophobicContact CG2-CG1 4.08Å; I41-I43 HydrophobicContact CG2-CG1 4.08Å; I41-L86 CarbonylContact C-O 3.55Å; I41-L86 WeakPolarHBondContact CA-O 3.47Å; I41-V87 HydrophobicContact CD1-CG2 4.35Å; I41-V87 HydrophobicContact CG1-CG1 4.47Å; I41-V87 HydrophobicContact CG1-CG2 4.26Å
42K92.2Very high90.2Very high43 Ų4345 Ų4519%0.18722%0.224CC..EExtended strand (participates in β ladder)trans-86.1107.2177.4-163.8-175.6-168.1-176.20108.2L27 L44 E59 Y85 L86 L88 D152L27-K42 HydrophobicContact CD1-CB 3.84Å; L27-K42 HydrophobicContact CD1-CG 4.36Å; K42-L44 HydrophobicContact CD-CD1 4.3Å; K42-L44 HydrophobicContact CG-CD1 4.4Å; K42-L44 HydrophobicContact CG-CD2 4.19Å; K42-L44 HydrophobicContact CG-CG 4.23Å; K42-E59 IonicContact NZ-OE1 3.93Å; K42-E59 PolarHBondContact NZ-OE1 3.37Å; K42-E59 IonicContact NZ-OE2 2.7Å; K42-E59 PolarHBondContact NZ-OE2 3.07Å; K42-Y85 WeakPolarHBondContact O-CA 3.12Å; K42-L86 HydrophobicContact CB-CB 4.23Å; K42-L86 HydrophobicContact CD-CD1 4.27Å; K42-L86 PolarHBondContact N-O 3.21Å; K42-L86 PolarHBondContact O-N 3.04Å; K42-L88 HydrophobicContact CB-CD1 3.83Å; K42-L88 HydrophobicContact CD-CD1 4.41Å; K42-D152 IonicContact NZ-OD1 3.07Å
43I92.9Very high89.6Confident22 Ų2246.2 Ų46.211%0.11324%0.235CC..EExtended strand (participates in β ladder)trans-99.7117.1179.8-50.3-170000109.3P6 F15 G25 V26 Y28 I41 Y85P6-I43 HydrophobicContact CG-CD1 3.93Å; F15-I43 HydrophobicContact CE1-CD1 3.96Å; F15-I43 HydrophobicContact CZ-CD1 4.3Å; G25-I43 CarbonylContact C-O 3.54Å; G25-I43 WeakPolarHBondContact CA-O 3.16Å; V26-I43 PolarHBondContact N-O 3.33Å; V26-I43 PolarHBondContact O-N 3.23Å; Y28-I43 HydrophobicContact CD2-CD1 3.82Å; Y28-I43 HydrophobicContact CD2-CG1 4.21Å; Y28-I43 HydrophobicContact CE2-CD1 3.84Å; Y28-I43 HydrophobicContact CE2-CG1 4.45Å; I41-I43 HydrophobicContact CG2-CG1 4.08Å; I43-Y85 HydrophobicContact CB-CD1 4.26Å; I43-Y85 HydrophobicContact CB-CE1 4.49Å; I43-Y85 HydrophobicContact CD1-CD1 4.08Å; I43-Y85 HydrophobicContact CD1-CE1 4.14Å; I43-Y85 HydrophobicContact CG1-CD1 3.86Å; I43-Y85 HydrophobicContact CG1-CE1 4.29Å; I43-Y85 HydrophobicContact CG2-CD1 3.82Å; I43-Y85 HydrophobicContact CG2-CE1 3.62Å
44L90.3Very high89.1Confident12 Ų1250.6 Ų50.66%0.06325%0.249CC..EExtended strand (participates in β ladder)trans-120123.2-174.2-58.8167.4000110.9F24 K42 K46 L49 V56 H83 Y84F24-L44 HydrophobicContact CB-CD2 4.17Å; K42-L44 HydrophobicContact CD-CD1 4.3Å; K42-L44 HydrophobicContact CG-CD1 4.4Å; K42-L44 HydrophobicContact CG-CD2 4.19Å; K42-L44 HydrophobicContact CG-CG 4.23Å; L44-K46 PolarHBondContact O-N 3.45Å; L44-L49 HydrophobicContact CB-CD1 4.2Å; L44-V56 HydrophobicContact CD1-CB 4.4Å; L44-V56 HydrophobicContact CD1-CG1 3.66Å; L44-V56 HydrophobicContact CD1-CG2 3.8Å; L44-H83 CarbonylContact O-C 3.56Å; L44-H83 WeakPolarHBondContact O-CA 3.32Å; L44-Y84 PolarHBondContact N-O 2.83Å; L44-Y84 PolarHBondContact O-N 3.42Å
45D89.5Confident88.4Confident14 Ų1452 Ų528%0.07525%0.253CS..EExtended strand (participates in β ladder)trans-81116.5178.1-175.3-21.9000110.3F24 R47 K48 L49F24-D45 PolarHBondContact O-N 3.49Å; D45-R47 PolarHBondContact O-N 2.94Å; D45-R47 VanDerWaalsContact O-N 3.16Å; D45-R47 VanDerWaalsContact OD1-CB 3.24Å; D45-R47 WeakPolarHBondContact OD1-CB 3.3Å; D45-R47 WeakPolarHBondContact OD1-CG 3.47Å; D45-R47 IonicContact OD1-CZ 2.71Å; D45-R47 PolarHBondContact OD1-N 2.95Å; D45-R47 IonicContact OD1-NE 3.44Å; D45-R47 PolarHBondContact OD1-NE 3.03Å; D45-R47 IonicContact OD1-NH2 3.89Å; D45-R47 IonicContact OD2-CZ 3.68Å; D45-R47 IonicContact OD2-NE 2.99Å; D45-R47 PolarHBondContact OD2-NE 3.29Å; D45-R47 IonicContact OD2-NH2 3.14Å; D45-R47 PolarHBondContact OD2-NH2 3.26Å; D45-K48 HydrophobicContact CB-CB 4.2Å; D45-K48 HydrophobicContact CB-CD 4.04Å; D45-K48 HydrophobicContact CB-CG 3.95Å; D45-K48 PolarHBondContact O-N 3.25Å; D45-L49 PolarHBondContact O-N 3.1Å; D45-L49 VanDerWaalsContact O-N 3.1Å
46K91Very high88Confident47 Ų4752 Ų5220%0.20425%0.253CS..Hα-helixtrans-58.9-29.2-178.9-71.6179.2162.3-171.70113L44 G50 E79 T80 Q81 T82 Y84L44-K46 PolarHBondContact O-N 3.45Å; K46-G50 PolarHBondContact O-N 2.95Å; K46-E79 IonicContact NZ-OE1 3.41Å; K46-E79 PolarHBondContact NZ-OE1 3.05Å; K46-T80 VanDerWaalsContact CE-O 3.27Å; K46-T80 WeakPolarHBondContact CE-O 3.36Å; K46-T80 PolarHBondContact NZ-O 3.38Å; K46-Q81 WeakPolarHBondContact CD-O 3.46Å; K46-T82 WeakPolarHBondContact CB-O 3.49Å; K46-T82 PolarHBondContact N-O 3.34Å; K46-Y84 HydrophobicContact CD-CE2 4.24Å; K46-Y84 VanDerWaalsContact CE-CZ 3.47Å; K46-Y84 HydrophobicContact CG-CD2 3.85Å; K46-Y84 HydrophobicContact CG-CE2 3.74Å
47R89Confident87.7Confident184 Ų18451.9 Ų51.969%0.69426%0.256SS*.Hα-helixtrans-73.1-32.9178.5-53.9168.9-64.1173.64.7111.6D45D45-R47 PolarHBondContact O-N 2.94Å; D45-R47 VanDerWaalsContact O-N 3.16Å; D45-R47 VanDerWaalsContact OD1-CB 3.24Å; D45-R47 WeakPolarHBondContact OD1-CB 3.3Å; D45-R47 WeakPolarHBondContact OD1-CG 3.47Å; D45-R47 IonicContact OD1-CZ 2.71Å; D45-R47 PolarHBondContact OD1-N 2.95Å; D45-R47 IonicContact OD1-NE 3.44Å; D45-R47 PolarHBondContact OD1-NE 3.03Å; D45-R47 IonicContact OD1-NH2 3.89Å; D45-R47 IonicContact OD2-CZ 3.68Å; D45-R47 IonicContact OD2-NE 2.99Å; D45-R47 PolarHBondContact OD2-NE 3.29Å; D45-R47 IonicContact OD2-NH2 3.14Å; D45-R47 PolarHBondContact OD2-NH2 3.26Å
48K83.4Confident87.3Confident126 Ų12650.6 Ų50.655%0.54826%0.257SS..Hα-helixtrans-76.1-31.9175-65.5-174.9-176.8-178.80112.3F24 D45F24-K48 HydrophobicContact CD1-CB 4.38Å; F24-K48 WeakPolarHBondContact CD1-O 3.4Å; D45-K48 HydrophobicContact CB-CB 4.2Å; D45-K48 HydrophobicContact CB-CD 4.04Å; D45-K48 HydrophobicContact CB-CG 3.95Å; D45-K48 PolarHBondContact O-N 3.25Å
49L81.6Confident87Confident6 Ų645.8 Ų45.83%0.03124%0.236CC..Hα-helixtrans-65.9-47.6177.6-73.8167.3000112.1F24 L44 D45 S51 D52 A53 V56 Y84F24-L49 HydrophobicContact CB-CD2 3.73Å; F24-L49 HydrophobicContact CB-CG 4.18Å; F24-L49 HydrophobicContact CD1-CD2 3.97Å; F24-L49 HydrophobicContact CD1-CG 4.49Å; F24-L49 HydrophobicContact CD2-CD2 3.91Å; F24-L49 HydrophobicContact CG-CD2 3.59Å; F24-L49 HydrophobicContact CG-CG 4.36Å; L44-L49 HydrophobicContact CB-CD1 4.2Å; D45-L49 PolarHBondContact O-N 3.1Å; D45-L49 VanDerWaalsContact O-N 3.1Å; L49-S51 PolarHBondContact O-N 3.43Å; L49-S51 VanDerWaalsContact O-N 3.09Å; L49-D52 WeakPolarHBondContact O-CB 3.21Å; L49-D52 PolarHBondContact O-N 2.98Å; L49-A53 HydrophobicContact CB-CB 4.29Å; L49-V56 HydrophobicContact CD1-CG2 3.7Å; L49-V56 HydrophobicContact CD2-CG2 3.63Å; L49-V56 HydrophobicContact CG-CG2 4.35Å; L49-Y84 HydrophobicContact CD1-CD2 3.9Å; L49-Y84 HydrophobicContact CD1-CE2 3.95Å
50G82.7Confident86.8Confident50 Ų5046.2 Ų46.252%0.51524%0.238SC..G310 helixtrans52.6-117.7-179.300000112K46 D52 A53K46-G50 PolarHBondContact O-N 2.95Å; G50-D52 VanDerWaalsContact C-N 3.27Å; G50-D52 PolarHBondContact O-N 2.82Å; G50-A53 WeakPolarHBondContact O-CB 3.4Å; G50-A53 PolarHBondContact O-N 2.67Å
51S78.2Confident86.6Confident103 Ų10350.1 Ų50.172%0.7226%0.255SS*.G310 helixtrans-65.9-22.9176.6540000114.3L49 A53 Y54L49-S51 PolarHBondContact O-N 3.43Å; L49-S51 VanDerWaalsContact O-N 3.09Å; S51-A53 PolarHBondContact O-N 2.86Å; S51-Y54 WeakPolarHBondContact O-CD1 3.21Å; S51-Y54 VanDerWaalsContact O-CE1 3.26Å; S51-Y54 WeakPolarHBondContact O-CE1 3.28Å
52D76Confident86.4Confident26 Ų2650.2 Ų50.214%0.13926%0.256CS..G310 helixtrans-81.53.3-179.6-74.4-24.8000113.3F24 L49 G50 Y54 R55F24-D52 HydrophobicContact CZ-CB 4.22Å; F24-D52 WeakPolarHBondContact CZ-OD2 3.41Å; L49-D52 WeakPolarHBondContact O-CB 3.21Å; L49-D52 PolarHBondContact O-N 2.98Å; G50-D52 VanDerWaalsContact C-N 3.27Å; G50-D52 PolarHBondContact O-N 2.82Å; D52-Y54 PolarHBondContact O-N 2.88Å; D52-Y54 VanDerWaalsContact O-N 3.13Å; D52-R55 VanDerWaalsContact O-CB 3.3Å; D52-R55 WeakPolarHBondContact O-CB 3.42Å; D52-R55 PolarHBondContact O-N 2.85Å; D52-R55 IonicContact OD1-CZ 2.73Å; D52-R55 IonicContact OD1-NE 3.36Å; D52-R55 IonicContact OD1-NH1 3.45Å; D52-R55 PolarHBondContact OD1-NH1 2.85Å; D52-R55 IonicContact OD1-NH2 3.44Å; D52-R55 IonicContact OD2-NH1 3.89Å; D52-R55 PolarHBondContact OD2-NH1 2.85Å
53A83.3Confident86.4Confident27 Ų2748.3 Ų48.322%0.22325%0.248CC..Hα-helixtrans-60.4-23179.100000114.3L49 G50 S51 R55 K57L49-A53 HydrophobicContact CB-CB 4.29Å; G50-A53 WeakPolarHBondContact O-CB 3.4Å; G50-A53 PolarHBondContact O-N 2.67Å; S51-A53 PolarHBondContact O-N 2.86Å; A53-R55 VanDerWaalsContact C-N 3.29Å; A53-R55 PolarHBondContact O-N 2.84Å; A53-K57 PolarHBondContact O-N 2.87Å
54Y82Confident86.3Confident108 Ų10850.9 Ų50.942%0.42426%0.258SS..Hα-helixtrans-67-29.9173.572.4-87.7000112.5S51 D52 K57 G58S51-Y54 WeakPolarHBondContact O-CD1 3.21Å; S51-Y54 VanDerWaalsContact O-CE1 3.26Å; S51-Y54 WeakPolarHBondContact O-CE1 3.28Å; D52-Y54 PolarHBondContact O-N 2.88Å; D52-Y54 VanDerWaalsContact O-N 3.13Å; Y54-K57 PolarHBondContact O-N 2.95Å; Y54-G58 PolarHBondContact O-N 3.39Å
55R79.7Confident86.2Confident38 Ų3853.8 Ų53.814%0.14327%0.272CS..Hα-helixtrans-64.2-43179.1-67.3-174.2177.9160.4-3.8111.5D52 A53 G58 E59 G154D52-R55 VanDerWaalsContact O-CB 3.3Å; D52-R55 WeakPolarHBondContact O-CB 3.42Å; D52-R55 PolarHBondContact O-N 2.85Å; D52-R55 IonicContact OD1-CZ 2.73Å; D52-R55 IonicContact OD1-NE 3.36Å; D52-R55 IonicContact OD1-NH1 3.45Å; D52-R55 PolarHBondContact OD1-NH1 2.85Å; D52-R55 IonicContact OD1-NH2 3.44Å; D52-R55 IonicContact OD2-NH1 3.89Å; D52-R55 PolarHBondContact OD2-NH1 2.85Å; A53-R55 VanDerWaalsContact C-N 3.29Å; A53-R55 PolarHBondContact O-N 2.84Å; R55-G58 PolarHBondContact O-N 2.93Å; R55-E59 WeakPolarHBondContact O-CB 3.29Å; R55-E59 PolarHBondContact O-N 3.5Å; R55-G154 WeakPolarHBondContact CB-O 3.38Å; R55-G154 WeakPolarHBondContact CG-O 3.23Å
56V86.2Confident86.2Confident7 Ų753.6 Ų53.64%0.04227%0.27CS..Hα-helixtrans-65.8-39.5176.6-176.70000111.2L44 L49 E59 I60 Y84L44-V56 HydrophobicContact CD1-CB 4.4Å; L44-V56 HydrophobicContact CD1-CG1 3.66Å; L44-V56 HydrophobicContact CD1-CG2 3.8Å; L49-V56 HydrophobicContact CD1-CG2 3.7Å; L49-V56 HydrophobicContact CD2-CG2 3.63Å; L49-V56 HydrophobicContact CG-CG2 4.35Å; V56-E59 PolarHBondContact O-N 2.96Å; V56-I60 HydrophobicContact CG1-CD1 4.11Å; V56-I60 WeakPolarHBondContact O-CD1 3.42Å; V56-I60 VanDerWaalsContact O-CG1 3.22Å; V56-I60 WeakPolarHBondContact O-CG1 3.27Å; V56-I60 PolarHBondContact O-N 2.89Å; V56-Y84 HydrophobicContact CB-CE2 4.46Å; V56-Y84 HydrophobicContact CG1-CD2 3.85Å; V56-Y84 HydrophobicContact CG1-CE2 4.19Å; V56-Y84 HydrophobicContact CG1-CG 4.02Å
57K88Confident86Confident112 Ų11255 Ų5549%0.48728%0.28SS..Hα-helixtrans-66-39.3173.5-67.3-170.1175.5-165.90112A53 Y54 I60 E61 Y84A53-K57 PolarHBondContact O-N 2.87Å; Y54-K57 PolarHBondContact O-N 2.95Å; K57-I60 PolarHBondContact O-N 3.29Å; K57-E61 WeakPolarHBondContact O-CB 3.47Å; K57-E61 WeakPolarHBondContact O-CG 3.45Å; K57-E61 PolarHBondContact O-N 2.97Å; K57-Y84 WeakPolarHBondContact CE-OH 3.36Å
58G86.3Confident86Confident27 Ų2746.7 Ų46.728%0.27825%0.249SC..Hα-helixtrans-62.2-45.7173.300000113Y54 R55 I60 E61 A62Y54-G58 PolarHBondContact O-N 3.39Å; R55-G58 PolarHBondContact O-N 2.93Å; G58-I60 PolarHBondContact O-N 3.29Å; G58-E61 PolarHBondContact O-N 3.13Å; G58-A62 VanDerWaalsContact O-CB 3.3Å; G58-A62 WeakPolarHBondContact O-CB 3.31Å; G58-A62 PolarHBondContact O-N 3.37Å
59E88.8Confident86.3Confident3 Ų345.6 Ų45.61%0.01424%0.244CC..Hα-helixtrans-56.4-49.2174.5-175.1180-171.300111K42 R55 V56 L63 Y72 F153K42-E59 IonicContact NZ-OE1 3.93Å; K42-E59 PolarHBondContact NZ-OE1 3.37Å; K42-E59 IonicContact NZ-OE2 2.7Å; K42-E59 PolarHBondContact NZ-OE2 3.07Å; R55-E59 WeakPolarHBondContact O-CB 3.29Å; R55-E59 PolarHBondContact O-N 3.5Å; V56-E59 PolarHBondContact O-N 2.96Å; E59-L63 HydrophobicContact CG-CD1 4.08Å; E59-L63 WeakPolarHBondContact O-CB 3.4Å; E59-L63 WeakPolarHBondContact O-CG 3.28Å; E59-L63 PolarHBondContact O-N 2.71Å; E59-Y72 PolarHBondContact OE1-OH 3.46Å; E59-Y72 VanDerWaalsContact OE1-OH 3.09Å; E59-F153 HydrophobicContact CG-CB 4.19Å
60I91.7Very high86.9Confident9 Ų947.1 Ų47.15%0.04625%0.25CS..Hα-helixtrans-59.7-52.5176.6-68.2161.4000111.1V56 K57 G58 A62 L63 K64 V77 Y84 L86V56-I60 HydrophobicContact CG1-CD1 4.11Å; V56-I60 WeakPolarHBondContact O-CD1 3.42Å; V56-I60 VanDerWaalsContact O-CG1 3.22Å; V56-I60 WeakPolarHBondContact O-CG1 3.27Å; V56-I60 PolarHBondContact O-N 2.89Å; K57-I60 PolarHBondContact O-N 3.29Å; G58-I60 PolarHBondContact O-N 3.29Å; I60-A62 VanDerWaalsContact C-N 3.33Å; I60-A62 PolarHBondContact O-N 3.48Å; I60-L63 PolarHBondContact O-N 2.93Å; I60-K64 HydrophobicContact CG2-CD 4.12Å; I60-K64 VanDerWaalsContact CG2-CE 3.48Å; I60-K64 HydrophobicContact CG2-CG 4.36Å; I60-K64 VanDerWaalsContact O-CG 3.29Å; I60-K64 WeakPolarHBondContact O-CG 3.27Å; I60-K64 PolarHBondContact O-N 2.9Å; I60-V77 HydrophobicContact CD1-CG1 4.05Å; I60-V77 HydrophobicContact CG1-CG2 4.36Å; I60-V77 HydrophobicContact CG2-CG2 3.94Å; I60-Y84 HydrophobicContact CD1-CD1 4.44Å; I60-L86 HydrophobicContact CD1-CD2 3.83Å; I60-L86 HydrophobicContact CG1-CD1 4.26Å; I60-L86 HydrophobicContact CG1-CD2 3.75Å
61E91.1Very high87.4Confident89 Ų8944.9 Ų44.942%0.41623%0.226SC..Hα-helixtrans-68.7-30.1-175.2-70.2-54.5128.400113.1K57 G58 K64 Q65K57-E61 WeakPolarHBondContact O-CB 3.47Å; K57-E61 WeakPolarHBondContact O-CG 3.45Å; K57-E61 PolarHBondContact O-N 2.97Å; G58-E61 PolarHBondContact O-N 3.13Å; E61-K64 IonicContact OE1-NZ 3.67Å; E61-K64 PolarHBondContact OE1-NZ 3.26Å; E61-Q65 PolarHBondContact O-NE2 3.29Å
62A89.7Confident88.1Confident1 Ų140.8 Ų40.81%0.00820%0.195CC..Hα-helixtrans-66-52.817000000110.8G58 I60 K64 Q65 L66 F130 F153 C156G58-A62 VanDerWaalsContact O-CB 3.3Å; G58-A62 WeakPolarHBondContact O-CB 3.31Å; G58-A62 PolarHBondContact O-N 3.37Å; I60-A62 VanDerWaalsContact C-N 3.33Å; I60-A62 PolarHBondContact O-N 3.48Å; A62-K64 VanDerWaalsContact C-N 3.26Å; A62-K64 PolarHBondContact O-N 2.95Å; A62-Q65 CarbonylContact O-C 3.59Å; A62-Q65 PolarHBondContact O-N 3.48Å; A62-L66 HydrophobicContact CB-CD1 4.17Å; A62-L66 WeakPolarHBondContact O-CB 3.39Å; A62-L66 VanDerWaalsContact O-CG 3.28Å; A62-L66 WeakPolarHBondContact O-CG 3.26Å; A62-L66 PolarHBondContact O-N 2.91Å; A62-F130 HydrophobicContact CB-CD1 4.44Å; A62-F130 HydrophobicContact CB-CE1 4.14Å; A62-F153 HydrophobicContact CB-CB 4.31Å; A62-F153 HydrophobicContact CB-CD1 4.35Å; A62-C156 HydrophobicContact CB-CB 4.24Å
63L92.1Very high88.9Confident4 Ų441 Ų412%0.02120%0.195CC..Hα-helixtrans-64.7-25.7-178.9-73.4174.8000114.2E59 I60 Q65 I71 Y72 L74 L88 F153E59-L63 HydrophobicContact CG-CD1 4.08Å; E59-L63 WeakPolarHBondContact O-CB 3.4Å; E59-L63 WeakPolarHBondContact O-CG 3.28Å; E59-L63 PolarHBondContact O-N 2.71Å; I60-L63 PolarHBondContact O-N 2.93Å; L63-Q65 VanDerWaalsContact C-N 3.3Å; L63-I71 HydrophobicContact CD2-CG2 4.25Å; L63-Y72 HydrophobicContact CD1-CE1 3.87Å; L63-Y72 HydrophobicContact CD2-CD1 4Å; L63-Y72 HydrophobicContact CD2-CE1 3.64Å; L63-Y72 HydrophobicContact CG-CE1 4.35Å; L63-L74 HydrophobicContact CB-CB 3.87Å; L63-L74 HydrophobicContact CB-CD2 3.81Å; L63-L74 HydrophobicContact CB-CG 4.47Å; L63-L74 HydrophobicContact CD1-CB 4.28Å; L63-L88 HydrophobicContact CD1-CD2 4.28Å; L63-F153 HydrophobicContact CD2-CD2 3.91Å; L63-F153 HydrophobicContact CD2-CE2 4.08Å; L63-F153 HydrophobicContact CD2-CG 4.41Å; L63-F153 HydrophobicContact CG-CD2 4.39Å
64K91.9Very high89.5Confident75 Ų7540 Ų4033%0.32619%0.185SC..Hα-helixtrans-70.9-24.5170.9-72.4-178.9-178.1164.70113.9I60 E61 A62 L74 Y312I60-K64 HydrophobicContact CG2-CD 4.12Å; I60-K64 VanDerWaalsContact CG2-CE 3.48Å; I60-K64 HydrophobicContact CG2-CG 4.36Å; I60-K64 VanDerWaalsContact O-CG 3.29Å; I60-K64 WeakPolarHBondContact O-CG 3.27Å; I60-K64 PolarHBondContact O-N 2.9Å; E61-K64 IonicContact OE1-NZ 3.67Å; E61-K64 PolarHBondContact OE1-NZ 3.26Å; A62-K64 VanDerWaalsContact C-N 3.26Å; A62-K64 PolarHBondContact O-N 2.95Å; K64-L74 HydrophobicContact CG-CD2 4.26Å; K64-Y312 WeakPolarHBondContact CA-OH 3.41Å; K64-Y312 HydrophobicContact CB-CE2 3.9Å; K64-Y312 HydrophobicContact CD-CD2 4.06Å; K64-Y312 HydrophobicContact CD-CE2 4.12Å; K64-Y312 HydrophobicContact CG-CD2 3.74Å; K64-Y312 HydrophobicContact CG-CE1 4.41Å; K64-Y312 HydrophobicContact CG-CE2 3.52Å; K64-Y312 HydrophobicContact CG-CG 4.31Å; K64-Y312 PolarHBondContact O-OH 3.05Å
65Q88.3Confident90.2Very high74 Ų7435.4 Ų35.435%0.34617%0.167SC..Hα-helixtrans-102.4-17.3-176-78170.781.800113.5E61 A62 L63 F130E61-Q65 PolarHBondContact O-NE2 3.29Å; A62-Q65 CarbonylContact O-C 3.59Å; A62-Q65 PolarHBondContact O-N 3.48Å; L63-Q65 VanDerWaalsContact C-N 3.3Å; Q65-F130 HydrophobicContact CB-CE2 4.15Å; Q65-F130 HydrophobicContact CB-CZ 4.27Å
66L88.4Confident91Very high9 Ų934.1 Ų34.15%0.04716%0.163CC..  trans-106.2116.9-178-63.7170.7000109.7A62 I71 Y124 I125 R128 F130 F153A62-L66 HydrophobicContact CB-CD1 4.17Å; A62-L66 WeakPolarHBondContact O-CB 3.39Å; A62-L66 VanDerWaalsContact O-CG 3.28Å; A62-L66 WeakPolarHBondContact O-CG 3.26Å; A62-L66 PolarHBondContact O-N 2.91Å; L66-I71 HydrophobicContact CB-CD1 4.33Å; L66-Y124 HydrophobicContact CB-CE1 4.09Å; L66-Y124 HydrophobicContact CD2-CD1 4Å; L66-Y124 HydrophobicContact CD2-CE1 3.57Å; L66-Y124 HydrophobicContact CG-CE1 4.45Å; L66-I125 HydrophobicContact CD1-CG1 4.13Å; L66-I125 HydrophobicContact CD2-CG1 4.21Å; L66-R128 HydrophobicContact CD2-CB 3.89Å; L66-R128 HydrophobicContact CD2-CG 3.99Å; L66-F130 HydrophobicContact CD2-CD2 4.12Å; L66-F153 HydrophobicContact CD1-CD1 3.82Å; L66-F153 HydrophobicContact CD1-CE1 3.48Å; L66-F153 VanDerWaalsContact CD1-CE1 3.48Å; L66-F153 HydrophobicContact CD1-CZ 4.34Å
67N86.9Confident91.5Very high77 Ų7735.4 Ų35.441%0.41217%0.171SC..  trans-134.793.1176.3177.278.6000108.6Y124N67-Y124 PolarHBondContact N-OH 2.92Å; N67-Y124 PolarHBondContact O-OH 3.25Å
68H89.2Confident91.9Very high10 Ų1031.2 Ų31.25%0.04615%0.154CC..  trans-136.9141.6-176.2179.7-83.8000110.4Y70 I71 S120 A121 Y124 E277H68-Y70 WeakPolarHBondContact CE1-CB 3.37Å; H68-Y70 AromaticContact CE1-CD2 2.65Å; H68-Y70 WeakPolarHBondContact CE1-CD2 3.17Å; H68-Y70 AromaticContact CE1-CE2 3.61Å; H68-Y70 AromaticContact CE1-CG 3.21Å; H68-Y70 PolarHBondContact ND1-N 2.87Å; H68-Y70 PolarHBondContact O-N 3.01Å; H68-Y70 VanDerWaalsContact O-N 3.08Å; H68-I71 HydrophobicContact CB-CB 4.27Å; H68-I71 HydrophobicContact CB-CD1 3.79Å; H68-I71 HydrophobicContact CB-CG1 3.95Å; H68-I71 PolarHBondContact O-N 2.69Å; H68-I71 VanDerWaalsContact O-O 3.11Å; H68-S120 VanDerWaalsContact CE1-CB 3.43Å; H68-S120 WeakPolarHBondContact CE1-CB 3.37Å; H68-S120 PolarHBondContact CE1-OG 2.94Å; H68-S120 VanDerWaalsContact NE2-C 3.28Å; H68-S120 VanDerWaalsContact NE2-CB 3.28Å; H68-S120 WeakPolarHBondContact NE2-CB 3.21Å; H68-S120 PolarHBondContact NE2-O 3.14Å; H68-S120 PolarHBondContact NE2-OG 2.78Å; H68-A121 PolarHBondContact CE1-N 2.97Å; H68-Y124 HydrophobicContact CB-CD1 3.68Å; H68-Y124 HydrophobicContact CB-CE1 3.79Å; H68-Y124 HydrophobicContact CB-CG 4.14Å; H68-Y124 AromaticContact CD2-CG 3.75Å; H68-E277 VanDerWaalsContact CA-OE1 3.25Å; H68-E277 WeakPolarHBondContact CA-OE1 3.34Å; H68-E277 VanDerWaalsContact CA-OE2 3.22Å; H68-E277 WeakPolarHBondContact CA-OE2 3.45Å; H68-E277 WeakPolarHBondContact CB-OE2 3.44Å; H68-E277 IonicContact CD2-OE1 2.66Å; H68-E277 PolarHBondContact CD2-OE1 3.03Å; H68-E277 IonicContact CD2-OE2 3.12Å; H68-E277 PolarHBondContact CD2-OE2 2.8Å; H68-E277 IonicContact CG-OE1 3.45Å; H68-E277 IonicContact CG-OE2 2.8Å
69K90.1Very high92.3Very high102 Ų10235 Ų3544%0.44317%0.165SC..THydrogen-bonded Turntrans-58.4-24.2-174.461179.1167.5-165.30115.4R149K69-R149 PolarHBondContact O-NE 2.9Å; K69-R149 PolarHBondContact O-NH1 3.12Å
70Y93.7Very high92.6Very high39 Ų3936.6 Ų36.615%0.15318%0.175CC..THydrogen-bonded Turntrans-106.921.2177.4-51.4-43.7000112.5H68 Q117 N147 V148 R149 I150H68-Y70 WeakPolarHBondContact CE1-CB 3.37Å; H68-Y70 AromaticContact CE1-CD2 2.65Å; H68-Y70 WeakPolarHBondContact CE1-CD2 3.17Å; H68-Y70 AromaticContact CE1-CE2 3.61Å; H68-Y70 AromaticContact CE1-CG 3.21Å; H68-Y70 PolarHBondContact ND1-N 2.87Å; H68-Y70 PolarHBondContact O-N 3.01Å; H68-Y70 VanDerWaalsContact O-N 3.08Å; Y70-Q117 HydrophobicContact CD1-CB 4.28Å; Y70-Q117 HydrophobicContact CD1-CG 4.45Å; Y70-Q117 HydrophobicContact CD2-CB 3.57Å; Y70-Q117 HydrophobicContact CD2-CG 4.08Å; Y70-Q117 VanDerWaalsContact CD2-O 3.32Å; Y70-Q117 WeakPolarHBondContact CD2-O 3.41Å; Y70-Q117 HydrophobicContact CE1-CB 4.31Å; Y70-Q117 HydrophobicContact CE1-CG 4Å; Y70-Q117 HydrophobicContact CE2-CB 3.62Å; Y70-Q117 HydrophobicContact CE2-CG 3.61Å; Y70-Q117 HydrophobicContact CG-CB 3.95Å; Y70-N147 HydrophobicContact CD1-CB 4.5Å; Y70-N147 HydrophobicContact CE1-CB 4.25Å; Y70-V148 WeakPolarHBondContact CA-O 3.33Å; Y70-V148 WeakPolarHBondContact CB-O 3.15Å; Y70-V148 WeakPolarHBondContact CD1-O 3.37Å; Y70-R149 CarbonylContact O-C 3.57Å; Y70-R149 WeakPolarHBondContact O-CA 3.35Å; Y70-I150 PolarHBondContact O-N 3.26Å
71I93.1Very high92.6Very high3 Ų345.2 Ų45.22%0.01522%0.215CC..BIsolated β-bridgetrans-119.7133.5168.7-61.9177.8000107.7L63 L66 H68 A121 Y124 I125 F153L63-I71 HydrophobicContact CD2-CG2 4.25Å; L66-I71 HydrophobicContact CB-CD1 4.33Å; H68-I71 HydrophobicContact CB-CB 4.27Å; H68-I71 HydrophobicContact CB-CD1 3.79Å; H68-I71 HydrophobicContact CB-CG1 3.95Å; H68-I71 PolarHBondContact O-N 2.69Å; H68-I71 VanDerWaalsContact O-O 3.11Å; I71-A121 HydrophobicContact CG1-CB 4.06Å; I71-Y124 HydrophobicContact CD1-CD1 3.91Å; I71-Y124 HydrophobicContact CD1-CE1 4.26Å; I71-I125 HydrophobicContact CD1-CD1 3.75Å; I71-I125 HydrophobicContact CD1-CG1 3.6Å; I71-I125 HydrophobicContact CG1-CD1 4.42Å; I71-F153 HydrophobicContact CD1-CZ 4.27Å; I71-F153 HydrophobicContact CG1-CZ 4.36Å; I71-F153 HydrophobicContact CG2-CE2 3.83Å; I71-F153 HydrophobicContact CG2-CZ 3.61Å
72Y93.2Very high92.7Very high17 Ų1744.1 Ų44.17%0.06721%0.214CC..PPolyproline II helixtrans-64.3137.8-179.879.4-42.2000113.6E59 L63 L88 E89 I150 I151 D152 F153E59-Y72 PolarHBondContact OE1-OH 3.46Å; E59-Y72 VanDerWaalsContact OE1-OH 3.09Å; L63-Y72 HydrophobicContact CD1-CE1 3.87Å; L63-Y72 HydrophobicContact CD2-CD1 4Å; L63-Y72 HydrophobicContact CD2-CE1 3.64Å; L63-Y72 HydrophobicContact CG-CE1 4.35Å; Y72-L88 HydrophobicContact CD2-CB 4.33Å; Y72-L88 HydrophobicContact CD2-CD2 4.28Å; Y72-L88 HydrophobicContact CE2-CB 4.29Å; Y72-L88 HydrophobicContact CE2-CD1 4Å; Y72-L88 HydrophobicContact CE2-CD2 3.71Å; Y72-L88 HydrophobicContact CE2-CG 4.2Å; Y72-E89 VanDerWaalsContact CA-OE2 3.26Å; Y72-E89 WeakPolarHBondContact CA-OE2 3.29Å; Y72-I150 WeakPolarHBondContact CD1-O 3.2Å; Y72-I150 PolarHBondContact N-O 2.77Å; Y72-I151 HydrophobicContact CD1-CB 4.25Å; Y72-I151 HydrophobicContact CD1-CG2 3.99Å; Y72-I151 HydrophobicContact CD2-CB 4.41Å; Y72-I151 HydrophobicContact CD2-CG2 3.85Å; Y72-I151 HydrophobicContact CE1-CB 4.14Å; Y72-I151 HydrophobicContact CE1-CG2 4.36Å; Y72-I151 HydrophobicContact CE2-CB 4.3Å; Y72-I151 HydrophobicContact CE2-CG2 4.23Å; Y72-I151 HydrophobicContact CG-CB 4.39Å; Y72-I151 HydrophobicContact CG-CG2 3.72Å; Y72-D152 PolarHBondContact OH-N 3.07Å; Y72-F153 HydrophobicContact CD1-CE2 4.18Å; Y72-F153 AromaticContact CE1-CD2 3.78Å; Y72-F153 HydrophobicContact CE1-CD2 3.78Å; Y72-F153 AromaticContact CE1-CE2 3.85Å; Y72-F153 HydrophobicContact CE1-CE2 3.85Å
73K93.1Very high92.8Very high31 Ų3146 Ų4614%0.13522%0.223CC..PPolyproline II helixtrans-77.1133.4-176.1-63.9169.9179.1173.30111.7Y75 L88 E89 E327 E328K73-Y75 HydrophobicContact CB-CD1 4.37Å; K73-Y75 HydrophobicContact CB-CE1 3.84Å; K73-Y75 HydrophobicContact CD-CE1 4.33Å; K73-L88 CarbonylContact O-C 3.58Å; K73-L88 WeakPolarHBondContact O-CA 3.5Å; K73-E89 HydrophobicContact CB-CB 4.27Å; K73-E89 PolarHBondContact N-OE2 3.01Å; K73-E89 PolarHBondContact O-N 3.15Å; K73-E327 IonicContact NZ-OE2 3.92Å; K73-E327 PolarHBondContact NZ-OE2 3.04Å; K73-E328 IonicContact NZ-OE1 3.79Å; K73-E328 PolarHBondContact NZ-OE1 2.92Å
74L95.8Very high92.9Very high4 Ų446.3 Ų46.32%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-92117.8166.1173.167.4000109.2L63 K64 V77 L86 L88 Y312 M320L63-L74 HydrophobicContact CB-CB 3.87Å; L63-L74 HydrophobicContact CB-CD2 3.81Å; L63-L74 HydrophobicContact CB-CG 4.47Å; L63-L74 HydrophobicContact CD1-CB 4.28Å; K64-L74 HydrophobicContact CG-CD2 4.26Å; L74-V77 HydrophobicContact CD1-CG2 4.15Å; L74-V77 HydrophobicContact CD2-CG2 3.89Å; L74-V77 HydrophobicContact CG-CG2 4.38Å; L74-L86 HydrophobicContact CD1-CB 4.24Å; L74-L88 HydrophobicContact CB-CD2 4.32Å; L74-L88 HydrophobicContact CD1-CD2 3.69Å; L74-Y312 HydrophobicContact CD2-CD1 4.28Å; L74-Y312 HydrophobicContact CD2-CE1 4.49Å; L74-Y312 HydrophobicContact CG-CD1 4.13Å; L74-Y312 HydrophobicContact CG-CE1 4.42Å; L74-Y312 WeakPolarHBondContact O-CD1 3.4Å; L74-Y312 VanDerWaalsContact O-CE1 3.3Å; L74-Y312 WeakPolarHBondContact O-CE1 3.4Å; L74-M320 WeakPolarHBondContact O-CE 3.28Å
75Y96.7Very high93.1Very high12 Ų1243.5 Ų43.55%0.04721%0.212CC..EExtended strand (participates in β ladder)trans-94.6-44.1-178-61.9-48000113.2V39 K73 V87 E89 A317 M320 I321 S324V39-Y75 HydrophobicContact CG1-CD2 4.06Å; V39-Y75 HydrophobicContact CG1-CE2 4.23Å; K73-Y75 HydrophobicContact CB-CD1 4.37Å; K73-Y75 HydrophobicContact CB-CE1 3.84Å; K73-Y75 HydrophobicContact CD-CE1 4.33Å; Y75-V87 PolarHBondContact N-O 3.29Å; Y75-E89 HydrophobicContact CE2-CB 4.37Å; Y75-A317 WeakPolarHBondContact O-CA 3.34Å; Y75-A317 WeakPolarHBondContact O-CB 3.13Å; Y75-M320 HydrophobicContact CD1-CB 3.59Å; Y75-M320 HydrophobicContact CD1-CE 4.25Å; Y75-M320 HydrophobicContact CE1-CB 3.96Å; Y75-I321 HydrophobicContact CD1-CG1 3.94Å; Y75-I321 HydrophobicContact CD2-CD1 4.06Å; Y75-I321 HydrophobicContact CD2-CG1 3.71Å; Y75-I321 HydrophobicContact CE1-CG1 3.97Å; Y75-I321 HydrophobicContact CE2-CD1 4.44Å; Y75-I321 HydrophobicContact CE2-CG1 3.73Å; Y75-I321 HydrophobicContact CG-CD1 4.26Å; Y75-I321 HydrophobicContact CG-CG1 3.81Å; Y75-S324 PolarHBondContact OH-OG 3.24Å; Y75-S324 VanDerWaalsContact OH-OG 3.11Å
76Q97.5Very high93.4Very high12 Ų1240 Ų406%0.05620%0.195CC..EExtended strand (participates in β ladder)trans-142.7145.1-177.6-157.6-178.7-4.500112.2Y13 V78 V87 Y312 A317Y13-Q76 VanDerWaalsContact CE2-OE1 3.26Å; Y13-Q76 PolarHBondContact OH-OE1 3.14Å; Q76-V78 HydrophobicContact CG-CG2 4.11Å; Q76-V78 VanDerWaalsContact NE2-CG2 3.29Å; Q76-V87 HydrophobicContact CB-CB 3.72Å; Q76-V87 HydrophobicContact CB-CG2 3.78Å; Q76-V87 PolarHBondContact N-O 3.01Å; Q76-V87 PolarHBondContact O-N 3.23Å; Q76-Y312 WeakPolarHBondContact CA-O 3.35Å; Q76-Y312 VanDerWaalsContact CG-O 3.24Å; Q76-Y312 WeakPolarHBondContact CG-O 3.46Å; Q76-A317 HydrophobicContact CB-CB 3.97Å; Q76-A317 HydrophobicContact CG-CB 4.46Å
77V96.8Very high93.8Very high33 Ų3339.6 Ų39.620%0.219%0.193CC..EExtended strand (participates in β ladder)trans-116.2123.7163.3-176.90000108.7I60 L74 L86 Y312I60-V77 HydrophobicContact CD1-CG1 4.05Å; I60-V77 HydrophobicContact CG1-CG2 4.36Å; I60-V77 HydrophobicContact CG2-CG2 3.94Å; L74-V77 HydrophobicContact CD1-CG2 4.15Å; L74-V77 HydrophobicContact CD2-CG2 3.89Å; L74-V77 HydrophobicContact CG-CG2 4.38Å; V77-L86 HydrophobicContact CG1-CD2 4.05Å; V77-L86 HydrophobicContact CG2-CD2 4.23Å; V77-Y312 PolarHBondContact N-O 3.42Å
78V96.5Very high94.2Very high24 Ų2436.1 Ų36.115%0.14518%0.175CC..EExtended strand (participates in β ladder)trans-116.5116.7168-176.30000108.6A8 L9 Q76 T80 Y85A8-V78 HydrophobicContact CB-CG1 4.03Å; L9-V78 HydrophobicContact CD2-CB 4.4Å; L9-V78 HydrophobicContact CD2-CG2 3.85Å; Q76-V78 HydrophobicContact CG-CG2 4.11Å; Q76-V78 VanDerWaalsContact NE2-CG2 3.29Å; V78-T80 HydrophobicContact CG1-CG2 4.48Å; V78-Y85 HydrophobicContact CB-CD2 4.15Å; V78-Y85 HydrophobicContact CG1-CD2 4.18Å; V78-Y85 PolarHBondContact N-O 3.34Å; V78-Y85 WeakPolarHBondContact O-CD2 3.16Å; V78-Y85 PolarHBondContact O-N 3.32Å
79E94.5Very high94.5Very high107 Ų10736.2 Ų36.250%0.518%0.175SC..EExtended strand (participates in β ladder)trans-104.8126.2175.7-174170.6174.900109.9K46 Y84K46-E79 IonicContact NZ-OE1 3.41Å; K46-E79 PolarHBondContact NZ-OE1 3.05Å; E79-Y84 HydrophobicContact CB-CD1 4.22Å; E79-Y84 HydrophobicContact CB-CE1 4.48Å; E79-Y84 HydrophobicContact CG-CD1 3.83Å; E79-Y84 HydrophobicContact CG-CE1 3.75Å
80T93.7Very high94.6Very high37 Ų3734 Ų3423%0.22716%0.164CC..  trans-117.3172.7172.561.50000109.9A8 K46 V78 T82 H83 Y85A8-T80 HydrophobicContact CB-CG2 3.77Å; K46-T80 VanDerWaalsContact CE-O 3.27Å; K46-T80 WeakPolarHBondContact CE-O 3.36Å; K46-T80 PolarHBondContact NZ-O 3.38Å; V78-T80 HydrophobicContact CG1-CG2 4.48Å; T80-T82 PolarHBondContact O-N 3.41Å; T80-H83 PolarHBondContact N-O 3.28Å; T80-H83 PolarHBondContact OG1-N 3.05Å; T80-H83 PolarHBondContact OG1-O 3.12Å; T80-Y85 HydrophobicContact CG2-CD2 4.43Å; T80-Y85 HydrophobicContact CG2-CE2 3.75Å
81Q92.6Very high94.5Very high189 Ų18933.1 Ų33.188%0.88316%0.162SC*.SBendtrans-58.2-30.7176.1-64.3-179.46.900113K46K46-Q81 WeakPolarHBondContact CD-O 3.46Å
82T92Very high94.1Very high66 Ų6635.6 Ų35.641%0.40518%0.178SC..SBendtrans-110.3-23.1-172.953.70000114.9K46 T80K46-T82 WeakPolarHBondContact CB-O 3.49Å; K46-T82 PolarHBondContact N-O 3.34Å; T80-T82 PolarHBondContact O-N 3.41Å
83H93.3Very high93.5Very high42 Ų4236.6 Ų36.619%0.19419%0.194CC..EExtended strand (participates in β ladder)trans-140.4152.4-174.4-63.480.9000113L44 T80 Y85L44-H83 CarbonylContact O-C 3.56Å; L44-H83 WeakPolarHBondContact O-CA 3.32Å; T80-H83 PolarHBondContact N-O 3.28Å; T80-H83 PolarHBondContact OG1-N 3.05Å; T80-H83 PolarHBondContact OG1-O 3.12Å; H83-Y85 HydrophobicContact CB-CD2 4.37Å; H83-Y85 HydrophobicContact CB-CE1 4.34Å; H83-Y85 HydrophobicContact CB-CE2 3.68Å
84Y93.8Very high93.1Very high9 Ų936.5 Ų36.54%0.03520%0.202CC..EExtended strand (participates in β ladder)trans-98.1140.8154.5-58.8-84.1000109L44 K46 L49 V56 K57 I60 E79L44-Y84 PolarHBondContact N-O 2.83Å; L44-Y84 PolarHBondContact O-N 3.42Å; K46-Y84 HydrophobicContact CD-CE2 4.24Å; K46-Y84 VanDerWaalsContact CE-CZ 3.47Å; K46-Y84 HydrophobicContact CG-CD2 3.85Å; K46-Y84 HydrophobicContact CG-CE2 3.74Å; L49-Y84 HydrophobicContact CD1-CD2 3.9Å; L49-Y84 HydrophobicContact CD1-CE2 3.95Å; V56-Y84 HydrophobicContact CB-CE2 4.46Å; V56-Y84 HydrophobicContact CG1-CD2 3.85Å; V56-Y84 HydrophobicContact CG1-CE2 4.19Å; V56-Y84 HydrophobicContact CG1-CG 4.02Å; K57-Y84 WeakPolarHBondContact CE-OH 3.36Å; I60-Y84 HydrophobicContact CD1-CD1 4.44Å; E79-Y84 HydrophobicContact CB-CD1 4.22Å; E79-Y84 HydrophobicContact CB-CE1 4.48Å; E79-Y84 HydrophobicContact CG-CD1 3.83Å; E79-Y84 HydrophobicContact CG-CE1 3.75Å
85Y95.2Very high92.7Very high17 Ų1738.8 Ų38.87%0.06721%0.212CC..EExtended strand (participates in β ladder)trans-122.1118.8168.6-48.4-97.8000107.9P6 A8 L9 K42 I43 V78 T80 H83P6-Y85 HydrophobicContact CB-CE1 3.58Å; P6-Y85 HydrophobicContact CG-CD1 4.37Å; P6-Y85 HydrophobicContact CG-CE1 3.63Å; A8-Y85 HydrophobicContact CB-CE2 4.13Å; L9-Y85 HydrophobicContact CD1-CD1 3.61Å; L9-Y85 HydrophobicContact CD1-CE1 4.35Å; L9-Y85 HydrophobicContact CD1-CG 3.91Å; L9-Y85 HydrophobicContact CG-CD1 4.39Å; L9-Y85 HydrophobicContact CG-CG 4.42Å; K42-Y85 WeakPolarHBondContact O-CA 3.12Å; I43-Y85 HydrophobicContact CB-CD1 4.26Å; I43-Y85 HydrophobicContact CB-CE1 4.49Å; I43-Y85 HydrophobicContact CD1-CD1 4.08Å; I43-Y85 HydrophobicContact CD1-CE1 4.14Å; I43-Y85 HydrophobicContact CG1-CD1 3.86Å; I43-Y85 HydrophobicContact CG1-CE1 4.29Å; I43-Y85 HydrophobicContact CG2-CD1 3.82Å; I43-Y85 HydrophobicContact CG2-CE1 3.62Å; V78-Y85 HydrophobicContact CB-CD2 4.15Å; V78-Y85 HydrophobicContact CG1-CD2 4.18Å; V78-Y85 PolarHBondContact N-O 3.34Å; V78-Y85 WeakPolarHBondContact O-CD2 3.16Å; V78-Y85 PolarHBondContact O-N 3.32Å; T80-Y85 HydrophobicContact CG2-CD2 4.43Å; T80-Y85 HydrophobicContact CG2-CE2 3.75Å; H83-Y85 HydrophobicContact CB-CD2 4.37Å; H83-Y85 HydrophobicContact CB-CE1 4.34Å; H83-Y85 HydrophobicContact CB-CE2 3.68Å
86L95.3Very high92.3Very high0 Ų038.2 Ų38.20%021%0.21CC..EExtended strand (participates in β ladder)trans-107.3120.5175.4-45.5-175.5000108.2I41 K42 I60 L74 V77 L88I41-L86 CarbonylContact C-O 3.55Å; I41-L86 WeakPolarHBondContact CA-O 3.47Å; K42-L86 HydrophobicContact CB-CB 4.23Å; K42-L86 HydrophobicContact CD-CD1 4.27Å; K42-L86 PolarHBondContact N-O 3.21Å; K42-L86 PolarHBondContact O-N 3.04Å; I60-L86 HydrophobicContact CD1-CD2 3.83Å; I60-L86 HydrophobicContact CG1-CD1 4.26Å; I60-L86 HydrophobicContact CG1-CD2 3.75Å; L74-L86 HydrophobicContact CD1-CB 4.24Å; V77-L86 HydrophobicContact CG1-CD2 4.05Å; V77-L86 HydrophobicContact CG2-CD2 4.23Å; L86-L88 HydrophobicContact CB-CD1 4.21Å; L86-L88 HydrophobicContact CB-CD2 4.36Å; L86-L88 HydrophobicContact CB-CG 4.19Å
87V97.1Very high91.7Very high0 Ų037.8 Ų37.80%021%0.208CC..EExtended strand (participates in β ladder)trans-96121.1174.4-175.20000107.7Y13 V39 I41 Y75 Q76Y13-V87 HydrophobicContact CE1-CG1 3.69Å; Y13-V87 HydrophobicContact CE1-CG2 4.25Å; Y13-V87 HydrophobicContact CE2-CG2 4.06Å; V39-V87 HydrophobicContact CB-CG1 3.79Å; V39-V87 HydrophobicContact CG1-CG1 4.04Å; V39-V87 HydrophobicContact CG2-CG1 3.84Å; I41-V87 HydrophobicContact CD1-CG2 4.35Å; I41-V87 HydrophobicContact CG1-CG1 4.47Å; I41-V87 HydrophobicContact CG1-CG2 4.26Å; Y75-V87 PolarHBondContact N-O 3.29Å; Q76-V87 HydrophobicContact CB-CB 3.72Å; Q76-V87 HydrophobicContact CB-CG2 3.78Å; Q76-V87 PolarHBondContact N-O 3.01Å; Q76-V87 PolarHBondContact O-N 3.23Å
88L95.6Very high90.9Very high5 Ų539.5 Ų39.53%0.02622%0.216CC..EExtended strand (participates in β ladder)trans-129.8161.4-164.3-59.3157.3000109.8A40 K42 L63 Y72 K73 L74 L86 Y90A40-L88 HydrophobicContact CB-CB 4.36Å; A40-L88 PolarHBondContact N-O 3.19Å; A40-L88 PolarHBondContact O-N 3.26Å; K42-L88 HydrophobicContact CB-CD1 3.83Å; K42-L88 HydrophobicContact CD-CD1 4.41Å; L63-L88 HydrophobicContact CD1-CD2 4.28Å; Y72-L88 HydrophobicContact CD2-CB 4.33Å; Y72-L88 HydrophobicContact CD2-CD2 4.28Å; Y72-L88 HydrophobicContact CE2-CB 4.29Å; Y72-L88 HydrophobicContact CE2-CD1 4Å; Y72-L88 HydrophobicContact CE2-CD2 3.71Å; Y72-L88 HydrophobicContact CE2-CG 4.2Å; K73-L88 CarbonylContact O-C 3.58Å; K73-L88 WeakPolarHBondContact O-CA 3.5Å; L74-L88 HydrophobicContact CB-CD2 4.32Å; L74-L88 HydrophobicContact CD1-CD2 3.69Å; L86-L88 HydrophobicContact CB-CD1 4.21Å; L86-L88 HydrophobicContact CB-CD2 4.36Å; L86-L88 HydrophobicContact CB-CG 4.19Å; L88-Y90 PolarHBondContact O-N 2.96Å
89E94.6Very high90.4Very high12 Ų1239.4 Ų39.46%0.05621%0.213CC..EExtended strand (participates in β ladder)trans-51.7134.8166.8-166.9176.9165.500111.1Y72 K73 Y75 L91 R149Y72-E89 VanDerWaalsContact CA-OE2 3.26Å; Y72-E89 WeakPolarHBondContact CA-OE2 3.29Å; K73-E89 HydrophobicContact CB-CB 4.27Å; K73-E89 PolarHBondContact N-OE2 3.01Å; K73-E89 PolarHBondContact O-N 3.15Å; Y75-E89 HydrophobicContact CE2-CB 4.37Å; E89-L91 HydrophobicContact CG-CD2 3.88Å; E89-L91 HydrophobicContact CG-CG 4.26Å; E89-L91 WeakPolarHBondContact OE1-CD2 3.48Å; E89-R149 IonicContact OE1-CZ 2.67Å; E89-R149 IonicContact OE1-NE 2.95Å; E89-R149 PolarHBondContact OE1-NE 3.38Å; E89-R149 IonicContact OE1-NH2 3.99Å; E89-R149 PolarHBondContact OE1-NH2 3.48Å; E89-R149 VanDerWaalsContact OE1-NH2 3.1Å; E89-R149 IonicContact OE2-NE 2.81Å
90Y93.1Very high90Very high56 Ų5634.3 Ų34.322%0.2219%0.19CC..  trans-94.3120.4175.6171.6-109.9000110L19 V29 K38 L88 P92L19-Y90 HydrophobicContact CD1-CD2 4.15Å; L19-Y90 HydrophobicContact CD1-CE2 4.04Å; L19-Y90 HydrophobicContact CD2-CE2 4.16Å; V29-Y90 HydrophobicContact CG1-CE2 4.49Å; V29-Y90 HydrophobicContact CG2-CD2 4.25Å; V29-Y90 HydrophobicContact CG2-CE2 3.71Å; K38-Y90 HydrophobicContact CB-CD1 3.58Å; K38-Y90 HydrophobicContact CB-CE1 4.28Å; K38-Y90 HydrophobicContact CB-CG 3.99Å; K38-Y90 HydrophobicContact CD-CD1 3.72Å; K38-Y90 HydrophobicContact CD-CE1 3.51Å; K38-Y90 HydrophobicContact CG-CD1 4.3Å; L88-Y90 PolarHBondContact O-N 2.96Å; Y90-P92 HydrophobicContact CE1-CB 3.87Å; Y90-P92 HydrophobicContact CE1-CG 4.42Å; Y90-P92 WeakPolarHBondContact O-CD 3.29Å
91L90.7Very high89.4Confident20 Ų2035.5 Ų35.511%0.10519%0.194CC..  trans-115.3101.5-171.8-64.3173.5000110.4E89 L141 D143 R149 I151E89-L91 HydrophobicContact CG-CD2 3.88Å; E89-L91 HydrophobicContact CG-CG 4.26Å; E89-L91 WeakPolarHBondContact OE1-CD2 3.48Å; L91-L141 HydrophobicContact CB-CB 4.22Å; L91-L141 HydrophobicContact CB-CD1 3.92Å; L91-L141 HydrophobicContact CD1-CB 4.01Å; L91-L141 HydrophobicContact CD1-CD1 4.03Å; L91-D143 HydrophobicContact CD2-CB 4.38Å; L91-R149 HydrophobicContact CD1-CB 3.47Å; L91-R149 VanDerWaalsContact CD1-CB 3.47Å; L91-R149 HydrophobicContact CD1-CG 3.79Å; L91-R149 HydrophobicContact CD2-CB 4.36Å; L91-R149 HydrophobicContact CD2-CG 3.72Å; L91-R149 HydrophobicContact CG-CG 4.42Å; L91-I151 HydrophobicContact CD1-CG2 4.23Å
92P84Confident88.8Confident54 Ų5432.4 Ų32.435%0.35118%0.18SC..THydrogen-bonded Turntrans-83.3-12.6-171.932.6-36.8000114.7Y90 G94 N144Y90-P92 HydrophobicContact CE1-CB 3.87Å; Y90-P92 HydrophobicContact CE1-CG 4.42Å; Y90-P92 WeakPolarHBondContact O-CD 3.29Å; P92-G94 VanDerWaalsContact C-N 3.27Å; P92-G94 PolarHBondContact O-N 2.92Å; P92-N144 WeakPolarHBondContact CG-OD1 3.39Å
93G82.4Confident88.4Confident39 Ų3933.3 Ų33.340%0.40218%0.178SC..THydrogen-bonded Turntrans-74.3-10.5-174.100000115.1L142G93-L142 WeakPolarHBondContact CA-O 3.45Å; G93-L142 PolarHBondContact N-O 3.29Å
94G84.3Confident87.8Confident29 Ų2937 Ų3730%0.29920%0.196SC..  trans83.5-171.2177.400000114.2P92 L141 L142P92-G94 VanDerWaalsContact C-N 3.27Å; P92-G94 PolarHBondContact O-N 2.92Å; G94-L141 CarbonylContact O-C 3.55Å; G94-L141 VanDerWaalsContact O-CA 3.26Å; G94-L141 WeakPolarHBondContact O-CA 3.37Å; G94-L142 PolarHBondContact O-N 3.17Å
95E86.1Confident87.4Confident52 Ų5241.9 Ų41.924%0.24322%0.218CC..BIsolated β-bridgetrans-76.2140179.5-63.7178.3-14800111.2F97 D98 Y99 E138 L141 R748E95-F97 HydrophobicContact CB-CB 4.23Å; E95-F97 PolarHBondContact O-N 2.89Å; E95-F97 VanDerWaalsContact O-N 3.15Å; E95-D98 PolarHBondContact O-N 3.34Å; E95-Y99 PolarHBondContact O-N 2.81Å; E95-E138 VanDerWaalsContact OE2-CG 3.25Å; E95-E138 WeakPolarHBondContact OE2-CG 3.14Å; E95-L141 HydrophobicContact CB-CD2 4.39Å; E95-L141 HydrophobicContact CG-CD2 3.9Å; E95-R748 IonicContact OE1-NH2 2.67Å; E95-R748 PolarHBondContact OE1-NH2 3.48Å; E95-R748 IonicContact OE2-NH2 2.71Å; E95-R748 PolarHBondContact OE2-NH2 2.93Å
96L89.9Confident87.3Confident0 Ų041.2 Ų41.20%022%0.216CC..Hα-helixtrans-57.5-28.2170.6177.163.1000111.4Y99 I100 I114 I118 P137 I140 L142 L202L96-Y99 HydrophobicContact CD1-CD1 4.49Å; L96-Y99 WeakPolarHBondContact O-CB 3.43Å; L96-Y99 PolarHBondContact O-N 3.02Å; L96-I100 HydrophobicContact CG-CD1 4.29Å; L96-I100 WeakPolarHBondContact O-CG1 3.18Å; L96-I100 PolarHBondContact O-N 2.9Å; L96-I114 HydrophobicContact CD1-CD1 4.26Å; L96-I114 HydrophobicContact CD1-CG2 3.96Å; L96-I114 HydrophobicContact CD2-CG2 4.13Å; L96-I118 HydrophobicContact CD2-CD1 4.01Å; L96-P137 HydrophobicContact CB-CB 4.5Å; L96-P137 PolarHBondContact N-O 3.24Å; L96-I140 HydrophobicContact CB-CB 3.99Å; L96-I140 HydrophobicContact CB-CG2 3.93Å; L96-I140 WeakPolarHBondContact CB-O 3.37Å; L96-I140 HydrophobicContact CD2-CB 4.1Å; L96-I140 HydrophobicContact CD2-CD1 4.12Å; L96-I140 HydrophobicContact CD2-CG2 3.75Å; L96-I140 HydrophobicContact CG-CG2 4.46Å; L96-I140 PolarHBondContact N-O 3.12Å; L96-L142 HydrophobicContact CD1-CD2 4.38Å; L96-L202 HydrophobicContact CD1-CD2 4.08Å; L96-L202 HydrophobicContact CD2-CD2 4.36Å; L96-L202 HydrophobicContact CG-CD2 4.46Å
97F84.4Confident87.2Confident2 Ų244.3 Ų44.31%0.00924%0.238CC..Hα-helixtrans-55.8-50.3171.3179.8-101.7000113.2E95 Y99 I100 L101 P137 S753 F754 T757E95-F97 HydrophobicContact CB-CB 4.23Å; E95-F97 PolarHBondContact O-N 2.89Å; E95-F97 VanDerWaalsContact O-N 3.15Å; F97-Y99 PolarHBondContact O-N 3.43Å; F97-I100 PolarHBondContact O-N 2.97Å; F97-L101 HydrophobicContact CD1-CD1 4.15Å; F97-L101 HydrophobicContact CD1-CG 4.25Å; F97-L101 HydrophobicContact CE1-CD1 3.21Å; F97-L101 HydrophobicContact CE1-CD2 4.34Å; F97-L101 HydrophobicContact CE1-CG 3.56Å; F97-L101 HydrophobicContact CE2-CD1 4.48Å; F97-L101 HydrophobicContact CE2-CD2 4.19Å; F97-L101 HydrophobicContact CE2-CG 4.07Å; F97-L101 HydrophobicContact CZ-CD1 3.42Å; F97-L101 VanDerWaalsContact CZ-CD1 3.42Å; F97-L101 HydrophobicContact CZ-CD2 3.73Å; F97-L101 HydrophobicContact CZ-CG 3.45Å; F97-L101 VanDerWaalsContact CZ-CG 3.45Å; F97-L101 PolarHBondContact O-N 2.87Å; F97-P137 HydrophobicContact CB-CB 3.9Å; F97-P137 PolarHBondContact N-O 3.34Å; F97-S753 WeakPolarHBondContact CD1-OG 3.03Å; F97-S753 WeakPolarHBondContact CE1-OG 3.48Å; F97-S753 VanDerWaalsContact CZ-CB 3.46Å; F97-S753 VanDerWaalsContact CZ-O 3.24Å; F97-S753 WeakPolarHBondContact CZ-O 3.38Å; F97-F754 HydrophobicContact CD2-CD2 4.02Å; F97-F754 AromaticContact CD2-CE2 3.78Å; F97-F754 HydrophobicContact CD2-CE2 3.78Å; F97-F754 HydrophobicContact CD2-CZ 4.14Å; F97-F754 HydrophobicContact CE2-CB 4.47Å; F97-F754 AromaticContact CE2-CD1 3.89Å; F97-F754 HydrophobicContact CE2-CD1 3.89Å; F97-F754 AromaticContact CE2-CD2 3.56Å; F97-F754 HydrophobicContact CE2-CD2 3.56Å; F97-F754 AromaticContact CE2-CE1 3.9Å; F97-F754 HydrophobicContact CE2-CE1 3.9Å; F97-F754 AromaticContact CE2-CE2 3.59Å; F97-F754 HydrophobicContact CE2-CE2 3.59Å; F97-F754 AromaticContact CE2-CG 3.71Å; F97-F754 HydrophobicContact CE2-CG 3.71Å; F97-F754 AromaticContact CE2-CZ 3.75Å; F97-F754 HydrophobicContact CE2-CZ 3.75Å; F97-F754 HydrophobicContact CZ-CG 4.49Å; F97-T757 WeakPolarHBondContact CZ-OG1 2.97Å
98D79.7Confident87.2Confident69 Ų6946 Ų4637%0.36925%0.245SC..Hα-helixtrans-64.7-33.5-178.7-72.9-27.6000110.7E95 L101 Q102E95-D98 PolarHBondContact O-N 3.34Å; D98-L101 PolarHBondContact O-N 3.04Å; D98-Q102 VanDerWaalsContact O-CB 3.3Å; D98-Q102 WeakPolarHBondContact O-CB 3.5Å; D98-Q102 PolarHBondContact O-N 3.42Å
99Y85.6Confident87.1Confident22 Ų2250.5 Ų50.59%0.08627%0.273CS..Hα-helixtrans-61.8-47.8173-167.8-92.9000112.4E95 L96 F97 Q102 K103 L106 E110 I114 L142E95-Y99 PolarHBondContact O-N 2.81Å; L96-Y99 HydrophobicContact CD1-CD1 4.49Å; L96-Y99 WeakPolarHBondContact O-CB 3.43Å; L96-Y99 PolarHBondContact O-N 3.02Å; F97-Y99 PolarHBondContact O-N 3.43Å; Y99-Q102 PolarHBondContact O-N 3.37Å; Y99-K103 HydrophobicContact CD1-CG 4.3Å; Y99-K103 HydrophobicContact CE1-CG 3.91Å; Y99-K103 WeakPolarHBondContact O-CG 2.93Å; Y99-K103 PolarHBondContact O-N 3.3Å; Y99-K103 WeakPolarHBondContact OH-CE 3.3Å; Y99-K103 PolarHBondContact OH-NZ 3.37Å; Y99-L106 HydrophobicContact CD1-CD1 4.41Å; Y99-L106 HydrophobicContact CD1-CD2 4.39Å; Y99-L106 HydrophobicContact CE1-CD1 4.44Å; Y99-L106 HydrophobicContact CE1-CD2 4.05Å; Y99-L106 HydrophobicContact CE1-CG 4.29Å; Y99-E110 WeakPolarHBondContact CE1-OE1 3.19Å; Y99-E110 PolarHBondContact OH-OE1 3.33Å; Y99-I114 HydrophobicContact CD1-CD1 4.29Å; Y99-I114 HydrophobicContact CE1-CD1 4.01Å; Y99-L142 HydrophobicContact CD2-CD1 3.77Å; Y99-L142 HydrophobicContact CG-CD1 3.91Å
100I87.2Confident87.1Confident1 Ų152.3 Ų52.31%0.00528%0.281CS..Hα-helixtrans-59.8-47.7176.1-65.7165.1000110.3L96 F97 Q102 K103 E104 L106 P137 A201 L202 F754L96-I100 HydrophobicContact CG-CD1 4.29Å; L96-I100 WeakPolarHBondContact O-CG1 3.18Å; L96-I100 PolarHBondContact O-N 2.9Å; F97-I100 PolarHBondContact O-N 2.97Å; I100-Q102 VanDerWaalsContact C-N 3.34Å; I100-Q102 PolarHBondContact O-N 3.46Å; I100-K103 PolarHBondContact O-N 3.49Å; I100-E104 CarbonylContact O-C 3.58Å; I100-E104 PolarHBondContact O-N 3.43Å; I100-L106 HydrophobicContact CG1-CD1 4.23Å; I100-P137 HydrophobicContact CD1-CB 4.46Å; I100-P137 HydrophobicContact CD1-CG 4.46Å; I100-A201 HydrophobicContact CD1-CB 4.32Å; I100-L202 HydrophobicContact CD1-CD2 3.8Å; I100-L202 HydrophobicContact CD1-CG 4.2Å; I100-L202 HydrophobicContact CG1-CD2 3.8Å; I100-F754 HydrophobicContact CG2-CZ 4.36Å
101L80.5Confident87.2Confident62 Ų6249.6 Ų49.633%0.32527%0.271SS..Hα-helixtrans-60.7-41.2177.4-75.3-164.3000113F97 D98 K103 E104 T757F97-L101 HydrophobicContact CD1-CD1 4.15Å; F97-L101 HydrophobicContact CD1-CG 4.25Å; F97-L101 HydrophobicContact CE1-CD1 3.21Å; F97-L101 HydrophobicContact CE1-CD2 4.34Å; F97-L101 HydrophobicContact CE1-CG 3.56Å; F97-L101 HydrophobicContact CE2-CD1 4.48Å; F97-L101 HydrophobicContact CE2-CD2 4.19Å; F97-L101 HydrophobicContact CE2-CG 4.07Å; F97-L101 HydrophobicContact CZ-CD1 3.42Å; F97-L101 VanDerWaalsContact CZ-CD1 3.42Å; F97-L101 HydrophobicContact CZ-CD2 3.73Å; F97-L101 HydrophobicContact CZ-CG 3.45Å; F97-L101 VanDerWaalsContact CZ-CG 3.45Å; F97-L101 PolarHBondContact O-N 2.87Å; D98-L101 PolarHBondContact O-N 3.04Å; L101-K103 VanDerWaalsContact C-N 3.33Å; L101-E104 PolarHBondContact O-N 3.28Å; L101-T757 HydrophobicContact CD1-CG2 3.94Å; L101-T757 HydrophobicContact CD2-CG2 4.03Å
102Q79.7Confident87.5Confident124 Ų12449.1 Ų49.158%0.57927%0.268SS*.Hα-helixtrans-67-35.1-179179.4176.9-15.800112.3D98 Y99 I100D98-Q102 VanDerWaalsContact O-CB 3.3Å; D98-Q102 WeakPolarHBondContact O-CB 3.5Å; D98-Q102 PolarHBondContact O-N 3.42Å; Y99-Q102 PolarHBondContact O-N 3.37Å; I100-Q102 VanDerWaalsContact C-N 3.34Å; I100-Q102 PolarHBondContact O-N 3.46Å
103K83.7Confident87.9Confident85 Ų8550.1 Ų50.137%0.3727%0.272SS..Hα-helixtrans-83.8-12.4177.3-66.6-61.7-173.798.20113.5Y99 I100 L101 H105 L106 E110Y99-K103 HydrophobicContact CD1-CG 4.3Å; Y99-K103 HydrophobicContact CE1-CG 3.91Å; Y99-K103 WeakPolarHBondContact O-CG 2.93Å; Y99-K103 PolarHBondContact O-N 3.3Å; Y99-K103 WeakPolarHBondContact OH-CE 3.3Å; Y99-K103 PolarHBondContact OH-NZ 3.37Å; I100-K103 PolarHBondContact O-N 3.49Å; L101-K103 VanDerWaalsContact C-N 3.33Å; K103-H105 PolarHBondContact O-N 3.07Å; K103-L106 HydrophobicContact CB-CD1 4.1Å; K103-L106 HydrophobicContact CG-CD1 4.49Å; K103-E110 IonicContact NZ-OE1 3.38Å; K103-E110 PolarHBondContact NZ-OE1 3.21Å; K103-E110 IonicContact NZ-OE2 2.77Å
104E80.6Confident88.5Confident120 Ų12048.8 Ų48.856%0.56126%0.256SS*.SBendtrans64.8-50.1-165.5-57.9168.9-15800112.7I100 L101 G205 R694I100-E104 CarbonylContact O-C 3.58Å; I100-E104 PolarHBondContact O-N 3.43Å; L101-E104 PolarHBondContact O-N 3.28Å; E104-G205 WeakPolarHBondContact O-CA 3.27Å; E104-R694 IonicContact OE1-NH2 3.72Å; E104-R694 PolarHBondContact OE1-NH2 3.47Å
105H85.9Confident89.1Confident111 Ų11147.4 Ų47.451%0.51424%0.242SC..SBendtrans-156.3162.7167.961.8-69.9000109.3K103K103-H105 PolarHBondContact O-N 3.07Å
106L92.3Very high89.6Confident3 Ų346 Ų462%0.01623%0.234CC..  trans-102.7149.3-179.9-73.965.6000110.8Y99 I100 K103 E110 A111 I114 L202Y99-L106 HydrophobicContact CD1-CD1 4.41Å; Y99-L106 HydrophobicContact CD1-CD2 4.39Å; Y99-L106 HydrophobicContact CE1-CD1 4.44Å; Y99-L106 HydrophobicContact CE1-CD2 4.05Å; Y99-L106 HydrophobicContact CE1-CG 4.29Å; I100-L106 HydrophobicContact CG1-CD1 4.23Å; K103-L106 HydrophobicContact CB-CD1 4.1Å; K103-L106 HydrophobicContact CG-CD1 4.49Å; L106-E110 HydrophobicContact CB-CB 4.41Å; L106-E110 HydrophobicContact CD2-CG 4.08Å; L106-E110 HydrophobicContact CG-CG 4.28Å; L106-A111 HydrophobicContact CB-CB 4.04Å; L106-A111 HydrophobicContact CD2-CB 4.42Å; L106-I114 HydrophobicContact CD2-CD1 3.66Å; L106-L202 WeakPolarHBondContact CB-O 3.28Å; L106-L202 HydrophobicContact CD1-CD2 4.44Å; L106-L202 HydrophobicContact CD2-CD2 3.7Å; L106-L202 PolarHBondContact N-O 3.41Å
107S94.6Very high89.8Confident65 Ų6546.6 Ų46.646%0.45524%0.237SC..  trans-63.1152.9165.969.30000110.6V109 E110 A111S107-V109 PolarHBondContact O-N 3.26Å; S107-V109 VanDerWaalsContact O-N 3.13Å; S107-E110 PolarHBondContact O-N 2.88Å; S107-E110 VanDerWaalsContact O-N 3.13Å; S107-E110 WeakPolarHBondContact OG-CB 3.46Å; S107-E110 PolarHBondContact OG-N 3.47Å; S107-A111 WeakPolarHBondContact O-CB 3.34Å; S107-A111 PolarHBondContact O-N 2.84Å
108E95.9Very high90.4Very high35 Ų3546.5 Ų46.516%0.16424%0.237CC..Hα-helixtrans-57.7-31.3177.1-62-155.2172.600112.4R112 L203 L232 S233 S236 W262E108-R112 WeakPolarHBondContact O-CB 3.21Å; E108-R112 PolarHBondContact O-N 3.08Å; E108-R112 PolarHBondContact O-NH1 2.9Å; E108-L203 HydrophobicContact CB-CD2 4.48Å; E108-L203 HydrophobicContact CG-CD2 4.01Å; E108-L232 HydrophobicContact CG-CD2 4.48Å; E108-S233 WeakPolarHBondContact OE1-CB 3.18Å; E108-S233 PolarHBondContact OE1-N 2.99Å; E108-S233 PolarHBondContact OE1-OG 3.04Å; E108-S233 VanDerWaalsContact OE2-CB 3.3Å; E108-S233 WeakPolarHBondContact OE2-CB 3.42Å; E108-S233 PolarHBondContact OE2-OG 3.34Å; E108-S236 WeakPolarHBondContact OE1-CB 3.33Å; E108-S236 PolarHBondContact OE1-OG 2.93Å; E108-S236 PolarHBondContact OE2-OG 2.82Å; E108-W262 HydrophobicContact CB-CZ2 4.25Å; E108-W262 PolarHBondContact OE2-NE1 3.33Å
109V94.6Very high91.2Very high100 Ų10043.2 Ų43.261%0.60622%0.219SC*.Hα-helixtrans-64.6-49.8176.6-178.90000111.4S107 R112 V113S107-V109 PolarHBondContact O-N 3.26Å; S107-V109 VanDerWaalsContact O-N 3.13Å; V109-R112 PolarHBondContact O-N 3.37Å; V109-V113 PolarHBondContact O-N 3.32Å
110E94.1Very high91.6Very high49 Ų4942.6 Ų42.623%0.22922%0.218CC..Hα-helixtrans-68-46.6179.9-171.2-178.6179.200111.6Y99 K103 L106 S107 R112 V113 I114Y99-E110 WeakPolarHBondContact CE1-OE1 3.19Å; Y99-E110 PolarHBondContact OH-OE1 3.33Å; K103-E110 IonicContact NZ-OE1 3.38Å; K103-E110 PolarHBondContact NZ-OE1 3.21Å; K103-E110 IonicContact NZ-OE2 2.77Å; L106-E110 HydrophobicContact CB-CB 4.41Å; L106-E110 HydrophobicContact CD2-CG 4.08Å; L106-E110 HydrophobicContact CG-CG 4.28Å; S107-E110 PolarHBondContact O-N 2.88Å; S107-E110 VanDerWaalsContact O-N 3.13Å; S107-E110 WeakPolarHBondContact OG-CB 3.46Å; S107-E110 PolarHBondContact OG-N 3.47Å; E110-R112 VanDerWaalsContact C-N 3.27Å; E110-R112 PolarHBondContact O-N 3.07Å; E110-V113 PolarHBondContact O-N 3.34Å; E110-I114 PolarHBondContact O-N 3.01Å
111A96.2Very high91.9Very high0 Ų042.5 Ų42.50%022%0.217CC..Hα-helixtrans-58.4-38.7175.700000111.8L106 S107 F115 L202 L203 W262L106-A111 HydrophobicContact CB-CB 4.04Å; L106-A111 HydrophobicContact CD2-CB 4.42Å; S107-A111 WeakPolarHBondContact O-CB 3.34Å; S107-A111 PolarHBondContact O-N 2.84Å; A111-F115 WeakPolarHBondContact O-CB 3.31Å; A111-F115 PolarHBondContact O-N 3.3Å; A111-L202 HydrophobicContact CB-CB 4.1Å; A111-L203 HydrophobicContact CB-CD2 3.71Å; A111-L203 HydrophobicContact CB-CG 4.45Å; A111-W262 HydrophobicContact CB-CH2 4.34Å
112R95.8Very high92.6Very high10 Ų1039.6 Ų39.64%0.03820%0.202CC..Hα-helixtrans-66.3-36.4178.3-172-173.4-62.7111.3-11.7112.6E108 V109 E110 R116 W262 E265E108-R112 WeakPolarHBondContact O-CB 3.21Å; E108-R112 PolarHBondContact O-N 3.08Å; E108-R112 PolarHBondContact O-NH1 2.9Å; V109-R112 PolarHBondContact O-N 3.37Å; E110-R112 VanDerWaalsContact C-N 3.27Å; E110-R112 PolarHBondContact O-N 3.07Å; R112-R116 WeakPolarHBondContact O-CB 3.42Å; R112-R116 WeakPolarHBondContact O-CD 3.34Å; R112-R116 WeakPolarHBondContact O-CG 3.18Å; R112-R116 PolarHBondContact O-N 2.81Å; R112-W262 VanDerWaalsContact CA-CH2 3.41Å; R112-W262 HydrophobicContact CB-CH2 3.6Å; R112-W262 HydrophobicContact CB-CZ2 3.85Å; R112-W262 HydrophobicContact CB-CZ3 4Å; R112-W262 WeakPolarHBondContact CD-O 3.4Å; R112-W262 HydrophobicContact CG-CE3 4.29Å; R112-W262 HydrophobicContact CG-CH2 4.17Å; R112-W262 HydrophobicContact CG-CZ2 4.48Å; R112-W262 HydrophobicContact CG-CZ3 4.06Å; R112-W262 PolarHBondContact NE-O 3.23Å; R112-E265 IonicContact CZ-OE1 3.32Å; R112-E265 IonicContact CZ-OE2 3.67Å; R112-E265 IonicContact NE-OE2 3.29Å; R112-E265 IonicContact NH2-OE1 3.42Å; R112-E265 PolarHBondContact NH2-OE1 2.96Å; R112-E265 VanDerWaalsContact NH2-OE1 3.12Å; R112-E265 IonicContact NH2-OE2 3.88Å; R112-E265 PolarHBondContact NH2-OE2 3.31Å
113V93.7Very high93.3Very high74 Ų7433.7 Ų33.745%0.44818%0.175SC..Hα-helixtrans-62.4-55.2175.31740000110.1V109 E110 F115 R116 Q117V109-V113 PolarHBondContact O-N 3.32Å; E110-V113 PolarHBondContact O-N 3.34Å; V113-F115 PolarHBondContact O-N 3.42Å; V113-R116 PolarHBondContact O-N 2.98Å; V113-Q117 WeakPolarHBondContact O-CG 3.44Å; V113-Q117 PolarHBondContact O-N 2.81Å
114I94.8Very high93.7Very high11 Ų1130 Ų306%0.05616%0.158CC..Hα-helixtrans-59-47178.4-69.5168.2000110.7L96 Y99 L106 E110 R116 Q117 I118 V148 L202L96-I114 HydrophobicContact CD1-CD1 4.26Å; L96-I114 HydrophobicContact CD1-CG2 3.96Å; L96-I114 HydrophobicContact CD2-CG2 4.13Å; Y99-I114 HydrophobicContact CD1-CD1 4.29Å; Y99-I114 HydrophobicContact CE1-CD1 4.01Å; L106-I114 HydrophobicContact CD2-CD1 3.66Å; E110-I114 PolarHBondContact O-N 3.01Å; I114-R116 PolarHBondContact O-N 3.16Å; I114-Q117 WeakPolarHBondContact O-CB 3.22Å; I114-Q117 PolarHBondContact O-N 2.89Å; I114-Q117 VanDerWaalsContact O-N 3.13Å; I114-I118 HydrophobicContact CG2-CD1 3.93Å; I114-I118 WeakPolarHBondContact O-CG1 3.2Å; I114-I118 PolarHBondContact O-N 2.87Å; I114-I118 VanDerWaalsContact O-N 3.13Å; I114-V148 HydrophobicContact CG2-CG2 3.88Å; I114-L202 HydrophobicContact CG2-CD1 4.27Å; I114-L202 HydrophobicContact CG2-CD2 4.23Å
115F96.8Very high94.2Very high0 Ų024.3 Ų24.30%013%0.132CC..Hα-helixtrans-65.7-34.7-176.4-166.6-106.8000113A111 V113 Q117 I118 V119 L195 L199 L202 M243 L257 W262A111-F115 WeakPolarHBondContact O-CB 3.31Å; A111-F115 PolarHBondContact O-N 3.3Å; V113-F115 PolarHBondContact O-N 3.42Å; F115-Q117 VanDerWaalsContact C-N 3.33Å; F115-Q117 PolarHBondContact O-N 3.35Å; F115-I118 PolarHBondContact O-N 3.48Å; F115-V119 HydrophobicContact CD1-CG2 3.76Å; F115-V119 HydrophobicContact CE1-CG2 3.41Å; F115-V119 VanDerWaalsContact CE1-CG2 3.41Å; F115-V119 HydrophobicContact CE2-CG2 4.32Å; F115-V119 HydrophobicContact CG-CG2 4.36Å; F115-V119 HydrophobicContact CZ-CG2 3.71Å; F115-V119 VanDerWaalsContact O-CG2 3.27Å; F115-V119 WeakPolarHBondContact O-CG2 3.45Å; F115-V119 PolarHBondContact O-N 3.5Å; F115-L195 HydrophobicContact CE2-CB 4.09Å; F115-L195 HydrophobicContact CE2-CD2 4.36Å; F115-L195 WeakPolarHBondContact CE2-O 3.39Å; F115-L195 HydrophobicContact CZ-CB 4.12Å; F115-L199 HydrophobicContact CB-CD1 4.33Å; F115-L199 HydrophobicContact CD1-CD1 4.32Å; F115-L199 HydrophobicContact CD2-CB 4.01Å; F115-L199 HydrophobicContact CD2-CD1 4.1Å; F115-L199 HydrophobicContact CE1-CD2 4.23Å; F115-L199 HydrophobicContact CE2-CB 3.74Å; F115-L199 HydrophobicContact CG-CD1 3.99Å; F115-L199 HydrophobicContact CZ-CB 4.13Å; F115-L199 HydrophobicContact CZ-CD2 4.32Å; F115-L202 HydrophobicContact CB-CD1 4.48Å; F115-L202 HydrophobicContact CD2-CD1 4.4Å; F115-M243 HydrophobicContact CE1-CE 4.13Å; F115-M243 HydrophobicContact CE1-SD 4.23Å; F115-M243 HydrophobicContact CE2-CE 4.26Å; F115-M243 HydrophobicContact CZ-CE 3.49Å; F115-M243 VanDerWaalsContact CZ-CE 3.49Å; F115-M243 HydrophobicContact CZ-SD 3.83Å; F115-L257 HydrophobicContact CE1-CD1 4.23Å; F115-W262 HydrophobicContact CB-CZ3 4.24Å; F115-W262 AromaticContact CD1-CZ3 3.91Å; F115-W262 HydrophobicContact CD1-CZ3 3.91Å; F115-W262 HydrophobicContact CG-CZ3 4.35Å
116R95.5Very high94.5Very high23 Ų2320.2 Ų20.29%0.08711%0.113CC..Hα-helixtrans-58.6-43.4171.4-78.8163169.3159.1-3.3112.2R112 V113 I114 V119 S120 V263 V264 E265 F267 P271 V272R112-R116 WeakPolarHBondContact O-CB 3.42Å; R112-R116 WeakPolarHBondContact O-CD 3.34Å; R112-R116 WeakPolarHBondContact O-CG 3.18Å; R112-R116 PolarHBondContact O-N 2.81Å; V113-R116 PolarHBondContact O-N 2.98Å; I114-R116 PolarHBondContact O-N 3.16Å; R116-V119 PolarHBondContact O-N 3.16Å; R116-S120 WeakPolarHBondContact O-CB 3.39Å; R116-S120 PolarHBondContact O-N 2.82Å; R116-V263 HydrophobicContact CG-CG1 4.24Å; R116-V263 PolarHBondContact NE-O 2.88Å; R116-V263 PolarHBondContact NH2-O 2.67Å; R116-V264 VanDerWaalsContact NH2-C 3.29Å; R116-V264 PolarHBondContact NH2-O 2.7Å; R116-E265 PolarHBondContact NH2-O 3.48Å; R116-F267 VanDerWaalsContact NH1-CD2 3.28Å; R116-P271 HydrophobicContact CG-CB 4.3Å; R116-P271 HydrophobicContact CG-CG 4.41Å; R116-V272 HydrophobicContact CB-CG2 4.16Å; R116-V272 HydrophobicContact CG-CG2 4.33Å; R116-V272 WeakPolarHBondContact O-CG2 3.32Å
117Q94.5Very high94.4Very high13 Ų1323.4 Ų23.46%0.06114%0.135CC..Hα-helixtrans-63.8-44.2179.3-59.9-178.2-15.700111Y70 V113 I114 F115 S120 A121 N147 V148Y70-Q117 HydrophobicContact CD1-CB 4.28Å; Y70-Q117 HydrophobicContact CD1-CG 4.45Å; Y70-Q117 HydrophobicContact CD2-CB 3.57Å; Y70-Q117 HydrophobicContact CD2-CG 4.08Å; Y70-Q117 VanDerWaalsContact CD2-O 3.32Å; Y70-Q117 WeakPolarHBondContact CD2-O 3.41Å; Y70-Q117 HydrophobicContact CE1-CB 4.31Å; Y70-Q117 HydrophobicContact CE1-CG 4Å; Y70-Q117 HydrophobicContact CE2-CB 3.62Å; Y70-Q117 HydrophobicContact CE2-CG 3.61Å; Y70-Q117 HydrophobicContact CG-CB 3.95Å; V113-Q117 WeakPolarHBondContact O-CG 3.44Å; V113-Q117 PolarHBondContact O-N 2.81Å; I114-Q117 WeakPolarHBondContact O-CB 3.22Å; I114-Q117 PolarHBondContact O-N 2.89Å; I114-Q117 VanDerWaalsContact O-N 3.13Å; F115-Q117 VanDerWaalsContact C-N 3.33Å; F115-Q117 PolarHBondContact O-N 3.35Å; Q117-S120 PolarHBondContact O-N 2.86Å; Q117-A121 PolarHBondContact O-N 3.21Å; Q117-A121 VanDerWaalsContact O-N 3.07Å; Q117-N147 PolarHBondContact NE2-OD1 2.84Å; Q117-N147 VanDerWaalsContact OE1-CA 3.28Å; Q117-V148 HydrophobicContact CB-CB 3.9Å; Q117-V148 HydrophobicContact CB-CG2 4.23Å
118I96.5Very high94.1Very high0 Ų025.1 Ų25.10%013%0.132CC..Hα-helixtrans-59.7-51.8173.9-58167.5000110.6L96 I114 F115 S120 A121 I122 I140 V148 I150 L195 I198L96-I118 HydrophobicContact CD2-CD1 4.01Å; I114-I118 HydrophobicContact CG2-CD1 3.93Å; I114-I118 WeakPolarHBondContact O-CG1 3.2Å; I114-I118 PolarHBondContact O-N 2.87Å; I114-I118 VanDerWaalsContact O-N 3.13Å; F115-I118 PolarHBondContact O-N 3.48Å; I118-S120 PolarHBondContact O-N 3.34Å; I118-A121 PolarHBondContact O-N 2.89Å; I118-A121 VanDerWaalsContact O-N 3.16Å; I118-I122 HydrophobicContact CG2-CG1 4.1Å; I118-I122 WeakPolarHBondContact O-CG1 3.47Å; I118-I122 PolarHBondContact O-N 3.4Å; I118-I140 HydrophobicContact CD1-CD1 3.91Å; I118-I140 HydrophobicContact CG1-CD1 4.23Å; I118-I140 HydrophobicContact CG2-CD1 4.37Å; I118-V148 HydrophobicContact CG1-CG1 3.94Å; I118-V148 HydrophobicContact CG1-CG2 3.96Å; I118-I150 HydrophobicContact CG2-CD1 4.26Å; I118-L195 HydrophobicContact CG2-CD2 3.29Å; I118-I198 HydrophobicContact CD1-CG2 4.14Å
119V96.3Very high93.6Very high0 Ų025.2 Ų25.20%014%0.142CC..Hα-helixtrans-60.9-33.9-179.2175.80000111.7F115 R116 G123 M254 L257 R258 V272F115-V119 HydrophobicContact CD1-CG2 3.76Å; F115-V119 HydrophobicContact CE1-CG2 3.41Å; F115-V119 VanDerWaalsContact CE1-CG2 3.41Å; F115-V119 HydrophobicContact CE2-CG2 4.32Å; F115-V119 HydrophobicContact CG-CG2 4.36Å; F115-V119 HydrophobicContact CZ-CG2 3.71Å; F115-V119 VanDerWaalsContact O-CG2 3.27Å; F115-V119 WeakPolarHBondContact O-CG2 3.45Å; F115-V119 PolarHBondContact O-N 3.5Å; R116-V119 PolarHBondContact O-N 3.16Å; V119-G123 PolarHBondContact O-N 2.95Å; V119-M254 HydrophobicContact CG1-SD 3.84Å; V119-L257 HydrophobicContact CG1-CD2 4.16Å; V119-L257 HydrophobicContact CG1-CG 4.08Å; V119-L257 HydrophobicContact CG2-CD2 4.07Å; V119-L257 HydrophobicContact CG2-CG 4.33Å; V119-R258 HydrophobicContact CG1-CB 4.3Å; V119-V272 HydrophobicContact CB-CG2 4.39Å; V119-V272 HydrophobicContact CG1-CG1 4.2Å; V119-V272 HydrophobicContact CG1-CG2 4.35Å
120S94Very high93.4Very high8 Ų821.1 Ų21.16%0.05612%0.116CC..Hα-helixtrans-64.5-49.4173-175.20000112.3H68 R116 Q117 I118 G123 Y124H68-S120 VanDerWaalsContact CE1-CB 3.43Å; H68-S120 WeakPolarHBondContact CE1-CB 3.37Å; H68-S120 PolarHBondContact CE1-OG 2.94Å; H68-S120 VanDerWaalsContact NE2-C 3.28Å; H68-S120 VanDerWaalsContact NE2-CB 3.28Å; H68-S120 WeakPolarHBondContact NE2-CB 3.21Å; H68-S120 PolarHBondContact NE2-O 3.14Å; H68-S120 PolarHBondContact NE2-OG 2.78Å; R116-S120 WeakPolarHBondContact O-CB 3.39Å; R116-S120 PolarHBondContact O-N 2.82Å; Q117-S120 PolarHBondContact O-N 2.86Å; I118-S120 PolarHBondContact O-N 3.34Å; S120-G123 PolarHBondContact O-N 2.62Å; S120-Y124 WeakPolarHBondContact O-CB 3.46Å; S120-Y124 PolarHBondContact O-N 2.81Å
121A94Very high93.2Very high0 Ų019 Ų190%011%0.107CC..Hα-helixtrans-60.5-48.6177.200000112.2H68 I71 Q117 I118 Y124 I125 I150H68-A121 PolarHBondContact CE1-N 2.97Å; I71-A121 HydrophobicContact CG1-CB 4.06Å; Q117-A121 PolarHBondContact O-N 3.21Å; Q117-A121 VanDerWaalsContact O-N 3.07Å; I118-A121 PolarHBondContact O-N 2.89Å; I118-A121 VanDerWaalsContact O-N 3.16Å; A121-Y124 PolarHBondContact O-N 3.06Å; A121-I125 WeakPolarHBondContact O-CD1 3.46Å; A121-I125 VanDerWaalsContact O-CG1 3.26Å; A121-I125 WeakPolarHBondContact O-CG1 3.35Å; A121-I125 PolarHBondContact O-N 2.95Å; A121-I150 HydrophobicContact CB-CG1 3.56Å
122I95.2Very high92.9Very high0 Ų019 Ų190%011%0.107CC..Hα-helixtrans-69.5-37-177.6-54.5-42.2000111I118 Y124 I125 H126 L135 I150 D191 L195 M254I118-I122 HydrophobicContact CG2-CG1 4.1Å; I118-I122 WeakPolarHBondContact O-CG1 3.47Å; I118-I122 PolarHBondContact O-N 3.4Å; I122-Y124 VanDerWaalsContact C-N 3.33Å; I122-Y124 PolarHBondContact O-N 2.81Å; I122-I125 HydrophobicContact CD1-CD1 3.87Å; I122-I125 PolarHBondContact O-N 2.75Å; I122-H126 WeakPolarHBondContact CG2-NE2 3.43Å; I122-H126 WeakPolarHBondContact O-CB 3.47Å; I122-H126 PolarHBondContact O-CD2 3.23Å; I122-H126 VanDerWaalsContact O-CG 3.25Å; I122-H126 PolarHBondContact O-N 3.45Å; I122-L135 HydrophobicContact CD1-CD1 3.94Å; I122-L135 HydrophobicContact CD1-CD2 3.57Å; I122-L135 HydrophobicContact CD1-CG 4.38Å; I122-L135 HydrophobicContact CG1-CD1 3.9Å; I122-L135 HydrophobicContact CG1-CD2 4.3Å; I122-L135 HydrophobicContact CG2-CD1 4.19Å; I122-I150 HydrophobicContact CD1-CD1 4.33Å; I122-I150 HydrophobicContact CD1-CG1 4.12Å; I122-I150 HydrophobicContact CD1-CG2 4.32Å; I122-D191 HydrophobicContact CG2-CB 4.16Å; I122-L195 HydrophobicContact CB-CD1 4.31Å; I122-L195 HydrophobicContact CG1-CD1 4.37Å; I122-L195 HydrophobicContact CG1-CD2 4.19Å; I122-L195 HydrophobicContact CG2-CD1 4.25Å; I122-M254 HydrophobicContact CB-CE 3.96Å; I122-M254 HydrophobicContact CG2-CE 3.68Å
123G93.6Very high92.6Very high1 Ų120.1 Ų20.11%0.0111%0.111CC..Hα-helixtrans-64.6-36.9175.500000113.2V119 S120 H126 S127V119-G123 PolarHBondContact O-N 2.95Å; S120-G123 PolarHBondContact O-N 2.62Å; G123-H126 PolarHBondContact O-N 2.91Å; G123-S127 WeakPolarHBondContact O-CB 3.19Å; G123-S127 PolarHBondContact O-N 2.67Å
124Y92.1Very high92.2Very high7 Ų718.1 Ų18.13%0.02710%0.098CC..Hα-helixtrans-65.8-45.3170.7171.9-97.9000112.7L66 N67 H68 I71 S120 A121 I122 H126 S127 R128 E277L66-Y124 HydrophobicContact CB-CE1 4.09Å; L66-Y124 HydrophobicContact CD2-CD1 4Å; L66-Y124 HydrophobicContact CD2-CE1 3.57Å; L66-Y124 HydrophobicContact CG-CE1 4.45Å; N67-Y124 PolarHBondContact N-OH 2.92Å; N67-Y124 PolarHBondContact O-OH 3.25Å; H68-Y124 HydrophobicContact CB-CD1 3.68Å; H68-Y124 HydrophobicContact CB-CE1 3.79Å; H68-Y124 HydrophobicContact CB-CG 4.14Å; H68-Y124 AromaticContact CD2-CG 3.75Å; I71-Y124 HydrophobicContact CD1-CD1 3.91Å; I71-Y124 HydrophobicContact CD1-CE1 4.26Å; S120-Y124 WeakPolarHBondContact O-CB 3.46Å; S120-Y124 PolarHBondContact O-N 2.81Å; A121-Y124 PolarHBondContact O-N 3.06Å; I122-Y124 VanDerWaalsContact C-N 3.33Å; I122-Y124 PolarHBondContact O-N 2.81Å; Y124-H126 VanDerWaalsContact C-N 3.26Å; Y124-H126 PolarHBondContact O-N 3.01Å; Y124-S127 PolarHBondContact O-N 3.15Å; Y124-S127 PolarHBondContact O-OG 2.89Å; Y124-R128 HydrophobicContact CD1-CG 4.43Å; Y124-R128 HydrophobicContact CD2-CG 4.32Å; Y124-R128 HydrophobicContact CE1-CG 4.11Å; Y124-R128 HydrophobicContact CE2-CG 3.99Å; Y124-R128 WeakPolarHBondContact O-CG 3.33Å; Y124-R128 PolarHBondContact O-N 3.37Å; Y124-E277 HydrophobicContact CD2-CB 3.87Å; Y124-E277 VanDerWaalsContact CD2-OE2 3.24Å; Y124-E277 WeakPolarHBondContact CD2-OE2 3.45Å; Y124-E277 HydrophobicContact CE2-CB 3.5Å; Y124-E277 HydrophobicContact CE2-CG 4.42Å; Y124-E277 WeakPolarHBondContact CE2-OE2 3.21Å; Y124-E277 VanDerWaalsContact CZ-OE2 3.3Å
125I92.2Very high92Very high0 Ų017.7 Ų17.70%010%0.096CC..Hα-helixtrans-56-44.7175.3-69.4162.1000110.1L66 I71 A121 I122 R128 G129 F130 F153L66-I125 HydrophobicContact CD1-CG1 4.13Å; L66-I125 HydrophobicContact CD2-CG1 4.21Å; I71-I125 HydrophobicContact CD1-CD1 3.75Å; I71-I125 HydrophobicContact CD1-CG1 3.6Å; I71-I125 HydrophobicContact CG1-CD1 4.42Å; A121-I125 WeakPolarHBondContact O-CD1 3.46Å; A121-I125 VanDerWaalsContact O-CG1 3.26Å; A121-I125 WeakPolarHBondContact O-CG1 3.35Å; A121-I125 PolarHBondContact O-N 2.95Å; I122-I125 HydrophobicContact CD1-CD1 3.87Å; I122-I125 PolarHBondContact O-N 2.75Å; I125-R128 PolarHBondContact O-N 3.33Å; I125-G129 PolarHBondContact O-N 3.17Å; I125-F130 CarbonylContact C-O 3.54Å; I125-F130 HydrophobicContact CG2-CB 3.67Å; I125-F130 WeakPolarHBondContact O-CB 3.17Å; I125-F130 PolarHBondContact O-N 3.17Å; I125-F153 HydrophobicContact CD1-CE1 3.6Å; I125-F153 HydrophobicContact CD1-CZ 3.84Å; I125-F153 HydrophobicContact CG1-CE1 4.1Å
126H91.8Very high91.5Very high25 Ų2518.9 Ų18.912%0.11610%0.101CC..Hα-helixtrans-65.7-41.8177.2-67.3-177.8000112.5I122 G123 Y124 R128 G129 F130 S188 D191I122-H126 WeakPolarHBondContact CG2-NE2 3.43Å; I122-H126 WeakPolarHBondContact O-CB 3.47Å; I122-H126 PolarHBondContact O-CD2 3.23Å; I122-H126 VanDerWaalsContact O-CG 3.25Å; I122-H126 PolarHBondContact O-N 3.45Å; G123-H126 PolarHBondContact O-N 2.91Å; Y124-H126 VanDerWaalsContact C-N 3.26Å; Y124-H126 PolarHBondContact O-N 3.01Å; H126-R128 VanDerWaalsContact C-N 3.25Å; H126-R128 PolarHBondContact O-N 3.42Å; H126-G129 PolarHBondContact O-N 3.04Å; H126-F130 WeakPolarHBondContact CA-O 3.47Å; H126-F130 PolarHBondContact CD2-O 2.58Å; H126-S188 VanDerWaalsContact CE1-CA 3.41Å; H126-S188 WeakPolarHBondContact CE1-CA 3.42Å; H126-S188 PolarHBondContact CE1-O 3.23Å; H126-S188 WeakPolarHBondContact ND1-CB 3.21Å; H126-D191 IonicContact CD2-OD2 2.92Å; H126-D191 IonicContact CE1-OD2 2.76Å; H126-D191 IonicContact NE2-OD2 3.26Å; H126-D191 PolarHBondContact NE2-OD2 3.32Å
127S89.9Confident91.1Very high70 Ų7017.8 Ų17.849%0.4910%0.097SC..Hα-helixtrans-67.1-26.6178.279.80000112.9G123 Y124 G129G123-S127 WeakPolarHBondContact O-CB 3.19Å; G123-S127 PolarHBondContact O-N 2.67Å; Y124-S127 PolarHBondContact O-N 3.15Å; Y124-S127 PolarHBondContact O-OG 2.89Å; S127-G129 PolarHBondContact O-N 2.82Å
128R88Confident90.5Very high102 Ų10217.9 Ų17.939%0.38510%0.097SC..THydrogen-bonded Turntrans-80.12.3171.1-64.3-67.9-175.3156.4-3.1113.9L66 Y124 I125 H126 F130 E277L66-R128 HydrophobicContact CD2-CB 3.89Å; L66-R128 HydrophobicContact CD2-CG 3.99Å; Y124-R128 HydrophobicContact CD1-CG 4.43Å; Y124-R128 HydrophobicContact CD2-CG 4.32Å; Y124-R128 HydrophobicContact CE1-CG 4.11Å; Y124-R128 HydrophobicContact CE2-CG 3.99Å; Y124-R128 WeakPolarHBondContact O-CG 3.33Å; Y124-R128 PolarHBondContact O-N 3.37Å; I125-R128 PolarHBondContact O-N 3.33Å; H126-R128 VanDerWaalsContact C-N 3.25Å; H126-R128 PolarHBondContact O-N 3.42Å; R128-F130 HydrophobicContact CB-CD2 3.92Å; R128-F130 HydrophobicContact CB-CE2 4.41Å; R128-F130 WeakPolarHBondContact O-CD2 3.44Å; R128-E277 PolarHBondContact NH2-O 3.24Å
129G87.1Confident90.2Very high37 Ų3718.4 Ų18.438%0.38110%0.1SC..THydrogen-bonded Turntrans80.814.3176.700000114.6I125 H126 S127 K158 G159I125-G129 PolarHBondContact O-N 3.17Å; H126-G129 PolarHBondContact O-N 3.04Å; S127-G129 PolarHBondContact O-N 2.82Å; G129-K158 WeakPolarHBondContact O-CA 3.49Å; G129-G159 PolarHBondContact O-N 2.69Å
130F88.8Confident90.1Very high13 Ų1318.4 Ų18.46%0.05710%0.1CC..EExtended strand (participates in β ladder)trans-101.8162.3176.3-68-85.4000111.2A62 Q65 L66 I125 H126 R128 C156 A157 K158A62-F130 HydrophobicContact CB-CD1 4.44Å; A62-F130 HydrophobicContact CB-CE1 4.14Å; Q65-F130 HydrophobicContact CB-CE2 4.15Å; Q65-F130 HydrophobicContact CB-CZ 4.27Å; L66-F130 HydrophobicContact CD2-CD2 4.12Å; I125-F130 CarbonylContact C-O 3.54Å; I125-F130 HydrophobicContact CG2-CB 3.67Å; I125-F130 WeakPolarHBondContact O-CB 3.17Å; I125-F130 PolarHBondContact O-N 3.17Å; H126-F130 WeakPolarHBondContact CA-O 3.47Å; H126-F130 PolarHBondContact CD2-O 2.58Å; R128-F130 HydrophobicContact CB-CD2 3.92Å; R128-F130 HydrophobicContact CB-CE2 4.41Å; R128-F130 WeakPolarHBondContact O-CD2 3.44Å; F130-C156 VanDerWaalsContact CD1-SG 3.53Å; F130-A157 WeakPolarHBondContact CA-O 3.38Å; F130-K158 HydrophobicContact CD1-CB 3.94Å; F130-K158 HydrophobicContact CD1-CG 4.31Å; F130-K158 HydrophobicContact CE1-CB 3.77Å; F130-K158 HydrophobicContact CE1-CD 4.18Å; F130-K158 HydrophobicContact CE1-CG 4.11Å; F130-K158 HydrophobicContact CE2-CD 4.3Å; F130-K158 HydrophobicContact CZ-CB 4.35Å; F130-K158 HydrophobicContact CZ-CD 3.89Å; F130-K158 HydrophobicContact CZ-CG 4.22Å
131A90Very high90Very high4 Ų419.5 Ų19.53%0.03311%0.105CC..EExtended strand (participates in β ladder)trans-135.3142.8164.400000108.5R133 C156 A157 G187 D191A131-R133 HydrophobicContact CB-CG 4.06Å; A131-C156 WeakPolarHBondContact O-CA 3.38Å; A131-A157 PolarHBondContact N-O 3.05Å; A131-A157 PolarHBondContact O-N 2.83Å; A131-G187 VanDerWaalsContact CB-C 3.43Å; A131-D191 WeakPolarHBondContact CA-OD2 3.44Å
132H90.4Very high89.8Confident0 Ų019.7 Ų19.70%011%0.106CC..  trans-75.5-41.8-173.2-171.2-83.8000112.1D134 L135 I151 F153 D191H132-D134 PolarHBondContact CE1-O 2.84Å; H132-D134 VanDerWaalsContact CE1-O 3.32Å; H132-D134 VanDerWaalsContact ND1-C 3.34Å; H132-D134 PolarHBondContact ND1-N 2.93Å; H132-D134 PolarHBondContact ND1-O 2.94Å; H132-D134 PolarHBondContact O-N 2.97Å; H132-L135 HydrophobicContact CB-CD1 4.38Å; H132-L135 HydrophobicContact CB-CD2 3.91Å; H132-L135 HydrophobicContact CB-CG 3.88Å; H132-L135 VanDerWaalsContact CG-CD2 3.5Å; H132-L135 WeakPolarHBondContact ND1-CD2 2.96Å; H132-I151 PolarHBondContact NE2-O 3.1Å; H132-I151 VanDerWaalsContact NE2-O 3.15Å; H132-F153 AromaticContact CD2-CE1 3.94Å; H132-D191 PolarHBondContact N-OD2 2.85Å
133R88.8Confident89.5Confident35 Ų3520.6 Ų20.613%0.13211%0.111CC..SBendtrans64.8-8.8173.8-55.5178.7179.9-169.62.1116.9A131 G159 N161 D191A131-R133 HydrophobicContact CB-CG 4.06Å; R133-G159 PolarHBondContact NH2-O 2.86Å; R133-N161 PolarHBondContact NH1-O 2.92Å; R133-N161 PolarHBondContact NH2-O 2.93Å; R133-D191 WeakPolarHBondContact CA-OD1 3.4Å; R133-D191 PolarHBondContact N-OD1 3.18Å
134D85.5Confident89Confident32 Ų3226.7 Ų26.717%0.17114%0.143CC..  trans-13250.4173.4-167.925.2000112.2H132 K136 N139 L155H132-D134 PolarHBondContact CE1-O 2.84Å; H132-D134 VanDerWaalsContact CE1-O 3.32Å; H132-D134 VanDerWaalsContact ND1-C 3.34Å; H132-D134 PolarHBondContact ND1-N 2.93Å; H132-D134 PolarHBondContact ND1-O 2.94Å; H132-D134 PolarHBondContact O-N 2.97Å; D134-K136 IonicContact OD1-NZ 3.29Å; D134-K136 PolarHBondContact OD1-NZ 3.02Å; D134-K136 IonicContact OD2-NZ 3.92Å; D134-K136 PolarHBondContact OD2-NZ 3.41Å; D134-N139 PolarHBondContact O-ND2 3.36Å; D134-N139 PolarHBondContact OD2-ND2 3.01Å; D134-L155 HydrophobicContact CB-CB 4.4Å; D134-L155 HydrophobicContact CB-CD1 3.93Å
135L91.3Very high88.7Confident2 Ų232.6 Ų32.61%0.0118%0.175CC..  trans-78.7122.3178.4-70.7174.8000111.5I122 H132 I150 Y174 D191 L195 I198I122-L135 HydrophobicContact CD1-CD1 3.94Å; I122-L135 HydrophobicContact CD1-CD2 3.57Å; I122-L135 HydrophobicContact CD1-CG 4.38Å; I122-L135 HydrophobicContact CG1-CD1 3.9Å; I122-L135 HydrophobicContact CG1-CD2 4.3Å; I122-L135 HydrophobicContact CG2-CD1 4.19Å; H132-L135 HydrophobicContact CB-CD1 4.38Å; H132-L135 HydrophobicContact CB-CD2 3.91Å; H132-L135 HydrophobicContact CB-CG 3.88Å; H132-L135 VanDerWaalsContact CG-CD2 3.5Å; H132-L135 WeakPolarHBondContact ND1-CD2 2.96Å; L135-I150 HydrophobicContact CD2-CG2 4.41Å; L135-Y174 WeakPolarHBondContact O-CB 3.23Å; L135-D191 HydrophobicContact CD1-CB 3.73Å; L135-L195 HydrophobicContact CD1-CD2 4.14Å; L135-L195 HydrophobicContact CD1-CG 4.2Å; L135-I198 HydrophobicContact CB-CD1 4.15Å
136K86.8Confident88.4Confident24 Ų2437.6 Ų37.610%0.10420%0.199CC..  trans-158.5157.8175.958.6-178.9171.4-108.20109.6D134 E138 N139 S171 Y174D134-K136 IonicContact OD1-NZ 3.29Å; D134-K136 PolarHBondContact OD1-NZ 3.02Å; D134-K136 IonicContact OD2-NZ 3.92Å; D134-K136 PolarHBondContact OD2-NZ 3.41Å; K136-E138 WeakPolarHBondContact CB-OE2 3.24Å; K136-E138 HydrophobicContact CD-CB 4.22Å; K136-E138 WeakPolarHBondContact CD-OE2 3.41Å; K136-E138 HydrophobicContact CG-CB 4.22Å; K136-E138 WeakPolarHBondContact CG-OE2 3.42Å; K136-E138 PolarHBondContact O-N 2.88Å; K136-E138 VanDerWaalsContact O-N 3.11Å; K136-N139 WeakPolarHBondContact CE-ND2 3.48Å; K136-N139 WeakPolarHBondContact CE-OD1 3.24Å; K136-N139 HydrophobicContact CG-CB 4.06Å; K136-N139 PolarHBondContact NZ-ND2 2.57Å; K136-N139 PolarHBondContact O-N 3.45Å; K136-S171 WeakPolarHBondContact CD-OG 2.98Å; K136-S171 PolarHBondContact NZ-OG 3.03Å; K136-Y174 HydrophobicContact CB-CD1 4.34Å; K136-Y174 HydrophobicContact CB-CD2 3.76Å; K136-Y174 HydrophobicContact CB-CE1 4.47Å; K136-Y174 HydrophobicContact CB-CE2 3.87Å; K136-Y174 HydrophobicContact CB-CG 4Å
137P87.3Confident88.3Confident0 Ų038.6 Ų38.60%021%0.205CC..G310 helixtrans-58.7-21.7-179.4-25.636.6000114.9L96 F97 I100 I140 Y174 I198L96-P137 HydrophobicContact CB-CB 4.5Å; L96-P137 PolarHBondContact N-O 3.24Å; F97-P137 HydrophobicContact CB-CB 3.9Å; F97-P137 PolarHBondContact N-O 3.34Å; I100-P137 HydrophobicContact CD1-CB 4.46Å; I100-P137 HydrophobicContact CD1-CG 4.46Å; P137-I140 PolarHBondContact O-N 3.19Å; P137-I140 VanDerWaalsContact O-O 3.06Å; P137-Y174 WeakPolarHBondContact CD-OH 3.47Å; P137-Y174 HydrophobicContact CG-CE1 4.02Å; P137-I198 HydrophobicContact CG-CG1 4.23Å
138E82.2Confident88.6Confident15 Ų1535.2 Ų35.27%0.0718%0.182CC..G310 helixtrans-72.4-28.5172-59.2102130.900113.7E95 K136 I140 R748 S753E95-E138 VanDerWaalsContact OE2-CG 3.25Å; E95-E138 WeakPolarHBondContact OE2-CG 3.14Å; K136-E138 WeakPolarHBondContact CB-OE2 3.24Å; K136-E138 HydrophobicContact CD-CB 4.22Å; K136-E138 WeakPolarHBondContact CD-OE2 3.41Å; K136-E138 HydrophobicContact CG-CB 4.22Å; K136-E138 WeakPolarHBondContact CG-OE2 3.42Å; K136-E138 PolarHBondContact O-N 2.88Å; K136-E138 VanDerWaalsContact O-N 3.11Å; E138-I140 PolarHBondContact O-N 3.05Å; E138-R748 IonicContact OE1-NH1 2.86Å; E138-R748 PolarHBondContact OE1-NH1 2.77Å; E138-R748 VanDerWaalsContact OE1-NH1 3.07Å; E138-S753 WeakPolarHBondContact OE1-CB 3.37Å; E138-S753 PolarHBondContact OE1-N 3.38Å
139N90.1Very high88.9Confident11 Ų1131.1 Ų31.16%0.05917%0.166CC..G310 helixtrans-90.417.3176.3-70.9-0.1000111.6D134 K136 I151D134-N139 PolarHBondContact O-ND2 3.36Å; D134-N139 PolarHBondContact OD2-ND2 3.01Å; K136-N139 WeakPolarHBondContact CE-ND2 3.48Å; K136-N139 WeakPolarHBondContact CE-OD1 3.24Å; K136-N139 HydrophobicContact CG-CB 4.06Å; K136-N139 PolarHBondContact NZ-ND2 2.57Å; K136-N139 PolarHBondContact O-N 3.45Å; N139-I151 VanDerWaalsContact C-CG1 3.48Å; N139-I151 HydrophobicContact CB-CG1 4.4Å; N139-I151 WeakPolarHBondContact O-CG1 3.29Å; N139-I151 PolarHBondContact O-N 3.19Å
140I93.3Very high89.3Confident0 Ų029.3 Ų29.30%015%0.148CC..EExtended strand (participates in β ladder)trans-129.7109.3177.6-56.7-179.8000107.2L96 I118 P137 E138 V148 I150 I198L96-I140 HydrophobicContact CB-CB 3.99Å; L96-I140 HydrophobicContact CB-CG2 3.93Å; L96-I140 WeakPolarHBondContact CB-O 3.37Å; L96-I140 HydrophobicContact CD2-CB 4.1Å; L96-I140 HydrophobicContact CD2-CD1 4.12Å; L96-I140 HydrophobicContact CD2-CG2 3.75Å; L96-I140 HydrophobicContact CG-CG2 4.46Å; L96-I140 PolarHBondContact N-O 3.12Å; I118-I140 HydrophobicContact CD1-CD1 3.91Å; I118-I140 HydrophobicContact CG1-CD1 4.23Å; I118-I140 HydrophobicContact CG2-CD1 4.37Å; P137-I140 PolarHBondContact O-N 3.19Å; P137-I140 VanDerWaalsContact O-O 3.06Å; E138-I140 PolarHBondContact O-N 3.05Å; I140-V148 HydrophobicContact CG2-CB 4.43Å; I140-V148 HydrophobicContact CG2-CG1 3.79Å; I140-V148 HydrophobicContact CG2-CG2 4.09Å; I140-I150 HydrophobicContact CD1-CD1 4.09Å; I140-I150 HydrophobicContact CG1-CD1 3.79Å; I140-I150 HydrophobicContact CG2-CD1 4.26Å; I140-I198 HydrophobicContact CD1-CD1 4.02Å
141L92.3Very high89.4Confident32 Ų3230.1 Ų30.117%0.16815%0.152CC..EExtended strand (participates in β ladder)trans-97.4164.9175.5-60.1-169.1000111.2L91 G94 E95 R149 I151L91-L141 HydrophobicContact CB-CB 4.22Å; L91-L141 HydrophobicContact CB-CD1 3.92Å; L91-L141 HydrophobicContact CD1-CB 4.01Å; L91-L141 HydrophobicContact CD1-CD1 4.03Å; G94-L141 CarbonylContact O-C 3.55Å; G94-L141 VanDerWaalsContact O-CA 3.26Å; G94-L141 WeakPolarHBondContact O-CA 3.37Å; E95-L141 HydrophobicContact CB-CD2 4.39Å; E95-L141 HydrophobicContact CG-CD2 3.9Å; L141-R149 PolarHBondContact N-O 3.35Å; L141-R149 PolarHBondContact O-N 3.33Å; L141-I151 HydrophobicContact CB-CG2 4.48Å; L141-I151 HydrophobicContact CD1-CD1 3.98Å; L141-I151 HydrophobicContact CD1-CG2 4.1Å; L141-I151 HydrophobicContact CD2-CD1 4.15Å; L141-I151 HydrophobicContact CG-CD1 3.8Å; L141-I151 HydrophobicContact CG-CG1 4.18Å; L141-I151 HydrophobicContact CG-CG2 4.01Å
142L89.6Confident88.9Confident4 Ų432.4 Ų32.42%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-110.9145.2172.4-58.6179.1000110.9G93 G94 L96 Y99 N147 V148G93-L142 WeakPolarHBondContact CA-O 3.45Å; G93-L142 PolarHBondContact N-O 3.29Å; G94-L142 PolarHBondContact O-N 3.17Å; L96-L142 HydrophobicContact CD1-CD2 4.38Å; Y99-L142 HydrophobicContact CD2-CD1 3.77Å; Y99-L142 HydrophobicContact CG-CD1 3.91Å; L142-N147 WeakPolarHBondContact CA-O 3.35Å; L142-V148 HydrophobicContact CD2-CG2 4.31Å
143D88Confident88.4Confident18 Ų1832.4 Ų32.410%0.09616%0.164CC..  trans-85.3-172.3166.966.723.3000112.1L91 D145 Q146 N147 R149L91-D143 HydrophobicContact CD2-CB 4.38Å; D143-D145 PolarHBondContact O-N 3.47Å; D143-D145 PolarHBondContact OD1-N 2.76Å; D143-Q146 PolarHBondContact O-N 3.47Å; D143-Q146 PolarHBondContact OD1-N 3.31Å; D143-N147 PolarHBondContact N-O 2.88Å; D143-N147 PolarHBondContact OD1-N 3.34Å; D143-N147 PolarHBondContact OD1-ND2 2.87Å; D143-N147 WeakPolarHBondContact OD2-CB 3.36Å; D143-N147 PolarHBondContact OD2-ND2 3.45Å; D143-R149 IonicContact OD2-CZ 2.88Å; D143-R149 IonicContact OD2-NH1 3.84Å; D143-R149 PolarHBondContact OD2-NH1 2.83Å; D143-R149 IonicContact OD2-NH2 3.77Å; D143-R149 PolarHBondContact OD2-NH2 2.86Å
144N84.3Confident87.2Confident129 Ų12931.4 Ų31.469%0.6916%0.164SC*.THydrogen-bonded Turntrans-62.3-30.6-179.7-73.9-48.6000113.1P92 Q146P92-N144 WeakPolarHBondContact CG-OD1 3.39Å; N144-Q146 VanDerWaalsContact C-N 3.32Å
145D84.7Confident85.9Confident131 Ų13131.8 Ų31.870%0.70117%0.166SC*.THydrogen-bonded Turntrans-96.412.4-176.8-63.2-51000112.1D143 N147D143-D145 PolarHBondContact O-N 3.47Å; D143-D145 PolarHBondContact OD1-N 2.76Å; D145-N147 WeakPolarHBondContact CB-ND2 3.2Å; D145-N147 PolarHBondContact O-N 2.97Å
146Q85.6Confident84.6Confident105 Ų10532.3 Ų32.349%0.49117%0.17SC..SBendtrans63.823.1-178.6-54-179.3-17.700114.2D143 N144D143-Q146 PolarHBondContact O-N 3.47Å; D143-Q146 PolarHBondContact OD1-N 3.31Å; N144-Q146 VanDerWaalsContact C-N 3.32Å
147N91.5Very high83.3Confident46 Ų4632.1 Ų32.125%0.24617%0.173CC..  trans-81.3149.7168.7-48.1-78.1000111Y70 Q117 L142 D143 D145Y70-N147 HydrophobicContact CD1-CB 4.5Å; Y70-N147 HydrophobicContact CE1-CB 4.25Å; Q117-N147 PolarHBondContact NE2-OD1 2.84Å; Q117-N147 VanDerWaalsContact OE1-CA 3.28Å; L142-N147 WeakPolarHBondContact CA-O 3.35Å; D143-N147 PolarHBondContact N-O 2.88Å; D143-N147 PolarHBondContact OD1-N 3.34Å; D143-N147 PolarHBondContact OD1-ND2 2.87Å; D143-N147 WeakPolarHBondContact OD2-CB 3.36Å; D143-N147 PolarHBondContact OD2-ND2 3.45Å; D145-N147 WeakPolarHBondContact CB-ND2 3.2Å; D145-N147 PolarHBondContact O-N 2.97Å
148V94.5Very high81.9Confident0 Ų037.2 Ų37.20%020%0.195CC..EExtended strand (participates in β ladder)trans-69.3142.1179.9161.30000112.3Y70 I114 Q117 I118 I140 L142 I150Y70-V148 WeakPolarHBondContact CA-O 3.33Å; Y70-V148 WeakPolarHBondContact CB-O 3.15Å; Y70-V148 WeakPolarHBondContact CD1-O 3.37Å; I114-V148 HydrophobicContact CG2-CG2 3.88Å; Q117-V148 HydrophobicContact CB-CB 3.9Å; Q117-V148 HydrophobicContact CB-CG2 4.23Å; I118-V148 HydrophobicContact CG1-CG1 3.94Å; I118-V148 HydrophobicContact CG1-CG2 3.96Å; I140-V148 HydrophobicContact CG2-CB 4.43Å; I140-V148 HydrophobicContact CG2-CG1 3.79Å; I140-V148 HydrophobicContact CG2-CG2 4.09Å; L142-V148 HydrophobicContact CD2-CG2 4.31Å; V148-I150 HydrophobicContact CG1-CD1 3.8Å; V148-I150 HydrophobicContact CG1-CG1 4.36Å
149R94.6Very high80.2Confident15 Ų1538.5 Ų38.56%0.05721%0.213CC..EExtended strand (participates in β ladder)trans-132.7116.9161.2-67-71.5-163.3-69.9-6.8109.5K69 Y70 E89 L91 L141 D143 E328K69-R149 PolarHBondContact O-NE 2.9Å; K69-R149 PolarHBondContact O-NH1 3.12Å; Y70-R149 CarbonylContact O-C 3.57Å; Y70-R149 WeakPolarHBondContact O-CA 3.35Å; E89-R149 IonicContact OE1-CZ 2.67Å; E89-R149 IonicContact OE1-NE 2.95Å; E89-R149 PolarHBondContact OE1-NE 3.38Å; E89-R149 IonicContact OE1-NH2 3.99Å; E89-R149 PolarHBondContact OE1-NH2 3.48Å; E89-R149 VanDerWaalsContact OE1-NH2 3.1Å; E89-R149 IonicContact OE2-NE 2.81Å; L91-R149 HydrophobicContact CD1-CB 3.47Å; L91-R149 VanDerWaalsContact CD1-CB 3.47Å; L91-R149 HydrophobicContact CD1-CG 3.79Å; L91-R149 HydrophobicContact CD2-CB 4.36Å; L91-R149 HydrophobicContact CD2-CG 3.72Å; L91-R149 HydrophobicContact CG-CG 4.42Å; L141-R149 PolarHBondContact N-O 3.35Å; L141-R149 PolarHBondContact O-N 3.33Å; D143-R149 IonicContact OD2-CZ 2.88Å; D143-R149 IonicContact OD2-NH1 3.84Å; D143-R149 PolarHBondContact OD2-NH1 2.83Å; D143-R149 IonicContact OD2-NH2 3.77Å; D143-R149 PolarHBondContact OD2-NH2 2.86Å; R149-E328 IonicContact NH2-OE2 3Å
150I95.2Very high77.8Confident0 Ų045.2 Ų45.20%024%0.243CC..EExtended strand (participates in β ladder)trans-72.9133.9172.2-52-56.1000109.1Y70 Y72 I118 A121 I122 L135 I140 V148 F153Y70-I150 PolarHBondContact O-N 3.26Å; Y72-I150 WeakPolarHBondContact CD1-O 3.2Å; Y72-I150 PolarHBondContact N-O 2.77Å; I118-I150 HydrophobicContact CG2-CD1 4.26Å; A121-I150 HydrophobicContact CB-CG1 3.56Å; I122-I150 HydrophobicContact CD1-CD1 4.33Å; I122-I150 HydrophobicContact CD1-CG1 4.12Å; I122-I150 HydrophobicContact CD1-CG2 4.32Å; L135-I150 HydrophobicContact CD2-CG2 4.41Å; I140-I150 HydrophobicContact CD1-CD1 4.09Å; I140-I150 HydrophobicContact CG1-CD1 3.79Å; I140-I150 HydrophobicContact CG2-CD1 4.26Å; V148-I150 HydrophobicContact CG1-CD1 3.8Å; V148-I150 HydrophobicContact CG1-CG1 4.36Å; I150-F153 HydrophobicContact CB-CZ 4.49Å; I150-F153 HydrophobicContact CG2-CE2 4.22Å; I150-F153 HydrophobicContact CG2-CZ 4.03Å
151I90.7Very high75.2Confident30 Ų3051 Ų5115%0.15427%0.274CS..  trans-129.9170.6-178.567.6154.1000112.5Y72 L91 H132 N139 L141Y72-I151 HydrophobicContact CD1-CB 4.25Å; Y72-I151 HydrophobicContact CD1-CG2 3.99Å; Y72-I151 HydrophobicContact CD2-CB 4.41Å; Y72-I151 HydrophobicContact CD2-CG2 3.85Å; Y72-I151 HydrophobicContact CE1-CB 4.14Å; Y72-I151 HydrophobicContact CE1-CG2 4.36Å; Y72-I151 HydrophobicContact CE2-CB 4.3Å; Y72-I151 HydrophobicContact CE2-CG2 4.23Å; Y72-I151 HydrophobicContact CG-CB 4.39Å; Y72-I151 HydrophobicContact CG-CG2 3.72Å; L91-I151 HydrophobicContact CD1-CG2 4.23Å; H132-I151 PolarHBondContact NE2-O 3.1Å; H132-I151 VanDerWaalsContact NE2-O 3.15Å; N139-I151 VanDerWaalsContact C-CG1 3.48Å; N139-I151 HydrophobicContact CB-CG1 4.4Å; N139-I151 WeakPolarHBondContact O-CG1 3.29Å; N139-I151 PolarHBondContact O-N 3.19Å; L141-I151 HydrophobicContact CB-CG2 4.48Å; L141-I151 HydrophobicContact CD1-CD1 3.98Å; L141-I151 HydrophobicContact CD1-CG2 4.1Å; L141-I151 HydrophobicContact CD2-CD1 4.15Å; L141-I151 HydrophobicContact CG-CD1 3.8Å; L141-I151 HydrophobicContact CG-CG1 4.18Å; L141-I151 HydrophobicContact CG-CG2 4.01Å
152D81.4Confident72.6Confident52 Ų5255.2 Ų55.228%0.27830%0.296SS..  trans6173.6174.5-159.26.3000115.9K42 Y72 G154K42-D152 IonicContact NZ-OD1 3.07Å; Y72-D152 PolarHBondContact OH-N 3.07Å; D152-G154 PolarHBondContact O-N 2.63Å; D152-G154 PolarHBondContact OD1-N 3.01Å
153F79.3Confident70.2Confident0 Ų057.6 Ų57.60%031%0.313CS..G310 helixtrans-83.320.3177.1-68.5-108.1000112.5E59 A62 L63 L66 I71 Y72 I125 H132 I150 L155 C156E59-F153 HydrophobicContact CG-CB 4.19Å; A62-F153 HydrophobicContact CB-CB 4.31Å; A62-F153 HydrophobicContact CB-CD1 4.35Å; L63-F153 HydrophobicContact CD2-CD2 3.91Å; L63-F153 HydrophobicContact CD2-CE2 4.08Å; L63-F153 HydrophobicContact CD2-CG 4.41Å; L63-F153 HydrophobicContact CG-CD2 4.39Å; L66-F153 HydrophobicContact CD1-CD1 3.82Å; L66-F153 HydrophobicContact CD1-CE1 3.48Å; L66-F153 VanDerWaalsContact CD1-CE1 3.48Å; L66-F153 HydrophobicContact CD1-CZ 4.34Å; I71-F153 HydrophobicContact CD1-CZ 4.27Å; I71-F153 HydrophobicContact CG1-CZ 4.36Å; I71-F153 HydrophobicContact CG2-CE2 3.83Å; I71-F153 HydrophobicContact CG2-CZ 3.61Å; Y72-F153 HydrophobicContact CD1-CE2 4.18Å; Y72-F153 AromaticContact CE1-CD2 3.78Å; Y72-F153 HydrophobicContact CE1-CD2 3.78Å; Y72-F153 AromaticContact CE1-CE2 3.85Å; Y72-F153 HydrophobicContact CE1-CE2 3.85Å; I125-F153 HydrophobicContact CD1-CE1 3.6Å; I125-F153 HydrophobicContact CD1-CZ 3.84Å; I125-F153 HydrophobicContact CG1-CE1 4.1Å; H132-F153 AromaticContact CD2-CE1 3.94Å; I150-F153 HydrophobicContact CB-CZ 4.49Å; I150-F153 HydrophobicContact CG2-CE2 4.22Å; I150-F153 HydrophobicContact CG2-CZ 4.03Å; F153-L155 PolarHBondContact O-N 2.87Å; F153-L155 VanDerWaalsContact O-N 3.13Å; F153-C156 HydrophobicContact CB-CB 3.73Å; F153-C156 HydrophobicContact CD1-CB 3.9Å; F153-C156 HydrophobicContact CG-CB 4.3Å; F153-C156 WeakPolarHBondContact O-CB 3.39Å; F153-C156 PolarHBondContact O-N 3.24Å
154G62.3Low67.7Low13 Ų1363.7 Ų63.713%0.13434%0.343CS..G310 helixtrans-62.3-18.2-178.300000115.4R55 D152R55-G154 WeakPolarHBondContact CB-O 3.38Å; R55-G154 WeakPolarHBondContact CG-O 3.23Å; D152-G154 PolarHBondContact O-N 2.63Å; D152-G154 PolarHBondContact OD1-N 3.01Å
155L59.6Low65.3Low40 Ų4060.5 Ų60.521%0.20933%0.325CS..G310 helixtrans-112.36172.9-66.2174.9000113.1D134 F153 L165D134-L155 HydrophobicContact CB-CB 4.4Å; D134-L155 HydrophobicContact CB-CD1 3.93Å; F153-L155 PolarHBondContact O-N 2.87Å; F153-L155 VanDerWaalsContact O-N 3.13Å; L155-L165 HydrophobicContact CD1-CD2 3.99Å; L155-L165 HydrophobicContact CD2-CD2 4.33Å
156C63.1Low62.8Low14 Ų1459.1 Ų59.110%0.09532%0.318CS..  trans-66.7133.8177.5-176.70000110.8A62 F130 A131 F153A62-C156 HydrophobicContact CB-CB 4.24Å; F130-C156 VanDerWaalsContact CD1-SG 3.53Å; A131-C156 WeakPolarHBondContact O-CA 3.38Å; F153-C156 HydrophobicContact CB-CB 3.73Å; F153-C156 HydrophobicContact CD1-CB 3.9Å; F153-C156 HydrophobicContact CG-CB 4.3Å; F153-C156 WeakPolarHBondContact O-CB 3.39Å; F153-C156 PolarHBondContact O-N 3.24Å
157A59.2Low60.3Low19 Ų1957.6 Ų57.616%0.15732%0.316CS..EExtended strand (participates in β ladder)trans-141.4141.5179.600000111.8F130 A131F130-A157 WeakPolarHBondContact CA-O 3.38Å; A131-A157 PolarHBondContact N-O 3.05Å; A131-A157 PolarHBondContact O-N 2.83Å
158K58.7Low57.4Low107 Ų10758.8 Ų58.847%0.46532%0.319SS..EExtended strand (participates in β ladder)trans-83123.9174.4-154.9169.7-170.6169.90109.5G129 F130 N161G129-K158 WeakPolarHBondContact O-CA 3.49Å; F130-K158 HydrophobicContact CD1-CB 3.94Å; F130-K158 HydrophobicContact CD1-CG 4.31Å; F130-K158 HydrophobicContact CE1-CB 3.77Å; F130-K158 HydrophobicContact CE1-CD 4.18Å; F130-K158 HydrophobicContact CE1-CG 4.11Å; F130-K158 HydrophobicContact CE2-CD 4.3Å; F130-K158 HydrophobicContact CZ-CB 4.35Å; F130-K158 HydrophobicContact CZ-CD 3.89Å; F130-K158 HydrophobicContact CZ-CG 4.22Å; K158-N161 PolarHBondContact O-ND2 3.18Å
159G46.8Very low54.5Low43 Ų4360.1 Ų60.144%0.44333%0.328SS..THydrogen-bonded Turntrans63.5-161.2-178.400000115.2G129 R133 N161G129-G159 PolarHBondContact O-N 2.69Å; R133-G159 PolarHBondContact NH2-O 2.86Å; G159-N161 PolarHBondContact O-N 2.99Å
160H39.3Very low52.3Low152 Ų15260 Ų6070%0.70433%0.332SS*.THydrogen-bonded Turntrans-69.87.4-174.2-70.1-79.1000115.5L162H160-L162 WeakPolarHBondContact O-CD2 3.4Å; H160-L162 WeakPolarHBondContact O-CG 3.33Å; H160-L162 PolarHBondContact O-N 3.4Å
161N39.2Very low50.7Low121 Ų12160.8 Ų60.865%0.64734%0.337SS*.  trans-57.8124.9-170.1-82.4-45.4000112.8R133 K158 G159R133-N161 PolarHBondContact NH1-O 2.92Å; R133-N161 PolarHBondContact NH2-O 2.93Å; K158-N161 PolarHBondContact O-ND2 3.18Å; G159-N161 PolarHBondContact O-N 2.99Å
162L38.1Very low49.9Very low121 Ų12162.2 Ų62.263%0.63434%0.342SS*.  trans-92118-166.4-58.5168.6000109.4H160 E184H160-L162 WeakPolarHBondContact O-CD2 3.4Å; H160-L162 WeakPolarHBondContact O-CG 3.33Å; H160-L162 PolarHBondContact O-N 3.4Å; L162-E184 HydrophobicContact CD2-CG 4.08Å
163S38.5Very low49.9Very low54 Ų5459.8 Ų59.838%0.37833%0.33SS..  trans-139.812616359.70000109.5
164M34.4Very low50.4Low145 Ų14560 Ų6071%0.71433%0.331SS*.  trans-65.2133.5-170.5-70.3-179.8-79.200112.5N166M164-N166 PolarHBondContact O-N 3.11Å
165L35.3Very low51.6Low63 Ų6360.8 Ų60.833%0.3333%0.333SS..  trans-81.853.6172-69.5167.8000111.9L155 T167 V179L155-L165 HydrophobicContact CD1-CD2 3.99Å; L155-L165 HydrophobicContact CD2-CD2 4.33Å; L165-T167 PolarHBondContact O-N 3.46Å; L165-V179 HydrophobicContact CD1-CG1 3.36Å
166N32Very low53.1Low101 Ų10158.9 Ų58.954%0.5432%0.323SS..  trans-78.92.6179.8-74.4-11.4000113.9M164 F168M164-N166 PolarHBondContact O-N 3.11Å; N166-F168 PolarHBondContact O-N 3.12Å
167T32.5Very low54.4Low74 Ų7459 Ų5945%0.45432%0.323SS..  trans-91.962.9-179-37.30000112.5L165 C169L165-T167 PolarHBondContact O-N 3.46Å; T167-C169 PolarHBondContact O-N 3.23Å; T167-C169 VanDerWaalsContact O-N 3.15Å
168F31.3Very low55.9Low71 Ų7159.1 Ų59.131%0.31132%0.321SS..  trans-34.8117.4163.1-127.1-77.4000111.2N166 F172 N662 W664 K666N166-F168 PolarHBondContact O-N 3.12Å; F168-F172 AromaticContact CD1-CE2 3.87Å; F168-F172 HydrophobicContact CD1-CE2 3.87Å; F168-F172 HydrophobicContact CD1-CZ 4.29Å; F168-F172 HydrophobicContact CD2-CZ 4.43Å; F168-F172 AromaticContact CE1-CE2 3.72Å; F168-F172 HydrophobicContact CE1-CE2 3.72Å; F168-F172 HydrophobicContact CE1-CZ 4.35Å; F168-F172 HydrophobicContact CG-CE2 4.35Å; F168-F172 HydrophobicContact CG-CZ 4.31Å; F168-F172 HydrophobicContact CZ-CE2 4.12Å; F168-F172 HydrophobicContact CZ-CZ 4.48Å; F168-N662 WeakPolarHBondContact CE1-ND2 3.17Å; F168-W664 HydrophobicContact CZ-CE3 4.29Å; F168-W664 HydrophobicContact CZ-CZ3 4.11Å; F168-K666 HydrophobicContact CB-CD 3.71Å; F168-K666 HydrophobicContact CG-CD 4.43Å; F168-K666 WeakPolarHBondContact O-CE 3.41Å; F168-K666 PolarHBondContact O-NZ 2.85Å; F168-K666 VanDerWaalsContact O-NZ 3.11Å
169C34.1Very low57.2Low27 Ų2754.6 Ų54.618%0.18230%0.302CS..SBendtrans170.688.9165.9-93.90000110.1T167 T667 R750T167-C169 PolarHBondContact O-N 3.23Å; T167-C169 VanDerWaalsContact O-N 3.15Å; C169-T667 PolarHBondContact SG-O 3.11Å; C169-R750 VanDerWaalsContact CB-NH2 3.33Å; C169-R750 PolarHBondContact SG-NH2 3.46Å; C169-R750 VanDerWaalsContact SG-NH2 3.39Å
170G47.2Very low58.9Low14 Ų1454.4 Ų54.414%0.14429%0.291CS..SBendtrans58.993.6162.800000118.1
171S60.7Low60.9Low16 Ų1649.6 Ų49.611%0.11228%0.277CS..  trans1739.5153.3-73.30000112.3K136 A173 Y174K136-S171 WeakPolarHBondContact CD-OG 2.98Å; K136-S171 PolarHBondContact NZ-OG 3.03Å; S171-A173 PolarHBondContact O-N 3.4Å; S171-Y174 PolarHBondContact O-N 3.48Å
172F74.2Confident62.6Low59 Ų5949.2 Ų49.226%0.25928%0.275SS..G310 helixtrans-53.4-26.9-172.6-75.5-49.2000115F168 Y174 V175 L180 L217 I221F168-F172 AromaticContact CD1-CE2 3.87Å; F168-F172 HydrophobicContact CD1-CE2 3.87Å; F168-F172 HydrophobicContact CD1-CZ 4.29Å; F168-F172 HydrophobicContact CD2-CZ 4.43Å; F168-F172 AromaticContact CE1-CE2 3.72Å; F168-F172 HydrophobicContact CE1-CE2 3.72Å; F168-F172 HydrophobicContact CE1-CZ 4.35Å; F168-F172 HydrophobicContact CG-CE2 4.35Å; F168-F172 HydrophobicContact CG-CZ 4.31Å; F168-F172 HydrophobicContact CZ-CE2 4.12Å; F168-F172 HydrophobicContact CZ-CZ 4.48Å; F172-Y174 PolarHBondContact O-N 3.39Å; F172-V175 PolarHBondContact O-N 2.73Å; F172-L180 HydrophobicContact CD1-CD2 3.42Å; F172-L180 VanDerWaalsContact CD1-CD2 3.42Å; F172-L180 HydrophobicContact CE1-CD2 3.82Å; F172-L180 HydrophobicContact CG-CD2 4.29Å; F172-L217 HydrophobicContact CB-CD2 3.83Å; F172-I221 WeakPolarHBondContact O-CD1 3.47Å
173A82.8Confident64.1Low2 Ų250.7 Ų50.72%0.01728%0.277CS..G310 helixtrans-59-27.6177.200000113.9S171 V197 L207S171-A173 PolarHBondContact O-N 3.4Å; A173-V197 WeakPolarHBondContact O-CG2 3.14Å; A173-L207 HydrophobicContact CB-CD1 3.74Å; A173-L207 HydrophobicContact CB-CD2 4.47Å
174Y88.2Confident66Low3 Ų355.7 Ų55.71%0.01229%0.294CS..G310 helixtrans-92-8.9176.5-54.9-82.7000113.5L135 K136 P137 S171 F172 S194 V197 I198 L207 D752 F754L135-Y174 WeakPolarHBondContact O-CB 3.23Å; K136-Y174 HydrophobicContact CB-CD1 4.34Å; K136-Y174 HydrophobicContact CB-CD2 3.76Å; K136-Y174 HydrophobicContact CB-CE1 4.47Å; K136-Y174 HydrophobicContact CB-CE2 3.87Å; K136-Y174 HydrophobicContact CB-CG 4Å; P137-Y174 WeakPolarHBondContact CD-OH 3.47Å; P137-Y174 HydrophobicContact CG-CE1 4.02Å; S171-Y174 PolarHBondContact O-N 3.48Å; F172-Y174 PolarHBondContact O-N 3.39Å; Y174-S194 WeakPolarHBondContact O-CA 3.34Å; Y174-S194 WeakPolarHBondContact O-CB 3.42Å; Y174-S194 PolarHBondContact O-OG 3.13Å; Y174-V197 HydrophobicContact CD1-CB 3.81Å; Y174-V197 HydrophobicContact CD1-CG1 3.31Å; Y174-V197 HydrophobicContact CE1-CB 4.4Å; Y174-V197 HydrophobicContact CE1-CG1 3.6Å; Y174-V197 HydrophobicContact CG-CG1 4.1Å; Y174-I198 HydrophobicContact CD1-CG1 4.18Å; Y174-I198 HydrophobicContact CE1-CG1 4.21Å; Y174-L207 HydrophobicContact CE1-CD2 3.77Å; Y174-L207 HydrophobicContact CE2-CD2 4.47Å; Y174-D752 WeakPolarHBondContact CE2-OD1 3.27Å; Y174-F754 VanDerWaalsContact OH-CD2 3.24Å; Y174-F754 WeakPolarHBondContact OH-CD2 3.29Å; Y174-F754 WeakPolarHBondContact OH-CE2 3.22Å
175V87.9Confident68.3Low30 Ų3051 Ų5118%0.18227%0.269CS..SBendtrans-87.3133.1-171.2175.50000110.2F172 V179 L180 W193F172-V175 PolarHBondContact O-N 2.73Å; V175-V179 HydrophobicContact CG1-CB 3.68Å; V175-V179 HydrophobicContact CG1-CG1 3.64Å; V175-L180 HydrophobicContact CB-CD2 4.05Å; V175-L180 HydrophobicContact CG1-CD2 3.59Å; V175-L180 HydrophobicContact CG1-CG 3.97Å; V175-W193 PolarHBondContact O-NE1 3.42Å
176A90.8Very high70.7Confident1 Ų150.7 Ų50.71%0.00827%0.272CS..  trans-68.4147.2-177.900000112.4E178 V179 L180 A190 W193A176-E178 VanDerWaalsContact C-N 3.27Å; A176-E178 WeakPolarHBondContact CB-OE1 3.31Å; A176-E178 WeakPolarHBondContact CB-OE2 3.3Å; A176-E178 PolarHBondContact O-N 3.34Å; A176-V179 HydrophobicContact CB-CG2 4.11Å; A176-V179 WeakPolarHBondContact O-CA 3.47Å; A176-V179 WeakPolarHBondContact O-CB 3.07Å; A176-V179 PolarHBondContact O-N 3.12Å; A176-L180 PolarHBondContact O-N 3.42Å; A176-L180 VanDerWaalsContact O-N 3.13Å; A176-A190 HydrophobicContact CB-CB 4.05Å; A176-W193 VanDerWaalsContact CA-CD1 3.48Å; A176-W193 HydrophobicContact CB-CB 3.73Å; A176-W193 HydrophobicContact CB-CD2 4.26Å; A176-W193 HydrophobicContact CB-CG 3.69Å
177P91.9Very high73.3Confident15 Ų1546.3 Ų46.310%0.09725%0.25CC..Hα-helixtrans-59.9-34-175.221.5-32.4000113.3V179 L180 A181 W193 I221 V246P177-V179 VanDerWaalsContact C-N 3.27Å; P177-V179 PolarHBondContact O-N 3.13Å; P177-L180 PolarHBondContact O-N 3.45Å; P177-A181 PolarHBondContact O-N 2.98Å; P177-W193 HydrophobicContact CG-CE3 4.28Å; P177-W193 HydrophobicContact CG-CH2 4.04Å; P177-W193 HydrophobicContact CG-CZ3 3.92Å; P177-I221 HydrophobicContact CB-CG2 4Å; P177-V246 HydrophobicContact CB-CG1 4.39Å; P177-V246 HydrophobicContact CG-CB 4.44Å; P177-V246 HydrophobicContact CG-CG1 4.01Å
178E90Very high76.1Confident22 Ų2244.8 Ų44.810%0.10324%0.242CC..Hα-helixtrans-68.3-26.417669.9-82.5-166.500113.4A176 P248 R251A176-E178 VanDerWaalsContact C-N 3.27Å; A176-E178 WeakPolarHBondContact CB-OE1 3.31Å; A176-E178 WeakPolarHBondContact CB-OE2 3.3Å; A176-E178 PolarHBondContact O-N 3.34Å; E178-P248 HydrophobicContact CG-CG 4.32Å; E178-R251 IonicContact OE1-CZ 3.8Å; E178-R251 IonicContact OE1-NH1 3.59Å; E178-R251 PolarHBondContact OE1-NH1 3.2Å; E178-R251 IonicContact OE1-NH2 2.63Å; E178-R251 PolarHBondContact OE1-NH2 3.01Å; E178-R251 IonicContact OE2-CZ 2.69Å; E178-R251 IonicContact OE2-NH1 2.73Å; E178-R251 IonicContact OE2-NH2 3.9Å; E178-R251 PolarHBondContact OE2-NH2 3.35Å
179V85.9Confident79.1Confident12 Ų1242.1 Ų42.17%0.07323%0.234CC..Hα-helixtrans-76.2-43174.8-177.90000109.9L165 V175 A176 P177 A181 N182 Y185 A190L165-V179 HydrophobicContact CD1-CG1 3.36Å; V175-V179 HydrophobicContact CG1-CB 3.68Å; V175-V179 HydrophobicContact CG1-CG1 3.64Å; A176-V179 HydrophobicContact CB-CG2 4.11Å; A176-V179 WeakPolarHBondContact O-CA 3.47Å; A176-V179 WeakPolarHBondContact O-CB 3.07Å; A176-V179 PolarHBondContact O-N 3.12Å; P177-V179 VanDerWaalsContact C-N 3.27Å; P177-V179 PolarHBondContact O-N 3.13Å; V179-A181 PolarHBondContact O-N 2.91Å; V179-N182 PolarHBondContact O-N 3.3Å; V179-Y185 HydrophobicContact CG1-CE1 4.28Å; V179-Y185 HydrophobicContact CG2-CD1 4.01Å; V179-Y185 HydrophobicContact CG2-CD2 3.65Å; V179-Y185 HydrophobicContact CG2-CE1 4.06Å; V179-Y185 HydrophobicContact CG2-CE2 3.7Å; V179-Y185 HydrophobicContact CG2-CG 3.82Å; V179-A190 HydrophobicContact CG2-CB 3.78Å
180L82.5Confident81.9Confident40 Ų4041.1 Ų41.121%0.20923%0.227CC..Hα-helixtrans-60.2-30.5172.8-60.5-178.1000112.5F172 V175 A176 P177 N182 P218 I221F172-L180 HydrophobicContact CD1-CD2 3.42Å; F172-L180 VanDerWaalsContact CD1-CD2 3.42Å; F172-L180 HydrophobicContact CE1-CD2 3.82Å; F172-L180 HydrophobicContact CG-CD2 4.29Å; V175-L180 HydrophobicContact CB-CD2 4.05Å; V175-L180 HydrophobicContact CG1-CD2 3.59Å; V175-L180 HydrophobicContact CG1-CG 3.97Å; A176-L180 PolarHBondContact O-N 3.42Å; A176-L180 VanDerWaalsContact O-N 3.13Å; P177-L180 PolarHBondContact O-N 3.45Å; L180-N182 PolarHBondContact O-N 3.13Å; L180-P218 HydrophobicContact CD1-CB 4.23Å; L180-I221 HydrophobicContact CD1-CB 3.94Å; L180-I221 HydrophobicContact CD1-CD1 3.92Å; L180-I221 HydrophobicContact CD1-CG2 3.55Å
181A81.5Confident84.1Confident50 Ų5040.5 Ų40.541%0.41322%0.221SC..THydrogen-bonded Turntrans-71.8-3.5176.700000114.2P177 V179 K183P177-A181 PolarHBondContact O-N 2.98Å; V179-A181 PolarHBondContact O-N 2.91Å; A181-K183 HydrophobicContact CB-CD 4.24Å; A181-K183 HydrophobicContact CB-CG 4.21Å; A181-K183 PolarHBondContact O-N 2.96Å
182N73.8Confident85.9Confident113 Ų11339.9 Ų39.960%0.60422%0.216SC*.THydrogen-bonded Turntrans51.636.2-176-77.4-32.3000113.7V179 L180V179-N182 PolarHBondContact O-N 3.3Å; L180-N182 PolarHBondContact O-N 3.13Å
183K71.5Confident87Confident153 Ų15337.1 Ų37.167%0.66520%0.204SC*.SBendtrans-100.8168175-66.8179.4-176.4177.90110.5A181 Y185A181-K183 HydrophobicContact CB-CD 4.24Å; A181-K183 HydrophobicContact CB-CG 4.21Å; A181-K183 PolarHBondContact O-N 2.96Å; K183-Y185 WeakPolarHBondContact O-CD1 3.38Å
184E77.1Confident87.6Confident159 Ų15937.3 Ų37.374%0.74321%0.205SC*.  trans-62135.1165.6-58.6-174.1147.500109.8L162L162-E184 HydrophobicContact CD2-CG 4.08Å
185Y82.1Confident88Confident47 Ų4737.2 Ų37.218%0.18421%0.205CC..  trans-139.8160.6-17666.6-86000111.7V179 K183 A190V179-Y185 HydrophobicContact CG1-CE1 4.28Å; V179-Y185 HydrophobicContact CG2-CD1 4.01Å; V179-Y185 HydrophobicContact CG2-CD2 3.65Å; V179-Y185 HydrophobicContact CG2-CE1 4.06Å; V179-Y185 HydrophobicContact CG2-CE2 3.7Å; V179-Y185 HydrophobicContact CG2-CG 3.82Å; K183-Y185 WeakPolarHBondContact O-CD1 3.38Å; Y185-A190 HydrophobicContact CD2-CB 3.8Å; Y185-A190 HydrophobicContact CE2-CB 3.91Å
186S86.1Confident88.5Confident56 Ų5635.8 Ų35.839%0.39220%0.196SC..  trans-82.5114.1167.91720000108.9S188 A189 A190S186-S188 PolarHBondContact O-N 2.98Å; S186-A189 PolarHBondContact O-N 2.7Å; S186-A189 PolarHBondContact OG-N 3.08Å; S186-A190 PolarHBondContact O-N 3.14Å
187G86.5Confident88.7Confident8 Ų835.7 Ų35.78%0.08220%0.196CC..Hα-helixtrans-54.9-41.8177.800000112.4A131 A189 A190 D191A131-G187 VanDerWaalsContact CB-C 3.43Å; G187-A189 PolarHBondContact O-N 3.05Å; G187-A190 PolarHBondContact O-N 3.15Å; G187-D191 PolarHBondContact O-N 2.94Å
188S91.5Very high88.9Confident42 Ų4235 Ų3529%0.29419%0.191SC..Hα-helixtrans-64.1-37.2176.4-54.90000113H126 S186 I192H126-S188 VanDerWaalsContact CE1-CA 3.41Å; H126-S188 WeakPolarHBondContact CE1-CA 3.42Å; H126-S188 PolarHBondContact CE1-O 3.23Å; H126-S188 WeakPolarHBondContact ND1-CB 3.21Å; S186-S188 PolarHBondContact O-N 2.98Å; S188-I192 WeakPolarHBondContact O-CG1 3.35Å; S188-I192 PolarHBondContact O-N 3Å
189A94.1Very high89.3Confident16 Ų1634 Ų3413%0.13219%0.186CC..Hα-helixtrans-68.7-39.5175.400000111.6S186 G187 I192 W193 P248 R251S186-A189 PolarHBondContact O-N 2.7Å; S186-A189 PolarHBondContact OG-N 3.08Å; G187-A189 PolarHBondContact O-N 3.05Å; A189-I192 PolarHBondContact O-N 3.2Å; A189-W193 PolarHBondContact O-N 3.32Å; A189-P248 HydrophobicContact CB-CB 4.12Å; A189-R251 VanDerWaalsContact C-NH1 3.25Å; A189-R251 WeakPolarHBondContact O-CD 3.45Å; A189-R251 PolarHBondContact O-NH1 3.28Å
190A92.8Very high89.8Confident6 Ų633.4 Ų33.45%0.0518%0.183CC..Hα-helixtrans-62.8-42.4175.900000111.6A176 V179 Y185 S186 G187 I192 W193 S194A176-A190 HydrophobicContact CB-CB 4.05Å; V179-A190 HydrophobicContact CG2-CB 3.78Å; Y185-A190 HydrophobicContact CD2-CB 3.8Å; Y185-A190 HydrophobicContact CE2-CB 3.91Å; S186-A190 PolarHBondContact O-N 3.14Å; G187-A190 PolarHBondContact O-N 3.15Å; A190-I192 VanDerWaalsContact C-N 3.32Å; A190-I192 PolarHBondContact O-N 3.36Å; A190-W193 WeakPolarHBondContact O-CB 3.14Å; A190-W193 PolarHBondContact O-N 3.34Å; A190-W193 VanDerWaalsContact O-N 3.1Å; A190-S194 PolarHBondContact O-N 3.45Å; A190-S194 VanDerWaalsContact O-N 3.14Å; A190-S194 PolarHBondContact O-OG 3.21Å
191D94.9Very high90.4Very high1 Ų131.5 Ų31.51%0.00517%0.173CC..Hα-helixtrans-57.8-41.6173.8-73.7-17.2000111.8I122 H126 A131 H132 R133 L135 G187 W193 S194 L195I122-D191 HydrophobicContact CG2-CB 4.16Å; H126-D191 IonicContact CD2-OD2 2.92Å; H126-D191 IonicContact CE1-OD2 2.76Å; H126-D191 IonicContact NE2-OD2 3.26Å; H126-D191 PolarHBondContact NE2-OD2 3.32Å; A131-D191 WeakPolarHBondContact CA-OD2 3.44Å; H132-D191 PolarHBondContact N-OD2 2.85Å; R133-D191 WeakPolarHBondContact CA-OD1 3.4Å; R133-D191 PolarHBondContact N-OD1 3.18Å; L135-D191 HydrophobicContact CD1-CB 3.73Å; G187-D191 PolarHBondContact O-N 2.94Å; D191-W193 VanDerWaalsContact C-N 3.3Å; D191-W193 PolarHBondContact O-N 2.97Å; D191-S194 PolarHBondContact O-N 3.29Å; D191-L195 WeakPolarHBondContact O-CG 3.48Å; D191-L195 PolarHBondContact O-N 3.45Å
192I97.5Very high91Very high3 Ų329.1 Ų29.12%0.01515%0.153CC..Hα-helixtrans-60.7-37176.1-62.5-76000112S188 A189 A190 L195 G196 M243 R251 I252 M254 L257S188-I192 WeakPolarHBondContact O-CG1 3.35Å; S188-I192 PolarHBondContact O-N 3Å; A189-I192 PolarHBondContact O-N 3.2Å; A190-I192 VanDerWaalsContact C-N 3.32Å; A190-I192 PolarHBondContact O-N 3.36Å; I192-L195 HydrophobicContact CD1-CD1 4.46Å; I192-L195 PolarHBondContact O-N 2.77Å; I192-G196 PolarHBondContact O-N 2.99Å; I192-M243 HydrophobicContact CG2-CB 4.17Å; I192-M243 HydrophobicContact CG2-CG 4.1Å; I192-R251 HydrophobicContact CG2-CG 3.91Å; I192-I252 HydrophobicContact CG2-CG2 3.87Å; I192-M254 HydrophobicContact CD1-CB 4.38Å; I192-M254 HydrophobicContact CD1-CE 3.85Å; I192-M254 HydrophobicContact CD1-SD 4.46Å; I192-L257 HydrophobicContact CD1-CD2 3.48Å; I192-L257 VanDerWaalsContact CD1-CD2 3.48Å
193W97Very high92.1Very high0 Ų024.1 Ų24.10%013%0.126CC..Hα-helixtrans-64.5-46.1174.8172-77.6000111V175 A176 P177 A189 A190 D191 L195 G196 V197 F209 I221 I244 V246V175-W193 PolarHBondContact O-NE1 3.42Å; A176-W193 VanDerWaalsContact CA-CD1 3.48Å; A176-W193 HydrophobicContact CB-CB 3.73Å; A176-W193 HydrophobicContact CB-CD2 4.26Å; A176-W193 HydrophobicContact CB-CG 3.69Å; P177-W193 HydrophobicContact CG-CE3 4.28Å; P177-W193 HydrophobicContact CG-CH2 4.04Å; P177-W193 HydrophobicContact CG-CZ3 3.92Å; A189-W193 PolarHBondContact O-N 3.32Å; A190-W193 WeakPolarHBondContact O-CB 3.14Å; A190-W193 PolarHBondContact O-N 3.34Å; A190-W193 VanDerWaalsContact O-N 3.1Å; D191-W193 VanDerWaalsContact C-N 3.3Å; D191-W193 PolarHBondContact O-N 2.97Å; W193-L195 VanDerWaalsContact C-N 3.3Å; W193-L195 PolarHBondContact O-N 2.94Å; W193-G196 VanDerWaalsContact O-CA 3.26Å; W193-G196 WeakPolarHBondContact O-CA 3.44Å; W193-G196 PolarHBondContact O-N 3.33Å; W193-V197 PolarHBondContact O-N 3.15Å; W193-F209 HydrophobicContact CH2-CE2 4.14Å; W193-F209 AromaticContact CH2-CZ 3.91Å; W193-F209 HydrophobicContact CH2-CZ 3.91Å; W193-F209 HydrophobicContact CZ2-CD2 4.49Å; W193-F209 AromaticContact CZ2-CE2 3.43Å; W193-F209 HydrophobicContact CZ2-CE2 3.43Å; W193-F209 VanDerWaalsContact CZ2-CE2 3.43Å; W193-F209 AromaticContact CZ2-CZ 3.68Å; W193-F209 HydrophobicContact CZ2-CZ 3.68Å; W193-I221 HydrophobicContact CH2-CG2 4.37Å; W193-I221 HydrophobicContact CZ2-CG2 3.77Å; W193-I244 HydrophobicContact CD2-CG2 4.38Å; W193-I244 HydrophobicContact CE3-CG2 4.1Å; W193-I244 HydrophobicContact CH2-CG2 3.6Å; W193-I244 HydrophobicContact CZ2-CG2 3.88Å; W193-I244 HydrophobicContact CZ3-CB 4.5Å; W193-I244 HydrophobicContact CZ3-CG2 3.71Å; W193-V246 HydrophobicContact CH2-CG2 4.48Å; W193-V246 HydrophobicContact CZ3-CG2 4.33Å
194S95.4Very high93.2Very high7 Ų717.9 Ų17.95%0.04910%0.102CC..Hα-helixtrans-60.9-38.6176.7-53.40000111.9Y174 A190 D191 G196 V197 I198Y174-S194 WeakPolarHBondContact O-CA 3.34Å; Y174-S194 WeakPolarHBondContact O-CB 3.42Å; Y174-S194 PolarHBondContact O-OG 3.13Å; A190-S194 PolarHBondContact O-N 3.45Å; A190-S194 VanDerWaalsContact O-N 3.14Å; A190-S194 PolarHBondContact O-OG 3.21Å; D191-S194 PolarHBondContact O-N 3.29Å; S194-G196 VanDerWaalsContact C-N 3.29Å; S194-G196 PolarHBondContact O-N 2.93Å; S194-V197 PolarHBondContact O-N 3Å; S194-I198 VanDerWaalsContact O-CG1 3.3Å; S194-I198 WeakPolarHBondContact O-CG1 3.4Å; S194-I198 PolarHBondContact O-N 3.45Å
195L97.8Very high93.7Very high0 Ų011.2 Ų11.20%08%0.076CC..Hα-helixtrans-61-35.8169.5-67.6-179.8000112.6F115 I118 I122 L135 D191 I192 W193 I198 L199 M254 L257F115-L195 HydrophobicContact CE2-CB 4.09Å; F115-L195 HydrophobicContact CE2-CD2 4.36Å; F115-L195 WeakPolarHBondContact CE2-O 3.39Å; F115-L195 HydrophobicContact CZ-CB 4.12Å; I118-L195 HydrophobicContact CG2-CD2 3.29Å; I122-L195 HydrophobicContact CB-CD1 4.31Å; I122-L195 HydrophobicContact CG1-CD1 4.37Å; I122-L195 HydrophobicContact CG1-CD2 4.19Å; I122-L195 HydrophobicContact CG2-CD1 4.25Å; L135-L195 HydrophobicContact CD1-CD2 4.14Å; L135-L195 HydrophobicContact CD1-CG 4.2Å; D191-L195 WeakPolarHBondContact O-CG 3.48Å; D191-L195 PolarHBondContact O-N 3.45Å; I192-L195 HydrophobicContact CD1-CD1 4.46Å; I192-L195 PolarHBondContact O-N 2.77Å; W193-L195 VanDerWaalsContact C-N 3.3Å; W193-L195 PolarHBondContact O-N 2.94Å; L195-I198 HydrophobicContact CD2-CD1 4.46Å; L195-I198 PolarHBondContact O-N 3.16Å; L195-L199 WeakPolarHBondContact O-CB 3.39Å; L195-L199 PolarHBondContact O-N 3.47Å; L195-M254 HydrophobicContact CD1-CE 4.36Å; L195-L257 HydrophobicContact CD1-CD2 4.24Å
196G97.9Very high93.9Very high0 Ų014.5 Ų14.50%09%0.088CC..Hα-helixtrans-54.7-51169.300000112.6I192 W193 S194 L199 Y200I192-G196 PolarHBondContact O-N 2.99Å; W193-G196 VanDerWaalsContact O-CA 3.26Å; W193-G196 WeakPolarHBondContact O-CA 3.44Å; W193-G196 PolarHBondContact O-N 3.33Å; S194-G196 VanDerWaalsContact C-N 3.29Å; S194-G196 PolarHBondContact O-N 2.93Å; G196-L199 PolarHBondContact O-N 3.02Å; G196-Y200 WeakPolarHBondContact O-CB 3.37Å; G196-Y200 PolarHBondContact O-N 3.25Å
197V95.7Very high94.1Very high0 Ų012.3 Ų12.30%07%0.072CC..Hα-helixtrans-66.7-39.3179.9-178.40000111.5A173 Y174 W193 S194 Y200 A201 L207 P208 F209A173-V197 WeakPolarHBondContact O-CG2 3.14Å; Y174-V197 HydrophobicContact CD1-CB 3.81Å; Y174-V197 HydrophobicContact CD1-CG1 3.31Å; Y174-V197 HydrophobicContact CE1-CB 4.4Å; Y174-V197 HydrophobicContact CE1-CG1 3.6Å; Y174-V197 HydrophobicContact CG-CG1 4.1Å; W193-V197 PolarHBondContact O-N 3.15Å; S194-V197 PolarHBondContact O-N 3Å; V197-Y200 PolarHBondContact O-N 2.8Å; V197-A201 WeakPolarHBondContact O-CB 3.42Å; V197-A201 PolarHBondContact O-N 3.07Å; V197-L207 HydrophobicContact CG1-CD2 3.61Å; V197-P208 HydrophobicContact CB-CG 4.38Å; V197-P208 HydrophobicContact CG1-CG 4.03Å; V197-P208 HydrophobicContact CG2-CG 4.12Å; V197-F209 HydrophobicContact CG2-CE2 4.46Å
198I95.9Very high94.3Very high0 Ų012.6 Ų12.60%07%0.072CC..Hα-helixtrans-66-45.6175.8-67.3161.1000111.4I118 L135 P137 I140 Y174 S194 L195 Y200 A201 L202I118-I198 HydrophobicContact CD1-CG2 4.14Å; L135-I198 HydrophobicContact CB-CD1 4.15Å; P137-I198 HydrophobicContact CG-CG1 4.23Å; I140-I198 HydrophobicContact CD1-CD1 4.02Å; Y174-I198 HydrophobicContact CD1-CG1 4.18Å; Y174-I198 HydrophobicContact CE1-CG1 4.21Å; S194-I198 VanDerWaalsContact O-CG1 3.3Å; S194-I198 WeakPolarHBondContact O-CG1 3.4Å; S194-I198 PolarHBondContact O-N 3.45Å; L195-I198 HydrophobicContact CD2-CD1 4.46Å; L195-I198 PolarHBondContact O-N 3.16Å; I198-Y200 VanDerWaalsContact C-N 3.3Å; I198-Y200 PolarHBondContact O-N 2.89Å; I198-A201 WeakPolarHBondContact O-CB 3.26Å; I198-A201 PolarHBondContact O-N 2.83Å; I198-A201 VanDerWaalsContact O-N 3.16Å; I198-L202 HydrophobicContact CG2-CD1 4.15Å; I198-L202 WeakPolarHBondContact O-CG 3.49Å; I198-L202 PolarHBondContact O-N 3.4Å
199L98Very high94.2Very high0 Ų010.7 Ų10.70%06%0.059CC..Hα-helixtrans-61.1-42.1176.2-18060000111.2F115 L195 G196 A201 L202 L203 L239 L240 M243 W262F115-L199 HydrophobicContact CB-CD1 4.33Å; F115-L199 HydrophobicContact CD1-CD1 4.32Å; F115-L199 HydrophobicContact CD2-CB 4.01Å; F115-L199 HydrophobicContact CD2-CD1 4.1Å; F115-L199 HydrophobicContact CE1-CD2 4.23Å; F115-L199 HydrophobicContact CE2-CB 3.74Å; F115-L199 HydrophobicContact CG-CD1 3.99Å; F115-L199 HydrophobicContact CZ-CB 4.13Å; F115-L199 HydrophobicContact CZ-CD2 4.32Å; L195-L199 WeakPolarHBondContact O-CB 3.39Å; L195-L199 PolarHBondContact O-N 3.47Å; G196-L199 PolarHBondContact O-N 3.02Å; L199-A201 VanDerWaalsContact C-N 3.32Å; L199-A201 PolarHBondContact O-N 2.98Å; L199-L202 PolarHBondContact O-N 3.25Å; L199-L203 HydrophobicContact CD1-CD1 3.87Å; L199-L203 HydrophobicContact CD1-CG 4.01Å; L199-L203 HydrophobicContact CD2-CD1 4.49Å; L199-L203 HydrophobicContact CG-CD1 3.89Å; L199-L203 HydrophobicContact CG-CG 4.39Å; L199-L203 WeakPolarHBondContact O-CB 3.44Å; L199-L203 WeakPolarHBondContact O-CG 3.49Å; L199-L203 PolarHBondContact O-N 3.19Å; L199-L239 HydrophobicContact CD2-CD2 3.62Å; L199-L239 HydrophobicContact CD2-CG 3.94Å; L199-L240 HydrophobicContact CB-CD2 4.18Å; L199-L240 HydrophobicContact CD2-CD2 4.04Å; L199-L240 HydrophobicContact CD2-CG 4.5Å; L199-L240 HydrophobicContact CG-CD2 3.99Å; L199-M243 HydrophobicContact CB-CE 3.85Å; L199-M243 HydrophobicContact CD2-CE 3.55Å; L199-M243 HydrophobicContact CG-CE 4.34Å; L199-W262 HydrophobicContact CD1-CH2 3.53Å; L199-W262 HydrophobicContact CD1-CZ2 4.34Å; L199-W262 HydrophobicContact CD1-CZ3 3.77Å; L199-W262 HydrophobicContact CD2-CZ3 4.34Å
200Y96.9Very high93.3Very high0 Ų014.3 Ų14.30%08%0.076CC..Hα-helixtrans-59.9-43.6175-170.8-81.2000111.5G196 V197 I198 L203 C204 R206 L207 P208 F226 A227 L240G196-Y200 WeakPolarHBondContact O-CB 3.37Å; G196-Y200 PolarHBondContact O-N 3.25Å; V197-Y200 PolarHBondContact O-N 2.8Å; I198-Y200 VanDerWaalsContact C-N 3.3Å; I198-Y200 PolarHBondContact O-N 2.89Å; Y200-L203 PolarHBondContact O-N 3.18Å; Y200-C204 HydrophobicContact CD1-CB 4.02Å; Y200-C204 HydrophobicContact CE1-CB 3.72Å; Y200-C204 WeakPolarHBondContact O-CB 3.34Å; Y200-C204 PolarHBondContact O-N 2.95Å; Y200-C204 PolarHBondContact O-SG 3.16Å; Y200-C204 VanDerWaalsContact O-SG 3.41Å; Y200-R206 WeakPolarHBondContact CD1-O 3.15Å; Y200-R206 HydrophobicContact CE1-CG 4.3Å; Y200-R206 WeakPolarHBondContact CE1-O 3.47Å; Y200-R206 PolarHBondContact OH-NH1 3.26Å; Y200-R206 PolarHBondContact OH-NH2 3.3Å; Y200-L207 VanDerWaalsContact CE1-C 3.43Å; Y200-L207 WeakPolarHBondContact CE1-O 3.36Å; Y200-P208 HydrophobicContact CD1-CB 3.78Å; Y200-P208 VanDerWaalsContact CD1-CD 3.48Å; Y200-P208 HydrophobicContact CD1-CG 4.09Å; Y200-P208 VanDerWaalsContact CD1-N 3.32Å; Y200-P208 HydrophobicContact CD2-CB 3.96Å; Y200-P208 VanDerWaalsContact CE1-CA 3.45Å; Y200-P208 HydrophobicContact CE1-CB 3.93Å; Y200-P208 HydrophobicContact CE2-CB 4.1Å; Y200-P208 HydrophobicContact CG-CB 3.79Å; Y200-P208 HydrophobicContact CG-CG 4.11Å; Y200-F226 AromaticContact CD2-CD2 3.95Å; Y200-F226 HydrophobicContact CD2-CD2 3.95Å; Y200-F226 HydrophobicContact CD2-CE2 4.17Å; Y200-F226 AromaticContact CE2-CD2 3.72Å; Y200-F226 HydrophobicContact CE2-CD2 3.72Å; Y200-F226 HydrophobicContact CE2-CE2 4.27Å; Y200-A227 WeakPolarHBondContact CE2-O 3.49Å; Y200-A227 PolarHBondContact OH-O 3.37Å; Y200-L240 HydrophobicContact CD2-CD1 4.15Å; Y200-L240 HydrophobicContact CD2-CD2 4.3Å
201A93.4Very high92.2Very high0 Ų014.4 Ų14.40%08%0.076CC..Hα-helixtrans-63.3-41.917700000112.9I100 V197 I198 L199 G205 R206 F754I100-A201 HydrophobicContact CD1-CB 4.32Å; V197-A201 WeakPolarHBondContact O-CB 3.42Å; V197-A201 PolarHBondContact O-N 3.07Å; I198-A201 WeakPolarHBondContact O-CB 3.26Å; I198-A201 PolarHBondContact O-N 2.83Å; I198-A201 VanDerWaalsContact O-N 3.16Å; L199-A201 VanDerWaalsContact C-N 3.32Å; L199-A201 PolarHBondContact O-N 2.98Å; A201-G205 WeakPolarHBondContact O-CA 3.25Å; A201-G205 PolarHBondContact O-N 3.07Å; A201-R206 WeakPolarHBondContact CA-O 3.48Å; A201-F754 HydrophobicContact CB-CE2 4.06Å; A201-F754 HydrophobicContact CB-CZ 3.91Å
202L95.6Very high90.8Very high0 Ų017.1 Ų17.10%09%0.093CC..Hα-helixtrans-59.7-47.2174.3-69164.5000111.4L96 I100 L106 A111 I114 F115 I198 L199L96-L202 HydrophobicContact CD1-CD2 4.08Å; L96-L202 HydrophobicContact CD2-CD2 4.36Å; L96-L202 HydrophobicContact CG-CD2 4.46Å; I100-L202 HydrophobicContact CD1-CD2 3.8Å; I100-L202 HydrophobicContact CD1-CG 4.2Å; I100-L202 HydrophobicContact CG1-CD2 3.8Å; L106-L202 WeakPolarHBondContact CB-O 3.28Å; L106-L202 HydrophobicContact CD1-CD2 4.44Å; L106-L202 HydrophobicContact CD2-CD2 3.7Å; L106-L202 PolarHBondContact N-O 3.41Å; A111-L202 HydrophobicContact CB-CB 4.1Å; I114-L202 HydrophobicContact CG2-CD1 4.27Å; I114-L202 HydrophobicContact CG2-CD2 4.23Å; F115-L202 HydrophobicContact CB-CD1 4.48Å; F115-L202 HydrophobicContact CD2-CD1 4.4Å; I198-L202 HydrophobicContact CG2-CD1 4.15Å; I198-L202 WeakPolarHBondContact O-CG 3.49Å; I198-L202 PolarHBondContact O-N 3.4Å; L199-L202 PolarHBondContact O-N 3.25Å
203L96.6Very high89.5Confident8 Ų821.2 Ų21.24%0.04211%0.111CC..Hα-helixtrans-78-31.3-175.4-67.7177.1000114.2E108 A111 L199 Y200 L232 L240 W262E108-L203 HydrophobicContact CB-CD2 4.48Å; E108-L203 HydrophobicContact CG-CD2 4.01Å; A111-L203 HydrophobicContact CB-CD2 3.71Å; A111-L203 HydrophobicContact CB-CG 4.45Å; L199-L203 HydrophobicContact CD1-CD1 3.87Å; L199-L203 HydrophobicContact CD1-CG 4.01Å; L199-L203 HydrophobicContact CD2-CD1 4.49Å; L199-L203 HydrophobicContact CG-CD1 3.89Å; L199-L203 HydrophobicContact CG-CG 4.39Å; L199-L203 WeakPolarHBondContact O-CB 3.44Å; L199-L203 WeakPolarHBondContact O-CG 3.49Å; L199-L203 PolarHBondContact O-N 3.19Å; Y200-L203 PolarHBondContact O-N 3.18Å; L203-L232 HydrophobicContact CB-CD1 4.32Å; L203-L232 HydrophobicContact CB-CD2 4.17Å; L203-L232 HydrophobicContact CD1-CD1 4.31Å; L203-L232 HydrophobicContact CD1-CD2 4.49Å; L203-L232 HydrophobicContact CD2-CD2 4.42Å; L203-L240 HydrophobicContact CD1-CD1 4.33Å; L203-W262 HydrophobicContact CD2-CZ2 4.17Å
204C93.3Very high88.1Confident22 Ų2221.9 Ų21.915%0.14912%0.115CC..Hα-helixtrans-114.5-9.8-169.6-54.20000114.5Y200 R206Y200-C204 HydrophobicContact CD1-CB 4.02Å; Y200-C204 HydrophobicContact CE1-CB 3.72Å; Y200-C204 WeakPolarHBondContact O-CB 3.34Å; Y200-C204 PolarHBondContact O-N 2.95Å; Y200-C204 PolarHBondContact O-SG 3.16Å; Y200-C204 VanDerWaalsContact O-SG 3.41Å; C204-R206 HydrophobicContact CB-CG 4.18Å; C204-R206 PolarHBondContact O-N 2.9Å
205G88.6Confident87.2Confident20 Ų2025.1 Ų25.121%0.20613%0.129CC..SBendtrans725.6-178.200000115.8E104 A201E104-G205 WeakPolarHBondContact O-CA 3.27Å; A201-G205 WeakPolarHBondContact O-CA 3.25Å; A201-G205 PolarHBondContact O-N 3.07Å
206R86.9Confident86.4Confident115 Ų11528.7 Ų28.743%0.43415%0.146SC..SBendtrans-153.1166.1-174.165.2-177.4177.471.74.9110Y200 A201 C204Y200-R206 WeakPolarHBondContact CD1-O 3.15Å; Y200-R206 HydrophobicContact CE1-CG 4.3Å; Y200-R206 WeakPolarHBondContact CE1-O 3.47Å; Y200-R206 PolarHBondContact OH-NH1 3.26Å; Y200-R206 PolarHBondContact OH-NH2 3.3Å; A201-R206 WeakPolarHBondContact CA-O 3.48Å; C204-R206 HydrophobicContact CB-CG 4.18Å; C204-R206 PolarHBondContact O-N 2.9Å
207L88.6Confident85.5Confident11 Ų1128.8 Ų28.86%0.05815%0.146CC..  trans-77.9154.1176.9-68.7168.8000112.6A173 Y174 V197 Y200 F209 P211 F754A173-L207 HydrophobicContact CB-CD1 3.74Å; A173-L207 HydrophobicContact CB-CD2 4.47Å; Y174-L207 HydrophobicContact CE1-CD2 3.77Å; Y174-L207 HydrophobicContact CE2-CD2 4.47Å; V197-L207 HydrophobicContact CG1-CD2 3.61Å; Y200-L207 VanDerWaalsContact CE1-C 3.43Å; Y200-L207 WeakPolarHBondContact CE1-O 3.36Å; L207-F209 VanDerWaalsContact C-N 3.32Å; L207-F209 WeakPolarHBondContact CB-O 3.48Å; L207-P211 HydrophobicContact CD1-CG 3.87Å; L207-F754 HydrophobicContact CD1-CB 3.54Å; L207-F754 HydrophobicContact CD1-CD2 3.76Å; L207-F754 HydrophobicContact CD1-CG 3.77Å; L207-F754 HydrophobicContact CD2-CD2 3.84Å; L207-F754 HydrophobicContact CD2-CE2 4.02Å; L207-F754 HydrophobicContact CD2-CG 4.5Å; L207-F754 HydrophobicContact CG-CB 4.11Å; L207-F754 HydrophobicContact CG-CD1 4.38Å; L207-F754 HydrophobicContact CG-CD2 3.62Å; L207-F754 HydrophobicContact CG-CE2 4.11Å; L207-F754 HydrophobicContact CG-CG 3.78Å
208P91.6Very high85Confident13 Ų1331.4 Ų31.48%0.08416%0.163CC..SBendtrans-72.7-26.6174.327.9-31.5000112.5V197 Y200 F226 I244V197-P208 HydrophobicContact CB-CG 4.38Å; V197-P208 HydrophobicContact CG1-CG 4.03Å; V197-P208 HydrophobicContact CG2-CG 4.12Å; Y200-P208 HydrophobicContact CD1-CB 3.78Å; Y200-P208 VanDerWaalsContact CD1-CD 3.48Å; Y200-P208 HydrophobicContact CD1-CG 4.09Å; Y200-P208 VanDerWaalsContact CD1-N 3.32Å; Y200-P208 HydrophobicContact CD2-CB 3.96Å; Y200-P208 VanDerWaalsContact CE1-CA 3.45Å; Y200-P208 HydrophobicContact CE1-CB 3.93Å; Y200-P208 HydrophobicContact CE2-CB 4.1Å; Y200-P208 HydrophobicContact CG-CB 3.79Å; Y200-P208 HydrophobicContact CG-CG 4.11Å; P208-F226 HydrophobicContact CB-CB 3.76Å; P208-F226 HydrophobicContact CB-CD2 4.15Å; P208-F226 HydrophobicContact CB-CG 4.08Å; P208-I244 HydrophobicContact CB-CD1 4.31Å; P208-I244 HydrophobicContact CG-CD1 4.19Å
209F89.1Confident84.5Confident3 Ų337.5 Ų37.51%0.01319%0.192CC..SBendtrans-121126.8176.4-45.7-64.3000108.3W193 V197 L207 P211 L217 I220 I221 F226 I244W193-F209 HydrophobicContact CH2-CE2 4.14Å; W193-F209 AromaticContact CH2-CZ 3.91Å; W193-F209 HydrophobicContact CH2-CZ 3.91Å; W193-F209 HydrophobicContact CZ2-CD2 4.49Å; W193-F209 AromaticContact CZ2-CE2 3.43Å; W193-F209 HydrophobicContact CZ2-CE2 3.43Å; W193-F209 VanDerWaalsContact CZ2-CE2 3.43Å; W193-F209 AromaticContact CZ2-CZ 3.68Å; W193-F209 HydrophobicContact CZ2-CZ 3.68Å; V197-F209 HydrophobicContact CG2-CE2 4.46Å; L207-F209 VanDerWaalsContact C-N 3.32Å; L207-F209 WeakPolarHBondContact CB-O 3.48Å; F209-P211 WeakPolarHBondContact O-CD 3.34Å; F209-L217 HydrophobicContact CB-CD1 3.66Å; F209-I220 HydrophobicContact CB-CG2 4.4Å; F209-I220 HydrophobicContact CD1-CG2 3.82Å; F209-I221 HydrophobicContact CB-CG1 4.23Å; F209-I221 HydrophobicContact CD2-CG1 3.75Å; F209-I221 HydrophobicContact CE2-CG1 4.24Å; F209-I221 HydrophobicContact CG-CG1 3.89Å; F209-F226 HydrophobicContact CE1-CB 4.03Å; F209-F226 HydrophobicContact CE1-CD1 4.5Å; F209-F226 HydrophobicContact CZ-CD1 4.44Å; F209-I244 HydrophobicContact CE2-CG2 3.99Å; F209-I244 HydrophobicContact CZ-CG2 3.63Å
210D75.9Confident84Confident91 Ų9140 Ų4049%0.48721%0.205SC..  trans-74.2117.5-173.9-171.8-15.5000111.1T212D210-T212 VanDerWaalsContact C-N 3.27Å; D210-T212 PolarHBondContact O-N 3.11Å; D210-T212 WeakPolarHBondContact OD1-CB 3.36Å; D210-T212 WeakPolarHBondContact OD1-CG2 3.45Å; D210-T212 PolarHBondContact OD1-N 2.94Å; D210-T212 PolarHBondContact OD1-OG1 3.08Å; D210-T212 PolarHBondContact OD2-OG1 3.26Å
211P68.7Low83.7Confident9 Ų940 Ų406%0.05821%0.205CC..THydrogen-bonded Turntrans-77.4-5.8-179.535-38.9000113.9L207 F209 K213 M755L207-P211 HydrophobicContact CD1-CG 3.87Å; F209-P211 WeakPolarHBondContact O-CD 3.34Å; P211-K213 PolarHBondContact O-N 3.01Å; P211-K213 VanDerWaalsContact O-N 3.12Å; P211-M755 HydrophobicContact CB-CB 4.31Å; P211-M755 HydrophobicContact CB-CE 4.09Å; P211-M755 HydrophobicContact CG-CB 4.29Å; P211-M755 WeakPolarHBondContact O-CE 3.41Å
212T66Low83.5Confident57 Ų5741.9 Ų41.935%0.3522%0.224SC..THydrogen-bonded Turntrans-61.5-20.9-177.357.30000113.9D210 P214 S758D210-T212 VanDerWaalsContact C-N 3.27Å; D210-T212 PolarHBondContact O-N 3.11Å; D210-T212 WeakPolarHBondContact OD1-CB 3.36Å; D210-T212 WeakPolarHBondContact OD1-CG2 3.45Å; D210-T212 PolarHBondContact OD1-N 2.94Å; D210-T212 PolarHBondContact OD1-OG1 3.08Å; D210-T212 PolarHBondContact OD2-OG1 3.26Å; T212-P214 WeakPolarHBondContact O-CD 3.44Å; T212-S758 WeakPolarHBondContact CG2-OG 3.5Å
213K71Confident83.3Confident90 Ų9048.8 Ų48.839%0.39125%0.254SS..  trans-117.575.5176.2-68.8-163.9-175.5-1770111.9P211 E215 E216 L217P211-K213 PolarHBondContact O-N 3.01Å; P211-K213 VanDerWaalsContact O-N 3.12Å; K213-E215 WeakPolarHBondContact CA-OE1 3.4Å; K213-E215 VanDerWaalsContact CB-OE1 3.23Å; K213-E215 WeakPolarHBondContact CB-OE1 3.04Å; K213-E215 PolarHBondContact O-N 3Å; K213-E215 VanDerWaalsContact O-N 3.1Å; K213-E216 HydrophobicContact CB-CB 4.16Å; K213-E216 HydrophobicContact CB-CG 4.48Å; K213-E216 HydrophobicContact CD-CB 4.42Å; K213-E216 HydrophobicContact CD-CG 4.1Å; K213-E216 WeakPolarHBondContact CD-OE1 3.34Å; K213-E216 WeakPolarHBondContact CD-OE2 3.5Å; K213-E216 IonicContact NZ-OE1 2.87Å; K213-E216 PolarHBondContact NZ-OE1 3.32Å; K213-E216 IonicContact NZ-OE2 3.69Å; K213-E216 PolarHBondContact NZ-OE2 3.05Å; K213-E216 PolarHBondContact O-N 2.86Å; K213-L217 WeakPolarHBondContact O-CB 3.4Å; K213-L217 PolarHBondContact O-N 3.19Å
214P67.8Low82.9Confident13 Ų1349 Ų498%0.08426%0.258CS..THydrogen-bonded Turntrans-61.2-19.9-174.225.8-35.8000114.5T212 P218 F660T212-P214 WeakPolarHBondContact O-CD 3.44Å; P214-P218 WeakPolarHBondContact O-CD 3.43Å; P214-F660 HydrophobicContact CG-CE1 4.26Å
215E75Confident82.7Confident76 Ų7654.3 Ų54.336%0.35528%0.284SS..THydrogen-bonded Turntrans-79.1-38.317667.2-63.2147.300113.9K213K213-E215 WeakPolarHBondContact CA-OE1 3.4Å; K213-E215 VanDerWaalsContact CB-OE1 3.23Å; K213-E215 WeakPolarHBondContact CB-OE1 3.04Å; K213-E215 PolarHBondContact O-N 3Å; K213-E215 VanDerWaalsContact O-N 3.1Å
216E81Confident82.9Confident74 Ų7454.9 Ų54.935%0.34628%0.281SS..THydrogen-bonded Turntrans-79.2-28173.4-68.1-179.5-163.700111.7K213 Q219 I220K213-E216 HydrophobicContact CB-CB 4.16Å; K213-E216 HydrophobicContact CB-CG 4.48Å; K213-E216 HydrophobicContact CD-CB 4.42Å; K213-E216 HydrophobicContact CD-CG 4.1Å; K213-E216 WeakPolarHBondContact CD-OE1 3.34Å; K213-E216 WeakPolarHBondContact CD-OE2 3.5Å; K213-E216 IonicContact NZ-OE1 2.87Å; K213-E216 PolarHBondContact NZ-OE1 3.32Å; K213-E216 IonicContact NZ-OE2 3.69Å; K213-E216 PolarHBondContact NZ-OE2 3.05Å; K213-E216 PolarHBondContact O-N 2.86Å; E216-Q219 WeakPolarHBondContact O-CB 3.48Å; E216-Q219 PolarHBondContact O-N 2.91Å; E216-I220 HydrophobicContact CB-CD1 4.04Å; E216-I220 PolarHBondContact O-N 3.38Å; E216-I220 VanDerWaalsContact O-N 3.11Å
217L80.9Confident83.1Confident3 Ų352.7 Ų52.72%0.01629%0.287CS..Hα-helixtrans-51.1-43.9-171.5-176.564000115.1F172 F209 K213 Q219 I220 I221F172-L217 HydrophobicContact CB-CD2 3.83Å; F209-L217 HydrophobicContact CB-CD1 3.66Å; K213-L217 WeakPolarHBondContact O-CB 3.4Å; K213-L217 PolarHBondContact O-N 3.19Å; L217-Q219 VanDerWaalsContact C-N 3.25Å; L217-Q219 PolarHBondContact O-N 3.06Å; L217-I220 PolarHBondContact O-N 3.21Å; L217-I221 HydrophobicContact CD1-CD1 3.84Å; L217-I221 HydrophobicContact CD1-CG1 4.08Å; L217-I221 HydrophobicContact CD2-CD1 4.41Å; L217-I221 HydrophobicContact CG-CD1 3.74Å; L217-I221 HydrophobicContact CG-CG1 4.39Å; L217-I221 WeakPolarHBondContact O-CB 3.33Å; L217-I221 WeakPolarHBondContact O-CG1 3.13Å; L217-I221 PolarHBondContact O-N 3.12Å
218P83.7Confident83.3Confident55 Ų5553.8 Ų53.836%0.35729%0.294SS..Hα-helixtrans-62.7-31.6177.4-22.634.7000113.5L180 P214 G222L180-P218 HydrophobicContact CD1-CB 4.23Å; P214-P218 WeakPolarHBondContact O-CD 3.43Å; P218-G222 PolarHBondContact O-N 2.89Å
219Q86.1Confident83.2Confident127 Ų12755.4 Ų55.459%0.59331%0.305SS*.Hα-helixtrans-78.4-33.3-179.6-55.8158.37.100110.8E216 L217 K223E216-Q219 WeakPolarHBondContact O-CB 3.48Å; E216-Q219 PolarHBondContact O-N 2.91Å; L217-Q219 VanDerWaalsContact C-N 3.25Å; L217-Q219 PolarHBondContact O-N 3.06Å; Q219-K223 WeakPolarHBondContact O-CG 3.37Å; Q219-K223 PolarHBondContact O-N 3.2Å
220I87.3Confident83.3Confident53 Ų5362.1 Ų62.127%0.27234%0.341SS..Hα-helixtrans-68.5-50.2172.8-61.4170.4000109.8F209 E216 L217 G222 K223 G224F209-I220 HydrophobicContact CB-CG2 4.4Å; F209-I220 HydrophobicContact CD1-CG2 3.82Å; E216-I220 HydrophobicContact CB-CD1 4.04Å; E216-I220 PolarHBondContact O-N 3.38Å; E216-I220 VanDerWaalsContact O-N 3.11Å; L217-I220 PolarHBondContact O-N 3.21Å; I220-G222 VanDerWaalsContact C-N 3.32Å; I220-G222 PolarHBondContact O-N 2.81Å; I220-K223 WeakPolarHBondContact O-CB 3.4Å; I220-K223 PolarHBondContact O-N 3.28Å; I220-K223 VanDerWaalsContact O-N 3.07Å; I220-G224 PolarHBondContact O-N 3.31Å; I220-G224 VanDerWaalsContact O-N 3.16Å
221I90.1Very high84.1Confident0 Ų061.8 Ų61.80%036%0.359CS..Hα-helixtrans-58.2-43.5175.8-72.8169.8000111.1F172 P177 L180 W193 F209 L217 K223 G224F172-I221 WeakPolarHBondContact O-CD1 3.47Å; P177-I221 HydrophobicContact CB-CG2 4Å; L180-I221 HydrophobicContact CD1-CB 3.94Å; L180-I221 HydrophobicContact CD1-CD1 3.92Å; L180-I221 HydrophobicContact CD1-CG2 3.55Å; W193-I221 HydrophobicContact CH2-CG2 4.37Å; W193-I221 HydrophobicContact CZ2-CG2 3.77Å; F209-I221 HydrophobicContact CB-CG1 4.23Å; F209-I221 HydrophobicContact CD2-CG1 3.75Å; F209-I221 HydrophobicContact CE2-CG1 4.24Å; F209-I221 HydrophobicContact CG-CG1 3.89Å; L217-I221 HydrophobicContact CD1-CD1 3.84Å; L217-I221 HydrophobicContact CD1-CG1 4.08Å; L217-I221 HydrophobicContact CD2-CD1 4.41Å; L217-I221 HydrophobicContact CG-CD1 3.74Å; L217-I221 HydrophobicContact CG-CG1 4.39Å; L217-I221 WeakPolarHBondContact O-CB 3.33Å; L217-I221 WeakPolarHBondContact O-CG1 3.13Å; L217-I221 PolarHBondContact O-N 3.12Å; I221-K223 PolarHBondContact O-N 3.49Å; I221-G224 PolarHBondContact O-N 3.29Å
222G89.7Confident85.3Confident39 Ų3962.5 Ų62.540%0.40236%0.362SS..Hα-helixtrans-61.9-23.6176.700000114.7P218 I220P218-G222 PolarHBondContact O-N 2.89Å; I220-G222 VanDerWaalsContact C-N 3.32Å; I220-G222 PolarHBondContact O-N 2.81Å
223K91.5Very high86.8Confident146 Ų14661.3 Ų61.364%0.63536%0.357SS*.Hα-helixtrans-84-26.5171.3-68.6168.6-174.8175.30112.7Q219 I220 I221 L225Q219-K223 WeakPolarHBondContact O-CG 3.37Å; Q219-K223 PolarHBondContact O-N 3.2Å; I220-K223 WeakPolarHBondContact O-CB 3.4Å; I220-K223 PolarHBondContact O-N 3.28Å; I220-K223 VanDerWaalsContact O-N 3.07Å; I221-K223 PolarHBondContact O-N 3.49Å; K223-L225 HydrophobicContact CB-CD1 4.36Å; K223-L225 HydrophobicContact CB-CG 4.18Å; K223-L225 PolarHBondContact O-N 3.44Å
224G88.7Confident88Confident12 Ų1265.6 Ų65.612%0.12438%0.375CS..THydrogen-bonded Turntrans62.222.3-178.200000114.8I220 I221 F226 V246I220-G224 PolarHBondContact O-N 3.31Å; I220-G224 VanDerWaalsContact O-N 3.16Å; I221-G224 PolarHBondContact O-N 3.29Å; G224-F226 WeakPolarHBondContact O-CD1 3.45Å; G224-V246 VanDerWaalsContact CA-CG2 3.5Å
225L89.3Confident89.4Confident133 Ų13366.8 Ų66.870%0.69638%0.382SS*.  trans-90.8118.9179.2-61.9177000109.6K223K223-L225 HydrophobicContact CB-CD1 4.36Å; K223-L225 HydrophobicContact CB-CG 4.18Å; K223-L225 PolarHBondContact O-N 3.44Å
226F92Very high90.5Very high32 Ų3263.2 Ų63.214%0.1437%0.365CS..  trans-139145.7177.862.9-78.6000110.4Y200 P208 F209 G224 V228 L240 I244Y200-F226 AromaticContact CD2-CD2 3.95Å; Y200-F226 HydrophobicContact CD2-CD2 3.95Å; Y200-F226 HydrophobicContact CD2-CE2 4.17Å; Y200-F226 AromaticContact CE2-CD2 3.72Å; Y200-F226 HydrophobicContact CE2-CD2 3.72Å; Y200-F226 HydrophobicContact CE2-CE2 4.27Å; P208-F226 HydrophobicContact CB-CB 3.76Å; P208-F226 HydrophobicContact CB-CD2 4.15Å; P208-F226 HydrophobicContact CB-CG 4.08Å; F209-F226 HydrophobicContact CE1-CB 4.03Å; F209-F226 HydrophobicContact CE1-CD1 4.5Å; F209-F226 HydrophobicContact CZ-CD1 4.44Å; G224-F226 WeakPolarHBondContact O-CD1 3.45Å; F226-V228 HydrophobicContact CD2-CG2 3.74Å; F226-V228 HydrophobicContact CE2-CG2 3.4Å; F226-V228 VanDerWaalsContact CE2-CG2 3.4Å; F226-V228 HydrophobicContact CZ-CG2 4.3Å; F226-L240 HydrophobicContact CE2-CB 4.11Å; F226-L240 HydrophobicContact CZ-CB 4.26Å; F226-I244 HydrophobicContact CD1-CB 4.38Å; F226-I244 HydrophobicContact CD1-CD1 4.49Å; F226-I244 HydrophobicContact CD1-CG2 3.95Å; F226-I244 HydrophobicContact CD2-CD1 4.32Å; F226-I244 HydrophobicContact CE1-CB 3.68Å; F226-I244 HydrophobicContact CE1-CD1 4.16Å; F226-I244 HydrophobicContact CE1-CG1 4.47Å; F226-I244 HydrophobicContact CE1-CG2 3.73Å; F226-I244 HydrophobicContact CE2-CD1 3.94Å; F226-I244 HydrophobicContact CZ-CB 3.95Å; F226-I244 HydrophobicContact CZ-CD1 3.88Å; F226-I244 HydrophobicContact CZ-CG1 4.35Å; F226-I244 HydrophobicContact CZ-CG2 4.41Å
227A92.2Very high91.3Very high69 Ų6962.3 Ų62.357%0.5736%0.36SS*.  trans-85.7126.8179.900000110.8Y200Y200-A227 WeakPolarHBondContact CE2-O 3.49Å; Y200-A227 PolarHBondContact OH-O 3.37Å
228V90.9Very high92Very high34 Ų3466.4 Ų66.421%0.20638%0.379CS..  trans-104.6123.8177.7-168.80000109.6F226 L232 K237 L240F226-V228 HydrophobicContact CD2-CG2 3.74Å; F226-V228 HydrophobicContact CE2-CG2 3.4Å; F226-V228 VanDerWaalsContact CE2-CG2 3.4Å; F226-V228 HydrophobicContact CZ-CG2 4.3Å; V228-L232 HydrophobicContact CG1-CD1 3.82Å; V228-K237 HydrophobicContact CG1-CG 3.8Å; V228-L240 HydrophobicContact CG1-CD1 3.98Å
229P90.4Very high92.7Very high48 Ų4863.8 Ų63.831%0.31236%0.362SS..  trans-58.1143.8-178.6-25.634.4000113.5G231 L232 K237P229-G231 VanDerWaalsContact C-N 3.31Å; P229-G231 PolarHBondContact O-N 3.29Å; P229-L232 PolarHBondContact O-N 2.71Å; P229-K237 WeakPolarHBondContact O-CE 3.33Å
230D90.4Very high93.3Very high144 Ų14457.7 Ų57.777%0.7733%0.334SS*.THydrogen-bonded Turntrans-67.5-29.8-174.1-84.1-46.2000114.5L232 K237D230-L232 PolarHBondContact O-N 3.3Å; D230-K237 WeakPolarHBondContact O-CE 3.4Å; D230-K237 PolarHBondContact O-NZ 3.05Å; D230-K237 IonicContact OD1-NZ 3.2Å; D230-K237 PolarHBondContact OD1-NZ 3.42Å
231G92.9Very high93.8Very high84 Ų8459.6 Ų59.687%0.86635%0.345SS*.THydrogen-bonded Turntrans-70.6-7.3179.100000115.9P229P229-G231 VanDerWaalsContact C-N 3.31Å; P229-G231 PolarHBondContact O-N 3.29Å
232L95Very high94.1Very high23 Ų2362.7 Ų62.712%0.1236%0.359CS..SBendtrans-75.8147.2174.7-66.6-178.1000111.8E108 L203 V228 P229 D230 K237 L240E108-L232 HydrophobicContact CG-CD2 4.48Å; L203-L232 HydrophobicContact CB-CD1 4.32Å; L203-L232 HydrophobicContact CB-CD2 4.17Å; L203-L232 HydrophobicContact CD1-CD1 4.31Å; L203-L232 HydrophobicContact CD1-CD2 4.49Å; L203-L232 HydrophobicContact CD2-CD2 4.42Å; V228-L232 HydrophobicContact CG1-CD1 3.82Å; P229-L232 PolarHBondContact O-N 2.71Å; D230-L232 PolarHBondContact O-N 3.3Å; L232-K237 HydrophobicContact CB-CG 4.25Å; L232-K237 WeakPolarHBondContact O-CE 3.46Å; L232-L240 HydrophobicContact CD1-CD1 4.17Å
233S96.6Very high94.5Very high33 Ų3360.9 Ų60.923%0.23134%0.34CS..  trans-61.4154.2179.3710000112.2E108 T235 S236 K237E108-S233 WeakPolarHBondContact OE1-CB 3.18Å; E108-S233 PolarHBondContact OE1-N 2.99Å; E108-S233 PolarHBondContact OE1-OG 3.04Å; E108-S233 VanDerWaalsContact OE2-CB 3.3Å; E108-S233 WeakPolarHBondContact OE2-CB 3.42Å; E108-S233 PolarHBondContact OE2-OG 3.34Å; S233-T235 PolarHBondContact O-N 3.41Å; S233-T235 PolarHBondContact OG-OG1 2.79Å; S233-S236 WeakPolarHBondContact O-CB 3.44Å; S233-S236 PolarHBondContact O-N 2.78Å; S233-S236 VanDerWaalsContact O-N 3.14Å; S233-S236 WeakPolarHBondContact OG-CB 3.41Å; S233-S236 PolarHBondContact OG-N 3.28Å; S233-S236 PolarHBondContact OG-OG 2.96Å; S233-S236 VanDerWaalsContact OG-OG 3.08Å; S233-K237 WeakPolarHBondContact O-CG 3.49Å; S233-K237 PolarHBondContact O-N 3.07Å
234K96.8Very high94.8Very high180 Ų18054.2 Ų54.278%0.78331%0.311SS*.Hα-helixtrans-56.2-36.1176.3-175.9179.4177.4-177.60111.6Q238K234-Q238 WeakPolarHBondContact O-CB 3.42Å; K234-Q238 PolarHBondContact O-N 3.36Å
235T97.2Very high95.2Very high38 Ų3855 Ų5523%0.23331%0.314CS..Hα-helixtrans-73.7-37178.749.20000112S233 Q238 L239 H260 A261S233-T235 PolarHBondContact O-N 3.41Å; S233-T235 PolarHBondContact OG-OG1 2.79Å; T235-Q238 PolarHBondContact O-N 2.76Å; T235-L239 WeakPolarHBondContact O-CB 3.36Å; T235-L239 PolarHBondContact O-N 2.77Å; T235-H260 PolarHBondContact O-CE1 3.26Å; T235-A261 HydrophobicContact CG2-CB 4.05Å
236S97.5Very high95.5Very high0 Ų051.3 Ų51.30%030%0.297CS..Hα-helixtrans-58.2-52.1166.8-75.20000112.3E108 S233 Q238 L239 L240 W262E108-S236 WeakPolarHBondContact OE1-CB 3.33Å; E108-S236 PolarHBondContact OE1-OG 2.93Å; E108-S236 PolarHBondContact OE2-OG 2.82Å; S233-S236 WeakPolarHBondContact O-CB 3.44Å; S233-S236 PolarHBondContact O-N 2.78Å; S233-S236 VanDerWaalsContact O-N 3.14Å; S233-S236 WeakPolarHBondContact OG-CB 3.41Å; S233-S236 PolarHBondContact OG-N 3.28Å; S233-S236 PolarHBondContact OG-OG 2.96Å; S233-S236 VanDerWaalsContact OG-OG 3.08Å; S236-Q238 VanDerWaalsContact C-N 3.29Å; S236-Q238 PolarHBondContact O-N 3.14Å; S236-L239 PolarHBondContact O-N 3.41Å; S236-L240 WeakPolarHBondContact O-CG 3.09Å; S236-L240 PolarHBondContact O-N 3.39Å; S236-W262 PolarHBondContact OG-NE1 2.94Å
237K97.5Very high95.6Very high55 Ų5552.3 Ų52.324%0.23930%0.304CS..Hα-helixtrans-58.7-42.4-180-66.3-176.9-179172.70111V228 P229 D230 L232 S233 N241V228-K237 HydrophobicContact CG1-CG 3.8Å; P229-K237 WeakPolarHBondContact O-CE 3.33Å; D230-K237 WeakPolarHBondContact O-CE 3.4Å; D230-K237 PolarHBondContact O-NZ 3.05Å; D230-K237 IonicContact OD1-NZ 3.2Å; D230-K237 PolarHBondContact OD1-NZ 3.42Å; L232-K237 HydrophobicContact CB-CG 4.25Å; L232-K237 WeakPolarHBondContact O-CE 3.46Å; S233-K237 WeakPolarHBondContact O-CG 3.49Å; S233-K237 PolarHBondContact O-N 3.07Å; K237-N241 PolarHBondContact O-N 3.49Å; K237-N241 PolarHBondContact O-ND2 3.38Å
238Q97.2Very high95.7Very high89 Ų8951.4 Ų51.442%0.41629%0.292SS..Hα-helixtrans-62.9-48.3175.6-180174.4-19.900112.1K234 T235 S236 L240 N241 Q242K234-Q238 WeakPolarHBondContact O-CB 3.42Å; K234-Q238 PolarHBondContact O-N 3.36Å; T235-Q238 PolarHBondContact O-N 2.76Å; S236-Q238 VanDerWaalsContact C-N 3.29Å; S236-Q238 PolarHBondContact O-N 3.14Å; Q238-L240 PolarHBondContact O-N 3.13Å; Q238-N241 PolarHBondContact O-N 3.13Å; Q238-Q242 WeakPolarHBondContact O-CG 3.4Å; Q238-Q242 PolarHBondContact O-N 3.39Å
239L98.2Very high95.8Very high0 Ų058.7 Ų58.70%032%0.321CS..Hα-helixtrans-61.1-45.6-178.2-176.653.6000112.3L199 T235 S236 N241 Q242 M243 L257 H260 W262 V263L199-L239 HydrophobicContact CD2-CD2 3.62Å; L199-L239 HydrophobicContact CD2-CG 3.94Å; T235-L239 WeakPolarHBondContact O-CB 3.36Å; T235-L239 PolarHBondContact O-N 2.77Å; S236-L239 PolarHBondContact O-N 3.41Å; L239-N241 PolarHBondContact O-N 3.29Å; L239-Q242 PolarHBondContact O-N 3.37Å; L239-Q242 VanDerWaalsContact O-N 3.14Å; L239-M243 HydrophobicContact CD1-CG 3.99Å; L239-M243 HydrophobicContact CD1-SD 3.71Å; L239-M243 HydrophobicContact CG-CE 4.18Å; L239-M243 HydrophobicContact CG-SD 4.02Å; L239-M243 WeakPolarHBondContact O-CG 3.49Å; L239-M243 PolarHBondContact O-N 2.84Å; L239-L257 HydrophobicContact CD1-CD1 3.64Å; L239-H260 HydrophobicContact CD1-CB 4.19Å; L239-W262 HydrophobicContact CD2-CB 4.1Å; L239-W262 HydrophobicContact CD2-CD2 4.12Å; L239-W262 HydrophobicContact CD2-CE3 3.56Å; L239-W262 HydrophobicContact CD2-CG 4.36Å; L239-W262 HydrophobicContact CD2-CZ3 4.33Å; L239-V263 HydrophobicContact CD2-CG2 3.89Å
240L98.2Very high96.1Very high0 Ų064 Ų640%034%0.34CS..Hα-helixtrans-58.9-45.1178.3-72.6170.2000111.9L199 Y200 L203 F226 V228 L232 S236 Q238 Q242 M243 I244L199-L240 HydrophobicContact CB-CD2 4.18Å; L199-L240 HydrophobicContact CD2-CD2 4.04Å; L199-L240 HydrophobicContact CD2-CG 4.5Å; L199-L240 HydrophobicContact CG-CD2 3.99Å; Y200-L240 HydrophobicContact CD2-CD1 4.15Å; Y200-L240 HydrophobicContact CD2-CD2 4.3Å; L203-L240 HydrophobicContact CD1-CD1 4.33Å; F226-L240 HydrophobicContact CE2-CB 4.11Å; F226-L240 HydrophobicContact CZ-CB 4.26Å; V228-L240 HydrophobicContact CG1-CD1 3.98Å; L232-L240 HydrophobicContact CD1-CD1 4.17Å; S236-L240 WeakPolarHBondContact O-CG 3.09Å; S236-L240 PolarHBondContact O-N 3.39Å; Q238-L240 PolarHBondContact O-N 3.13Å; L240-Q242 VanDerWaalsContact C-N 3.3Å; L240-Q242 PolarHBondContact O-N 3.36Å; L240-M243 PolarHBondContact O-N 3.42Å; L240-I244 WeakPolarHBondContact O-CB 3.26Å; L240-I244 WeakPolarHBondContact O-CG1 3.44Å; L240-I244 PolarHBondContact O-N 3Å
241N97.1Very high96.5Very high92 Ų9257.4 Ų57.449%0.49230%0.304SS..Hα-helixtrans-66.5-30177-77.8-69.6000113.1K237 Q238 L239K237-N241 PolarHBondContact O-N 3.49Å; K237-N241 PolarHBondContact O-ND2 3.38Å; Q238-N241 PolarHBondContact O-N 3.13Å; L239-N241 PolarHBondContact O-N 3.29Å
242Q97.9Very high96.7Very high66 Ų6654 Ų5431%0.30827%0.266SS..Hα-helixtrans-76.6-32.2177.5-76.8-177.5-23.200113.1Q238 L239 L240 I252 H260Q238-Q242 WeakPolarHBondContact O-CG 3.4Å; Q238-Q242 PolarHBondContact O-N 3.39Å; L239-Q242 PolarHBondContact O-N 3.37Å; L239-Q242 VanDerWaalsContact O-N 3.14Å; L240-Q242 VanDerWaalsContact C-N 3.3Å; L240-Q242 PolarHBondContact O-N 3.36Å; Q242-I252 HydrophobicContact CB-CB 4.09Å; Q242-I252 HydrophobicContact CB-CD1 4.38Å; Q242-I252 HydrophobicContact CB-CG2 4.19Å; Q242-I252 WeakPolarHBondContact O-CG2 3.48Å; Q242-I252 PolarHBondContact O-N 2.97Å; Q242-H260 PolarHBondContact OE1-CD2 3.11Å; Q242-H260 VanDerWaalsContact OE1-CD2 3.24Å; Q242-H260 PolarHBondContact OE1-NE2 3.02Å
243M98.3Very high96.8Very high0 Ų059.5 Ų59.50%029%0.289CS..Hα-helixtrans-86.5-44.7178.4-63-171.6-32.300112.6F115 I192 L199 L239 L240 C245 R251 I252 L257F115-M243 HydrophobicContact CE1-CE 4.13Å; F115-M243 HydrophobicContact CE1-SD 4.23Å; F115-M243 HydrophobicContact CE2-CE 4.26Å; F115-M243 HydrophobicContact CZ-CE 3.49Å; F115-M243 VanDerWaalsContact CZ-CE 3.49Å; F115-M243 HydrophobicContact CZ-SD 3.83Å; I192-M243 HydrophobicContact CG2-CB 4.17Å; I192-M243 HydrophobicContact CG2-CG 4.1Å; L199-M243 HydrophobicContact CB-CE 3.85Å; L199-M243 HydrophobicContact CD2-CE 3.55Å; L199-M243 HydrophobicContact CG-CE 4.34Å; L239-M243 HydrophobicContact CD1-CG 3.99Å; L239-M243 HydrophobicContact CD1-SD 3.71Å; L239-M243 HydrophobicContact CG-CE 4.18Å; L239-M243 HydrophobicContact CG-SD 4.02Å; L239-M243 WeakPolarHBondContact O-CG 3.49Å; L239-M243 PolarHBondContact O-N 2.84Å; L240-M243 PolarHBondContact O-N 3.42Å; M243-C245 PolarHBondContact O-N 3.47Å; M243-R251 VanDerWaalsContact O-CD 3.32Å; M243-R251 WeakPolarHBondContact O-CD 3.49Å; M243-R251 WeakPolarHBondContact O-CG 3.44Å; M243-I252 HydrophobicContact CB-CG2 4.4Å; M243-I252 HydrophobicContact CG-CG2 3.54Å; M243-L257 HydrophobicContact CG-CD1 4.35Å; M243-L257 HydrophobicContact SD-CD1 3.34Å; M243-L257 WeakPolarHBondContact SD-CD1 3.17Å; M243-L257 HydrophobicContact SD-CD2 4Å; M243-L257 HydrophobicContact SD-CG 4.32Å
244I97.2Very high96.7Very high6 Ų658.9 Ų58.93%0.03128%0.283CS..SBendtrans-84.951.6176.1-47.3177.7000109.5W193 P208 F209 F226 L240W193-I244 HydrophobicContact CD2-CG2 4.38Å; W193-I244 HydrophobicContact CE3-CG2 4.1Å; W193-I244 HydrophobicContact CH2-CG2 3.6Å; W193-I244 HydrophobicContact CZ2-CG2 3.88Å; W193-I244 HydrophobicContact CZ3-CB 4.5Å; W193-I244 HydrophobicContact CZ3-CG2 3.71Å; P208-I244 HydrophobicContact CB-CD1 4.31Å; P208-I244 HydrophobicContact CG-CD1 4.19Å; F209-I244 HydrophobicContact CE2-CG2 3.99Å; F209-I244 HydrophobicContact CZ-CG2 3.63Å; F226-I244 HydrophobicContact CD1-CB 4.38Å; F226-I244 HydrophobicContact CD1-CD1 4.49Å; F226-I244 HydrophobicContact CD1-CG2 3.95Å; F226-I244 HydrophobicContact CD2-CD1 4.32Å; F226-I244 HydrophobicContact CE1-CB 3.68Å; F226-I244 HydrophobicContact CE1-CD1 4.16Å; F226-I244 HydrophobicContact CE1-CG1 4.47Å; F226-I244 HydrophobicContact CE1-CG2 3.73Å; F226-I244 HydrophobicContact CE2-CD1 3.94Å; F226-I244 HydrophobicContact CZ-CB 3.95Å; F226-I244 HydrophobicContact CZ-CD1 3.88Å; F226-I244 HydrophobicContact CZ-CG1 4.35Å; F226-I244 HydrophobicContact CZ-CG2 4.41Å; L240-I244 WeakPolarHBondContact O-CB 3.26Å; L240-I244 WeakPolarHBondContact O-CG1 3.44Å; L240-I244 PolarHBondContact O-N 3Å
245C96.4Very high96.5Very high28 Ų2854 Ų5419%0.18927%0.265CS..  trans-97124.5178-169.70000110.3M243 D247 R251M243-C245 PolarHBondContact O-N 3.47Å; C245-D247 VanDerWaalsContact C-N 3.33Å; C245-D247 PolarHBondContact O-N 2.98Å; C245-R251 HydrophobicContact CB-CB 3.97Å; C245-R251 HydrophobicContact CB-CG 4.11Å; C245-R251 VanDerWaalsContact O-CZ 3.29Å; C245-R251 PolarHBondContact O-NE 3.33Å; C245-R251 PolarHBondContact O-NH2 2.88Å
246V95.7Very high96.4Very high56 Ų5656.5 Ų56.534%0.33927%0.274SS..SBendtrans-63.3-37.8-176.61790000112.2P177 W193 G224 P248P177-V246 HydrophobicContact CB-CG1 4.39Å; P177-V246 HydrophobicContact CG-CB 4.44Å; P177-V246 HydrophobicContact CG-CG1 4.01Å; W193-V246 HydrophobicContact CH2-CG2 4.48Å; W193-V246 HydrophobicContact CZ3-CG2 4.33Å; G224-V246 VanDerWaalsContact CA-CG2 3.5Å; V246-P248 VanDerWaalsContact O-CD 3.23Å; V246-P248 WeakPolarHBondContact O-CD 3.44Å
247D94.4Very high96.4Very high54 Ų5456.5 Ų56.529%0.28927%0.274SS..SBendtrans-82.5108.1177.4-179.1-7.3000109.9C245 K249 K250 R251C245-D247 VanDerWaalsContact C-N 3.33Å; C245-D247 PolarHBondContact O-N 2.98Å; D247-K249 PolarHBondContact O-N 3.14Å; D247-K249 WeakPolarHBondContact OD1-CB 3.3Å; D247-K249 PolarHBondContact OD1-N 3.43Å; D247-K250 HydrophobicContact CB-CB 4.2Å; D247-K250 HydrophobicContact CB-CD 4.1Å; D247-K250 HydrophobicContact CB-CG 4.26Å; D247-K250 PolarHBondContact O-N 3.06Å; D247-K250 VanDerWaalsContact OD2-CD 3.26Å; D247-K250 WeakPolarHBondContact OD2-CD 3.46Å; D247-K250 WeakPolarHBondContact OD2-CE 3.37Å; D247-K250 WeakPolarHBondContact OD2-CG 3.46Å; D247-K250 IonicContact OD2-NZ 3.42Å; D247-R251 PolarHBondContact O-N 3.42Å
248P93.4Very high96.1Very high49 Ų4955.5 Ų55.532%0.31827%0.269SS..THydrogen-bonded Turntrans-65.8-12.1-177.529.1-36.5000113.3E178 A189 V246E178-P248 HydrophobicContact CG-CG 4.32Å; A189-P248 HydrophobicContact CB-CB 4.12Å; V246-P248 VanDerWaalsContact O-CD 3.23Å; V246-P248 WeakPolarHBondContact O-CD 3.44Å
249K94.1Very high96Very high187 Ų18757.2 Ų57.281%0.81327%0.271SS*.THydrogen-bonded Turntrans-81.8-23173-60.3-178.3177.9-178.70112.9D247D247-K249 PolarHBondContact O-N 3.14Å; D247-K249 WeakPolarHBondContact OD1-CB 3.3Å; D247-K249 PolarHBondContact OD1-N 3.43Å
250K96.4Very high95.9Very high160 Ų16057.9 Ų57.970%0.69627%0.274SS*.THydrogen-bonded Turntrans-101-18.2178.1-65.3175.9-172.2167.30113.1D247D247-K250 HydrophobicContact CB-CB 4.2Å; D247-K250 HydrophobicContact CB-CD 4.1Å; D247-K250 HydrophobicContact CB-CG 4.26Å; D247-K250 PolarHBondContact O-N 3.06Å; D247-K250 VanDerWaalsContact OD2-CD 3.26Å; D247-K250 WeakPolarHBondContact OD2-CD 3.46Å; D247-K250 WeakPolarHBondContact OD2-CE 3.37Å; D247-K250 WeakPolarHBondContact OD2-CG 3.46Å; D247-K250 IonicContact OD2-NZ 3.42Å
251R97.8Very high95.7Very high6 Ų660.5 Ų60.52%0.02330%0.296CS..SBendtrans-56.1136.7171.8-163177.6-58149.16.8110.2E178 A189 I192 M243 C245 D247E178-R251 IonicContact OE1-CZ 3.8Å; E178-R251 IonicContact OE1-NH1 3.59Å; E178-R251 PolarHBondContact OE1-NH1 3.2Å; E178-R251 IonicContact OE1-NH2 2.63Å; E178-R251 PolarHBondContact OE1-NH2 3.01Å; E178-R251 IonicContact OE2-CZ 2.69Å; E178-R251 IonicContact OE2-NH1 2.73Å; E178-R251 IonicContact OE2-NH2 3.9Å; E178-R251 PolarHBondContact OE2-NH2 3.35Å; A189-R251 VanDerWaalsContact C-NH1 3.25Å; A189-R251 WeakPolarHBondContact O-CD 3.45Å; A189-R251 PolarHBondContact O-NH1 3.28Å; I192-R251 HydrophobicContact CG2-CG 3.91Å; M243-R251 VanDerWaalsContact O-CD 3.32Å; M243-R251 WeakPolarHBondContact O-CD 3.49Å; M243-R251 WeakPolarHBondContact O-CG 3.44Å; C245-R251 HydrophobicContact CB-CB 3.97Å; C245-R251 HydrophobicContact CB-CG 4.11Å; C245-R251 VanDerWaalsContact O-CZ 3.29Å; C245-R251 PolarHBondContact O-NE 3.33Å; C245-R251 PolarHBondContact O-NH2 2.88Å; D247-R251 PolarHBondContact O-N 3.42Å
252I98.2Very high95.7Very high13 Ų1356.1 Ų56.17%0.06727%0.272CS..PPolyproline II helixtrans-56.3138-178.9-169.2169.9000111.4I192 Q242 M243 E256 L257I192-I252 HydrophobicContact CG2-CG2 3.87Å; Q242-I252 HydrophobicContact CB-CB 4.09Å; Q242-I252 HydrophobicContact CB-CD1 4.38Å; Q242-I252 HydrophobicContact CB-CG2 4.19Å; Q242-I252 WeakPolarHBondContact O-CG2 3.48Å; Q242-I252 PolarHBondContact O-N 2.97Å; M243-I252 HydrophobicContact CB-CG2 4.4Å; M243-I252 HydrophobicContact CG-CG2 3.54Å; I252-E256 HydrophobicContact CD1-CB 4.01Å; I252-E256 HydrophobicContact CG1-CB 3.5Å; I252-L257 HydrophobicContact CD1-CB 4.21Å; I252-L257 HydrophobicContact CG1-CB 4.3Å; I252-L257 HydrophobicContact CG2-CB 4.49Å
253K96.2Very high95.6Very high138 Ų13853 Ų5360%0.626%0.258SS*.PPolyproline II helixtrans-84.6155.4177.8-63.6174.9-174.6169.90110.4D255 E256 L257K253-D255 PolarHBondContact O-N 3.42Å; K253-D255 VanDerWaalsContact O-N 3.12Å; K253-E256 PolarHBondContact N-OE2 3.39Å; K253-E256 WeakPolarHBondContact O-CB 3.37Å; K253-E256 PolarHBondContact O-N 2.99Å; K253-L257 WeakPolarHBondContact O-CB 3.22Å; K253-L257 PolarHBondContact O-N 2.84Å
254M95.2Very high95.3Very high20 Ų2055 Ų5510%0.09927%0.27CS..Hα-helixtrans-50.5-41.3179.3-178.257.872.200113.1V119 I122 I192 L195 E256 L257 R258 L274V119-M254 HydrophobicContact CG1-SD 3.84Å; I122-M254 HydrophobicContact CB-CE 3.96Å; I122-M254 HydrophobicContact CG2-CE 3.68Å; I192-M254 HydrophobicContact CD1-CB 4.38Å; I192-M254 HydrophobicContact CD1-CE 3.85Å; I192-M254 HydrophobicContact CD1-SD 4.46Å; L195-M254 HydrophobicContact CD1-CE 4.36Å; M254-E256 PolarHBondContact O-N 2.86Å; M254-L257 PolarHBondContact O-N 3.46Å; M254-L257 HydrophobicContact SD-CD2 4.3Å; M254-R258 WeakPolarHBondContact O-CG 3.43Å; M254-R258 PolarHBondContact O-N 3.19Å; M254-L274 HydrophobicContact CG-CD1 4.35Å
255D92.8Very high95.1Very high76 Ų7659.1 Ų59.141%0.40629%0.289SS..Hα-helixtrans-62.7-38.2176.6-106.3-51.4000114K253 R258 R259K253-D255 PolarHBondContact O-N 3.42Å; K253-D255 VanDerWaalsContact O-N 3.12Å; D255-R258 VanDerWaalsContact O-CG 3.24Å; D255-R258 WeakPolarHBondContact O-CG 3.02Å; D255-R258 IonicContact OD1-CZ 3.1Å; D255-R258 VanDerWaalsContact OD1-CZ 3.26Å; D255-R258 IonicContact OD1-NE 3.68Å; D255-R258 PolarHBondContact OD1-NE 3.07Å; D255-R258 IonicContact OD1-NH2 2.75Å; D255-R258 PolarHBondContact OD1-NH2 3.4Å; D255-R259 PolarHBondContact O-NE 3.47Å; D255-R259 PolarHBondContact O-NH1 2.98Å; D255-R259 PolarHBondContact O-NH2 2.94Å; D255-R259 IonicContact OD1-CZ 2.64Å; D255-R259 IonicContact OD1-NH1 2.81Å; D255-R259 PolarHBondContact OD1-NH1 3.44Å
256E95.3Very high94.6Very high91 Ų9161.7 Ų61.743%0.42532%0.32SS..Hα-helixtrans-76.7-40.8177.5-64.9158.8171.800110.3I252 K253 M254 R258 R259 H260I252-E256 HydrophobicContact CD1-CB 4.01Å; I252-E256 HydrophobicContact CG1-CB 3.5Å; K253-E256 PolarHBondContact N-OE2 3.39Å; K253-E256 WeakPolarHBondContact O-CB 3.37Å; K253-E256 PolarHBondContact O-N 2.99Å; M254-E256 PolarHBondContact O-N 2.86Å; E256-R258 PolarHBondContact O-N 2.89Å; E256-R259 CarbonylContact O-C 3.43Å; E256-R259 PolarHBondContact O-N 3.43Å; E256-R259 VanDerWaalsContact O-N 3.16Å; E256-H260 PolarHBondContact O-N 2.92Å
257L96.5Very high93.7Very high0 Ų064.7 Ų64.70%033%0.329CS..Hα-helixtrans-56-51.5177.3170.655.8000111.5F115 V119 I192 L195 L239 M243 I252 K253 M254 R259 H260 V263F115-L257 HydrophobicContact CE1-CD1 4.23Å; V119-L257 HydrophobicContact CG1-CD2 4.16Å; V119-L257 HydrophobicContact CG1-CG 4.08Å; V119-L257 HydrophobicContact CG2-CD2 4.07Å; V119-L257 HydrophobicContact CG2-CG 4.33Å; I192-L257 HydrophobicContact CD1-CD2 3.48Å; I192-L257 VanDerWaalsContact CD1-CD2 3.48Å; L195-L257 HydrophobicContact CD1-CD2 4.24Å; L239-L257 HydrophobicContact CD1-CD1 3.64Å; M243-L257 HydrophobicContact CG-CD1 4.35Å; M243-L257 HydrophobicContact SD-CD1 3.34Å; M243-L257 WeakPolarHBondContact SD-CD1 3.17Å; M243-L257 HydrophobicContact SD-CD2 4Å; M243-L257 HydrophobicContact SD-CG 4.32Å; I252-L257 HydrophobicContact CD1-CB 4.21Å; I252-L257 HydrophobicContact CG1-CB 4.3Å; I252-L257 HydrophobicContact CG2-CB 4.49Å; K253-L257 WeakPolarHBondContact O-CB 3.22Å; K253-L257 PolarHBondContact O-N 2.84Å; M254-L257 PolarHBondContact O-N 3.46Å; M254-L257 HydrophobicContact SD-CD2 4.3Å; L257-R259 PolarHBondContact O-N 2.89Å; L257-R259 VanDerWaalsContact O-N 3.17Å; L257-H260 VanDerWaalsContact O-CB 3.27Å; L257-H260 WeakPolarHBondContact O-CB 3.17Å; L257-H260 PolarHBondContact O-N 2.91Å; L257-V263 HydrophobicContact CD1-CG2 4.23Å; L257-V263 WeakPolarHBondContact O-CG2 3.48Å
258R92.8Very high92.2Very high35 Ų3572.2 Ų72.213%0.13237%0.365CS..Hα-helixtrans-62.5-24.8-178.872.4167.1177.4122.2-16.1113.1V119 M254 D255 E256 H270 V272V119-R258 HydrophobicContact CG1-CB 4.3Å; M254-R258 WeakPolarHBondContact O-CG 3.43Å; M254-R258 PolarHBondContact O-N 3.19Å; D255-R258 VanDerWaalsContact O-CG 3.24Å; D255-R258 WeakPolarHBondContact O-CG 3.02Å; D255-R258 IonicContact OD1-CZ 3.1Å; D255-R258 VanDerWaalsContact OD1-CZ 3.26Å; D255-R258 IonicContact OD1-NE 3.68Å; D255-R258 PolarHBondContact OD1-NE 3.07Å; D255-R258 IonicContact OD1-NH2 2.75Å; D255-R258 PolarHBondContact OD1-NH2 3.4Å; E256-R258 PolarHBondContact O-N 2.89Å; R258-H270 VanDerWaalsContact C-CE1 3.48Å; R258-H270 VanDerWaalsContact CD-CE1 3.49Å; R258-H270 WeakPolarHBondContact CD-CE1 3.27Å; R258-H270 VanDerWaalsContact CG-CE1 3.4Å; R258-H270 WeakPolarHBondContact CG-CE1 3.45Å; R258-H270 PolarHBondContact NH1-CE1 3.2Å; R258-H270 PolarHBondContact NH1-NE2 2.84Å; R258-H270 PolarHBondContact O-CE1 3.43Å; R258-V272 HydrophobicContact CB-CB 4.19Å; R258-V272 HydrophobicContact CB-CG1 4.13Å
259R93.2Very high90.8Very high124 Ų12472.2 Ų72.247%0.46837%0.373SS..THydrogen-bonded Turntrans-93.9-4.5176.5-74-171.9-64.4-864.4113.8D255 E256 L257 H270D255-R259 PolarHBondContact O-NE 3.47Å; D255-R259 PolarHBondContact O-NH1 2.98Å; D255-R259 PolarHBondContact O-NH2 2.94Å; D255-R259 IonicContact OD1-CZ 2.64Å; D255-R259 IonicContact OD1-NH1 2.81Å; D255-R259 PolarHBondContact OD1-NH1 3.44Å; E256-R259 CarbonylContact O-C 3.43Å; E256-R259 PolarHBondContact O-N 3.43Å; E256-R259 VanDerWaalsContact O-N 3.16Å; L257-R259 PolarHBondContact O-N 2.89Å; L257-R259 VanDerWaalsContact O-N 3.17Å; R259-H270 WeakPolarHBondContact CG-NE2 3.35Å
260H96Very high89.4Confident15 Ų1566.4 Ų66.47%0.06935%0.349CS..  trans-62.5141.5-173.3-175.2-93.1000111.3T235 L239 Q242 E256 L257 W262 V263 V264T235-H260 PolarHBondContact O-CE1 3.26Å; L239-H260 HydrophobicContact CD1-CB 4.19Å; Q242-H260 PolarHBondContact OE1-CD2 3.11Å; Q242-H260 VanDerWaalsContact OE1-CD2 3.24Å; Q242-H260 PolarHBondContact OE1-NE2 3.02Å; E256-H260 PolarHBondContact O-N 2.92Å; L257-H260 VanDerWaalsContact O-CB 3.27Å; L257-H260 WeakPolarHBondContact O-CB 3.17Å; L257-H260 PolarHBondContact O-N 2.91Å; H260-W262 VanDerWaalsContact C-N 3.28Å; H260-W262 PolarHBondContact ND1-N 2.98Å; H260-W262 PolarHBondContact O-N 3.02Å; H260-W262 VanDerWaalsContact O-N 3.14Å; H260-V263 HydrophobicContact CB-CB 4.5Å; H260-V263 HydrophobicContact CB-CG2 4.25Å; H260-V263 WeakPolarHBondContact O-CA 3.36Å; H260-V263 WeakPolarHBondContact O-CB 3.17Å; H260-V263 PolarHBondContact O-N 3.01Å; H260-V264 PolarHBondContact O-N 3.46Å
261A95.3Very high88.1Confident54 Ų5460.1 Ų60.145%0.44633%0.325SS..Hα-helixtrans-49.3-46.3-17400000113.2T235 V263 V264 E265T235-A261 HydrophobicContact CG2-CB 4.05Å; A261-V263 VanDerWaalsContact C-N 3.33Å; A261-V263 PolarHBondContact O-N 2.69Å; A261-V264 WeakPolarHBondContact O-CG2 3.28Å; A261-V264 PolarHBondContact O-N 3.2Å; A261-E265 PolarHBondContact O-N 2.73Å; A261-E265 VanDerWaalsContact O-N 3.07Å
262W96.6Very high86.9Confident1 Ų159.9 Ų59.90%0.00432%0.324CS..Hα-helixtrans-62.1-36175.9-168.583.5000113.5E108 A111 R112 F115 L199 L203 S236 L239 H260E108-W262 HydrophobicContact CB-CZ2 4.25Å; E108-W262 PolarHBondContact OE2-NE1 3.33Å; A111-W262 HydrophobicContact CB-CH2 4.34Å; R112-W262 VanDerWaalsContact CA-CH2 3.41Å; R112-W262 HydrophobicContact CB-CH2 3.6Å; R112-W262 HydrophobicContact CB-CZ2 3.85Å; R112-W262 HydrophobicContact CB-CZ3 4Å; R112-W262 WeakPolarHBondContact CD-O 3.4Å; R112-W262 HydrophobicContact CG-CE3 4.29Å; R112-W262 HydrophobicContact CG-CH2 4.17Å; R112-W262 HydrophobicContact CG-CZ2 4.48Å; R112-W262 HydrophobicContact CG-CZ3 4.06Å; R112-W262 PolarHBondContact NE-O 3.23Å; F115-W262 HydrophobicContact CB-CZ3 4.24Å; F115-W262 AromaticContact CD1-CZ3 3.91Å; F115-W262 HydrophobicContact CD1-CZ3 3.91Å; F115-W262 HydrophobicContact CG-CZ3 4.35Å; L199-W262 HydrophobicContact CD1-CH2 3.53Å; L199-W262 HydrophobicContact CD1-CZ2 4.34Å; L199-W262 HydrophobicContact CD1-CZ3 3.77Å; L199-W262 HydrophobicContact CD2-CZ3 4.34Å; L203-W262 HydrophobicContact CD2-CZ2 4.17Å; S236-W262 PolarHBondContact OG-NE1 2.94Å; L239-W262 HydrophobicContact CD2-CB 4.1Å; L239-W262 HydrophobicContact CD2-CD2 4.12Å; L239-W262 HydrophobicContact CD2-CE3 3.56Å; L239-W262 HydrophobicContact CD2-CG 4.36Å; L239-W262 HydrophobicContact CD2-CZ3 4.33Å; H260-W262 VanDerWaalsContact C-N 3.28Å; H260-W262 PolarHBondContact ND1-N 2.98Å; H260-W262 PolarHBondContact O-N 3.02Å; H260-W262 VanDerWaalsContact O-N 3.14Å
263V95.4Very high85.5Confident0 Ų062 Ų620%034%0.335CS..Hα-helixtrans-75.6-31.3-179.3178.30000111.2R116 L239 L257 H260 A261 P271R116-V263 HydrophobicContact CG-CG1 4.24Å; R116-V263 PolarHBondContact NE-O 2.88Å; R116-V263 PolarHBondContact NH2-O 2.67Å; L239-V263 HydrophobicContact CD2-CG2 3.89Å; L257-V263 HydrophobicContact CD1-CG2 4.23Å; L257-V263 WeakPolarHBondContact O-CG2 3.48Å; H260-V263 HydrophobicContact CB-CB 4.5Å; H260-V263 HydrophobicContact CB-CG2 4.25Å; H260-V263 WeakPolarHBondContact O-CA 3.36Å; H260-V263 WeakPolarHBondContact O-CB 3.17Å; H260-V263 PolarHBondContact O-N 3.01Å; A261-V263 VanDerWaalsContact C-N 3.33Å; A261-V263 PolarHBondContact O-N 2.69Å; V263-P271 WeakPolarHBondContact O-CG 3.47Å
264V93.3Very high84.2Confident43 Ų4356.4 Ų56.426%0.26131%0.312SS..Hα-helixtrans-90-14.4179.9-56.40000114.4R116 H260 A261 G266 F267 P271R116-V264 VanDerWaalsContact NH2-C 3.29Å; R116-V264 PolarHBondContact NH2-O 2.7Å; H260-V264 PolarHBondContact O-N 3.46Å; A261-V264 WeakPolarHBondContact O-CG2 3.28Å; A261-V264 PolarHBondContact O-N 3.2Å; V264-G266 PolarHBondContact O-N 2.76Å; V264-F267 PolarHBondContact O-N 2.83Å; V264-P271 HydrophobicContact CG1-CG 4.39Å
265E92.7Very high82.6Confident92 Ų9259.3 Ų59.343%0.4333%0.328SS..THydrogen-bonded Turntrans-51.8122.8-176.2-165.7-177.9146.900114.1R112 R116 A261R112-E265 IonicContact CZ-OE1 3.32Å; R112-E265 IonicContact CZ-OE2 3.67Å; R112-E265 IonicContact NE-OE2 3.29Å; R112-E265 IonicContact NH2-OE1 3.42Å; R112-E265 PolarHBondContact NH2-OE1 2.96Å; R112-E265 VanDerWaalsContact NH2-OE1 3.12Å; R112-E265 IonicContact NH2-OE2 3.88Å; R112-E265 PolarHBondContact NH2-OE2 3.31Å; R116-E265 PolarHBondContact NH2-O 3.48Å; A261-E265 PolarHBondContact O-N 2.73Å; A261-E265 VanDerWaalsContact O-N 3.07Å
266G86Confident80.7Confident81 Ų8161.5 Ų61.584%0.83534%0.335SS*.THydrogen-bonded Turntrans84.46.6-178.400000115.7V264V264-G266 PolarHBondContact O-N 2.76Å
267F77.3Confident78.8Confident120 Ų12059.1 Ų59.153%0.52632%0.324SS..  trans-116.6140.3169.8-87.7-116.1000110.5R116 V264 G269 P271R116-F267 VanDerWaalsContact NH1-CD2 3.28Å; V264-F267 PolarHBondContact O-N 2.83Å; F267-G269 VanDerWaalsContact C-N 3.26Å; F267-G269 PolarHBondContact O-N 3.15Å; F267-P271 HydrophobicContact CB-CB 4.22Å; F267-P271 HydrophobicContact CD1-CB 3.77Å; F267-P271 HydrophobicContact CD2-CB 4.31Å; F267-P271 HydrophobicContact CE1-CB 4.19Å; F267-P271 HydrophobicContact CG-CB 3.84Å
268M62.3Low76.6Confident212 Ų21266.3 Ų66.3100%1.04436%0.356SS*.SBendtrans-84.84.9176.1-73-167157.700113.9
269G63.8Low74.4Confident48 Ų4870.3 Ų70.350%0.49538%0.378SS..SBendtrans-147.2-159.4-179.700000110.6F267 P271F267-G269 VanDerWaalsContact C-N 3.26Å; F267-G269 PolarHBondContact O-N 3.15Å; G269-P271 VanDerWaalsContact O-CD 3.28Å; G269-P271 WeakPolarHBondContact O-CD 2.65Å
270H65.2Low72.6Confident66 Ų6669.6 Ų69.631%0.30639%0.39SS..  trans-87.2107.5179.5-149.6-63.8000110R258 R259 V272R258-H270 VanDerWaalsContact C-CE1 3.48Å; R258-H270 VanDerWaalsContact CD-CE1 3.49Å; R258-H270 WeakPolarHBondContact CD-CE1 3.27Å; R258-H270 VanDerWaalsContact CG-CE1 3.4Å; R258-H270 WeakPolarHBondContact CG-CE1 3.45Å; R258-H270 PolarHBondContact NH1-CE1 3.2Å; R258-H270 PolarHBondContact NH1-NE2 2.84Å; R258-H270 PolarHBondContact O-CE1 3.43Å; R259-H270 WeakPolarHBondContact CG-NE2 3.35Å; H270-V272 PolarHBondContact CE1-O 3.11Å; H270-V272 VanDerWaalsContact CE1-O 3.24Å; H270-V272 PolarHBondContact ND1-O 3.39Å; H270-V272 PolarHBondContact O-N 3.28Å; H270-V272 VanDerWaalsContact O-N 3.15Å
271P68.2Low70.9Confident28 Ų2874.4 Ų74.418%0.18242%0.415CS..SBendtrans-74.1-6.3-174.132.4-37.4000113.7R116 V263 V264 F267 G269R116-P271 HydrophobicContact CG-CB 4.3Å; R116-P271 HydrophobicContact CG-CG 4.41Å; V263-P271 WeakPolarHBondContact O-CG 3.47Å; V264-P271 HydrophobicContact CG1-CG 4.39Å; F267-P271 HydrophobicContact CB-CB 4.22Å; F267-P271 HydrophobicContact CD1-CB 3.77Å; F267-P271 HydrophobicContact CD2-CB 4.31Å; F267-P271 HydrophobicContact CE1-CB 4.19Å; F267-P271 HydrophobicContact CG-CB 3.84Å; G269-P271 VanDerWaalsContact O-CD 3.28Å; G269-P271 WeakPolarHBondContact O-CD 2.65Å
272V73.1Confident69.6Low0 Ų074.2 Ų74.20%041%0.411CS..SBendtrans-130.592.1177.3174.30000107.6R116 V119 R258 H270 L274R116-V272 HydrophobicContact CB-CG2 4.16Å; R116-V272 HydrophobicContact CG-CG2 4.33Å; R116-V272 WeakPolarHBondContact O-CG2 3.32Å; V119-V272 HydrophobicContact CB-CG2 4.39Å; V119-V272 HydrophobicContact CG1-CG1 4.2Å; V119-V272 HydrophobicContact CG1-CG2 4.35Å; R258-V272 HydrophobicContact CB-CB 4.19Å; R258-V272 HydrophobicContact CB-CG1 4.13Å; H270-V272 PolarHBondContact CE1-O 3.11Å; H270-V272 VanDerWaalsContact CE1-O 3.24Å; H270-V272 PolarHBondContact ND1-O 3.39Å; H270-V272 PolarHBondContact O-N 3.28Å; H270-V272 VanDerWaalsContact O-N 3.15Å; V272-L274 HydrophobicContact CG1-CD2 3.93Å
273D68.3Low68.9Low59 Ų5979.9 Ų79.932%0.31645%0.448SS..  trans-78.5138.1170.1-153.4-44000109.5D275 E276D273-D275 WeakPolarHBondContact OD1-CA 3.4Å; D273-D275 WeakPolarHBondContact OD1-CB 3.44Å; D273-D275 PolarHBondContact OD1-N 3.47Å; D273-E276 HydrophobicContact CB-CB 4.02Å; D273-E276 HydrophobicContact CB-CG 3.91Å; D273-E276 PolarHBondContact OD1-N 3.01Å; D273-E276 VanDerWaalsContact OD1-N 3.16Å
274L70Confident68.7Low20 Ų2080.9 Ų80.911%0.10545%0.453CS..SBendtrans-108.3-12.3174.9-60-170.1000112.3M254 V272M254-L274 HydrophobicContact CG-CD1 4.35Å; V272-L274 HydrophobicContact CG1-CD2 3.93Å
275D60.4Low68.8Low81 Ų8181.2 Ų81.243%0.43345%0.453SS..SBendtrans-101.3-21.7-175.8-70.5-60.8000112.3D273 E277 K278D273-D275 WeakPolarHBondContact OD1-CA 3.4Å; D273-D275 WeakPolarHBondContact OD1-CB 3.44Å; D273-D275 PolarHBondContact OD1-N 3.47Å; D275-E277 PolarHBondContact O-N 3.38Å; D275-K278 PolarHBondContact O-N 3.03Å; D275-K278 WeakPolarHBondContact OD1-CE 3.27Å; D275-K278 IonicContact OD1-NZ 2.67Å; D275-K278 PolarHBondContact OD1-NZ 3.17Å
276E54Low68.9Low121 Ų12180.9 Ų80.957%0.56545%0.453SS*.THydrogen-bonded Turntrans-54.3-15177.5-97.5-172.4170.900114.9D273 I279D273-E276 HydrophobicContact CB-CB 4.02Å; D273-E276 HydrophobicContact CB-CG 3.91Å; D273-E276 PolarHBondContact OD1-N 3.01Å; D273-E276 VanDerWaalsContact OD1-N 3.16Å; E276-I279 WeakPolarHBondContact O-CD1 3.32Å; E276-I279 VanDerWaalsContact O-CG1 3.25Å; E276-I279 WeakPolarHBondContact O-CG1 3.45Å
277E53.8Low69.3Low42 Ų4282.1 Ų82.120%0.19644%0.437CS..THydrogen-bonded Turntrans-118.123.8177.4-66.1-178.3-173.900113.8H68 Y124 R128 D275 I279H68-E277 VanDerWaalsContact CA-OE1 3.25Å; H68-E277 WeakPolarHBondContact CA-OE1 3.34Å; H68-E277 VanDerWaalsContact CA-OE2 3.22Å; H68-E277 WeakPolarHBondContact CA-OE2 3.45Å; H68-E277 WeakPolarHBondContact CB-OE2 3.44Å; H68-E277 IonicContact CD2-OE1 2.66Å; H68-E277 PolarHBondContact CD2-OE1 3.03Å; H68-E277 IonicContact CD2-OE2 3.12Å; H68-E277 PolarHBondContact CD2-OE2 2.8Å; H68-E277 IonicContact CG-OE1 3.45Å; H68-E277 IonicContact CG-OE2 2.8Å; Y124-E277 HydrophobicContact CD2-CB 3.87Å; Y124-E277 VanDerWaalsContact CD2-OE2 3.24Å; Y124-E277 WeakPolarHBondContact CD2-OE2 3.45Å; Y124-E277 HydrophobicContact CE2-CB 3.5Å; Y124-E277 HydrophobicContact CE2-CG 4.42Å; Y124-E277 WeakPolarHBondContact CE2-OE2 3.21Å; Y124-E277 VanDerWaalsContact CZ-OE2 3.3Å; R128-E277 PolarHBondContact NH2-O 3.24Å; D275-E277 PolarHBondContact O-N 3.38Å; E277-I279 PolarHBondContact O-N 3.35Å
278K50.6Low70.3Confident151 Ų15176.4 Ų76.466%0.65741%0.412SS*.  trans-760.1157.5-78.3174.5177.7161.70113D275D275-K278 PolarHBondContact O-N 3.03Å; D275-K278 WeakPolarHBondContact OD1-CE 3.27Å; D275-K278 IonicContact OD1-NZ 2.67Å; D275-K278 PolarHBondContact OD1-NZ 3.17Å
279I48.1Very low71.9Confident119 Ų11966.3 Ų66.361%0.6136%0.362SS*.SBendtrans-55.9127.1175.5-47.5175.8000108.4E276 E277 L281E276-I279 WeakPolarHBondContact O-CD1 3.32Å; E276-I279 VanDerWaalsContact O-CG1 3.25Å; E276-I279 WeakPolarHBondContact O-CG1 3.45Å; E277-I279 PolarHBondContact O-N 3.35Å; I279-L281 PolarHBondContact O-N 2.99Å
280P53.8Low73.5Confident109 Ų10965.7 Ų65.771%0.70835%0.352SS*.  trans-51.5140.2165.5-23.233.3000109.1S282P280-S282 PolarHBondContact O-N 3.45Å; P280-S282 VanDerWaalsContact O-N 3.11Å
281L61.3Low75Confident116 Ų11663.1 Ų63.161%0.60734%0.341SS*.SBendtrans-38.1122.1-178.5-69.7170.7000110.7I279I279-L281 PolarHBondContact O-N 2.99Å
282S67.2Low76.3Confident50 Ų5061.9 Ų61.935%0.3533%0.332SS..  trans-45.7134.1-170.844.20000110.9P280 L284P280-S282 PolarHBondContact O-N 3.45Å; P280-S282 VanDerWaalsContact O-N 3.11Å; S282-L284 PolarHBondContact O-N 2.92Å
283P83.2Confident77.4Confident120 Ų12063.2 Ų63.278%0.77934%0.341SS*.  trans-58.5130.1178.525.3-33.5000108.5N285P283-N285 PolarHBondContact O-N 3.37Å
284L91.3Very high78.6Confident20 Ų2062.6 Ų62.611%0.10534%0.344CS..  trans-50.5131.4-173.3-67.7175.7000111.1S282 M286 V289 A304 L307 Q308 Y319S282-L284 PolarHBondContact O-N 2.92Å; L284-M286 HydrophobicContact CB-SD 4.21Å; L284-M286 WeakPolarHBondContact O-CG 3.35Å; L284-M286 PolarHBondContact O-N 3.44Å; L284-V289 HydrophobicContact CB-CG2 4.08Å; L284-V289 HydrophobicContact CD1-CG2 4.44Å; L284-A304 HydrophobicContact CD1-CB 4.19Å; L284-A304 WeakPolarHBondContact CD1-O 3.38Å; L284-L307 HydrophobicContact CD1-CB 3.63Å; L284-L307 HydrophobicContact CD1-CD1 4.47Å; L284-L307 HydrophobicContact CD2-CB 4.06Å; L284-Q308 HydrophobicContact CD1-CG 3.92Å; L284-Y319 WeakPolarHBondContact CA-OH 3.4Å; L284-Y319 HydrophobicContact CB-CE2 4.41Å; L284-Y319 HydrophobicContact CD2-CE1 3.87Å; L284-Y319 HydrophobicContact CD2-CE2 3.99Å
285N94Very high79.7Confident51 Ų5165 Ų6527%0.27335%0.352SS..  trans-64.2100.1175.4-176-44.2000109.3P283 Q287 I288 V289 Y319 L326P283-N285 PolarHBondContact O-N 3.37Å; N285-Q287 PolarHBondContact O-N 2.75Å; N285-Q287 VanDerWaalsContact OD1-CB 3.27Å; N285-Q287 WeakPolarHBondContact OD1-CB 3.33Å; N285-Q287 PolarHBondContact OD1-N 3.26Å; N285-I288 HydrophobicContact CB-CB 4.24Å; N285-I288 HydrophobicContact CB-CD1 3.92Å; N285-I288 HydrophobicContact CB-CG1 4.05Å; N285-I288 PolarHBondContact O-N 2.81Å; N285-I288 PolarHBondContact OD1-N 3.34Å; N285-I288 VanDerWaalsContact OD1-N 3.16Å; N285-V289 WeakPolarHBondContact O-CG2 3.38Å; N285-V289 PolarHBondContact O-N 2.94Å; N285-Y319 HydrophobicContact CB-CE2 4.48Å; N285-Y319 PolarHBondContact N-OH 2.88Å; N285-L326 VanDerWaalsContact ND2-CD2 3.27Å; N285-L326 WeakPolarHBondContact ND2-CD2 3.41Å
286M94.8Very high81.3Confident85 Ų8562.1 Ų62.142%0.41934%0.337SS..Hα-helixtrans-69.6-5.5-173.2-59.9-52.9-6000114.1L284 V289 A290 K300 A304L284-M286 HydrophobicContact CB-SD 4.21Å; L284-M286 WeakPolarHBondContact O-CG 3.35Å; L284-M286 PolarHBondContact O-N 3.44Å; M286-V289 HydrophobicContact CE-CB 4.22Å; M286-V289 HydrophobicContact CE-CG1 4.13Å; M286-V289 HydrophobicContact CE-CG2 4.43Å; M286-V289 HydrophobicContact SD-CB 4.49Å; M286-V289 HydrophobicContact SD-CG2 4.15Å; M286-A290 WeakPolarHBondContact O-CB 3.16Å; M286-A290 PolarHBondContact O-N 3.1Å; M286-K300 HydrophobicContact CE-CD 4.38Å; M286-K300 VanDerWaalsContact CE-CE 3.47Å; M286-K300 HydrophobicContact CE-CG 4.17Å; M286-K300 VanDerWaalsContact O-CE 3.31Å; M286-K300 WeakPolarHBondContact O-CE 3.37Å; M286-K300 PolarHBondContact O-NZ 3.41Å; M286-A304 HydrophobicContact CE-CB 4.21Å
287Q95.3Very high83.1Confident106 Ų10667 Ų6750%0.49535%0.351SS..Hα-helixtrans-81.9-44.6168.2-166.3-178.9-49.400110.5N285 A290 E291 F332N285-Q287 PolarHBondContact O-N 2.75Å; N285-Q287 VanDerWaalsContact OD1-CB 3.27Å; N285-Q287 WeakPolarHBondContact OD1-CB 3.33Å; N285-Q287 PolarHBondContact OD1-N 3.26Å; Q287-A290 WeakPolarHBondContact O-CB 3.32Å; Q287-A290 PolarHBondContact O-N 3.36Å; Q287-E291 PolarHBondContact O-N 3.24Å; Q287-F332 HydrophobicContact CB-CE2 4Å; Q287-F332 HydrophobicContact CB-CZ 4.39Å; Q287-F332 HydrophobicContact CG-CD2 4.25Å; Q287-F332 HydrophobicContact CG-CE1 4.43Å; Q287-F332 HydrophobicContact CG-CE2 3.56Å; Q287-F332 HydrophobicContact CG-CZ 3.68Å; Q287-F332 VanDerWaalsContact NE2-CE2 3.3Å; Q287-F332 VanDerWaalsContact NE2-CG 3.31Å
288I96.8Very high85Confident0 Ų066.1 Ų66.10%035%0.347CS..Hα-helixtrans-61.4-46.6171.7-61.6178.5000110.1N285 A290 E291 I292 Y319 M322 E323 L326 F332N285-I288 HydrophobicContact CB-CB 4.24Å; N285-I288 HydrophobicContact CB-CD1 3.92Å; N285-I288 HydrophobicContact CB-CG1 4.05Å; N285-I288 PolarHBondContact O-N 2.81Å; N285-I288 PolarHBondContact OD1-N 3.34Å; N285-I288 VanDerWaalsContact OD1-N 3.16Å; I288-A290 VanDerWaalsContact C-N 3.25Å; I288-A290 PolarHBondContact O-N 3.07Å; I288-E291 PolarHBondContact O-N 2.89Å; I288-I292 HydrophobicContact CG2-CD1 3.78Å; I288-I292 HydrophobicContact CG2-CG1 4.38Å; I288-I292 WeakPolarHBondContact O-CG1 3.26Å; I288-I292 PolarHBondContact O-N 2.85Å; I288-Y319 HydrophobicContact CB-CD2 4.15Å; I288-Y319 HydrophobicContact CB-CE2 4.01Å; I288-Y319 HydrophobicContact CG2-CD2 3.47Å; I288-Y319 VanDerWaalsContact CG2-CD2 3.47Å; I288-Y319 HydrophobicContact CG2-CE2 3.84Å; I288-Y319 HydrophobicContact CG2-CG 4.24Å; I288-M322 HydrophobicContact CD1-CB 4.03Å; I288-M322 HydrophobicContact CG1-CB 4.32Å; I288-M322 HydrophobicContact CG2-CB 3.8Å; I288-M322 HydrophobicContact CG2-CE 4Å; I288-M322 HydrophobicContact CG2-SD 4.01Å; I288-E323 HydrophobicContact CD1-CB 3.98Å; I288-L326 HydrophobicContact CD1-CD2 4.25Å; I288-F332 HydrophobicContact CG1-CE2 3.77Å
289V96.9Very high87.1Confident0 Ų063.1 Ų63.10%034%0.342CS..Hα-helixtrans-57.7-39.3175-176.90000111.1L284 N285 M286 T293 K300 L303 A304 L307 Y319L284-V289 HydrophobicContact CB-CG2 4.08Å; L284-V289 HydrophobicContact CD1-CG2 4.44Å; N285-V289 WeakPolarHBondContact O-CG2 3.38Å; N285-V289 PolarHBondContact O-N 2.94Å; M286-V289 HydrophobicContact CE-CB 4.22Å; M286-V289 HydrophobicContact CE-CG1 4.13Å; M286-V289 HydrophobicContact CE-CG2 4.43Å; M286-V289 HydrophobicContact SD-CB 4.49Å; M286-V289 HydrophobicContact SD-CG2 4.15Å; V289-T293 VanDerWaalsContact O-CB 3.29Å; V289-T293 WeakPolarHBondContact O-CB 3.47Å; V289-T293 PolarHBondContact O-N 3.16Å; V289-T293 PolarHBondContact O-OG1 3.42Å; V289-K300 HydrophobicContact CG1-CG 4.01Å; V289-L303 HydrophobicContact CG1-CB 4.3Å; V289-L303 HydrophobicContact CG1-CD2 3.87Å; V289-L303 HydrophobicContact CG1-CG 4.09Å; V289-L303 WeakPolarHBondContact O-CD2 3.2Å; V289-A304 HydrophobicContact CG1-CB 4.33Å; V289-L307 HydrophobicContact CG2-CD1 3.99Å; V289-Y319 HydrophobicContact CG2-CD2 4.36Å; V289-Y319 HydrophobicContact CG2-CE2 4.05Å
290A96.4Very high89.3Confident36 Ų3661.5 Ų61.530%0.29833%0.331SS..Hα-helixtrans-67.2-40.4177.800000113M286 Q287 I288 A294M286-A290 WeakPolarHBondContact O-CB 3.16Å; M286-A290 PolarHBondContact O-N 3.1Å; Q287-A290 WeakPolarHBondContact O-CB 3.32Å; Q287-A290 PolarHBondContact O-N 3.36Å; I288-A290 VanDerWaalsContact C-N 3.25Å; I288-A290 PolarHBondContact O-N 3.07Å; A290-A294 WeakPolarHBondContact O-CB 3.4Å; A290-A294 PolarHBondContact O-N 3.06Å
291E97Very high91.3Very high12 Ų1262.2 Ų62.26%0.05633%0.333CS..Hα-helixtrans-65.4-45.5176.5-176.866.3-159.500111.3Q287 I288 A294 Y295 M322 F332 R334 L335Q287-E291 PolarHBondContact O-N 3.24Å; I288-E291 PolarHBondContact O-N 2.89Å; E291-A294 PolarHBondContact O-N 3.18Å; E291-Y295 PolarHBondContact O-N 3.22Å; E291-M322 HydrophobicContact CB-CE 4.04Å; E291-M322 HydrophobicContact CG-CE 3.78Å; E291-F332 HydrophobicContact CB-CE1 4.12Å; E291-F332 HydrophobicContact CB-CZ 3.86Å; E291-F332 HydrophobicContact CG-CE1 4.19Å; E291-F332 HydrophobicContact CG-CZ 4.35Å; E291-R334 WeakPolarHBondContact OE1-CA 3.4Å; E291-R334 VanDerWaalsContact OE2-CD 3.3Å; E291-R334 WeakPolarHBondContact OE2-CD 3.41Å; E291-R334 IonicContact OE2-CZ 2.81Å; E291-R334 IonicContact OE2-NE 3.48Å; E291-R334 IonicContact OE2-NH1 3.59Å; E291-R334 PolarHBondContact OE2-NH1 3.4Å; E291-L335 HydrophobicContact CG-CB 4.46Å; E291-L335 HydrophobicContact CG-CD1 4.23Å; E291-L335 HydrophobicContact CG-CG 4.01Å; E291-L335 PolarHBondContact OE1-N 3.36Å
292I96.2Very high92.9Very high2 Ų258.9 Ų58.91%0.0132%0.315CS..Hα-helixtrans-64.3-43.5175.9-63.2171.5000110.7I288 A294 Y295 T296 L303 I315 T318 Y319 M322 L335I288-I292 HydrophobicContact CG2-CD1 3.78Å; I288-I292 HydrophobicContact CG2-CG1 4.38Å; I288-I292 WeakPolarHBondContact O-CG1 3.26Å; I288-I292 PolarHBondContact O-N 2.85Å; I292-A294 VanDerWaalsContact C-N 3.27Å; I292-A294 PolarHBondContact O-N 3.14Å; I292-Y295 PolarHBondContact O-N 3.34Å; I292-T296 HydrophobicContact CG2-CG2 3.91Å; I292-T296 PolarHBondContact O-N 3.1Å; I292-T296 PolarHBondContact O-OG1 3.26Å; I292-L303 HydrophobicContact CB-CD2 3.77Å; I292-L303 HydrophobicContact CG2-CD1 4.12Å; I292-L303 HydrophobicContact CG2-CD2 3.57Å; I292-L303 HydrophobicContact CG2-CG 4.47Å; I292-I315 HydrophobicContact CG2-CG2 4.27Å; I292-T318 HydrophobicContact CD1-CG2 3.97Å; I292-T318 HydrophobicContact CG1-CG2 4.02Å; I292-Y319 HydrophobicContact CD1-CD2 4.29Å; I292-M322 HydrophobicContact CD1-SD 4.13Å; I292-M322 HydrophobicContact CG1-SD 3.91Å; I292-L335 HydrophobicContact CG1-CD1 3.96Å
293T96.2Very high94.2Very high28 Ų2856.5 Ų56.517%0.17230%0.298CS..Hα-helixtrans-55.7-42.2172-86.40000111.7V289 Y295 R297 I298 K300 L303V289-T293 VanDerWaalsContact O-CB 3.29Å; V289-T293 WeakPolarHBondContact O-CB 3.47Å; V289-T293 PolarHBondContact O-N 3.16Å; V289-T293 PolarHBondContact O-OG1 3.42Å; T293-Y295 PolarHBondContact O-N 2.9Å; T293-R297 WeakPolarHBondContact O-CA 3.43Å; T293-R297 PolarHBondContact O-N 3.37Å; T293-I298 WeakPolarHBondContact CB-O 3.23Å; T293-I298 VanDerWaalsContact CG2-O 3.29Å; T293-I298 WeakPolarHBondContact CG2-O 3.47Å; T293-I298 PolarHBondContact OG1-O 2.69Å; T293-K300 HydrophobicContact CG2-CB 4.34Å; T293-K300 VanDerWaalsContact OG1-CA 3.31Å; T293-K300 WeakPolarHBondContact OG1-CA 3.28Å; T293-K300 PolarHBondContact OG1-N 3.27Å; T293-L303 VanDerWaalsContact OG1-CD2 3.3Å; T293-L303 WeakPolarHBondContact OG1-CD2 3.43Å
294A94.4Very high94.8Very high46 Ų4651.3 Ų51.338%0.3827%0.265SS..Hα-helixtrans-73.8-15.5179.900000113.3A290 E291 I292 R337A290-A294 WeakPolarHBondContact O-CB 3.4Å; A290-A294 PolarHBondContact O-N 3.06Å; E291-A294 PolarHBondContact O-N 3.18Å; I292-A294 VanDerWaalsContact C-N 3.27Å; I292-A294 PolarHBondContact O-N 3.14Å; A294-R337 VanDerWaalsContact CB-NH2 3.29Å; A294-R337 PolarHBondContact O-NE 3.35Å; A294-R337 PolarHBondContact O-NH2 2.76Å
295Y93Very high94.9Very high70 Ų7055 Ų5528%0.27528%0.278SS..Hα-helixtrans-89.2-52.1171.6-178-92.1000112.2V34 E291 I292 T293 L335 R337V34-Y295 HydrophobicContact CG1-CE1 3.95Å; V34-Y295 HydrophobicContact CG1-CE2 4.28Å; V34-Y295 VanDerWaalsContact CG1-OH 3.22Å; V34-Y295 WeakPolarHBondContact CG1-OH 3.4Å; E291-Y295 PolarHBondContact O-N 3.22Å; I292-Y295 PolarHBondContact O-N 3.34Å; T293-Y295 PolarHBondContact O-N 2.9Å; Y295-L335 HydrophobicContact CD1-CD1 4.4Å; Y295-L335 HydrophobicContact CD2-CB 3.74Å; Y295-L335 HydrophobicContact CD2-CD1 4.41Å; Y295-L335 HydrophobicContact CE2-CB 4.48Å; Y295-L335 HydrophobicContact CG-CB 4.09Å; Y295-L335 HydrophobicContact CG-CD1 3.92Å; Y295-R337 HydrophobicContact CD2-CG 4.29Å
296T92.8Very high94.9Very high20 Ų2053.4 Ų53.412%0.12327%0.268CS..Hα-helixtrans-82.2-17.5-175.163.20000114.3I292 I298I292-T296 HydrophobicContact CG2-CG2 3.91Å; I292-T296 PolarHBondContact O-N 3.1Å; I292-T296 PolarHBondContact O-OG1 3.26Å; T296-I298 PolarHBondContact O-N 3.39Å; T296-I298 WeakPolarHBondContact OG1-CB 3.36Å; T296-I298 WeakPolarHBondContact OG1-CG1 3.47Å; T296-I298 PolarHBondContact OG1-N 2.82Å
297R93Very high94.9Very high225 Ų22549.4 Ų49.485%0.84925%0.249SC*.  trans63.59.6-169.2-49.2-177.9-176.7-173.52.1114.8T293T293-R297 WeakPolarHBondContact O-CA 3.43Å; T293-R297 PolarHBondContact O-N 3.37Å
298I93Very high94.8Very high22 Ų2250.8 Ų50.811%0.11326%0.255CS..  trans-72.1127173.1-60.3171.1000108.7T293 T296 K300 E302 L303 M306 I315 L542T293-I298 WeakPolarHBondContact CB-O 3.23Å; T293-I298 VanDerWaalsContact CG2-O 3.29Å; T293-I298 WeakPolarHBondContact CG2-O 3.47Å; T293-I298 PolarHBondContact OG1-O 2.69Å; T296-I298 PolarHBondContact O-N 3.39Å; T296-I298 WeakPolarHBondContact OG1-CB 3.36Å; T296-I298 WeakPolarHBondContact OG1-CG1 3.47Å; T296-I298 PolarHBondContact OG1-N 2.82Å; I298-K300 PolarHBondContact O-N 2.76Å; I298-E302 HydrophobicContact CG2-CB 4.27Å; I298-E302 HydrophobicContact CG2-CG 4.13Å; I298-L303 HydrophobicContact CB-CB 4.43Å; I298-L303 HydrophobicContact CG2-CB 3.93Å; I298-M306 HydrophobicContact CD1-CE 4.03Å; I298-M306 HydrophobicContact CD1-SD 4.44Å; I298-M306 HydrophobicContact CG2-SD 3.92Å; I298-I315 HydrophobicContact CD1-CD1 3.81Å; I298-L542 HydrophobicContact CD1-CD1 4.37Å
299P95.5Very high94.5Very high88 Ų8857.3 Ų57.357%0.57128%0.284SS*.  trans-53.3137.9-179.9-27.935.4000113.1V301 E302 L303P299-V301 VanDerWaalsContact C-N 3.27Å; P299-V301 PolarHBondContact O-N 3.37Å; P299-V301 VanDerWaalsContact O-N 3.11Å; P299-E302 HydrophobicContact CB-CB 4.45Å; P299-E302 PolarHBondContact O-N 2.85Å; P299-L303 PolarHBondContact O-N 3.49Å
300K94.2Very high94.2Very high85 Ų8558.7 Ų58.737%0.3729%0.289SS..Hα-helixtrans-52.6-39-171.3-170.4174.7-177.5171.60114.5M286 V289 T293 I298 A304M286-K300 HydrophobicContact CE-CD 4.38Å; M286-K300 VanDerWaalsContact CE-CE 3.47Å; M286-K300 HydrophobicContact CE-CG 4.17Å; M286-K300 VanDerWaalsContact O-CE 3.31Å; M286-K300 WeakPolarHBondContact O-CE 3.37Å; M286-K300 PolarHBondContact O-NZ 3.41Å; V289-K300 HydrophobicContact CG1-CG 4.01Å; T293-K300 HydrophobicContact CG2-CB 4.34Å; T293-K300 VanDerWaalsContact OG1-CA 3.31Å; T293-K300 WeakPolarHBondContact OG1-CA 3.28Å; T293-K300 PolarHBondContact OG1-N 3.27Å; I298-K300 PolarHBondContact O-N 2.76Å; K300-A304 WeakPolarHBondContact O-CB 3.37Å; K300-A304 PolarHBondContact O-N 2.86Å
301V94.9Very high94Very high125 Ų12560 Ų6076%0.75830%0.295SS*.Hα-helixtrans-68.3-43.5178.3179.80000111.2P299 A304 R305P299-V301 VanDerWaalsContact C-N 3.27Å; P299-V301 PolarHBondContact O-N 3.37Å; P299-V301 VanDerWaalsContact O-N 3.11Å; V301-A304 PolarHBondContact O-N 2.98Å; V301-R305 PolarHBondContact O-N 3.4Å
302E94.6Very high94Very high46 Ų4660.4 Ų60.422%0.21530%0.295CS..Hα-helixtrans-69.3-43.7179.7178.852.5-157.600111.1I298 P299 A304 R305 M306 L535I298-E302 HydrophobicContact CG2-CB 4.27Å; I298-E302 HydrophobicContact CG2-CG 4.13Å; P299-E302 HydrophobicContact CB-CB 4.45Å; P299-E302 PolarHBondContact O-N 2.85Å; E302-A304 VanDerWaalsContact C-N 3.32Å; E302-A304 PolarHBondContact O-N 3.32Å; E302-R305 WeakPolarHBondContact O-CB 3.49Å; E302-R305 PolarHBondContact O-N 2.79Å; E302-R305 VanDerWaalsContact O-N 3.13Å; E302-R305 IonicContact OE1-CZ 3.47Å; E302-R305 IonicContact OE1-NE 2.77Å; E302-R305 PolarHBondContact OE1-NE 2.92Å; E302-R305 IonicContact OE1-NH2 3.38Å; E302-R305 PolarHBondContact OE1-NH2 2.84Å; E302-R305 IonicContact OE2-CZ 3.39Å; E302-R305 IonicContact OE2-NE 2.69Å; E302-R305 PolarHBondContact OE2-NE 3.47Å; E302-R305 IonicContact OE2-NH2 2.82Å; E302-R305 PolarHBondContact OE2-NH2 2.97Å; E302-M306 HydrophobicContact CG-SD 3.95Å; E302-M306 WeakPolarHBondContact O-CG 3.39Å; E302-M306 PolarHBondContact O-N 3.22Å; E302-L535 HydrophobicContact CG-CD2 4.43Å; E302-L535 WeakPolarHBondContact OE1-CD2 3.45Å
303L95.3Very high94Very high0 Ų061.7 Ų61.70%030%0.303CS..Hα-helixtrans-59.6-41.9174.6-177.864.4000112.1V289 I292 T293 I298 P299 M306 L307 I315V289-L303 HydrophobicContact CG1-CB 4.3Å; V289-L303 HydrophobicContact CG1-CD2 3.87Å; V289-L303 HydrophobicContact CG1-CG 4.09Å; V289-L303 WeakPolarHBondContact O-CD2 3.2Å; I292-L303 HydrophobicContact CB-CD2 3.77Å; I292-L303 HydrophobicContact CG2-CD1 4.12Å; I292-L303 HydrophobicContact CG2-CD2 3.57Å; I292-L303 HydrophobicContact CG2-CG 4.47Å; T293-L303 VanDerWaalsContact OG1-CD2 3.3Å; T293-L303 WeakPolarHBondContact OG1-CD2 3.43Å; I298-L303 HydrophobicContact CB-CB 4.43Å; I298-L303 HydrophobicContact CG2-CB 3.93Å; P299-L303 PolarHBondContact O-N 3.49Å; L303-M306 PolarHBondContact O-N 3.45Å; L303-L307 HydrophobicContact CD1-CD1 4.24Å; L303-L307 HydrophobicContact CD1-CG 4.34Å; L303-L307 HydrophobicContact CG-CD1 3.99Å; L303-L307 HydrophobicContact CG-CG 4.5Å; L303-L307 WeakPolarHBondContact O-CB 3.36Å; L303-L307 WeakPolarHBondContact O-CG 3.49Å; L303-L307 PolarHBondContact O-N 3.15Å; L303-I315 HydrophobicContact CD1-CG2 3.53Å
304A95.4Very high94Very high10 Ų1062 Ų628%0.08330%0.301CS..Hα-helixtrans-62-43.3174.700000111.8L284 M286 V289 K300 V301 E302 M306 L307 Q308L284-A304 HydrophobicContact CD1-CB 4.19Å; L284-A304 WeakPolarHBondContact CD1-O 3.38Å; M286-A304 HydrophobicContact CE-CB 4.21Å; V289-A304 HydrophobicContact CG1-CB 4.33Å; K300-A304 WeakPolarHBondContact O-CB 3.37Å; K300-A304 PolarHBondContact O-N 2.86Å; V301-A304 PolarHBondContact O-N 2.98Å; E302-A304 VanDerWaalsContact C-N 3.32Å; E302-A304 PolarHBondContact O-N 3.32Å; A304-M306 VanDerWaalsContact C-N 3.33Å; A304-M306 PolarHBondContact O-N 3.13Å; A304-L307 PolarHBondContact O-N 2.96Å; A304-Q308 WeakPolarHBondContact O-CB 3.43Å; A304-Q308 VanDerWaalsContact O-CG 3.24Å; A304-Q308 WeakPolarHBondContact O-CG 3.22Å; A304-Q308 PolarHBondContact O-N 2.85Å
305R93.9Very high94.1Very high99 Ų9960.5 Ų60.537%0.37429%0.286SS..Hα-helixtrans-61.7-38.6175.5-169.2-169.873.897.92.4112.4V301 E302 L535V301-R305 PolarHBondContact O-N 3.4Å; E302-R305 WeakPolarHBondContact O-CB 3.49Å; E302-R305 PolarHBondContact O-N 2.79Å; E302-R305 VanDerWaalsContact O-N 3.13Å; E302-R305 IonicContact OE1-CZ 3.47Å; E302-R305 IonicContact OE1-NE 2.77Å; E302-R305 PolarHBondContact OE1-NE 2.92Å; E302-R305 IonicContact OE1-NH2 3.38Å; E302-R305 PolarHBondContact OE1-NH2 2.84Å; E302-R305 IonicContact OE2-CZ 3.39Å; E302-R305 IonicContact OE2-NE 2.69Å; E302-R305 PolarHBondContact OE2-NE 3.47Å; E302-R305 IonicContact OE2-NH2 2.82Å; E302-R305 PolarHBondContact OE2-NH2 2.97Å; R305-L535 VanDerWaalsContact NH2-CD1 3.34Å
306M94.2Very high94.2Very high16 Ų1657.2 Ų57.28%0.07927%0.273CS..Hα-helixtrans-66.4-48.6175.9-67162.860.900111.4I298 E302 L303 A304 Q308 K309 I315 Y539I298-M306 HydrophobicContact CD1-CE 4.03Å; I298-M306 HydrophobicContact CD1-SD 4.44Å; I298-M306 HydrophobicContact CG2-SD 3.92Å; E302-M306 HydrophobicContact CG-SD 3.95Å; E302-M306 WeakPolarHBondContact O-CG 3.39Å; E302-M306 PolarHBondContact O-N 3.22Å; L303-M306 PolarHBondContact O-N 3.45Å; A304-M306 VanDerWaalsContact C-N 3.33Å; A304-M306 PolarHBondContact O-N 3.13Å; M306-Q308 PolarHBondContact O-N 2.91Å; M306-K309 WeakPolarHBondContact O-CB 3.34Å; M306-K309 PolarHBondContact O-N 2.87Å; M306-I315 HydrophobicContact CE-CD1 4.06Å; M306-Y539 HydrophobicContact CE-CE2 3.44Å; M306-Y539 VanDerWaalsContact CE-CE2 3.44Å; M306-Y539 VanDerWaalsContact CE-CZ 3.48Å; M306-Y539 WeakPolarHBondContact CE-OH 3.46Å
307L94.5Very high94.5Very high1 Ų156.2 Ų56.21%0.00527%0.267CS..Hα-helixtrans-65.4-34.8179.1-71.8170000112.7L284 V289 L303 A304 K309 R310 I315 M316 Y319L284-L307 HydrophobicContact CD1-CB 3.63Å; L284-L307 HydrophobicContact CD1-CD1 4.47Å; L284-L307 HydrophobicContact CD2-CB 4.06Å; V289-L307 HydrophobicContact CG2-CD1 3.99Å; L303-L307 HydrophobicContact CD1-CD1 4.24Å; L303-L307 HydrophobicContact CD1-CG 4.34Å; L303-L307 HydrophobicContact CG-CD1 3.99Å; L303-L307 HydrophobicContact CG-CG 4.5Å; L303-L307 WeakPolarHBondContact O-CB 3.36Å; L303-L307 WeakPolarHBondContact O-CG 3.49Å; L303-L307 PolarHBondContact O-N 3.15Å; A304-L307 PolarHBondContact O-N 2.96Å; L307-K309 PolarHBondContact O-N 2.85Å; L307-R310 WeakPolarHBondContact O-CG 3.45Å; L307-R310 PolarHBondContact O-N 2.84Å; L307-I315 HydrophobicContact CD2-CG2 4.16Å; L307-M316 HydrophobicContact CD2-CB 4.4Å; L307-M316 HydrophobicContact CD2-SD 3.72Å; L307-Y319 HydrophobicContact CD1-CD2 3.69Å; L307-Y319 HydrophobicContact CD1-CE2 4.42Å; L307-Y319 HydrophobicContact CD1-CG 4.08Å; L307-Y319 HydrophobicContact CD2-CD2 4.49Å; L307-Y319 HydrophobicContact CD2-CG 4.03Å
308Q91.8Very high94.7Very high135 Ų13545.9 Ų45.963%0.63123%0.229SC*.Hα-helixtrans-58-31.2174.7-81.5169.9100113.2L284 A304 M306 R310L284-Q308 HydrophobicContact CD1-CG 3.92Å; A304-Q308 WeakPolarHBondContact O-CB 3.43Å; A304-Q308 VanDerWaalsContact O-CG 3.24Å; A304-Q308 WeakPolarHBondContact O-CG 3.22Å; A304-Q308 PolarHBondContact O-N 2.85Å; M306-Q308 PolarHBondContact O-N 2.91Å; Q308-R310 PolarHBondContact O-N 3.05Å
309K91.1Very high94.9Very high138 Ų13844.8 Ų44.860%0.622%0.224SC*.THydrogen-bonded Turntrans-70.6-12.4175.3-65.4-175.8174.5-168.90113.6M306 L307M306-K309 WeakPolarHBondContact O-CB 3.34Å; M306-K309 PolarHBondContact O-N 2.87Å; L307-K309 PolarHBondContact O-N 2.85Å
310R90.7Very high94.9Very high29 Ų2941.2 Ų41.211%0.10920%0.199CC..  trans41.165.6-172.3-59.5-156.7171-143.9-2.1112.8L307 Q308 Y312 M316L307-R310 WeakPolarHBondContact O-CG 3.45Å; L307-R310 PolarHBondContact O-N 2.84Å; Q308-R310 PolarHBondContact O-N 3.05Å; R310-Y312 HydrophobicContact CB-CE2 4.09Å; R310-Y312 WeakPolarHBondContact O-CD2 3.34Å; R310-Y312 WeakPolarHBondContact O-CE2 3.5Å; R310-Y312 PolarHBondContact O-N 3.28Å; R310-M316 HydrophobicContact CB-CE 4.03Å; R310-M316 HydrophobicContact CB-SD 4.37Å; R310-M316 HydrophobicContact CG-CE 3.57Å; R310-M316 HydrophobicContact CG-SD 4.24Å
311P93.4Very high95Very high64 Ų6437.3 Ų37.342%0.41618%0.182SC..  trans-71.5-11.6-17529.6-36.7000114.8D313 M316P311-D313 HydrophobicContact CB-CB 4.39Å; P311-D313 HydrophobicContact CG-CB 4.29Å; P311-D313 PolarHBondContact O-N 3.38Å; P311-M316 HydrophobicContact CG-CB 4.22Å
312Y95.4Very high95.1Very high19 Ų1931.5 Ų31.58%0.07515%0.147CC..  trans53.238.6-171-63-92000112.9K64 L74 Q76 V77 R310 M320K64-Y312 WeakPolarHBondContact CA-OH 3.41Å; K64-Y312 HydrophobicContact CB-CE2 3.9Å; K64-Y312 HydrophobicContact CD-CD2 4.06Å; K64-Y312 HydrophobicContact CD-CE2 4.12Å; K64-Y312 HydrophobicContact CG-CD2 3.74Å; K64-Y312 HydrophobicContact CG-CE1 4.41Å; K64-Y312 HydrophobicContact CG-CE2 3.52Å; K64-Y312 HydrophobicContact CG-CG 4.31Å; K64-Y312 PolarHBondContact O-OH 3.05Å; L74-Y312 HydrophobicContact CD2-CD1 4.28Å; L74-Y312 HydrophobicContact CD2-CE1 4.49Å; L74-Y312 HydrophobicContact CG-CD1 4.13Å; L74-Y312 HydrophobicContact CG-CE1 4.42Å; L74-Y312 WeakPolarHBondContact O-CD1 3.4Å; L74-Y312 VanDerWaalsContact O-CE1 3.3Å; L74-Y312 WeakPolarHBondContact O-CE1 3.4Å; Q76-Y312 WeakPolarHBondContact CA-O 3.35Å; Q76-Y312 VanDerWaalsContact CG-O 3.24Å; Q76-Y312 WeakPolarHBondContact CG-O 3.46Å; V77-Y312 PolarHBondContact N-O 3.42Å; R310-Y312 HydrophobicContact CB-CE2 4.09Å; R310-Y312 WeakPolarHBondContact O-CD2 3.34Å; R310-Y312 WeakPolarHBondContact O-CE2 3.5Å; R310-Y312 PolarHBondContact O-N 3.28Å; Y312-M320 HydrophobicContact CD1-SD 4.43Å; Y312-M320 HydrophobicContact CE1-CE 4.21Å; Y312-M320 HydrophobicContact CE1-SD 4.15Å
313D96.2Very high95.1Very high30 Ų3030.4 Ų30.416%0.1614%0.142CC..SBendtrans-93.5-174.1171.574.9-6.9000111.4P311 I315 M316 A317 Y539P311-D313 HydrophobicContact CB-CB 4.39Å; P311-D313 HydrophobicContact CG-CB 4.29Å; P311-D313 PolarHBondContact O-N 3.38Å; D313-I315 VanDerWaalsContact C-N 3.29Å; D313-I315 PolarHBondContact O-N 3.07Å; D313-I315 PolarHBondContact OD1-N 3.42Å; D313-I315 VanDerWaalsContact OD1-N 3.11Å; D313-M316 PolarHBondContact O-N 2.99Å; D313-M316 WeakPolarHBondContact OD1-CB 2.93Å; D313-M316 PolarHBondContact OD1-N 2.86Å; D313-A317 WeakPolarHBondContact O-CB 3.49Å; D313-A317 PolarHBondContact O-N 3.25Å; D313-Y539 WeakPolarHBondContact OD2-CE1 3.45Å; D313-Y539 VanDerWaalsContact OD2-CZ 3.23Å; D313-Y539 PolarHBondContact OD2-OH 2.96Å
314Y96.3Very high94.9Very high35 Ų3530.6 Ų30.614%0.13714%0.143CC..Hα-helixtrans-65.8-30-178.2-170.3-106.2000113.7L12 Y13 H32 V34 T318L12-Y314 HydrophobicContact CB-CD2 3.89Å; L12-Y314 HydrophobicContact CB-CE2 3.48Å; L12-Y314 VanDerWaalsContact CB-CE2 3.48Å; L12-Y314 HydrophobicContact CD1-CD2 4.05Å; L12-Y314 HydrophobicContact CD1-CE2 4.46Å; L12-Y314 HydrophobicContact CD1-CG 4.33Å; L12-Y314 HydrophobicContact CD2-CD1 3.99Å; L12-Y314 HydrophobicContact CD2-CD2 4.05Å; L12-Y314 HydrophobicContact CD2-CE1 3.86Å; L12-Y314 HydrophobicContact CD2-CE2 3.92Å; L12-Y314 HydrophobicContact CD2-CG 4.08Å; L12-Y314 HydrophobicContact CG-CD2 4.21Å; L12-Y314 HydrophobicContact CG-CE2 4.13Å; L12-Y314 WeakPolarHBondContact O-CE2 3.29Å; L12-Y314 PolarHBondContact O-OH 3.16Å; Y13-Y314 AromaticContact CE2-CD2 3.97Å; Y13-Y314 HydrophobicContact CE2-CD2 3.97Å; Y13-Y314 AromaticContact CE2-CE2 3.88Å; Y13-Y314 HydrophobicContact CE2-CE2 3.88Å; Y13-Y314 AromaticContact CZ-CE2 3.92Å; H32-Y314 AromaticContact CD2-CE2 3.41Å; H32-Y314 VanDerWaalsContact CD2-CE2 3.41Å; H32-Y314 WeakPolarHBondContact CD2-CE2 3.25Å; H32-Y314 AromaticContact CD2-CZ 3.75Å; H32-Y314 AromaticContact NE2-CD2 3.89Å; H32-Y314 AromaticContact NE2-CE1 3.98Å; H32-Y314 AromaticContact NE2-CE2 3.12Å; H32-Y314 WeakPolarHBondContact NE2-CE2 3.37Å; H32-Y314 AromaticContact NE2-CZ 3.19Å; H32-Y314 PolarHBondContact NE2-OH 3.1Å; V34-Y314 HydrophobicContact CG2-CE1 4.46Å; Y314-T318 WeakPolarHBondContact O-CB 3.4Å; Y314-T318 PolarHBondContact O-N 3.07Å; Y314-T318 PolarHBondContact O-OG1 3.5Å
315I96.3Very high94.7Very high14 Ų1430.6 Ų30.67%0.07214%0.142CC..Hα-helixtrans-75-42.8179.7-62.1-176.6000109.6I292 I298 L303 M306 L307 D313 T318 Y319 Y539I292-I315 HydrophobicContact CG2-CG2 4.27Å; I298-I315 HydrophobicContact CD1-CD1 3.81Å; L303-I315 HydrophobicContact CD1-CG2 3.53Å; M306-I315 HydrophobicContact CE-CD1 4.06Å; L307-I315 HydrophobicContact CD2-CG2 4.16Å; D313-I315 VanDerWaalsContact C-N 3.29Å; D313-I315 PolarHBondContact O-N 3.07Å; D313-I315 PolarHBondContact OD1-N 3.42Å; D313-I315 VanDerWaalsContact OD1-N 3.11Å; I315-T318 WeakPolarHBondContact O-CB 3.41Å; I315-T318 PolarHBondContact O-N 2.98Å; I315-Y319 PolarHBondContact O-N 3.15Å; I315-Y539 HydrophobicContact CD1-CD1 4.49Å; I315-Y539 HydrophobicContact CD1-CE1 3.7Å; I315-Y539 HydrophobicContact CG1-CE1 4.24Å
316M96.7Very high94.6Very high0 Ų027.7 Ų27.70%013%0.134CC..Hα-helixtrans-61.9-44.2171.5-169.768.5-164.800111.3L307 R310 P311 D313 T318 Y319 M320L307-M316 HydrophobicContact CD2-CB 4.4Å; L307-M316 HydrophobicContact CD2-SD 3.72Å; R310-M316 HydrophobicContact CB-CE 4.03Å; R310-M316 HydrophobicContact CB-SD 4.37Å; R310-M316 HydrophobicContact CG-CE 3.57Å; R310-M316 HydrophobicContact CG-SD 4.24Å; P311-M316 HydrophobicContact CG-CB 4.22Å; D313-M316 PolarHBondContact O-N 2.99Å; D313-M316 WeakPolarHBondContact OD1-CB 2.93Å; D313-M316 PolarHBondContact OD1-N 2.86Å; M316-T318 VanDerWaalsContact C-N 3.33Å; M316-T318 PolarHBondContact O-N 3.26Å; M316-Y319 HydrophobicContact CE-CD1 4.39Å; M316-Y319 WeakPolarHBondContact O-CB 3.24Å; M316-Y319 PolarHBondContact O-N 2.72Å; M316-M320 HydrophobicContact CE-CG 3.68Å; M316-M320 HydrophobicContact CE-SD 3.66Å; M316-M320 HydrophobicContact CG-CG 4.32Å; M316-M320 HydrophobicContact CG-SD 3.87Å; M316-M320 WeakPolarHBondContact O-CG 3.5Å; M316-M320 PolarHBondContact O-N 3.09Å
317A97.3Very high94.3Very high0 Ų032.8 Ų32.80%016%0.158CC..Hα-helixtrans-58.9-44.117500000111.9Y75 Q76 D313 Y319 M320 I321Y75-A317 WeakPolarHBondContact O-CA 3.34Å; Y75-A317 WeakPolarHBondContact O-CB 3.13Å; Q76-A317 HydrophobicContact CB-CB 3.97Å; Q76-A317 HydrophobicContact CG-CB 4.46Å; D313-A317 WeakPolarHBondContact O-CB 3.49Å; D313-A317 PolarHBondContact O-N 3.25Å; A317-Y319 VanDerWaalsContact C-N 3.35Å; A317-Y319 PolarHBondContact O-N 3.24Å; A317-M320 PolarHBondContact O-N 3.49Å; A317-I321 WeakPolarHBondContact O-CB 3.43Å; A317-I321 WeakPolarHBondContact O-CD1 3.29Å; A317-I321 WeakPolarHBondContact O-CG1 3.49Å; A317-I321 PolarHBondContact O-N 3.16Å
318T97.7Very high93.8Very high7 Ų737.4 Ų37.44%0.04318%0.179CC..Hα-helixtrans-57.9-47.4174.3-58.80000111.2H32 V34 T35 I292 Y314 I315 M316 M322 L335H32-T318 PolarHBondContact CE1-OG1 2.96Å; H32-T318 VanDerWaalsContact CE1-OG1 3.25Å; H32-T318 PolarHBondContact NE2-OG1 3.2Å; V34-T318 HydrophobicContact CG2-CG2 3.99Å; T35-T318 HydrophobicContact CG2-CG2 4.25Å; I292-T318 HydrophobicContact CD1-CG2 3.97Å; I292-T318 HydrophobicContact CG1-CG2 4.02Å; Y314-T318 WeakPolarHBondContact O-CB 3.4Å; Y314-T318 PolarHBondContact O-N 3.07Å; Y314-T318 PolarHBondContact O-OG1 3.5Å; I315-T318 WeakPolarHBondContact O-CB 3.41Å; I315-T318 PolarHBondContact O-N 2.98Å; M316-T318 VanDerWaalsContact C-N 3.33Å; M316-T318 PolarHBondContact O-N 3.26Å; T318-M322 HydrophobicContact CG2-SD 3.99Å; T318-M322 VanDerWaalsContact O-CG 3.23Å; T318-M322 WeakPolarHBondContact O-CG 3.43Å; T318-M322 PolarHBondContact O-N 3.49Å; T318-M322 VanDerWaalsContact O-N 3.13Å; T318-L335 HydrophobicContact CG2-CD1 4.23Å; T318-L335 HydrophobicContact CG2-CD2 4.19Å
319Y97.4Very high93.5Very high0 Ų036.3 Ų36.30%017%0.174CC..Hα-helixtrans-60.2-51.3177.1175.9-85.5000111.9L284 N285 I288 V289 I292 L307 I315 M316 A317 I321 M322 E323L284-Y319 WeakPolarHBondContact CA-OH 3.4Å; L284-Y319 HydrophobicContact CB-CE2 4.41Å; L284-Y319 HydrophobicContact CD2-CE1 3.87Å; L284-Y319 HydrophobicContact CD2-CE2 3.99Å; N285-Y319 HydrophobicContact CB-CE2 4.48Å; N285-Y319 PolarHBondContact N-OH 2.88Å; I288-Y319 HydrophobicContact CB-CD2 4.15Å; I288-Y319 HydrophobicContact CB-CE2 4.01Å; I288-Y319 HydrophobicContact CG2-CD2 3.47Å; I288-Y319 VanDerWaalsContact CG2-CD2 3.47Å; I288-Y319 HydrophobicContact CG2-CE2 3.84Å; I288-Y319 HydrophobicContact CG2-CG 4.24Å; V289-Y319 HydrophobicContact CG2-CD2 4.36Å; V289-Y319 HydrophobicContact CG2-CE2 4.05Å; I292-Y319 HydrophobicContact CD1-CD2 4.29Å; L307-Y319 HydrophobicContact CD1-CD2 3.69Å; L307-Y319 HydrophobicContact CD1-CE2 4.42Å; L307-Y319 HydrophobicContact CD1-CG 4.08Å; L307-Y319 HydrophobicContact CD2-CD2 4.49Å; L307-Y319 HydrophobicContact CD2-CG 4.03Å; I315-Y319 PolarHBondContact O-N 3.15Å; M316-Y319 HydrophobicContact CE-CD1 4.39Å; M316-Y319 WeakPolarHBondContact O-CB 3.24Å; M316-Y319 PolarHBondContact O-N 2.72Å; A317-Y319 VanDerWaalsContact C-N 3.35Å; A317-Y319 PolarHBondContact O-N 3.24Å; Y319-I321 PolarHBondContact O-N 3.24Å; Y319-M322 PolarHBondContact O-N 3.19Å; Y319-E323 HydrophobicContact CE1-CB 4.27Å; Y319-E323 VanDerWaalsContact CE1-CD 3.44Å; Y319-E323 HydrophobicContact CE1-CG 4.43Å; Y319-E323 VanDerWaalsContact CE1-OE1 3.26Å; Y319-E323 WeakPolarHBondContact CE1-OE1 3.26Å; Y319-E323 VanDerWaalsContact CE1-OE2 3.32Å; Y319-E323 WeakPolarHBondContact CE1-OE2 3.46Å; Y319-E323 VanDerWaalsContact CZ-OE1 3.25Å; Y319-E323 WeakPolarHBondContact O-CB 3.49Å; Y319-E323 PolarHBondContact O-N 3Å; Y319-E323 PolarHBondContact OH-OE1 2.83Å
320M96.1Very high93.4Very high12 Ų1236.5 Ų36.56%0.05918%0.182CC..Hα-helixtrans-66-34.9-176.4-67.9176.57000113.1L74 Y75 Y312 M316 A317 E323 S324L74-M320 WeakPolarHBondContact O-CE 3.28Å; Y75-M320 HydrophobicContact CD1-CB 3.59Å; Y75-M320 HydrophobicContact CD1-CE 4.25Å; Y75-M320 HydrophobicContact CE1-CB 3.96Å; Y312-M320 HydrophobicContact CD1-SD 4.43Å; Y312-M320 HydrophobicContact CE1-CE 4.21Å; Y312-M320 HydrophobicContact CE1-SD 4.15Å; M316-M320 HydrophobicContact CE-CG 3.68Å; M316-M320 HydrophobicContact CE-SD 3.66Å; M316-M320 HydrophobicContact CG-CG 4.32Å; M316-M320 HydrophobicContact CG-SD 3.87Å; M316-M320 WeakPolarHBondContact O-CG 3.5Å; M316-M320 PolarHBondContact O-N 3.09Å; A317-M320 PolarHBondContact O-N 3.49Å; M320-E323 PolarHBondContact O-N 3.37Å; M320-S324 PolarHBondContact O-N 2.91Å; M320-S324 PolarHBondContact O-OG 2.18Å
321I96.2Very high93.3Very high3 Ų338.4 Ų38.42%0.01520%0.196CC..Hα-helixtrans-70.8-34.1175.3-68.2164.7000111.3H32 T35 Q37 V39 Y75 A317 Y319 S324 V325H32-I321 HydrophobicContact CB-CD1 4.04Å; T35-I321 HydrophobicContact CG2-CG2 4.14Å; T35-I321 WeakPolarHBondContact OG1-CG2 3.39Å; Q37-I321 HydrophobicContact CB-CG2 3.66Å; Q37-I321 HydrophobicContact CG-CG2 3.89Å; V39-I321 HydrophobicContact CG1-CD1 3.75Å; V39-I321 HydrophobicContact CG1-CG1 4.44Å; Y75-I321 HydrophobicContact CD1-CG1 3.94Å; Y75-I321 HydrophobicContact CD2-CD1 4.06Å; Y75-I321 HydrophobicContact CD2-CG1 3.71Å; Y75-I321 HydrophobicContact CE1-CG1 3.97Å; Y75-I321 HydrophobicContact CE2-CD1 4.44Å; Y75-I321 HydrophobicContact CE2-CG1 3.73Å; Y75-I321 HydrophobicContact CG-CD1 4.26Å; Y75-I321 HydrophobicContact CG-CG1 3.81Å; A317-I321 WeakPolarHBondContact O-CB 3.43Å; A317-I321 WeakPolarHBondContact O-CD1 3.29Å; A317-I321 WeakPolarHBondContact O-CG1 3.49Å; A317-I321 PolarHBondContact O-N 3.16Å; Y319-I321 PolarHBondContact O-N 3.24Å; I321-S324 PolarHBondContact O-OG 3.35Å; I321-V325 WeakPolarHBondContact O-CG2 3.48Å; I321-V325 PolarHBondContact O-N 3.16Å
322M97Very high93.3Very high3 Ų337.5 Ų37.52%0.01519%0.186CC..Hα-helixtrans-73.7-33.6173.5-69175.268.900111.9T35 I288 E291 I292 T318 Y319 L326 F332 I333 L335T35-M322 HydrophobicContact CG2-CG 3.7Å; T35-M322 HydrophobicContact CG2-SD 4.35Å; I288-M322 HydrophobicContact CD1-CB 4.03Å; I288-M322 HydrophobicContact CG1-CB 4.32Å; I288-M322 HydrophobicContact CG2-CB 3.8Å; I288-M322 HydrophobicContact CG2-CE 4Å; I288-M322 HydrophobicContact CG2-SD 4.01Å; E291-M322 HydrophobicContact CB-CE 4.04Å; E291-M322 HydrophobicContact CG-CE 3.78Å; I292-M322 HydrophobicContact CD1-SD 4.13Å; I292-M322 HydrophobicContact CG1-SD 3.91Å; T318-M322 HydrophobicContact CG2-SD 3.99Å; T318-M322 VanDerWaalsContact O-CG 3.23Å; T318-M322 WeakPolarHBondContact O-CG 3.43Å; T318-M322 PolarHBondContact O-N 3.49Å; T318-M322 VanDerWaalsContact O-N 3.13Å; Y319-M322 PolarHBondContact O-N 3.19Å; M322-L326 WeakPolarHBondContact O-CB 3.34Å; M322-L326 PolarHBondContact O-N 3.27Å; M322-L326 VanDerWaalsContact O-N 3.16Å; M322-F332 HydrophobicContact CE-CZ 4.33Å; M322-I333 HydrophobicContact CE-CB 4.41Å; M322-I333 WeakPolarHBondContact CE-O 3.45Å; M322-I333 HydrophobicContact CG-CB 4.25Å; M322-I333 HydrophobicContact CG-CD1 4.36Å; M322-L335 HydrophobicContact CE-CG 4.35Å; M322-L335 HydrophobicContact SD-CD1 4.12Å; M322-L335 HydrophobicContact SD-CD2 3.81Å; M322-L335 HydrophobicContact SD-CG 4.06Å
323E94.4Very high93.2Very high23 Ų2337.3 Ų37.311%0.10719%0.186CC..Hα-helixtrans-67.7-49.4176.8-173.4169.2-111.700110.5I288 Y319 M320 V325 L326 E327I288-E323 HydrophobicContact CD1-CB 3.98Å; Y319-E323 HydrophobicContact CE1-CB 4.27Å; Y319-E323 VanDerWaalsContact CE1-CD 3.44Å; Y319-E323 HydrophobicContact CE1-CG 4.43Å; Y319-E323 VanDerWaalsContact CE1-OE1 3.26Å; Y319-E323 WeakPolarHBondContact CE1-OE1 3.26Å; Y319-E323 VanDerWaalsContact CE1-OE2 3.32Å; Y319-E323 WeakPolarHBondContact CE1-OE2 3.46Å; Y319-E323 VanDerWaalsContact CZ-OE1 3.25Å; Y319-E323 WeakPolarHBondContact O-CB 3.49Å; Y319-E323 PolarHBondContact O-N 3Å; Y319-E323 PolarHBondContact OH-OE1 2.83Å; M320-E323 PolarHBondContact O-N 3.37Å; E323-V325 PolarHBondContact O-N 3.22Å; E323-L326 PolarHBondContact O-N 3.34Å; E323-E327 WeakPolarHBondContact O-CB 3.34Å; E323-E327 VanDerWaalsContact O-CG 3.31Å; E323-E327 WeakPolarHBondContact O-CG 3.13Å; E323-E327 PolarHBondContact O-N 3.4Å
324S91.5Very high93Very high4 Ų444 Ų443%0.02821%0.209CC..Hα-helixtrans-60.6-44.3177.655.70000113.2Y75 M320 I321 L326 E327 E328Y75-S324 PolarHBondContact OH-OG 3.24Å; Y75-S324 VanDerWaalsContact OH-OG 3.11Å; M320-S324 PolarHBondContact O-N 2.91Å; M320-S324 PolarHBondContact O-OG 2.18Å; I321-S324 PolarHBondContact O-OG 3.35Å; S324-L326 VanDerWaalsContact C-N 3.3Å; S324-L326 PolarHBondContact O-N 3Å; S324-E327 PolarHBondContact O-N 3.47Å; S324-E328 WeakPolarHBondContact CB-OE1 3.46Å; S324-E328 WeakPolarHBondContact O-CB 3.46Å; S324-E328 VanDerWaalsContact O-CG 3.29Å; S324-E328 WeakPolarHBondContact O-CG 3.39Å; S324-E328 PolarHBondContact O-N 2.85Å
325V91.1Very high92.8Very high10 Ų1042.7 Ų42.76%0.06121%0.205CC..Hα-helixtrans-67.5-30.9178.11730000112.5Q37 I321 E323 E329 V331 I333Q37-V325 HydrophobicContact CG-CG2 3.93Å; I321-V325 WeakPolarHBondContact O-CG2 3.48Å; I321-V325 PolarHBondContact O-N 3.16Å; E323-V325 PolarHBondContact O-N 3.22Å; V325-E329 HydrophobicContact CG1-CB 4.29Å; V325-E329 HydrophobicContact CG1-CG 4.35Å; V325-E329 WeakPolarHBondContact O-CA 3.36Å; V325-E329 WeakPolarHBondContact O-CB 3.19Å; V325-E329 PolarHBondContact O-N 3.12Å; V325-V331 HydrophobicContact CG1-CB 4.08Å; V325-V331 HydrophobicContact CG1-CG1 4.43Å; V325-I333 HydrophobicContact CB-CD1 3.96Å; V325-I333 HydrophobicContact CB-CG1 4.39Å; V325-I333 HydrophobicContact CG1-CD1 3.96Å; V325-I333 HydrophobicContact CG1-CG1 3.99Å; V325-I333 HydrophobicContact CG2-CD1 4.13Å
326L92.4Very high91.8Very high39 Ų3947.1 Ų47.120%0.20423%0.225CC..Hα-helixtrans-72.4-37.9173.4-175.164.4000112N285 I288 M322 E323 S324 D330 F332N285-L326 VanDerWaalsContact ND2-CD2 3.27Å; N285-L326 WeakPolarHBondContact ND2-CD2 3.41Å; I288-L326 HydrophobicContact CD1-CD2 4.25Å; M322-L326 WeakPolarHBondContact O-CB 3.34Å; M322-L326 PolarHBondContact O-N 3.27Å; M322-L326 VanDerWaalsContact O-N 3.16Å; E323-L326 PolarHBondContact O-N 3.34Å; S324-L326 VanDerWaalsContact C-N 3.3Å; S324-L326 PolarHBondContact O-N 3Å; L326-D330 WeakPolarHBondContact O-CA 3.26Å; L326-D330 PolarHBondContact O-N 3.47Å; L326-F332 HydrophobicContact CD1-CB 4.26Å; L326-F332 HydrophobicContact CD1-CD2 4.39Å; L326-F332 HydrophobicContact CD2-CD2 4.26Å
327E87.1Confident90.3Very high122 Ų12254.5 Ų54.557%0.5725%0.253SS*.Hα-helixtrans-70.7-39.3176.9-72.1173.1164.500113K73 E323 S324K73-E327 IonicContact NZ-OE2 3.92Å; K73-E327 PolarHBondContact NZ-OE2 3.04Å; E323-E327 WeakPolarHBondContact O-CB 3.34Å; E323-E327 VanDerWaalsContact O-CG 3.31Å; E323-E327 WeakPolarHBondContact O-CG 3.13Å; E323-E327 PolarHBondContact O-N 3.4Å; S324-E327 PolarHBondContact O-N 3.47Å
328E83.5Confident88Confident99 Ų9962 Ų6246%0.46328%0.281SS..Hα-helixtrans-97.9-33.7-168.4-64.1164.6-146.700112.6K73 R149 S324K73-E328 IonicContact NZ-OE1 3.79Å; K73-E328 PolarHBondContact NZ-OE1 2.92Å; R149-E328 IonicContact NH2-OE2 3Å; S324-E328 WeakPolarHBondContact CB-OE1 3.46Å; S324-E328 WeakPolarHBondContact O-CB 3.46Å; S324-E328 VanDerWaalsContact O-CG 3.29Å; S324-E328 WeakPolarHBondContact O-CG 3.39Å; S324-E328 PolarHBondContact O-N 2.85Å
329E85.8Confident85.1Confident111 Ų11166.7 Ų66.752%0.51931%0.314SS..Hα-helixtrans-110.5-8.4-178.3-55.5-177.1-171.200114.1V325 V331V325-E329 HydrophobicContact CG1-CB 4.29Å; V325-E329 HydrophobicContact CG1-CG 4.35Å; V325-E329 WeakPolarHBondContact O-CA 3.36Å; V325-E329 WeakPolarHBondContact O-CB 3.19Å; V325-E329 PolarHBondContact O-N 3.12Å; E329-V331 HydrophobicContact CB-CB 4.17Å; E329-V331 HydrophobicContact CB-CG2 3.97Å; E329-V331 PolarHBondContact O-N 2.9Å
330D89.2Confident81.9Confident143 Ų14373.8 Ų73.877%0.76535%0.352SS*.  trans55.531.2-167-163.928.2000113L326L326-D330 WeakPolarHBondContact O-CA 3.26Å; L326-D330 PolarHBondContact O-N 3.47Å
331V88.8Confident79Confident69 Ų6978.4 Ų78.442%0.41838%0.383SS..  trans-111.9114.3-177174.60000111.6V325 E329 I333V325-V331 HydrophobicContact CG1-CB 4.08Å; V325-V331 HydrophobicContact CG1-CG1 4.43Å; E329-V331 HydrophobicContact CB-CB 4.17Å; E329-V331 HydrophobicContact CB-CG2 3.97Å; E329-V331 PolarHBondContact O-N 2.9Å; V331-I333 PolarHBondContact O-N 3.28Å
332F93.5Very high75.9Confident44 Ų4483 Ų8319%0.19341%0.413CS..  trans-80.1106.5171.8-168.1-92.6000112.3Q287 I288 E291 M322 L326 R334Q287-F332 HydrophobicContact CB-CE2 4Å; Q287-F332 HydrophobicContact CB-CZ 4.39Å; Q287-F332 HydrophobicContact CG-CD2 4.25Å; Q287-F332 HydrophobicContact CG-CE1 4.43Å; Q287-F332 HydrophobicContact CG-CE2 3.56Å; Q287-F332 HydrophobicContact CG-CZ 3.68Å; Q287-F332 VanDerWaalsContact NE2-CE2 3.3Å; Q287-F332 VanDerWaalsContact NE2-CG 3.31Å; I288-F332 HydrophobicContact CG1-CE2 3.77Å; E291-F332 HydrophobicContact CB-CE1 4.12Å; E291-F332 HydrophobicContact CB-CZ 3.86Å; E291-F332 HydrophobicContact CG-CE1 4.19Å; E291-F332 HydrophobicContact CG-CZ 4.35Å; M322-F332 HydrophobicContact CE-CZ 4.33Å; L326-F332 HydrophobicContact CD1-CB 4.26Å; L326-F332 HydrophobicContact CD1-CD2 4.39Å; L326-F332 HydrophobicContact CD2-CD2 4.26Å; F332-R334 PolarHBondContact O-N 3.16Å
333I91.8Very high73.2Confident16 Ų1689.3 Ų89.38%0.08245%0.454CS..PPolyproline II helixtrans-65.3130.8176.5-56.7-177.4000110.9T35 Q37 M322 V325 V331T35-I333 HydrophobicContact CG2-CD1 4.41Å; T35-I333 HydrophobicContact CG2-CG2 4.43Å; Q37-I333 HydrophobicContact CG-CD1 3.71Å; M322-I333 HydrophobicContact CE-CB 4.41Å; M322-I333 WeakPolarHBondContact CE-O 3.45Å; M322-I333 HydrophobicContact CG-CB 4.25Å; M322-I333 HydrophobicContact CG-CD1 4.36Å; V325-I333 HydrophobicContact CB-CD1 3.96Å; V325-I333 HydrophobicContact CB-CG1 4.39Å; V325-I333 HydrophobicContact CG1-CD1 3.96Å; V325-I333 HydrophobicContact CG1-CG1 3.99Å; V325-I333 HydrophobicContact CG2-CD1 4.13Å; V331-I333 PolarHBondContact O-N 3.28Å
334R93Very high70.7Confident170 Ų17093.3 Ų93.364%0.64249%0.485SS*.PPolyproline II helixtrans-97.8129.1164.2-66.4-63.6-174.31710109.9E291 F332 Q336E291-R334 WeakPolarHBondContact OE1-CA 3.4Å; E291-R334 VanDerWaalsContact OE2-CD 3.3Å; E291-R334 WeakPolarHBondContact OE2-CD 3.41Å; E291-R334 IonicContact OE2-CZ 2.81Å; E291-R334 IonicContact OE2-NE 3.48Å; E291-R334 IonicContact OE2-NH1 3.59Å; E291-R334 PolarHBondContact OE2-NH1 3.4Å; F332-R334 PolarHBondContact O-N 3.16Å; R334-Q336 PolarHBondContact O-N 3.2Å
335L91.2Very high68.1Low8 Ų897 Ų974%0.04252%0.516CS..PPolyproline II helixtrans-76.2125.8-175.5-66.1177.1000110.2V34 T35 E291 I292 Y295 T318 M322 R337V34-L335 HydrophobicContact CB-CD2 4.16Å; V34-L335 HydrophobicContact CG2-CD2 4.01Å; T35-L335 HydrophobicContact CG2-CD2 3.81Å; E291-L335 HydrophobicContact CG-CB 4.46Å; E291-L335 HydrophobicContact CG-CD1 4.23Å; E291-L335 HydrophobicContact CG-CG 4.01Å; E291-L335 PolarHBondContact OE1-N 3.36Å; I292-L335 HydrophobicContact CG1-CD1 3.96Å; Y295-L335 HydrophobicContact CD1-CD1 4.4Å; Y295-L335 HydrophobicContact CD2-CB 3.74Å; Y295-L335 HydrophobicContact CD2-CD1 4.41Å; Y295-L335 HydrophobicContact CE2-CB 4.48Å; Y295-L335 HydrophobicContact CG-CB 4.09Å; Y295-L335 HydrophobicContact CG-CD1 3.92Å; T318-L335 HydrophobicContact CG2-CD1 4.23Å; T318-L335 HydrophobicContact CG2-CD2 4.19Å; M322-L335 HydrophobicContact CE-CG 4.35Å; M322-L335 HydrophobicContact SD-CD1 4.12Å; M322-L335 HydrophobicContact SD-CD2 3.81Å; M322-L335 HydrophobicContact SD-CG 4.06Å; L335-R337 PolarHBondContact O-N 3.44Å
336Q75.9Confident65.4Low107 Ų107103.3 Ų103.350%0.555%0.554SS.*  trans-69.397.1-175.2-70.3-172.2-12.200111.5R36 R334 R338R36-Q336 VanDerWaalsContact CZ-OE1 3.31Å; R334-Q336 PolarHBondContact O-N 3.2Å; Q336-R338 PolarHBondContact O-N 3.3Å
337R65.9Low62.9Low154 Ų154107 Ų10758%0.58158%0.58SS**  trans-70.8125.2162.7-58.2-177.4-164.4149.115.5108.1A294 Y295 L335 S339A294-R337 VanDerWaalsContact CB-NH2 3.29Å; A294-R337 PolarHBondContact O-NE 3.35Å; A294-R337 PolarHBondContact O-NH2 2.76Å; Y295-R337 HydrophobicContact CD2-CG 4.29Å; L335-R337 PolarHBondContact O-N 3.44Å; R337-S339 PolarHBondContact O-N 2.94Å
338R48.7Very low60.6Low158 Ų158106.7 Ų106.760%0.59659%0.591SS**  trans-63.5109.9167.7-79.9177.4164.9174.4-7.9108.4Q336 N340 E549 L553Q336-R338 PolarHBondContact O-N 3.3Å; R338-N340 PolarHBondContact O-N 3.08Å; R338-E549 IonicContact NH1-OE2 3.18Å; R338-L553 VanDerWaalsContact NH2-CD1 3.25Å
339S36.6Very low58.2Low106 Ų106111.6 Ų111.674%0.74161%0.611SS**PPolyproline II helixtrans-65.4118.3161.952.50000107.8R337R337-S339 PolarHBondContact O-N 2.94Å
340N30.8Very low55.8Low148 Ų148115.2 Ų115.279%0.79163%0.625SS**PPolyproline II helixtrans-54.1126.9164.1-77.3-12.4000107.6R338R338-N340 PolarHBondContact O-N 3.08Å
341P33.8Very low53Low110 Ų110116 Ų11671%0.71463%0.628SS**PPolyproline II helixtrans-59.7140.6172.126.1-32.9000108.4
342P32.9Very low50.3Low99 Ų99119.8 Ų119.864%0.64364%0.641SS**PPolyproline II helixtrans-59.7138.7178.224.8-33.2000109.8S344P342-S344 PolarHBondContact O-N 2.99Å
343P39.3Very low47.1Very low135 Ų135124.2 Ų124.288%0.87767%0.672SS**SBendtrans-78.161.3-173.232.7-37000112
344S41.8Very low44.1Very low108 Ų108132.1 Ų132.176%0.75571%0.706SS**  trans-166.250.6176.743.30000113.2P342P342-S344 PolarHBondContact O-N 2.99Å
345A37Very low40.9Very low81 Ų81129.3 Ų129.367%0.66971%0.713SS**  trans-139.1103.2164.500000110.5P347A345-P347 WeakPolarHBondContact O-CD 3.38Å
346V35Very low37.9Very low143 Ų143134.5 Ų134.587%0.86775%0.748SS**  trans-109.299.5168.2179.30000108
347P38.7Very low35.8Very low117 Ų117139.5 Ų139.576%0.7676%0.763SS**  trans-87.5120.5168.9-6.326.1000109.5A345A345-P347 WeakPolarHBondContact O-CD 3.38Å
348S39.5Very low34.2Very low114 Ų114140 Ų14080%0.79777%0.771SS**  trans-57.1138.9-177.3-51.70000113.3K350S348-K350 PolarHBondContact O-N 3.13Å; S348-K350 VanDerWaalsContact O-N 3.08Å
349K34Very low33.4Very low202 Ų202139.3 Ų139.388%0.87879%0.785SS**  trans-58.7111.3175.2-67.8178.1178.7177.30111.3
350K35.2Very low33.2Very low187 Ų187144.4 Ų144.481%0.81379%0.788SS**  trans-123.2107.7150.3-82.9-170.5174.7-177.30108.6S348 H352S348-K350 PolarHBondContact O-N 3.13Å; S348-K350 VanDerWaalsContact O-N 3.08Å; K350-H352 PolarHBondContact O-N 3.11Å
351L29Very low33Very low160 Ų160145.1 Ų145.184%0.83879%0.791SS**  trans-66.2115.4165.3-100.570.8000108.1
352H31.9Very low33.1Very low148 Ų148149.1 Ų149.169%0.68580%0.801SS**  trans-119110.6155.1-93-78.9000108.6K350 F354K350-H352 PolarHBondContact O-N 3.11Å; H352-F354 HydrophobicContact CB-CD2 4.23Å; H352-F354 HydrophobicContact CB-CE2 4.13Å; H352-F354 PolarHBondContact O-N 3.45Å
353T27.5Very low32.9Very low138 Ų138153.7 Ų153.785%0.84781%0.81SS**  trans-63.2117.2167.129.70000109.6
354F28.5Very low32.6Very low181 Ų181157.1 Ų157.179%0.79481%0.812SS**  trans-115.6103.5169.4-92.6-82.2000110.7H352H352-F354 HydrophobicContact CB-CD2 4.23Å; H352-F354 HydrophobicContact CB-CE2 4.13Å; H352-F354 PolarHBondContact O-N 3.45Å
355S25.8Very low32.2Very low112 Ų112156.4 Ų156.478%0.78381%0.807SS**  trans-79.8134.2150.3178.60000107.5
356C29.3Very low31.9Very low116 Ų116157.1 Ų157.178%0.78481%0.813SS**  trans-127.5119168.6-160.80000111
357R31.8Very low31.9Very low212 Ų212156.2 Ų156.280%0.881%0.813SS**  trans-84.2152.2169.6-68.9170.8168.5167.7-4.7109.6
358Q30.7Very low31.6Very low164 Ų164155.1 Ų155.177%0.76681%0.813SS**  trans35.2114.3145.7-64.7178.5-1700118.7
359V33.2Very low31.8Very low145 Ų145154.9 Ų154.988%0.87981%0.809SS**  trans-110.7134148.1-178.80000107.9
360R31.4Very low32Very low212 Ų212150.6 Ų150.680%0.881%0.805SS**  trans-101.7154.3175.4-73.3178.4174.6163.9-1109.6
361D27.5Very low32.2Very low163 Ų163146.3 Ų146.387%0.87280%0.798SS**  trans-61.4133.2166.6-53.1-74000111.4
362E34.7Very low32.8Very low195 Ų195145.2 Ų145.291%0.91180%0.798SS**  trans-128.6129.1149-75-157.8153.500109.9
363K29.7Very low33.4Very low194 Ų194143.8 Ų143.884%0.84380%0.802SS**  trans-81.3146163.8-60.5170.3175.2178.60107.6
364F32.6Very low33.9Very low208 Ų208144.3 Ų144.391%0.91280%0.799SS**  -161163.9129.6-124.1-86.4000112.4
365S33.8Very low34.4Very low92 Ų92143.1 Ų143.164%0.64380%0.796SS**  trans-95.7145.9-166.652.60000115.3
366A30.4Very low35Very low96 Ų96147.7 Ų147.779%0.79380%0.796SS**  trans26.8121.214100000120.8
367S34.9Very low35.4Very low125 Ų125145.8 Ų145.887%0.87480%0.796SS**  -168.7143.9123.223.70000111.6
368A32.4Very low35.6Very low93 Ų93141.8 Ų141.877%0.76979%0.79SS**  trans-96.4-179.3166.800000108.5
369P43.1Very low36Very low109 Ų109141.2 Ų141.271%0.70879%0.792SS**  cis-152178.445.540.9-18.8000118.4
370S39Very low36.2Very low112 Ų112139.9 Ų139.978%0.78378%0.784SS**  trans62.7149.3149.762.40000119.2
371S38.4Very low36.5Very low97 Ų97136 Ų13668%0.67878%0.784SS**  cis-151.1117.41350.60000113.1
372T42.6Very low37.2Very low137 Ų137133.5 Ų133.584%0.8478%0.776SS**  55.7150.6129.951.80000125.2
373P44.2Very low37.3Very low118 Ų118129.7 Ų129.777%0.76677%0.771SS**  trans-126.1-167-165.543.3-24.8000114.1
374L38Very low37.7Very low149 Ų149125.3 Ų125.378%0.7877%0.765SS**  trans-176.6153.6157.3-90.5144.4000107.3
375H38.9Very low38.1Very low157 Ų157122.2 Ų122.273%0.72776%0.763SS**  cis-132.4149.3-2.7-92-80.4000107.3
376R39.2Very low38.2Very low208 Ų208123.9 Ų123.979%0.78577%0.772SS**  cis91.4110.737.9-157.6-174-154.6-172.59.9114.4
377G37Very low38.3Very low76 Ų76123.1 Ų123.178%0.78477%0.773SS**  trans-159.8108.9166.300000110.1
378N36.9Very low38.1Very low127 Ų127121.7 Ų121.768%0.67977%0.769SS**  trans-101.4164-174.7-74.7-7.6000111.6
379L38.3Very low38.1Very low153 Ų153123.4 Ų123.480%0.80177%0.772SS**  173.5124.9113.9-90.1158000115
380T37.7Very low37.4Very low116 Ų116126.3 Ų126.371%0.71278%0.781SS**  trans46.9130.6143.950.40000123.6
381V37.5Very low37.1Very low132 Ų132130.1 Ų130.180%0.879%0.786SS**  cis91137.822.2177.20000114.2
382P42.5Very low36.6Very low109 Ų109131.8 Ų131.871%0.70879%0.792SS**  cis-147.8-157.8-2845.1-24.6000116.4
383S36.9Very low35.9Very low116 Ų116136.3 Ų136.381%0.81179%0.793SS**  trans87142.2162.979.90000117.5
384S37Very low35.1Very low102 Ų102136.9 Ų136.971%0.71380%0.8SS**  cis-158.613714.6540000116.2
385V40.9Very low34.6Very low143 Ų143132.7 Ų132.787%0.86779%0.793SS**  trans74.7146.5138.7177.30000118.4
386P37.4Very low34Very low127 Ų127132.2 Ų132.283%0.82580%0.796SS**  -125.8176.9-12246.2-39.4000118.3
387G31.9Very low33.4Very low79 Ų79130.9 Ų130.981%0.81480%0.803SS**  trans170.199.9160.400000113.7
388A31.5Very low32.8Very low96 Ų96135.2 Ų135.279%0.79381%0.805SS**  trans-150.7145.8174.600000111.4
389P32.4Very low32.2Very low129 Ų129137.5 Ų137.584%0.83881%0.811SS**  trans-81.5170.6-171.933.6-36.7000114.1H391P389-H391 PolarHBondContact O-N 2.93Å
390L28.5Very low31.5Very low170 Ų170135.1 Ų135.189%0.8981%0.814SS**  trans-62.4120.9-177.7-72.4160.6000112.9V392L390-V392 PolarHBondContact O-N 2.89Å
391H30.9Very low30.9Very low191 Ų191133.7 Ų133.788%0.88481%0.814SS**  trans-69.5111.9164.6-110.8-53.7000110.4P389P389-H391 PolarHBondContact O-N 2.93Å
392V29.5Very low30.2Very low133 Ų133137.3 Ų137.381%0.80682%0.819SS**PPolyproline II helixtrans-85.3135.5155.51790000108.1L390L390-V392 PolarHBondContact O-N 2.89Å
393R27.4Very low29.5Very low232 Ų232138 Ų13888%0.87582%0.816SS**PPolyproline II helixtrans-69.1133-172.9-78.3171.9159.6163.4-7.1112.2G395R393-G395 PolarHBondContact O-N 3.28Å
394S27.3Very low29Very low129 Ų129139.4 Ų139.490%0.90281%0.814SS**PPolyproline II helixtrans-55.7129.6154.9-450000109.8
395G27.5Very low28.4Very low61 Ų61141.8 Ų141.863%0.62981%0.814SS**  trans17870.1-176.700000115.6R393R393-G395 PolarHBondContact O-N 3.28Å
396N26.6Very low27.8Very low148 Ų148140.3 Ų140.379%0.79181%0.81SS**  174.6100.1124.9-87.9-30.3000111.5M398N396-M398 PolarHBondContact O-N 3.33Å
397L25.1Very low27.4Very low180 Ų180137.5 Ų137.594%0.94279%0.793SS**  trans-73.579.7162.7-151.185.3000108.2Q399L397-Q399 PolarHBondContact O-N 3.47Å
398M25.3Very low27.1Very low166 Ų166140.5 Ų140.582%0.81880%0.796SS**  trans-73.995.8179.8-104.4-71177.500110.4N396 A400N396-M398 PolarHBondContact O-N 3.33Å; M398-A400 PolarHBondContact O-N 3.35Å
399Q23.5Very low27Very low175 Ų175140.1 Ų140.182%0.81879%0.787SS**  trans-61.3100178.9-158.21631500110.4L397 A401L397-Q399 PolarHBondContact O-N 3.47Å; Q399-A401 VanDerWaalsContact C-N 3.34Å; Q399-A401 PolarHBondContact O-N 2.98Å
400A24.6Very low26.8Very low103 Ų103139.5 Ų139.585%0.85178%0.777SS**  trans-67.992173.800000109.6M398M398-A400 PolarHBondContact O-N 3.35Å
401A24.5Very low26.8Very low86 Ų86137.4 Ų137.471%0.71177%0.766SS**  trans-67.3139-173.100000112.9Q399 I403Q399-A401 VanDerWaalsContact C-N 3.34Å; Q399-A401 PolarHBondContact O-N 2.98Å; A401-I403 PolarHBondContact O-N 3.02Å
402F23.4Very low26.6Very low208 Ų208135.2 Ų135.291%0.91276%0.76SS**  trans-44.3131.4166.3-69-103.8000112.4
403I28Very low26.5Very low124 Ų124137.4 Ų137.464%0.63677%0.765SS**  trans-131135.9147.5-64.9-172.1000109.2A401A401-I403 PolarHBondContact O-N 3.02Å
404D26Very low26.4Very low145 Ų145134.7 Ų134.778%0.77576%0.763SS**  trans-83.7175-166.7-157.3-1.6000113.8
405E25Very low26.4Very low152 Ų152132.8 Ų132.871%0.7176%0.755SS**  trans-55.1140.3-172.1-61-168.713800115.3M1M1-E405 PolarHBondContact N-OE1 2.99Å; M1-E405 VanDerWaalsContact N-OE1 3.07Å
406S27.1Very low26.6Very low113 Ų113139.6 Ų139.679%0.7977%0.77SS**  trans-177.1148.8135.441.50000112.9
407S28.9Very low26.6Very low68 Ų68141.9 Ų141.948%0.47677%0.773SS.*  trans90.138.4170-45.40000119.1
408T25.5Very low26.8Very low142 Ų142138.7 Ų138.787%0.87177%0.766SS**  trans-73.3123.4145.940.80000109
409S30.8Very low27Very low87 Ų87136.7 Ų136.761%0.60876%0.763SS**  trans-155.3110.4172.5-53.50000110.7
410D27.3Very low27.2Very low116 Ų116137.7 Ų137.762%0.6277%0.765SS**  trans41.9122.5149.5-31.7-34.1000119.7K600D410-K600 IonicContact OD2-NZ 3.64Å; D410-K600 PolarHBondContact OD2-NZ 2.87Å
411L28.7Very low27.5Very low127 Ų127140.6 Ų140.667%0.66577%0.765SS**  -178.6119.189.3-90.4171.6000113
412L27.3Very low27.6Very low145 Ų145144.1 Ų144.176%0.75977%0.772SS**  trans30.5106.9140.8-62.3170.9000119.3
413I27Very low28Very low178 Ų178139.4 Ų139.491%0.91377%0.765SS**  trans-85.899.4150.2-62172.3000107.3
414E26Very low27.9Very low175 Ų175138.9 Ų138.982%0.81877%0.773SS**  trans-154143.8164.7-131173.2-151.500113
415A26.7Very low28Very low90 Ų90141.5 Ų141.574%0.74478%0.778SS**  trans64.881.6168.800000119.7
416E31.2Very low28Very low203 Ų203138.8 Ų138.895%0.94978%0.775SS**  -127.495124.8-76.6-162.6152.800109.9
417K27Very low28.4Very low196 Ų196139.7 Ų139.785%0.85278%0.779SS**  trans-111.3149.4158-89-175.9176.6176.90107.2
418S28.8Very low28.4Very low113 Ų113141 Ų14179%0.7979%0.788SS**  trans77.7136.8-178-44.80000113.2
419T30.5Very low28.5Very low124 Ų124143.8 Ų143.876%0.76179%0.788SS**  cis-144136.116.4-320000110.8L421T419-L421 PolarHBondContact O-N 2.98Å
420K28Very low28.7Very low197 Ų197148 Ų14886%0.85780%0.798SS**  trans-67.1125.6164.3-73.6178.3175.6178.80108.6
421L30.2Very low28.7Very low163 Ų163149.9 Ų149.985%0.85381%0.807SS**  trans-142126.5155.7-107.3163.8000108.3T419T419-L421 PolarHBondContact O-N 2.98Å
422N27.1Very low28.8Very low160 Ų160151.2 Ų151.286%0.85681%0.814SS**  trans-74.9129.8-176.4-64.5-29.5000110.3
423S30.3Very low29.1Very low109 Ų109154.5 Ų154.576%0.76282%0.822SS**  trans-148.3111.5145.452.40000110.3F425S423-F425 PolarHBondContact O-N 3.46Å
424S26.2Very low29.5Very low114 Ų114151 Ų15180%0.79781%0.813SS**  trans-69.6119.7168.648.40000109.9
425F28.3Very low29.6Very low200 Ų200148.5 Ų148.588%0.87781%0.811SS**  trans-140.8110.1160.4-104.6-79.6000111.9S423S423-F425 PolarHBondContact O-N 3.46Å
426S25.2Very low30Very low95 Ų95153.9 Ų153.966%0.66482%0.82SS**  trans-76.9137167.747.40000110.9S428S426-S428 PolarHBondContact O-N 3.2Å
427P34.9Very low30Very low132 Ų132151.2 Ų151.286%0.85781%0.812SS**  trans-81.997.9163.731.4-28.5000109.4
428S28.7Very low30.4Very low96 Ų96151.1 Ų151.167%0.67181%0.812SS**  trans-71.1148.5164.246.40000110.5S426S426-S428 PolarHBondContact O-N 3.2Å
429K28.8Very low30.5Very low199 Ų199154.2 Ų154.287%0.86581%0.813SS**  trans-52.9137.1170.4-59.9172.5177.5179.40110.3
430H34.1Very low30.6Very low177 Ų177159.8 Ų159.882%0.81982%0.821SS**  trans-153.5125.2151-99.9-66.4000111.6
431D27.7Very low30.7Very low154 Ų154157 Ų15782%0.82482%0.821SS**  trans-72.6137.7171-55.3-80.9000111.4
432I31.3Very low30.8Very low156 Ų156153.1 Ų153.180%0.882%0.819SS**  trans-140.8101.4156.8-54.7-178.7000109.4
433F33.3Very low31Very low213 Ų213154.2 Ų154.293%0.93482%0.819SS**  trans-137.4129.2147.9-108.9-77.5000108.3
434S34.6Very low31.1Very low104 Ų104156.1 Ų156.173%0.72783%0.826SS**  trans-86.1122.8-164.952.90000113.9
435T29.2Very low31.1Very low124 Ų124160.5 Ų160.576%0.76183%0.831SS**  trans-8.5129.9153500000119.2
436Q35.1Very low31.3Very low202 Ų202154.3 Ų154.394%0.94482%0.823SS**  -140132.9126.3-79.1-152.1-1.800112.9
437N31.3Very low31.4Very low147 Ų147157.9 Ų157.979%0.78683%0.829SS**  trans-59.6146.2-176.3-66.4-47.9000116.5
438K34.1Very low31Very low195 Ų195158.2 Ų158.285%0.84882%0.823SS**  -177.9155.898.4-99169.6-178.1173.50114.7
439H32.3Very low31Very low177 Ų177162.7 Ų162.782%0.81983%0.833SS**  trans-38.4160.5174.9-52.6-67000116.2
440R31.8Very low30.9Very low242 Ų242160.6 Ų160.691%0.91383%0.831SS**  cis-162.3166.643.7-152.4172.1-173.1177.41.1113.6
441T30.3Very low30.5Very low139 Ų139158.4 Ų158.485%0.85383%0.834SS**  trans-79.8153.7-169.649.30000116.8
442G32.7Very low30.7Very low80 Ų80156.1 Ų156.183%0.82583%0.828SS**  trans-166.7119.716000000112.9
443H30.4Very low30.4Very low184 Ų184154.6 Ų154.685%0.85283%0.828SS**  trans-80.8156.3177.6-84.6-58.1000112.9
444T33.4Very low30.3Very low148 Ų148153.8 Ų153.891%0.90883%0.827SS**  -164159.7112.119.40000111.7
445K26.2Very low29.9Very low207 Ų207156.4 Ų156.490%0.983%0.832SS**  trans-99.9161.7-174.9-71.3176.5171.6-1790112.3
446G32.2Very low29.7Very low69 Ų69159.8 Ų159.871%0.71184%0.837SS**  trans166.283.4165.100000108
447E26.8Very low29.4Very low171 Ų171160.8 Ų160.880%0.79983%0.833SS**  78108.785.8-74.4-168.3163.300114.9
448I27.1Very low29.1Very low139 Ų139159.3 Ų159.371%0.71383%0.83SS**  trans65.8108.5131.2-53.1164.4000118.1
449E29.4Very low28.8Very low190 Ų190157.6 Ų157.689%0.88883%0.83SS**  -163.7148.1114.2-110.6-179.8-178.200112.8
450N26.2Very low28.5Very low154 Ų154157.7 Ų157.782%0.82483%0.833SS**  trans-100.6144.3179.5-70.6-63.5000110.8
451C26.2Very low28.3Very low132 Ų132152.1 Ų152.189%0.89283%0.826SS**  trans-160158.5145-1050000113
452P30.7Very low28.5Very low106 Ų106151.5 Ų151.569%0.68882%0.824SS**  trans-113.5-172.4-146.847.2-38.7000112.9
453P26Very low28.2Very low123 Ų123153.4 Ų153.480%0.79982%0.819SS**PPolyproline II helixtrans-78.1142-165.532.9-32.7000112.4
454Q31Very low28.3Very low197 Ų197152.8 Ų152.892%0.92182%0.822SS**PPolyproline II helixtrans-93.3147.2175.3-72-161.6-9.500113.3
455L25.5Very low28Very low158 Ų158154.4 Ų154.483%0.82782%0.816SS**PPolyproline II helixtrans-88.3166.6-162.4-80.9138.2000114.5
456F25.1Very low28.2Very low196 Ų196152.7 Ų152.786%0.8681%0.814SS**PPolyproline II helixtrans-49.4143.8165.8-70.6-103000112.9
457Y28Very low28.1Very low222 Ų222156 Ų15687%0.87182%0.815SS**  trans-104.1117.4162.9-107.9-90.9000109.8
458T26.2Very low28.1Very low117 Ų117153.7 Ų153.772%0.71881%0.808SS**  trans-102.7142.3164.539.50000110.5
459D27.5Very low28.3Very low158 Ų158155 Ų15585%0.84581%0.811SS**  trans1.6136.5169.7-54.8-40.6000121.1
460M25.6Very low28.2Very low180 Ų180150.2 Ų150.289%0.88780%0.798SS**  trans-108.6120.7161.6-78.8-160.2153.800111.9
461V28.7Very low28.4Very low125 Ų125153.4 Ų153.476%0.75880%0.799SS**  trans-130.1133.3158.8179.10000106.7
462P33.8Very low28.6Very low125 Ų125152.8 Ų152.881%0.81279%0.786SS**  trans-75.4147.1-174.829.1-33.9000113.2
463V26.8Very low28.7Very low121 Ų121154.5 Ų154.573%0.73379%0.789SS**  trans-79.2147-171.7171.80000112.7K465V463-K465 HydrophobicContact CG1-CG 4.17Å
464N32.2Very low28.9Very low171 Ų171155.6 Ų155.691%0.91478%0.783SS**  trans-129.9140.8142.1-120.7-21.1000110.7
465K27.1Very low29Very low181 Ų181152.7 Ų152.779%0.78777%0.769SS**  trans-88.8149.9-162.4-64.5171.1174.8173.80113.1V463V463-K465 HydrophobicContact CG1-CG 4.17Å
466M30.1Very low29.4Very low172 Ų172152.2 Ų152.285%0.84777%0.767SS**  -179.5130.4107.8-96-176.8-171.400113.1
467N29.2Very low29.6Very low137 Ų137151.2 Ų151.273%0.73376%0.763SS**  trans38.8144.2134.4-67.82000121.8
468L28.8Very low29.6Very low123 Ų123149.8 Ų149.864%0.64477%0.766SS**  cis-168.5145.30.4-105.3160.3000108.3
469Q29.5Very low29.6Very low168 Ų168150.5 Ų150.579%0.78577%0.77SS**  trans60.1148.9148.9-67175.5-1.500119.7
470S27.9Very low29.8Very low89 Ų89148.4 Ų148.462%0.62277%0.768SS**  cis-173.3146.8-9.4-1030000110.3
471R31Very low29.9Very low220 Ų220145.3 Ų145.383%0.8376%0.759SS**  trans67149.8148.6-66.4-175.7173.2171.2-1.2118.7
472D30.2Very low29.9Very low119 Ų119146.9 Ų146.964%0.63676%0.762SS**  cis-169.6159.9-7-107.2-18000111.2
473I33Very low29.8Very low143 Ų143146.2 Ų146.273%0.73376%0.758SS**  trans66.3146.2146.9-64.7162000119.4
474E30.5Very low30.3Very low146 Ų146145.9 Ų145.968%0.68276%0.758SS**  cis-166.5159.8-27.8-97.6-156.9110.100111.1
475H32.6Very low30.4Very low136 Ų136146.3 Ų146.363%0.6376%0.76SS**  trans33.7121.5146.9-76.787.1000123.4
476N32.5Very low30.5Very low147 Ų147144 Ų14479%0.78676%0.756SS**  -175.4142.496.3-103.4-42.7000117.9
477K29.4Very low30.4Very low176 Ų176142.1 Ų142.177%0.76576%0.758SS**  trans-40.8149.1161.3-64.2159.7172.8171.60118
478M28.7Very low30.3Very low192 Ų192144 Ų14495%0.94676%0.759SS**  -174.3171.6106.6-119.1-179.6159.500114.2
479V26.7Very low30.5Very low131 Ų131145.5 Ų145.579%0.79477%0.767SS**  trans-132.4131.5-171.5169.40000111.9V481V479-V481 HydrophobicContact CG1-CG2 4.25Å
480S31Very low30.6Very low115 Ų115142.8 Ų142.880%0.80476%0.762SS**  trans-163.9171156.659.70000111.1
481V27.4Very low30.7Very low115 Ų115144.6 Ų144.670%0.69776%0.764SS**  148.7119.4-50.1167.80000111.8V479V479-V481 HydrophobicContact CG1-CG2 4.25Å
482L29Very low30.7Very low158 Ų158142.2 Ų142.283%0.82776%0.763SS**  trans71.7158.5164.1-68.4171.9000119.9
483P33Very low30.8Very low111 Ų111142.3 Ų142.372%0.72177%0.77SS**  cis-141.6-143.3-39.448.4-30.1000112.9
484P37.2Very low30.6Very low113 Ų113138.8 Ų138.873%0.73477%0.768SS**  trans-118.8174.7-141.828.6-2.2000115.6
485L34.6Very low30.5Very low181 Ų181140.5 Ų140.595%0.94878%0.781SS**  trans-132145.1166.1-83.5171.5000112.5
486N27.5Very low30.2Very low132 Ų132139.4 Ų139.471%0.70679%0.789SS**  trans-139.8132.6-168.7-176.116.5000108.1
487C29.6Very low30.4Very low132 Ų132138 Ų13889%0.89279%0.788SS**  trans-141.5134.4168.4-950000110.3
488K27.2Very low30.3Very low176 Ų176134.5 Ų134.577%0.76579%0.786SS**  trans-103.7-175.2-175.6-69.5179.8172.3-179.20110.9
489I32.8Very low30.3Very low156 Ų156137 Ų13780%0.878%0.784SS**  trans104.3123.4158-59.8161.6000112.2
490T31.7Very low30.4Very low111 Ų111136.1 Ų136.168%0.68178%0.784SS**  cis-159.9157.9-14.423.80000108.6
491D29.1Very low30.3Very low126 Ų126136.4 Ų136.467%0.67478%0.781SS**  trans22.5143.3139.5-59.9-54.9000121.4
492H30.3Very low30.2Very low171 Ų171137.9 Ų137.979%0.79279%0.785SS**  cis-159.8-175.525.6-118.2-1.4000112.4
493P33.4Very low30.1Very low121 Ų121135.9 Ų135.979%0.78678%0.784SS**  trans-108.7170-147.942.3-38.6000117.1
494G28.9Very low30Very low68 Ų68139.9 Ų139.970%0.70179%0.793SS**  trans161.497.215600000119.3
495L28.1Very low29.5Very low182 Ų182141.6 Ų141.695%0.95380%0.795SS**  trans62.8158.4141.7-64.1162.4000121.2
496S27Very low29.2Very low114 Ų114140.2 Ų140.280%0.79779%0.787SS**  trans-125.5-169-176.5-33.20000109.1
497P36.7Very low29.4Very low118 Ų118140.9 Ų140.977%0.76679%0.791SS**  cis-127.9179.8-36.634.2-17.1000112.5
498S27.1Very low29.4Very low102 Ų102141.8 Ų141.871%0.71379%0.786SS**  trans137.2142.5138.170.90000116.7
499R28.8Very low29.4Very low243 Ų243139.4 Ų139.492%0.91779%0.787SS**  trans59.1158.6160.5-62.9175.1-178.3-157.50.6115.9
500S29.2Very low29.2Very low114 Ų114139.8 Ų139.880%0.79778%0.784SS**  cis-141.9177.8-8.3-167.60000108.9
501V27.8Very low29.2Very low120 Ų120140.2 Ų140.273%0.72778%0.783SS**  trans-65.8161.7169.6-173.60000110.9
502D25.5Very low29.2Very low147 Ų147143.2 Ų143.279%0.78679%0.79SS**  trans78.6105.1177.5-57.2-41000117.4
503S27.3Very low29Very low116 Ų116142.3 Ų142.381%0.81179%0.786SS**  trans173.548139.9-78.20000114.5
504Q29.7Very low28.7Very low195 Ų195143.3 Ų143.391%0.91178%0.784SS**SBendtrans-134.289.7156.9-73.2-164.7-5.600111
505L28.2Very low28.8Very low149 Ų149144.7 Ų144.778%0.7879%0.79SS**  trans38.2113.3133.3-82.160.7000117
506I27.6Very low28.8Very low151 Ų151144.3 Ų144.377%0.77478%0.783SS**  55.187.466.2-52.4177.8000112.3
507N32.2Very low28.8Very low146 Ų146145.4 Ų145.478%0.78178%0.779SS**  trans-154.491.7143.3-91.1-31.2000105.4
508L28.2Very low28.4Very low151 Ų151144.8 Ų144.879%0.79178%0.778SS**  90104.195.9-83170.2000112.8
509T27.2Very low28.5Very low127 Ų127149.3 Ų149.378%0.77979%0.787SS**  trans-60143.3164.4380000112.9
510H28.9Very low28.5Very low163 Ų163146.9 Ų146.976%0.75578%0.783SS**  174.4170110-137.8-106.8000111
511D31.2Very low28.5Very low120 Ų120153.8 Ų153.864%0.64279%0.792SS**  trans69.9134.6163.4-56.4-27000118.9
512F29.1Very low28.3Very low189 Ų189159.6 Ų159.683%0.82980%0.801SS**  cis-150.9158.7-3.4-141.4-105.4000111.3
513H27.5Very low28.3Very low152 Ų152158.3 Ų158.370%0.70480%0.801SS**  trans-112.2153.1177.7-15372.8000110.3
514N27.6Very low28.3Very low142 Ų142161.1 Ų161.176%0.75981%0.805SS**  trans77.8128.7169.4-55.8-42.6000120.7
515A31Very low28.1Very low98 Ų98156.5 Ų156.581%0.8179%0.794SS**  trans141.375.6146.500000110.4
516Q27.6Very low27.9Very low174 Ų174155.3 Ų155.381%0.81379%0.793SS**  52.8121.293.5-94.5-153.7-9.300118.4
517L27.6Very low27.8Very low137 Ų137154 Ų15472%0.71779%0.792SS**  trans86114142-64.7170000121.7
518S26.4Very low27.5Very low105 Ų105156.2 Ų156.273%0.73480%0.798SS**  trans53.6119.7140.461.10000121.1
519E30.6Very low27.4Very low196 Ų196153.2 Ų153.292%0.91680%0.795SS**  -162.6171.895.3-108.1-164.4158.900114.6
520K27.4Very low27.4Very low192 Ų192153.8 Ų153.884%0.83580%0.798SS**  trans-91.1145-172.2-59.2159.2178.9164.10111.8
521R29.3Very low27.6Very low260 Ų260148.7 Ų148.798%0.98178%0.781SS**  trans-165.6169.4131.3-105157.5-162.1-141.34.6112.9
522R25.1Very low27.7Very low241 Ų241150.7 Ų150.791%0.90979%0.786SS**  trans-106.7174.3-154.9-104.1-174.5-179.4-179.40.5113
523P25.2Very low28Very low121 Ų121146.8 Ų146.879%0.78677%0.774SS**  trans-89.7167-150.137.1-39000115.5
524I27.3Very low28.3Very low174 Ų174144.9 Ų144.989%0.89277%0.769SS**  trans-126.7151.2168.1-63177.1000108.7
525S24.1Very low28.7Very low98 Ų98140.9 Ų140.969%0.68575%0.747SS**  trans-114.5140.1-163.954.40000114.7
526V25.7Very low28.8Very low124 Ų124139.7 Ų139.775%0.75273%0.733SS**  trans79142144.7174.50000119
527T24.9Very low29.2Very low123 Ų123135.5 Ų135.576%0.75572%0.72SS**  trans59.3112.5171.242.20000116.2
528E26.6Very low29.6Very low194 Ų194131.2 Ų131.291%0.90770%0.704SS**  -160.6-166.661.6-112.6164.9-164.100113.5
529A24.4Very low30.3Very low88 Ų88130.2 Ų130.273%0.72769%0.685SS**  trans-74.3-176.2-164.500000117.2
530T29.1Very low31Very low139 Ų139123.9 Ų123.985%0.85366%0.662SS**  trans101.6140177.668.60000115.9
531S33Very low31.7Very low56 Ų56117.6 Ų117.639%0.39264%0.642SS.*  cis-147.7167.6-23.470.60000107.9D533S531-D533 WeakPolarHBondContact CB-OD2 3.43Å; S531-D533 PolarHBondContact O-N 3.24Å; S531-D533 PolarHBondContact OG-OD2 3.11Å
532E32Very low32.5Very low161 Ų161107.5 Ų107.575%0.75261%0.607SS**THydrogen-bonded Turntrans-66.9-19.1179.8-67-166.6122.600113.6N534 L535 S536E532-N534 VanDerWaalsContact C-N 3.34Å; E532-N534 PolarHBondContact O-N 2.82Å; E532-L535 PolarHBondContact O-N 2.79Å; E532-S536 PolarHBondContact O-N 3.44Å
533D34.8Very low33.4Very low108 Ų10898.7 Ų98.758%0.57858%0.583SS**Hα-helixtrans-66-32.2-174.5-48.6-68.2000113.7S531 L535 S536 T537S531-D533 WeakPolarHBondContact CB-OD2 3.43Å; S531-D533 PolarHBondContact O-N 3.24Å; S531-D533 PolarHBondContact OG-OD2 3.11Å; D533-L535 VanDerWaalsContact C-N 3.26Å; D533-L535 PolarHBondContact O-N 2.78Å; D533-S536 PolarHBondContact O-N 2.97Å; D533-T537 WeakPolarHBondContact O-CB 3.24Å; D533-T537 PolarHBondContact O-N 3.26Å; D533-T537 PolarHBondContact O-OG1 2.99Å
534N33.8Very low34.4Very low111 Ų11196 Ų9659%0.59457%0.566SS**Hα-helixtrans-65.6-30.2179.2-76.7-30.5000112.3E532 A538E532-N534 VanDerWaalsContact C-N 3.34Å; E532-N534 PolarHBondContact O-N 2.82Å; N534-A538 PolarHBondContact O-N 3.17Å; N534-A538 VanDerWaalsContact O-N 3.1Å
535L36.3Very low35.3Very low58 Ų5893.3 Ų93.330%0.30455%0.55SS.*Hα-helixtrans-77.6-44.8177.2-73.5162.3000111.2E302 R305 E532 D533 T537 A538 Y539E302-L535 HydrophobicContact CG-CD2 4.43Å; E302-L535 WeakPolarHBondContact OE1-CD2 3.45Å; R305-L535 VanDerWaalsContact NH2-CD1 3.34Å; E532-L535 PolarHBondContact O-N 2.79Å; D533-L535 VanDerWaalsContact C-N 3.26Å; D533-L535 PolarHBondContact O-N 2.78Å; L535-T537 PolarHBondContact O-N 2.85Å; L535-A538 PolarHBondContact O-N 3.39Å; L535-A538 VanDerWaalsContact O-N 3.1Å; L535-Y539 WeakPolarHBondContact O-CD2 3.22Å; L535-Y539 PolarHBondContact O-N 3.05Å
536S33.4Very low36.1Very low74 Ų7490.8 Ų90.852%0.51753%0.529SS..Hα-helixtrans-54.6-39.4171.3-173.80000111.8E532 D533 S540E532-S536 PolarHBondContact O-N 3.44Å; D533-S536 PolarHBondContact O-N 2.97Å; S536-S540 VanDerWaalsContact O-CB 3.29Å; S536-S540 WeakPolarHBondContact O-CB 3.36Å; S536-S540 PolarHBondContact O-N 3.07Å; S536-S540 PolarHBondContact O-OG 3.35Å
537T35.3Very low36.9Very low86 Ų8690.2 Ų90.253%0.52852%0.518SS..Hα-helixtrans-65.7-42.5175.6-56.60000112.4D533 L535 S540 S541D533-T537 WeakPolarHBondContact O-CB 3.24Å; D533-T537 PolarHBondContact O-N 3.26Å; D533-T537 PolarHBondContact O-OG1 2.99Å; L535-T537 PolarHBondContact O-N 2.85Å; T537-S540 PolarHBondContact O-N 2.89Å; T537-S541 WeakPolarHBondContact O-CB 3.38Å; T537-S541 PolarHBondContact O-N 2.9Å
538A36.5Very low37.8Very low47 Ų4791.6 Ų91.639%0.38852%0.516SS..Hα-helixtrans-64.5-42.8175.900000112.7N534 L535 S541 L542N534-A538 PolarHBondContact O-N 3.17Å; N534-A538 VanDerWaalsContact O-N 3.1Å; L535-A538 PolarHBondContact O-N 3.39Å; L535-A538 VanDerWaalsContact O-N 3.1Å; A538-S541 PolarHBondContact O-N 3.44Å; A538-L542 PolarHBondContact O-N 3.36Å
539Y42.1Very low38.4Very low84 Ų8487.4 Ų87.433%0.32950%0.496SS..Hα-helixtrans-62.4-43.7173.2-89.9-86.2000112.3M306 D313 I315 L535 S541 L542 S543M306-Y539 HydrophobicContact CE-CE2 3.44Å; M306-Y539 VanDerWaalsContact CE-CE2 3.44Å; M306-Y539 VanDerWaalsContact CE-CZ 3.48Å; M306-Y539 WeakPolarHBondContact CE-OH 3.46Å; D313-Y539 WeakPolarHBondContact OD2-CE1 3.45Å; D313-Y539 VanDerWaalsContact OD2-CZ 3.23Å; D313-Y539 PolarHBondContact OD2-OH 2.96Å; I315-Y539 HydrophobicContact CD1-CD1 4.49Å; I315-Y539 HydrophobicContact CD1-CE1 3.7Å; I315-Y539 HydrophobicContact CG1-CE1 4.24Å; L535-Y539 WeakPolarHBondContact O-CD2 3.22Å; L535-Y539 PolarHBondContact O-N 3.05Å; Y539-S541 VanDerWaalsContact C-N 3.32Å; Y539-S541 PolarHBondContact O-N 2.81Å; Y539-L542 PolarHBondContact O-N 2.81Å; Y539-S543 WeakPolarHBondContact O-CB 3.2Å; Y539-S543 PolarHBondContact O-N 3.19Å
540S44.1Very low39.1Very low62 Ų6284.4 Ų84.443%0.43447%0.468SS..Hα-helixtrans-62.5-40.6176.6-61.70000111.3S536 T537 S543 S544S536-S540 VanDerWaalsContact O-CB 3.29Å; S536-S540 WeakPolarHBondContact O-CB 3.36Å; S536-S540 PolarHBondContact O-N 3.07Å; S536-S540 PolarHBondContact O-OG 3.35Å; T537-S540 PolarHBondContact O-N 2.89Å; S540-S543 PolarHBondContact O-N 3.09Å; S540-S544 VanDerWaalsContact O-CB 3.25Å; S540-S544 WeakPolarHBondContact O-CB 3.36Å; S540-S544 PolarHBondContact O-N 2.96Å; S540-S544 PolarHBondContact O-OG 3.21Å
541S41.9Very low39.5Very low60 Ų6081 Ų8142%0.4245%0.453SS..Hα-helixtrans-62.2-48.3175.9-1740000112.6T537 A538 Y539 S543 S544 Q545T537-S541 WeakPolarHBondContact O-CB 3.38Å; T537-S541 PolarHBondContact O-N 2.9Å; A538-S541 PolarHBondContact O-N 3.44Å; Y539-S541 VanDerWaalsContact C-N 3.32Å; Y539-S541 PolarHBondContact O-N 2.81Å; S541-S543 PolarHBondContact O-N 2.79Å; S541-S544 PolarHBondContact O-N 3.36Å; S541-Q545 WeakPolarHBondContact O-CG 3.47Å; S541-Q545 PolarHBondContact O-N 3.01Å
542L47.3Very low39.8Very low48 Ų4882 Ų8225%0.25146%0.461SS..Hα-helixtrans-61.5-43.3175.6-99.2148000112.5I298 A538 Y539 L546I298-L542 HydrophobicContact CD1-CD1 4.37Å; A538-L542 PolarHBondContact O-N 3.36Å; Y539-L542 PolarHBondContact O-N 2.81Å; L542-L546 PolarHBondContact O-N 2.88Å; L542-L546 VanDerWaalsContact O-N 3.13Å
543S43.5Very low39.9Very low56 Ų5679.3 Ų79.339%0.39245%0.451SS..Hα-helixtrans-63.4-40.7175-171.70000111.8Y539 S540 S541 Q547Y539-S543 WeakPolarHBondContact O-CB 3.2Å; Y539-S543 PolarHBondContact O-N 3.19Å; S540-S543 PolarHBondContact O-N 3.09Å; S541-S543 PolarHBondContact O-N 2.79Å; S543-Q547 WeakPolarHBondContact O-CB 3.47Å; S543-Q547 VanDerWaalsContact O-CG 3.25Å; S543-Q547 WeakPolarHBondContact O-CG 3.42Å; S543-Q547 PolarHBondContact O-N 2.89Å; S543-Q547 PolarHBondContact OG-NE2 2.79Å; S543-Q547 VanDerWaalsContact OG-NE2 3.15Å
544S47Very low40.1Very low64 Ų6481.1 Ų81.145%0.44846%0.455SS..Hα-helixtrans-70.5-40.3179.8-58.20000112.3S540 S541 Q547 H548S540-S544 VanDerWaalsContact O-CB 3.25Å; S540-S544 WeakPolarHBondContact O-CB 3.36Å; S540-S544 PolarHBondContact O-N 2.96Å; S540-S544 PolarHBondContact O-OG 3.21Å; S541-S544 PolarHBondContact O-N 3.36Å; S544-Q547 PolarHBondContact O-N 2.64Å; S544-H548 WeakPolarHBondContact O-CB 3.46Å; S544-H548 PolarHBondContact O-N 3.35Å
545Q45.3Very low40Very low119 Ų11980.1 Ų80.156%0.55646%0.457SS*.Hα-helixtrans-60.9-46.5173.8-77.3180-14.300111.3S541 Q547 H548 E549S541-Q545 WeakPolarHBondContact O-CG 3.47Å; S541-Q545 PolarHBondContact O-N 3.01Å; Q545-Q547 PolarHBondContact O-N 2.77Å; Q545-H548 PolarHBondContact O-N 3.19Å; Q545-E549 PolarHBondContact O-N 3.19Å
546L41.7Very low39.9Very low45 Ų4582.9 Ų82.924%0.23648%0.481CS..Hα-helixtrans-59.7-43.8173.9-94.2154.5000112.5L12 L542 I550L12-L546 HydrophobicContact CD2-CD1 4.2Å; L542-L546 PolarHBondContact O-N 2.88Å; L542-L546 VanDerWaalsContact O-N 3.13Å; L546-I550 HydrophobicContact CD2-CD1 4.2Å; L546-I550 WeakPolarHBondContact O-CB 3.19Å; L546-I550 WeakPolarHBondContact O-CD1 3.49Å; L546-I550 WeakPolarHBondContact O-CG1 3.43Å; L546-I550 PolarHBondContact O-N 3.22Å
547Q41.4Very low39.8Very low111 Ų11185.9 Ų85.952%0.51950%0.499SS..Hα-helixtrans-63.9-41.6177-73.9172.536.800112.1S543 S544 Q545 I550 A551S543-Q547 WeakPolarHBondContact O-CB 3.47Å; S543-Q547 VanDerWaalsContact O-CG 3.25Å; S543-Q547 WeakPolarHBondContact O-CG 3.42Å; S543-Q547 PolarHBondContact O-N 2.89Å; S543-Q547 PolarHBondContact OG-NE2 2.79Å; S543-Q547 VanDerWaalsContact OG-NE2 3.15Å; S544-Q547 PolarHBondContact O-N 2.64Å; Q545-Q547 PolarHBondContact O-N 2.77Å; Q547-I550 PolarHBondContact O-N 3.26Å; Q547-A551 WeakPolarHBondContact O-CB 3.45Å; Q547-A551 PolarHBondContact O-N 2.97Å
548H45Very low39.6Very low152 Ų15285.2 Ų85.270%0.70451%0.509SS*.Hα-helixtrans-72.2-37.8-177.1-149.4-64.8000112.7S544 Q545 I550 S552S544-H548 WeakPolarHBondContact O-CB 3.46Å; S544-H548 PolarHBondContact O-N 3.35Å; Q545-H548 PolarHBondContact O-N 3.19Å; H548-I550 VanDerWaalsContact C-N 3.28Å; H548-I550 PolarHBondContact O-N 3.04Å; H548-S552 PolarHBondContact O-N 2.89Å
549E38Very low39.3Very low106 Ų10689.9 Ų89.950%0.49553%0.533SS..Hα-helixtrans-68.4-25.5172.3-76.4-167.8-176.300113.4R338 Q545 S552 L553R338-E549 IonicContact NH1-OE2 3.18Å; Q545-E549 PolarHBondContact O-N 3.19Å; E549-S552 PolarHBondContact O-OG 3.13Å; E549-L553 WeakPolarHBondContact O-CD1 3.48Å; E549-L553 WeakPolarHBondContact O-CG 3.24Å
550I38.6Very low38.7Very low26 Ų2691.9 Ų91.913%0.13355%0.553CS.*Hα-helixtrans-90.2-32.2-178.3-69.5174.8000111.3L546 Q547 H548 S552 L553 H554L546-I550 HydrophobicContact CD2-CD1 4.2Å; L546-I550 WeakPolarHBondContact O-CB 3.19Å; L546-I550 WeakPolarHBondContact O-CD1 3.49Å; L546-I550 WeakPolarHBondContact O-CG1 3.43Å; L546-I550 PolarHBondContact O-N 3.22Å; Q547-I550 PolarHBondContact O-N 3.26Å; H548-I550 VanDerWaalsContact C-N 3.28Å; H548-I550 PolarHBondContact O-N 3.04Å; I550-S552 VanDerWaalsContact C-N 3.3Å; I550-S552 PolarHBondContact O-N 3.11Å; I550-L553 PolarHBondContact O-N 3.34Å; I550-H554 PolarHBondContact O-ND1 3.36Å
551A38.8Very low38Very low66 Ų6692.4 Ų92.455%0.54557%0.569SS.*Hα-helixtrans-60.6-39.8169.300000111.7Q547 L553 H554Q547-A551 WeakPolarHBondContact O-CB 3.45Å; Q547-A551 PolarHBondContact O-N 2.97Å; A551-L553 PolarHBondContact O-N 3.29Å; A551-H554 PolarHBondContact O-N 3.01Å
552S38.6Very low37.3Very low79 Ų7996.3 Ų96.355%0.55259%0.585SS**THydrogen-bonded Turntrans-69-13.3178.470.20000114.7H548 E549 I550H548-S552 PolarHBondContact O-N 2.89Å; E549-S552 PolarHBondContact O-OG 3.13Å; I550-S552 VanDerWaalsContact C-N 3.3Å; I550-S552 PolarHBondContact O-N 3.11Å
553L35.4Very low36.7Very low103 Ų103100.9 Ų100.954%0.53961%0.61SS.*THydrogen-bonded Turntrans-95.9-8.3179.4-74.5168.2000114.2R338 E549 I550 A551R338-L553 VanDerWaalsContact NH2-CD1 3.25Å; E549-L553 WeakPolarHBondContact O-CD1 3.48Å; E549-L553 WeakPolarHBondContact O-CG 3.24Å; I550-L553 PolarHBondContact O-N 3.34Å; A551-L553 PolarHBondContact O-N 3.29Å
554H38.2Very low36.1Very low146 Ų146106.5 Ų106.568%0.67663%0.627SS**SBendtrans-111.63.7-176.8-68.489.3000113.9I550 A551 S556I550-H554 PolarHBondContact O-ND1 3.36Å; A551-H554 PolarHBondContact O-N 3.01Å; H554-S556 PolarHBondContact O-N 3.23Å
555S32.6Very low35.3Very low91 Ų91108 Ų10864%0.63664%0.637SS**  trans-90.599.3176.539.80000111.9
556S32.3Very low34.6Very low116 Ų116111 Ų11181%0.81165%0.651SS**  trans-132123.9164-74.10000109.3H554H554-S556 PolarHBondContact O-N 3.23Å
557P31.7Very low34.1Very low136 Ų136114.8 Ų114.888%0.88368%0.682SS**  trans-93.7151.5-170.635.4-35.2000114.3
558G30.9Very low33.5Very low72 Ų72118.7 Ų118.774%0.74270%0.7SS**  trans121.4140.9173.400000112.6
559V31.4Very low32.9Very low146 Ų146117 Ų11789%0.88571%0.705SS**  cis-143.7145.17.21710000109
560V28.4Very low32.6Very low125 Ų125117.3 Ų117.376%0.75872%0.72SS**  trans-91.2143.4174.7175.40000110.3
561G30.3Very low32.2Very low74 Ų74120 Ų12076%0.76375%0.745SS**  trans-152.6106.7166.500000109.7
562D27.6Very low32Very low142 Ų142124.4 Ų124.476%0.75976%0.76SS**  trans-80.8154.3169.9-70.8-57.2000110.6
563D33.6Very low31.7Very low144 Ų144129.2 Ų129.277%0.7777%0.774SS**  trans-169135.9134.1-105.9-18.9000115.3
564F31.3Very low31.3Very low173 Ų173130.2 Ų130.276%0.75979%0.788SS**  trans55.4102.7158.8-72.5-91.8000123.9
565S30Very low30.8Very low95 Ų95126 Ų12666%0.66478%0.784SS**  33.5149.3102.1-47.90000120
566Q29.8Very low30.9Very low182 Ų182129.1 Ų129.185%0.8580%0.8SS**  cis175145.6-4.4-104.4-173.7-3.200105.2
567S32.6Very low30.6Very low126 Ų126129.2 Ų129.288%0.88180%0.8SS**  trans176.6144.9131.3550000111.9
568Q28.2Very low30.5Very low192 Ų192128.3 Ų128.390%0.89780%0.797SS**  trans-118.7163.4179.8-63.7178.7-9.700110.6
569S33.5Very low30.3Very low116 Ų116130.2 Ų130.281%0.81180%0.799SS**  trans144.3150.9144.969.30000110.4
570S30.7Very low30.2Very low114 Ų114135 Ų13580%0.79780%0.801SS**  cis-164173.2-17.2420000107.5
571A31.3Very low30.2Very low81 Ų81135.4 Ų135.467%0.66980%0.804SS**  trans-82172.9-178.400000113.6
572D34.1Very low30.1Very low159 Ų159137.2 Ų137.285%0.8580%0.802SS**  -177-177127.7-88.1-11.3000112.8
573E32.5Very low30.1Very low180 Ų180139.7 Ų139.784%0.84181%0.809SS**  trans-103.4158-134.5-65.7-171.611500120
574C27Very low29.9Very low125 Ų125138.8 Ų138.885%0.84581%0.808SS**  trans40125.5134.5-154.30000123.3
575G28Very low30Very low58 Ų58135.6 Ų135.660%0.59881%0.807SS**  104.1105.9119.100000119.5
576T33.8Very low30.1Very low156 Ų156133 Ų13396%0.95780%0.795SS**  179.5156.7119.727.10000112
577S26.6Very low30Very low118 Ų118135.3 Ų135.383%0.82580%0.797SS**  trans-88.8137.2-169.853.20000114.7
578S29.5Very low30Very low117 Ų117139.8 Ų139.882%0.81879%0.794SS**  trans-155.5142.7142.7-164.10000111.5R580S578-R580 PolarHBondContact O-N 3.27Å
579S25.4Very low30.3Very low112 Ų112136.3 Ų136.378%0.78378%0.782SS**  trans-74.6117.2-175.144.50000112.4
580R29.3Very low30.2Very low246 Ų246138 Ų13893%0.92878%0.775SS**  trans-156.2150.8157.5-104.6155.6-156-155.35.3110.6S578S578-R580 PolarHBondContact O-N 3.27Å
581V28.1Very low30.3Very low133 Ų133134.6 Ų134.681%0.80676%0.758SS**  trans-55.6132.5-170.6-176.80000111.7E583V581-E583 PolarHBondContact O-N 2.83Å
582P28.6Very low30.6Very low113 Ų113140.3 Ų140.373%0.73476%0.762SS**  trans-77.1111.4-179.729.7-33.2000111.8V584P582-V584 PolarHBondContact O-N 3.49Å
583E27.6Very low30.5Very low193 Ų193137.7 Ų137.790%0.90275%0.747SS**  trans-61.5131.2165.7-72.6-173.3127.300110.9V581 S585V581-E583 PolarHBondContact O-N 2.83Å; E583-S585 PolarHBondContact O-N 3.45Å
584V30.9Very low30.7Very low125 Ų125137.7 Ų137.776%0.75874%0.74SS**  trans-75.6110.9-174.1179.80000110.9P582 G586P582-V584 PolarHBondContact O-N 3.49Å; V584-G586 PolarHBondContact O-N 2.96Å
585S32.7Very low31.3Very low106 Ų106140.1 Ų140.174%0.74174%0.736SS**THydrogen-bonded Turntrans-657.4-177.754.80000116.4E583 W587E583-S585 PolarHBondContact O-N 3.45Å; S585-W587 PolarHBondContact O-N 3.49Å; S585-W587 VanDerWaalsContact O-N 3.13Å
586G31.1Very low31.9Very low40 Ų40140.4 Ų140.441%0.41273%0.733SS.*THydrogen-bonded Turntrans-63.8-17.5-175.300000115.7V584 R588 N589V584-G586 PolarHBondContact O-N 2.96Å; G586-R588 VanDerWaalsContact C-N 3.34Å; G586-R588 PolarHBondContact O-N 2.98Å; G586-N589 PolarHBondContact O-N 3.03Å
587W28.9Very low31.9Very low231 Ų231136.9 Ų136.988%0.87571%0.707SS**Hα-helixtrans-73.2-22.1-174.1-71.453.2000113.5S585 F590S585-W587 PolarHBondContact O-N 3.49Å; S585-W587 VanDerWaalsContact O-N 3.13Å; W587-F590 WeakPolarHBondContact O-CB 3.43Å; W587-F590 PolarHBondContact O-N 2.71Å
588R31.1Very low32.6Very low221 Ų221134.4 Ų134.483%0.83469%0.688SS**Hα-helixtrans-72.1-27.8178.6-63.5-170.1-171.9-162.33.9113.2G586G586-R588 VanDerWaalsContact C-N 3.34Å; G586-R588 PolarHBondContact O-N 2.98Å
589N35.6Very low33.6Very low119 Ų119129.4 Ų129.464%0.63665%0.652SS**Hα-helixtrans-73.7-28.7175.6-76.8-10.3000112.6G586 G591 R592 L593G586-N589 PolarHBondContact O-N 3.03Å; N589-G591 PolarHBondContact O-N 3.32Å; N589-R592 PolarHBondContact O-N 2.88Å; N589-R592 VanDerWaalsContact O-N 3.12Å; N589-L593 PolarHBondContact O-N 3.16Å; N589-L593 VanDerWaalsContact O-N 3.11Å
590F31.5Very low35.2Very low152 Ų152131.9 Ų131.967%0.66765%0.649SS**Hα-helixtrans-59.9-31.8177.6-139.3-89.8000112.3W587 R594W587-F590 WeakPolarHBondContact O-CB 3.43Å; W587-F590 PolarHBondContact O-N 2.71Å; F590-R594 WeakPolarHBondContact O-CB 3.34Å; F590-R594 PolarHBondContact O-N 3.09Å
591G32.9Very low36.7Very low42 Ų42121.4 Ų121.443%0.43361%0.611SS.*Hα-helixtrans-67.2-36.6175.900000114.3N589 K595N589-G591 PolarHBondContact O-N 3.32Å; G591-K595 PolarHBondContact O-N 3.42Å
592R37.8Very low38.1Very low201 Ų201116 Ų11676%0.75858%0.578SS**Hα-helixtrans-72.1-45.1175.1-69-173.3-178.3-170.91.3111N589 R594 K595 A596N589-R592 PolarHBondContact O-N 2.88Å; N589-R592 VanDerWaalsContact O-N 3.12Å; R592-R594 VanDerWaalsContact C-N 3.33Å; R592-R594 PolarHBondContact O-N 3Å; R592-K595 PolarHBondContact O-N 3.16Å; R592-K595 VanDerWaalsContact O-N 3.17Å; R592-A596 PolarHBondContact O-N 2.74Å
593L32.4Very low39.6Very low103 Ų103113.8 Ų113.854%0.53956%0.563SS.*Hα-helixtrans-61.9-42.1176.8-159.674.7000111.1N589 K595 A596 L597N589-L593 PolarHBondContact O-N 3.16Å; N589-L593 VanDerWaalsContact O-N 3.11Å; L593-K595 VanDerWaalsContact C-N 3.35Å; L593-K595 PolarHBondContact O-N 3.1Å; L593-A596 PolarHBondContact O-N 2.76Å; L593-L597 HydrophobicContact CD2-CD1 4.27Å; L593-L597 HydrophobicContact CG-CD1 3.92Å; L593-L597 HydrophobicContact CG-CG 4.48Å; L593-L597 WeakPolarHBondContact O-CB 3.31Å; L593-L597 VanDerWaalsContact O-CG 3.31Å; L593-L597 WeakPolarHBondContact O-CG 3.27Å; L593-L597 PolarHBondContact O-N 2.92Å
594R35.8Very low40.8Very low181 Ų181111.1 Ų111.168%0.68356%0.562SS**Hα-helixtrans-57.7-43.4173.3-172.3176.6-176.1179.61.1112F590 R592 L597 T598F590-R594 WeakPolarHBondContact O-CB 3.34Å; F590-R594 PolarHBondContact O-N 3.09Å; R592-R594 VanDerWaalsContact C-N 3.33Å; R592-R594 PolarHBondContact O-N 3Å; R594-L597 CarbonylContact O-C 3.49Å; R594-L597 PolarHBondContact O-N 2.99Å; R594-T598 PolarHBondContact O-N 3.14Å; R594-T598 PolarHBondContact O-OG1 2.71Å
595K39.8Very low42.1Very low176 Ų176110 Ų11077%0.76555%0.552SS**Hα-helixtrans-66.7-33.6175.5-86.5-171.3173.8-1760113.8G591 R592 L593 T598G591-K595 PolarHBondContact O-N 3.42Å; R592-K595 PolarHBondContact O-N 3.16Å; R592-K595 VanDerWaalsContact O-N 3.17Å; L593-K595 VanDerWaalsContact C-N 3.35Å; L593-K595 PolarHBondContact O-N 3.1Å; K595-T598 WeakPolarHBondContact CA-OG1 3.25Å
596A41.3Very low43.2Very low64 Ų64106.3 Ų106.353%0.52953%0.531SS..Hα-helixtrans-73.9-30174.900000112.7R592 L593R592-A596 PolarHBondContact O-N 2.74Å; L593-A596 PolarHBondContact O-N 2.76Å
597L32.4Very low44.5Very low81 Ų81112.5 Ų112.542%0.42454%0.542SS..Hα-helixtrans-95.8-2.8179.2-62.6175.2000114.2L593 R594L593-L597 HydrophobicContact CD2-CD1 4.27Å; L593-L597 HydrophobicContact CG-CD1 3.92Å; L593-L597 HydrophobicContact CG-CG 4.48Å; L593-L597 WeakPolarHBondContact O-CB 3.31Å; L593-L597 VanDerWaalsContact O-CG 3.31Å; L593-L597 WeakPolarHBondContact O-CG 3.27Å; L593-L597 PolarHBondContact O-N 2.92Å; R594-L597 CarbonylContact O-C 3.49Å; R594-L597 PolarHBondContact O-N 2.99Å
598T41.2Very low46.2Very low67 Ų67102.1 Ų102.141%0.41150%0.503SS..SBendtrans-89.4126.2168.2130000108.9R594 K595R594-T598 PolarHBondContact O-N 3.14Å; R594-T598 PolarHBondContact O-OG1 2.71Å; K595-T598 WeakPolarHBondContact CA-OG1 3.25Å
599P51.8Low47.7Very low12 Ų1294 Ų948%0.07848%0.478CS..  trans-67.3142.5178.7-17.628.2000112.4N601 V602 L651 G653P599-N601 PolarHBondContact O-N 2.86Å; P599-V602 HydrophobicContact CB-CB 4.34Å; P599-V602 HydrophobicContact CB-CG2 3.99Å; P599-V602 HydrophobicContact CG-CB 4.29Å; P599-V602 HydrophobicContact CG-CG2 3.84Å; P599-V602 PolarHBondContact O-N 3.43Å; P599-L651 HydrophobicContact CG-CB 3.47Å; P599-L651 VanDerWaalsContact CG-CB 3.47Å; P599-G653 WeakPolarHBondContact CB-O 3.24Å; P599-G653 WeakPolarHBondContact CG-O 3.36Å
600K57.3Low48.8Very low163 Ų16390.5 Ų90.571%0.70946%0.461SS*.THydrogen-bonded Turntrans-57-12.9173.3-61.3179.2-178.2174.80113.8D410D410-K600 IonicContact OD2-NZ 3.64Å; D410-K600 PolarHBondContact OD2-NZ 2.87Å
601N62.4Low50.2Low27 Ų2790.5 Ų90.514%0.14447%0.468CS..THydrogen-bonded Turntrans-113.518.9-179.3-64.9-17.5000113.2P599 V609 R612 S654P599-N601 PolarHBondContact O-N 2.86Å; N601-V609 HydrophobicContact CB-CB 4.41Å; N601-V609 WeakPolarHBondContact O-CB 3.01Å; N601-V609 WeakPolarHBondContact O-CG2 3.24Å; N601-V609 PolarHBondContact O-N 3.32Å; N601-R612 VanDerWaalsContact OD1-CD 3.26Å; N601-R612 WeakPolarHBondContact OD1-CD 3.14Å; N601-S654 PolarHBondContact ND2-OG 3Å
602V56.3Low51.8Low19 Ų1996.3 Ų96.312%0.11548%0.477CS..BIsolated β-bridgetrans-124.2125.7175.3173.50000108.8P599 R607 L608 F635 L651P599-V602 HydrophobicContact CB-CB 4.34Å; P599-V602 HydrophobicContact CB-CG2 3.99Å; P599-V602 HydrophobicContact CG-CB 4.29Å; P599-V602 HydrophobicContact CG-CG2 3.84Å; P599-V602 PolarHBondContact O-N 3.43Å; V602-R607 WeakPolarHBondContact CA-O 3.36Å; V602-L608 HydrophobicContact CG2-CD1 4.25Å; V602-F635 HydrophobicContact CG2-CZ 4.45Å; V602-L651 HydrophobicContact CG1-CD1 4.27Å
603V60.8Low53.8Low67 Ų6787.3 Ų87.341%0.40644%0.444SS..  trans-73.3161.4177.6-103.20000110.8D605 G606 R607V603-D605 WeakPolarHBondContact CB-OD1 3.3Å; V603-D605 WeakPolarHBondContact CG2-OD1 3.49Å; V603-D605 PolarHBondContact O-N 3.18Å; V603-G606 PolarHBondContact O-N 2.94Å; V603-R607 HydrophobicContact CG2-CB 3.85Å; V603-R607 WeakPolarHBondContact CG2-O 3.38Å; V603-R607 PolarHBondContact N-O 2.93Å
604P51.8Low56.1Low136 Ų13688.1 Ų88.188%0.88344%0.439SS*.THydrogen-bonded Turntrans-58.9-18.4-173.5-27.136000116G606P604-G606 VanDerWaalsContact C-N 3.32Å
605D59.2Low58.3Low102 Ų10286 Ų8655%0.54544%0.435SS..THydrogen-bonded Turntrans-83.6-1.6174.763.6-7.6000113.7V603 R607V603-D605 WeakPolarHBondContact CB-OD1 3.3Å; V603-D605 WeakPolarHBondContact CG2-OD1 3.49Å; V603-D605 PolarHBondContact O-N 3.18Å; D605-R607 PolarHBondContact OD1-N 3.17Å; D605-R607 VanDerWaalsContact OD1-N 3.14Å; D605-R607 VanDerWaalsContact OD2-CD 3.29Å; D605-R607 WeakPolarHBondContact OD2-CD 3.22Å; D605-R607 IonicContact OD2-NE 3.78Å
606G54.8Low59.9Low29 Ų2978.5 Ų78.530%0.29940%0.404SS..SBendtrans91.1-1.7179.500000114.9V603 P604V603-G606 PolarHBondContact O-N 2.94Å; P604-G606 VanDerWaalsContact C-N 3.32Å
607R59.7Low61.1Low170 Ų17084.1 Ų84.164%0.64241%0.412SS*.  trans-77.8143.5-177.5-62179.9178.4-179.3-1.8112.4V602 V603 D605V602-R607 WeakPolarHBondContact CA-O 3.36Å; V603-R607 HydrophobicContact CG2-CB 3.85Å; V603-R607 WeakPolarHBondContact CG2-O 3.38Å; V603-R607 PolarHBondContact N-O 2.93Å; D605-R607 PolarHBondContact OD1-N 3.17Å; D605-R607 VanDerWaalsContact OD1-N 3.14Å; D605-R607 VanDerWaalsContact OD2-CD 3.29Å; D605-R607 WeakPolarHBondContact OD2-CD 3.22Å; D605-R607 IonicContact OD2-NE 3.78Å
608L63.1Low62.9Low13 Ų1386.7 Ų86.77%0.06842%0.421CS..BIsolated β-bridgetrans-77.5131.1179.5-16982.7000111.9V602 V610 L613 P631 F635 L675V602-L608 HydrophobicContact CG2-CD1 4.25Å; L608-V610 PolarHBondContact O-N 3.49Å; L608-V610 VanDerWaalsContact O-N 3.15Å; L608-L613 HydrophobicContact CD2-CD2 4.01Å; L608-P631 HydrophobicContact CD2-CB 3.84Å; L608-F635 HydrophobicContact CB-CG 4.44Å; L608-F635 HydrophobicContact CD1-CD2 3.98Å; L608-F635 HydrophobicContact CD1-CE2 4.11Å; L608-L675 HydrophobicContact CD2-CD2 3.95Å
609V62.7Low64.2Low51 Ų5184.3 Ų84.331%0.30941%0.406SS..  trans-78.895170.1-178.50000109.1N601 D611 R612N601-V609 HydrophobicContact CB-CB 4.41Å; N601-V609 WeakPolarHBondContact O-CB 3.01Å; N601-V609 WeakPolarHBondContact O-CG2 3.24Å; N601-V609 PolarHBondContact O-N 3.32Å; V609-D611 PolarHBondContact O-N 2.99Å; V609-R612 HydrophobicContact CG1-CG 4.45Å; V609-R612 PolarHBondContact O-N 3.03Å
610V60.6Low64.9Low45 Ų4590.1 Ų90.127%0.27344%0.436SS..G310 helixtrans-58-41.1-169.1175.50000114L608 R612 L613 P631 Y677L608-V610 PolarHBondContact O-N 3.49Å; L608-V610 VanDerWaalsContact O-N 3.15Å; V610-R612 PolarHBondContact O-N 2.92Å; V610-L613 PolarHBondContact O-N 3.18Å; V610-P631 HydrophobicContact CG1-CB 4.33Å; V610-P631 HydrophobicContact CG1-CG 3.81Å; V610-P631 HydrophobicContact CG2-CB 4.23Å; V610-P631 HydrophobicContact CG2-CG 4.48Å; V610-Y677 WeakPolarHBondContact CG1-OH 3.49Å
611D61Low65.7Low151 Ų15186.7 Ų86.781%0.80743%0.426SS*.G310 helixtrans-68-3.5-171.6-64.8-45.1000115.2V609V609-D611 PolarHBondContact O-N 2.99Å
612R66.5Low66.7Low165 Ų16586.2 Ų86.262%0.62342%0.424SS*.G310 helixtrans-114.112.3-175.7-64.5-173.9174.9-167-1.6114.7N601 V609 V610N601-R612 VanDerWaalsContact OD1-CD 3.26Å; N601-R612 WeakPolarHBondContact OD1-CD 3.14Å; V609-R612 HydrophobicContact CG1-CG 4.45Å; V609-R612 PolarHBondContact O-N 3.03Å; V610-R612 PolarHBondContact O-N 2.92Å
613L78.2Confident68.1Low12 Ų1286.7 Ų86.76%0.06343%0.425CS..PPolyproline II helixtrans-59.6136.2171.8-69.7-172000111.6L608 V610 P631 S654 L675 Y677 L742L608-L613 HydrophobicContact CD2-CD2 4.01Å; V610-L613 PolarHBondContact O-N 3.18Å; L613-P631 HydrophobicContact CD1-CB 3.93Å; L613-P631 HydrophobicContact CD1-CG 3.92Å; L613-S654 VanDerWaalsContact CD2-CB 3.46Å; L613-L675 HydrophobicContact CD1-CB 4.37Å; L613-L675 HydrophobicContact CD2-CB 3.85Å; L613-Y677 HydrophobicContact CB-CD2 3.56Å; L613-Y677 HydrophobicContact CB-CE2 3.68Å; L613-Y677 HydrophobicContact CB-CG 4.39Å; L613-Y677 HydrophobicContact CD1-CD2 4.17Å; L613-Y677 HydrophobicContact CD1-CE1 4.34Å; L613-Y677 HydrophobicContact CD1-CE2 3.88Å; L613-Y677 HydrophobicContact CG-CD2 4.41Å; L613-Y677 HydrophobicContact CG-CE2 4.14Å; L613-L742 HydrophobicContact CD1-CD1 3.66Å
614R81.3Confident69.4Low120 Ų12084.9 Ų84.945%0.45341%0.413SS..EExtended strand (participates in β ladder)trans-64.7142.2173.8-77.5-178.1173.6152.3-8.8110.7E674 V676 Y677R614-E674 WeakPolarHBondContact CD-OE1 3.34Å; R614-E674 IonicContact CZ-OE1 3.87Å; R614-E674 IonicContact NE-OE1 2.8Å; R614-E674 IonicContact NH1-OE1 3.74Å; R614-E674 PolarHBondContact NH1-OE1 3.29Å; R614-V676 CarbonylContact O-C 3.56Å; R614-V676 WeakPolarHBondContact O-CA 3.35Å; R614-Y677 PolarHBondContact O-N 3.02Å
615K81Confident71Confident136 Ų13678.5 Ų78.559%0.59137%0.372SS*.EExtended strand (participates in β ladder)trans-89.4132.7170-64.9177.8179.3-179.70109.5Y677 R740K615-Y677 CarbonylContact C-O 3.52Å; K615-Y677 VanDerWaalsContact CA-O 3.3Å; K615-Y677 WeakPolarHBondContact CA-O 3.44Å; K615-R740 VanDerWaalsContact NZ-NH2 3.16Å
616T74.4Confident72.3Confident19 Ų1978.4 Ų78.412%0.11736%0.364CS..EExtended strand (participates in β ladder)trans-118.9145.3169.2-175.70000111.2H618 V622 V676 Y677 V678T616-H618 PolarHBondContact OG1-N 3.13Å; T616-H618 PolarHBondContact OG1-O 3.42Å; T616-V622 HydrophobicContact CG2-CG2 4.45Å; T616-V676 HydrophobicContact CG2-CB 4.05Å; T616-V676 HydrophobicContact CG2-CG2 3.75Å; T616-Y677 PolarHBondContact N-O 3.19Å; T616-V678 HydrophobicContact CG2-CG2 3.93Å
617R67.4Low73.5Confident181 Ų18183.2 Ų83.268%0.68338%0.383SS*.  trans-102.1-13.5164.7-63.9-177.8-179176.21.8112.3
618H68.4Low74.7Confident135 Ų13579.7 Ų79.763%0.62538%0.377SS*.  trans-89.3131.8179.1-54.1-83.5000109.3T616 V622T616-H618 PolarHBondContact OG1-N 3.13Å; T616-H618 PolarHBondContact OG1-O 3.42Å; H618-V622 WeakPolarHBondContact O-CG2 3.23Å
619L68.6Low75.7Confident17 Ų1779.9 Ų79.99%0.08938%0.377CS..  trans-111.4-4-174.4-86164.2000114N621 V622 I624 V678 A682 V683 S686L619-N621 PolarHBondContact O-N 2.96Å; L619-V622 HydrophobicContact CD2-CB 4.12Å; L619-V622 HydrophobicContact CD2-CG1 4.34Å; L619-V622 PolarHBondContact O-N 2.85Å; L619-V622 VanDerWaalsContact O-N 3.15Å; L619-I624 HydrophobicContact CD2-CD1 3.92Å; L619-V678 HydrophobicContact CD1-CG1 4.49Å; L619-V678 HydrophobicContact CD2-CG1 3.8Å; L619-V678 HydrophobicContact CG-CG1 4.17Å; L619-A682 VanDerWaalsContact CD1-C 3.4Å; L619-A682 HydrophobicContact CD1-CB 4.25Å; L619-A682 WeakPolarHBondContact CD1-O 3.48Å; L619-V683 HydrophobicContact CD1-CB 4.43Å; L619-V683 HydrophobicContact CD1-CG2 4.22Å; L619-V683 HydrophobicContact CD2-CG2 4.35Å; L619-S686 VanDerWaalsContact CD1-CB 3.49Å
620N66.9Low76.7Confident135 Ų13579.9 Ų79.972%0.72238%0.38SS*.THydrogen-bonded Turntrans-61126.8171.6-63.511.8000107.8V622N620-V622 PolarHBondContact O-N 3.02Å
621N73.8Confident77.8Confident90 Ų9078.3 Ų78.348%0.48137%0.37SS..THydrogen-bonded Turntrans5926.3-176.8-52-22.2000115.1L619 M746L619-N621 PolarHBondContact O-N 2.96Å; N621-M746 VanDerWaalsContact CB-O 3.27Å; N621-M746 WeakPolarHBondContact CB-O 3.49Å; N621-M746 WeakPolarHBondContact O-CE 3.36Å; N621-M746 PolarHBondContact O-N 3.38Å
622V83.7Confident78.8Confident18 Ų1871.9 Ų71.911%0.10934%0.34CS..EExtended strand (participates in β ladder)trans-107.5117.8171.4-175.10000110.2T616 H618 L619 N620 I624 V676 V678 I744 K745T616-V622 HydrophobicContact CG2-CG2 4.45Å; H618-V622 WeakPolarHBondContact O-CG2 3.23Å; L619-V622 HydrophobicContact CD2-CB 4.12Å; L619-V622 HydrophobicContact CD2-CG1 4.34Å; L619-V622 PolarHBondContact O-N 2.85Å; L619-V622 VanDerWaalsContact O-N 3.15Å; N620-V622 PolarHBondContact O-N 3.02Å; V622-I624 HydrophobicContact CG1-CD1 4.4Å; V622-V676 HydrophobicContact CG1-CG2 4.16Å; V622-V678 HydrophobicContact CG1-CG2 3.96Å; V622-I744 WeakPolarHBondContact CA-O 3.39Å; V622-K745 HydrophobicContact CG2-CB 4.07Å; V622-K745 HydrophobicContact CG2-CG 4.15Å
623L86.1Confident79.8Confident28 Ų2868.3 Ų68.315%0.14733%0.331CS..EExtended strand (participates in β ladder)trans-80130.2165.1-177.275000108.5G743 I744 M746 L764 R770L623-G743 CarbonylContact O-C 3.46Å; L623-G743 WeakPolarHBondContact O-CA 3.33Å; L623-I744 PolarHBondContact N-O 3.45Å; L623-I744 PolarHBondContact O-N 3.36Å; L623-M746 HydrophobicContact CB-CE 4.1Å; L623-L764 HydrophobicContact CD2-CB 4.15Å; L623-L764 HydrophobicContact CD2-CD1 3.92Å; L623-L764 HydrophobicContact CD2-CD2 3.97Å; L623-L764 HydrophobicContact CD2-CG 4.22Å; L623-R770 HydrophobicContact CD1-CG 4.49Å; L623-R770 HydrophobicContact CD2-CG 4.34Å
624I87.6Confident80.2Confident30 Ų3067.8 Ų67.815%0.15433%0.328CS..EExtended strand (participates in β ladder)trans-82129.3168.5-59.4-57000109L619 V622 V678 V683 M741L619-I624 HydrophobicContact CD2-CD1 3.92Å; V622-I624 HydrophobicContact CG1-CD1 4.4Å; I624-V678 HydrophobicContact CD1-CB 4.19Å; I624-V678 HydrophobicContact CD1-CG1 4.37Å; I624-V678 HydrophobicContact CD1-CG2 3.89Å; I624-V683 HydrophobicContact CD1-CG2 3.86Å; I624-V683 HydrophobicContact CG1-CG1 4.38Å; I624-V683 HydrophobicContact CG1-CG2 4.23Å; I624-M741 HydrophobicContact CG2-CE 3.59Å; I624-M741 HydrophobicContact CG2-SD 4.37Å
625V86.9Confident80.6Confident1 Ų162.4 Ų62.41%0.00631%0.308CS..BIsolated β-bridgetrans-87.3147.5180-173.10000109.7L629 V634 L742 I744 L769V625-L629 HydrophobicContact CG1-CD1 4.09Å; V625-V634 HydrophobicContact CG1-CG2 3.76Å; V625-V634 HydrophobicContact CG2-CG1 4.42Å; V625-L742 HydrophobicContact CB-CB 4.47Å; V625-L742 HydrophobicContact CB-CG 4.45Å; V625-L742 HydrophobicContact CG2-CG 4.37Å; V625-L742 PolarHBondContact N-O 3.3Å; V625-I744 HydrophobicContact CG2-CD1 3.54Å; V625-I744 HydrophobicContact CG2-CG1 3.77Å; V625-L769 WeakPolarHBondContact CA-O 3.2Å; V625-L769 HydrophobicContact CG1-CB 4.34Å; V625-L769 HydrophobicContact CG1-CD2 3.99Å; V625-L769 WeakPolarHBondContact CG1-O 3.39Å
626R85.1Confident80.9Confident101 Ų10160.3 Ų60.338%0.38130%0.303SS..PPolyproline II helixtrans-50136.3168.255.7-174.6-91-175.4-4.3111.9D628 L629 G768 L769R626-D628 WeakPolarHBondContact CB-OD1 3.28Å; R626-D628 VanDerWaalsContact CG-OD1 3.29Å; R626-D628 WeakPolarHBondContact CG-OD1 3.48Å; R626-D628 IonicContact CZ-OD1 3.11Å; R626-D628 IonicContact CZ-OD2 3.59Å; R626-D628 IonicContact NE-OD1 2.78Å; R626-D628 PolarHBondContact NE-OD1 3.48Å; R626-D628 IonicContact NE-OD2 3.3Å; R626-D628 PolarHBondContact NE-OD2 3.45Å; R626-D628 IonicContact NH2-OD1 3.45Å; R626-D628 IonicContact NH2-OD2 2.76Å; R626-D628 PolarHBondContact NH2-OD2 3.25Å; R626-D628 PolarHBondContact O-N 3.05Å; R626-L629 HydrophobicContact CG-CD1 3.53Å; R626-L629 HydrophobicContact CG-CG 3.89Å; R626-G768 WeakPolarHBondContact CD-O 3.43Å; R626-L769 PolarHBondContact N-O 3.3Å; R626-L769 VanDerWaalsContact N-O 3.16Å
627N81.1Confident81.6Confident130 Ų13062.2 Ų62.270%0.69531%0.311SS*.THydrogen-bonded Turntrans-73.5-7.7-165.2-68.5-39.5000115.2M741N627-M741 WeakPolarHBondContact OD1-CE 3.25Å
628D84.3Confident82.7Confident96 Ų9653.6 Ų53.651%0.51328%0.278SS..THydrogen-bonded Turntrans-90.5-5.8-176.866.2-56.1000113.8R626R626-D628 WeakPolarHBondContact CB-OD1 3.28Å; R626-D628 VanDerWaalsContact CG-OD1 3.29Å; R626-D628 WeakPolarHBondContact CG-OD1 3.48Å; R626-D628 IonicContact CZ-OD1 3.11Å; R626-D628 IonicContact CZ-OD2 3.59Å; R626-D628 IonicContact NE-OD1 2.78Å; R626-D628 PolarHBondContact NE-OD1 3.48Å; R626-D628 IonicContact NE-OD2 3.3Å; R626-D628 PolarHBondContact NE-OD2 3.45Å; R626-D628 IonicContact NH2-OD1 3.45Å; R626-D628 IonicContact NH2-OD2 2.76Å; R626-D628 PolarHBondContact NH2-OD2 3.25Å; R626-D628 PolarHBondContact O-N 3.05Å
629L84.3Confident83.8Confident16 Ų1648.2 Ų48.28%0.08426%0.255CS..  trans-99.2126.8-180-61.8175.3000111.8V625 R626 Q633 V634 Q637 L769V625-L629 HydrophobicContact CG1-CD1 4.09Å; R626-L629 HydrophobicContact CG-CD1 3.53Å; R626-L629 HydrophobicContact CG-CG 3.89Å; L629-Q633 HydrophobicContact CD2-CB 4.29Å; L629-V634 HydrophobicContact CB-CG2 3.68Å; L629-V634 HydrophobicContact CD1-CG2 4.17Å; L629-Q637 VanDerWaalsContact CD1-OE1 3.25Å; L629-L769 HydrophobicContact CD1-CD2 3.69Å
630S83.5Confident84.9Confident51 Ų5150.1 Ų50.136%0.35727%0.273SS..  trans-68.2153.8167.368.20000111.2G632 Q633 V634S630-G632 PolarHBondContact O-N 2.79Å; S630-G632 VanDerWaalsContact O-N 3.1Å; S630-Q633 VanDerWaalsContact CB-OE1 3.29Å; S630-Q633 PolarHBondContact O-N 3.33Å; S630-Q633 WeakPolarHBondContact OG-CG 3.47Å; S630-Q633 PolarHBondContact OG-N 3.31Å; S630-Q633 PolarHBondContact OG-OE1 3.37Å; S630-V634 PolarHBondContact O-N 2.94Å
631P84Confident86.1Confident12 Ų1243.8 Ų43.88%0.07824%0.239CC..Hα-helixtrans-59.5-25177.8-27.537.3000114.7L608 V610 L613 F635 L675 L742L608-P631 HydrophobicContact CD2-CB 3.84Å; V610-P631 HydrophobicContact CG1-CB 4.33Å; V610-P631 HydrophobicContact CG1-CG 3.81Å; V610-P631 HydrophobicContact CG2-CB 4.23Å; V610-P631 HydrophobicContact CG2-CG 4.48Å; L613-P631 HydrophobicContact CD1-CB 3.93Å; L613-P631 HydrophobicContact CD1-CG 3.92Å; P631-F635 VanDerWaalsContact O-CB 3.28Å; P631-F635 WeakPolarHBondContact O-CB 3.22Å; P631-F635 PolarHBondContact O-N 3Å; P631-L675 HydrophobicContact CB-CD2 4.19Å; P631-L675 WeakPolarHBondContact O-CD2 3.35Å; P631-L742 HydrophobicContact CB-CD1 4.24Å; P631-L742 HydrophobicContact CB-CD2 4.17Å; P631-L742 HydrophobicContact CG-CD1 3.89Å; P631-L742 HydrophobicContact CG-CD2 3.84Å; P631-L742 HydrophobicContact CG-CG 4.49Å
632G82.4Confident86.9Confident17 Ų1739.5 Ų39.518%0.17522%0.216CC..Hα-helixtrans-65.5-51.1169.900000112.1S630 V634 F635 D636S630-G632 PolarHBondContact O-N 2.79Å; S630-G632 VanDerWaalsContact O-N 3.1Å; G632-V634 VanDerWaalsContact C-N 3.3Å; G632-V634 PolarHBondContact O-N 3.24Å; G632-F635 WeakPolarHBondContact O-CB 3.46Å; G632-F635 PolarHBondContact O-N 2.7Å; G632-F635 VanDerWaalsContact O-N 3.13Å; G632-D636 PolarHBondContact O-N 3.29Å
633Q86.4Confident87.1Confident90 Ų9045.3 Ų45.342%0.42124%0.24SC..Hα-helixtrans-59.2-40.2176.8-71.2161.6-70.600112.2L629 S630 D636 Q637L629-Q633 HydrophobicContact CD2-CB 4.29Å; S630-Q633 VanDerWaalsContact CB-OE1 3.29Å; S630-Q633 PolarHBondContact O-N 3.33Å; S630-Q633 WeakPolarHBondContact OG-CG 3.47Å; S630-Q633 PolarHBondContact OG-N 3.31Å; S630-Q633 PolarHBondContact OG-OE1 3.37Å; Q633-D636 PolarHBondContact O-N 2.95Å; Q633-Q637 WeakPolarHBondContact O-CB 3.46Å; Q633-Q637 VanDerWaalsContact O-CG 3.25Å; Q633-Q637 WeakPolarHBondContact O-CG 3.12Å; Q633-Q637 PolarHBondContact O-N 3.26Å
634V87.7Confident87.3Confident0 Ų049.9 Ų49.90%026%0.261CS..Hα-helixtrans-62.7-45175.3174.70000111.5V625 L629 S630 G632 D636 Q637 I638 L675 L742 I744 L769V625-V634 HydrophobicContact CG1-CG2 3.76Å; V625-V634 HydrophobicContact CG2-CG1 4.42Å; L629-V634 HydrophobicContact CB-CG2 3.68Å; L629-V634 HydrophobicContact CD1-CG2 4.17Å; S630-V634 PolarHBondContact O-N 2.94Å; G632-V634 VanDerWaalsContact C-N 3.3Å; G632-V634 PolarHBondContact O-N 3.24Å; V634-D636 VanDerWaalsContact C-N 3.35Å; V634-D636 PolarHBondContact O-N 2.93Å; V634-Q637 PolarHBondContact O-N 3.46Å; V634-I638 HydrophobicContact CG1-CD1 3.92Å; V634-I638 VanDerWaalsContact O-CG1 3.29Å; V634-I638 WeakPolarHBondContact O-CG1 3.49Å; V634-I638 PolarHBondContact O-N 3.44Å; V634-L675 HydrophobicContact CB-CD2 4.22Å; V634-L675 HydrophobicContact CG1-CD2 4Å; V634-L675 HydrophobicContact CG1-CG 4.27Å; V634-L742 HydrophobicContact CB-CD2 4.18Å; V634-L742 HydrophobicContact CG2-CD2 3.55Å; V634-I744 HydrophobicContact CG1-CD1 3.98Å; V634-I744 HydrophobicContact CG1-CG1 4.25Å; V634-L769 HydrophobicContact CB-CD2 4.19Å; V634-L769 HydrophobicContact CG1-CD1 4.3Å; V634-L769 HydrophobicContact CG1-CD2 3.89Å; V634-L769 HydrophobicContact CG2-CD2 3.93Å
635F88.4Confident87.2Confident7 Ų751.6 Ų51.63%0.03127%0.268CS..Hα-helixtrans-62.4-41.9177.2-173.4-88.8000111.8V602 L608 P631 G632 T639 L651 F656 L675V602-F635 HydrophobicContact CG2-CZ 4.45Å; L608-F635 HydrophobicContact CB-CG 4.44Å; L608-F635 HydrophobicContact CD1-CD2 3.98Å; L608-F635 HydrophobicContact CD1-CE2 4.11Å; P631-F635 VanDerWaalsContact O-CB 3.28Å; P631-F635 WeakPolarHBondContact O-CB 3.22Å; P631-F635 PolarHBondContact O-N 3Å; G632-F635 WeakPolarHBondContact O-CB 3.46Å; G632-F635 PolarHBondContact O-N 2.7Å; G632-F635 VanDerWaalsContact O-N 3.13Å; F635-T639 VanDerWaalsContact O-CB 3.31Å; F635-T639 WeakPolarHBondContact O-CB 3.41Å; F635-T639 PolarHBondContact O-N 2.95Å; F635-T639 PolarHBondContact O-OG1 3.48Å; F635-L651 HydrophobicContact CE1-CD2 4.45Å; F635-L651 HydrophobicContact CE2-CD2 4.18Å; F635-L651 HydrophobicContact CZ-CD1 3.96Å; F635-L651 HydrophobicContact CZ-CD2 3.56Å; F635-L651 HydrophobicContact CZ-CG 4.35Å; F635-F656 HydrophobicContact CD1-CZ 4.09Å; F635-F656 HydrophobicContact CD2-CE1 4.33Å; F635-F656 AromaticContact CD2-CE2 3.63Å; F635-F656 HydrophobicContact CD2-CE2 3.63Å; F635-F656 AromaticContact CD2-CZ 3.39Å; F635-F656 HydrophobicContact CD2-CZ 3.39Å; F635-F656 HydrophobicContact CE1-CE1 4.36Å; F635-F656 HydrophobicContact CE1-CZ 4.12Å; F635-F656 AromaticContact CE2-CE1 3.93Å; F635-F656 HydrophobicContact CE2-CE1 3.93Å; F635-F656 AromaticContact CE2-CE2 3.84Å; F635-F656 HydrophobicContact CE2-CE2 3.84Å; F635-F656 AromaticContact CE2-CZ 3.42Å; F635-F656 HydrophobicContact CE2-CZ 3.42Å; F635-F656 VanDerWaalsContact CE2-CZ 3.42Å; F635-F656 HydrophobicContact CG-CE2 4.28Å; F635-F656 AromaticContact CG-CZ 3.75Å; F635-F656 HydrophobicContact CG-CZ 3.75Å; F635-F656 AromaticContact CZ-CE1 3.96Å; F635-F656 HydrophobicContact CZ-CE1 3.96Å; F635-F656 AromaticContact CZ-CZ 3.81Å; F635-F656 HydrophobicContact CZ-CZ 3.81Å; F635-F656 WeakPolarHBondContact O-CZ 3.46Å; F635-L675 HydrophobicContact CB-CD2 4.25Å
636D86.9Confident87.1Confident92 Ų9256.7 Ų56.749%0.49230%0.304SS..Hα-helixtrans-66-41.3176.7-67.9-26.8000112G632 Q633 V634 T639 A640G632-D636 PolarHBondContact O-N 3.29Å; Q633-D636 PolarHBondContact O-N 2.95Å; V634-D636 VanDerWaalsContact C-N 3.35Å; V634-D636 PolarHBondContact O-N 2.93Å; D636-T639 WeakPolarHBondContact O-CB 3.3Å; D636-T639 PolarHBondContact O-N 2.96Å; D636-A640 PolarHBondContact O-N 2.98Å
637Q90.2Very high87.1Confident60 Ų6052.1 Ų52.128%0.2829%0.287SS..Hα-helixtrans-66.6-43177.1-75.2170.3-8.500112.5L629 Q633 V634 T639 A640 A641 A767 L769L629-Q637 VanDerWaalsContact CD1-OE1 3.25Å; Q633-Q637 WeakPolarHBondContact O-CB 3.46Å; Q633-Q637 VanDerWaalsContact O-CG 3.25Å; Q633-Q637 WeakPolarHBondContact O-CG 3.12Å; Q633-Q637 PolarHBondContact O-N 3.26Å; V634-Q637 PolarHBondContact O-N 3.46Å; Q637-T639 VanDerWaalsContact C-N 3.32Å; Q637-T639 PolarHBondContact O-N 3.03Å; Q637-A640 PolarHBondContact O-N 3.47Å; Q637-A641 PolarHBondContact O-N 2.84Å; Q637-A767 HydrophobicContact CB-CB 4.09Å; Q637-A767 PolarHBondContact OE1-O 2.77Å; Q637-L769 HydrophobicContact CB-CD2 4.38Å
638I91Very high87.4Confident0 Ų052.5 Ų52.50%028%0.279CS..Hα-helixtrans-61.8-43.2171.9-64.3169.1000110.1V634 A640 A641 L642 F656 L673 L675 I744 L769V634-I638 HydrophobicContact CG1-CD1 3.92Å; V634-I638 VanDerWaalsContact O-CG1 3.29Å; V634-I638 WeakPolarHBondContact O-CG1 3.49Å; V634-I638 PolarHBondContact O-N 3.44Å; I638-A640 VanDerWaalsContact C-N 3.29Å; I638-A640 PolarHBondContact O-N 3.34Å; I638-A641 PolarHBondContact O-N 3.24Å; I638-L642 HydrophobicContact CG2-CD1 3.74Å; I638-L642 HydrophobicContact CG2-CG 4.04Å; I638-L642 WeakPolarHBondContact O-CB 3.43Å; I638-L642 VanDerWaalsContact O-CG 3.27Å; I638-L642 WeakPolarHBondContact O-CG 3.33Å; I638-L642 PolarHBondContact O-N 2.85Å; I638-F656 HydrophobicContact CB-CD2 4.46Å; I638-F656 HydrophobicContact CB-CE2 3.8Å; I638-F656 HydrophobicContact CB-CZ 4.09Å; I638-F656 HydrophobicContact CD1-CE2 4.13Å; I638-F656 HydrophobicContact CG2-CD2 3.66Å; I638-F656 HydrophobicContact CG2-CE1 4.49Å; I638-F656 HydrophobicContact CG2-CE2 3.49Å; I638-F656 VanDerWaalsContact CG2-CE2 3.49Å; I638-F656 HydrophobicContact CG2-CG 4.26Å; I638-F656 HydrophobicContact CG2-CZ 3.94Å; I638-L673 HydrophobicContact CG2-CD1 3.85Å; I638-L675 HydrophobicContact CD1-CD1 4Å; I638-I744 HydrophobicContact CD1-CD1 3.84Å; I638-I744 HydrophobicContact CD1-CG1 4.17Å; I638-L769 HydrophobicContact CD1-CD1 4.11Å; I638-L769 HydrophobicContact CG1-CD1 3.55Å
639T90.2Very high87.6Confident22 Ų2250.7 Ų50.714%0.13527%0.266CS..Hα-helixtrans-58.8-40.6177.3-620000111.8F635 D636 Q637 K643 F649 F656F635-T639 VanDerWaalsContact O-CB 3.31Å; F635-T639 WeakPolarHBondContact O-CB 3.41Å; F635-T639 PolarHBondContact O-N 2.95Å; F635-T639 PolarHBondContact O-OG1 3.48Å; D636-T639 WeakPolarHBondContact O-CB 3.3Å; D636-T639 PolarHBondContact O-N 2.96Å; Q637-T639 VanDerWaalsContact C-N 3.32Å; Q637-T639 PolarHBondContact O-N 3.03Å; T639-K643 HydrophobicContact CG2-CD 4.4Å; T639-K643 VanDerWaalsContact O-CG 3.27Å; T639-K643 WeakPolarHBondContact O-CG 3.46Å; T639-K643 PolarHBondContact O-N 2.91Å; T639-F649 HydrophobicContact CG2-CZ 3.98Å; T639-F656 VanDerWaalsContact OG1-CE1 3.28Å; T639-F656 WeakPolarHBondContact OG1-CE1 3.35Å; T639-F656 WeakPolarHBondContact OG1-CZ 3.39Å
640A91.5Very high87.8Confident57 Ų5752.6 Ų52.647%0.47128%0.279SS..Hα-helixtrans-66.8-48.9175.700000111.9D636 Q637 I638 L642 K643 Q644D636-A640 PolarHBondContact O-N 2.98Å; Q637-A640 PolarHBondContact O-N 3.47Å; I638-A640 VanDerWaalsContact C-N 3.29Å; I638-A640 PolarHBondContact O-N 3.34Å; A640-L642 PolarHBondContact O-N 3.25Å; A640-K643 PolarHBondContact O-N 2.99Å; A640-Q644 WeakPolarHBondContact O-CB 3.3Å; A640-Q644 PolarHBondContact O-N 3.18Å
641A92.1Very high87.8Confident2 Ų252.1 Ų52.12%0.01727%0.272CS..Hα-helixtrans-62.4-41.3179.700000112.8Q637 I638 K643 Q644 Q645 I763 L766 A767Q637-A641 PolarHBondContact O-N 2.84Å; I638-A641 PolarHBondContact O-N 3.24Å; A641-K643 PolarHBondContact O-N 3.32Å; A641-Q644 PolarHBondContact O-N 3.47Å; A641-Q645 WeakPolarHBondContact O-CG 3.14Å; A641-Q645 PolarHBondContact O-N 2.82Å; A641-I763 HydrophobicContact CB-CG2 4.06Å; A641-I763 WeakPolarHBondContact CB-O 3.39Å; A641-L766 HydrophobicContact CB-CB 3.92Å; A641-A767 HydrophobicContact CB-CB 3.98Å
642L91Very high87.4Confident0 Ų056.9 Ų56.90%029%0.291CS..Hα-helixtrans-61.7-42.8175.3-71.5174000112I638 A640 Q645 S646 I647 F649 F656 I763I638-L642 HydrophobicContact CG2-CD1 3.74Å; I638-L642 HydrophobicContact CG2-CG 4.04Å; I638-L642 WeakPolarHBondContact O-CB 3.43Å; I638-L642 VanDerWaalsContact O-CG 3.27Å; I638-L642 WeakPolarHBondContact O-CG 3.33Å; I638-L642 PolarHBondContact O-N 2.85Å; A640-L642 PolarHBondContact O-N 3.25Å; L642-Q645 PolarHBondContact O-N 2.9Å; L642-S646 PolarHBondContact O-N 3.31Å; L642-I647 HydrophobicContact CD2-CB 4.12Å; L642-I647 HydrophobicContact CD2-CD1 3.94Å; L642-I647 HydrophobicContact CD2-CG2 4.02Å; L642-I647 PolarHBondContact O-N 3.36Å; L642-F649 HydrophobicContact CB-CD1 3.7Å; L642-F649 HydrophobicContact CB-CE1 3.79Å; L642-F649 HydrophobicContact CD1-CB 4.21Å; L642-F649 HydrophobicContact CD1-CD1 3.81Å; L642-F649 HydrophobicContact CD1-CD2 4.47Å; L642-F649 HydrophobicContact CD1-CE1 4.32Å; L642-F649 HydrophobicContact CD1-CG 3.91Å; L642-F649 HydrophobicContact CG-CD1 4.36Å; L642-F656 HydrophobicContact CD1-CB 4.13Å; L642-F656 HydrophobicContact CD1-CD1 3.73Å; L642-F656 HydrophobicContact CD1-CE1 4.31Å; L642-F656 HydrophobicContact CD1-CG 3.88Å; L642-I763 HydrophobicContact CD2-CD1 3.79Å; L642-I763 HydrophobicContact CD2-CG1 4.2Å; L642-I763 HydrophobicContact CD2-CG2 4.17Å; L642-I763 HydrophobicContact CG-CG2 4.41Å
643K89.4Confident87.1Confident139 Ų13957.9 Ų57.960%0.60430%0.302SS*.Hα-helixtrans-64.3-42.7174.7-73.4171.8-178.4174.80111.9T639 A640 A641 Q645 S646 F649T639-K643 HydrophobicContact CG2-CD 4.4Å; T639-K643 VanDerWaalsContact O-CG 3.27Å; T639-K643 WeakPolarHBondContact O-CG 3.46Å; T639-K643 PolarHBondContact O-N 2.91Å; A640-K643 PolarHBondContact O-N 2.99Å; A641-K643 PolarHBondContact O-N 3.32Å; K643-Q645 VanDerWaalsContact C-N 3.26Å; K643-Q645 PolarHBondContact O-N 2.85Å; K643-S646 PolarHBondContact O-N 3.49Å; K643-F649 HydrophobicContact CG-CE1 4.1Å; K643-F649 HydrophobicContact CG-CZ 4.43Å
644Q89.6Confident86.8Confident125 Ų12553.9 Ų53.958%0.58428%0.283SS*.Hα-helixtrans-63-32.4179-175-180-2.700112.5A640 A641 S646A640-Q644 WeakPolarHBondContact O-CB 3.3Å; A640-Q644 PolarHBondContact O-N 3.18Å; A641-Q644 PolarHBondContact O-N 3.47Å; Q644-S646 VanDerWaalsContact C-N 3.31Å
645Q85.1Confident86.7Confident65 Ų6553.9 Ų53.930%0.30428%0.284SS..THydrogen-bonded Turntrans-88.39.1175.5-66.5-63.5-73.400113.7A641 L642 K643 I647 T762 L766A641-Q645 WeakPolarHBondContact O-CG 3.14Å; A641-Q645 PolarHBondContact O-N 2.82Å; L642-Q645 PolarHBondContact O-N 2.9Å; K643-Q645 VanDerWaalsContact C-N 3.26Å; K643-Q645 PolarHBondContact O-N 2.85Å; Q645-I647 HydrophobicContact CB-CD1 3.68Å; Q645-I647 HydrophobicContact CB-CG1 3.79Å; Q645-I647 PolarHBondContact O-N 3.39Å; Q645-T762 HydrophobicContact CG-CG2 4.43Å; Q645-L766 HydrophobicContact CG-CD1 3.64Å
646S84.9Confident86.8Confident108 Ų10853.7 Ų53.776%0.75528%0.283SS*.THydrogen-bonded Turntrans5424.2-176.2-62.40000114.4L642 K643 Q644 R648L642-S646 PolarHBondContact O-N 3.31Å; K643-S646 PolarHBondContact O-N 3.49Å; Q644-S646 VanDerWaalsContact C-N 3.31Å; S646-R648 PolarHBondContact O-N 2.98Å
647I85.3Confident86.9Confident6 Ų651.4 Ų51.43%0.03127%0.271CS..  trans-78.6122.8-179.6-60.6169.4000108L642 Q645 F649 C658 F660 L759 I763L642-I647 HydrophobicContact CD2-CB 4.12Å; L642-I647 HydrophobicContact CD2-CD1 3.94Å; L642-I647 HydrophobicContact CD2-CG2 4.02Å; L642-I647 PolarHBondContact O-N 3.36Å; Q645-I647 HydrophobicContact CB-CD1 3.68Å; Q645-I647 HydrophobicContact CB-CG1 3.79Å; Q645-I647 PolarHBondContact O-N 3.39Å; I647-F649 WeakPolarHBondContact O-CD1 3.35Å; I647-C658 HydrophobicContact CG2-CB 4.03Å; I647-F660 HydrophobicContact CG1-CD2 4.16Å; I647-L759 HydrophobicContact CD1-CD1 4.05Å; I647-L759 HydrophobicContact CD1-CD2 3.77Å; I647-L759 HydrophobicContact CD1-CG 3.93Å; I647-L759 HydrophobicContact CG1-CD2 4.43Å; I647-I763 HydrophobicContact CD1-CD1 3.57Å; I647-I763 HydrophobicContact CD1-CG1 3.86Å
648R86.5Confident87Confident138 Ų13848.6 Ų48.652%0.52126%0.257SS..EExtended strand (participates in β ladder)trans-70.4135.5172-63.4-173.5-68.7-177.1-5.6108.5S646 V659 G665S646-R648 PolarHBondContact O-N 2.98Å; R648-V659 PolarHBondContact N-O 3.35Å; R648-V659 PolarHBondContact O-N 2.91Å; R648-G665 PolarHBondContact NH2-O 2.88Å
649F89.9Confident86.8Confident57 Ų5750.3 Ų50.325%0.2527%0.268CS..EExtended strand (participates in β ladder)trans-141.5152.117462.2-88.8000111.7T639 L642 K643 I647 L651 F656 L657T639-F649 HydrophobicContact CG2-CZ 3.98Å; L642-F649 HydrophobicContact CB-CD1 3.7Å; L642-F649 HydrophobicContact CB-CE1 3.79Å; L642-F649 HydrophobicContact CD1-CB 4.21Å; L642-F649 HydrophobicContact CD1-CD1 3.81Å; L642-F649 HydrophobicContact CD1-CD2 4.47Å; L642-F649 HydrophobicContact CD1-CE1 4.32Å; L642-F649 HydrophobicContact CD1-CG 3.91Å; L642-F649 HydrophobicContact CG-CD1 4.36Å; K643-F649 HydrophobicContact CG-CE1 4.1Å; K643-F649 HydrophobicContact CG-CZ 4.43Å; I647-F649 WeakPolarHBondContact O-CD1 3.35Å; F649-L651 HydrophobicContact CD2-CD2 4.23Å; F649-L651 HydrophobicContact CE2-CD2 4.23Å; F649-F656 AromaticContact CD2-CD1 3.73Å; F649-F656 HydrophobicContact CD2-CD1 3.73Å; F649-F656 HydrophobicContact CD2-CE1 4.33Å; F649-F656 HydrophobicContact CE2-CD1 4.08Å; F649-F656 HydrophobicContact CE2-CE1 4.22Å; F649-F656 HydrophobicContact CG-CD1 4.34Å; F649-L657 CarbonylContact C-O 3.46Å; F649-L657 WeakPolarHBondContact CA-O 3.22Å
650T87.4Confident86.5Confident56 Ų5651.1 Ų51.134%0.34427%0.27SS..EExtended strand (participates in β ladder)trans-115.5157.616256.10000109L657T650-L657 PolarHBondContact N-O 2.86Å; T650-L657 PolarHBondContact O-N 3.37Å
651L83.4Confident85.6Confident41 Ų4149.5 Ų49.522%0.21526%0.256CS..EExtended strand (participates in β ladder)trans-84135.7177.1-58.6-176.5000109.5P599 V602 F635 F649 F656P599-L651 HydrophobicContact CG-CB 3.47Å; P599-L651 VanDerWaalsContact CG-CB 3.47Å; V602-L651 HydrophobicContact CG1-CD1 4.27Å; F635-L651 HydrophobicContact CE1-CD2 4.45Å; F635-L651 HydrophobicContact CE2-CD2 4.18Å; F635-L651 HydrophobicContact CZ-CD1 3.96Å; F635-L651 HydrophobicContact CZ-CD2 3.56Å; F635-L651 HydrophobicContact CZ-CG 4.35Å; F649-L651 HydrophobicContact CD2-CD2 4.23Å; F649-L651 HydrophobicContact CE2-CD2 4.23Å; L651-F656 HydrophobicContact CD2-CD1 3.66Å; L651-F656 HydrophobicContact CD2-CE1 3.67Å
652K76.5Confident84.6Confident112 Ų11250.2 Ų50.249%0.48726%0.26SS..EExtended strand (participates in β ladder)trans-138.5110.8-178.9-172.5176.9179.41800110.1S654 G655 L657 E672K652-S654 PolarHBondContact O-N 2.89Å; K652-G655 PolarHBondContact N-O 3.35Å; K652-G655 CarbonylContact O-C 3.5Å; K652-G655 PolarHBondContact O-N 3.13Å; K652-G655 VanDerWaalsContact O-N 3.08Å; K652-L657 HydrophobicContact CB-CB 4.16Å; K652-L657 HydrophobicContact CD-CB 4.37Å; K652-E672 WeakPolarHBondContact CD-OE1 3.18Å; K652-E672 WeakPolarHBondContact CE-OE1 3.25Å; K652-E672 IonicContact NZ-OE1 3.34Å; K652-E672 PolarHBondContact NZ-OE1 3.18Å
653G75.8Confident83.6Confident38 Ų3856.9 Ų56.939%0.39230%0.295SS..THydrogen-bonded Turntrans59.8-123-177.700000112.1P599 G655P599-G653 WeakPolarHBondContact CB-O 3.24Å; P599-G653 WeakPolarHBondContact CG-O 3.36Å; G653-G655 VanDerWaalsContact C-N 3.3Å; G653-G655 PolarHBondContact O-N 3.41Å
654S79.1Confident82.4Confident6 Ų659.4 Ų59.44%0.04230%0.301CS..THydrogen-bonded Turntrans-96.536.9175.4-67.50000112.2N601 L613 K652 L675N601-S654 PolarHBondContact ND2-OG 3Å; L613-S654 VanDerWaalsContact CD2-CB 3.46Å; K652-S654 PolarHBondContact O-N 2.89Å; S654-L675 WeakPolarHBondContact O-CB 3.27Å; S654-L675 PolarHBondContact O-N 2.94Å
655G86.5Confident80.9Confident1 Ų155.3 Ų55.31%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-168.1-163-169.600000115.1K652 G653 L673K652-G655 PolarHBondContact N-O 3.35Å; K652-G655 CarbonylContact O-C 3.5Å; K652-G655 PolarHBondContact O-N 3.13Å; K652-G655 VanDerWaalsContact O-N 3.08Å; G653-G655 VanDerWaalsContact C-N 3.3Å; G653-G655 PolarHBondContact O-N 3.41Å; G655-L673 CarbonylContact C-O 3.58Å; G655-L673 WeakPolarHBondContact CA-O 3.34Å
656F90.3Very high79.8Confident2 Ų256.1 Ų56.11%0.00930%0.296CS..EExtended strand (participates in β ladder)trans-119.9136.3-172.6-53.2-92.1000110.2F635 I638 T639 L642 F649 L651 E672 L673 L675F635-F656 HydrophobicContact CD1-CZ 4.09Å; F635-F656 HydrophobicContact CD2-CE1 4.33Å; F635-F656 AromaticContact CD2-CE2 3.63Å; F635-F656 HydrophobicContact CD2-CE2 3.63Å; F635-F656 AromaticContact CD2-CZ 3.39Å; F635-F656 HydrophobicContact CD2-CZ 3.39Å; F635-F656 HydrophobicContact CE1-CE1 4.36Å; F635-F656 HydrophobicContact CE1-CZ 4.12Å; F635-F656 AromaticContact CE2-CE1 3.93Å; F635-F656 HydrophobicContact CE2-CE1 3.93Å; F635-F656 AromaticContact CE2-CE2 3.84Å; F635-F656 HydrophobicContact CE2-CE2 3.84Å; F635-F656 AromaticContact CE2-CZ 3.42Å; F635-F656 HydrophobicContact CE2-CZ 3.42Å; F635-F656 VanDerWaalsContact CE2-CZ 3.42Å; F635-F656 HydrophobicContact CG-CE2 4.28Å; F635-F656 AromaticContact CG-CZ 3.75Å; F635-F656 HydrophobicContact CG-CZ 3.75Å; F635-F656 AromaticContact CZ-CE1 3.96Å; F635-F656 HydrophobicContact CZ-CE1 3.96Å; F635-F656 AromaticContact CZ-CZ 3.81Å; F635-F656 HydrophobicContact CZ-CZ 3.81Å; F635-F656 WeakPolarHBondContact O-CZ 3.46Å; I638-F656 HydrophobicContact CB-CD2 4.46Å; I638-F656 HydrophobicContact CB-CE2 3.8Å; I638-F656 HydrophobicContact CB-CZ 4.09Å; I638-F656 HydrophobicContact CD1-CE2 4.13Å; I638-F656 HydrophobicContact CG2-CD2 3.66Å; I638-F656 HydrophobicContact CG2-CE1 4.49Å; I638-F656 HydrophobicContact CG2-CE2 3.49Å; I638-F656 VanDerWaalsContact CG2-CE2 3.49Å; I638-F656 HydrophobicContact CG2-CG 4.26Å; I638-F656 HydrophobicContact CG2-CZ 3.94Å; T639-F656 VanDerWaalsContact OG1-CE1 3.28Å; T639-F656 WeakPolarHBondContact OG1-CE1 3.35Å; T639-F656 WeakPolarHBondContact OG1-CZ 3.39Å; L642-F656 HydrophobicContact CD1-CB 4.13Å; L642-F656 HydrophobicContact CD1-CD1 3.73Å; L642-F656 HydrophobicContact CD1-CE1 4.31Å; L642-F656 HydrophobicContact CD1-CG 3.88Å; F649-F656 AromaticContact CD2-CD1 3.73Å; F649-F656 HydrophobicContact CD2-CD1 3.73Å; F649-F656 HydrophobicContact CD2-CE1 4.33Å; F649-F656 HydrophobicContact CE2-CD1 4.08Å; F649-F656 HydrophobicContact CE2-CE1 4.22Å; F649-F656 HydrophobicContact CG-CD1 4.34Å; L651-F656 HydrophobicContact CD2-CD1 3.66Å; L651-F656 HydrophobicContact CD2-CE1 3.67Å; F656-E672 CarbonylContact O-C 3.57Å; F656-E672 WeakPolarHBondContact O-CA 3.33Å; F656-L673 HydrophobicContact CB-CB 4.4Å; F656-L673 HydrophobicContact CD2-CB 4.2Å; F656-L673 PolarHBondContact N-O 2.98Å; F656-L673 PolarHBondContact O-N 3.01Å; F656-L675 HydrophobicContact CE2-CD1 4.33Å
657L89.9Confident79Confident45 Ų4553 Ų5324%0.23627%0.272CS..EExtended strand (participates in β ladder)trans-99.8104.2161170.959.9000107.4F649 T650 K652 E672 I749F649-L657 CarbonylContact C-O 3.46Å; F649-L657 WeakPolarHBondContact CA-O 3.22Å; T650-L657 PolarHBondContact N-O 2.86Å; T650-L657 PolarHBondContact O-N 3.37Å; K652-L657 HydrophobicContact CB-CB 4.16Å; K652-L657 HydrophobicContact CD-CB 4.37Å; L657-E672 HydrophobicContact CD1-CG 4.2Å; L657-I749 HydrophobicContact CD1-CD1 3.25Å
658C91.4Very high78.2Confident0 Ų053 Ų530%027%0.272CS..EExtended strand (participates in β ladder)trans-94.7140.2-175.1-59.40000111.2I647 S670 F671I647-C658 HydrophobicContact CG2-CB 4.03Å; C658-S670 VanDerWaalsContact O-CA 3.23Å; C658-S670 WeakPolarHBondContact O-CA 3.48Å; C658-S670 WeakPolarHBondContact O-CB 3.26Å; C658-F671 HydrophobicContact CB-CD1 3.81Å; C658-F671 HydrophobicContact CB-CD2 3.89Å; C658-F671 HydrophobicContact CB-CE1 3.46Å; C658-F671 VanDerWaalsContact CB-CE1 3.46Å; C658-F671 HydrophobicContact CB-CE2 3.55Å; C658-F671 HydrophobicContact CB-CG 4.01Å; C658-F671 HydrophobicContact CB-CZ 3.32Å; C658-F671 PolarHBondContact N-O 2.88Å; C658-F671 PolarHBondContact O-N 2.96Å
659V87.3Confident77.8Confident37 Ų3746.5 Ų46.522%0.22425%0.248CC..EExtended strand (participates in β ladder)trans-137.1103-178.1-178.60000108.6R648 T667R648-V659 PolarHBondContact N-O 3.35Å; R648-V659 PolarHBondContact O-N 2.91Å; V659-T667 HydrophobicContact CG1-CG2 3.81Å; V659-T667 WeakPolarHBondContact CG1-OG1 3.47Å
660F83.4Confident77.5Confident39 Ų3944.6 Ų44.617%0.17124%0.241CC..EExtended strand (participates in β ladder)trans-88.4131.6169.3-174.4-112.8000109P214 I647 V668 L669 M755 L759P214-F660 HydrophobicContact CG-CE1 4.26Å; I647-F660 HydrophobicContact CG1-CD2 4.16Å; F660-V668 HydrophobicContact CD1-CB 4.3Å; F660-V668 PolarHBondContact O-N 3.32Å; F660-L669 HydrophobicContact CB-CB 4.24Å; F660-L669 PolarHBondContact N-O 2.72Å; F660-L669 PolarHBondContact O-N 3.27Å; F660-M755 HydrophobicContact CD1-SD 4.37Å; F660-L759 HydrophobicContact CB-CD2 4.08Å; F660-L759 HydrophobicContact CD2-CD2 4.45Å; F660-L759 HydrophobicContact CG-CD2 4.18Å
661A73.6Confident77.5Confident23 Ų2341.9 Ų41.919%0.1923%0.225CC..EExtended strand (participates in β ladder)trans-137.7151.8-176.300000110K666A661-K666 VanDerWaalsContact CA-O 3.27Å; A661-K666 WeakPolarHBondContact CA-O 3.39Å; A661-K666 WeakPolarHBondContact CB-O 3.3Å
662N70.9Confident77.9Confident16 Ų1641.4 Ų41.49%0.08622%0.222CC..  trans-76.4176175.563.812.8000111.9F168 W664 G665 K666 V668F168-N662 WeakPolarHBondContact CE1-ND2 3.17Å; N662-W664 HydrophobicContact CB-CE3 4.11Å; N662-W664 PolarHBondContact O-N 3.48Å; N662-W664 VanDerWaalsContact O-N 3.12Å; N662-W664 PolarHBondContact OD1-N 2.97Å; N662-G665 WeakPolarHBondContact O-CA 3.47Å; N662-G665 PolarHBondContact O-N 2.92Å; N662-G665 PolarHBondContact OD1-N 2.64Å; N662-K666 PolarHBondContact N-O 3.28Å; N662-K666 WeakPolarHBondContact OD1-CA 3.38Å; N662-K666 WeakPolarHBondContact OD1-CB 3.32Å; N662-K666 PolarHBondContact OD1-N 3.04Å; N662-K666 PolarHBondContact OD1-O 2.84Å; N662-V668 HydrophobicContact CB-CG2 3.94Å
663D69.5Low78.6Confident140 Ų14036.1 Ų36.175%0.74920%0.199SC*.THydrogen-bonded Turntrans-57.2-27.6-179.9-58.3-22.4000113.8G665D663-G665 PolarHBondContact O-N 3.05Å
664W63Low79.2Confident192 Ų19236 Ų3673%0.72719%0.188SC*.THydrogen-bonded Turntrans-80.610.7173.7-55.4-81.7000113.5F168 N662 K666F168-W664 HydrophobicContact CZ-CE3 4.29Å; F168-W664 HydrophobicContact CZ-CZ3 4.11Å; N662-W664 HydrophobicContact CB-CE3 4.11Å; N662-W664 PolarHBondContact O-N 3.48Å; N662-W664 VanDerWaalsContact O-N 3.12Å; N662-W664 PolarHBondContact OD1-N 2.97Å; W664-K666 PolarHBondContact O-N 3.16Å
665G58.3Low79.7Confident40 Ų4035.7 Ų35.741%0.41219%0.186SC..SBendtrans73.90.6177.800000115.2R648 N662 D663R648-G665 PolarHBondContact NH2-O 2.88Å; N662-G665 WeakPolarHBondContact O-CA 3.47Å; N662-G665 PolarHBondContact O-N 2.92Å; N662-G665 PolarHBondContact OD1-N 2.64Å; D663-G665 PolarHBondContact O-N 3.05Å
666K62.1Low79.9Confident82 Ų8235.8 Ų35.836%0.35719%0.186SC..  trans-83.3124.2-175.3-169.6161.3-177.3-165.60110.5F168 A661 N662 W664 V668F168-K666 HydrophobicContact CB-CD 3.71Å; F168-K666 HydrophobicContact CG-CD 4.43Å; F168-K666 WeakPolarHBondContact O-CE 3.41Å; F168-K666 PolarHBondContact O-NZ 2.85Å; F168-K666 VanDerWaalsContact O-NZ 3.11Å; A661-K666 VanDerWaalsContact CA-O 3.27Å; A661-K666 WeakPolarHBondContact CA-O 3.39Å; A661-K666 WeakPolarHBondContact CB-O 3.3Å; N662-K666 PolarHBondContact N-O 3.28Å; N662-K666 WeakPolarHBondContact OD1-CA 3.38Å; N662-K666 WeakPolarHBondContact OD1-CB 3.32Å; N662-K666 PolarHBondContact OD1-N 3.04Å; N662-K666 PolarHBondContact OD1-O 2.84Å; W664-K666 PolarHBondContact O-N 3.16Å; K666-V668 PolarHBondContact O-N 3.49Å
667T67.9Low79.8Confident42 Ų4237.8 Ų37.826%0.25819%0.194SC..EExtended strand (participates in β ladder)trans-53.3128.3177-55.90000110.9C169 V659C169-T667 PolarHBondContact SG-O 3.11Å; V659-T667 HydrophobicContact CG1-CG2 3.81Å; V659-T667 WeakPolarHBondContact CG1-OG1 3.47Å
668V69.2Low79.5Confident7 Ų735.7 Ų35.74%0.04218%0.183CC..EExtended strand (participates in β ladder)trans-103.9-39.7174.9-1750000110F660 N662 K666 M755F660-V668 HydrophobicContact CD1-CB 4.3Å; F660-V668 PolarHBondContact O-N 3.32Å; N662-V668 HydrophobicContact CB-CG2 3.94Å; K666-V668 PolarHBondContact O-N 3.49Å; V668-M755 HydrophobicContact CG1-CE 3.66Å; V668-M755 HydrophobicContact CG1-SD 3.65Å
669L78.7Confident79.1Confident0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-140.9139.1-179.9175.883.4000109.5F660 F671 R750 M755 Y756 L759F660-L669 HydrophobicContact CB-CB 4.24Å; F660-L669 PolarHBondContact N-O 2.72Å; F660-L669 PolarHBondContact O-N 3.27Å; L669-F671 HydrophobicContact CD2-CD1 3.68Å; L669-F671 HydrophobicContact CD2-CE1 3.76Å; L669-F671 HydrophobicContact CG-CD1 3.94Å; L669-F671 HydrophobicContact CG-CE1 4.41Å; L669-R750 CarbonylContact C-O 3.6Å; L669-R750 WeakPolarHBondContact CA-O 3.37Å; L669-R750 VanDerWaalsContact CD1-O 3.29Å; L669-R750 WeakPolarHBondContact CD1-O 3.49Å; L669-M755 HydrophobicContact CB-SD 3.99Å; L669-M755 HydrophobicContact CD2-CG 4.46Å; L669-Y756 HydrophobicContact CD1-CD2 4.47Å; L669-L759 HydrophobicContact CD2-CB 4.38Å; L669-L759 HydrophobicContact CD2-CD2 3.65Å
670S83.1Confident78.8Confident17 Ų1736.9 Ų36.912%0.11920%0.195CC..EExtended strand (participates in β ladder)trans-134.6142.116660.50000111.7C658 I749 R750C658-S670 VanDerWaalsContact O-CA 3.23Å; C658-S670 WeakPolarHBondContact O-CA 3.48Å; C658-S670 WeakPolarHBondContact O-CB 3.26Å; S670-I749 WeakPolarHBondContact O-CA 3.37Å; S670-I749 WeakPolarHBondContact O-CB 3.07Å; S670-I749 PolarHBondContact O-N 3.48Å; S670-R750 PolarHBondContact N-O 2.91Å; S670-R750 PolarHBondContact O-N 2.95Å
671F88.2Confident78.7Confident0 Ų043.5 Ų43.50%022%0.218CC..EExtended strand (participates in β ladder)trans-157.4163.5-172.760.3-77.7000111.8C658 L669 L673 K747 Y756 L759 I763C658-F671 HydrophobicContact CB-CD1 3.81Å; C658-F671 HydrophobicContact CB-CD2 3.89Å; C658-F671 HydrophobicContact CB-CE1 3.46Å; C658-F671 VanDerWaalsContact CB-CE1 3.46Å; C658-F671 HydrophobicContact CB-CE2 3.55Å; C658-F671 HydrophobicContact CB-CG 4.01Å; C658-F671 HydrophobicContact CB-CZ 3.32Å; C658-F671 PolarHBondContact N-O 2.88Å; C658-F671 PolarHBondContact O-N 2.96Å; L669-F671 HydrophobicContact CD2-CD1 3.68Å; L669-F671 HydrophobicContact CD2-CE1 3.76Å; L669-F671 HydrophobicContact CG-CD1 3.94Å; L669-F671 HydrophobicContact CG-CE1 4.41Å; F671-L673 HydrophobicContact CD2-CD2 4.06Å; F671-L673 HydrophobicContact CD2-CG 4.09Å; F671-L673 HydrophobicContact CE2-CD1 4.09Å; F671-L673 HydrophobicContact CE2-CD2 4.11Å; F671-L673 HydrophobicContact CE2-CG 3.97Å; F671-K747 CarbonylContact C-O 3.47Å; F671-K747 WeakPolarHBondContact CA-O 3.27Å; F671-K747 WeakPolarHBondContact CB-O 3.14Å; F671-Y756 HydrophobicContact CB-CD2 3.84Å; F671-Y756 HydrophobicContact CB-CE2 3.65Å; F671-Y756 HydrophobicContact CD2-CE2 4.31Å; F671-Y756 HydrophobicContact CG-CD2 4.17Å; F671-Y756 HydrophobicContact CG-CE2 4.14Å; F671-L759 HydrophobicContact CE1-CD2 3.88Å; F671-L759 HydrophobicContact CZ-CD2 4.14Å; F671-I763 HydrophobicContact CE2-CD1 3.86Å; F671-I763 HydrophobicContact CZ-CD1 3.57Å
672E90.5Very high78.8Confident31 Ų3143.4 Ų43.415%0.14522%0.218CC..EExtended strand (participates in β ladder)trans-115.8141.3177.1-47.1-174.1142.100110.6K652 F656 L657 M746 K747 I749K652-E672 WeakPolarHBondContact CD-OE1 3.18Å; K652-E672 WeakPolarHBondContact CE-OE1 3.25Å; K652-E672 IonicContact NZ-OE1 3.34Å; K652-E672 PolarHBondContact NZ-OE1 3.18Å; F656-E672 CarbonylContact O-C 3.57Å; F656-E672 WeakPolarHBondContact O-CA 3.33Å; L657-E672 HydrophobicContact CD1-CG 4.2Å; E672-M746 CarbonylContact O-C 3.58Å; E672-M746 WeakPolarHBondContact O-CA 3.38Å; E672-K747 HydrophobicContact CB-CB 4.29Å; E672-K747 PolarHBondContact N-O 2.88Å; E672-K747 PolarHBondContact O-N 3.34Å; E672-I749 HydrophobicContact CG-CD1 3.48Å; E672-I749 VanDerWaalsContact CG-CD1 3.48Å; E672-I749 HydrophobicContact CG-CG1 3.96Å
673L91.2Very high79Confident1 Ų143.9 Ų43.91%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-120.7100.9169.7-58.7178.4000107.9I638 G655 F656 F671 I744 M746 I763I638-L673 HydrophobicContact CG2-CD1 3.85Å; G655-L673 CarbonylContact C-O 3.58Å; G655-L673 WeakPolarHBondContact CA-O 3.34Å; F656-L673 HydrophobicContact CB-CB 4.4Å; F656-L673 HydrophobicContact CD2-CB 4.2Å; F656-L673 PolarHBondContact N-O 2.98Å; F656-L673 PolarHBondContact O-N 3.01Å; F671-L673 HydrophobicContact CD2-CD2 4.06Å; F671-L673 HydrophobicContact CD2-CG 4.09Å; F671-L673 HydrophobicContact CE2-CD1 4.09Å; F671-L673 HydrophobicContact CE2-CD2 4.11Å; F671-L673 HydrophobicContact CE2-CG 3.97Å; L673-I744 HydrophobicContact CB-CG2 4.23Å; L673-I744 HydrophobicContact CD2-CG2 4.34Å; L673-M746 HydrophobicContact CD2-CB 4.21Å; L673-M746 HydrophobicContact CD2-CG 3.76Å; L673-I763 HydrophobicContact CD1-CG2 4.34Å
674E89.7Confident79.4Confident35 Ų3542.1 Ų42.116%0.16421%0.208CC..EExtended strand (participates in β ladder)trans-102.7122-178.3-175.9-179-148.400110.1R614 V676 K745R614-E674 WeakPolarHBondContact CD-OE1 3.34Å; R614-E674 IonicContact CZ-OE1 3.87Å; R614-E674 IonicContact NE-OE1 2.8Å; R614-E674 IonicContact NH1-OE1 3.74Å; R614-E674 PolarHBondContact NH1-OE1 3.29Å; E674-V676 HydrophobicContact CG-CG1 4.02Å; E674-K745 HydrophobicContact CB-CB 4.38Å; E674-K745 PolarHBondContact N-O 3.24Å; E674-K745 PolarHBondContact O-N 2.88Å
675L90Very high79.9Confident0 Ų034.9 Ų34.90%019%0.189CC..EExtended strand (participates in β ladder)trans-72.4132.5170.9-7966.2000109.1L608 L613 P631 V634 F635 I638 S654 F656L608-L675 HydrophobicContact CD2-CD2 3.95Å; L613-L675 HydrophobicContact CD1-CB 4.37Å; L613-L675 HydrophobicContact CD2-CB 3.85Å; P631-L675 HydrophobicContact CB-CD2 4.19Å; P631-L675 WeakPolarHBondContact O-CD2 3.35Å; V634-L675 HydrophobicContact CB-CD2 4.22Å; V634-L675 HydrophobicContact CG1-CD2 4Å; V634-L675 HydrophobicContact CG1-CG 4.27Å; F635-L675 HydrophobicContact CB-CD2 4.25Å; I638-L675 HydrophobicContact CD1-CD1 4Å; S654-L675 WeakPolarHBondContact O-CB 3.27Å; S654-L675 PolarHBondContact O-N 2.94Å; F656-L675 HydrophobicContact CE2-CD1 4.33Å
676V89.2Confident80.4Confident2 Ų234.1 Ų34.11%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-139.3149.5-175.7-66.90000111.2R614 T616 V622 E674 V678 G743 K745R614-V676 CarbonylContact O-C 3.56Å; R614-V676 WeakPolarHBondContact O-CA 3.35Å; T616-V676 HydrophobicContact CG2-CB 4.05Å; T616-V676 HydrophobicContact CG2-CG2 3.75Å; V622-V676 HydrophobicContact CG1-CG2 4.16Å; E674-V676 HydrophobicContact CG-CG1 4.02Å; V676-V678 HydrophobicContact CG2-CG2 4.27Å; V676-G743 WeakPolarHBondContact CG2-O 3.48Å; V676-G743 PolarHBondContact N-O 3.28Å; V676-G743 PolarHBondContact O-N 2.96Å; V676-K745 HydrophobicContact CG1-CB 4.13Å; V676-K745 HydrophobicContact CG2-CB 4.07Å
677Y88.4Confident80.8Confident44 Ų4433.3 Ų33.317%0.17318%0.18CC..EExtended strand (participates in β ladder)trans-86134.6163.8-77.8-56.7000110.4V610 L613 R614 K615 T616 R740 M741V610-Y677 WeakPolarHBondContact CG1-OH 3.49Å; L613-Y677 HydrophobicContact CB-CD2 3.56Å; L613-Y677 HydrophobicContact CB-CE2 3.68Å; L613-Y677 HydrophobicContact CB-CG 4.39Å; L613-Y677 HydrophobicContact CD1-CD2 4.17Å; L613-Y677 HydrophobicContact CD1-CE1 4.34Å; L613-Y677 HydrophobicContact CD1-CE2 3.88Å; L613-Y677 HydrophobicContact CG-CD2 4.41Å; L613-Y677 HydrophobicContact CG-CE2 4.14Å; R614-Y677 PolarHBondContact O-N 3.02Å; K615-Y677 CarbonylContact C-O 3.52Å; K615-Y677 VanDerWaalsContact CA-O 3.3Å; K615-Y677 WeakPolarHBondContact CA-O 3.44Å; T616-Y677 PolarHBondContact N-O 3.19Å; Y677-R740 HydrophobicContact CD1-CB 4.09Å; Y677-M741 WeakPolarHBondContact CA-O 3.48Å
678V84.8Confident80.9Confident1 Ų139.2 Ų39.21%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-116.2139.3175.7-166.70000108.8T616 L619 V622 I624 V676 A682 V683 R740 M741T616-V678 HydrophobicContact CG2-CG2 3.93Å; L619-V678 HydrophobicContact CD1-CG1 4.49Å; L619-V678 HydrophobicContact CD2-CG1 3.8Å; L619-V678 HydrophobicContact CG-CG1 4.17Å; V622-V678 HydrophobicContact CG1-CG2 3.96Å; I624-V678 HydrophobicContact CD1-CB 4.19Å; I624-V678 HydrophobicContact CD1-CG1 4.37Å; I624-V678 HydrophobicContact CD1-CG2 3.89Å; V676-V678 HydrophobicContact CG2-CG2 4.27Å; V678-A682 HydrophobicContact CG1-CB 4.45Å; V678-V683 HydrophobicContact CB-CG2 4.5Å; V678-V683 HydrophobicContact CG1-CG2 3.83Å; V678-R740 WeakPolarHBondContact O-CA 3.45Å; V678-M741 PolarHBondContact N-O 2.56Å; V678-M741 PolarHBondContact O-N 2.66Å
679S83.2Confident80.7Confident38 Ų3847.1 Ų47.127%0.26623%0.226SC..EExtended strand (participates in β ladder)trans-72.6134.5170.8170.80000110.3R681 A682 V683 D739S679-R681 PolarHBondContact O-N 2.96Å; S679-R681 PolarHBondContact OG-N 3.37Å; S679-A682 WeakPolarHBondContact O-CB 3.42Å; S679-A682 PolarHBondContact O-N 3.43Å; S679-V683 PolarHBondContact O-N 3.32Å; S679-D739 WeakPolarHBondContact CA-O 3.5Å; S679-D739 PolarHBondContact OG-OD1 2.89Å
680A79.7Confident79.7Confident25 Ų2554.7 Ų54.721%0.20726%0.255CS..Hα-helixtrans-57.5-38.2178.300000111.4A682 V683 E684 D739 M741A680-A682 VanDerWaalsContact C-N 3.27Å; A680-A682 PolarHBondContact O-N 3Å; A680-V683 WeakPolarHBondContact O-CA 3.32Å; A680-V683 WeakPolarHBondContact O-CB 3.26Å; A680-V683 PolarHBondContact O-N 3.3Å; A680-E684 PolarHBondContact O-N 3.38Å; A680-D739 PolarHBondContact N-OD1 3.19Å; A680-M741 HydrophobicContact CB-CG 4.25Å; A680-M741 HydrophobicContact CB-SD 4.27Å
681R80.9Confident78.6Confident177 Ų17760 Ų6067%0.66828%0.28SS*.Hα-helixtrans-57.4-35.4173.7-55.2179.4-170.9-134.9-6.9113.9S679 A685 D739S679-R681 PolarHBondContact O-N 2.96Å; S679-R681 PolarHBondContact OG-N 3.37Å; R681-A685 WeakPolarHBondContact O-CB 3.4Å; R681-A685 PolarHBondContact O-N 3.02Å; R681-D739 IonicContact CZ-OD2 2.68Å; R681-D739 IonicContact NE-OD2 3.69Å; R681-D739 PolarHBondContact NE-OD2 3.36Å; R681-D739 IonicContact NH2-OD2 3.2Å
682A76.3Confident77.1Confident21 Ų2164 Ų6417%0.17430%0.303CS..Hα-helixtrans-70.1-38.5176.800000110.7L619 V678 S679 A680 A685 S686L619-A682 VanDerWaalsContact CD1-C 3.4Å; L619-A682 HydrophobicContact CD1-CB 4.25Å; L619-A682 WeakPolarHBondContact CD1-O 3.48Å; V678-A682 HydrophobicContact CG1-CB 4.45Å; S679-A682 WeakPolarHBondContact O-CB 3.42Å; S679-A682 PolarHBondContact O-N 3.43Å; A680-A682 VanDerWaalsContact C-N 3.27Å; A680-A682 PolarHBondContact O-N 3Å; A682-A685 PolarHBondContact O-N 3.34Å; A682-S686 WeakPolarHBondContact O-CB 3.39Å; A682-S686 PolarHBondContact O-N 2.99Å
683V75.9Confident75.1Confident27 Ų2767.3 Ų67.316%0.16432%0.322CS..Hα-helixtrans-61.5-52.6174.9-174.50000110.1L619 I624 V678 S679 A680 A685 S686 V687 M741L619-V683 HydrophobicContact CD1-CB 4.43Å; L619-V683 HydrophobicContact CD1-CG2 4.22Å; L619-V683 HydrophobicContact CD2-CG2 4.35Å; I624-V683 HydrophobicContact CD1-CG2 3.86Å; I624-V683 HydrophobicContact CG1-CG1 4.38Å; I624-V683 HydrophobicContact CG1-CG2 4.23Å; V678-V683 HydrophobicContact CB-CG2 4.5Å; V678-V683 HydrophobicContact CG1-CG2 3.83Å; S679-V683 PolarHBondContact O-N 3.32Å; A680-V683 WeakPolarHBondContact O-CA 3.32Å; A680-V683 WeakPolarHBondContact O-CB 3.26Å; A680-V683 PolarHBondContact O-N 3.3Å; V683-A685 VanDerWaalsContact C-N 3.32Å; V683-A685 PolarHBondContact O-N 2.81Å; V683-S686 WeakPolarHBondContact O-CB 3.46Å; V683-S686 PolarHBondContact O-N 3.03Å; V683-S686 VanDerWaalsContact O-N 3.1Å; V683-V687 HydrophobicContact CG1-CG2 4.45Å; V683-V687 WeakPolarHBondContact O-CG2 3.37Å; V683-V687 PolarHBondContact O-N 3.46Å; V683-M741 HydrophobicContact CB-SD 4.34Å; V683-M741 HydrophobicContact CG2-SD 3.92Å
684E77.2Confident73Confident103 Ų10376.6 Ų76.648%0.48136%0.357SS..Hα-helixtrans-54.4-45.8176-70.8179.4-154.300112.7A680 S686 V687 R688A680-E684 PolarHBondContact O-N 3.38Å; E684-S686 VanDerWaalsContact C-N 3.33Å; E684-S686 PolarHBondContact O-N 3.05Å; E684-V687 PolarHBondContact O-N 3.18Å; E684-R688 WeakPolarHBondContact O-CG 3.32Å; E684-R688 PolarHBondContact O-N 2.94Å; E684-R688 IonicContact OE2-NH2 3.35Å
685A74.3Confident70.8Confident39 Ų3979.4 Ų79.432%0.32238%0.38SS..Hα-helixtrans-64.1-36.917900000112.5R681 A682 V683 R689R681-A685 WeakPolarHBondContact O-CB 3.4Å; R681-A685 PolarHBondContact O-N 3.02Å; A682-A685 PolarHBondContact O-N 3.34Å; V683-A685 VanDerWaalsContact C-N 3.32Å; V683-A685 PolarHBondContact O-N 2.81Å; A685-R689 WeakPolarHBondContact O-CG 3.29Å; A685-R689 PolarHBondContact O-N 2.8Å
686S68.8Low68.3Low25 Ų2584 Ų8418%0.17541%0.409CS..Hα-helixtrans-69.3-44.3176.4-172.30000112.1L619 A682 V683 E684 R688 R689 R690L619-S686 VanDerWaalsContact CD1-CB 3.49Å; A682-S686 WeakPolarHBondContact O-CB 3.39Å; A682-S686 PolarHBondContact O-N 2.99Å; V683-S686 WeakPolarHBondContact O-CB 3.46Å; V683-S686 PolarHBondContact O-N 3.03Å; V683-S686 VanDerWaalsContact O-N 3.1Å; E684-S686 VanDerWaalsContact C-N 3.33Å; E684-S686 PolarHBondContact O-N 3.05Å; S686-R688 PolarHBondContact O-N 2.98Å; S686-R689 PolarHBondContact O-N 3.43Å; S686-R690 PolarHBondContact O-N 3.11Å
687V70.2Confident65.7Low65 Ų6588.8 Ų88.839%0.39444%0.442SS..Hα-helixtrans-59.1-46.3175.9172.90000110.7V683 E684 R689 R690 M691V683-V687 HydrophobicContact CG1-CG2 4.45Å; V683-V687 WeakPolarHBondContact O-CG2 3.37Å; V683-V687 PolarHBondContact O-N 3.46Å; E684-V687 PolarHBondContact O-N 3.18Å; V687-R689 VanDerWaalsContact C-N 3.35Å; V687-R689 PolarHBondContact O-N 3.17Å; V687-R690 PolarHBondContact O-N 3.43Å; V687-M691 HydrophobicContact CG1-CE 3.82Å; V687-M691 HydrophobicContact CG1-SD 4.18Å; V687-M691 WeakPolarHBondContact O-CG 3.39Å; V687-M691 PolarHBondContact O-N 3.17Å
688R70.4Confident63.4Low165 Ų16592.5 Ų92.562%0.62347%0.471SS*.Hα-helixtrans-57.8-42.9175.9-72.5-179.6-170.3155.414.2112.6E684 S686 M691 T692E684-R688 WeakPolarHBondContact O-CG 3.32Å; E684-R688 PolarHBondContact O-N 2.94Å; E684-R688 IonicContact OE2-NH2 3.35Å; S686-R688 PolarHBondContact O-N 2.98Å; R688-M691 PolarHBondContact O-N 3.37Å; R688-T692 PolarHBondContact O-N 2.94Å; R688-T692 PolarHBondContact O-OG1 2.99Å
689R64Low61.1Low173 Ų17397.1 Ų97.165%0.65351%0.51SS*.Hα-helixtrans-63.7-40.2176.3-69.8179.1-155.9169.54.9113A685 S686 V687 T692 L693A685-R689 WeakPolarHBondContact O-CG 3.29Å; A685-R689 PolarHBondContact O-N 2.8Å; S686-R689 PolarHBondContact O-N 3.43Å; V687-R689 VanDerWaalsContact C-N 3.35Å; V687-R689 PolarHBondContact O-N 3.17Å; R689-T692 WeakPolarHBondContact CA-OG1 3.48Å; R689-T692 PolarHBondContact O-N 3.41Å; R689-T692 PolarHBondContact O-OG1 3.32Å; R689-L693 WeakPolarHBondContact O-CG 3.05Å; R689-L693 PolarHBondContact O-N 3.34Å
690R58.3Low59Low159 Ų15999 Ų9960%0.653%0.527SS*.Hα-helixtrans-65.5-38.6176.2-73-174.4-179.5171.41.1111.9S686 V687 L693 R694S686-R690 PolarHBondContact O-N 3.11Å; V687-R690 PolarHBondContact O-N 3.43Å; R690-L693 PolarHBondContact O-N 2.81Å; R690-R694 PolarHBondContact O-N 3.18Å; R690-R694 VanDerWaalsContact O-N 3.12Å
691M59.1Low56.9Low130 Ų130104 Ų10464%0.6456%0.558SS**Hα-helixtrans-63.9-43.8174.6-71.1177.817200111.9V687 R688 L693 R694 S695V687-M691 HydrophobicContact CG1-CE 3.82Å; V687-M691 HydrophobicContact CG1-SD 4.18Å; V687-M691 WeakPolarHBondContact O-CG 3.39Å; V687-M691 PolarHBondContact O-N 3.17Å; R688-M691 PolarHBondContact O-N 3.37Å; M691-L693 PolarHBondContact O-N 2.94Å; M691-R694 PolarHBondContact O-N 2.87Å; M691-S695 PolarHBondContact O-N 3.26Å
692T57.7Low54.8Low82 Ų82104 Ų10450%0.50357%0.567SS.*Hα-helixtrans-63.4-40.2175.849.10000112.4R688 R689 R694 S695 T696R688-T692 PolarHBondContact O-N 2.94Å; R688-T692 PolarHBondContact O-OG1 2.99Å; R689-T692 WeakPolarHBondContact CA-OG1 3.48Å; R689-T692 PolarHBondContact O-N 3.41Å; R689-T692 PolarHBondContact O-OG1 3.32Å; T692-R694 VanDerWaalsContact C-N 3.31Å; T692-R694 PolarHBondContact O-N 2.83Å; T692-S695 PolarHBondContact O-N 2.89Å; T692-S695 PolarHBondContact O-OG 2.95Å; T692-T696 PolarHBondContact O-N 3.13Å
693L48.5Very low53.1Low101 Ų101109.4 Ų109.453%0.52960%0.598SS.*Hα-helixtrans-65.1-29.9177.1-77.4163.8000113.5R689 R690 M691 S695 T696R689-L693 WeakPolarHBondContact O-CG 3.05Å; R689-L693 PolarHBondContact O-N 3.34Å; R690-L693 PolarHBondContact O-N 2.81Å; M691-L693 PolarHBondContact O-N 2.94Å; L693-S695 VanDerWaalsContact C-N 3.31Å; L693-T696 PolarHBondContact O-OG1 3.3Å
694R46.4Very low51.1Low197 Ų197114 Ų11474%0.74363%0.628SS**Hα-helixtrans-73.5-20.5172.3-77.5-173.5171.5-170.6-4.3113.2E104 R690 M691 T692E104-R694 IonicContact OE1-NH2 3.72Å; E104-R694 PolarHBondContact OE1-NH2 3.47Å; R690-R694 PolarHBondContact O-N 3.18Å; R690-R694 VanDerWaalsContact O-N 3.12Å; M691-R694 PolarHBondContact O-N 2.87Å; T692-R694 VanDerWaalsContact C-N 3.31Å; T692-R694 PolarHBondContact O-N 2.83Å
695S43.3Very low49.2Very low93 Ų93113.3 Ų113.365%0.6564%0.641SS**Hα-helixtrans-87.2-21.1179.4710000114.2M691 T692 L693 S697M691-S695 PolarHBondContact O-N 3.26Å; T692-S695 PolarHBondContact O-N 2.89Å; T692-S695 PolarHBondContact O-OG 2.95Å; L693-S695 VanDerWaalsContact C-N 3.31Å; S695-S697 PolarHBondContact O-N 3.31Å
696T38.6Very low47.5Very low98 Ų98119.9 Ų119.960%0.60166%0.664SS**  trans-92.672179.853.90000111.5T692 L693T692-T696 PolarHBondContact O-N 3.13Å; L693-T696 PolarHBondContact O-OG1 3.3Å
697S33.9Very low45.8Very low101 Ų101123.5 Ų123.571%0.70669%0.69SS**  trans-81.7139.6155.3-169.60000108.4S695 A699S695-S697 PolarHBondContact O-N 3.31Å; S697-A699 PolarHBondContact O-N 2.86Å
698P40.1Very low44.2Very low122 Ų122125.3 Ų125.379%0.79271%0.705SS**  trans-65.2110.5173.8-11.625.8000108.8A700P698-A700 PolarHBondContact O-N 3.24Å
699A36.4Very low42.6Very low98 Ų98125.8 Ų125.881%0.8172%0.715SS**  trans-63.8108.6171.100000108.4S697S697-A699 PolarHBondContact O-N 2.86Å
700A38.2Very low41.4Very low77 Ų77123.8 Ų123.864%0.63672%0.716SS**  trans-57.4140.9171.400000109.3P698 M702P698-A700 PolarHBondContact O-N 3.24Å; A700-M702 PolarHBondContact O-N 2.84Å
701P36.6Very low40.6Very low131 Ų131121 Ų12185%0.85172%0.721SS**  trans-68.799.5-177.827.4-33.7000110.3
702M36.5Very low39.6Very low176 Ų176121.4 Ų121.487%0.86773%0.725SS**PPolyproline II helixtrans-76.2125.9172.5-72.6-167.670.700110.7A700A700-M702 PolarHBondContact O-N 2.84Å
703V40.4Very low39Very low135 Ų135126.2 Ų126.282%0.81874%0.741SS**PPolyproline II helixtrans-69.9130.3169.2-179.20000108.8
704P34.3Very low38.7Very low123 Ų123127.4 Ų127.480%0.79976%0.755SS**PPolyproline II helixtrans-87.4138-174.533-34000113
705A36.7Very low38.2Very low90 Ų90121.5 Ų121.574%0.74476%0.755SS**  trans-145.1117.4167.300000112.2
706H38.2Very low38Very low177 Ų177125.9 Ų125.982%0.81977%0.768SS**  trans48.692.6153.1-62.7-71.5000122.2
707S33.8Very low37.7Very low101 Ų101125.7 Ų125.771%0.70678%0.776SS**  20.2121.1121.257.80000121.2
708S37Very low37.9Very low103 Ų103127.3 Ų127.372%0.7278%0.782SS**  166.7126.8106.758.10000113.9
709E37Very low37.5Very low175 Ų175129.4 Ų129.482%0.81879%0.787SS**  trans67.4147.2134.7-66.6-178.8-177.100120.5
710I39.4Very low37.6Very low131 Ų131132 Ų13267%0.67279%0.792SS**  cis-161.3147.311.2-122.1160.3000112.3
711S39.7Very low37.3Very low101 Ų101133.1 Ų133.171%0.70680%0.796SS**  trans60.2171.7155.774.90000122.3
712N39.1Very low37.4Very low138 Ų138133.4 Ų133.474%0.73880%0.796SS**  -171.7138.7-55.1-98-17.8000109
713H44.8Very low37.4Very low182 Ų182129.7 Ų129.784%0.84379%0.787SS**  158.8144.1125.1-93.3-73.8000115.3
714P41.7Very low37.1Very low127 Ų127127.9 Ų127.983%0.82578%0.78SS**  trans-124.2177.3-178.743.8-32.4000115.8
715G37.5Very low37.3Very low72 Ų72132 Ų13274%0.74279%0.785SS**  trans135.6150.3168.700000112.5
716M38Very low37Very low185 Ų185131.4 Ų131.491%0.91179%0.789SS**  cis-146.5166.10.7-76.3171.761.100109.6
717A33.2Very low36.8Very low94 Ų94128.4 Ų128.478%0.77779%0.787SS**  trans-114.1154.4169.500000111.4
718T37.8Very low37Very low136 Ų136128.6 Ų128.683%0.83479%0.788SS**  trans-137.7132.5170.249.40000111.7
719N32.2Very low36.7Very low165 Ų165135.2 Ų135.288%0.88280%0.798SS**  trans-102.5147.4174.4-74.6-37.5000110.6
720T36.7Very low36.5Very low152 Ų152134.9 Ų134.993%0.93380%0.801SS**  trans-138.5149.315740.80000110.6
721S33.7Very low36.1Very low101 Ų101134.6 Ų134.671%0.70681%0.807SS**  trans-136-174.9-156.957.90000113.3
722T37.4Very low35.8Very low138 Ų138134 Ų13485%0.84780%0.803SS**  trans80.4147.8172.481.30000115.8
723S36.5Very low35.3Very low98 Ų98136.4 Ų136.469%0.68582%0.816SS**  cis-152138.8-9.2870000108.7
724S34.9Very low34.9Very low96 Ų96130.9 Ų130.967%0.67180%0.798SS**  81.9142.486.892.60000117.7
725K37.4Very low34.7Very low209 Ų209136 Ų13691%0.90980%0.801SS**  trans75.1134-176.9-51.3173.8-177.4176.50115.6
726G31.1Very low35Very low79 Ų79137.9 Ų137.981%0.81479%0.794SS**  cis135.5100.8-11.200000114.1
727S34.7Very low35.5Very low113 Ų113136.5 Ų136.579%0.7979%0.785SS**  trans-164.7140.5155.4-155.60000115.3
728S36.4Very low36.5Very low105 Ų105140.7 Ų140.773%0.73479%0.788SS**  trans21.3133.6150.1590000123.7
729R30.7Very low38.1Very low243 Ų243136.3 Ų136.392%0.91776%0.76SS**  trans-65.4146.1165.8-59168.7173.6176.4-3.3113.7
730L33Very low40.2Very low168 Ų168132.7 Ų132.788%0.8873%0.734SS**  trans-151.9156136.8-91.7178.6000108.7
731P32.4Very low42.5Very low124 Ų124127.4 Ų127.481%0.80570%0.699SS**  trans-94.1142.3-162.235.3-34.1000114.7
732S31.9Very low45.1Very low90 Ų90123.3 Ų123.363%0.62967%0.669SS**  trans-133.7125.8172.756.90000113.2S734S732-S734 PolarHBondContact O-N 3.15Å
733N29.9Very low47.5Very low188 Ų188116.7 Ų116.7100%1.00563%0.629SS**SBendtrans-80.854177.2-88.6-21.2000112.1
734S36.3Very low50.1Low66 Ų66112 Ų11246%0.46260%0.596SS.*  trans-121.40.3-174.660.80000116S732 D736S732-S734 PolarHBondContact O-N 3.15Å; S734-D736 PolarHBondContact O-N 3.46Å; S734-D736 VanDerWaalsContact O-N 3.1Å
735R36.3Very low52.7Low234 Ų234111.4 Ų111.488%0.88358%0.581SS**THydrogen-bonded Turntrans-66.8-11.3-173.4-81.7-175.5170.4177.3-3.5116.4
736D45.5Very low55.1Low112 Ų112103 Ų10360%0.59955%0.546SS*.THydrogen-bonded Turntrans-92.4-4.7-170.9-150.569.4000115.1S734 R740S734-D736 PolarHBondContact O-N 3.46Å; S734-D736 VanDerWaalsContact O-N 3.1Å; D736-R740 PolarHBondContact O-NE 2.75Å; D736-R740 VanDerWaalsContact O-NE 3.16Å; D736-R740 PolarHBondContact O-NH2 2.98Å; D736-R740 IonicContact OD2-CZ 3.76Å; D736-R740 IonicContact OD2-NH2 3.71Å; D736-R740 PolarHBondContact OD2-NH2 3.49Å
737Q47.4Very low57.6Low156 Ų156104.1 Ų104.173%0.72953%0.528SS*.SBendtrans-87.8-26.4176.4-89.7176.4-28.500113.8
738H54.5Low59.7Low182 Ų182101.6 Ų101.684%0.84350%0.501SS*.SBendtrans-85.9-8.1-175.1-80-75.7000115.7R740H738-R740 VanDerWaalsContact C-N 3.35Å
739D70.5Confident61.7Low44 Ų44100.1 Ų100.124%0.23548%0.484CS..SBendtrans-97.330.3177.9-162.4-16.9000111.8S679 A680 R681S679-D739 WeakPolarHBondContact CA-O 3.5Å; S679-D739 PolarHBondContact OG-OD1 2.89Å; A680-D739 PolarHBondContact N-OD1 3.19Å; R681-D739 IonicContact CZ-OD2 2.68Å; R681-D739 IonicContact NE-OD2 3.69Å; R681-D739 PolarHBondContact NE-OD2 3.36Å; R681-D739 IonicContact NH2-OD2 3.2Å
740R77.3Confident63.5Low89 Ų8993.8 Ų93.834%0.33646%0.46SS..EExtended strand (participates in β ladder)trans-131.4113-177.3-57.2-176.8-163.5-179.96.1111K615 Y677 V678 D736 H738K615-R740 VanDerWaalsContact NZ-NH2 3.16Å; Y677-R740 HydrophobicContact CD1-CB 4.09Å; V678-R740 WeakPolarHBondContact O-CA 3.45Å; D736-R740 PolarHBondContact O-NE 2.75Å; D736-R740 VanDerWaalsContact O-NE 3.16Å; D736-R740 PolarHBondContact O-NH2 2.98Å; D736-R740 IonicContact OD2-CZ 3.76Å; D736-R740 IonicContact OD2-NH2 3.71Å; D736-R740 PolarHBondContact OD2-NH2 3.49Å; H738-R740 VanDerWaalsContact C-N 3.35Å
741M84.4Confident65.2Low40 Ų4086.4 Ų86.420%0.19743%0.425CS..EExtended strand (participates in β ladder)trans-93.7152.9169.5-57.5-175.179.500109.8I624 N627 Y677 V678 A680 V683I624-M741 HydrophobicContact CG2-CE 3.59Å; I624-M741 HydrophobicContact CG2-SD 4.37Å; N627-M741 WeakPolarHBondContact OD1-CE 3.25Å; Y677-M741 WeakPolarHBondContact CA-O 3.48Å; V678-M741 PolarHBondContact N-O 2.56Å; V678-M741 PolarHBondContact O-N 2.66Å; A680-M741 HydrophobicContact CB-CG 4.25Å; A680-M741 HydrophobicContact CB-SD 4.27Å; V683-M741 HydrophobicContact CB-SD 4.34Å; V683-M741 HydrophobicContact CG2-SD 3.92Å
742L88.5Confident66.9Low15 Ų1580.6 Ų80.68%0.07939%0.387CS..EExtended strand (participates in β ladder)trans-87.7136172.5-174.860.9000110L613 V625 P631 V634L613-L742 HydrophobicContact CD1-CD1 3.66Å; V625-L742 HydrophobicContact CB-CB 4.47Å; V625-L742 HydrophobicContact CB-CG 4.45Å; V625-L742 HydrophobicContact CG2-CG 4.37Å; V625-L742 PolarHBondContact N-O 3.3Å; P631-L742 HydrophobicContact CB-CD1 4.24Å; P631-L742 HydrophobicContact CB-CD2 4.17Å; P631-L742 HydrophobicContact CG-CD1 3.89Å; P631-L742 HydrophobicContact CG-CD2 3.84Å; P631-L742 HydrophobicContact CG-CG 4.49Å; V634-L742 HydrophobicContact CB-CD2 4.18Å; V634-L742 HydrophobicContact CG2-CD2 3.55Å
743G89.2Confident68.8Low0 Ų076.4 Ų76.40%036%0.358CS..EExtended strand (participates in β ladder)trans-136.4160.2175.500000112.5L623 V676L623-G743 CarbonylContact O-C 3.46Å; L623-G743 WeakPolarHBondContact O-CA 3.33Å; V676-G743 WeakPolarHBondContact CG2-O 3.48Å; V676-G743 PolarHBondContact N-O 3.28Å; V676-G743 PolarHBondContact O-N 2.96Å
744I90.1Very high70.9Confident0 Ų068.3 Ų68.30%031%0.314CS..EExtended strand (participates in β ladder)trans-115.6108.6174.3-60.7155.5000106.9V622 L623 V625 V634 I638 L673 M746 L764 L769V622-I744 WeakPolarHBondContact CA-O 3.39Å; L623-I744 PolarHBondContact N-O 3.45Å; L623-I744 PolarHBondContact O-N 3.36Å; V625-I744 HydrophobicContact CG2-CD1 3.54Å; V625-I744 HydrophobicContact CG2-CG1 3.77Å; V634-I744 HydrophobicContact CG1-CD1 3.98Å; V634-I744 HydrophobicContact CG1-CG1 4.25Å; I638-I744 HydrophobicContact CD1-CD1 3.84Å; I638-I744 HydrophobicContact CD1-CG1 4.17Å; L673-I744 HydrophobicContact CB-CG2 4.23Å; L673-I744 HydrophobicContact CD2-CG2 4.34Å; I744-M746 HydrophobicContact CG2-CG 4.29Å; I744-L764 HydrophobicContact CD1-CD2 3.74Å; I744-L764 HydrophobicContact CG2-CD2 4.46Å; I744-L769 HydrophobicContact CD1-CD1 3.67Å
745K88.5Confident72.9Confident83 Ų8365.8 Ų65.836%0.36130%0.295SS..EExtended strand (participates in β ladder)trans-81.7118.6173.7-176.7-176.7176.5-1690108.6V622 E674 V676V622-K745 HydrophobicContact CG2-CB 4.07Å; V622-K745 HydrophobicContact CG2-CG 4.15Å; E674-K745 HydrophobicContact CB-CB 4.38Å; E674-K745 PolarHBondContact N-O 3.24Å; E674-K745 PolarHBondContact O-N 2.88Å; V676-K745 HydrophobicContact CG1-CB 4.13Å; V676-K745 HydrophobicContact CG2-CB 4.07Å
746M88.1Confident75.1Confident32 Ų3255.5 Ų55.516%0.15826%0.256CS..EExtended strand (participates in β ladder)trans-100.9133.6-179-53.9168.3-80.600108.9N621 L623 E672 L673 I744 Y756 C760 L764N621-M746 VanDerWaalsContact CB-O 3.27Å; N621-M746 WeakPolarHBondContact CB-O 3.49Å; N621-M746 WeakPolarHBondContact O-CE 3.36Å; N621-M746 PolarHBondContact O-N 3.38Å; L623-M746 HydrophobicContact CB-CE 4.1Å; E672-M746 CarbonylContact O-C 3.58Å; E672-M746 WeakPolarHBondContact O-CA 3.38Å; L673-M746 HydrophobicContact CD2-CB 4.21Å; L673-M746 HydrophobicContact CD2-CG 3.76Å; I744-M746 HydrophobicContact CG2-CG 4.29Å; M746-Y756 WeakPolarHBondContact CB-OH 3.32Å; M746-Y756 PolarHBondContact O-OH 3.47Å; M746-C760 HydrophobicContact SD-CB 4.23Å; M746-L764 HydrophobicContact SD-CD1 3.5Å; M746-L764 WeakPolarHBondContact SD-CD1 3.37Å
747K83.4Confident76.7Confident103 Ų10351.5 Ų51.545%0.44824%0.236SC..EExtended strand (participates in β ladder)trans-136.2114.5177.8-177.6-172.7173.4-1690110.8F671 E672 I749 Y756F671-K747 CarbonylContact C-O 3.47Å; F671-K747 WeakPolarHBondContact CA-O 3.27Å; F671-K747 WeakPolarHBondContact CB-O 3.14Å; E672-K747 HydrophobicContact CB-CB 4.29Å; E672-K747 PolarHBondContact N-O 2.88Å; E672-K747 PolarHBondContact O-N 3.34Å; K747-I749 PolarHBondContact O-N 3.32Å; K747-Y756 PolarHBondContact N-OH 2.88Å
748R80.7Confident78.2Confident59 Ų5945.8 Ų45.822%0.22321%0.213CC..EExtended strand (participates in β ladder)trans-64.1130.8166.9-170.2171.166.4146.3-14.2109.4E95 E138 G751 S753 Y756E95-R748 IonicContact OE1-NH2 2.67Å; E95-R748 PolarHBondContact OE1-NH2 3.48Å; E95-R748 IonicContact OE2-NH2 2.71Å; E95-R748 PolarHBondContact OE2-NH2 2.93Å; E138-R748 IonicContact OE1-NH1 2.86Å; E138-R748 PolarHBondContact OE1-NH1 2.77Å; E138-R748 VanDerWaalsContact OE1-NH1 3.07Å; R748-G751 WeakPolarHBondContact CD-O 3.31Å; R748-G751 PolarHBondContact NH1-O 3.24Å; R748-S753 PolarHBondContact NE-OG 3.31Å; R748-S753 PolarHBondContact NH1-OG 3.26Å; R748-S753 PolarHBondContact NH2-OG 3.22Å; R748-Y756 HydrophobicContact CB-CD1 3.98Å; R748-Y756 HydrophobicContact CB-CD2 3.95Å; R748-Y756 HydrophobicContact CB-CE1 3.94Å; R748-Y756 HydrophobicContact CB-CE2 3.92Å; R748-Y756 HydrophobicContact CB-CG 3.97Å; R748-Y756 HydrophobicContact CG-CD1 4.32Å; R748-Y756 HydrophobicContact CG-CD2 4.17Å; R748-Y756 HydrophobicContact CG-CG 4Å; R748-Y756 PolarHBondContact N-OH 2.87Å
749I77.4Confident79.6Confident75 Ų7538 Ų3839%0.38518%0.177SC..EExtended strand (participates in β ladder)trans-101-45.2170.4-62.9163.7000109.7L657 S670 E672 K747L657-I749 HydrophobicContact CD1-CD1 3.25Å; S670-I749 WeakPolarHBondContact O-CA 3.37Å; S670-I749 WeakPolarHBondContact O-CB 3.07Å; S670-I749 PolarHBondContact O-N 3.48Å; E672-I749 HydrophobicContact CG-CD1 3.48Å; E672-I749 VanDerWaalsContact CG-CD1 3.48Å; E672-I749 HydrophobicContact CG-CG1 3.96Å; K747-I749 PolarHBondContact O-N 3.32Å
750R69.4Low80.4Confident109 Ų10936.1 Ų36.141%0.41117%0.168SC..EExtended strand (participates in β ladder)trans-155.1145.7-178-173.4179-172169.75.9110.7C169 L669 S670C169-R750 VanDerWaalsContact CB-NH2 3.33Å; C169-R750 PolarHBondContact SG-NH2 3.46Å; C169-R750 VanDerWaalsContact SG-NH2 3.39Å; L669-R750 CarbonylContact C-O 3.6Å; L669-R750 WeakPolarHBondContact CA-O 3.37Å; L669-R750 VanDerWaalsContact CD1-O 3.29Å; L669-R750 WeakPolarHBondContact CD1-O 3.49Å; S670-R750 PolarHBondContact N-O 2.91Å; S670-R750 PolarHBondContact O-N 2.95Å
751G67.4Low80.7Confident13 Ų1338.6 Ų38.613%0.13418%0.177CC..SBendtrans113176.3169.100000112.5R748R748-G751 WeakPolarHBondContact CD-O 3.31Å; R748-G751 PolarHBondContact NH1-O 3.24Å
752D68.3Low80.8Confident2 Ų238.9 Ų38.91%0.01118%0.181CC..  trans-60.7134.6-174.8178.3113.3000111.7Y174 F754 M755 Y756Y174-D752 WeakPolarHBondContact CE2-OD1 3.27Å; D752-F754 WeakPolarHBondContact OD2-CA 3.29Å; D752-F754 WeakPolarHBondContact OD2-CB 3.35Å; D752-F754 PolarHBondContact OD2-N 3.35Å; D752-M755 HydrophobicContact CB-CB 3.91Å; D752-M755 PolarHBondContact O-N 2.94Å; D752-M755 PolarHBondContact OD2-N 3.05Å; D752-Y756 WeakPolarHBondContact O-CB 3.36Å; D752-Y756 PolarHBondContact O-N 2.57Å
753S72.4Confident80.7Confident2 Ų238.2 Ų38.21%0.01418%0.178CC..Hα-helixtrans-73-31.4-173.5-132.30000114.1F97 E138 R748 T757F97-S753 WeakPolarHBondContact CD1-OG 3.03Å; F97-S753 WeakPolarHBondContact CE1-OG 3.48Å; F97-S753 VanDerWaalsContact CZ-CB 3.46Å; F97-S753 VanDerWaalsContact CZ-O 3.24Å; F97-S753 WeakPolarHBondContact CZ-O 3.38Å; E138-S753 WeakPolarHBondContact OE1-CB 3.37Å; E138-S753 PolarHBondContact OE1-N 3.38Å; R748-S753 PolarHBondContact NE-OG 3.31Å; R748-S753 PolarHBondContact NH1-OG 3.26Å; R748-S753 PolarHBondContact NH2-OG 3.22Å; S753-T757 WeakPolarHBondContact O-CB 3.45Å; S753-T757 PolarHBondContact O-N 2.69Å; S753-T757 PolarHBondContact O-OG1 3.11Å
754F74.5Confident80.6Confident18 Ų1838.4 Ų38.48%0.07918%0.179CC..Hα-helixtrans-71.8-41.4172.1-80.3-77.8000111.1F97 I100 Y174 A201 L207 D752 T757 S758F97-F754 HydrophobicContact CD2-CD2 4.02Å; F97-F754 AromaticContact CD2-CE2 3.78Å; F97-F754 HydrophobicContact CD2-CE2 3.78Å; F97-F754 HydrophobicContact CD2-CZ 4.14Å; F97-F754 HydrophobicContact CE2-CB 4.47Å; F97-F754 AromaticContact CE2-CD1 3.89Å; F97-F754 HydrophobicContact CE2-CD1 3.89Å; F97-F754 AromaticContact CE2-CD2 3.56Å; F97-F754 HydrophobicContact CE2-CD2 3.56Å; F97-F754 AromaticContact CE2-CE1 3.9Å; F97-F754 HydrophobicContact CE2-CE1 3.9Å; F97-F754 AromaticContact CE2-CE2 3.59Å; F97-F754 HydrophobicContact CE2-CE2 3.59Å; F97-F754 AromaticContact CE2-CG 3.71Å; F97-F754 HydrophobicContact CE2-CG 3.71Å; F97-F754 AromaticContact CE2-CZ 3.75Å; F97-F754 HydrophobicContact CE2-CZ 3.75Å; F97-F754 HydrophobicContact CZ-CG 4.49Å; I100-F754 HydrophobicContact CG2-CZ 4.36Å; Y174-F754 VanDerWaalsContact OH-CD2 3.24Å; Y174-F754 WeakPolarHBondContact OH-CD2 3.29Å; Y174-F754 WeakPolarHBondContact OH-CE2 3.22Å; A201-F754 HydrophobicContact CB-CE2 4.06Å; A201-F754 HydrophobicContact CB-CZ 3.91Å; L207-F754 HydrophobicContact CD1-CB 3.54Å; L207-F754 HydrophobicContact CD1-CD2 3.76Å; L207-F754 HydrophobicContact CD1-CG 3.77Å; L207-F754 HydrophobicContact CD2-CD2 3.84Å; L207-F754 HydrophobicContact CD2-CE2 4.02Å; L207-F754 HydrophobicContact CD2-CG 4.5Å; L207-F754 HydrophobicContact CG-CB 4.11Å; L207-F754 HydrophobicContact CG-CD1 4.38Å; L207-F754 HydrophobicContact CG-CD2 3.62Å; L207-F754 HydrophobicContact CG-CE2 4.11Å; L207-F754 HydrophobicContact CG-CG 3.78Å; D752-F754 WeakPolarHBondContact OD2-CA 3.29Å; D752-F754 WeakPolarHBondContact OD2-CB 3.35Å; D752-F754 PolarHBondContact OD2-N 3.35Å; F754-T757 PolarHBondContact O-N 3.37Å; F754-S758 WeakPolarHBondContact O-CB 3.5Å; F754-S758 PolarHBondContact O-N 3.06Å
755M77.1Confident80.5Confident13 Ų1342.1 Ų42.16%0.06420%0.198CC..Hα-helixtrans-59.7-46.5172.7-175.1-172-72.900110.9P211 F660 V668 L669 D752 T757 S758 L759P211-M755 HydrophobicContact CB-CB 4.31Å; P211-M755 HydrophobicContact CB-CE 4.09Å; P211-M755 HydrophobicContact CG-CB 4.29Å; P211-M755 WeakPolarHBondContact O-CE 3.41Å; F660-M755 HydrophobicContact CD1-SD 4.37Å; V668-M755 HydrophobicContact CG1-CE 3.66Å; V668-M755 HydrophobicContact CG1-SD 3.65Å; L669-M755 HydrophobicContact CB-SD 3.99Å; L669-M755 HydrophobicContact CD2-CG 4.46Å; D752-M755 HydrophobicContact CB-CB 3.91Å; D752-M755 PolarHBondContact O-N 2.94Å; D752-M755 PolarHBondContact OD2-N 3.05Å; M755-T757 PolarHBondContact O-N 2.9Å; M755-S758 PolarHBondContact O-N 2.91Å; M755-L759 WeakPolarHBondContact O-CB 3.3Å; M755-L759 PolarHBondContact O-N 2.87Å
756Y82.2Confident80.5Confident19 Ų1941.6 Ų41.68%0.07520%0.199CC..Hα-helixtrans-54.6-50.4173.9168-113.3000112L669 F671 M746 K747 R748 D752 C760L669-Y756 HydrophobicContact CD1-CD2 4.47Å; F671-Y756 HydrophobicContact CB-CD2 3.84Å; F671-Y756 HydrophobicContact CB-CE2 3.65Å; F671-Y756 HydrophobicContact CD2-CE2 4.31Å; F671-Y756 HydrophobicContact CG-CD2 4.17Å; F671-Y756 HydrophobicContact CG-CE2 4.14Å; M746-Y756 WeakPolarHBondContact CB-OH 3.32Å; M746-Y756 PolarHBondContact O-OH 3.47Å; K747-Y756 PolarHBondContact N-OH 2.88Å; R748-Y756 HydrophobicContact CB-CD1 3.98Å; R748-Y756 HydrophobicContact CB-CD2 3.95Å; R748-Y756 HydrophobicContact CB-CE1 3.94Å; R748-Y756 HydrophobicContact CB-CE2 3.92Å; R748-Y756 HydrophobicContact CB-CG 3.97Å; R748-Y756 HydrophobicContact CG-CD1 4.32Å; R748-Y756 HydrophobicContact CG-CD2 4.17Å; R748-Y756 HydrophobicContact CG-CG 4Å; R748-Y756 PolarHBondContact N-OH 2.87Å; D752-Y756 WeakPolarHBondContact O-CB 3.36Å; D752-Y756 PolarHBondContact O-N 2.57Å; Y756-C760 WeakPolarHBondContact CE2-SG 3.1Å; Y756-C760 VanDerWaalsContact O-CB 3.28Å; Y756-C760 WeakPolarHBondContact O-CB 3.5Å; Y756-C760 PolarHBondContact O-N 3.43Å; Y756-C760 PolarHBondContact O-SG 3.48Å
757T79.5Confident80.5Confident28 Ų2840.4 Ų40.417%0.17220%0.195CC..Hα-helixtrans-69.3-41.5-176.2-57.80000112F97 L101 S753 F754 M755 R761F97-T757 WeakPolarHBondContact CZ-OG1 2.97Å; L101-T757 HydrophobicContact CD1-CG2 3.94Å; L101-T757 HydrophobicContact CD2-CG2 4.03Å; S753-T757 WeakPolarHBondContact O-CB 3.45Å; S753-T757 PolarHBondContact O-N 2.69Å; S753-T757 PolarHBondContact O-OG1 3.11Å; F754-T757 PolarHBondContact O-N 3.37Å; M755-T757 PolarHBondContact O-N 2.9Å; T757-R761 VanDerWaalsContact O-CB 3.29Å; T757-R761 WeakPolarHBondContact O-CB 3.48Å; T757-R761 PolarHBondContact O-N 3.13Å
758S80.1Confident80.7Confident36 Ų3637.2 Ų37.225%0.25219%0.191SC..Hα-helixtrans-63.5-49.6175.7-169.70000110.9T212 F754 M755 C760 R761 T762T212-S758 WeakPolarHBondContact CG2-OG 3.5Å; F754-S758 WeakPolarHBondContact O-CB 3.5Å; F754-S758 PolarHBondContact O-N 3.06Å; M755-S758 PolarHBondContact O-N 2.91Å; S758-C760 PolarHBondContact O-N 2.96Å; S758-R761 WeakPolarHBondContact O-CB 3.15Å; S758-R761 PolarHBondContact O-N 3.03Å; S758-T762 PolarHBondContact O-N 3.24Å; S758-T762 PolarHBondContact O-OG1 3.41Å; S758-T762 VanDerWaalsContact O-OG1 3.12Å
759L83.9Confident80.9Confident18 Ų1834.4 Ų34.49%0.09418%0.18CC..Hα-helixtrans-65.6-41.6-180-163.470.6000111.9I647 F660 L669 F671 M755 T762 I763I647-L759 HydrophobicContact CD1-CD1 4.05Å; I647-L759 HydrophobicContact CD1-CD2 3.77Å; I647-L759 HydrophobicContact CD1-CG 3.93Å; I647-L759 HydrophobicContact CG1-CD2 4.43Å; F660-L759 HydrophobicContact CB-CD2 4.08Å; F660-L759 HydrophobicContact CD2-CD2 4.45Å; F660-L759 HydrophobicContact CG-CD2 4.18Å; L669-L759 HydrophobicContact CD2-CB 4.38Å; L669-L759 HydrophobicContact CD2-CD2 3.65Å; F671-L759 HydrophobicContact CE1-CD2 3.88Å; F671-L759 HydrophobicContact CZ-CD2 4.14Å; M755-L759 WeakPolarHBondContact O-CB 3.3Å; M755-L759 PolarHBondContact O-N 2.87Å; L759-T762 PolarHBondContact O-N 2.67Å; L759-I763 HydrophobicContact CG-CD1 4.08Å; L759-I763 VanDerWaalsContact O-CD1 3.31Å; L759-I763 WeakPolarHBondContact O-CD1 3.35Å; L759-I763 WeakPolarHBondContact O-CG1 3.44Å; L759-I763 PolarHBondContact O-N 2.99Å
760C85.7Confident80.7Confident5 Ų535.8 Ų35.83%0.03418%0.18CC..Hα-helixtrans-62.8-42.1173.9-69.80000111.9M746 Y756 S758 I763 L764M746-C760 HydrophobicContact SD-CB 4.23Å; Y756-C760 WeakPolarHBondContact CE2-SG 3.1Å; Y756-C760 VanDerWaalsContact O-CB 3.28Å; Y756-C760 WeakPolarHBondContact O-CB 3.5Å; Y756-C760 PolarHBondContact O-N 3.43Å; Y756-C760 PolarHBondContact O-SG 3.48Å; S758-C760 PolarHBondContact O-N 2.96Å; C760-I763 PolarHBondContact O-N 3.45Å; C760-L764 WeakPolarHBondContact O-CB 3.25Å; C760-L764 VanDerWaalsContact O-CD1 3.29Å; C760-L764 WeakPolarHBondContact O-CD1 3.31Å; C760-L764 WeakPolarHBondContact O-CG 3.29Å; C760-L764 PolarHBondContact O-N 3.1Å
761R83.8Confident80.5Confident140 Ų14032.9 Ų32.953%0.52818%0.177SC..Hα-helixtrans-56.3-54.7172.3171.9177.9-73.4139.3-5.9110T757 S758 I763 L764 D765T757-R761 VanDerWaalsContact O-CB 3.29Å; T757-R761 WeakPolarHBondContact O-CB 3.48Å; T757-R761 PolarHBondContact O-N 3.13Å; S758-R761 WeakPolarHBondContact O-CB 3.15Å; S758-R761 PolarHBondContact O-N 3.03Å; R761-I763 PolarHBondContact O-N 3.38Å; R761-L764 PolarHBondContact O-N 3.43Å; R761-D765 WeakPolarHBondContact CG-OD2 3.4Å; R761-D765 WeakPolarHBondContact O-CB 3.24Å; R761-D765 PolarHBondContact O-N 3.27Å; R761-D765 VanDerWaalsContact O-OD1 3.11Å
762T86.3Confident79.9Confident47 Ų4741.7 Ų41.729%0.28822%0.215SC..Hα-helixtrans-55.8-44.8178.8-59.60000113.1Q645 S758 L759 L766Q645-T762 HydrophobicContact CG-CG2 4.43Å; S758-T762 PolarHBondContact O-N 3.24Å; S758-T762 PolarHBondContact O-OG1 3.41Å; S758-T762 VanDerWaalsContact O-OG1 3.12Å; L759-T762 PolarHBondContact O-N 2.67Å; T762-L766 HydrophobicContact CG2-CD1 3.85Å; T762-L766 HydrophobicContact CG2-CG 4.37Å; T762-L766 VanDerWaalsContact O-CB 3.28Å; T762-L766 WeakPolarHBondContact O-CB 3.22Å; T762-L766 WeakPolarHBondContact O-CG 3.43Å; T762-L766 PolarHBondContact O-N 2.94Å
763I87.5Confident78.6Confident0 Ų051.5 Ų51.50%027%0.267CS..Hα-helixtrans-62.5-45.8177.8-65.4156.2000111.3A641 L642 I647 F671 L673 L759 C760 R761 A767A641-I763 HydrophobicContact CB-CG2 4.06Å; A641-I763 WeakPolarHBondContact CB-O 3.39Å; L642-I763 HydrophobicContact CD2-CD1 3.79Å; L642-I763 HydrophobicContact CD2-CG1 4.2Å; L642-I763 HydrophobicContact CD2-CG2 4.17Å; L642-I763 HydrophobicContact CG-CG2 4.41Å; I647-I763 HydrophobicContact CD1-CD1 3.57Å; I647-I763 HydrophobicContact CD1-CG1 3.86Å; F671-I763 HydrophobicContact CE2-CD1 3.86Å; F671-I763 HydrophobicContact CZ-CD1 3.57Å; L673-I763 HydrophobicContact CD1-CG2 4.34Å; L759-I763 HydrophobicContact CG-CD1 4.08Å; L759-I763 VanDerWaalsContact O-CD1 3.31Å; L759-I763 WeakPolarHBondContact O-CD1 3.35Å; L759-I763 WeakPolarHBondContact O-CG1 3.44Å; L759-I763 PolarHBondContact O-N 2.99Å; C760-I763 PolarHBondContact O-N 3.45Å; R761-I763 PolarHBondContact O-N 3.38Å; I763-A767 WeakPolarHBondContact O-CB 3.32Å; I763-A767 PolarHBondContact O-N 3.4Å
764L87.2Confident78.9Confident4 Ų454 Ų542%0.02128%0.28CS..Hα-helixtrans-73.4-30.4-175.6-65.2165.2000112.2L623 I744 M746 C760 R761 G768 L769L623-L764 HydrophobicContact CD2-CB 4.15Å; L623-L764 HydrophobicContact CD2-CD1 3.92Å; L623-L764 HydrophobicContact CD2-CD2 3.97Å; L623-L764 HydrophobicContact CD2-CG 4.22Å; I744-L764 HydrophobicContact CD1-CD2 3.74Å; I744-L764 HydrophobicContact CG2-CD2 4.46Å; M746-L764 HydrophobicContact SD-CD1 3.5Å; M746-L764 WeakPolarHBondContact SD-CD1 3.37Å; C760-L764 WeakPolarHBondContact O-CB 3.25Å; C760-L764 VanDerWaalsContact O-CD1 3.29Å; C760-L764 WeakPolarHBondContact O-CD1 3.31Å; C760-L764 WeakPolarHBondContact O-CG 3.29Å; C760-L764 PolarHBondContact O-N 3.1Å; R761-L764 PolarHBondContact O-N 3.43Å; L764-G768 PolarHBondContact O-N 3.35Å; L764-L769 HydrophobicContact CD2-CD1 4.02Å; L764-L769 PolarHBondContact O-N 3.46Å
765D86.3Confident79.1Confident78 Ų7855.8 Ų55.842%0.41729%0.29SS..Hα-helixtrans-74-46175.4-61-4.3000110.2R761 A767 G768 R770R761-D765 WeakPolarHBondContact CG-OD2 3.4Å; R761-D765 WeakPolarHBondContact O-CB 3.24Å; R761-D765 PolarHBondContact O-N 3.27Å; R761-D765 VanDerWaalsContact O-OD1 3.11Å; D765-A767 VanDerWaalsContact C-N 3.29Å; D765-A767 PolarHBondContact O-N 3.38Å; D765-G768 PolarHBondContact O-N 3.26Å; D765-R770 IonicContact OD1-CZ 2.79Å; D765-R770 IonicContact OD1-NE 3.61Å; D765-R770 PolarHBondContact OD1-NE 3.36Å; D765-R770 IonicContact OD1-NH2 3.74Å; D765-R770 PolarHBondContact OD1-NH2 2.77Å; D765-R770 IonicContact OD2-NH2 2.64Å
766L89.4Confident79.2Confident72 Ų7258.2 Ų58.238%0.37730%0.303SS..Hα-helixtrans-61.5-35173-75.3172.7000113A641 Q645 T762 G768A641-L766 HydrophobicContact CB-CB 3.92Å; Q645-L766 HydrophobicContact CG-CD1 3.64Å; T762-L766 HydrophobicContact CG2-CD1 3.85Å; T762-L766 HydrophobicContact CG2-CG 4.37Å; T762-L766 VanDerWaalsContact O-CB 3.28Å; T762-L766 WeakPolarHBondContact O-CB 3.22Å; T762-L766 WeakPolarHBondContact O-CG 3.43Å; T762-L766 PolarHBondContact O-N 2.94Å; L766-G768 VanDerWaalsContact C-N 3.26Å; L766-G768 PolarHBondContact O-N 3.1Å
767A88.6Confident79Confident8 Ų860.5 Ų60.57%0.06632%0.316CS..THydrogen-bonded Turntrans-76-11.7175.700000113.2Q637 A641 I763 D765 L769Q637-A767 HydrophobicContact CB-CB 4.09Å; Q637-A767 PolarHBondContact OE1-O 2.77Å; A641-A767 HydrophobicContact CB-CB 3.98Å; I763-A767 WeakPolarHBondContact O-CB 3.32Å; I763-A767 PolarHBondContact O-N 3.4Å; D765-A767 VanDerWaalsContact C-N 3.29Å; D765-A767 PolarHBondContact O-N 3.38Å; A767-L769 HydrophobicContact CB-CD1 3.39Å; A767-L769 HydrophobicContact CB-CG 3.61Å
768G87.6Confident79Confident35 Ų3562.6 Ų62.636%0.36133%0.325SS..THydrogen-bonded Turntrans7028.1176.900000114.8R626 L764 D765 L766R626-G768 WeakPolarHBondContact CD-O 3.43Å; L764-G768 PolarHBondContact O-N 3.35Å; D765-G768 PolarHBondContact O-N 3.26Å; L766-G768 VanDerWaalsContact C-N 3.26Å; L766-G768 PolarHBondContact O-N 3.1Å
769L84.5Confident78.9Confident0 Ų064.3 Ų64.30%033%0.33CS..  trans-91.9-15.5-163-67.4169.8000115.7V625 R626 L629 V634 Q637 I638 I744 L764 A767V625-L769 WeakPolarHBondContact CA-O 3.2Å; V625-L769 HydrophobicContact CG1-CB 4.34Å; V625-L769 HydrophobicContact CG1-CD2 3.99Å; V625-L769 WeakPolarHBondContact CG1-O 3.39Å; R626-L769 PolarHBondContact N-O 3.3Å; R626-L769 VanDerWaalsContact N-O 3.16Å; L629-L769 HydrophobicContact CD1-CD2 3.69Å; V634-L769 HydrophobicContact CB-CD2 4.19Å; V634-L769 HydrophobicContact CG1-CD1 4.3Å; V634-L769 HydrophobicContact CG1-CD2 3.89Å; V634-L769 HydrophobicContact CG2-CD2 3.93Å; Q637-L769 HydrophobicContact CB-CD2 4.38Å; I638-L769 HydrophobicContact CD1-CD1 4.11Å; I638-L769 HydrophobicContact CG1-CD1 3.55Å; I744-L769 HydrophobicContact CD1-CD1 3.67Å; L764-L769 HydrophobicContact CD2-CD1 4.02Å; L764-L769 PolarHBondContact O-N 3.46Å; A767-L769 HydrophobicContact CB-CD1 3.39Å; A767-L769 HydrophobicContact CB-CG 3.61Å
770R74.1Confident78.6Confident104 Ų10467.6 Ų67.639%0.39235%0.347SS..BIsolated β-bridgetrans-65.2141.2-175.6-65-170.5-172.9-103-10.3111.8L623 D765L623-R770 HydrophobicContact CD1-CG 4.49Å; L623-R770 HydrophobicContact CD2-CG 4.34Å; D765-R770 IonicContact OD1-CZ 2.79Å; D765-R770 IonicContact OD1-NE 3.61Å; D765-R770 PolarHBondContact OD1-NE 3.36Å; D765-R770 IonicContact OD1-NH2 3.74Å; D765-R770 PolarHBondContact OD1-NH2 2.77Å; D765-R770 IonicContact OD2-NH2 2.64Å
771S64.9Low78Confident49 Ų4972.5 Ų72.534%0.34337%0.371SS..  trans-61.8142156.5175.40000109.7N773S771-N773 VanDerWaalsContact CB-O 3.22Å; S771-N773 WeakPolarHBondContact CB-O 3.43Å; S771-N773 PolarHBondContact O-N 3.25Å; S771-N773 PolarHBondContact OG-N 2.77Å; S771-N773 VanDerWaalsContact OG-N 3.16Å; S771-N773 PolarHBondContact OG-O 2.78Å
772E55.1Low77.6Confident197 Ų19766.8 Ų66.892%0.92136%0.358SS*.  trans-73.1-9.2172-64.9-178.5155.600112.8
773N39.4Very low76.8Confident208 Ų20868.6 Ų68.6100%1.11237%0.365SS*.  trans-123.80175.7-61.8-71.1000112S771S771-N773 VanDerWaalsContact CB-O 3.22Å; S771-N773 WeakPolarHBondContact CB-O 3.43Å; S771-N773 PolarHBondContact O-N 3.25Å; S771-N773 PolarHBondContact OG-N 2.77Å; S771-N773 VanDerWaalsContact OG-N 3.16Å; S771-N773 PolarHBondContact OG-O 2.78Å

Retrieved 773 of 773 residues in 137.9 ms (Link to these results)

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