A0A077Z3M8_TRITR Loading...

Glutathione synthetase

AlphaFold DB , UniProt , Accession A0A077Z3M8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,224 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
1M79.5Confident80.6Confident53 Ų5372.5 Ų72.526%0.26135%0.353SS..  0-72.60-69-178.6-80.800112.4R3 N4 L5 I48 I51 K52 F59 L62 L78M1-R3 PolarHBondContact O-N 2.62Å; M1-R3 VanDerWaalsContact O-N 3.15Å; M1-N4 CarbonylContact O-C 3.48Å; M1-N4 WeakPolarHBondContact O-CA 3.48Å; M1-N4 PolarHBondContact O-N 2.94Å; M1-L5 PolarHBondContact O-N 3.38Å; M1-I48 HydrophobicContact CG-CD1 4.17Å; M1-I48 HydrophobicContact SD-CD1 3.87Å; M1-I48 HydrophobicContact SD-CG2 4.37Å; M1-I51 HydrophobicContact CE-CG2 4.15Å; M1-I51 HydrophobicContact SD-CB 4.47Å; M1-I51 HydrophobicContact SD-CG2 3.87Å; M1-K52 HydrophobicContact CE-CG 4.16Å; M1-K52 HydrophobicContact SD-CG 4.44Å; M1-F59 HydrophobicContact CE-CB 4.43Å; M1-F59 HydrophobicContact CE-CD2 3.74Å; M1-F59 HydrophobicContact CE-CE2 4.46Å; M1-F59 HydrophobicContact CE-CG 4.35Å; M1-F59 HydrophobicContact CG-CD2 4.07Å; M1-F59 HydrophobicContact CG-CE2 3.97Å; M1-F59 HydrophobicContact SD-CD2 3.99Å; M1-F59 HydrophobicContact SD-CE2 4.49Å; M1-L62 HydrophobicContact SD-CD2 4.23Å; M1-L78 HydrophobicContact CB-CD2 4.48Å; M1-L78 HydrophobicContact CG-CD2 3.94Å
2D76.5Confident81.5Confident103 Ų10366.6 Ų66.655%0.55132%0.324SS*.G310 helixtrans-54.7-39.6-168.8-60.7-65.4000116.6N4 L5 K52D2-N4 PolarHBondContact O-N 3.09Å; D2-N4 VanDerWaalsContact O-N 3.11Å; D2-L5 WeakPolarHBondContact O-CB 3.35Å; D2-L5 PolarHBondContact O-N 3.15Å; D2-L5 VanDerWaalsContact O-N 3.1Å; D2-K52 WeakPolarHBondContact OD1-CE 3.34Å; D2-K52 IonicContact OD1-NZ 3.52Å; D2-K52 PolarHBondContact OD1-NZ 2.81Å; D2-K52 IonicContact OD2-NZ 2.77Å
3R78.3Confident82.3Confident245 Ų24567.7 Ų67.793%0.92533%0.332SS*.G310 helixtrans-58.6-23.9175.3-70.3-176.8177.3173.6-0.3113.9M1M1-R3 PolarHBondContact O-N 2.62Å; M1-R3 VanDerWaalsContact O-N 3.15Å
4N82.5Confident83Confident34 Ų3464.7 Ų64.718%0.18232%0.318CS..G310 helixtrans-114.315-178.9-56-47.3000112M1 D2 V6 L7 I8 K77M1-N4 CarbonylContact O-C 3.48Å; M1-N4 WeakPolarHBondContact O-CA 3.48Å; M1-N4 PolarHBondContact O-N 2.94Å; D2-N4 PolarHBondContact O-N 3.09Å; D2-N4 VanDerWaalsContact O-N 3.11Å; N4-V6 PolarHBondContact O-N 3.27Å; N4-L7 HydrophobicContact CB-CB 4.4Å; N4-L7 WeakPolarHBondContact O-CB 3.45Å; N4-L7 PolarHBondContact O-N 2.98Å; N4-I8 HydrophobicContact CB-CD1 4.17Å; N4-I8 HydrophobicContact CB-CG1 4.41Å; N4-I8 WeakPolarHBondContact O-CD1 3.47Å; N4-I8 VanDerWaalsContact O-CG1 3.3Å; N4-I8 WeakPolarHBondContact O-CG1 3.31Å; N4-I8 PolarHBondContact O-N 3.19Å; N4-K77 PolarHBondContact ND2-O 3.03Å
5L81.4Confident83.2Confident56 Ų5667.7 Ų67.729%0.29334%0.342SS..Hα-helixtrans-56.1-40.1-173.9-164.876.4000112.3M1 D2 I8 A9 L45 I48M1-L5 PolarHBondContact O-N 3.38Å; D2-L5 WeakPolarHBondContact O-CB 3.35Å; D2-L5 PolarHBondContact O-N 3.15Å; D2-L5 VanDerWaalsContact O-N 3.1Å; L5-I8 PolarHBondContact O-N 3.36Å; L5-A9 VanDerWaalsContact O-CB 3.3Å; L5-A9 WeakPolarHBondContact O-CB 3.27Å; L5-A9 PolarHBondContact O-N 2.77Å; L5-L45 HydrophobicContact CD1-CD2 3.97Å; L5-L45 HydrophobicContact CD2-CD2 4.1Å; L5-L45 HydrophobicContact CG-CD2 3.81Å; L5-I48 HydrophobicContact CD1-CG2 3.81Å
6V75.2Confident83.2Confident88 Ų8871.2 Ų71.253%0.53336%0.356SS..Hα-helixtrans-62.9-49.1175.4-179.30000111.1N4 I8 A9 E10N4-V6 PolarHBondContact O-N 3.27Å; V6-I8 VanDerWaalsContact C-N 3.32Å; V6-I8 PolarHBondContact O-N 2.67Å; V6-A9 PolarHBondContact O-N 3.04Å; V6-E10 HydrophobicContact CG1-CG 4.38Å; V6-E10 WeakPolarHBondContact CG1-OE1 3.38Å; V6-E10 WeakPolarHBondContact O-CB 3.09Å; V6-E10 VanDerWaalsContact O-CG 3.28Å; V6-E10 WeakPolarHBondContact O-CG 3.08Å; V6-E10 PolarHBondContact O-N 2.72Å
7L83.5Confident83.7Confident54 Ų5467 Ų6728%0.28334%0.335SS..Hα-helixtrans-59.9-42.4178.6178.370.4000111.9N4 E10 S11 L74 K77N4-L7 HydrophobicContact CB-CB 4.4Å; N4-L7 WeakPolarHBondContact O-CB 3.45Å; N4-L7 PolarHBondContact O-N 2.98Å; L7-E10 PolarHBondContact O-N 2.74Å; L7-S11 WeakPolarHBondContact O-CB 2.98Å; L7-S11 PolarHBondContact O-N 3.48Å; L7-S11 PolarHBondContact O-OG 3.23Å; L7-L74 HydrophobicContact CD2-CD2 4.02Å; L7-L74 HydrophobicContact CG-CD2 3.86Å; L7-K77 HydrophobicContact CD2-CB 3.83Å; L7-K77 HydrophobicContact CD2-CD 4.34Å; L7-K77 HydrophobicContact CD2-CG 3.67Å
8I84.7Confident84.3Confident0 Ų063.6 Ų63.60%032%0.318CS..Hα-helixtrans-64.5-50.2178-66.6160.2000110.4N4 L5 V6 E10 S11 M12 I48 L74 L78N4-I8 HydrophobicContact CB-CD1 4.17Å; N4-I8 HydrophobicContact CB-CG1 4.41Å; N4-I8 WeakPolarHBondContact O-CD1 3.47Å; N4-I8 VanDerWaalsContact O-CG1 3.3Å; N4-I8 WeakPolarHBondContact O-CG1 3.31Å; N4-I8 PolarHBondContact O-N 3.19Å; L5-I8 PolarHBondContact O-N 3.36Å; V6-I8 VanDerWaalsContact C-N 3.32Å; V6-I8 PolarHBondContact O-N 2.67Å; I8-E10 PolarHBondContact O-N 3.08Å; I8-S11 PolarHBondContact O-N 3.39Å; I8-M12 HydrophobicContact CG2-CB 4.14Å; I8-M12 HydrophobicContact CG2-CE 3.5Å; I8-M12 HydrophobicContact CG2-SD 3.79Å; I8-M12 WeakPolarHBondContact O-CB 3.31Å; I8-M12 PolarHBondContact O-N 3.03Å; I8-I48 HydrophobicContact CD1-CD1 4.05Å; I8-I48 HydrophobicContact CD1-CG1 4.43Å; I8-I48 HydrophobicContact CG2-CD1 3.95Å; I8-I48 HydrophobicContact CG2-CG1 3.6Å; I8-L74 HydrophobicContact CG1-CD2 3.98Å; I8-L78 HydrophobicContact CD1-CD2 3.92Å
9A79.5Confident84.6Confident0 Ų063.3 Ų63.30%032%0.321CS..Hα-helixtrans-66.4-26.9-179.500000112.6L5 V6 Y41 R44 L45L5-A9 VanDerWaalsContact O-CB 3.3Å; L5-A9 WeakPolarHBondContact O-CB 3.27Å; L5-A9 PolarHBondContact O-N 2.77Å; V6-A9 PolarHBondContact O-N 3.04Å; A9-Y41 HydrophobicContact CB-CD2 3.81Å; A9-Y41 HydrophobicContact CB-CE1 4.4Å; A9-Y41 HydrophobicContact CB-CE2 3.33Å; A9-Y41 VanDerWaalsContact O-CD2 3.27Å; A9-Y41 WeakPolarHBondContact O-CD2 3.16Å; A9-R44 WeakPolarHBondContact O-CD 3.4Å; A9-R44 PolarHBondContact O-NH1 3.19Å; A9-L45 HydrophobicContact CB-CD2 3.82Å; A9-L45 HydrophobicContact CB-CG 4.07Å
10E83Confident85.1Confident129 Ų12962.1 Ų62.160%0.60331%0.313SS*.Hα-helixtrans-80.9-39.7174.9-73174.817200113.4V6 L7 I8 R44V6-E10 HydrophobicContact CG1-CG 4.38Å; V6-E10 WeakPolarHBondContact CG1-OE1 3.38Å; V6-E10 WeakPolarHBondContact O-CB 3.09Å; V6-E10 VanDerWaalsContact O-CG 3.28Å; V6-E10 WeakPolarHBondContact O-CG 3.08Å; V6-E10 PolarHBondContact O-N 2.72Å; L7-E10 PolarHBondContact O-N 2.74Å; I8-E10 PolarHBondContact O-N 3.08Å; E10-R44 PolarHBondContact O-NH1 2.77Å
11S82.3Confident85.5Confident36 Ų3659.1 Ų59.125%0.25230%0.298SS..Hα-helixtrans-125.2-0.2-164.270.70000118L7 I8 H73L7-S11 WeakPolarHBondContact O-CB 2.98Å; L7-S11 PolarHBondContact O-N 3.48Å; L7-S11 PolarHBondContact O-OG 3.23Å; I8-S11 PolarHBondContact O-N 3.39Å; S11-H73 WeakPolarHBondContact CB-NE2 3.12Å; S11-H73 PolarHBondContact O-NE2 2.92Å; S11-H73 PolarHBondContact OG-NE2 3.37Å
12M91.9Very high86.2Confident1 Ų159.4 Ų59.41%0.00530%0.299CS..  trans-76.8123.3179.4-179.9178-83.300112.2I8 L14 L17 R44 L47 I48 L62 L66 L74I8-M12 HydrophobicContact CG2-CB 4.14Å; I8-M12 HydrophobicContact CG2-CE 3.5Å; I8-M12 HydrophobicContact CG2-SD 3.79Å; I8-M12 WeakPolarHBondContact O-CB 3.31Å; I8-M12 PolarHBondContact O-N 3.03Å; M12-L14 HydrophobicContact CG-CD2 4.39Å; M12-L14 HydrophobicContact SD-CD2 4.41Å; M12-L17 HydrophobicContact CE-CD2 4.22Å; M12-L17 HydrophobicContact CG-CD2 3.77Å; M12-L17 HydrophobicContact SD-CD2 3.74Å; M12-R44 HydrophobicContact CB-CG 4.11Å; M12-R44 VanDerWaalsContact O-CZ 3.29Å; M12-R44 PolarHBondContact O-NE 3.05Å; M12-R44 PolarHBondContact O-NH2 3Å; M12-L47 HydrophobicContact SD-CD2 3.99Å; M12-I48 HydrophobicContact CE-CD1 4.33Å; M12-L62 HydrophobicContact CE-CD1 3.97Å; M12-L66 HydrophobicContact CE-CD1 4.2Å; M12-L66 HydrophobicContact CE-CD2 4.04Å; M12-L66 HydrophobicContact CG-CD2 4.43Å; M12-L74 HydrophobicContact CB-CD1 3.83Å; M12-L74 HydrophobicContact CG-CD1 4.42Å
13D91.1Very high86.9Confident81 Ų8162.2 Ų62.243%0.43331%0.308SS..  trans-81.6135.7168.5-160.1-20.2000110.1V15 L17 Q71D13-V15 WeakPolarHBondContact OD1-CB 3.3Å; D13-V15 WeakPolarHBondContact OD1-CG2 3.47Å; D13-V15 PolarHBondContact OD1-N 3.18Å; D13-L17 VanDerWaalsContact O-CB 3.31Å; D13-L17 WeakPolarHBondContact O-CB 3.38Å; D13-Q71 HydrophobicContact CB-CG 4.48Å; D13-Q71 PolarHBondContact O-NE2 2.95Å
14L92.4Very high87.5Confident26 Ų2654 Ų5414%0.13628%0.28CS..  trans-103.6-14.7-179.3-62.9178.8000112.3M12 L18 V35 R44 L47M12-L14 HydrophobicContact CG-CD2 4.39Å; M12-L14 HydrophobicContact SD-CD2 4.41Å; L14-L18 HydrophobicContact CB-CD1 3.95Å; L14-L18 HydrophobicContact CB-CG 4.13Å; L14-L18 HydrophobicContact CD2-CG 4.49Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 2.91Å; L14-V35 HydrophobicContact CD1-CG1 3.83Å; L14-R44 HydrophobicContact CD1-CG 4.09Å; L14-R44 HydrophobicContact CD2-CG 4.22Å; L14-R44 HydrophobicContact CG-CG 4.15Å; L14-L47 HydrophobicContact CD2-CB 4.44Å; L14-L47 HydrophobicContact CD2-CD2 3.49Å; L14-L47 VanDerWaalsContact CD2-CD2 3.49Å
15V85.9Confident87.8Confident110 Ų11054.4 Ų54.467%0.66729%0.293SS*.THydrogen-bonded Turntrans-62.2-52.8-169.9174.20000111.7D13 P19D13-V15 WeakPolarHBondContact OD1-CB 3.3Å; D13-V15 WeakPolarHBondContact OD1-CG2 3.47Å; D13-V15 PolarHBondContact OD1-N 3.18Å; V15-P19 WeakPolarHBondContact O-CD 3.29Å; V15-P19 WeakPolarHBondContact O-CG 3.38Å
16E83.2Confident88.4Confident123 Ų12352.4 Ų52.458%0.57528%0.283SS*.THydrogen-bonded Turntrans-90.6-22.3175.9-61.8-162.416200113.1P19 Y20E16-P19 WeakPolarHBondContact O-CD 2.95Å; E16-Y20 WeakPolarHBondContact O-CB 3.41Å; E16-Y20 PolarHBondContact O-N 3.17Å
17L92.6Very high89.3Confident0 Ų048.4 Ų48.40%026%0.258CS..Hα-helixtrans-73.5-38.3-176-170.363.8000112.8M12 D13 L21 L47 L62 G65 L66M12-L17 HydrophobicContact CE-CD2 4.22Å; M12-L17 HydrophobicContact CG-CD2 3.77Å; M12-L17 HydrophobicContact SD-CD2 3.74Å; D13-L17 VanDerWaalsContact O-CB 3.31Å; D13-L17 WeakPolarHBondContact O-CB 3.38Å; L17-L21 HydrophobicContact CD1-CD1 4.2Å; L17-L21 HydrophobicContact CD1-CG 4.42Å; L17-L21 HydrophobicContact CG-CD1 3.95Å; L17-L21 WeakPolarHBondContact O-CB 3.48Å; L17-L21 VanDerWaalsContact O-CG 3.25Å; L17-L21 WeakPolarHBondContact O-CG 3.46Å; L17-L21 PolarHBondContact O-N 3.41Å; L17-L47 HydrophobicContact CD2-CD2 3.81Å; L17-L47 HydrophobicContact CG-CD2 4.35Å; L17-L62 HydrophobicContact CD1-CD1 4.32Å; L17-L62 HydrophobicContact CD2-CD1 3.96Å; L17-G65 VanDerWaalsContact CD1-C 3.49Å; L17-L66 HydrophobicContact CD1-CD2 4.46Å; L17-L66 HydrophobicContact CD1-CG 4.35Å; L17-L66 HydrophobicContact CD2-CD2 4.05Å
18L93.5Very high89.7Confident6 Ų653.7 Ų53.73%0.03127%0.274CS..Hα-helixtrans-68.4-47.3178.6-67.2173.8000113.1L14 Y20 L21 Q22 L27 V35 R36 L47L14-L18 HydrophobicContact CB-CD1 3.95Å; L14-L18 HydrophobicContact CB-CG 4.13Å; L14-L18 HydrophobicContact CD2-CG 4.49Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 2.91Å; L18-Y20 VanDerWaalsContact C-N 3.34Å; L18-Y20 PolarHBondContact O-N 3.32Å; L18-L21 PolarHBondContact O-N 2.79Å; L18-Q22 WeakPolarHBondContact O-CB 3.18Å; L18-Q22 PolarHBondContact O-N 2.87Å; L18-L27 HydrophobicContact CD2-CD1 3.51Å; L18-V35 HydrophobicContact CD1-CB 4.37Å; L18-V35 HydrophobicContact CD1-CG1 3.76Å; L18-V35 HydrophobicContact CD2-CB 4.28Å; L18-V35 HydrophobicContact CD2-CG1 3.96Å; L18-V35 HydrophobicContact CD2-CG2 4.44Å; L18-V35 HydrophobicContact CG-CG1 4.45Å; L18-R36 HydrophobicContact CD1-CG 4.43Å; L18-L47 HydrophobicContact CD2-CD1 4.06Å; L18-L47 HydrophobicContact CD2-CD2 4.18Å
19P90.9Very high89.8Confident58 Ų5858.7 Ų58.738%0.37730%0.298SS..Hα-helixtrans-59-42.7174.8-24.935.1000112.7V15 E16 Q22 Q23V15-P19 WeakPolarHBondContact O-CD 3.29Å; V15-P19 WeakPolarHBondContact O-CG 3.38Å; E16-P19 WeakPolarHBondContact O-CD 2.95Å; P19-Q22 WeakPolarHBondContact O-CB 3.26Å; P19-Q22 PolarHBondContact O-N 3.36Å; P19-Q23 WeakPolarHBondContact O-CB 3.39Å; P19-Q23 PolarHBondContact O-N 3.19Å
20Y93.4Very high90.2Very high38 Ų3863.8 Ų63.815%0.14932%0.321CS..Hα-helixtrans-60-51.1176.8176-98.8000112E16 L18 Q22 Q23 E24 F61 N64 G65 L68E16-Y20 WeakPolarHBondContact O-CB 3.41Å; E16-Y20 PolarHBondContact O-N 3.17Å; L18-Y20 VanDerWaalsContact C-N 3.34Å; L18-Y20 PolarHBondContact O-N 3.32Å; Y20-Q22 PolarHBondContact O-N 3.03Å; Y20-Q23 PolarHBondContact O-N 3.26Å; Y20-E24 HydrophobicContact CD2-CG 4.39Å; Y20-E24 HydrophobicContact CE1-CG 4.13Å; Y20-E24 HydrophobicContact CE2-CG 3.88Å; Y20-E24 WeakPolarHBondContact O-CG 3.44Å; Y20-E24 PolarHBondContact O-N 3.39Å; Y20-F61 HydrophobicContact CE1-CD1 4.23Å; Y20-F61 WeakPolarHBondContact CE1-O 3.28Å; Y20-N64 HydrophobicContact CE1-CB 4.33Å; Y20-N64 WeakPolarHBondContact OH-CB 3.37Å; Y20-G65 VanDerWaalsContact CE1-CA 3.43Å; Y20-L68 HydrophobicContact CD2-CD1 3.88Å; Y20-L68 HydrophobicContact CE2-CD1 3.33Å
21L94.4Very high90.8Very high0 Ų059.3 Ų59.30%030%0.3CS..Hα-helixtrans-66.8-25179.1-67.1172000112.7L17 L18 I26 L27 L47 I51 F61 L62L17-L21 HydrophobicContact CD1-CD1 4.2Å; L17-L21 HydrophobicContact CD1-CG 4.42Å; L17-L21 HydrophobicContact CG-CD1 3.95Å; L17-L21 WeakPolarHBondContact O-CB 3.48Å; L17-L21 VanDerWaalsContact O-CG 3.25Å; L17-L21 WeakPolarHBondContact O-CG 3.46Å; L17-L21 PolarHBondContact O-N 3.41Å; L18-L21 PolarHBondContact O-N 2.79Å; L21-I26 HydrophobicContact CB-CB 4.32Å; L21-I26 HydrophobicContact CD2-CB 4.17Å; L21-I26 HydrophobicContact CD2-CG2 4.07Å; L21-I26 CarbonylContact O-C 3.57Å; L21-I26 VanDerWaalsContact O-CA 3.31Å; L21-I26 WeakPolarHBondContact O-CA 3.17Å; L21-I26 WeakPolarHBondContact O-CB 3.49Å; L21-I26 PolarHBondContact O-N 3.17Å; L21-L27 HydrophobicContact CB-CD1 3.66Å; L21-L27 HydrophobicContact CB-CG 3.78Å; L21-L27 HydrophobicContact CD1-CD1 4.37Å; L21-L27 PolarHBondContact O-N 2.74Å; L21-L47 HydrophobicContact CD1-CD1 3.94Å; L21-L47 HydrophobicContact CD1-CD2 4.24Å; L21-I51 HydrophobicContact CD1-CD1 4.24Å; L21-F61 HydrophobicContact CD2-CB 4Å; L21-L62 HydrophobicContact CD1-CD1 4.35Å
22Q93.4Very high91.2Very high60 Ų6057.6 Ų57.628%0.2829%0.288SS..Hα-helixtrans-72.8-45171.4-175.7171.913.700111.9L18 P19 Y20 E24 G25 L27 E29 V32L18-Q22 WeakPolarHBondContact O-CB 3.18Å; L18-Q22 PolarHBondContact O-N 2.87Å; P19-Q22 WeakPolarHBondContact O-CB 3.26Å; P19-Q22 PolarHBondContact O-N 3.36Å; Y20-Q22 PolarHBondContact O-N 3.03Å; Q22-E24 VanDerWaalsContact C-N 3.33Å; Q22-E24 PolarHBondContact O-N 3.38Å; Q22-G25 PolarHBondContact O-N 3.22Å; Q22-G25 VanDerWaalsContact O-N 3.07Å; Q22-L27 HydrophobicContact CB-CB 4.36Å; Q22-E29 PolarHBondContact NE2-OE2 3.04Å; Q22-V32 HydrophobicContact CB-CG2 4.23Å; Q22-V32 HydrophobicContact CG-CG2 4.36Å
23Q91Very high91Very high161 Ų16161.7 Ų61.775%0.75231%0.307SS*.Hα-helixtrans-60.3-40.8177.2-178.7175.5-8.100112.1P19 Y20 G25P19-Q23 WeakPolarHBondContact O-CB 3.39Å; P19-Q23 PolarHBondContact O-N 3.19Å; Y20-Q23 PolarHBondContact O-N 3.26Å; Q23-G25 PolarHBondContact O-N 3.2Å
24E91.8Very high90.7Very high72 Ų7259.5 Ų59.534%0.33630%0.301SS..THydrogen-bonded Turntrans-79.38176.8-62.2-61.2154.700113.8Y20 Q22 I26 F61Y20-E24 HydrophobicContact CD2-CG 4.39Å; Y20-E24 HydrophobicContact CE1-CG 4.13Å; Y20-E24 HydrophobicContact CE2-CG 3.88Å; Y20-E24 WeakPolarHBondContact O-CG 3.44Å; Y20-E24 PolarHBondContact O-N 3.39Å; Q22-E24 VanDerWaalsContact C-N 3.33Å; Q22-E24 PolarHBondContact O-N 3.38Å; E24-I26 HydrophobicContact CB-CG1 4.3Å; E24-I26 PolarHBondContact O-N 2.92Å; E24-F61 HydrophobicContact CB-CD1 3.66Å; E24-F61 HydrophobicContact CB-CE1 3.76Å; E24-F61 HydrophobicContact CB-CG 4.25Å; E24-F61 HydrophobicContact CB-CZ 4.45Å; E24-F61 HydrophobicContact CG-CD1 3.61Å; E24-F61 HydrophobicContact CG-CE1 3.62Å; E24-F61 WeakPolarHBondContact OE2-CE1 3.37Å
25G89.9Confident90.7Very high44 Ų4458.4 Ų58.445%0.45430%0.295SS..THydrogen-bonded Turntrans71.65.6177.900000115.3Q22 Q23 L27 R54Q22-G25 PolarHBondContact O-N 3.22Å; Q22-G25 VanDerWaalsContact O-N 3.07Å; Q23-G25 PolarHBondContact O-N 3.2Å; G25-L27 VanDerWaalsContact C-N 3.33Å; G25-R54 PolarHBondContact O-NH1 2.64Å
26I93.1Very high90.8Very high13 Ų1361 Ų617%0.06729%0.293CS..SBendtrans-76.9-19.1179.1-56.5-56.8000112.3L21 E24 I51 R54 A58 F61L21-I26 HydrophobicContact CB-CB 4.32Å; L21-I26 HydrophobicContact CD2-CB 4.17Å; L21-I26 HydrophobicContact CD2-CG2 4.07Å; L21-I26 CarbonylContact O-C 3.57Å; L21-I26 VanDerWaalsContact O-CA 3.31Å; L21-I26 WeakPolarHBondContact O-CA 3.17Å; L21-I26 WeakPolarHBondContact O-CB 3.49Å; L21-I26 PolarHBondContact O-N 3.17Å; E24-I26 HydrophobicContact CB-CG1 4.3Å; E24-I26 PolarHBondContact O-N 2.92Å; I26-I51 HydrophobicContact CG2-CD1 3.63Å; I26-R54 VanDerWaalsContact C-CZ 3.48Å; I26-R54 VanDerWaalsContact C-NH1 3.29Å; I26-R54 VanDerWaalsContact O-CD 3.3Å; I26-R54 WeakPolarHBondContact O-CD 3.47Å; I26-R54 PolarHBondContact O-NE 3.12Å; I26-R54 VanDerWaalsContact O-NE 3.08Å; I26-R54 PolarHBondContact O-NH1 3.49Å; I26-R54 PolarHBondContact O-NH2 3.09Å; I26-A58 HydrophobicContact CD1-CB 4.31Å; I26-A58 HydrophobicContact CG2-CB 3.62Å; I26-F61 HydrophobicContact CD1-CB 4.43Å; I26-F61 HydrophobicContact CD1-CD2 3.8Å; I26-F61 HydrophobicContact CD1-CG 4.32Å; I26-F61 HydrophobicContact CG1-CB 3.75Å; I26-F61 HydrophobicContact CG1-CD2 3.89Å; I26-F61 HydrophobicContact CG1-CG 3.88Å
27L93.1Very high90.9Very high4 Ų462.6 Ų62.62%0.02130%0.298CS..SBendtrans-121.5151.9166.9-58175.5000109.9L18 L21 Q22 G25 H31 V32 L47 I50L18-L27 HydrophobicContact CD2-CD1 3.51Å; L21-L27 HydrophobicContact CB-CD1 3.66Å; L21-L27 HydrophobicContact CB-CG 3.78Å; L21-L27 HydrophobicContact CD1-CD1 4.37Å; L21-L27 PolarHBondContact O-N 2.74Å; Q22-L27 HydrophobicContact CB-CB 4.36Å; G25-L27 VanDerWaalsContact C-N 3.33Å; L27-H31 HydrophobicContact CB-CB 4.16Å; L27-H31 HydrophobicContact CD2-CB 3.9Å; L27-V32 HydrophobicContact CB-CG2 3.92Å; L27-V32 HydrophobicContact CD1-CG2 4.06Å; L27-L47 HydrophobicContact CD1-CD1 4.11Å; L27-L47 HydrophobicContact CD2-CD1 4.01Å; L27-I50 HydrophobicContact CD2-CG2 3.61Å
28R91.7Very high90.6Very high166 Ų16666 Ų6663%0.62632%0.316SS*.  trans-111.1165.9164.6-65.1175.6176.1-177-1.6107.5H30 H31 V32R28-H30 VanDerWaalsContact C-N 3.32Å; R28-H30 PolarHBondContact O-N 2.79Å; R28-H31 PolarHBondContact N-ND1 3.44Å; R28-H31 WeakPolarHBondContact O-CA 3.1Å; R28-H31 VanDerWaalsContact O-CB 3.28Å; R28-H31 WeakPolarHBondContact O-CB 3.26Å; R28-H31 PolarHBondContact O-N 3.36Å; R28-V32 PolarHBondContact O-N 3.2Å
29E88Confident90.1Very high104 Ų10468.5 Ų68.549%0.48633%0.331SS..Hα-helixtrans-47.6-50.8-177.9-161.159.7-134.200113.1Q22 H31 V32 E33Q22-E29 PolarHBondContact NE2-OE2 3.04Å; E29-H31 PolarHBondContact O-N 3.5Å; E29-H31 VanDerWaalsContact O-N 3.12Å; E29-V32 CarbonylContact O-C 3.59Å; E29-V32 WeakPolarHBondContact O-CA 3.47Å; E29-V32 WeakPolarHBondContact O-CB 3.33Å; E29-V32 PolarHBondContact O-N 2.69Å; E29-E33 PolarHBondContact O-N 2.74Å
30H88.6Confident89.7Confident107 Ų10770 Ų7050%0.49534%0.341SS..Hα-helixtrans-61.4-23.1177.461.6-104.4000115R28 A34R28-H30 VanDerWaalsContact C-N 3.32Å; R28-H30 PolarHBondContact O-N 2.79Å; H30-A34 WeakPolarHBondContact O-CB 3.34Å; H30-A34 PolarHBondContact O-N 2.81Å
31H94.5Very high89.4Confident35 Ų3573.5 Ų73.516%0.16236%0.355CS..Hα-helixtrans-76.1-38.4172.2-64.477.9000111L27 R28 E29 A34 V35 I50 R54L27-H31 HydrophobicContact CB-CB 4.16Å; L27-H31 HydrophobicContact CD2-CB 3.9Å; R28-H31 PolarHBondContact N-ND1 3.44Å; R28-H31 WeakPolarHBondContact O-CA 3.1Å; R28-H31 VanDerWaalsContact O-CB 3.28Å; R28-H31 WeakPolarHBondContact O-CB 3.26Å; R28-H31 PolarHBondContact O-N 3.36Å; E29-H31 PolarHBondContact O-N 3.5Å; E29-H31 VanDerWaalsContact O-N 3.12Å; H31-A34 PolarHBondContact O-N 2.96Å; H31-V35 WeakPolarHBondContact O-CG2 3.45Å; H31-V35 PolarHBondContact O-N 3.3Å; H31-I50 HydrophobicContact CB-CD1 4.13Å; H31-I50 VanDerWaalsContact CD2-CG2 3.46Å; H31-I50 WeakPolarHBondContact CD2-CG2 3.28Å; H31-R54 PolarHBondContact CE1-NH2 3.2Å; H31-R54 PolarHBondContact ND1-NH2 3.28Å; H31-R54 PolarHBondContact NE2-NH2 2.78Å
32V91.2Very high88.9Confident0 Ų077 Ų770%037%0.371CS..Hα-helixtrans-68.4-41.4176.2-179.70000109.7Q22 L27 R28 E29 V35 R36Q22-V32 HydrophobicContact CB-CG2 4.23Å; Q22-V32 HydrophobicContact CG-CG2 4.36Å; L27-V32 HydrophobicContact CB-CG2 3.92Å; L27-V32 HydrophobicContact CD1-CG2 4.06Å; R28-V32 PolarHBondContact O-N 3.2Å; E29-V32 CarbonylContact O-C 3.59Å; E29-V32 WeakPolarHBondContact O-CA 3.47Å; E29-V32 WeakPolarHBondContact O-CB 3.33Å; E29-V32 PolarHBondContact O-N 2.69Å; V32-V35 PolarHBondContact O-N 2.87Å; V32-R36 HydrophobicContact CG1-CG 4.44Å; V32-R36 VanDerWaalsContact O-CB 3.3Å; V32-R36 WeakPolarHBondContact O-CB 3.5Å; V32-R36 VanDerWaalsContact O-CG 3.26Å; V32-R36 WeakPolarHBondContact O-CG 3.4Å; V32-R36 PolarHBondContact O-N 3.26Å
33E86.8Confident88.7Confident87 Ų8774.1 Ų74.141%0.40736%0.358SS..Hα-helixtrans-60.5-47.6169.1-71-167.7173.600112.6E29 V35 R36 K37E29-E33 PolarHBondContact O-N 2.74Å; E33-V35 VanDerWaalsContact C-N 3.26Å; E33-V35 PolarHBondContact O-N 3.24Å; E33-R36 CarbonylContact O-C 3.52Å; E33-R36 PolarHBondContact O-N 3.11Å; E33-R36 VanDerWaalsContact O-N 3.09Å; E33-K37 HydrophobicContact CB-CD 4.39Å; E33-K37 WeakPolarHBondContact O-CB 3.42Å; E33-K37 VanDerWaalsContact O-CG 3.26Å; E33-K37 WeakPolarHBondContact O-CG 3.47Å; E33-K37 PolarHBondContact O-N 3.46Å; E33-K37 IonicContact OE2-NZ 2.74Å; E33-K37 PolarHBondContact OE2-NZ 2.95Å
34A85.9Confident88.8Confident35 Ų3569 Ų6929%0.28933%0.332SS..Hα-helixtrans-58.6-39.2179.200000111.9H30 H31 L38H30-A34 WeakPolarHBondContact O-CB 3.34Å; H30-A34 PolarHBondContact O-N 2.81Å; H31-A34 PolarHBondContact O-N 2.96Å; A34-L38 WeakPolarHBondContact O-CD1 3.33Å; A34-L38 VanDerWaalsContact O-CG 3.32Å; A34-L38 WeakPolarHBondContact O-CG 3.48Å
35V91.6Very high88.8Confident4 Ų468.2 Ų68.22%0.02433%0.329CS..Hα-helixtrans-72-36.6174.4173.30000112.3L14 L18 H31 V32 E33 G43 E46 L47 I50L14-V35 HydrophobicContact CD1-CG1 3.83Å; L18-V35 HydrophobicContact CD1-CB 4.37Å; L18-V35 HydrophobicContact CD1-CG1 3.76Å; L18-V35 HydrophobicContact CD2-CB 4.28Å; L18-V35 HydrophobicContact CD2-CG1 3.96Å; L18-V35 HydrophobicContact CD2-CG2 4.44Å; L18-V35 HydrophobicContact CG-CG1 4.45Å; H31-V35 WeakPolarHBondContact O-CG2 3.45Å; H31-V35 PolarHBondContact O-N 3.3Å; V32-V35 PolarHBondContact O-N 2.87Å; E33-V35 VanDerWaalsContact C-N 3.26Å; E33-V35 PolarHBondContact O-N 3.24Å; V35-G43 WeakPolarHBondContact CG1-O 3.36Å; V35-E46 HydrophobicContact CG2-CG 4.35Å; V35-L47 HydrophobicContact CG2-CB 4.18Å; V35-I50 HydrophobicContact CG2-CD1 3.74Å
36R89Confident88.9Confident163 Ų16368.4 Ų68.462%0.61532%0.319SS*.Hα-helixtrans-77.9-23.4-179.4-75.8178.1175.8169.5-0.9114.6L18 V32 E33 L38L18-R36 HydrophobicContact CD1-CG 4.43Å; V32-R36 HydrophobicContact CG1-CG 4.44Å; V32-R36 VanDerWaalsContact O-CB 3.3Å; V32-R36 WeakPolarHBondContact O-CB 3.5Å; V32-R36 VanDerWaalsContact O-CG 3.26Å; V32-R36 WeakPolarHBondContact O-CG 3.4Å; V32-R36 PolarHBondContact O-N 3.26Å; E33-R36 CarbonylContact O-C 3.52Å; E33-R36 PolarHBondContact O-N 3.11Å; E33-R36 VanDerWaalsContact O-N 3.09Å; R36-L38 VanDerWaalsContact C-N 3.26Å
37K83.6Confident89Confident157 Ų15767.8 Ų67.868%0.68332%0.315SS*.THydrogen-bonded Turntrans-76.1-13.3175.8-76.1167175.6166.40112.9E33E33-K37 HydrophobicContact CB-CD 4.39Å; E33-K37 WeakPolarHBondContact O-CB 3.42Å; E33-K37 VanDerWaalsContact O-CG 3.26Å; E33-K37 WeakPolarHBondContact O-CG 3.47Å; E33-K37 PolarHBondContact O-N 3.46Å; E33-K37 IonicContact OE2-NZ 2.74Å; E33-K37 PolarHBondContact OE2-NZ 2.95Å
38L87.5Confident88.9Confident72 Ų7267.7 Ų67.738%0.37732%0.315SS..SBendtrans-98.2161.3-178.9-68.2172.3000111.8A34 R36 E42 E46A34-L38 WeakPolarHBondContact O-CD1 3.33Å; A34-L38 VanDerWaalsContact O-CG 3.32Å; A34-L38 WeakPolarHBondContact O-CG 3.48Å; R36-L38 VanDerWaalsContact C-N 3.26Å; L38-E42 HydrophobicContact CB-CB 3.81Å; L38-E42 HydrophobicContact CD1-CB 4.34Å; L38-E42 HydrophobicContact CD2-CB 4.29Å; L38-E42 HydrophobicContact CG-CB 4.37Å; L38-E46 HydrophobicContact CD1-CB 3.5Å; L38-E46 VanDerWaalsContact CD1-CB 3.5Å; L38-E46 HydrophobicContact CD1-CG 3.84Å
39T83.2Confident88.8Confident58 Ų5861.7 Ų61.736%0.35630%0.298SS..  trans-62.8158.4171.866.20000110.9Y41 E42 G43T39-Y41 PolarHBondContact O-N 3.23Å; T39-E42 VanDerWaalsContact CB-OE2 3.27Å; T39-E42 WeakPolarHBondContact CB-OE2 2.78Å; T39-E42 VanDerWaalsContact CG2-OE2 3.25Å; T39-E42 WeakPolarHBondContact CG2-OE2 3.49Å; T39-E42 PolarHBondContact N-OE2 3.15Å; T39-E42 VanDerWaalsContact N-OE2 3.07Å; T39-E42 PolarHBondContact O-N 2.99Å; T39-E42 WeakPolarHBondContact OG1-CG 3.46Å; T39-E42 PolarHBondContact OG1-OE2 3.01Å; T39-G43 PolarHBondContact O-N 3.18Å
40P81.7Confident89Confident91 Ų9156.9 Ų56.959%0.59128%0.276SS*.Hα-helixtrans-55-30.2-177.4-29.236.1000114.9R44P40-R44 WeakPolarHBondContact O-CD 3.44Å; P40-R44 WeakPolarHBondContact O-CG 3.44Å; P40-R44 PolarHBondContact O-N 2.83Å; P40-R44 PolarHBondContact O-NE 3.02Å
41Y87Confident89.2Confident111 Ų11151.8 Ų51.844%0.43525%0.252SS..Hα-helixtrans-74.2-47.6175.9-174.7-94.5000111.9A9 T39 R44 L45A9-Y41 HydrophobicContact CB-CD2 3.81Å; A9-Y41 HydrophobicContact CB-CE1 4.4Å; A9-Y41 HydrophobicContact CB-CE2 3.33Å; A9-Y41 VanDerWaalsContact O-CD2 3.27Å; A9-Y41 WeakPolarHBondContact O-CD2 3.16Å; T39-Y41 PolarHBondContact O-N 3.23Å; Y41-R44 PolarHBondContact O-N 3.21Å; Y41-L45 HydrophobicContact CD1-CD1 3.9Å; Y41-L45 HydrophobicContact CE1-CD1 3.49Å; Y41-L45 VanDerWaalsContact CE1-CD1 3.49Å; Y41-L45 HydrophobicContact CE1-CG 4.33Å; Y41-L45 PolarHBondContact O-N 2.83Å; Y41-L45 VanDerWaalsContact O-N 3.17Å
42E85.3Confident88.9Confident73 Ų7354.5 Ų54.534%0.34126%0.264SS..Hα-helixtrans-66.4-38.8177.8-69.6161.5154.100111.8L38 T39 R44 L45 E46L38-E42 HydrophobicContact CB-CB 3.81Å; L38-E42 HydrophobicContact CD1-CB 4.34Å; L38-E42 HydrophobicContact CD2-CB 4.29Å; L38-E42 HydrophobicContact CG-CB 4.37Å; T39-E42 VanDerWaalsContact CB-OE2 3.27Å; T39-E42 WeakPolarHBondContact CB-OE2 2.78Å; T39-E42 VanDerWaalsContact CG2-OE2 3.25Å; T39-E42 WeakPolarHBondContact CG2-OE2 3.49Å; T39-E42 PolarHBondContact N-OE2 3.15Å; T39-E42 VanDerWaalsContact N-OE2 3.07Å; T39-E42 PolarHBondContact O-N 2.99Å; T39-E42 WeakPolarHBondContact OG1-CG 3.46Å; T39-E42 PolarHBondContact OG1-OE2 3.01Å; E42-R44 VanDerWaalsContact C-N 3.32Å; E42-R44 PolarHBondContact O-N 3.46Å; E42-L45 CarbonylContact O-C 3.53Å; E42-L45 WeakPolarHBondContact O-CB 3.49Å; E42-L45 PolarHBondContact O-N 3.44Å; E42-L45 VanDerWaalsContact O-N 3.12Å; E42-E46 WeakPolarHBondContact O-CB 3.37Å; E42-E46 PolarHBondContact O-N 3.45Å
43G89.2Confident88.8Confident0 Ų062.2 Ų62.20%029%0.293CS..Hα-helixtrans-61.5-36.517500000112.9V35 T39 L47V35-G43 WeakPolarHBondContact CG1-O 3.36Å; T39-G43 PolarHBondContact O-N 3.18Å; G43-L47 VanDerWaalsContact O-CB 3.32Å; G43-L47 WeakPolarHBondContact O-CB 3.45Å; G43-L47 PolarHBondContact O-N 2.63Å
44R93.2Very high88.7Confident54 Ų5461.8 Ų61.820%0.20429%0.288CS..Hα-helixtrans-67.4-40.3171.9-66.8159.1-177.2171.2-5.2111.8A9 E10 M12 L14 P40 Y41 E42 I48A9-R44 WeakPolarHBondContact O-CD 3.4Å; A9-R44 PolarHBondContact O-NH1 3.19Å; E10-R44 PolarHBondContact O-NH1 2.77Å; M12-R44 HydrophobicContact CB-CG 4.11Å; M12-R44 VanDerWaalsContact O-CZ 3.29Å; M12-R44 PolarHBondContact O-NE 3.05Å; M12-R44 PolarHBondContact O-NH2 3Å; L14-R44 HydrophobicContact CD1-CG 4.09Å; L14-R44 HydrophobicContact CD2-CG 4.22Å; L14-R44 HydrophobicContact CG-CG 4.15Å; P40-R44 WeakPolarHBondContact O-CD 3.44Å; P40-R44 WeakPolarHBondContact O-CG 3.44Å; P40-R44 PolarHBondContact O-N 2.83Å; P40-R44 PolarHBondContact O-NE 3.02Å; Y41-R44 PolarHBondContact O-N 3.21Å; E42-R44 VanDerWaalsContact C-N 3.32Å; E42-R44 PolarHBondContact O-N 3.46Å; R44-I48 WeakPolarHBondContact O-CG1 3.25Å; R44-I48 PolarHBondContact O-N 3.33Å; R44-I48 VanDerWaalsContact O-N 3.07Å
45L90.5Very high88.6Confident54 Ų5461.4 Ų61.428%0.28329%0.287SS..Hα-helixtrans-67.4-40.2176-70.5178.3000111.9L5 A9 Y41 E42 I48 S49L5-L45 HydrophobicContact CD1-CD2 3.97Å; L5-L45 HydrophobicContact CD2-CD2 4.1Å; L5-L45 HydrophobicContact CG-CD2 3.81Å; A9-L45 HydrophobicContact CB-CD2 3.82Å; A9-L45 HydrophobicContact CB-CG 4.07Å; Y41-L45 HydrophobicContact CD1-CD1 3.9Å; Y41-L45 HydrophobicContact CE1-CD1 3.49Å; Y41-L45 VanDerWaalsContact CE1-CD1 3.49Å; Y41-L45 HydrophobicContact CE1-CG 4.33Å; Y41-L45 PolarHBondContact O-N 2.83Å; Y41-L45 VanDerWaalsContact O-N 3.17Å; E42-L45 CarbonylContact O-C 3.53Å; E42-L45 WeakPolarHBondContact O-CB 3.49Å; E42-L45 PolarHBondContact O-N 3.44Å; E42-L45 VanDerWaalsContact O-N 3.12Å; L45-I48 PolarHBondContact O-N 3.26Å; L45-S49 WeakPolarHBondContact O-CB 3.4Å; L45-S49 PolarHBondContact O-N 2.84Å
46E93.2Very high88.1Confident49 Ų4966.5 Ų66.523%0.22932%0.32CS..Hα-helixtrans-72.1-36.7177.3-179.455-16900111.4V35 L38 E42 I48 S49 I50 R53V35-E46 HydrophobicContact CG2-CG 4.35Å; L38-E46 HydrophobicContact CD1-CB 3.5Å; L38-E46 VanDerWaalsContact CD1-CB 3.5Å; L38-E46 HydrophobicContact CD1-CG 3.84Å; E42-E46 WeakPolarHBondContact O-CB 3.37Å; E42-E46 PolarHBondContact O-N 3.45Å; E46-I48 VanDerWaalsContact C-N 3.32Å; E46-I48 PolarHBondContact O-N 2.82Å; E46-S49 CarbonylContact O-C 3.57Å; E46-S49 WeakPolarHBondContact O-CA 3.33Å; E46-S49 VanDerWaalsContact O-CB 3.29Å; E46-S49 WeakPolarHBondContact O-CB 3.18Å; E46-S49 PolarHBondContact O-N 3.47Å; E46-S49 VanDerWaalsContact O-N 3.11Å; E46-S49 WeakPolarHBondContact OE2-CB 3.46Å; E46-S49 PolarHBondContact OE2-OG 3.47Å; E46-I50 HydrophobicContact CG-CD1 4Å; E46-I50 HydrophobicContact CG-CG1 4.43Å; E46-I50 WeakPolarHBondContact O-CB 3.33Å; E46-I50 WeakPolarHBondContact O-CD1 3.44Å; E46-I50 WeakPolarHBondContact O-CG1 3.44Å; E46-I50 PolarHBondContact O-N 2.77Å; E46-R53 VanDerWaalsContact CD-NH2 3.29Å; E46-R53 IonicContact OE1-CZ 3.91Å; E46-R53 IonicContact OE1-NH1 3.51Å; E46-R53 IonicContact OE1-NH2 2.63Å; E46-R53 PolarHBondContact OE1-NH2 2.93Å; E46-R53 IonicContact OE2-NH2 3.76Å; E46-R53 PolarHBondContact OE2-NH2 3.1Å
47L93.7Very high87.9Confident0 Ų066.7 Ų66.70%032%0.321CS..Hα-helixtrans-57.6-45.9168.8-17959.3000110.8M12 L14 L17 L18 L21 L27 V35 G43 S49 I50 I51M12-L47 HydrophobicContact SD-CD2 3.99Å; L14-L47 HydrophobicContact CD2-CB 4.44Å; L14-L47 HydrophobicContact CD2-CD2 3.49Å; L14-L47 VanDerWaalsContact CD2-CD2 3.49Å; L17-L47 HydrophobicContact CD2-CD2 3.81Å; L17-L47 HydrophobicContact CG-CD2 4.35Å; L18-L47 HydrophobicContact CD2-CD1 4.06Å; L18-L47 HydrophobicContact CD2-CD2 4.18Å; L21-L47 HydrophobicContact CD1-CD1 3.94Å; L21-L47 HydrophobicContact CD1-CD2 4.24Å; L27-L47 HydrophobicContact CD1-CD1 4.11Å; L27-L47 HydrophobicContact CD2-CD1 4.01Å; V35-L47 HydrophobicContact CG2-CB 4.18Å; G43-L47 VanDerWaalsContact O-CB 3.32Å; G43-L47 WeakPolarHBondContact O-CB 3.45Å; G43-L47 PolarHBondContact O-N 2.63Å; L47-S49 VanDerWaalsContact C-N 3.33Å; L47-S49 PolarHBondContact O-N 2.83Å; L47-I50 PolarHBondContact O-N 3.44Å; L47-I51 HydrophobicContact CD1-CG1 4.21Å; L47-I51 HydrophobicContact CG-CG1 4.42Å; L47-I51 VanDerWaalsContact O-CG1 3.29Å; L47-I51 WeakPolarHBondContact O-CG1 3.19Å; L47-I51 PolarHBondContact O-N 2.73Å
48I92.1Very high88.3Confident1 Ų159.3 Ų59.31%0.00529%0.289CS..Hα-helixtrans-64-37.2174.7-70.6-63.6000112.4M1 L5 I8 M12 R44 L45 E46 I50 I51 K52 L62M1-I48 HydrophobicContact CG-CD1 4.17Å; M1-I48 HydrophobicContact SD-CD1 3.87Å; M1-I48 HydrophobicContact SD-CG2 4.37Å; L5-I48 HydrophobicContact CD1-CG2 3.81Å; I8-I48 HydrophobicContact CD1-CD1 4.05Å; I8-I48 HydrophobicContact CD1-CG1 4.43Å; I8-I48 HydrophobicContact CG2-CD1 3.95Å; I8-I48 HydrophobicContact CG2-CG1 3.6Å; M12-I48 HydrophobicContact CE-CD1 4.33Å; R44-I48 WeakPolarHBondContact O-CG1 3.25Å; R44-I48 PolarHBondContact O-N 3.33Å; R44-I48 VanDerWaalsContact O-N 3.07Å; L45-I48 PolarHBondContact O-N 3.26Å; E46-I48 VanDerWaalsContact C-N 3.32Å; E46-I48 PolarHBondContact O-N 2.82Å; I48-I50 VanDerWaalsContact C-N 3.34Å; I48-I51 PolarHBondContact O-N 3.2Å; I48-K52 HydrophobicContact CG2-CD 4.13Å; I48-K52 HydrophobicContact CG2-CG 4.42Å; I48-K52 WeakPolarHBondContact O-CB 3.36Å; I48-K52 WeakPolarHBondContact O-CG 3.08Å; I48-K52 PolarHBondContact O-N 3.25Å; I48-L62 HydrophobicContact CD1-CD2 3.91Å
49S90.1Very high88.6Confident40 Ų4058.7 Ų58.728%0.2828%0.283SS..Hα-helixtrans-61.4-40.71731780000111.9L45 E46 L47 R53L45-S49 WeakPolarHBondContact O-CB 3.4Å; L45-S49 PolarHBondContact O-N 2.84Å; E46-S49 CarbonylContact O-C 3.57Å; E46-S49 WeakPolarHBondContact O-CA 3.33Å; E46-S49 VanDerWaalsContact O-CB 3.29Å; E46-S49 WeakPolarHBondContact O-CB 3.18Å; E46-S49 PolarHBondContact O-N 3.47Å; E46-S49 VanDerWaalsContact O-N 3.11Å; E46-S49 WeakPolarHBondContact OE2-CB 3.46Å; E46-S49 PolarHBondContact OE2-OG 3.47Å; L47-S49 VanDerWaalsContact C-N 3.33Å; L47-S49 PolarHBondContact O-N 2.83Å; S49-R53 WeakPolarHBondContact O-CG 3.47Å; S49-R53 PolarHBondContact O-N 3.03Å; S49-R53 VanDerWaalsContact O-N 3.14Å; S49-R53 PolarHBondContact O-NE 2.91Å; S49-R53 PolarHBondContact OG-NE 3.36Å; S49-R53 PolarHBondContact OG-NH2 2.84Å
50I91.8Very high88.9Confident3 Ų361.7 Ų61.72%0.01529%0.293CS..Hα-helixtrans-67.9-49.4175.7-67.9161000110.7L27 H31 V35 E46 L47 I48 K52 R53 R54L27-I50 HydrophobicContact CD2-CG2 3.61Å; H31-I50 HydrophobicContact CB-CD1 4.13Å; H31-I50 VanDerWaalsContact CD2-CG2 3.46Å; H31-I50 WeakPolarHBondContact CD2-CG2 3.28Å; V35-I50 HydrophobicContact CG2-CD1 3.74Å; E46-I50 HydrophobicContact CG-CD1 4Å; E46-I50 HydrophobicContact CG-CG1 4.43Å; E46-I50 WeakPolarHBondContact O-CB 3.33Å; E46-I50 WeakPolarHBondContact O-CD1 3.44Å; E46-I50 WeakPolarHBondContact O-CG1 3.44Å; E46-I50 PolarHBondContact O-N 2.77Å; L47-I50 PolarHBondContact O-N 3.44Å; I48-I50 VanDerWaalsContact C-N 3.34Å; I50-K52 VanDerWaalsContact C-N 3.33Å; I50-K52 PolarHBondContact O-N 3.43Å; I50-R53 PolarHBondContact O-N 3.44Å; I50-R54 HydrophobicContact CG2-CG 4.42Å; I50-R54 WeakPolarHBondContact O-CG 3.48Å; I50-R54 PolarHBondContact O-N 3.47Å
51I93.1Very high89.5Confident1 Ų159 Ų591%0.00527%0.272CS..Hα-helixtrans-59.9-42.8178.8-64.8-63.1000111M1 L21 I26 L47 I48 R53 R54 G55 A58 F59 L62M1-I51 HydrophobicContact CE-CG2 4.15Å; M1-I51 HydrophobicContact SD-CB 4.47Å; M1-I51 HydrophobicContact SD-CG2 3.87Å; L21-I51 HydrophobicContact CD1-CD1 4.24Å; I26-I51 HydrophobicContact CG2-CD1 3.63Å; L47-I51 HydrophobicContact CD1-CG1 4.21Å; L47-I51 HydrophobicContact CG-CG1 4.42Å; L47-I51 VanDerWaalsContact O-CG1 3.29Å; L47-I51 WeakPolarHBondContact O-CG1 3.19Å; L47-I51 PolarHBondContact O-N 2.73Å; I48-I51 PolarHBondContact O-N 3.2Å; I51-R53 VanDerWaalsContact C-N 3.33Å; I51-R53 PolarHBondContact O-N 3.26Å; I51-R54 PolarHBondContact O-N 2.9Å; I51-G55 PolarHBondContact O-N 3.4Å; I51-A58 HydrophobicContact CD1-CB 4.02Å; I51-A58 HydrophobicContact CG2-CB 4.22Å; I51-F59 HydrophobicContact CG2-CB 4.45Å; I51-L62 HydrophobicContact CD1-CB 4.41Å; I51-L62 HydrophobicContact CG1-CD2 4.38Å; I51-L62 HydrophobicContact CG2-CB 4.38Å; I51-L62 HydrophobicContact CG2-CD2 4.09Å
52K88.4Confident89.8Confident92 Ų9253.7 Ų53.740%0.425%0.251SS..Hα-helixtrans-57.1-43172.4-78.3171.5173.6-177.20112.6M1 D2 I48 I50 R54M1-K52 HydrophobicContact CE-CG 4.16Å; M1-K52 HydrophobicContact SD-CG 4.44Å; D2-K52 WeakPolarHBondContact OD1-CE 3.34Å; D2-K52 IonicContact OD1-NZ 3.52Å; D2-K52 PolarHBondContact OD1-NZ 2.81Å; D2-K52 IonicContact OD2-NZ 2.77Å; I48-K52 HydrophobicContact CG2-CD 4.13Å; I48-K52 HydrophobicContact CG2-CG 4.42Å; I48-K52 WeakPolarHBondContact O-CB 3.36Å; I48-K52 WeakPolarHBondContact O-CG 3.08Å; I48-K52 PolarHBondContact O-N 3.25Å; I50-K52 VanDerWaalsContact C-N 3.33Å; I50-K52 PolarHBondContact O-N 3.43Å; K52-R54 VanDerWaalsContact C-N 3.32Å; K52-R54 PolarHBondContact O-N 2.85Å
53R87.7Confident90.2Very high162 Ų16250.7 Ų50.761%0.61124%0.239SC*.Hα-helixtrans-70.1-24.5178.2-77.5176.7-76.3173.9-0.6113.2E46 S49 I50 I51E46-R53 VanDerWaalsContact CD-NH2 3.29Å; E46-R53 IonicContact OE1-CZ 3.91Å; E46-R53 IonicContact OE1-NH1 3.51Å; E46-R53 IonicContact OE1-NH2 2.63Å; E46-R53 PolarHBondContact OE1-NH2 2.93Å; E46-R53 IonicContact OE2-NH2 3.76Å; E46-R53 PolarHBondContact OE2-NH2 3.1Å; S49-R53 WeakPolarHBondContact O-CG 3.47Å; S49-R53 PolarHBondContact O-N 3.03Å; S49-R53 VanDerWaalsContact O-N 3.14Å; S49-R53 PolarHBondContact O-NE 2.91Å; S49-R53 PolarHBondContact OG-NE 3.36Å; S49-R53 PolarHBondContact OG-NH2 2.84Å; I50-R53 PolarHBondContact O-N 3.44Å; I51-R53 VanDerWaalsContact C-N 3.33Å; I51-R53 PolarHBondContact O-N 3.26Å
54R85.5Confident90.3Very high78 Ų7854.5 Ų54.529%0.29426%0.259SS..Hα-helixtrans-92.7-6.2-179.4-67.6-135.7-174.8176.816.5115.7G25 I26 H31 I50 I51 K52 A58G25-R54 PolarHBondContact O-NH1 2.64Å; I26-R54 VanDerWaalsContact C-CZ 3.48Å; I26-R54 VanDerWaalsContact C-NH1 3.29Å; I26-R54 VanDerWaalsContact O-CD 3.3Å; I26-R54 WeakPolarHBondContact O-CD 3.47Å; I26-R54 PolarHBondContact O-NE 3.12Å; I26-R54 VanDerWaalsContact O-NE 3.08Å; I26-R54 PolarHBondContact O-NH1 3.49Å; I26-R54 PolarHBondContact O-NH2 3.09Å; H31-R54 PolarHBondContact CE1-NH2 3.2Å; H31-R54 PolarHBondContact ND1-NH2 3.28Å; H31-R54 PolarHBondContact NE2-NH2 2.78Å; I50-R54 HydrophobicContact CG2-CG 4.42Å; I50-R54 WeakPolarHBondContact O-CG 3.48Å; I50-R54 PolarHBondContact O-N 3.47Å; I51-R54 PolarHBondContact O-N 2.9Å; K52-R54 VanDerWaalsContact C-N 3.32Å; K52-R54 PolarHBondContact O-N 2.85Å; R54-A58 HydrophobicContact CB-CB 3.49Å; R54-A58 VanDerWaalsContact CB-CB 3.49Å
55G82.5Confident90.2Very high27 Ų2752 Ų5228%0.27825%0.25SC..  trans80.7-168.4169.100000115.8I51 R57 A58 F59I51-G55 PolarHBondContact O-N 3.4Å; G55-R57 PolarHBondContact O-N 2.66Å; G55-A58 WeakPolarHBondContact O-CB 3.1Å; G55-A58 PolarHBondContact O-N 3.44Å; G55-A58 VanDerWaalsContact O-N 3.09Å; G55-F59 PolarHBondContact O-N 3.09Å
56P81.8Confident90.3Very high111 Ų11149.4 Ų49.472%0.72124%0.236SC*.Hα-helixtrans-59.3-41.8-165.2-2735.4000114.9A58 F59 E60P56-A58 VanDerWaalsContact C-N 3.27Å; P56-A58 PolarHBondContact O-N 2.88Å; P56-F59 WeakPolarHBondContact O-CA 3.49Å; P56-F59 WeakPolarHBondContact O-CB 3.37Å; P56-F59 PolarHBondContact O-N 3.18Å; P56-E60 PolarHBondContact O-N 2.97Å
57R86Confident90.1Very high167 Ų16749.3 Ų49.363%0.6324%0.244SC*.Hα-helixtrans-58.1-40177.4-177.1173.6171.2171.10.4111.6G55 F59 E60 F61G55-R57 PolarHBondContact O-N 2.66Å; R57-F59 VanDerWaalsContact C-N 3.27Å; R57-F59 PolarHBondContact O-N 2.94Å; R57-E60 PolarHBondContact O-N 2.99Å; R57-F61 HydrophobicContact CG-CD2 3.91Å; R57-F61 HydrophobicContact CG-CE2 3.82Å; R57-F61 VanDerWaalsContact O-CD2 3.24Å; R57-F61 WeakPolarHBondContact O-CD2 3.2Å; R57-F61 PolarHBondContact O-N 2.99Å; R57-F61 VanDerWaalsContact O-N 3.1Å
58A91.9Very high89.8Confident1 Ų155 Ų551%0.00827%0.273CS..Hα-helixtrans-66.6-29.2176.100000112.8I26 I51 R54 G55 P56 L62I26-A58 HydrophobicContact CD1-CB 4.31Å; I26-A58 HydrophobicContact CG2-CB 3.62Å; I51-A58 HydrophobicContact CD1-CB 4.02Å; I51-A58 HydrophobicContact CG2-CB 4.22Å; R54-A58 HydrophobicContact CB-CB 3.49Å; R54-A58 VanDerWaalsContact CB-CB 3.49Å; G55-A58 WeakPolarHBondContact O-CB 3.1Å; G55-A58 PolarHBondContact O-N 3.44Å; G55-A58 VanDerWaalsContact O-N 3.09Å; P56-A58 VanDerWaalsContact C-N 3.27Å; P56-A58 PolarHBondContact O-N 2.88Å; A58-L62 WeakPolarHBondContact O-CB 3.47Å; A58-L62 PolarHBondContact O-N 2.87Å
59F93Very high89.4Confident60 Ų6056 Ų5626%0.26328%0.281SS..Hα-helixtrans-72.3-39.3173.8177.6-106.1000112.3M1 I51 G55 P56 R57 L62 C63 L78M1-F59 HydrophobicContact CE-CB 4.43Å; M1-F59 HydrophobicContact CE-CD2 3.74Å; M1-F59 HydrophobicContact CE-CE2 4.46Å; M1-F59 HydrophobicContact CE-CG 4.35Å; M1-F59 HydrophobicContact CG-CD2 4.07Å; M1-F59 HydrophobicContact CG-CE2 3.97Å; M1-F59 HydrophobicContact SD-CD2 3.99Å; M1-F59 HydrophobicContact SD-CE2 4.49Å; I51-F59 HydrophobicContact CG2-CB 4.45Å; G55-F59 PolarHBondContact O-N 3.09Å; P56-F59 WeakPolarHBondContact O-CA 3.49Å; P56-F59 WeakPolarHBondContact O-CB 3.37Å; P56-F59 PolarHBondContact O-N 3.18Å; R57-F59 VanDerWaalsContact C-N 3.27Å; R57-F59 PolarHBondContact O-N 2.94Å; F59-L62 HydrophobicContact CD2-CD2 4.44Å; F59-L62 WeakPolarHBondContact O-CB 3.44Å; F59-L62 PolarHBondContact O-N 3.14Å; F59-C63 PolarHBondContact O-N 2.88Å; F59-C63 PolarHBondContact O-SG 3.22Å; F59-C63 VanDerWaalsContact O-SG 3.41Å; F59-L78 HydrophobicContact CE2-CB 4.26Å; F59-L78 HydrophobicContact CE2-CD2 4.23Å; F59-L78 HydrophobicContact CZ-CB 4.24Å
60E90Very high89.1Confident121 Ų12156.8 Ų56.857%0.56530%0.295SS*.Hα-helixtrans-60.1-47.8172.7-67.9173.5154.300111.3P56 R57 L62 C63 N64P56-E60 PolarHBondContact O-N 2.97Å; R57-E60 PolarHBondContact O-N 2.99Å; E60-L62 VanDerWaalsContact C-N 3.34Å; E60-L62 PolarHBondContact O-N 3.02Å; E60-C63 PolarHBondContact O-N 3.27Å; E60-N64 PolarHBondContact O-N 3.18Å
61F93.8Very high89.2Confident33 Ų3356.9 Ų56.915%0.14530%0.295CS..Hα-helixtrans-65.2-33.2174.5-79.3-73000113.1Y20 L21 E24 I26 R57 N64 G65Y20-F61 HydrophobicContact CE1-CD1 4.23Å; Y20-F61 WeakPolarHBondContact CE1-O 3.28Å; L21-F61 HydrophobicContact CD2-CB 4Å; E24-F61 HydrophobicContact CB-CD1 3.66Å; E24-F61 HydrophobicContact CB-CE1 3.76Å; E24-F61 HydrophobicContact CB-CG 4.25Å; E24-F61 HydrophobicContact CB-CZ 4.45Å; E24-F61 HydrophobicContact CG-CD1 3.61Å; E24-F61 HydrophobicContact CG-CE1 3.62Å; E24-F61 WeakPolarHBondContact OE2-CE1 3.37Å; I26-F61 HydrophobicContact CD1-CB 4.43Å; I26-F61 HydrophobicContact CD1-CD2 3.8Å; I26-F61 HydrophobicContact CD1-CG 4.32Å; I26-F61 HydrophobicContact CG1-CB 3.75Å; I26-F61 HydrophobicContact CG1-CD2 3.89Å; I26-F61 HydrophobicContact CG1-CG 3.88Å; R57-F61 HydrophobicContact CG-CD2 3.91Å; R57-F61 HydrophobicContact CG-CE2 3.82Å; R57-F61 VanDerWaalsContact O-CD2 3.24Å; R57-F61 WeakPolarHBondContact O-CD2 3.2Å; R57-F61 PolarHBondContact O-N 2.99Å; R57-F61 VanDerWaalsContact O-N 3.1Å; F61-N64 PolarHBondContact O-N 2.96Å; F61-G65 PolarHBondContact O-N 3.2Å
62L94.3Very high88.7Confident0 Ų060.1 Ų60.10%032%0.315CS..Hα-helixtrans-60.2-46.4170.2178.566.6000111M1 M12 L17 L21 I48 I51 A58 F59 E60 G65 L66 L78M1-L62 HydrophobicContact SD-CD2 4.23Å; M12-L62 HydrophobicContact CE-CD1 3.97Å; L17-L62 HydrophobicContact CD1-CD1 4.32Å; L17-L62 HydrophobicContact CD2-CD1 3.96Å; L21-L62 HydrophobicContact CD1-CD1 4.35Å; I48-L62 HydrophobicContact CD1-CD2 3.91Å; I51-L62 HydrophobicContact CD1-CB 4.41Å; I51-L62 HydrophobicContact CG1-CD2 4.38Å; I51-L62 HydrophobicContact CG2-CB 4.38Å; I51-L62 HydrophobicContact CG2-CD2 4.09Å; A58-L62 WeakPolarHBondContact O-CB 3.47Å; A58-L62 PolarHBondContact O-N 2.87Å; F59-L62 HydrophobicContact CD2-CD2 4.44Å; F59-L62 WeakPolarHBondContact O-CB 3.44Å; F59-L62 PolarHBondContact O-N 3.14Å; E60-L62 VanDerWaalsContact C-N 3.34Å; E60-L62 PolarHBondContact O-N 3.02Å; L62-G65 PolarHBondContact O-N 3.38Å; L62-L66 HydrophobicContact CD1-CD1 4.26Å; L62-L66 HydrophobicContact CD1-CG 4.36Å; L62-L66 HydrophobicContact CG-CD1 4.04Å; L62-L66 WeakPolarHBondContact O-CB 3.38Å; L62-L66 WeakPolarHBondContact O-CG 3.38Å; L62-L66 PolarHBondContact O-N 2.86Å; L62-L78 HydrophobicContact CD2-CD1 4.36Å
63C92.5Very high88.7Confident11 Ų1160.1 Ų60.17%0.07432%0.316CS..Hα-helixtrans-65.5-40.1178.7-67.90000112.5F59 E60 L66 A67 M75F59-C63 PolarHBondContact O-N 2.88Å; F59-C63 PolarHBondContact O-SG 3.22Å; F59-C63 VanDerWaalsContact O-SG 3.41Å; E60-C63 PolarHBondContact O-N 3.27Å; C63-L66 PolarHBondContact O-N 2.81Å; C63-A67 PolarHBondContact O-N 3.35Å; C63-M75 HydrophobicContact CB-CG 4.31Å
64N90.9Very high88.7Confident80 Ų8052.4 Ų52.443%0.42829%0.287SS..Hα-helixtrans-64.4-44.7174.6-67.5-15.2000111.8Y20 E60 F61 L66 A67 L68Y20-N64 HydrophobicContact CE1-CB 4.33Å; Y20-N64 WeakPolarHBondContact OH-CB 3.37Å; E60-N64 PolarHBondContact O-N 3.18Å; F61-N64 PolarHBondContact O-N 2.96Å; N64-L66 VanDerWaalsContact C-N 3.34Å; N64-L66 PolarHBondContact O-N 2.87Å; N64-A67 WeakPolarHBondContact O-CB 3.33Å; N64-A67 PolarHBondContact O-N 2.71Å; N64-A67 VanDerWaalsContact O-N 3.17Å; N64-L68 WeakPolarHBondContact O-CB 3.33Å; N64-L68 WeakPolarHBondContact O-CG 3.36Å; N64-L68 PolarHBondContact O-N 2.88Å
65G92.1Very high88.9Confident1 Ų151.2 Ų51.21%0.0129%0.286CS..Hα-helixtrans-64.7-36.5177.300000112.9L17 Y20 F61 L62 L68 S69L17-G65 VanDerWaalsContact CD1-C 3.49Å; Y20-G65 VanDerWaalsContact CE1-CA 3.43Å; F61-G65 PolarHBondContact O-N 3.2Å; L62-G65 PolarHBondContact O-N 3.38Å; G65-L68 PolarHBondContact O-N 2.95Å; G65-S69 WeakPolarHBondContact O-CB 3.37Å; G65-S69 PolarHBondContact O-N 3.31Å; G65-S69 PolarHBondContact O-OG 3.45Å
66L93.2Very high88.9Confident0 Ų055.3 Ų55.30%030%0.298CS..Hα-helixtrans-66.5-36.9172.1-72.7169.7000112.2M12 L17 L62 C63 N64 Q71 L74 M75 L78M12-L66 HydrophobicContact CE-CD1 4.2Å; M12-L66 HydrophobicContact CE-CD2 4.04Å; M12-L66 HydrophobicContact CG-CD2 4.43Å; L17-L66 HydrophobicContact CD1-CD2 4.46Å; L17-L66 HydrophobicContact CD1-CG 4.35Å; L17-L66 HydrophobicContact CD2-CD2 4.05Å; L62-L66 HydrophobicContact CD1-CD1 4.26Å; L62-L66 HydrophobicContact CD1-CG 4.36Å; L62-L66 HydrophobicContact CG-CD1 4.04Å; L62-L66 WeakPolarHBondContact O-CB 3.38Å; L62-L66 WeakPolarHBondContact O-CG 3.38Å; L62-L66 PolarHBondContact O-N 2.86Å; C63-L66 PolarHBondContact O-N 2.81Å; N64-L66 VanDerWaalsContact C-N 3.34Å; N64-L66 PolarHBondContact O-N 2.87Å; L66-Q71 HydrophobicContact CB-CB 4.23Å; L66-Q71 HydrophobicContact CD2-CB 3.62Å; L66-Q71 HydrophobicContact CD2-CG 4.18Å; L66-Q71 CarbonylContact O-C 3.54Å; L66-Q71 VanDerWaalsContact O-CA 3.29Å; L66-Q71 WeakPolarHBondContact O-CA 3.5Å; L66-Q71 WeakPolarHBondContact O-CB 3.44Å; L66-Q71 PolarHBondContact O-N 3.06Å; L66-L74 HydrophobicContact CD1-CB 4.1Å; L66-L74 HydrophobicContact CD2-CB 4.09Å; L66-L74 HydrophobicContact CD2-CD1 4.11Å; L66-M75 HydrophobicContact CB-CB 4.12Å; L66-L78 HydrophobicContact CD1-CD1 3.5Å; L66-L78 VanDerWaalsContact CD1-CD1 3.5Å
67A87.8Confident89Confident46 Ų4656.1 Ų56.138%0.3829%0.29SS..Hα-helixtrans-68-43.2174.100000112.1C63 N64 G70C63-A67 PolarHBondContact O-N 3.35Å; N64-A67 WeakPolarHBondContact O-CB 3.33Å; N64-A67 PolarHBondContact O-N 2.71Å; N64-A67 VanDerWaalsContact O-N 3.17Å; A67-G70 PolarHBondContact O-N 3.02Å
68L87.1Confident88.8Confident119 Ų11949.1 Ų49.162%0.62326%0.264SS*.Hα-helixtrans-68.8-37.4-179.1-72.1166.1000113.1Y20 N64 G65 G70Y20-L68 HydrophobicContact CD2-CD1 3.88Å; Y20-L68 HydrophobicContact CE2-CD1 3.33Å; N64-L68 WeakPolarHBondContact O-CB 3.33Å; N64-L68 WeakPolarHBondContact O-CG 3.36Å; N64-L68 PolarHBondContact O-N 2.88Å; G65-L68 PolarHBondContact O-N 2.95Å; L68-G70 PolarHBondContact O-N 3.24Å
69S84.4Confident88Confident24 Ų2452 Ų5217%0.16828%0.284CS..THydrogen-bonded Turntrans-84.117.1177.258.60000114.4G65 Q71G65-S69 WeakPolarHBondContact O-CB 3.37Å; G65-S69 PolarHBondContact O-N 3.31Å; G65-S69 PolarHBondContact O-OG 3.45Å; S69-Q71 PolarHBondContact O-N 3.2Å; S69-Q71 VanDerWaalsContact O-N 3.17Å; S69-Q71 PolarHBondContact OG-NE2 2.91Å
70G84.6Confident86.3Confident55 Ų5554.3 Ų54.357%0.56731%0.307SS*.THydrogen-bonded Turntrans70.95.917800000115.8A67 L68 T72A67-G70 PolarHBondContact O-N 3.02Å; L68-G70 PolarHBondContact O-N 3.24Å; G70-T72 PolarHBondContact O-N 3.41Å
71Q92Very high83.7Confident5 Ų553.4 Ų53.42%0.02331%0.313CS..  trans-84.143.6-179.6-56.9-177.764.700112.5D13 L66 S69 H73 L74 M75D13-Q71 HydrophobicContact CB-CG 4.48Å; D13-Q71 PolarHBondContact O-NE2 2.95Å; L66-Q71 HydrophobicContact CB-CB 4.23Å; L66-Q71 HydrophobicContact CD2-CB 3.62Å; L66-Q71 HydrophobicContact CD2-CG 4.18Å; L66-Q71 CarbonylContact O-C 3.54Å; L66-Q71 VanDerWaalsContact O-CA 3.29Å; L66-Q71 WeakPolarHBondContact O-CA 3.5Å; L66-Q71 WeakPolarHBondContact O-CB 3.44Å; L66-Q71 PolarHBondContact O-N 3.06Å; S69-Q71 PolarHBondContact O-N 3.2Å; S69-Q71 VanDerWaalsContact O-N 3.17Å; S69-Q71 PolarHBondContact OG-NE2 2.91Å; Q71-H73 PolarHBondContact O-N 3.47Å; Q71-L74 HydrophobicContact CB-CD1 4.4Å; Q71-L74 PolarHBondContact O-N 3.17Å; Q71-M75 PolarHBondContact O-N 3.45Å
72T84.2Confident80.8Confident69 Ų6960.2 Ų60.242%0.42335%0.346SS..Hα-helixtrans-57.9-34.7-175.852.10000112.7G70 L74 M75 E76G70-T72 PolarHBondContact O-N 3.41Å; T72-L74 PolarHBondContact O-N 3.14Å; T72-M75 PolarHBondContact O-N 2.8Å; T72-M75 VanDerWaalsContact O-N 3.13Å; T72-E76 WeakPolarHBondContact O-CG 3.31Å; T72-E76 PolarHBondContact O-N 2.75Å
73H86.9Confident77.7Confident93 Ų9365.5 Ų65.543%0.43138%0.378SS..Hα-helixtrans-60.8-29176.672.2-69000113.6S11 Q71 K77S11-H73 WeakPolarHBondContact CB-NE2 3.12Å; S11-H73 PolarHBondContact O-NE2 2.92Å; S11-H73 PolarHBondContact OG-NE2 3.37Å; Q71-H73 PolarHBondContact O-N 3.47Å; H73-K77 WeakPolarHBondContact O-CG 3.47Å
74L88.9Confident74.6Confident0 Ų071.4 Ų71.40%041%0.414CS..Hα-helixtrans-83.2-39.9173.6-80.7165.7000111.6L7 I8 M12 L66 Q71 T72 K77 L78L7-L74 HydrophobicContact CD2-CD2 4.02Å; L7-L74 HydrophobicContact CG-CD2 3.86Å; I8-L74 HydrophobicContact CG1-CD2 3.98Å; M12-L74 HydrophobicContact CB-CD1 3.83Å; M12-L74 HydrophobicContact CG-CD1 4.42Å; L66-L74 HydrophobicContact CD1-CB 4.1Å; L66-L74 HydrophobicContact CD2-CB 4.09Å; L66-L74 HydrophobicContact CD2-CD1 4.11Å; Q71-L74 HydrophobicContact CB-CD1 4.4Å; Q71-L74 PolarHBondContact O-N 3.17Å; T72-L74 PolarHBondContact O-N 3.14Å; L74-K77 PolarHBondContact O-N 3.29Å; L74-L78 WeakPolarHBondContact O-CB 3.48Å; L74-L78 VanDerWaalsContact O-CG 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.24Å; L74-L78 PolarHBondContact O-N 2.8Å
75M89.4Confident71.9Confident53 Ų5373.4 Ų73.426%0.26143%0.432SS..Hα-helixtrans-59.4-50.8176.3-174-79.6-69.200110.8C63 L66 Q71 T72 K77 L78 C79C63-M75 HydrophobicContact CB-CG 4.31Å; L66-M75 HydrophobicContact CB-CB 4.12Å; Q71-M75 PolarHBondContact O-N 3.45Å; T72-M75 PolarHBondContact O-N 2.8Å; T72-M75 VanDerWaalsContact O-N 3.13Å; M75-K77 VanDerWaalsContact C-N 3.35Å; M75-K77 PolarHBondContact O-N 3.07Å; M75-L78 CarbonylContact O-C 3.59Å; M75-L78 PolarHBondContact O-N 3.07Å; M75-C79 WeakPolarHBondContact O-CB 3.4Å; M75-C79 PolarHBondContact O-N 3.29Å; M75-C79 PolarHBondContact O-SG 3.03Å; M75-C79 VanDerWaalsContact O-SG 3.35Å; M75-C79 HydrophobicContact SD-CB 4.16Å
76E82.9Confident68.8Low113 Ų11378.3 Ų78.353%0.52847%0.472SS..Hα-helixtrans-55.3-47.7175.4-71.6173-175.500112T72 L78 C79 C80T72-E76 WeakPolarHBondContact O-CG 3.31Å; T72-E76 PolarHBondContact O-N 2.75Å; E76-L78 PolarHBondContact O-N 2.69Å; E76-C79 PolarHBondContact O-N 3.4Å; E76-C80 WeakPolarHBondContact O-CB 3.29Å; E76-C80 PolarHBondContact O-N 2.84Å; E76-C80 PolarHBondContact O-SG 3.36Å
77K82.4Confident65.6Low128 Ų12882.4 Ų82.456%0.55751%0.506SS*.Hα-helixtrans-64.6-28.3178.7-72.6-72.9-178.4-166.10113.1N4 L7 H73 L74 M75N4-K77 PolarHBondContact ND2-O 3.03Å; L7-K77 HydrophobicContact CD2-CB 3.83Å; L7-K77 HydrophobicContact CD2-CD 4.34Å; L7-K77 HydrophobicContact CD2-CG 3.67Å; H73-K77 WeakPolarHBondContact O-CG 3.47Å; L74-K77 PolarHBondContact O-N 3.29Å; M75-K77 VanDerWaalsContact C-N 3.35Å; M75-K77 PolarHBondContact O-N 3.07Å
78L82Confident62.9Low19 Ų1988 Ų8810%0.09953%0.529CS..Hα-helixtrans-84.7-31.6177.6-76.1171.7000113.3M1 I8 F59 L62 L66 L74 M75 E76M1-L78 HydrophobicContact CB-CD2 4.48Å; M1-L78 HydrophobicContact CG-CD2 3.94Å; I8-L78 HydrophobicContact CD1-CD2 3.92Å; F59-L78 HydrophobicContact CE2-CB 4.26Å; F59-L78 HydrophobicContact CE2-CD2 4.23Å; F59-L78 HydrophobicContact CZ-CB 4.24Å; L62-L78 HydrophobicContact CD2-CD1 4.36Å; L66-L78 HydrophobicContact CD1-CD1 3.5Å; L66-L78 VanDerWaalsContact CD1-CD1 3.5Å; L74-L78 WeakPolarHBondContact O-CB 3.48Å; L74-L78 VanDerWaalsContact O-CG 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.24Å; L74-L78 PolarHBondContact O-N 2.8Å; M75-L78 CarbonylContact O-C 3.59Å; M75-L78 PolarHBondContact O-N 3.07Å; E76-L78 PolarHBondContact O-N 2.69Å
79C76Confident60Low62 Ų6290 Ų9042%0.41954%0.536SS..Hα-helixtrans-94.4-22.6-174.8-66.80000114.6M75 E76 S81M75-C79 WeakPolarHBondContact O-CB 3.4Å; M75-C79 PolarHBondContact O-N 3.29Å; M75-C79 PolarHBondContact O-SG 3.03Å; M75-C79 VanDerWaalsContact O-SG 3.35Å; M75-C79 HydrophobicContact SD-CB 4.16Å; E76-C79 PolarHBondContact O-N 3.4Å; C79-S81 PolarHBondContact O-N 3.44Å
80C56.4Low57.3Low109 Ų10995.7 Ų95.774%0.73656%0.56SS**  trans-74.2121.1-179-72.80000113.8E76E76-C80 WeakPolarHBondContact O-CB 3.29Å; E76-C80 PolarHBondContact O-N 2.84Å; E76-C80 PolarHBondContact O-SG 3.36Å
81S35.5Very low54.6Low101 Ų10198.7 Ų98.771%0.70657%0.568SS**  trans-130.2151.2167.853.40000111.7C79C79-S81 PolarHBondContact O-N 3.44Å
82E34Very low51.6Low176 Ų176105 Ų10582%0.82261%0.607SS**  trans82.4145.2174.4-49.9-162.1170.400115.4
83T29.3Very low48.9Very low112 Ų112110.4 Ų110.469%0.68763%0.629SS**  cis-160.6147.47.2-2.10000115
84T26.9Very low46Very low134 Ų134109.8 Ų109.882%0.82264%0.641SS**  trans66.8157.6149.5410000126.6
85P35Very low43.3Very low123 Ų123116.6 Ų116.680%0.79967%0.672SS**  trans-135.5-174.2-160.644.6-25.9000119.7
86A25.8Very low40.4Very low104 Ų104123.1 Ų123.186%0.8670%0.695SS**  trans99.5167171.200000116.3
87A26.9Very low37.8Very low86 Ų86122.2 Ų122.271%0.71170%0.702SS**  cis-155.6-166.88.500000113.7
88L30.3Very low35.1Very low164 Ų164123.8 Ų123.886%0.85972%0.716SS**  trans67.6129.1174.5-77.986.9000118.4
89M26.7Very low32.6Very low159 Ų159127.3 Ų127.378%0.78375%0.748SS**  cis66.5139.141-81.2-171.2155.800114.2
90Q28Very low30.4Very low144 Ų144130.7 Ų130.767%0.67377%0.767SS**  cis-166.5164.720.7-134.4169.414.600112.6
91T27.3Very low28.9Very low119 Ų119132.5 Ų132.573%0.7377%0.768SS**  trans63.9154.7154.639.50000120.9
92T29Very low28.7Very low136 Ų136137.2 Ų137.283%0.83478%0.779SS**  cis-148.7171.711.8-80000113
93M26.3Very low28.3Very low183 Ų183136 Ų13690%0.90178%0.778SS**  trans-105.9167.3-178.5-77-176.7159.100115
94A27.5Very low28.3Very low81 Ų81134.5 Ų134.567%0.66979%0.786SS**  122.1128.6129.700000118
95H31Very low28.4Very low143 Ų143135 Ų13566%0.66279%0.788SS**  175.2136.7114.1-94.7-53.7000115.9
96Y29.5Very low28.1Very low190 Ų190132.1 Ų132.175%0.74578%0.782SS**  trans51.1128.8157.3-51-59.4000120.3
97S27.3Very low28.3Very low94 Ų94137.4 Ų137.466%0.65779%0.786SS**  cis67.4144.93787.80000114.2
98N26Very low28.3Very low160 Ų160142 Ų14286%0.85679%0.792SS**  cis-170.8-176.4-7.2-121.21.7000106.8
99A29.9Very low28.3Very low93 Ų93143.5 Ų143.577%0.76980%0.795SS**  trans100.5141.716600000117.8
100T29.3Very low28.3Very low134 Ų134139.9 Ų139.982%0.82279%0.785SS**  cis-158.2166.6-31.4-25.50000109
101L25.5Very low28.6Very low146 Ų146141.1 Ų141.176%0.76479%0.791SS**  trans-81.7162.6170.3-65.292.2000112.6
102E30.5Very low28.6Very low200 Ų200140.8 Ų140.894%0.93579%0.793SS**  trans-152.5155.8138-122.8166.4-143.200113
103N26.8Very low28.6Very low150 Ų150140.3 Ų140.380%0.80279%0.793SS**  trans-104.7159.7-165.6-73.5-44.6000113.5
104G29.5Very low28.7Very low82 Ų82137.9 Ų137.985%0.84579%0.788SS**  trans-142.2120.1163.200000111.4
105T27.5Very low28.6Very low143 Ų143139.4 Ų139.488%0.87779%0.791SS**  trans-104.4156.2-174.547.10000112.4
106G29.1Very low28.6Very low64 Ų64138.4 Ų138.466%0.6680%0.797SS**  trans174108.6167.800000117.5
107F30.8Very low28.6Very low215 Ų215136.2 Ų136.294%0.94380%0.804SS**  trans81.1123.1154.4-64.1-80.8000121.7
108E26.4Very low28.6Very low182 Ų182135.6 Ų135.685%0.8580%0.799SS**  trans-99.5156.7169.7-55.7172.7124.300109.8
109E30.5Very low28.8Very low195 Ų195133 Ų13391%0.91179%0.791SS**  179.1173.4118.7-98.7-174.2178.900112.4
110S26.9Very low28.9Very low83 Ų83133 Ų13358%0.5878%0.781SS**  trans-92.5159.7-152.854.70000117.4
111H33.2Very low29Very low171 Ų171130.5 Ų130.579%0.79277%0.766SS**  170.9123.9112.3-84.2-55.1000114.9
112S28.7Very low29.2Very low112 Ų112128.2 Ų128.278%0.78375%0.753SS**  trans52.2149.9145.2-60.90000123.4
113P28.6Very low29.4Very low126 Ų126124.8 Ų124.882%0.81874%0.742SS**  trans-97.4142.2-158.337.1-34.8000115.8
114V28.4Very low29.6Very low132 Ų132125.3 Ų125.380%0.874%0.737SS**  trans-135.3134.2167.7-179.30000108.6P116V114-P116 WeakPolarHBondContact O-CD 3.44Å
115P25.9Very low29.7Very low113 Ų113125 Ų12573%0.73471%0.712SS**  trans-80123.3-169.429.8-34.5000113.1T117P115-T117 PolarHBondContact O-N 3.35Å
116P30.9Very low30.1Very low122 Ų122121.4 Ų121.479%0.79268%0.683SS**  trans-87.997.5-178.232.6-32.1000112.5V114 S118V114-P116 WeakPolarHBondContact O-CD 3.44Å; P116-S118 PolarHBondContact O-N 2.96Å; P116-S118 VanDerWaalsContact O-N 3.09Å
117T28Very low30.3Very low144 Ų144122 Ų12288%0.88368%0.681SS**  trans-6892.5158.849.50000110.5P115P115-T117 PolarHBondContact O-N 3.35Å
118S27.9Very low30.2Very low80 Ų80113.2 Ų113.256%0.55965%0.649SS**SBendtrans-161.2143.7172.6-171.70000111.6P116 V120P116-S118 PolarHBondContact O-N 2.96Å; P116-S118 VanDerWaalsContact O-N 3.09Å; S118-V120 PolarHBondContact O-N 3.26Å
119P30.6Very low30.4Very low107 Ų107111.1 Ų111.170%0.69564%0.639SS**SBendtrans-77.338.2-167.432.4-37.9000116.3V121P119-V121 PolarHBondContact O-N 3.02Å
120V31.5Very low30.4Very low92 Ų92106.1 Ų106.156%0.55863%0.626SS**THydrogen-bonded Turntrans-71.8-9.1-178.8-175.10000113.2S118S118-V120 PolarHBondContact O-N 3.26Å
121V30.8Very low30.6Very low82 Ų82105.9 Ų105.950%0.49762%0.618SS.*Hα-helixtrans-78.2-24.2-178.1-176.90000112.7P119 K124 F125P119-V121 PolarHBondContact O-N 3.02Å; V121-K124 PolarHBondContact O-N 2.91Å; V121-F125 HydrophobicContact CG1-CD2 3.91Å; V121-F125 HydrophobicContact CG1-CE2 3.96Å; V121-F125 PolarHBondContact O-N 3.33Å
122L31.3Very low30.4Very low97 Ų97106.8 Ų106.851%0.50862%0.62SS.*Hα-helixtrans-66.7-43.7-177.3-120.781.4000112.6K124 F125 Y126L122-K124 VanDerWaalsContact C-N 3.27Å; L122-K124 PolarHBondContact O-N 3.19Å; L122-F125 VanDerWaalsContact O-CB 3.3Å; L122-F125 WeakPolarHBondContact O-CB 3.15Å; L122-F125 PolarHBondContact O-N 3.4Å; L122-Y126 HydrophobicContact CD2-CE2 4.45Å; L122-Y126 HydrophobicContact CG-CE2 4.45Å; L122-Y126 WeakPolarHBondContact O-CD2 3.4Å; L122-Y126 PolarHBondContact O-N 2.98Å
123D33.7Very low30.3Very low129 Ų129105.1 Ų105.169%0.6961%0.607SS**Hα-helixtrans-68.1-28.9-177.9-64.7-31.9000112.2F125 Y126 A127D123-F125 VanDerWaalsContact C-N 3.34Å; D123-Y126 PolarHBondContact O-N 3.19Å; D123-A127 PolarHBondContact O-N 3.46Å
124K31.8Very low30.1Very low161 Ų161104.9 Ų104.970%0.761%0.607SS**Hα-helixtrans-73.8-22.6171.3-70.2-172.6176.8-1780113.6V121 L122V121-K124 PolarHBondContact O-N 2.91Å; L122-K124 VanDerWaalsContact C-N 3.27Å; L122-K124 PolarHBondContact O-N 3.19Å
125F31.8Very low30.1Very low74 Ų74102.1 Ų102.133%0.32561%0.605SS.*Hα-helixtrans-73.3-27.1172.4-105.4-103.5000112.7V121 L122 D123 F516 Y528V121-F125 HydrophobicContact CG1-CD2 3.91Å; V121-F125 HydrophobicContact CG1-CE2 3.96Å; V121-F125 PolarHBondContact O-N 3.33Å; L122-F125 VanDerWaalsContact O-CB 3.3Å; L122-F125 WeakPolarHBondContact O-CB 3.15Å; L122-F125 PolarHBondContact O-N 3.4Å; D123-F125 VanDerWaalsContact C-N 3.34Å; F125-F516 AromaticContact CE1-CE2 3.8Å; F125-F516 HydrophobicContact CE1-CE2 3.8Å; F125-F516 AromaticContact CZ-CE2 3.66Å; F125-F516 HydrophobicContact CZ-CE2 3.66Å; F125-F516 HydrophobicContact CZ-CZ 4.13Å; F125-Y528 HydrophobicContact CZ-CD1 4.42Å
126Y35.6Very low30.2Very low69 Ų69100.9 Ų100.927%0.27160%0.596SS.*Hα-helixtrans-98.3-11.3179.8-69.3-71.4000114.3L122 D123 A128 E761L122-Y126 HydrophobicContact CD2-CE2 4.45Å; L122-Y126 HydrophobicContact CG-CE2 4.45Å; L122-Y126 WeakPolarHBondContact O-CD2 3.4Å; L122-Y126 PolarHBondContact O-N 2.98Å; D123-Y126 PolarHBondContact O-N 3.19Å; Y126-A128 PolarHBondContact O-N 3.4Å; Y126-E761 HydrophobicContact CE1-CB 4.5Å; Y126-E761 PolarHBondContact OH-O 3.18Å
127A32.5Very low30Very low75 Ų75100.1 Ų100.162%0.6259%0.591SS**THydrogen-bonded Turntrans-699.3176.700000115.8D123D123-A127 PolarHBondContact O-N 3.46Å
128A29.2Very low29.9Very low32 Ų3298.3 Ų98.326%0.26459%0.59SS.*THydrogen-bonded Turntrans-91.513.9179.500000114.1Y126 S130 L131Y126-A128 PolarHBondContact O-N 3.4Å; A128-S130 PolarHBondContact O-N 3.05Å; A128-L131 PolarHBondContact O-N 2.65Å
129E30.8Very low30.3Very low137 Ų13799.1 Ų99.164%0.6459%0.592SS**THydrogen-bonded Turntrans-63-18.4-179.2-73.5175.5172.800114R773E129-R773 IonicContact OE1-CZ 2.67Å; E129-R773 IonicContact OE1-NH1 3.76Å; E129-R773 PolarHBondContact OE1-NH1 2.99Å
130S30.2Very low30.9Very low91 Ų9198.9 Ų98.964%0.63659%0.585SS**THydrogen-bonded Turntrans-87.3-5.5-179.958.30000115.6A128 F132A128-S130 PolarHBondContact O-N 3.05Å; S130-F132 PolarHBondContact O-N 3.36Å
131L30.4Very low31.6Very low78 Ų7895.1 Ų95.141%0.40856%0.564SS.*THydrogen-bonded Turntrans-87.10-170.3-95.1159.8000116A128 C133 V136A128-L131 PolarHBondContact O-N 2.65Å; L131-C133 VanDerWaalsContact C-N 3.27Å; L131-V136 HydrophobicContact CD2-CG2 4.46Å
132F29.2Very low32.7Very low189 Ų18996.3 Ų96.383%0.82956%0.561SS**THydrogen-bonded Turntrans-84.7-0.4169.8-77.8-84.3000113.5S130S130-F132 PolarHBondContact O-N 3.36Å
133C27.4Very low34.2Very low77 Ų7794.1 Ų94.152%0.5255%0.549SS..SBendtrans-126102.1169.2-62.70000110.2L131L131-C133 VanDerWaalsContact C-N 3.27Å
134C25.3Very low35.3Very low121 Ų12195.3 Ų95.382%0.81855%0.551SS**SBendtrans73144172.3-53.90000118
135G27.8Very low36.7Very low74 Ų7496 Ų9676%0.76356%0.556SS**  trans118.50.3144.700000121.9
136V27Very low38.7Very low88 Ų8892.9 Ų92.953%0.53354%0.543SS..  trans-73.5129.8179.1-1760000111.5L131L131-V136 HydrophobicContact CD2-CG2 4.46Å
137P27.3Very low40.9Very low106 Ų10695.3 Ų95.369%0.68856%0.561SS**  trans-55.8145.6-177.2-28.335.5000115T139P137-T139 PolarHBondContact O-N 3.49Å
138A26.2Very low43.3Very low105 Ų10592.5 Ų92.587%0.86854%0.536SS*.  trans-74.9114.6-175.200000112.2
139T35.9Very low45.8Very low98 Ų9895.1 Ų95.160%0.60154%0.543SS*.  trans-103.9133.9147.971.30000106.6P137 G141 R345P137-T139 PolarHBondContact O-N 3.49Å; T139-G141 PolarHBondContact O-N 3.02Å; T139-G141 VanDerWaalsContact O-N 3.16Å; T139-R345 PolarHBondContact OG1-NH2 2.89Å
140D44.3Very low47.7Very low101 Ų10196.9 Ų96.954%0.5455%0.548SS..  trans-67.6-15.3-167.269.5-7.4000114.7Y142 I193D140-Y142 VanDerWaalsContact C-N 3.26Å; D140-Y142 PolarHBondContact OD1-N 3.05Å; D140-Y142 WeakPolarHBondContact OD2-CB 3.3Å; D140-I193 WeakPolarHBondContact O-CD1 3.48Å
141G45.2Very low49.2Very low13 Ų1396 Ų9613%0.13454%0.542CS..  trans83.3-1-179.400000113.9T139 I193 N197T139-G141 PolarHBondContact O-N 3.02Å; T139-G141 VanDerWaalsContact O-N 3.16Å; G141-I193 VanDerWaalsContact C-CG2 3.44Å; G141-I193 WeakPolarHBondContact O-CG2 3.5Å; G141-N197 PolarHBondContact O-ND2 3.49Å
142Y54.4Low50.4Low107 Ų10795.4 Ų95.442%0.4255%0.554SS.*  trans-74.7128.5173.3-162.8-105.1000108.7D140 E144 R200D140-Y142 VanDerWaalsContact C-N 3.26Å; D140-Y142 PolarHBondContact OD1-N 3.05Å; D140-Y142 WeakPolarHBondContact OD2-CB 3.3Å; Y142-E144 VanDerWaalsContact C-N 3.29Å; Y142-E144 HydrophobicContact CD1-CG 4.31Å; Y142-E144 PolarHBondContact O-N 2.91Å; Y142-R200 VanDerWaalsContact CE1-CZ 3.42Å; Y142-R200 VanDerWaalsContact CE1-NH1 3.34Å; Y142-R200 WeakPolarHBondContact OH-CD 3.05Å; Y142-R200 PolarHBondContact OH-NE 3.25Å
143L61.8Low51.6Low51 Ų5194.6 Ų94.627%0.26755%0.55SS.*  trans-7982.5176.5-64.4173.8000108.4Q145 L146 N197 R200 C354L143-Q145 PolarHBondContact O-N 2.95Å; L143-L146 HydrophobicContact CB-CB 3.93Å; L143-L146 HydrophobicContact CB-CD1 4.4Å; L143-L146 HydrophobicContact CD1-CD1 3.89Å; L143-L146 WeakPolarHBondContact O-CB 3.34Å; L143-L146 PolarHBondContact O-N 3.47Å; L143-N197 HydrophobicContact CD1-CB 4.41Å; L143-N197 PolarHBondContact N-OD1 2.98Å; L143-R200 VanDerWaalsContact O-CZ 3.27Å; L143-R200 PolarHBondContact O-NH1 3.18Å; L143-R200 PolarHBondContact O-NH2 3.43Å; L143-C354 HydrophobicContact CD1-CB 3.68Å
144E57.8Low53Low154 Ų15496.6 Ų96.672%0.7255%0.554SS**THydrogen-bonded Turntrans-53.3-37.5-176.2-68.1-173.314700112.5Y142Y142-E144 VanDerWaalsContact C-N 3.29Å; Y142-E144 HydrophobicContact CD1-CG 4.31Å; Y142-E144 PolarHBondContact O-N 2.91Å
145Q61.6Low54.3Low175 Ų17594.1 Ų94.182%0.81854%0.537SS*.THydrogen-bonded Turntrans-98.824.8-177.3-60.2-177.3-4.600114.3L143 N147L143-Q145 PolarHBondContact O-N 2.95Å; Q145-N147 PolarHBondContact O-N 3Å
146L73.1Confident55.6Low9 Ų9100.6 Ų100.65%0.04755%0.547CS..  trans-71.289177.9-170.288.3000112L143 R200 L201 Q204 C354L143-L146 HydrophobicContact CB-CB 3.93Å; L143-L146 HydrophobicContact CB-CD1 4.4Å; L143-L146 HydrophobicContact CD1-CD1 3.89Å; L143-L146 WeakPolarHBondContact O-CB 3.34Å; L143-L146 PolarHBondContact O-N 3.47Å; L146-R200 HydrophobicContact CD2-CB 3.77Å; L146-L201 HydrophobicContact CD2-CB 4.26Å; L146-Q204 PolarHBondContact O-NE2 3.13Å; L146-C354 HydrophobicContact CD1-CB 3.91Å
147N81.1Confident56.9Low121 Ų121102.1 Ų102.165%0.64755%0.552SS**  trans-113.3127.8171.3-69.2-45000110.2Q145Q145-N147 PolarHBondContact O-N 3Å
148V82.6Confident58Low16 Ų16100.8 Ų100.810%0.09753%0.534CS..PPolyproline II helixtrans-79.6121.3175.3176.90000109.6K150 L201 Q204 L205 S358V148-K150 PolarHBondContact O-N 3.26Å; V148-L201 HydrophobicContact CG2-CD1 4.2Å; V148-Q204 HydrophobicContact CB-CB 3.85Å; V148-Q204 HydrophobicContact CG2-CB 3.41Å; V148-Q204 VanDerWaalsContact CG2-CB 3.41Å; V148-Q204 HydrophobicContact CG2-CG 4.37Å; V148-L205 HydrophobicContact CG1-CD2 3.7Å; V148-L205 HydrophobicContact CG1-CG 4.26Å; V148-L205 HydrophobicContact CG2-CG 4.39Å; V148-S358 WeakPolarHBondContact CA-O 3.48Å
149E81.7Confident59.5Low87 Ų8798.5 Ų98.541%0.40751%0.508SS..PPolyproline II helixtrans-60.5126.7169.1-70.2-178.1-155.900109S358 C362 R363E149-S358 PolarHBondContact N-O 3.2Å; E149-C362 VanDerWaalsContact O-CB 3.27Å; E149-C362 WeakPolarHBondContact O-CB 3.45Å; E149-R363 IonicContact OE1-NH2 3.55Å; E149-R363 IonicContact OE2-CZ 3.98Å; E149-R363 IonicContact OE2-NH1 2.72Å; E149-R363 IonicContact OE2-NH2 3.39Å; E149-R363 PolarHBondContact OE2-NH2 2.86Å
150K71.9Confident60.4Low173 Ų173101.3 Ų101.375%0.75251%0.514SS*.PPolyproline II helixtrans-103.9125.8179-67.2-179.6-178.6174.70109.9V148V148-K150 PolarHBondContact O-N 3.26Å
151C61.6Low60.8Low74 Ų74101.4 Ų101.450%0.552%0.522SS..PPolyproline II helixtrans-77.6133.6167-163.60000110F153 C362C151-F153 PolarHBondContact SG-O 3.35Å; C151-C362 HydrophobicContact CB-CB 4.14Å
152G54.6Low60.9Low64 Ų64107.4 Ų107.466%0.6655%0.547SS*.  trans-88.4-3.7175.300000114.1
153F54.9Low61.1Low173 Ų173107.3 Ų107.376%0.75955%0.546SS*.  trans-136.8140.4-162.8-30.2-75.5000109.9C151C151-F153 PolarHBondContact SG-O 3.35Å
154I56.2Low61.2Low118 Ų118109.6 Ų109.661%0.60555%0.552SS**  trans-89.4136.5159.2-62.4173.5000105.2Y158I154-Y158 HydrophobicContact CG2-CD1 4.38Å; I154-Y158 HydrophobicContact CG2-CD2 3.87Å; I154-Y158 HydrophobicContact CG2-CG 3.67Å
155P54.4Low61.8Low69 Ų69107.7 Ų107.745%0.44854%0.542SS..  trans-54.6140.9175.2-24.334.6000111.5D157 Y158P155-D157 WeakPolarHBondContact CB-OD1 3.34Å; P155-D157 PolarHBondContact O-N 2.96Å; P155-Y158 VanDerWaalsContact O-CB 3.31Å; P155-Y158 WeakPolarHBondContact O-CB 3.3Å; P155-Y158 PolarHBondContact O-N 3.03Å; P155-Y158 VanDerWaalsContact O-N 3.08Å
156E53.2Low62.6Low211 Ų211101 Ų10199%0.98651%0.511SS*.THydrogen-bonded Turntrans-65.1-20.2-177.6-66.7-174.2158.900112.6
157D55.1Low62.8Low119 Ų119103.9 Ų103.964%0.63653%0.532SS*.THydrogen-bonded Turntrans-95.114.9176.460.2-30.2000113.7P155 N159P155-D157 WeakPolarHBondContact CB-OD1 3.34Å; P155-D157 PolarHBondContact O-N 2.96Å; D157-N159 PolarHBondContact O-N 3.34Å
158Y51.5Low63Low78 Ų7899.1 Ų99.131%0.30651%0.508SS..  trans-55.8107.5179.7174.7-93.4000112.6I154 P155 E160 Y163I154-Y158 HydrophobicContact CG2-CD1 4.38Å; I154-Y158 HydrophobicContact CG2-CD2 3.87Å; I154-Y158 HydrophobicContact CG2-CG 3.67Å; P155-Y158 VanDerWaalsContact O-CB 3.31Å; P155-Y158 WeakPolarHBondContact O-CB 3.3Å; P155-Y158 PolarHBondContact O-N 3.03Å; P155-Y158 VanDerWaalsContact O-N 3.08Å; Y158-E160 HydrophobicContact CD1-CG 4.48Å; Y158-E160 HydrophobicContact CE1-CG 3.67Å; Y158-Y163 AromaticContact CD2-CD2 4Å; Y158-Y163 HydrophobicContact CD2-CD2 4Å; Y158-Y163 HydrophobicContact CD2-CG 4.14Å; Y158-Y163 HydrophobicContact CE2-CD2 4.33Å; Y158-Y163 HydrophobicContact CE2-CG 4.12Å
159N57.4Low63.1Low58 Ų58110 Ų11031%0.3155%0.547SS..  trans-100.1116.2179.2-177.84.6000111D157 S161 E162 Y163D157-N159 PolarHBondContact O-N 3.34Å; N159-S161 VanDerWaalsContact CG-OG 3.29Å; N159-S161 PolarHBondContact ND2-OG 2.81Å; N159-S161 PolarHBondContact O-N 3.3Å; N159-S161 VanDerWaalsContact O-N 3.08Å; N159-S161 PolarHBondContact OD1-N 2.89Å; N159-S161 VanDerWaalsContact OD1-N 3.09Å; N159-S161 PolarHBondContact OD1-OG 3.05Å; N159-E162 HydrophobicContact CB-CB 4.34Å; N159-E162 HydrophobicContact CB-CG 4.47Å; N159-E162 PolarHBondContact ND2-OE1 2.83Å; N159-E162 PolarHBondContact O-N 3.24Å; N159-Y163 WeakPolarHBondContact O-CD2 3.41Å; N159-Y163 PolarHBondContact O-N 2.71Å
160E54.6Low63.5Low157 Ų157108.2 Ų108.273%0.73454%0.544SS*.THydrogen-bonded Turntrans-62.3-13.6178.3-73.8-164.4148.300114.2Y158Y158-E160 HydrophobicContact CD1-CG 4.48Å; Y158-E160 HydrophobicContact CE1-CG 3.67Å
161S52Low64.3Low102 Ų102103 Ų10371%0.71352%0.521SS*.THydrogen-bonded Turntrans-86.8-13.7173.569.40000114.7N159N159-S161 VanDerWaalsContact CG-OG 3.29Å; N159-S161 PolarHBondContact ND2-OG 2.81Å; N159-S161 PolarHBondContact O-N 3.3Å; N159-S161 VanDerWaalsContact O-N 3.08Å; N159-S161 PolarHBondContact OD1-N 2.89Å; N159-S161 VanDerWaalsContact OD1-N 3.09Å; N159-S161 PolarHBondContact OD1-OG 3.05Å
162E46.7Very low65.7Low139 Ų13999.5 Ų99.565%0.6550%0.497SS*.THydrogen-bonded Turntrans-108.7-32.4-177.9-73.1168.3-145.300112.9N159N159-E162 HydrophobicContact CB-CB 4.34Å; N159-E162 HydrophobicContact CB-CG 4.47Å; N159-E162 PolarHBondContact ND2-OE1 2.83Å; N159-E162 PolarHBondContact O-N 3.24Å
163Y59.3Low67.7Low105 Ų10596.4 Ų96.441%0.41247%0.466SS..SBendtrans-105125.4-178-62.3-82.8000111.8Y158 N159 K165Y158-Y163 AromaticContact CD2-CD2 4Å; Y158-Y163 HydrophobicContact CD2-CD2 4Å; Y158-Y163 HydrophobicContact CD2-CG 4.14Å; Y158-Y163 HydrophobicContact CE2-CD2 4.33Å; Y158-Y163 HydrophobicContact CE2-CG 4.12Å; N159-Y163 WeakPolarHBondContact O-CD2 3.41Å; N159-Y163 PolarHBondContact O-N 2.71Å; Y163-K165 PolarHBondContact O-N 2.7Å
164Y64.5Low69.6Low99 Ų9988.2 Ų88.239%0.38843%0.43SS..  trans-65.2130.2167.667.7-92.4000109.7N166 P281 V366Y164-N166 HydrophobicContact CD2-CB 4.08Å; Y164-N166 HydrophobicContact CE2-CB 3.82Å; Y164-N166 PolarHBondContact O-N 3.39Å; Y164-P281 HydrophobicContact CD2-CG 3.58Å; Y164-P281 HydrophobicContact CE2-CG 4.15Å; Y164-P281 HydrophobicContact CG-CG 3.92Å; Y164-V366 WeakPolarHBondContact OH-CG2 3.3Å
165K70.6Confident71.5Confident115 Ų11582.7 Ų82.750%0.540%0.402SS..  trans-58.7130.4176.1-173.7177.7174.6167.70110.1Y163 D237Y163-K165 PolarHBondContact O-N 2.7Å; K165-D237 WeakPolarHBondContact CE-OD1 3.11Å; K165-D237 VanDerWaalsContact O-CB 3.31Å; K165-D237 WeakPolarHBondContact O-CB 3.44Å
166N77.3Confident73.5Confident34 Ų3479.4 Ų79.418%0.18238%0.38CS..  trans-151.844.7172.9-158.624.5000111.4Y164 K171 Y207 S238Y164-N166 HydrophobicContact CD2-CB 4.08Å; Y164-N166 HydrophobicContact CE2-CB 3.82Å; Y164-N166 PolarHBondContact O-N 3.39Å; N166-K171 PolarHBondContact O-NZ 3.12Å; N166-Y207 PolarHBondContact ND2-OH 3.13Å; N166-S238 PolarHBondContact OD1-OG 3.19Å
167S77.3Confident75.5Confident69 Ų6969.4 Ų69.448%0.48333%0.333SS..  trans-107.8-11.6-168.855.80000114.4D237S167-D237 PolarHBondContact N-OD2 2.84Å
168S84.8Confident77.4Confident21 Ų2164 Ų6415%0.14731%0.305CS..SBendtrans-53.4156.5172.948.50000113.5P170 K171 D237S168-P170 VanDerWaalsContact C-C 3.45Å; S168-P170 CarbonylContact C-O 3.46Å; S168-P170 VanDerWaalsContact C-O 3.26Å; S168-P170 WeakPolarHBondContact CB-O 3.42Å; S168-P170 CarbonylContact O-C 3.49Å; S168-P170 VanDerWaalsContact O-C 3.28Å; S168-P170 PolarHBondContact OG-O 3.33Å; S168-K171 WeakPolarHBondContact O-CA 3.3Å; S168-K171 PolarHBondContact O-N 3.25Å; S168-K171 WeakPolarHBondContact OG-CA 3.48Å; S168-K171 PolarHBondContact OG-O 2.91Å; S168-D237 WeakPolarHBondContact CB-OD2 3.41Å; S168-D237 PolarHBondContact N-OD2 3.21Å; S168-D237 PolarHBondContact OG-N 2.91Å; S168-D237 PolarHBondContact OG-OD2 3.22Å
169R85.5Confident79.4Confident244 Ų24460.3 Ų60.392%0.92129%0.29SS*.SBendtrans-130.6103.8178.1-64.2-171.7-177.8-158.91.7108.7
170P90.4Very high80.9Confident50 Ų5059 Ų5933%0.32528%0.282SS..SBendcis-67.2157.6-2.132-37.5000113S168 G172 G206 V208S168-P170 VanDerWaalsContact C-C 3.45Å; S168-P170 CarbonylContact C-O 3.46Å; S168-P170 VanDerWaalsContact C-O 3.26Å; S168-P170 WeakPolarHBondContact CB-O 3.42Å; S168-P170 CarbonylContact O-C 3.49Å; S168-P170 VanDerWaalsContact O-C 3.28Å; S168-P170 PolarHBondContact OG-O 3.33Å; P170-G172 PolarHBondContact O-N 2.84Å; P170-G206 WeakPolarHBondContact CA-O 3.49Å; P170-G206 WeakPolarHBondContact CB-O 3.11Å; P170-V208 HydrophobicContact CB-CG2 3.74Å; P170-V208 HydrophobicContact CG-CG2 3.75Å
171K88.5Confident82.6Confident64 Ų6459.1 Ų59.128%0.27828%0.276SS..  trans-64.5-31.9177-69.9-166.4-176.7-63.90112.8N166 S168 L205 G206 Y207 D237 S238N166-K171 PolarHBondContact O-NZ 3.12Å; S168-K171 WeakPolarHBondContact O-CA 3.3Å; S168-K171 PolarHBondContact O-N 3.25Å; S168-K171 WeakPolarHBondContact OG-CA 3.48Å; S168-K171 PolarHBondContact OG-O 2.91Å; K171-L205 WeakPolarHBondContact CD-O 3.39Å; K171-L205 WeakPolarHBondContact CE-O 3.4Å; K171-G206 PolarHBondContact N-O 3.13Å; K171-Y207 HydrophobicContact CB-CD2 4.46Å; K171-Y207 HydrophobicContact CB-CE1 4.37Å; K171-Y207 HydrophobicContact CB-CE2 4.15Å; K171-Y207 HydrophobicContact CD-CE2 4.23Å; K171-D237 PolarHBondContact O-N 2.95Å; K171-S238 PolarHBondContact O-N 3Å; K171-S238 VanDerWaalsContact O-N 3.08Å; K171-S238 PolarHBondContact O-OG 3.42Å
172G91.8Very high84.3Confident0 Ų055.2 Ų55.20%025%0.246CC..EExtended strand (participates in β ladder)trans-177.7170.7-169.100000112.6P170 Y207 V208 S238P170-G172 PolarHBondContact O-N 2.84Å; G172-Y207 VanDerWaalsContact C-CD1 3.48Å; G172-Y207 VanDerWaalsContact CA-CD1 3.5Å; G172-Y207 VanDerWaalsContact O-CA 3.31Å; G172-Y207 WeakPolarHBondContact O-CA 3.48Å; G172-V208 PolarHBondContact O-N 2.81Å; G172-S238 WeakPolarHBondContact CA-O 3.49Å
173L95.3Very high86Confident0 Ų058.5 Ų58.50%025%0.252CS..EExtended strand (participates in β ladder)trans-94.7140.9163.7-54.4-172.2000109.4V208 F227 E230 E232 V240L173-V208 HydrophobicContact CD2-CB 3.84Å; L173-V208 HydrophobicContact CD2-CG1 4.27Å; L173-F227 HydrophobicContact CB-CE2 3.51Å; L173-F227 HydrophobicContact CB-CZ 3.72Å; L173-F227 HydrophobicContact CD1-CD2 4.43Å; L173-F227 HydrophobicContact CD1-CE2 4.03Å; L173-F227 HydrophobicContact CG-CE2 4.46Å; L173-E230 HydrophobicContact CD1-CB 3.71Å; L173-E230 HydrophobicContact CD1-CG 3.94Å; L173-E232 HydrophobicContact CD1-CB 4.15Å; L173-E232 HydrophobicContact CD2-CB 4.12Å; L173-E232 WeakPolarHBondContact CD2-OE2 3.46Å; L173-E232 HydrophobicContact CG-CB 4.4Å; L173-V240 PolarHBondContact O-N 2.96Å
174A95.6Very high86.8Confident0 Ų057.6 Ų57.60%028%0.275CS..EExtended strand (participates in β ladder)trans-121.9109.2175.100000110.4F202 Y207 V208 V209 K210 V240A174-F202 HydrophobicContact CB-CB 4.15Å; A174-F202 HydrophobicContact CB-CG 4.32Å; A174-Y207 HydrophobicContact CB-CD1 4.34Å; A174-Y207 HydrophobicContact CB-CG 4.35Å; A174-V208 PolarHBondContact N-O 3Å; A174-V209 HydrophobicContact CB-CG2 4.23Å; A174-V209 CarbonylContact O-C 3.48Å; A174-V209 WeakPolarHBondContact O-CA 3.38Å; A174-K210 PolarHBondContact O-N 3.08Å; A174-V240 CarbonylContact C-O 3.51Å; A174-V240 WeakPolarHBondContact CA-O 3.35Å; A174-V240 HydrophobicContact CB-CB 3.96Å
175L96.7Very high87.3Confident3 Ų355.4 Ų55.42%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-87.9126.7174.8175.760.6000109.7I177 K210 K212 T223 M224 F227 V240 V241 V242L175-I177 HydrophobicContact CD1-CG1 4.31Å; L175-I177 HydrophobicContact CD2-CD1 4.3Å; L175-I177 HydrophobicContact CD2-CG1 4.39Å; L175-I177 HydrophobicContact CG-CG1 4.16Å; L175-K210 WeakPolarHBondContact CA-O 3.3Å; L175-K210 WeakPolarHBondContact CD1-O 3.3Å; L175-K212 HydrophobicContact CD1-CG 4.22Å; L175-T223 HydrophobicContact CD1-CG2 3.71Å; L175-T223 HydrophobicContact CD2-CG2 4.01Å; L175-M224 HydrophobicContact CD2-SD 3.5Å; L175-M224 VanDerWaalsContact CD2-SD 3.5Å; L175-F227 HydrophobicContact CB-CD1 4.28Å; L175-F227 HydrophobicContact CB-CD2 3.94Å; L175-F227 HydrophobicContact CB-CE1 4.05Å; L175-F227 HydrophobicContact CB-CE2 3.66Å; L175-F227 HydrophobicContact CB-CG 4.24Å; L175-F227 HydrophobicContact CB-CZ 3.73Å; L175-F227 HydrophobicContact CD2-CB 4.1Å; L175-F227 HydrophobicContact CD2-CD1 4.09Å; L175-F227 HydrophobicContact CD2-CD2 4.33Å; L175-F227 HydrophobicContact CD2-CG 3.94Å; L175-V240 PolarHBondContact N-O 3.26Å; L175-V241 HydrophobicContact CB-CG2 4.46Å; L175-V241 HydrophobicContact CD2-CG1 4.45Å; L175-V241 CarbonylContact O-C 3.34Å; L175-V241 WeakPolarHBondContact O-CA 3.5Å; L175-V242 PolarHBondContact O-N 3.47Å
176I96.4Very high87.5Confident0 Ų054.3 Ų54.30%027%0.274CS..EExtended strand (participates in β ladder)trans-118.2113.1172.5-56.9177.4000108.6L198 Q199 V209 K210 A211 K212 V242I176-L198 HydrophobicContact CD1-CB 3.89Å; I176-Q199 HydrophobicContact CD1-CG 3.78Å; I176-V209 HydrophobicContact CD1-CG1 3.58Å; I176-V209 HydrophobicContact CG1-CG1 4.07Å; I176-K210 PolarHBondContact N-O 3.18Å; I176-A211 HydrophobicContact CB-CB 4.4Å; I176-A211 CarbonylContact O-C 3.43Å; I176-A211 WeakPolarHBondContact O-CA 3.22Å; I176-K212 PolarHBondContact O-N 3.28Å; I176-V242 CarbonylContact C-O 3.59Å; I176-V242 WeakPolarHBondContact CA-O 3.38Å; I176-V242 HydrophobicContact CG1-CB 4.21Å; I176-V242 HydrophobicContact CG1-CG2 4.24Å; I176-V242 HydrophobicContact CG2-CB 4.43Å
177I95.5Very high87.7Confident0 Ų056.3 Ų56.30%029%0.287CS..EExtended strand (participates in β ladder)trans-97.1105.6172.2-59.8176.8000107.9L175 L215 M220 M224 V242 I243 L244L175-I177 HydrophobicContact CD1-CG1 4.31Å; L175-I177 HydrophobicContact CD2-CD1 4.3Å; L175-I177 HydrophobicContact CD2-CG1 4.39Å; L175-I177 HydrophobicContact CG-CG1 4.16Å; I177-L215 HydrophobicContact CD1-CD1 4.3Å; I177-L215 HydrophobicContact CG1-CD1 4.14Å; I177-L215 HydrophobicContact CG2-CB 4.43Å; I177-L215 HydrophobicContact CG2-CD1 4.05Å; I177-L215 HydrophobicContact CG2-CG 4.37Å; I177-M220 HydrophobicContact CD1-CG 4.48Å; I177-M220 HydrophobicContact CG2-CE 4.3Å; I177-M220 HydrophobicContact CG2-CG 4.26Å; I177-M220 HydrophobicContact CG2-SD 4.49Å; I177-M224 HydrophobicContact CD1-SD 4.46Å; I177-V242 PolarHBondContact N-O 3.23Å; I177-I243 HydrophobicContact CB-CG2 4.17Å; I177-I243 HydrophobicContact CG2-CG2 4.29Å; I177-L244 PolarHBondContact O-N 3.49Å
178N94.7Very high87.6Confident6 Ų653 Ų533%0.03226%0.264CS..EExtended strand (participates in β ladder)trans-107.194.7-179.7179.127.9000111.1T191 D192 C195 K212 R213 D214 L244N178-T191 WeakPolarHBondContact OD1-CB 3.5Å; N178-T191 WeakPolarHBondContact OD1-CG2 3.3Å; N178-T191 PolarHBondContact OD1-OG1 3.3Å; N178-D192 PolarHBondContact ND2-OD1 3.4Å; N178-C195 HydrophobicContact CB-CB 4.26Å; N178-K212 PolarHBondContact N-O 3.43Å; N178-R213 VanDerWaalsContact O-CA 3.3Å; N178-R213 WeakPolarHBondContact O-CA 3.43Å; N178-D214 PolarHBondContact O-N 3.49Å; N178-L244 HydrophobicContact CB-CD1 4.46Å
179N91.9Very high86.9Confident0 Ų055 Ų550%028%0.277CS..  trans-90.9104.9174.6-68.8-8.4000109.1F182 R188 L215 L244 Y253N179-F182 HydrophobicContact CB-CE1 3.89Å; N179-F182 HydrophobicContact CB-CE2 4.09Å; N179-F182 HydrophobicContact CB-CZ 3.4Å; N179-F182 WeakPolarHBondContact O-CE2 3.22Å; N179-F182 WeakPolarHBondContact O-CZ 3.39Å; N179-R188 WeakPolarHBondContact O-CD 3.33Å; N179-L215 PolarHBondContact ND2-O 3.33Å; N179-L215 PolarHBondContact OD1-N 2.88Å; N179-L244 PolarHBondContact N-O 2.71Å; N179-Y253 PolarHBondContact ND2-O 2.98Å
180H89.9Confident86.2Confident30 Ų3044 Ų4414%0.13924%0.24CC..  trans-97.6-44.4177.8179.970.7000112.3V187 R188 T191 R213 D214H180-V187 WeakPolarHBondContact CE1-CG1 3.18Å; H180-V187 VanDerWaalsContact NE2-CG1 3.26Å; H180-V187 WeakPolarHBondContact NE2-CG1 3.18Å; H180-V187 WeakPolarHBondContact O-CA 3.42Å; H180-R188 PolarHBondContact ND1-O 3.27Å; H180-R188 VanDerWaalsContact ND1-O 3.14Å; H180-R188 PolarHBondContact O-N 2.89Å; H180-T191 HydrophobicContact CB-CG2 3.54Å; H180-T191 WeakPolarHBondContact ND1-CG2 3.22Å; H180-R213 PolarHBondContact CD2-NH2 2.88Å; H180-D214 WeakPolarHBondContact CA-OD1 3.45Å; H180-D214 WeakPolarHBondContact CB-OD1 3.23Å; H180-D214 PolarHBondContact N-OD1 3.01Å
181R89.2Confident85.8Confident161 Ų16141.6 Ų41.661%0.60823%0.225SC*.  trans-105.3136.2-178.2-57.6-171.6174.3-154.6-0.7110.2D214 S255R181-D214 PolarHBondContact N-OD1 3.09Å; R181-S255 VanDerWaalsContact O-CB 3.28Å; R181-S255 WeakPolarHBondContact O-CB 3.36Å
182F88.4Confident85.7Confident19 Ų1941.4 Ų41.48%0.08323%0.227CC..  trans-134.8138.6-176.4-66.5-95.9000110.4N179 G184 M185 R188 S245 H246 G254 S255N179-F182 HydrophobicContact CB-CE1 3.89Å; N179-F182 HydrophobicContact CB-CE2 4.09Å; N179-F182 HydrophobicContact CB-CZ 3.4Å; N179-F182 WeakPolarHBondContact O-CE2 3.22Å; N179-F182 WeakPolarHBondContact O-CZ 3.39Å; F182-G184 PolarHBondContact O-N 2.88Å; F182-G184 VanDerWaalsContact O-N 3.12Å; F182-M185 HydrophobicContact CB-CB 3.74Å; F182-M185 HydrophobicContact CB-CG 4.3Å; F182-M185 HydrophobicContact CB-SD 4.37Å; F182-M185 HydrophobicContact CD1-SD 4.27Å; F182-M185 HydrophobicContact CG-CB 4.44Å; F182-R188 HydrophobicContact CE2-CB 4.08Å; F182-S245 WeakPolarHBondContact CE1-OG 3.28Å; F182-S245 VanDerWaalsContact CZ-OG 3.28Å; F182-S245 WeakPolarHBondContact CZ-OG 3.39Å; F182-H246 AromaticContact CD2-CD2 3.42Å; F182-H246 VanDerWaalsContact CD2-CD2 3.42Å; F182-H246 WeakPolarHBondContact CD2-CD2 3.26Å; F182-H246 AromaticContact CD2-NE2 3.83Å; F182-H246 HydrophobicContact CE1-CB 4.3Å; F182-H246 AromaticContact CE1-CD2 3.95Å; F182-H246 AromaticContact CE2-CD2 3.33Å; F182-H246 WeakPolarHBondContact CE2-CD2 3.32Å; F182-H246 AromaticContact CE2-NE2 3.86Å; F182-H246 AromaticContact CG-CD2 3.79Å; F182-H246 HydrophobicContact CZ-CB 4.26Å; F182-H246 AromaticContact CZ-CD2 3.6Å; F182-G254 WeakPolarHBondContact CD1-O 3.37Å; F182-S255 CarbonylContact C-O 3.58Å; F182-S255 WeakPolarHBondContact CA-O 3.38Å
183R83.5Confident85.2Confident209 Ų20943.6 Ų43.679%0.78924%0.238SC*.THydrogen-bonded Turntrans-71.7106.5176.6-161.9176.6-164.3172.36110S255R183-S255 PolarHBondContact N-O 3.08Å
184G74.5Confident84.6Confident86 Ų8643.6 Ų43.689%0.88724%0.238SC*.THydrogen-bonded Turntrans81.313.4177.300000115.5F182F182-G184 PolarHBondContact O-N 2.88Å; F182-G184 VanDerWaalsContact O-N 3.12Å
185M76.3Confident84.4Confident53 Ų5344 Ų4426%0.26124%0.241SC..SBendtrans-126.9158.8173.6-53174.967.100111F182 H246 Y253F182-M185 HydrophobicContact CB-CB 3.74Å; F182-M185 HydrophobicContact CB-CG 4.3Å; F182-M185 HydrophobicContact CB-SD 4.37Å; F182-M185 HydrophobicContact CD1-SD 4.27Å; F182-M185 HydrophobicContact CG-CB 4.44Å; M185-H246 HydrophobicContact CE-CB 3.77Å; M185-Y253 HydrophobicContact CE-CD1 4.32Å; M185-Y253 HydrophobicContact CE-CD2 3.63Å; M185-Y253 HydrophobicContact CE-CE1 4.29Å; M185-Y253 HydrophobicContact CE-CE2 3.59Å; M185-Y253 HydrophobicContact CE-CG 4Å; M185-Y253 HydrophobicContact SD-CD1 3.72Å; M185-Y253 HydrophobicContact SD-CD2 4.05Å; M185-Y253 HydrophobicContact SD-CE1 3.93Å; M185-Y253 HydrophobicContact SD-CE2 4.25Å; M185-Y253 HydrophobicContact SD-CG 3.77Å
186P74Confident84.1Confident92 Ų9244.6 Ų44.660%0.59725%0.248SC*.  trans-59147.4176.2-2434.8000113H246P186-H246 PolarHBondContact O-NE2 3.03Å
187V81.1Confident83.7Confident76 Ų7644.6 Ų44.646%0.46125%0.248SC..  trans-62.5140.3174.7175.10000110.6H180 S189H180-V187 WeakPolarHBondContact CE1-CG1 3.18Å; H180-V187 VanDerWaalsContact NE2-CG1 3.26Å; H180-V187 WeakPolarHBondContact NE2-CG1 3.18Å; H180-V187 WeakPolarHBondContact O-CA 3.42Å; V187-S189 VanDerWaalsContact C-N 3.32Å; V187-S189 PolarHBondContact O-N 2.87Å
188R76Confident83.6Confident0 Ų044.6 Ų44.60%025%0.248CC..  trans-82.773.4179.5-162.7-173.1-173.4-83.56.8110.6N179 H180 F182 T191 D194 S245 Q287N179-R188 WeakPolarHBondContact O-CD 3.33Å; H180-R188 PolarHBondContact ND1-O 3.27Å; H180-R188 VanDerWaalsContact ND1-O 3.14Å; H180-R188 PolarHBondContact O-N 2.89Å; F182-R188 HydrophobicContact CE2-CB 4.08Å; R188-T191 HydrophobicContact CB-CG2 4.19Å; R188-T191 WeakPolarHBondContact CD-OG1 3.33Å; R188-T191 HydrophobicContact CG-CG2 4.44Å; R188-T191 PolarHBondContact NH1-OG1 2.85Å; R188-T191 VanDerWaalsContact O-CB 3.23Å; R188-T191 WeakPolarHBondContact O-CB 3.2Å; R188-T191 WeakPolarHBondContact O-CG2 3.47Å; R188-T191 PolarHBondContact O-N 2.68Å; R188-D194 IonicContact NH1-OD2 2.83Å; R188-S245 PolarHBondContact NE-O 2.99Å; R188-Q287 PolarHBondContact NH2-O 3.09Å
189S70.6Confident83.6Confident61 Ų6147.9 Ų47.943%0.42726%0.263SS..THydrogen-bonded Turntrans-52.7139.6176.8-56.70000112.3V187 T191 R341V187-S189 VanDerWaalsContact C-N 3.32Å; V187-S189 PolarHBondContact O-N 2.87Å; S189-T191 VanDerWaalsContact C-N 3.3Å; S189-T191 PolarHBondContact O-N 3.31Å; S189-R341 PolarHBondContact O-NH2 3.08Å
190G70.5Confident83.6Confident14 Ų1450.2 Ų50.214%0.14427%0.271CS..THydrogen-bonded Turntrans82-12.4-176.700000116.3D192 I193 D194G190-D192 VanDerWaalsContact C-N 3.32Å; G190-D192 PolarHBondContact O-N 3.14Å; G190-I193 WeakPolarHBondContact O-CB 3.48Å; G190-I193 PolarHBondContact O-N 3.28Å; G190-D194 PolarHBondContact O-N 3.35Å; G190-D194 VanDerWaalsContact O-N 3.15Å
191T82Confident83.7Confident0 Ų048.8 Ų48.80%027%0.265CS..Hα-helixtrans-65.6-30.1-176.4-159.30000114.7N178 H180 R188 S189 I193 D194 C195N178-T191 WeakPolarHBondContact OD1-CB 3.5Å; N178-T191 WeakPolarHBondContact OD1-CG2 3.3Å; N178-T191 PolarHBondContact OD1-OG1 3.3Å; H180-T191 HydrophobicContact CB-CG2 3.54Å; H180-T191 WeakPolarHBondContact ND1-CG2 3.22Å; R188-T191 HydrophobicContact CB-CG2 4.19Å; R188-T191 WeakPolarHBondContact CD-OG1 3.33Å; R188-T191 HydrophobicContact CG-CG2 4.44Å; R188-T191 PolarHBondContact NH1-OG1 2.85Å; R188-T191 VanDerWaalsContact O-CB 3.23Å; R188-T191 WeakPolarHBondContact O-CB 3.2Å; R188-T191 WeakPolarHBondContact O-CG2 3.47Å; R188-T191 PolarHBondContact O-N 2.68Å; S189-T191 VanDerWaalsContact C-N 3.3Å; S189-T191 PolarHBondContact O-N 3.31Å; T191-I193 VanDerWaalsContact C-N 3.31Å; T191-D194 WeakPolarHBondContact O-CB 3.38Å; T191-D194 PolarHBondContact O-N 3.24Å; T191-C195 WeakPolarHBondContact O-CB 3.35Å; T191-C195 PolarHBondContact O-N 3.35Å
192D86.1Confident83.9Confident60 Ų6041.2 Ų41.232%0.32124%0.236SC..Hα-helixtrans-74-28.7179.9-71.6-6.8000111N178 G190 G196 R213N178-D192 PolarHBondContact ND2-OD1 3.4Å; G190-D192 VanDerWaalsContact C-N 3.32Å; G190-D192 PolarHBondContact O-N 3.14Å; D192-G196 PolarHBondContact O-N 2.85Å; D192-R213 VanDerWaalsContact CG-NH1 3.33Å; D192-R213 IonicContact OD1-CZ 3.51Å; D192-R213 IonicContact OD1-NH1 3.08Å; D192-R213 PolarHBondContact OD1-NH1 2.95Å; D192-R213 IonicContact OD1-NH2 3.84Å; D192-R213 PolarHBondContact OD1-NH2 3.29Å; D192-R213 IonicContact OD2-CZ 3.28Å; D192-R213 IonicContact OD2-NH1 3.7Å; D192-R213 PolarHBondContact OD2-NH1 3.04Å; D192-R213 IonicContact OD2-NH2 3.6Å; D192-R213 PolarHBondContact OD2-NH2 3.08Å
193I80.9Confident84.2Confident46 Ų4644.3 Ų44.324%0.23626%0.257CS..Hα-helixtrans-70.4-47171.6-62.5157.6000109.7D140 G141 G190 T191 C195 G196 N197D140-I193 WeakPolarHBondContact O-CD1 3.48Å; G141-I193 VanDerWaalsContact C-CG2 3.44Å; G141-I193 WeakPolarHBondContact O-CG2 3.5Å; G190-I193 WeakPolarHBondContact O-CB 3.48Å; G190-I193 PolarHBondContact O-N 3.28Å; T191-I193 VanDerWaalsContact C-N 3.31Å; I193-C195 VanDerWaalsContact C-N 3.32Å; I193-C195 PolarHBondContact O-N 2.83Å; I193-G196 PolarHBondContact O-N 2.74Å; I193-N197 VanDerWaalsContact O-CG 3.3Å; I193-N197 PolarHBondContact O-N 3.3Å; I193-N197 PolarHBondContact O-ND2 3.42Å
194D83.8Confident84.6Confident0 Ų037.4 Ų37.40%023%0.233CC..Hα-helixtrans-52.6-51.1171.9-71.7-17.8000110.4R188 G190 T191 G196 N197 L198 L244 G346 S347 I350R188-D194 IonicContact NH1-OD2 2.83Å; G190-D194 PolarHBondContact O-N 3.35Å; G190-D194 VanDerWaalsContact O-N 3.15Å; T191-D194 WeakPolarHBondContact O-CB 3.38Å; T191-D194 PolarHBondContact O-N 3.24Å; D194-G196 PolarHBondContact O-N 2.86Å; D194-N197 PolarHBondContact O-N 3.09Å; D194-L198 WeakPolarHBondContact O-CB 3.36Å; D194-L198 WeakPolarHBondContact O-CD1 3.4Å; D194-L198 VanDerWaalsContact O-CG 3.28Å; D194-L198 WeakPolarHBondContact O-CG 3.38Å; D194-L198 PolarHBondContact O-N 3.21Å; D194-L244 HydrophobicContact CB-CD1 3.87Å; D194-G346 WeakPolarHBondContact OD1-CA 3.45Å; D194-S347 VanDerWaalsContact CG-N 3.32Å; D194-S347 PolarHBondContact OD1-N 3.24Å; D194-S347 PolarHBondContact OD2-N 3.09Å; D194-S347 VanDerWaalsContact OD2-N 3.08Å; D194-I350 HydrophobicContact CB-CB 4.34Å; D194-I350 HydrophobicContact CB-CG1 4.44Å; D194-I350 HydrophobicContact CB-CG2 3.91Å
195C91.3Very high85.3Confident9 Ų934.6 Ų34.66%0.06120%0.198CC..Hα-helixtrans-57.7-48.2177.9-1750000112.1N178 T191 I193 N197 L198 Q199 L244N178-C195 HydrophobicContact CB-CB 4.26Å; T191-C195 WeakPolarHBondContact O-CB 3.35Å; T191-C195 PolarHBondContact O-N 3.35Å; I193-C195 VanDerWaalsContact C-N 3.32Å; I193-C195 PolarHBondContact O-N 2.83Å; C195-N197 VanDerWaalsContact C-N 3.35Å; C195-N197 PolarHBondContact O-N 3.33Å; C195-L198 PolarHBondContact O-N 3.04Å; C195-Q199 WeakPolarHBondContact O-CB 3.38Å; C195-Q199 VanDerWaalsContact O-CG 3.29Å; C195-Q199 WeakPolarHBondContact O-CG 3.35Å; C195-Q199 PolarHBondContact O-N 2.99Å; C195-Q199 PolarHBondContact SG-OE1 3.2Å; C195-Q199 VanDerWaalsContact SG-OE1 3.4Å; C195-L244 HydrophobicContact CB-CD1 4.09Å
196G90.2Very high86Confident15 Ų1533.4 Ų33.416%0.15520%0.2CC..Hα-helixtrans-64.6-35.2179.200000113.7D192 I193 D194 R200D192-G196 PolarHBondContact O-N 2.85Å; I193-G196 PolarHBondContact O-N 2.74Å; D194-G196 PolarHBondContact O-N 2.86Å; G196-R200 WeakPolarHBondContact O-CG 3.47Å; G196-R200 PolarHBondContact O-N 3.37Å; G196-R200 PolarHBondContact O-NE 2.99Å
197N88Confident86.9Confident0 Ų030 Ų300%018%0.175CC..Hα-helixtrans-67.4-46.7173.6-69.3-25.2000111.1G141 L143 I193 D194 C195 R200 L201G141-N197 PolarHBondContact O-ND2 3.49Å; L143-N197 HydrophobicContact CD1-CB 4.41Å; L143-N197 PolarHBondContact N-OD1 2.98Å; I193-N197 VanDerWaalsContact O-CG 3.3Å; I193-N197 PolarHBondContact O-N 3.3Å; I193-N197 PolarHBondContact O-ND2 3.42Å; D194-N197 PolarHBondContact O-N 3.09Å; C195-N197 VanDerWaalsContact C-N 3.35Å; C195-N197 PolarHBondContact O-N 3.33Å; N197-R200 PolarHBondContact O-N 3.08Å; N197-R200 PolarHBondContact OD1-NH2 3.01Å; N197-L201 WeakPolarHBondContact O-CB 3.26Å; N197-L201 PolarHBondContact O-N 3.41Å
198L92.2Very high87.6Confident0 Ų029 Ų290%017%0.169CC..Hα-helixtrans-64.5-40.8177.8-70.8159.2000113.1I176 D194 C195 R200 L201 F202 V242 L244 I350I176-L198 HydrophobicContact CD1-CB 3.89Å; D194-L198 WeakPolarHBondContact O-CB 3.36Å; D194-L198 WeakPolarHBondContact O-CD1 3.4Å; D194-L198 VanDerWaalsContact O-CG 3.28Å; D194-L198 WeakPolarHBondContact O-CG 3.38Å; D194-L198 PolarHBondContact O-N 3.21Å; C195-L198 PolarHBondContact O-N 3.04Å; L198-R200 VanDerWaalsContact C-N 3.34Å; L198-R200 PolarHBondContact O-N 3.1Å; L198-L201 PolarHBondContact O-N 3.06Å; L198-F202 HydrophobicContact CD2-CE2 3.87Å; L198-F202 WeakPolarHBondContact O-CD2 3.07Å; L198-F202 PolarHBondContact O-N 3.09Å; L198-V242 HydrophobicContact CD1-CG1 3.69Å; L198-V242 HydrophobicContact CD2-CG1 4.48Å; L198-V242 HydrophobicContact CD2-CG2 4.48Å; L198-L244 HydrophobicContact CD1-CD1 4.01Å; L198-L244 HydrophobicContact CD1-CD2 4.08Å; L198-L244 HydrophobicContact CD1-CG 4.45Å; L198-I350 HydrophobicContact CD1-CD1 4.17Å; L198-I350 HydrophobicContact CD1-CG1 4.5Å; L198-I350 HydrophobicContact CD1-CG2 3.68Å; L198-I350 HydrophobicContact CD2-CD1 4.43Å; L198-I350 HydrophobicContact CD2-CG2 3.99Å; L198-I350 HydrophobicContact CG-CG2 3.63Å
199Q94.2Very high88.5Confident74 Ų7430.5 Ų30.535%0.34618%0.178SC..Hα-helixtrans-59.9-45.3175.5-76.7177.5-74.700111.1I176 C195 T203 V209 A211I176-Q199 HydrophobicContact CD1-CG 3.78Å; C195-Q199 WeakPolarHBondContact O-CB 3.38Å; C195-Q199 VanDerWaalsContact O-CG 3.29Å; C195-Q199 WeakPolarHBondContact O-CG 3.35Å; C195-Q199 PolarHBondContact O-N 2.99Å; C195-Q199 PolarHBondContact SG-OE1 3.2Å; C195-Q199 VanDerWaalsContact SG-OE1 3.4Å; Q199-T203 VanDerWaalsContact O-CB 3.23Å; Q199-T203 WeakPolarHBondContact O-CB 3.15Å; Q199-T203 PolarHBondContact O-N 3.01Å; Q199-T203 VanDerWaalsContact O-N 3.11Å; Q199-T203 PolarHBondContact O-OG1 3Å; Q199-V209 HydrophobicContact CG-CG1 4.04Å; Q199-A211 HydrophobicContact CG-CB 4.47Å
200R92.2Very high89.7Confident49 Ų4930 Ų3019%0.18517%0.168CC..Hα-helixtrans-64.3-45.6176.2-71.8-174-65.4154.3-0111.7Y142 L143 L146 G196 N197 L198 Q204Y142-R200 VanDerWaalsContact CE1-CZ 3.42Å; Y142-R200 VanDerWaalsContact CE1-NH1 3.34Å; Y142-R200 WeakPolarHBondContact OH-CD 3.05Å; Y142-R200 PolarHBondContact OH-NE 3.25Å; L143-R200 VanDerWaalsContact O-CZ 3.27Å; L143-R200 PolarHBondContact O-NH1 3.18Å; L143-R200 PolarHBondContact O-NH2 3.43Å; L146-R200 HydrophobicContact CD2-CB 3.77Å; G196-R200 WeakPolarHBondContact O-CG 3.47Å; G196-R200 PolarHBondContact O-N 3.37Å; G196-R200 PolarHBondContact O-NE 2.99Å; N197-R200 PolarHBondContact O-N 3.08Å; N197-R200 PolarHBondContact OD1-NH2 3.01Å; L198-R200 VanDerWaalsContact C-N 3.34Å; L198-R200 PolarHBondContact O-N 3.1Å; R200-Q204 WeakPolarHBondContact O-CB 3.46Å; R200-Q204 VanDerWaalsContact O-CG 3.28Å; R200-Q204 WeakPolarHBondContact O-CG 3.01Å; R200-Q204 PolarHBondContact O-N 2.98Å
201L92.6Very high90.9Very high0 Ų031.1 Ų31.10%018%0.177CC..Hα-helixtrans-55.5-59.9177.7-178.972.6000112.2L146 V148 N197 L198 T203 Q204 L205 I353 F357L146-L201 HydrophobicContact CD2-CB 4.26Å; V148-L201 HydrophobicContact CG2-CD1 4.2Å; N197-L201 WeakPolarHBondContact O-CB 3.26Å; N197-L201 PolarHBondContact O-N 3.41Å; L198-L201 PolarHBondContact O-N 3.06Å; L201-T203 VanDerWaalsContact C-N 3.35Å; L201-T203 PolarHBondContact O-N 3.47Å; L201-Q204 PolarHBondContact O-N 3.48Å; L201-L205 HydrophobicContact CD1-CD1 4.16Å; L201-L205 HydrophobicContact CG-CD1 3.93Å; L201-L205 WeakPolarHBondContact O-CG 3.09Å; L201-L205 PolarHBondContact O-N 2.36Å; L201-I353 HydrophobicContact CD2-CG2 4.1Å; L201-F357 HydrophobicContact CD1-CB 3.84Å; L201-F357 HydrophobicContact CD2-CB 4.01Å; L201-F357 HydrophobicContact CG-CB 4.41Å
202F93.5Very high91.6Very high3 Ų336 Ų361%0.01320%0.197CC..Hα-helixtrans-69.7-31.4-174.1-73.1-63.3000112.9A174 L198 L205 G206 Y207 V209 V240 V242 F285A174-F202 HydrophobicContact CB-CB 4.15Å; A174-F202 HydrophobicContact CB-CG 4.32Å; L198-F202 HydrophobicContact CD2-CE2 3.87Å; L198-F202 WeakPolarHBondContact O-CD2 3.07Å; L198-F202 PolarHBondContact O-N 3.09Å; F202-L205 HydrophobicContact CD1-CD1 4.15Å; F202-L205 HydrophobicContact CE1-CD1 4.39Å; F202-L205 PolarHBondContact O-N 2.34Å; F202-G206 PolarHBondContact O-N 2.69Å; F202-Y207 HydrophobicContact CD1-CD2 4.08Å; F202-Y207 HydrophobicContact CD1-CE2 4.42Å; F202-Y207 HydrophobicContact CD1-CG 4.47Å; F202-Y207 WeakPolarHBondContact O-CB 3.1Å; F202-Y207 PolarHBondContact O-N 3.22Å; F202-V209 HydrophobicContact CB-CG2 3.75Å; F202-V240 HydrophobicContact CD1-CG1 4.43Å; F202-V240 HydrophobicContact CD1-CG2 4.29Å; F202-V240 HydrophobicContact CE1-CB 4.47Å; F202-V240 HydrophobicContact CE1-CG1 3.87Å; F202-V240 HydrophobicContact CE1-CG2 4Å; F202-V240 HydrophobicContact CE2-CG1 4.04Å; F202-V240 HydrophobicContact CZ-CG1 3.67Å; F202-V242 HydrophobicContact CE2-CG2 3.87Å; F202-F285 HydrophobicContact CZ-CD2 4.32Å; F202-F285 AromaticContact CZ-CE2 3.85Å; F202-F285 HydrophobicContact CZ-CE2 3.85Å; F202-F285 HydrophobicContact CZ-CZ 4.48Å
203T93.6Very high92Very high84 Ų8438.7 Ų38.752%0.51520%0.203SC..Hα-helixtrans-64-45.9172.4-56.40000111Q199 L201 L205 G206 V209Q199-T203 VanDerWaalsContact O-CB 3.23Å; Q199-T203 WeakPolarHBondContact O-CB 3.15Å; Q199-T203 PolarHBondContact O-N 3.01Å; Q199-T203 VanDerWaalsContact O-N 3.11Å; Q199-T203 PolarHBondContact O-OG1 3Å; L201-T203 VanDerWaalsContact C-N 3.35Å; L201-T203 PolarHBondContact O-N 3.47Å; T203-L205 VanDerWaalsContact C-N 3.34Å; T203-L205 PolarHBondContact O-N 3.22Å; T203-G206 PolarHBondContact O-N 2.73Å; T203-V209 WeakPolarHBondContact OG1-CG2 3.26Å
204Q92Very high92.7Very high63 Ų6338.4 Ų38.429%0.29420%0.202SC..Hα-helixtrans-68.2-31.1178.5-72.6-176.653.700113.2L146 V148 R200 L201 G206L146-Q204 PolarHBondContact O-NE2 3.13Å; V148-Q204 HydrophobicContact CB-CB 3.85Å; V148-Q204 HydrophobicContact CG2-CB 3.41Å; V148-Q204 VanDerWaalsContact CG2-CB 3.41Å; V148-Q204 HydrophobicContact CG2-CG 4.37Å; R200-Q204 WeakPolarHBondContact O-CB 3.46Å; R200-Q204 VanDerWaalsContact O-CG 3.28Å; R200-Q204 WeakPolarHBondContact O-CG 3.01Å; R200-Q204 PolarHBondContact O-N 2.98Å; L201-Q204 PolarHBondContact O-N 3.48Å; Q204-G206 PolarHBondContact O-N 2.85Å
205L89.6Confident93.2Very high27 Ų2739.4 Ų39.414%0.14121%0.207CC..Hα-helixtrans-70.9-12.4170.3-71.2168.4000113.6V148 K171 L201 F202 T203 Y207 A361V148-L205 HydrophobicContact CG1-CD2 3.7Å; V148-L205 HydrophobicContact CG1-CG 4.26Å; V148-L205 HydrophobicContact CG2-CG 4.39Å; K171-L205 WeakPolarHBondContact CD-O 3.39Å; K171-L205 WeakPolarHBondContact CE-O 3.4Å; L201-L205 HydrophobicContact CD1-CD1 4.16Å; L201-L205 HydrophobicContact CG-CD1 3.93Å; L201-L205 WeakPolarHBondContact O-CG 3.09Å; L201-L205 PolarHBondContact O-N 2.36Å; F202-L205 HydrophobicContact CD1-CD1 4.15Å; F202-L205 HydrophobicContact CE1-CD1 4.39Å; F202-L205 PolarHBondContact O-N 2.34Å; T203-L205 VanDerWaalsContact C-N 3.34Å; T203-L205 PolarHBondContact O-N 3.22Å; L205-Y207 HydrophobicContact CB-CD2 4.02Å; L205-Y207 HydrophobicContact CB-CE2 4.19Å; L205-A361 HydrophobicContact CD2-CB 3.85Å
206G90.5Very high93.3Very high29 Ų2940.8 Ų40.830%0.29922%0.216SC..THydrogen-bonded Turntrans96.723.9175.500000115.8P170 K171 F202 T203 Q204P170-G206 WeakPolarHBondContact CA-O 3.49Å; P170-G206 WeakPolarHBondContact CB-O 3.11Å; K171-G206 PolarHBondContact N-O 3.13Å; F202-G206 PolarHBondContact O-N 2.69Å; T203-G206 PolarHBondContact O-N 2.73Å; Q204-G206 PolarHBondContact O-N 2.85Å
207Y93.5Very high93.3Very high20 Ų2040.8 Ų40.88%0.07821%0.213CC..EExtended strand (participates in β ladder)trans-92.7148.5172.1-68.8-100.8000111.7N166 K171 G172 A174 F202 L205 V209 S238 V240N166-Y207 PolarHBondContact ND2-OH 3.13Å; K171-Y207 HydrophobicContact CB-CD2 4.46Å; K171-Y207 HydrophobicContact CB-CE1 4.37Å; K171-Y207 HydrophobicContact CB-CE2 4.15Å; K171-Y207 HydrophobicContact CD-CE2 4.23Å; G172-Y207 VanDerWaalsContact C-CD1 3.48Å; G172-Y207 VanDerWaalsContact CA-CD1 3.5Å; G172-Y207 VanDerWaalsContact O-CA 3.31Å; G172-Y207 WeakPolarHBondContact O-CA 3.48Å; A174-Y207 HydrophobicContact CB-CD1 4.34Å; A174-Y207 HydrophobicContact CB-CG 4.35Å; F202-Y207 HydrophobicContact CD1-CD2 4.08Å; F202-Y207 HydrophobicContact CD1-CE2 4.42Å; F202-Y207 HydrophobicContact CD1-CG 4.47Å; F202-Y207 WeakPolarHBondContact O-CB 3.1Å; F202-Y207 PolarHBondContact O-N 3.22Å; L205-Y207 HydrophobicContact CB-CD2 4.02Å; L205-Y207 HydrophobicContact CB-CE2 4.19Å; Y207-V209 PolarHBondContact O-N 3.07Å; Y207-S238 VanDerWaalsContact CE1-OG 3.31Å; Y207-S238 WeakPolarHBondContact CE1-OG 3.43Å; Y207-S238 PolarHBondContact OH-OG 3.34Å; Y207-V240 HydrophobicContact CD1-CG2 3.96Å; Y207-V240 HydrophobicContact CE1-CG2 3.62Å
208V95.6Very high93.5Very high55 Ų5546.9 Ų46.933%0.33324%0.239SC..EExtended strand (participates in β ladder)trans-81.6107.3166.4174.60000108.5P170 G172 L173 A174P170-V208 HydrophobicContact CB-CG2 3.74Å; P170-V208 HydrophobicContact CG-CG2 3.75Å; G172-V208 PolarHBondContact O-N 2.81Å; L173-V208 HydrophobicContact CD2-CB 3.84Å; L173-V208 HydrophobicContact CD2-CG1 4.27Å; A174-V208 PolarHBondContact N-O 3Å
209V95.9Very high93.6Very high32 Ų3249.7 Ų49.719%0.19425%0.254CS..EExtended strand (participates in β ladder)trans-87.8113.3-175-171.10000111.5A174 I176 Q199 F202 T203 Y207A174-V209 HydrophobicContact CB-CG2 4.23Å; A174-V209 CarbonylContact O-C 3.48Å; A174-V209 WeakPolarHBondContact O-CA 3.38Å; I176-V209 HydrophobicContact CD1-CG1 3.58Å; I176-V209 HydrophobicContact CG1-CG1 4.07Å; Q199-V209 HydrophobicContact CG-CG1 4.04Å; F202-V209 HydrophobicContact CB-CG2 3.75Å; T203-V209 WeakPolarHBondContact OG1-CG2 3.26Å; Y207-V209 PolarHBondContact O-N 3.07Å
210K95.9Very high93.6Very high49 Ų4946.1 Ų46.121%0.21324%0.238CC..EExtended strand (participates in β ladder)trans-101.392.6174.2-67.6176.6-178.3172.20108.6A174 L175 I176 E230 E232A174-K210 PolarHBondContact O-N 3.08Å; L175-K210 WeakPolarHBondContact CA-O 3.3Å; L175-K210 WeakPolarHBondContact CD1-O 3.3Å; I176-K210 PolarHBondContact N-O 3.18Å; K210-E230 IonicContact NZ-OE1 3.81Å; K210-E230 PolarHBondContact NZ-OE1 3.45Å; K210-E230 IonicContact NZ-OE2 3.71Å; K210-E232 IonicContact NZ-OE2 3.35Å; K210-E232 PolarHBondContact NZ-OE2 2.97Å
211A95.5Very high93.5Very high39 Ų3945.8 Ų45.832%0.32224%0.239SC..EExtended strand (participates in β ladder)trans-85.2139.417600000111.9I176 Q199I176-A211 HydrophobicContact CB-CB 4.4Å; I176-A211 CarbonylContact O-C 3.43Å; I176-A211 WeakPolarHBondContact O-CA 3.22Å; Q199-A211 HydrophobicContact CG-CB 4.47Å
212K96.5Very high93.6Very high101 Ų10148.5 Ų48.544%0.43925%0.252SS..EExtended strand (participates in β ladder)trans-131.2143.2175.6-62.2-63.1-178.4-175.10109.2L175 I176 N178 L215 T223L175-K212 HydrophobicContact CD1-CG 4.22Å; I176-K212 PolarHBondContact O-N 3.28Å; N178-K212 PolarHBondContact N-O 3.43Å; K212-L215 HydrophobicContact CB-CD1 3.75Å; K212-L215 HydrophobicContact CB-CD2 4.07Å; K212-L215 HydrophobicContact CB-CG 3.94Å; K212-L215 HydrophobicContact CG-CD1 4.3Å; K212-T223 HydrophobicContact CG-CG2 4.02Å
213R94.8Very high93.6Very high118 Ų11849.3 Ų49.345%0.44526%0.257SS..EExtended strand (participates in β ladder)trans-122.8139.7-173.2-174.3177.7-179.5125.316.5110.9N178 H180 D192 L215N178-R213 VanDerWaalsContact O-CA 3.3Å; N178-R213 WeakPolarHBondContact O-CA 3.43Å; H180-R213 PolarHBondContact CD2-NH2 2.88Å; D192-R213 VanDerWaalsContact CG-NH1 3.33Å; D192-R213 IonicContact OD1-CZ 3.51Å; D192-R213 IonicContact OD1-NH1 3.08Å; D192-R213 PolarHBondContact OD1-NH1 2.95Å; D192-R213 IonicContact OD1-NH2 3.84Å; D192-R213 PolarHBondContact OD1-NH2 3.29Å; D192-R213 IonicContact OD2-CZ 3.28Å; D192-R213 IonicContact OD2-NH1 3.7Å; D192-R213 PolarHBondContact OD2-NH1 3.04Å; D192-R213 IonicContact OD2-NH2 3.6Å; D192-R213 PolarHBondContact OD2-NH2 3.08Å; R213-L215 VanDerWaalsContact C-N 3.32Å; R213-L215 PolarHBondContact O-N 3.17Å
214D94.1Very high93.7Very high40 Ų4045.3 Ų45.321%0.21423%0.232CC..SBendtrans51.444.7170.5-60-32.1000113.9N178 H180 R181 S255N178-D214 PolarHBondContact O-N 3.49Å; H180-D214 WeakPolarHBondContact CA-OD1 3.45Å; H180-D214 WeakPolarHBondContact CB-OD1 3.23Å; H180-D214 PolarHBondContact N-OD1 3.01Å; R181-D214 PolarHBondContact N-OD1 3.09Å; D214-S255 VanDerWaalsContact C-CB 3.48Å; D214-S255 WeakPolarHBondContact O-CB 3.42Å; D214-S255 PolarHBondContact O-OG 2.96Å
215L95.3Very high93.6Very high20 Ų2045.7 Ų45.711%0.10524%0.236CC..  trans-74.1133-178.6-66.1-170000112.2I177 N179 K212 R213 D219 M220 T223 S255I177-L215 HydrophobicContact CD1-CD1 4.3Å; I177-L215 HydrophobicContact CG1-CD1 4.14Å; I177-L215 HydrophobicContact CG2-CB 4.43Å; I177-L215 HydrophobicContact CG2-CD1 4.05Å; I177-L215 HydrophobicContact CG2-CG 4.37Å; N179-L215 PolarHBondContact ND2-O 3.33Å; N179-L215 PolarHBondContact OD1-N 2.88Å; K212-L215 HydrophobicContact CB-CD1 3.75Å; K212-L215 HydrophobicContact CB-CD2 4.07Å; K212-L215 HydrophobicContact CB-CG 3.94Å; K212-L215 HydrophobicContact CG-CD1 4.3Å; R213-L215 VanDerWaalsContact C-N 3.32Å; R213-L215 PolarHBondContact O-N 3.17Å; L215-D219 HydrophobicContact CB-CB 4.12Å; L215-D219 HydrophobicContact CD2-CB 4Å; L215-M220 HydrophobicContact CB-CG 3.6Å; L215-M220 HydrophobicContact CD1-CG 4.17Å; L215-T223 HydrophobicContact CD1-CG2 4.11Å; L215-T223 WeakPolarHBondContact CD1-OG1 3.29Å; L215-S255 PolarHBondContact O-N 3.42Å; L215-S255 PolarHBondContact O-OG 3.25Å
216T94.2Very high93.8Very high38 Ų3850.2 Ų50.223%0.23326%0.255CS..  trans-68.8165.317074.60000110.4K218 D219 M220 S255 D256T216-K218 PolarHBondContact O-N 3Å; T216-K218 PolarHBondContact OG1-N 3.24Å; T216-D219 VanDerWaalsContact CB-OD2 3.23Å; T216-D219 WeakPolarHBondContact CB-OD2 3.44Å; T216-D219 VanDerWaalsContact CG2-OD2 3.26Å; T216-D219 WeakPolarHBondContact CG2-OD2 3.41Å; T216-D219 PolarHBondContact N-OD2 3.43Å; T216-D219 VanDerWaalsContact N-OD2 3.09Å; T216-D219 CarbonylContact O-C 3.57Å; T216-D219 PolarHBondContact O-N 2.92Å; T216-D219 PolarHBondContact OG1-N 3.45Å; T216-D219 PolarHBondContact OG1-OD2 2.81Å; T216-M220 WeakPolarHBondContact O-CG 3.27Å; T216-M220 PolarHBondContact O-N 3.34Å; T216-S255 PolarHBondContact N-OG 3.4Å; T216-S255 VanDerWaalsContact N-OG 3.17Å; T216-D256 HydrophobicContact CG2-CB 3.9Å
217T89.7Confident94Very high15 Ų1549.1 Ų49.19%0.09224%0.242CC..Hα-helixtrans-55.7-35.1176.8-59.50000112.8I221 D256 K258 I260T217-I221 WeakPolarHBondContact O-CG1 3.22Å; T217-I221 PolarHBondContact O-N 3.43Å; T217-D256 WeakPolarHBondContact CB-OD1 3.43Å; T217-D256 PolarHBondContact N-OD1 3.46Å; T217-D256 PolarHBondContact OG1-OD1 3.23Å; T217-K258 WeakPolarHBondContact OG1-CB 3.21Å; T217-K258 PolarHBondContact OG1-O 3.33Å; T217-I260 HydrophobicContact CG2-CB 3.92Å; T217-I260 HydrophobicContact CG2-CD1 4.36Å; T217-I260 HydrophobicContact CG2-CG2 4.34Å
218K91.5Very high93.9Very high129 Ų12948.5 Ų48.556%0.56124%0.24SC*.Hα-helixtrans-68.5-46173.8-176.7177-178.7-810111.1T216 M220 I221 E222T216-K218 PolarHBondContact O-N 3Å; T216-K218 PolarHBondContact OG1-N 3.24Å; K218-M220 VanDerWaalsContact C-N 3.29Å; K218-M220 PolarHBondContact O-N 3.32Å; K218-I221 WeakPolarHBondContact O-CB 3.4Å; K218-I221 PolarHBondContact O-N 3.34Å; K218-E222 IonicContact NZ-OE1 2.8Å; K218-E222 PolarHBondContact NZ-OE1 3.16Å; K218-E222 PolarHBondContact O-N 2.83Å
219D94.8Very high93.7Very high58 Ų5852.1 Ų52.131%0.3125%0.253SS..Hα-helixtrans-68.6-29.4-179-48.4-44.5000112.1L215 T216 T223L215-D219 HydrophobicContact CB-CB 4.12Å; L215-D219 HydrophobicContact CD2-CB 4Å; T216-D219 VanDerWaalsContact CB-OD2 3.23Å; T216-D219 WeakPolarHBondContact CB-OD2 3.44Å; T216-D219 VanDerWaalsContact CG2-OD2 3.26Å; T216-D219 WeakPolarHBondContact CG2-OD2 3.41Å; T216-D219 PolarHBondContact N-OD2 3.43Å; T216-D219 VanDerWaalsContact N-OD2 3.09Å; T216-D219 CarbonylContact O-C 3.57Å; T216-D219 PolarHBondContact O-N 2.92Å; T216-D219 PolarHBondContact OG1-N 3.45Å; T216-D219 PolarHBondContact OG1-OD2 2.81Å; D219-T223 WeakPolarHBondContact O-CB 3.39Å; D219-T223 PolarHBondContact O-N 3.47Å; D219-T223 PolarHBondContact O-OG1 2.75Å
220M93.7Very high93.6Very high0 Ų053.6 Ų53.60%026%0.258CS..Hα-helixtrans-64.5-45.9171.7-70.7177.465.500111.2I177 L215 T216 K218 T223 M224 I243 I252 I260 L265I177-M220 HydrophobicContact CD1-CG 4.48Å; I177-M220 HydrophobicContact CG2-CE 4.3Å; I177-M220 HydrophobicContact CG2-CG 4.26Å; I177-M220 HydrophobicContact CG2-SD 4.49Å; L215-M220 HydrophobicContact CB-CG 3.6Å; L215-M220 HydrophobicContact CD1-CG 4.17Å; T216-M220 WeakPolarHBondContact O-CG 3.27Å; T216-M220 PolarHBondContact O-N 3.34Å; K218-M220 VanDerWaalsContact C-N 3.29Å; K218-M220 PolarHBondContact O-N 3.32Å; M220-T223 PolarHBondContact O-N 3.28Å; M220-M224 WeakPolarHBondContact O-CG 3.15Å; M220-M224 PolarHBondContact O-N 2.88Å; M220-I243 HydrophobicContact CE-CG2 4.14Å; M220-I252 HydrophobicContact CE-CD1 3.61Å; M220-I252 HydrophobicContact CE-CG1 4.1Å; M220-I260 HydrophobicContact CE-CG2 4.16Å; M220-L265 HydrophobicContact CE-CD1 4.12Å
221I91.1Very high93.3Very high41 Ų4159.5 Ų59.521%0.2128%0.284CS..Hα-helixtrans-60-51173.5-68.7169.2000110.4T217 K218 T223 M224 L225 I260 F268T217-I221 WeakPolarHBondContact O-CG1 3.22Å; T217-I221 PolarHBondContact O-N 3.43Å; K218-I221 WeakPolarHBondContact O-CB 3.4Å; K218-I221 PolarHBondContact O-N 3.34Å; I221-T223 VanDerWaalsContact C-N 3.28Å; I221-T223 PolarHBondContact O-N 3.11Å; I221-M224 PolarHBondContact O-N 2.63Å; I221-L225 WeakPolarHBondContact O-CB 3.31Å; I221-L225 PolarHBondContact O-N 2.93Å; I221-I260 HydrophobicContact CD1-CD1 3.78Å; I221-I260 HydrophobicContact CG1-CD1 3.35Å; I221-F268 HydrophobicContact CG2-CZ 3.96Å
222E93.3Very high93.1Very high58 Ų5861.4 Ų61.427%0.27129%0.286SS..Hα-helixtrans-62-36.3179.4-74.9-171-151.600112.7K218 K226K218-E222 IonicContact NZ-OE1 2.8Å; K218-E222 PolarHBondContact NZ-OE1 3.16Å; K218-E222 PolarHBondContact O-N 2.83Å; E222-K226 VanDerWaalsContact O-CB 3.25Å; E222-K226 WeakPolarHBondContact O-CB 3.1Å; E222-K226 VanDerWaalsContact O-CD 3.32Å; E222-K226 WeakPolarHBondContact O-CD 3.46Å; E222-K226 WeakPolarHBondContact O-CG 3.46Å; E222-K226 PolarHBondContact O-N 2.77Å; E222-K226 IonicContact OE2-NZ 3.64Å; E222-K226 PolarHBondContact OE2-NZ 3.24Å
223T95.2Very high92.9Very high20 Ų2056.6 Ų56.612%0.12327%0.265CS..Hα-helixtrans-69.4-43.8178.1-63.70000110.9L175 K212 L215 D219 M220 I221 K226 F227L175-T223 HydrophobicContact CD1-CG2 3.71Å; L175-T223 HydrophobicContact CD2-CG2 4.01Å; K212-T223 HydrophobicContact CG-CG2 4.02Å; L215-T223 HydrophobicContact CD1-CG2 4.11Å; L215-T223 WeakPolarHBondContact CD1-OG1 3.29Å; D219-T223 WeakPolarHBondContact O-CB 3.39Å; D219-T223 PolarHBondContact O-N 3.47Å; D219-T223 PolarHBondContact O-OG1 2.75Å; M220-T223 PolarHBondContact O-N 3.28Å; I221-T223 VanDerWaalsContact C-N 3.28Å; I221-T223 PolarHBondContact O-N 3.11Å; T223-K226 PolarHBondContact O-N 3.23Å; T223-F227 WeakPolarHBondContact O-CB 3.42Å; T223-F227 PolarHBondContact O-N 3.49Å
224M94.1Very high92.6Very high0 Ų057.5 Ų57.50%027%0.274CS..Hα-helixtrans-63.6-41.5175-72.9-57.3-70.800112.1L175 I177 M220 I221 F227 S228 V241 L265 F268 L269 F284L175-M224 HydrophobicContact CD2-SD 3.5Å; L175-M224 VanDerWaalsContact CD2-SD 3.5Å; I177-M224 HydrophobicContact CD1-SD 4.46Å; M220-M224 WeakPolarHBondContact O-CG 3.15Å; M220-M224 PolarHBondContact O-N 2.88Å; I221-M224 PolarHBondContact O-N 2.63Å; M224-F227 PolarHBondContact O-N 2.78Å; M224-S228 PolarHBondContact O-N 3.31Å; M224-V241 HydrophobicContact CE-CG1 4.15Å; M224-V241 HydrophobicContact CE-CG2 4.16Å; M224-V241 HydrophobicContact SD-CG1 3.98Å; M224-L265 WeakPolarHBondContact CE-O 3.46Å; M224-L265 HydrophobicContact CG-CD2 3.67Å; M224-F268 HydrophobicContact CB-CB 4.19Å; M224-F268 HydrophobicContact CB-CD2 3.68Å; M224-F268 HydrophobicContact CB-CE2 4.23Å; M224-F268 HydrophobicContact CB-CG 3.92Å; M224-F268 HydrophobicContact CE-CB 4.41Å; M224-F268 HydrophobicContact CG-CD2 4.42Å; M224-L269 HydrophobicContact CE-CD1 4.47Å; M224-L269 HydrophobicContact CE-CG 4.38Å; M224-F284 HydrophobicContact CE-CE1 4.12Å
225L91.6Very high92.4Very high71 Ų7164.2 Ų64.237%0.37230%0.302SS..Hα-helixtrans-66.8-41.7176.5-178.364.5000112.4I221 F227 S228 Q229 F268I221-L225 WeakPolarHBondContact O-CB 3.31Å; I221-L225 PolarHBondContact O-N 2.93Å; L225-F227 VanDerWaalsContact C-N 3.34Å; L225-S228 PolarHBondContact O-OG 2.95Å; L225-S228 VanDerWaalsContact O-OG 3.11Å; L225-Q229 VanDerWaalsContact O-CG 3.27Å; L225-Q229 WeakPolarHBondContact O-CG 3.39Å; L225-Q229 PolarHBondContact O-N 3.31Å; L225-F268 HydrophobicContact CB-CD1 4.25Å; L225-F268 HydrophobicContact CB-CE1 4.06Å; L225-F268 HydrophobicContact CD1-CD1 4.18Å; L225-F268 HydrophobicContact CD1-CE1 4.11Å
226K93.3Very high92.2Very high122 Ų12263.3 Ų63.353%0.5330%0.297SS..Hα-helixtrans-63.7-42174.1-76161.6-178157.40110.6E222 T223 Q229 E230E222-K226 VanDerWaalsContact O-CB 3.25Å; E222-K226 WeakPolarHBondContact O-CB 3.1Å; E222-K226 VanDerWaalsContact O-CD 3.32Å; E222-K226 WeakPolarHBondContact O-CD 3.46Å; E222-K226 WeakPolarHBondContact O-CG 3.46Å; E222-K226 PolarHBondContact O-N 2.77Å; E222-K226 IonicContact OE2-NZ 3.64Å; E222-K226 PolarHBondContact OE2-NZ 3.24Å; T223-K226 PolarHBondContact O-N 3.23Å; K226-Q229 PolarHBondContact O-N 3.35Å; K226-E230 PolarHBondContact O-N 3.34Å
227F94.7Very high91.9Very high6 Ų662.3 Ų62.33%0.02629%0.29CS..Hα-helixtrans-62.7-47.6177.2-171.6-110.7000111.7L173 L175 T223 M224 L225 Q229 E230 H233 V241 L269L173-F227 HydrophobicContact CB-CE2 3.51Å; L173-F227 HydrophobicContact CB-CZ 3.72Å; L173-F227 HydrophobicContact CD1-CD2 4.43Å; L173-F227 HydrophobicContact CD1-CE2 4.03Å; L173-F227 HydrophobicContact CG-CE2 4.46Å; L175-F227 HydrophobicContact CB-CD1 4.28Å; L175-F227 HydrophobicContact CB-CD2 3.94Å; L175-F227 HydrophobicContact CB-CE1 4.05Å; L175-F227 HydrophobicContact CB-CE2 3.66Å; L175-F227 HydrophobicContact CB-CG 4.24Å; L175-F227 HydrophobicContact CB-CZ 3.73Å; L175-F227 HydrophobicContact CD2-CB 4.1Å; L175-F227 HydrophobicContact CD2-CD1 4.09Å; L175-F227 HydrophobicContact CD2-CD2 4.33Å; L175-F227 HydrophobicContact CD2-CG 3.94Å; T223-F227 WeakPolarHBondContact O-CB 3.42Å; T223-F227 PolarHBondContact O-N 3.49Å; M224-F227 PolarHBondContact O-N 2.78Å; L225-F227 VanDerWaalsContact C-N 3.34Å; F227-Q229 PolarHBondContact O-N 2.84Å; F227-Q229 VanDerWaalsContact O-N 3.15Å; F227-E230 WeakPolarHBondContact O-CB 3.18Å; F227-E230 WeakPolarHBondContact O-CG 3.23Å; F227-E230 PolarHBondContact O-N 2.97Å; F227-H233 AromaticContact CD1-NE2 3.96Å; F227-H233 AromaticContact CE1-CE1 3.91Å; F227-H233 AromaticContact CE1-NE2 3.85Å; F227-H233 AromaticContact CZ-CE1 3.84Å; F227-H233 PolarHBondContact O-CD2 2.93Å; F227-H233 VanDerWaalsContact O-CD2 3.23Å; F227-H233 PolarHBondContact O-NE2 3.4Å; F227-H233 VanDerWaalsContact O-NE2 3.11Å; F227-V241 HydrophobicContact CD1-CG2 4.38Å; F227-V241 HydrophobicContact CE1-CG2 3.86Å; F227-L269 HydrophobicContact CD1-CD1 4.21Å; F227-L269 HydrophobicContact CD1-CD2 4.02Å; F227-L269 HydrophobicContact CE1-CD1 3.98Å; F227-L269 HydrophobicContact CE1-CD2 4.4Å
228S91.5Very high91.9Very high7 Ų761.7 Ų61.75%0.04929%0.286CS..Hα-helixtrans-64.2-20.1178.273.30000114.3M224 L225 F268 C274M224-S228 PolarHBondContact O-N 3.31Å; L225-S228 PolarHBondContact O-OG 2.95Å; L225-S228 VanDerWaalsContact O-OG 3.11Å; S228-F268 WeakPolarHBondContact CB-O 3.49Å; S228-C274 PolarHBondContact O-SG 3.41Å
229Q91.8Very high91.9Very high130 Ų13055.5 Ų55.561%0.60726%0.26SS*.THydrogen-bonded Turntrans-92.5-1176.4-68.2176.60.900114L225 K226 F227 K231L225-Q229 VanDerWaalsContact O-CG 3.27Å; L225-Q229 WeakPolarHBondContact O-CG 3.39Å; L225-Q229 PolarHBondContact O-N 3.31Å; K226-Q229 PolarHBondContact O-N 3.35Å; F227-Q229 PolarHBondContact O-N 2.84Å; F227-Q229 VanDerWaalsContact O-N 3.15Å; Q229-K231 PolarHBondContact O-N 2.94Å; Q229-K231 VanDerWaalsContact O-N 3.15Å
230E92.4Very high91.8Very high64 Ų6452.8 Ų52.830%0.29925%0.245SC..  trans-64.1114.6179.5-71.3-75.6-15600111.4L173 K210 K226 F227 E232 H233L173-E230 HydrophobicContact CD1-CB 3.71Å; L173-E230 HydrophobicContact CD1-CG 3.94Å; K210-E230 IonicContact NZ-OE1 3.81Å; K210-E230 PolarHBondContact NZ-OE1 3.45Å; K210-E230 IonicContact NZ-OE2 3.71Å; K226-E230 PolarHBondContact O-N 3.34Å; F227-E230 WeakPolarHBondContact O-CB 3.18Å; F227-E230 WeakPolarHBondContact O-CG 3.23Å; F227-E230 PolarHBondContact O-N 2.97Å; E230-E232 PolarHBondContact O-N 3.42Å; E230-H233 WeakPolarHBondContact O-CB 3.33Å; E230-H233 PolarHBondContact O-N 3.35Å
231K90.6Very high91.8Very high172 Ų17252.8 Ų52.875%0.74825%0.245SC*.G310 helixtrans-58.6-22.8178.6-63.7-174.8-179.6-178.70112.8Q229 H233 Q234Q229-K231 PolarHBondContact O-N 2.94Å; Q229-K231 VanDerWaalsContact O-N 3.15Å; K231-H233 PolarHBondContact O-N 2.66Å; K231-Q234 WeakPolarHBondContact O-CB 3.43Å; K231-Q234 PolarHBondContact O-N 3Å
232E91.4Very high91.9Very high80 Ų8050.9 Ų50.937%0.37424%0.235SC..G310 helixtrans-57.6-31.7174.9-57.3-177.1116.500112.6L173 K210 E230 Q234 K235 C236L173-E232 HydrophobicContact CD1-CB 4.15Å; L173-E232 HydrophobicContact CD2-CB 4.12Å; L173-E232 WeakPolarHBondContact CD2-OE2 3.46Å; L173-E232 HydrophobicContact CG-CB 4.4Å; K210-E232 IonicContact NZ-OE2 3.35Å; K210-E232 PolarHBondContact NZ-OE2 2.97Å; E230-E232 PolarHBondContact O-N 3.42Å; E232-Q234 PolarHBondContact O-N 3.11Å; E232-Q234 VanDerWaalsContact O-N 3.12Å; E232-K235 PolarHBondContact O-N 3.03Å; E232-C236 PolarHBondContact O-N 3.08Å; E232-C236 PolarHBondContact O-SG 3.38Å
233H92Very high91.8Very high0 Ų048.2 Ų48.20%022%0.223CC..G310 helixtrans-58.1-26.4177.2-76.9-53.6000113.4F227 E230 K231 K235 A276 L277 K280F227-H233 AromaticContact CD1-NE2 3.96Å; F227-H233 AromaticContact CE1-CE1 3.91Å; F227-H233 AromaticContact CE1-NE2 3.85Å; F227-H233 AromaticContact CZ-CE1 3.84Å; F227-H233 PolarHBondContact O-CD2 2.93Å; F227-H233 VanDerWaalsContact O-CD2 3.23Å; F227-H233 PolarHBondContact O-NE2 3.4Å; F227-H233 VanDerWaalsContact O-NE2 3.11Å; E230-H233 WeakPolarHBondContact O-CB 3.33Å; E230-H233 PolarHBondContact O-N 3.35Å; K231-H233 PolarHBondContact O-N 2.66Å; H233-K235 VanDerWaalsContact C-N 3.29Å; H233-K235 PolarHBondContact O-N 3.32Å; H233-A276 HydrophobicContact CB-CB 3.71Å; H233-L277 HydrophobicContact CB-CD2 4.05Å; H233-L277 HydrophobicContact CB-CG 4.17Å; H233-K280 PolarHBondContact O-NZ 3.49Å
234Q89.2Confident91.6Very high136 Ų13647.2 Ų47.264%0.63622%0.217SC*.G310 helixtrans-64.1-35.8175.5-63.6-179.6-10.200111.9K231 E232 A276 K280K231-Q234 WeakPolarHBondContact O-CB 3.43Å; K231-Q234 PolarHBondContact O-N 3Å; E232-Q234 PolarHBondContact O-N 3.11Å; E232-Q234 VanDerWaalsContact O-N 3.12Å; Q234-A276 HydrophobicContact CG-CB 3.72Å; Q234-K280 PolarHBondContact O-NZ 2.88Å
235K89.5Confident91.3Very high181 Ų18147.2 Ų47.279%0.78722%0.217SC*.THydrogen-bonded Turntrans-93.5-14.5-174.3-60.1-176.6-179.7-177.90114.4E232 H233E232-K235 PolarHBondContact O-N 3.03Å; H233-K235 VanDerWaalsContact C-N 3.29Å; H233-K235 PolarHBondContact O-N 3.32Å
236C90.1Very high90.8Very high2 Ų244.9 Ų44.91%0.01420%0.204CC..SBendtrans-96163.3176.2-51.30000111E232 K280E232-C236 PolarHBondContact O-N 3.08Å; E232-C236 PolarHBondContact O-SG 3.38Å; C236-K280 WeakPolarHBondContact O-CD 3.31Å; C236-K280 VanDerWaalsContact O-CE 3.23Å; C236-K280 WeakPolarHBondContact O-CE 3.01Å; C236-K280 PolarHBondContact O-NZ 3.19Å
237D88.6Confident89.7Confident16 Ų1639.2 Ų39.29%0.08618%0.18CC..SBendtrans-99.1-19.7-179.8-61-46.6000114.3K165 S167 S168 K171 K280 P281K165-D237 WeakPolarHBondContact CE-OD1 3.11Å; K165-D237 VanDerWaalsContact O-CB 3.31Å; K165-D237 WeakPolarHBondContact O-CB 3.44Å; S167-D237 PolarHBondContact N-OD2 2.84Å; S168-D237 WeakPolarHBondContact CB-OD2 3.41Å; S168-D237 PolarHBondContact N-OD2 3.21Å; S168-D237 PolarHBondContact OG-N 2.91Å; S168-D237 PolarHBondContact OG-OD2 3.22Å; K171-D237 PolarHBondContact O-N 2.95Å; D237-K280 WeakPolarHBondContact O-CB 3.45Å; D237-K280 WeakPolarHBondContact O-CG 3.29Å; D237-P281 WeakPolarHBondContact O-CD 3.36Å
238S90.1Very high88.1Confident2 Ų241.8 Ų41.81%0.01419%0.194CC..EExtended strand (participates in β ladder)trans-145.3169.7-179.558.90000113.9N166 K171 G172 Y207 P281N166-S238 PolarHBondContact OD1-OG 3.19Å; K171-S238 PolarHBondContact O-N 3Å; K171-S238 VanDerWaalsContact O-N 3.08Å; K171-S238 PolarHBondContact O-OG 3.42Å; G172-S238 WeakPolarHBondContact CA-O 3.49Å; Y207-S238 VanDerWaalsContact CE1-OG 3.31Å; Y207-S238 WeakPolarHBondContact CE1-OG 3.43Å; Y207-S238 PolarHBondContact OH-OG 3.34Å; S238-P281 WeakPolarHBondContact CA-O 3.48Å
239A91.4Very high86.4Confident0 Ų046.7 Ų46.70%022%0.216CC..EExtended strand (participates in β ladder)trans-134.2145.9173.200000111.7L277 P281 K282 L283A239-L277 HydrophobicContact CB-CD1 3.67Å; A239-L277 HydrophobicContact CB-CD2 4.04Å; A239-P281 PolarHBondContact N-O 2.93Å; A239-K282 WeakPolarHBondContact O-CA 3.38Å; A239-L283 PolarHBondContact O-N 2.82Å
240V92.1Very high84.8Confident0 Ų042.5 Ų42.50%021%0.208CC..EExtended strand (participates in β ladder)trans-126.2137.4176.5-1770000109.8L173 A174 L175 F202 Y207 V242 L283 F285L173-V240 PolarHBondContact O-N 2.96Å; A174-V240 CarbonylContact C-O 3.51Å; A174-V240 WeakPolarHBondContact CA-O 3.35Å; A174-V240 HydrophobicContact CB-CB 3.96Å; L175-V240 PolarHBondContact N-O 3.26Å; F202-V240 HydrophobicContact CD1-CG1 4.43Å; F202-V240 HydrophobicContact CD1-CG2 4.29Å; F202-V240 HydrophobicContact CE1-CB 4.47Å; F202-V240 HydrophobicContact CE1-CG1 3.87Å; F202-V240 HydrophobicContact CE1-CG2 4Å; F202-V240 HydrophobicContact CE2-CG1 4.04Å; F202-V240 HydrophobicContact CZ-CG1 3.67Å; Y207-V240 HydrophobicContact CD1-CG2 3.96Å; Y207-V240 HydrophobicContact CE1-CG2 3.62Å; V240-V242 HydrophobicContact CG1-CG2 4.06Å; V240-L283 CarbonylContact C-O 3.55Å; V240-L283 WeakPolarHBondContact CA-O 3.23Å; V240-L283 HydrophobicContact CG1-CB 4.43Å; V240-L283 HydrophobicContact CG2-CB 4.25Å; V240-L283 HydrophobicContact CG2-CD1 4.34Å; V240-F285 HydrophobicContact CG1-CD2 3.96Å; V240-F285 HydrophobicContact CG1-CE2 3.98Å
241V93.1Very high84Confident1 Ų143 Ų431%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-130.9115.9173.1-178.40000109L175 M224 F227 I243 L269 L283 F284 F285L175-V241 HydrophobicContact CB-CG2 4.46Å; L175-V241 HydrophobicContact CD2-CG1 4.45Å; L175-V241 CarbonylContact O-C 3.34Å; L175-V241 WeakPolarHBondContact O-CA 3.5Å; M224-V241 HydrophobicContact CE-CG1 4.15Å; M224-V241 HydrophobicContact CE-CG2 4.16Å; M224-V241 HydrophobicContact SD-CG1 3.98Å; F227-V241 HydrophobicContact CD1-CG2 4.38Å; F227-V241 HydrophobicContact CE1-CG2 3.86Å; V241-I243 HydrophobicContact CG1-CD1 4.21Å; V241-I243 HydrophobicContact CG1-CG1 3.97Å; V241-L269 HydrophobicContact CG2-CD1 3.52Å; V241-L283 PolarHBondContact N-O 3.03Å; V241-F284 HydrophobicContact CB-CD1 3.74Å; V241-F284 HydrophobicContact CB-CE1 3.82Å; V241-F284 HydrophobicContact CG1-CD1 4.08Å; V241-F284 HydrophobicContact CG1-CE1 4.1Å; V241-F284 HydrophobicContact CG2-CD1 4.33Å; V241-F284 HydrophobicContact CG2-CE1 3.93Å; V241-F284 HydrophobicContact CG2-CZ 4.41Å; V241-F284 CarbonylContact O-C 3.49Å; V241-F284 WeakPolarHBondContact O-CA 3.32Å; V241-F285 PolarHBondContact O-N 2.84Å
242V93.3Very high83.8Confident0 Ų034.9 Ų34.90%018%0.175CC..EExtended strand (participates in β ladder)trans-109.9129.9174.2-168.40000109.2L175 I176 I177 L198 F202 V240 L244 F285L175-V242 PolarHBondContact O-N 3.47Å; I176-V242 CarbonylContact C-O 3.59Å; I176-V242 WeakPolarHBondContact CA-O 3.38Å; I176-V242 HydrophobicContact CG1-CB 4.21Å; I176-V242 HydrophobicContact CG1-CG2 4.24Å; I176-V242 HydrophobicContact CG2-CB 4.43Å; I177-V242 PolarHBondContact N-O 3.23Å; L198-V242 HydrophobicContact CD1-CG1 3.69Å; L198-V242 HydrophobicContact CD2-CG1 4.48Å; L198-V242 HydrophobicContact CD2-CG2 4.48Å; F202-V242 HydrophobicContact CE2-CG2 3.87Å; V240-V242 HydrophobicContact CG1-CG2 4.06Å; V242-L244 HydrophobicContact CG1-CD2 3.88Å; V242-L244 HydrophobicContact CG1-CG 4.26Å; V242-F285 CarbonylContact C-O 3.56Å; V242-F285 WeakPolarHBondContact CA-O 3.39Å; V242-F285 HydrophobicContact CB-CB 4.33Å; V242-F285 HydrophobicContact CG1-CB 3.95Å; V242-F285 HydrophobicContact CG2-CB 4.14Å; V242-F285 HydrophobicContact CG2-CD2 4.12Å
243I91.2Very high83.7Confident2 Ų233.1 Ų33.11%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-125.1110.5179.2-46.6171.5000110I177 M220 V241 I252 L265 F285 V286 Q287I177-I243 HydrophobicContact CB-CG2 4.17Å; I177-I243 HydrophobicContact CG2-CG2 4.29Å; M220-I243 HydrophobicContact CE-CG2 4.14Å; V241-I243 HydrophobicContact CG1-CD1 4.21Å; V241-I243 HydrophobicContact CG1-CG1 3.97Å; I243-I252 HydrophobicContact CB-CD1 4.25Å; I243-I252 HydrophobicContact CD1-CD1 3.91Å; I243-I252 HydrophobicContact CG2-CD1 3.47Å; I243-I252 VanDerWaalsContact CG2-CD1 3.47Å; I243-L265 HydrophobicContact CD1-CD1 3.91Å; I243-F285 PolarHBondContact N-O 2.78Å; I243-V286 HydrophobicContact CD1-CG2 4.39Å; I243-Q287 PolarHBondContact O-N 2.8Å
244L90.9Very high83.6Confident0 Ų033.1 Ų33.10%017%0.165CC..EExtended strand (participates in β ladder)trans-104.199178.7-50.1178.5000108.2I177 N178 N179 D194 C195 L198 V242 Q287 I350I177-L244 PolarHBondContact O-N 3.49Å; N178-L244 HydrophobicContact CB-CD1 4.46Å; N179-L244 PolarHBondContact N-O 2.71Å; D194-L244 HydrophobicContact CB-CD1 3.87Å; C195-L244 HydrophobicContact CB-CD1 4.09Å; L198-L244 HydrophobicContact CD1-CD1 4.01Å; L198-L244 HydrophobicContact CD1-CD2 4.08Å; L198-L244 HydrophobicContact CD1-CG 4.45Å; V242-L244 HydrophobicContact CG1-CD2 3.88Å; V242-L244 HydrophobicContact CG1-CG 4.26Å; L244-Q287 HydrophobicContact CD2-CB 3.8Å; L244-I350 HydrophobicContact CD2-CD1 4.09Å; L244-I350 HydrophobicContact CD2-CG1 4.11Å
245S89Confident83.7Confident0 Ų027.5 Ų27.50%014%0.141CC..  trans-142.8-175.3-177.5-160.30000113F182 R188 Y253 Q287 A288F182-S245 WeakPolarHBondContact CE1-OG 3.28Å; F182-S245 VanDerWaalsContact CZ-OG 3.28Å; F182-S245 WeakPolarHBondContact CZ-OG 3.39Å; R188-S245 PolarHBondContact NE-O 2.99Å; S245-Y253 PolarHBondContact OG-O 3.13Å; S245-Q287 PolarHBondContact N-O 2.8Å; S245-Q287 VanDerWaalsContact O-O 3.11Å; S245-A288 WeakPolarHBondContact O-CA 3.44Å
246H81.5Confident83.8Confident21 Ų2120.4 Ų20.410%0.09711%0.112CC..  trans-84.8166.4153.8-68.3-62.8000109.3F182 M185 P186 Y253F182-H246 AromaticContact CD2-CD2 3.42Å; F182-H246 VanDerWaalsContact CD2-CD2 3.42Å; F182-H246 WeakPolarHBondContact CD2-CD2 3.26Å; F182-H246 AromaticContact CD2-NE2 3.83Å; F182-H246 HydrophobicContact CE1-CB 4.3Å; F182-H246 AromaticContact CE1-CD2 3.95Å; F182-H246 AromaticContact CE2-CD2 3.33Å; F182-H246 WeakPolarHBondContact CE2-CD2 3.32Å; F182-H246 AromaticContact CE2-NE2 3.86Å; F182-H246 AromaticContact CG-CD2 3.79Å; F182-H246 HydrophobicContact CZ-CB 4.26Å; F182-H246 AromaticContact CZ-CD2 3.6Å; M185-H246 HydrophobicContact CE-CB 3.77Å; P186-H246 PolarHBondContact O-NE2 3.03Å; H246-Y253 HydrophobicContact CB-CD2 3.75Å; H246-Y253 HydrophobicContact CB-CG 4.42Å; H246-Y253 PolarHBondContact O-N 3.34Å
247G69.4Low83.5Confident3 Ų321.5 Ų21.53%0.03112%0.123CC..BIsolated β-bridgetrans-167.9-173.8174.400000114.2E251 C289 G291G247-E251 CarbonylContact C-O 3.56Å; G247-E251 VanDerWaalsContact CA-O 3.25Å; G247-E251 WeakPolarHBondContact CA-O 3.26Å; G247-C289 CarbonylContact C-O 3.51Å; G247-C289 VanDerWaalsContact CA-O 3.24Å; G247-C289 WeakPolarHBondContact CA-O 3.41Å; G247-C289 CarbonylContact O-C 3.38Å; G247-G291 PolarHBondContact O-N 2.83Å; G247-G291 VanDerWaalsContact O-N 3.16Å
248L60.9Low83.5Confident61 Ų6126.9 Ų26.932%0.31915%0.146SC..  trans-127.8-173.1172.2-60.9-178.9000108.6G250 E251 Y253 L259 C289L248-G250 PolarHBondContact O-N 3.45Å; L248-E251 PolarHBondContact N-O 2.93Å; L248-E251 VanDerWaalsContact O-O 3.09Å; L248-Y253 HydrophobicContact CD2-CE2 4.42Å; L248-Y253 HydrophobicContact CG-CE2 4.13Å; L248-L259 HydrophobicContact CD1-CD1 3.62Å; L248-L259 HydrophobicContact CD1-CD2 4.01Å; L248-L259 HydrophobicContact CD1-CG 4.47Å; L248-L259 HydrophobicContact CG-CD2 4.05Å; L248-C289 PolarHBondContact N-O 3.22Å
249H55.9Low83.3Confident110 Ų11029.6 Ų29.651%0.50916%0.16SC..SBendtrans-61.8125.5170.7-169.3112.1000110E251 D295H249-E251 PolarHBondContact O-N 3.27Å; H249-D295 IonicContact CE1-OD2 2.64Å; H249-D295 IonicContact CG-OD1 3.61Å; H249-D295 IonicContact CG-OD2 2.65Å; H249-D295 IonicContact ND1-OD1 2.64Å; H249-D295 PolarHBondContact ND1-OD1 3.39Å; H249-D295 IonicContact ND1-OD2 3.65Å; H249-D295 PolarHBondContact ND1-OD2 2.79Å
250G57.4Low83.1Confident42 Ų4230 Ų3043%0.43316%0.162SC..SBendtrans70.4-12.1178.300000116.8L248 V262L248-G250 PolarHBondContact O-N 3.45Å; G250-V262 WeakPolarHBondContact O-CG2 3.4Å; G250-V262 PolarHBondContact O-N 3.31Å
251E76.9Confident82.7Confident73 Ų7331.7 Ų31.734%0.34117%0.174SC..EExtended strand (participates in β ladder)trans-129.2151.5-173.7-60-165.7116.700113.1G247 L248 H249 L259 I260G247-E251 CarbonylContact C-O 3.56Å; G247-E251 VanDerWaalsContact CA-O 3.25Å; G247-E251 WeakPolarHBondContact CA-O 3.26Å; L248-E251 PolarHBondContact N-O 2.93Å; L248-E251 VanDerWaalsContact O-O 3.09Å; H249-E251 PolarHBondContact O-N 3.27Å; E251-L259 HydrophobicContact CB-CB 4.35Å; E251-L259 HydrophobicContact CB-CD2 3.89Å; E251-I260 CarbonylContact C-O 3.58Å; E251-I260 VanDerWaalsContact CA-O 3.31Å; E251-I260 WeakPolarHBondContact CA-O 3.31Å
252I86.3Confident82Confident2 Ų232.3 Ų32.31%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-127.9153.1177.160.3178.5000111.8M220 I243 L259 I260 V262 L265 V286 A288M220-I252 HydrophobicContact CE-CD1 3.61Å; M220-I252 HydrophobicContact CE-CG1 4.1Å; I243-I252 HydrophobicContact CB-CD1 4.25Å; I243-I252 HydrophobicContact CD1-CD1 3.91Å; I243-I252 HydrophobicContact CG2-CD1 3.47Å; I243-I252 VanDerWaalsContact CG2-CD1 3.47Å; I252-L259 CarbonylContact O-C 3.54Å; I252-L259 WeakPolarHBondContact O-CA 3.37Å; I252-I260 HydrophobicContact CG1-CG2 3.79Å; I252-I260 PolarHBondContact N-O 3.01Å; I252-I260 WeakPolarHBondContact O-CG2 3.29Å; I252-I260 PolarHBondContact O-N 3.1Å; I252-V262 HydrophobicContact CD1-CG2 4.46Å; I252-V262 HydrophobicContact CG1-CG2 4.33Å; I252-V262 HydrophobicContact CG2-CG2 3.72Å; I252-L265 HydrophobicContact CD1-CD1 3.55Å; I252-L265 HydrophobicContact CG1-CD1 4.07Å; I252-V286 HydrophobicContact CG2-CG1 4.05Å; I252-A288 HydrophobicContact CB-CB 4.49Å; I252-A288 HydrophobicContact CG2-CB 3.47Å; I252-A288 VanDerWaalsContact CG2-CB 3.47Å
253Y88.2Confident81.3Confident43 Ų4337.2 Ų37.217%0.16920%0.2CC..EExtended strand (participates in β ladder)trans-85.2138.2-179.9-73.4-82.6000112.1N179 M185 S245 H246 L248 G257 K258 L259N179-Y253 PolarHBondContact ND2-O 2.98Å; M185-Y253 HydrophobicContact CE-CD1 4.32Å; M185-Y253 HydrophobicContact CE-CD2 3.63Å; M185-Y253 HydrophobicContact CE-CE1 4.29Å; M185-Y253 HydrophobicContact CE-CE2 3.59Å; M185-Y253 HydrophobicContact CE-CG 4Å; M185-Y253 HydrophobicContact SD-CD1 3.72Å; M185-Y253 HydrophobicContact SD-CD2 4.05Å; M185-Y253 HydrophobicContact SD-CE1 3.93Å; M185-Y253 HydrophobicContact SD-CE2 4.25Å; M185-Y253 HydrophobicContact SD-CG 3.77Å; S245-Y253 PolarHBondContact OG-O 3.13Å; H246-Y253 HydrophobicContact CB-CD2 3.75Å; H246-Y253 HydrophobicContact CB-CG 4.42Å; H246-Y253 PolarHBondContact O-N 3.34Å; L248-Y253 HydrophobicContact CD2-CE2 4.42Å; L248-Y253 HydrophobicContact CG-CE2 4.13Å; Y253-G257 WeakPolarHBondContact CD1-O 3.47Å; Y253-K258 CarbonylContact C-O 3.58Å; Y253-K258 VanDerWaalsContact CA-O 3.26Å; Y253-K258 WeakPolarHBondContact CA-O 3.31Å; Y253-L259 HydrophobicContact CD1-CD2 3.82Å; Y253-L259 HydrophobicContact CD1-CG 3.94Å; Y253-L259 HydrophobicContact CD2-CD2 3.88Å; Y253-L259 HydrophobicContact CE1-CD1 4.18Å; Y253-L259 HydrophobicContact CE1-CD2 3.67Å; Y253-L259 HydrophobicContact CE1-CG 3.64Å; Y253-L259 HydrophobicContact CE2-CD2 3.73Å; Y253-L259 HydrophobicContact CG-CD2 3.94Å
254G91Very high80.9Confident0 Ų043.7 Ų43.70%023%0.225CC..  trans-77.2164.4155.900000111.5F182 D256 G257 K258F182-G254 WeakPolarHBondContact CD1-O 3.37Å; G254-D256 PolarHBondContact O-N 3.18Å; G254-D256 VanDerWaalsContact O-N 3.12Å; G254-G257 PolarHBondContact O-N 2.85Å; G254-K258 PolarHBondContact N-O 3.46Å
255S91.8Very high80.7Confident18 Ų1843.7 Ų43.713%0.12623%0.225CC..THydrogen-bonded Turntrans-60.9-18.4174.767.90000113.4R181 F182 R183 D214 L215 T216 G257R181-S255 VanDerWaalsContact O-CB 3.28Å; R181-S255 WeakPolarHBondContact O-CB 3.36Å; F182-S255 CarbonylContact C-O 3.58Å; F182-S255 WeakPolarHBondContact CA-O 3.38Å; R183-S255 PolarHBondContact N-O 3.08Å; D214-S255 VanDerWaalsContact C-CB 3.48Å; D214-S255 WeakPolarHBondContact O-CB 3.42Å; D214-S255 PolarHBondContact O-OG 2.96Å; L215-S255 PolarHBondContact O-N 3.42Å; L215-S255 PolarHBondContact O-OG 3.25Å; T216-S255 PolarHBondContact N-OG 3.4Å; T216-S255 VanDerWaalsContact N-OG 3.17Å; S255-G257 PolarHBondContact O-N 3.12Å
256D91.1Very high80.4Confident33 Ų3344.7 Ų44.718%0.17623%0.23CC..THydrogen-bonded Turntrans-77.6-117268.5-32.6000114.3T216 T217 G254 K258T216-D256 HydrophobicContact CG2-CB 3.9Å; T217-D256 WeakPolarHBondContact CB-OD1 3.43Å; T217-D256 PolarHBondContact N-OD1 3.46Å; T217-D256 PolarHBondContact OG1-OD1 3.23Å; G254-D256 PolarHBondContact O-N 3.18Å; G254-D256 VanDerWaalsContact O-N 3.12Å; D256-K258 VanDerWaalsContact C-N 3.26Å; D256-K258 PolarHBondContact O-N 3.33Å; D256-K258 VanDerWaalsContact OD2-CD 3.25Å; D256-K258 WeakPolarHBondContact OD2-CD 3.44Å; D256-K258 VanDerWaalsContact OD2-CE 3.27Å; D256-K258 WeakPolarHBondContact OD2-CE 3.41Å; D256-K258 WeakPolarHBondContact OD2-CG 3.14Å; D256-K258 IonicContact OD2-NZ 3.99Å; D256-K258 PolarHBondContact OD2-NZ 3.26Å
257G83.7Confident80.6Confident25 Ų2547.1 Ų47.126%0.25824%0.243SC..SBendtrans76.49.1179.500000114.2Y253 G254 S255Y253-G257 WeakPolarHBondContact CD1-O 3.47Å; G254-G257 PolarHBondContact O-N 2.85Å; S255-G257 PolarHBondContact O-N 3.12Å
258K87.5Confident81.4Confident129 Ų12948.3 Ų48.356%0.56125%0.247SC*.  trans-89.9159.9170.7-59.1-175.1-159.8122.60110.7T217 Y253 G254 D256T217-K258 WeakPolarHBondContact OG1-CB 3.21Å; T217-K258 PolarHBondContact OG1-O 3.33Å; Y253-K258 CarbonylContact C-O 3.58Å; Y253-K258 VanDerWaalsContact CA-O 3.26Å; Y253-K258 WeakPolarHBondContact CA-O 3.31Å; G254-K258 PolarHBondContact N-O 3.46Å; D256-K258 VanDerWaalsContact C-N 3.26Å; D256-K258 PolarHBondContact O-N 3.33Å; D256-K258 VanDerWaalsContact OD2-CD 3.25Å; D256-K258 WeakPolarHBondContact OD2-CD 3.44Å; D256-K258 VanDerWaalsContact OD2-CE 3.27Å; D256-K258 WeakPolarHBondContact OD2-CE 3.41Å; D256-K258 WeakPolarHBondContact OD2-CG 3.14Å; D256-K258 IonicContact OD2-NZ 3.99Å; D256-K258 PolarHBondContact OD2-NZ 3.26Å
259L85.8Confident82.5Confident59 Ų5945.4 Ų45.431%0.30923%0.232SC..EExtended strand (participates in β ladder)trans-99152.5-179.1-72.8156.3000111.7L248 E251 I252 Y253L248-L259 HydrophobicContact CD1-CD1 3.62Å; L248-L259 HydrophobicContact CD1-CD2 4.01Å; L248-L259 HydrophobicContact CD1-CG 4.47Å; L248-L259 HydrophobicContact CG-CD2 4.05Å; E251-L259 HydrophobicContact CB-CB 4.35Å; E251-L259 HydrophobicContact CB-CD2 3.89Å; I252-L259 CarbonylContact O-C 3.54Å; I252-L259 WeakPolarHBondContact O-CA 3.37Å; Y253-L259 HydrophobicContact CD1-CD2 3.82Å; Y253-L259 HydrophobicContact CD1-CG 3.94Å; Y253-L259 HydrophobicContact CD2-CD2 3.88Å; Y253-L259 HydrophobicContact CE1-CD1 4.18Å; Y253-L259 HydrophobicContact CE1-CD2 3.67Å; Y253-L259 HydrophobicContact CE1-CG 3.64Å; Y253-L259 HydrophobicContact CE2-CD2 3.73Å; Y253-L259 HydrophobicContact CG-CD2 3.94Å
260I87.3Confident83.7Confident7 Ų741.7 Ų41.74%0.03622%0.216CC..EExtended strand (participates in β ladder)trans-142.6133.3170-179.6156.6000110.9T217 M220 I221 E251 I252 V262 L265T217-I260 HydrophobicContact CG2-CB 3.92Å; T217-I260 HydrophobicContact CG2-CD1 4.36Å; T217-I260 HydrophobicContact CG2-CG2 4.34Å; M220-I260 HydrophobicContact CE-CG2 4.16Å; I221-I260 HydrophobicContact CD1-CD1 3.78Å; I221-I260 HydrophobicContact CG1-CD1 3.35Å; E251-I260 CarbonylContact C-O 3.58Å; E251-I260 VanDerWaalsContact CA-O 3.31Å; E251-I260 WeakPolarHBondContact CA-O 3.31Å; I252-I260 HydrophobicContact CG1-CG2 3.79Å; I252-I260 PolarHBondContact N-O 3.01Å; I252-I260 WeakPolarHBondContact O-CG2 3.29Å; I252-I260 PolarHBondContact O-N 3.1Å; I260-V262 PolarHBondContact O-N 2.92Å; I260-L265 HydrophobicContact CD1-CD2 3.74Å; I260-L265 HydrophobicContact CD1-CG 4.14Å; I260-L265 HydrophobicContact CG1-CD1 4.37Å; I260-L265 HydrophobicContact CG1-CD2 4.31Å; I260-L265 HydrophobicContact CG1-CG 4.16Å; I260-L265 HydrophobicContact CG2-CD1 4.12Å
261S83.6Confident84.4Confident37 Ų3742.5 Ų42.526%0.25922%0.219SC..EExtended strand (participates in β ladder)trans-56.2132.1171.81610000111.7E263 R264 L265S261-E263 VanDerWaalsContact C-N 3.34Å; S261-E263 PolarHBondContact OG-N 2.99Å; S261-R264 WeakPolarHBondContact O-CB 3.4Å; S261-R264 PolarHBondContact O-N 2.79Å; S261-R264 PolarHBondContact OG-N 3.48Å; S261-R264 VanDerWaalsContact OG-N 3.15Å; S261-L265 PolarHBondContact O-N 3Å
262V80.3Confident84.3Confident13 Ų1346 Ų468%0.07924%0.235CC..Hα-helixtrans-66.1-38.81741750000110.8G250 I252 I260 R264 L265 I266 V286G250-V262 WeakPolarHBondContact O-CG2 3.4Å; G250-V262 PolarHBondContact O-N 3.31Å; I252-V262 HydrophobicContact CD1-CG2 4.46Å; I252-V262 HydrophobicContact CG1-CG2 4.33Å; I252-V262 HydrophobicContact CG2-CG2 3.72Å; I260-V262 PolarHBondContact O-N 2.92Å; V262-R264 VanDerWaalsContact C-N 3.31Å; V262-R264 PolarHBondContact O-N 2.93Å; V262-L265 WeakPolarHBondContact O-CB 3.31Å; V262-L265 PolarHBondContact O-N 2.9Å; V262-I266 HydrophobicContact CG1-CD1 3.82Å; V262-I266 HydrophobicContact CG1-CG1 4.48Å; V262-I266 WeakPolarHBondContact O-CG1 3.23Å; V262-I266 PolarHBondContact O-N 3.32Å; V262-V286 HydrophobicContact CG1-CG2 3.94Å; V262-V286 HydrophobicContact CG2-CG1 4.22Å
263E77.2Confident84Confident104 Ų10450.3 Ų50.349%0.48626%0.255SS..Hα-helixtrans-58.8-43174.6-178.1178-149.100111.3S261 L265 I266 L267 Q333S261-E263 VanDerWaalsContact C-N 3.34Å; S261-E263 PolarHBondContact OG-N 2.99Å; E263-L265 PolarHBondContact O-N 2.93Å; E263-I266 WeakPolarHBondContact O-CB 3.36Å; E263-I266 PolarHBondContact O-N 3.06Å; E263-I266 VanDerWaalsContact O-N 3.09Å; E263-L267 WeakPolarHBondContact O-CG 3.22Å; E263-L267 PolarHBondContact O-N 3.17Å; E263-Q333 PolarHBondContact OE1-NE2 3.15Å
264R84.2Confident83.9Confident137 Ų13748.3 Ų48.352%0.51725%0.247SC..Hα-helixtrans-59.6-33.2174.8-174.8178.1-178.4177.43.5112.7S261 V262 F268S261-R264 WeakPolarHBondContact O-CB 3.4Å; S261-R264 PolarHBondContact O-N 2.79Å; S261-R264 PolarHBondContact OG-N 3.48Å; S261-R264 VanDerWaalsContact OG-N 3.15Å; V262-R264 VanDerWaalsContact C-N 3.31Å; V262-R264 PolarHBondContact O-N 2.93Å; R264-F268 WeakPolarHBondContact O-CD2 3.38Å; R264-F268 VanDerWaalsContact O-CE2 3.25Å; R264-F268 WeakPolarHBondContact O-CE2 3.25Å
265L85.3Confident83.6Confident1 Ų152.4 Ų52.41%0.00527%0.274CS..Hα-helixtrans-74.4-38.4176.3-64.3167.8000111.2M220 M224 I243 I252 I260 S261 V262 E263 F268M220-L265 HydrophobicContact CE-CD1 4.12Å; M224-L265 WeakPolarHBondContact CE-O 3.46Å; M224-L265 HydrophobicContact CG-CD2 3.67Å; I243-L265 HydrophobicContact CD1-CD1 3.91Å; I252-L265 HydrophobicContact CD1-CD1 3.55Å; I252-L265 HydrophobicContact CG1-CD1 4.07Å; I260-L265 HydrophobicContact CD1-CD2 3.74Å; I260-L265 HydrophobicContact CD1-CG 4.14Å; I260-L265 HydrophobicContact CG1-CD1 4.37Å; I260-L265 HydrophobicContact CG1-CD2 4.31Å; I260-L265 HydrophobicContact CG1-CG 4.16Å; I260-L265 HydrophobicContact CG2-CD1 4.12Å; S261-L265 PolarHBondContact O-N 3Å; V262-L265 WeakPolarHBondContact O-CB 3.31Å; V262-L265 PolarHBondContact O-N 2.9Å; E263-L265 PolarHBondContact O-N 2.93Å; L265-F268 PolarHBondContact O-N 3.46Å
266I83Confident83.4Confident21 Ų2152.5 Ų52.511%0.10828%0.276CS..Hα-helixtrans-62.9-43177.1-70.8162.5000111.5V262 E263 F268 L269 F284 I336V262-I266 HydrophobicContact CG1-CD1 3.82Å; V262-I266 HydrophobicContact CG1-CG1 4.48Å; V262-I266 WeakPolarHBondContact O-CG1 3.23Å; V262-I266 PolarHBondContact O-N 3.32Å; E263-I266 WeakPolarHBondContact O-CB 3.36Å; E263-I266 PolarHBondContact O-N 3.06Å; E263-I266 VanDerWaalsContact O-N 3.09Å; I266-F268 PolarHBondContact O-N 3.3Å; I266-F268 VanDerWaalsContact O-N 3.07Å; I266-L269 PolarHBondContact O-N 3.15Å; I266-F284 HydrophobicContact CB-CE1 4.38Å; I266-F284 HydrophobicContact CB-CE2 4.46Å; I266-F284 HydrophobicContact CB-CZ 4.19Å; I266-F284 HydrophobicContact CG1-CD1 3.84Å; I266-F284 HydrophobicContact CG1-CD2 4.22Å; I266-F284 HydrophobicContact CG1-CE1 3.84Å; I266-F284 HydrophobicContact CG1-CE2 4.22Å; I266-F284 HydrophobicContact CG1-CG 4.03Å; I266-F284 HydrophobicContact CG1-CZ 4.03Å; I266-F284 HydrophobicContact CG2-CE2 4.17Å; I266-F284 HydrophobicContact CG2-CZ 4.32Å; I266-I336 HydrophobicContact CD1-CD1 3.97Å; I266-I336 HydrophobicContact CD1-CG1 4.2Å; I266-I336 HydrophobicContact CD1-CG2 3.99Å; I266-I336 HydrophobicContact CG2-CD1 3.84Å
267L85.3Confident83.1Confident72 Ų7251 Ų5138%0.37727%0.268SS..Hα-helixtrans-55.1-28.1-179.6-73.7171.7000113.9E263 L269 D270 H273E263-L267 WeakPolarHBondContact O-CG 3.22Å; E263-L267 PolarHBondContact O-N 3.17Å; L267-L269 PolarHBondContact O-N 3.08Å; L267-L269 VanDerWaalsContact O-N 3.14Å; L267-D270 PolarHBondContact O-N 2.88Å; L267-H273 WeakPolarHBondContact O-CB 3.13Å; L267-H273 PolarHBondContact O-ND1 2.88Å; L267-H273 VanDerWaalsContact O-ND1 3.12Å
268F86.8Confident83Confident27 Ų2753.6 Ų53.612%0.11828%0.275CS..THydrogen-bonded Turntrans-61.7-22177.2-73.1-75.7000114.1I221 M224 L225 S228 R264 L265 I266I221-F268 HydrophobicContact CG2-CZ 3.96Å; M224-F268 HydrophobicContact CB-CB 4.19Å; M224-F268 HydrophobicContact CB-CD2 3.68Å; M224-F268 HydrophobicContact CB-CE2 4.23Å; M224-F268 HydrophobicContact CB-CG 3.92Å; M224-F268 HydrophobicContact CE-CB 4.41Å; M224-F268 HydrophobicContact CG-CD2 4.42Å; L225-F268 HydrophobicContact CB-CD1 4.25Å; L225-F268 HydrophobicContact CB-CE1 4.06Å; L225-F268 HydrophobicContact CD1-CD1 4.18Å; L225-F268 HydrophobicContact CD1-CE1 4.11Å; S228-F268 WeakPolarHBondContact CB-O 3.49Å; R264-F268 WeakPolarHBondContact O-CD2 3.38Å; R264-F268 VanDerWaalsContact O-CE2 3.25Å; R264-F268 WeakPolarHBondContact O-CE2 3.25Å; L265-F268 PolarHBondContact O-N 3.46Å; I266-F268 PolarHBondContact O-N 3.3Å; I266-F268 VanDerWaalsContact O-N 3.07Å
269L84.4Confident82.3Confident1 Ų155 Ų551%0.00529%0.289CS..THydrogen-bonded Turntrans-108.47.9179.8-58.2-173.8000114.2M224 F227 V241 I266 L267 C274 L277 K282 F284M224-L269 HydrophobicContact CE-CD1 4.47Å; M224-L269 HydrophobicContact CE-CG 4.38Å; F227-L269 HydrophobicContact CD1-CD1 4.21Å; F227-L269 HydrophobicContact CD1-CD2 4.02Å; F227-L269 HydrophobicContact CE1-CD1 3.98Å; F227-L269 HydrophobicContact CE1-CD2 4.4Å; V241-L269 HydrophobicContact CG2-CD1 3.52Å; I266-L269 PolarHBondContact O-N 3.15Å; L267-L269 PolarHBondContact O-N 3.08Å; L267-L269 VanDerWaalsContact O-N 3.14Å; L269-C274 HydrophobicContact CD2-CB 4.31Å; L269-L277 HydrophobicContact CB-CD1 4.3Å; L269-L277 HydrophobicContact CD1-CD1 4.5Å; L269-L277 HydrophobicContact CD2-CD1 3.99Å; L269-L277 HydrophobicContact CG-CD1 4.5Å; L269-K282 WeakPolarHBondContact O-CD 3.46Å; L269-K282 PolarHBondContact O-NZ 2.9Å; L269-F284 HydrophobicContact CB-CZ 4.12Å; L269-F284 HydrophobicContact CD1-CE1 4.4Å; L269-F284 HydrophobicContact CD1-CE2 4.45Å; L269-F284 HydrophobicContact CD1-CZ 3.78Å; L269-F284 HydrophobicContact CG-CZ 4.16Å
270D79.7Confident82Confident31 Ų3154.3 Ų54.317%0.16628%0.283CS..SBendtrans-65.4172.4173.576.720.9000112L267 H272 H273 C274L267-D270 PolarHBondContact O-N 2.88Å; D270-H272 PolarHBondContact O-N 3.39Å; D270-H272 WeakPolarHBondContact OD1-CA 3.26Å; D270-H272 WeakPolarHBondContact OD1-CB 3.31Å; D270-H272 PolarHBondContact OD1-N 2.69Å; D270-H273 IonicContact OD1-CE1 2.78Å; D270-H273 IonicContact OD1-CG 2.7Å; D270-H273 PolarHBondContact OD1-N 2.62Å; D270-H273 IonicContact OD1-ND1 3.42Å; D270-H273 PolarHBondContact OD1-ND1 3.02Å; D270-H273 IonicContact OD2-CE1 3.18Å; D270-H273 IonicContact OD2-ND1 2.71Å; D270-H273 PolarHBondContact OD2-ND1 3.21Å; D270-C274 PolarHBondContact O-N 3.45Å
271A72.8Confident81.7Confident60 Ų6055.5 Ų55.550%0.49629%0.291SS..THydrogen-bonded Turntrans-63.6-19.8-178.500000114.3I278A271-I278 HydrophobicContact CB-CG1 4Å
272H74.2Confident81.8Confident147 Ų14755.5 Ų55.568%0.68129%0.287SS*.THydrogen-bonded Turntrans-89.4-45.6-177.9176.5-94.2000111.5D270D270-H272 PolarHBondContact O-N 3.39Å; D270-H272 WeakPolarHBondContact OD1-CA 3.26Å; D270-H272 WeakPolarHBondContact OD1-CB 3.31Å; D270-H272 PolarHBondContact OD1-N 2.69Å
273H81Confident82Confident92 Ų9256.1 Ų56.143%0.42629%0.289SS..THydrogen-bonded Turntrans-88.6-21.8-175.9-57.997.5000113.4L267 D270L267-H273 WeakPolarHBondContact O-CB 3.13Å; L267-H273 PolarHBondContact O-ND1 2.88Å; L267-H273 VanDerWaalsContact O-ND1 3.12Å; D270-H273 IonicContact OD1-CE1 2.78Å; D270-H273 IonicContact OD1-CG 2.7Å; D270-H273 PolarHBondContact OD1-N 2.62Å; D270-H273 IonicContact OD1-ND1 3.42Å; D270-H273 PolarHBondContact OD1-ND1 3.02Å; D270-H273 IonicContact OD2-CE1 3.18Å; D270-H273 IonicContact OD2-ND1 2.71Å; D270-H273 PolarHBondContact OD2-ND1 3.21Å
274C86.5Confident82.3Confident1 Ų151.7 Ų51.71%0.00727%0.268CS..  trans-130.475.7172-165.40000112.2S228 L269 D270 A276 L277S228-C274 PolarHBondContact O-SG 3.41Å; L269-C274 HydrophobicContact CD2-CB 4.31Å; D270-C274 PolarHBondContact O-N 3.45Å; C274-A276 PolarHBondContact O-N 3.24Å; C274-L277 HydrophobicContact CB-CB 4.41Å; C274-L277 HydrophobicContact CB-CD1 4.38Å; C274-L277 PolarHBondContact O-N 2.66Å; C274-L277 VanDerWaalsContact SG-CG 3.59Å
275P84.3Confident82.1Confident85 Ų8545.5 Ų45.555%0.55225%0.245SC*.G310 helixtrans-56.2-26.5178.5-27.836.3000114.4L277 I278P275-L277 PolarHBondContact O-N 3.04Å; P275-I278 HydrophobicContact CB-CD1 4.13Å; P275-I278 WeakPolarHBondContact O-CG1 3.46Å; P275-I278 PolarHBondContact O-N 3.33Å
276A87.9Confident81.9Confident21 Ų2145.6 Ų45.617%0.17425%0.246CC..G310 helixtrans-65.9-15.817600000114.3H233 Q234 C274 K280H233-A276 HydrophobicContact CB-CB 3.71Å; Q234-A276 HydrophobicContact CG-CB 3.72Å; C274-A276 PolarHBondContact O-N 3.24Å; A276-K280 PolarHBondContact O-NZ 3.14Å
277L84.8Confident81.5Confident0 Ų044.6 Ų44.60%024%0.241CC..G310 helixtrans-108.913.2177.3-67.6178.4000113.6H233 A239 L269 C274 P275 N279 K280 K282H233-L277 HydrophobicContact CB-CD2 4.05Å; H233-L277 HydrophobicContact CB-CG 4.17Å; A239-L277 HydrophobicContact CB-CD1 3.67Å; A239-L277 HydrophobicContact CB-CD2 4.04Å; L269-L277 HydrophobicContact CB-CD1 4.3Å; L269-L277 HydrophobicContact CD1-CD1 4.5Å; L269-L277 HydrophobicContact CD2-CD1 3.99Å; L269-L277 HydrophobicContact CG-CD1 4.5Å; C274-L277 HydrophobicContact CB-CB 4.41Å; C274-L277 HydrophobicContact CB-CD1 4.38Å; C274-L277 PolarHBondContact O-N 2.66Å; C274-L277 VanDerWaalsContact SG-CG 3.59Å; P275-L277 PolarHBondContact O-N 3.04Å; L277-N279 PolarHBondContact O-N 3.15Å; L277-K280 HydrophobicContact CB-CB 4.49Å; L277-K280 HydrophobicContact CD2-CB 4.12Å; L277-K280 HydrophobicContact CD2-CD 4.14Å; L277-K280 PolarHBondContact O-N 3.38Å; L277-K280 VanDerWaalsContact O-N 3.14Å; L277-K282 PolarHBondContact O-NZ 2.89Å
278I80.6Confident80.7Confident81 Ų8142 Ų4242%0.41523%0.23SC..THydrogen-bonded Turntrans-57.5133.4170.5-69.9168.5000109.2A271 P275 K280A271-I278 HydrophobicContact CB-CG1 4Å; P275-I278 HydrophobicContact CB-CD1 4.13Å; P275-I278 WeakPolarHBondContact O-CG1 3.46Å; P275-I278 PolarHBondContact O-N 3.33Å; I278-K280 PolarHBondContact O-N 2.69Å
279N73.2Confident79.3Confident159 Ų15942.9 Ų42.985%0.8524%0.239SC*.THydrogen-bonded Turntrans56.722-176.2-54.9-15.6000115.4L277L277-N279 PolarHBondContact O-N 3.15Å
280K80.7Confident77.5Confident44 Ų4447.2 Ų47.219%0.19126%0.255CS..SBendtrans-117.4133.7178.1-69.1-177.3-171174.90111.7H233 Q234 C236 D237 A276 L277 I278 K282H233-K280 PolarHBondContact O-NZ 3.49Å; Q234-K280 PolarHBondContact O-NZ 2.88Å; C236-K280 WeakPolarHBondContact O-CD 3.31Å; C236-K280 VanDerWaalsContact O-CE 3.23Å; C236-K280 WeakPolarHBondContact O-CE 3.01Å; C236-K280 PolarHBondContact O-NZ 3.19Å; D237-K280 WeakPolarHBondContact O-CB 3.45Å; D237-K280 WeakPolarHBondContact O-CG 3.29Å; A276-K280 PolarHBondContact O-NZ 3.14Å; L277-K280 HydrophobicContact CB-CB 4.49Å; L277-K280 HydrophobicContact CD2-CB 4.12Å; L277-K280 HydrophobicContact CD2-CD 4.14Å; L277-K280 PolarHBondContact O-N 3.38Å; L277-K280 VanDerWaalsContact O-N 3.14Å; I278-K280 PolarHBondContact O-N 2.69Å; K280-K282 PolarHBondContact O-NZ 2.84Å
281P79.8Confident75.4Confident31 Ų3147.5 Ų47.520%0.20127%0.266CS..  trans-59145.5-179-25.734000114.6Y164 D237 S238 A239Y164-P281 HydrophobicContact CD2-CG 3.58Å; Y164-P281 HydrophobicContact CE2-CG 4.15Å; Y164-P281 HydrophobicContact CG-CG 3.92Å; D237-P281 WeakPolarHBondContact O-CD 3.36Å; S238-P281 WeakPolarHBondContact CA-O 3.48Å; A239-P281 PolarHBondContact N-O 2.93Å
282K85.6Confident73.4Confident38 Ų3848.3 Ų48.317%0.16527%0.268CS..EExtended strand (participates in β ladder)trans-131.8105.4-175.9-52.2152.2-143.6-490109.1A239 L269 L277 K280 F284A239-K282 WeakPolarHBondContact O-CA 3.38Å; L269-K282 WeakPolarHBondContact O-CD 3.46Å; L269-K282 PolarHBondContact O-NZ 2.9Å; L277-K282 PolarHBondContact O-NZ 2.89Å; K280-K282 PolarHBondContact O-NZ 2.84Å; K282-F284 HydrophobicContact CB-CD2 4.45Å; K282-F284 HydrophobicContact CB-CE2 4.02Å
283L84Confident71.4Confident25 Ų2549.4 Ų49.413%0.13127%0.272CS..EExtended strand (participates in β ladder)trans-98.6114.8-176.5-54.5-176.4000110.7A239 V240 V241 F285 V366A239-L283 PolarHBondContact O-N 2.82Å; V240-L283 CarbonylContact C-O 3.55Å; V240-L283 WeakPolarHBondContact CA-O 3.23Å; V240-L283 HydrophobicContact CG1-CB 4.43Å; V240-L283 HydrophobicContact CG2-CB 4.25Å; V240-L283 HydrophobicContact CG2-CD1 4.34Å; V241-L283 PolarHBondContact N-O 3.03Å; L283-F285 HydrophobicContact CB-CD2 4.39Å; L283-F285 HydrophobicContact CB-CE2 3.73Å; L283-F285 HydrophobicContact CB-CZ 4.39Å; L283-F285 HydrophobicContact CD1-CE2 4.4Å; L283-V366 HydrophobicContact CD1-CG1 4.4Å; L283-V366 HydrophobicContact CD1-CG2 3.98Å; L283-V366 HydrophobicContact CD2-CG1 3.85Å; L283-V366 HydrophobicContact CD2-CG2 4.4Å
284F83.4Confident68.8Low12 Ų1249.9 Ų49.95%0.05328%0.278CS..EExtended strand (participates in β ladder)trans-105.2118.8176.3-73.5-90.8000111.1M224 V241 I266 L269 K282M224-F284 HydrophobicContact CE-CE1 4.12Å; V241-F284 HydrophobicContact CB-CD1 3.74Å; V241-F284 HydrophobicContact CB-CE1 3.82Å; V241-F284 HydrophobicContact CG1-CD1 4.08Å; V241-F284 HydrophobicContact CG1-CE1 4.1Å; V241-F284 HydrophobicContact CG2-CD1 4.33Å; V241-F284 HydrophobicContact CG2-CE1 3.93Å; V241-F284 HydrophobicContact CG2-CZ 4.41Å; V241-F284 CarbonylContact O-C 3.49Å; V241-F284 WeakPolarHBondContact O-CA 3.32Å; I266-F284 HydrophobicContact CB-CE1 4.38Å; I266-F284 HydrophobicContact CB-CE2 4.46Å; I266-F284 HydrophobicContact CB-CZ 4.19Å; I266-F284 HydrophobicContact CG1-CD1 3.84Å; I266-F284 HydrophobicContact CG1-CD2 4.22Å; I266-F284 HydrophobicContact CG1-CE1 3.84Å; I266-F284 HydrophobicContact CG1-CE2 4.22Å; I266-F284 HydrophobicContact CG1-CG 4.03Å; I266-F284 HydrophobicContact CG1-CZ 4.03Å; I266-F284 HydrophobicContact CG2-CE2 4.17Å; I266-F284 HydrophobicContact CG2-CZ 4.32Å; L269-F284 HydrophobicContact CB-CZ 4.12Å; L269-F284 HydrophobicContact CD1-CE1 4.4Å; L269-F284 HydrophobicContact CD1-CE2 4.45Å; L269-F284 HydrophobicContact CD1-CZ 3.78Å; L269-F284 HydrophobicContact CG-CZ 4.16Å; K282-F284 HydrophobicContact CB-CD2 4.45Å; K282-F284 HydrophobicContact CB-CE2 4.02Å
285F81.8Confident66Low6 Ų653.3 Ų53.33%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-114.793.6176.9-63.7-84.3000109.9F202 V240 V241 V242 I243 L283 I353 F357 L370F202-F285 HydrophobicContact CZ-CD2 4.32Å; F202-F285 AromaticContact CZ-CE2 3.85Å; F202-F285 HydrophobicContact CZ-CE2 3.85Å; F202-F285 HydrophobicContact CZ-CZ 4.48Å; V240-F285 HydrophobicContact CG1-CD2 3.96Å; V240-F285 HydrophobicContact CG1-CE2 3.98Å; V241-F285 PolarHBondContact O-N 2.84Å; V242-F285 CarbonylContact C-O 3.56Å; V242-F285 WeakPolarHBondContact CA-O 3.39Å; V242-F285 HydrophobicContact CB-CB 4.33Å; V242-F285 HydrophobicContact CG1-CB 3.95Å; V242-F285 HydrophobicContact CG2-CB 4.14Å; V242-F285 HydrophobicContact CG2-CD2 4.12Å; I243-F285 PolarHBondContact N-O 2.78Å; L283-F285 HydrophobicContact CB-CD2 4.39Å; L283-F285 HydrophobicContact CB-CE2 3.73Å; L283-F285 HydrophobicContact CB-CZ 4.39Å; L283-F285 HydrophobicContact CD1-CE2 4.4Å; F285-I353 HydrophobicContact CD1-CD1 3.49Å; F285-I353 VanDerWaalsContact CD1-CD1 3.49Å; F285-I353 HydrophobicContact CD1-CG1 4.48Å; F285-I353 HydrophobicContact CE1-CD1 3.76Å; F285-I353 HydrophobicContact CE1-CG1 4.28Å; F285-I353 HydrophobicContact CE1-CG2 4.36Å; F285-F357 HydrophobicContact CE1-CZ 4.27Å; F285-F357 HydrophobicContact CZ-CE1 4.09Å; F285-F357 AromaticContact CZ-CZ 3.94Å; F285-F357 HydrophobicContact CZ-CZ 3.94Å; F285-L370 HydrophobicContact CE1-CD2 4.08Å
286V80.3Confident63.2Low4 Ų456.3 Ų56.32%0.02431%0.307CS..EExtended strand (participates in β ladder)trans-99.1109.1-176.6-174.60000110.6I243 I252 V262 A288I243-V286 HydrophobicContact CD1-CG2 4.39Å; I252-V286 HydrophobicContact CG2-CG1 4.05Å; V262-V286 HydrophobicContact CG1-CG2 3.94Å; V262-V286 HydrophobicContact CG2-CG1 4.22Å; V286-A288 HydrophobicContact CG1-CB 4.47Å
287Q75.7Confident60.3Low0 Ų057.8 Ų57.80%032%0.324CS..EExtended strand (participates in β ladder)trans-106.191.1173.7-170.168.785.400111R188 I243 L244 S245 A339 W340 R341 S347 I350R188-Q287 PolarHBondContact NH2-O 3.09Å; I243-Q287 PolarHBondContact O-N 2.8Å; L244-Q287 HydrophobicContact CD2-CB 3.8Å; S245-Q287 PolarHBondContact N-O 2.8Å; S245-Q287 VanDerWaalsContact O-O 3.11Å; Q287-A339 PolarHBondContact NE2-O 2.98Å; Q287-W340 VanDerWaalsContact NE2-C 3.25Å; Q287-R341 HydrophobicContact CG-CB 4.25Å; Q287-S347 PolarHBondContact OE1-OG 2.82Å; Q287-I350 HydrophobicContact CB-CD1 4.43Å; Q287-I350 HydrophobicContact CB-CG1 4.5Å; Q287-I350 HydrophobicContact CG-CG1 4.45Å
288A67.8Low57.5Low18 Ų1868.4 Ų68.415%0.14936%0.364CS..  trans-130161.617400000111.8S245 I252 V286S245-A288 WeakPolarHBondContact O-CA 3.44Å; I252-A288 HydrophobicContact CB-CB 4.49Å; I252-A288 HydrophobicContact CG2-CB 3.47Å; I252-A288 VanDerWaalsContact CG2-CB 3.47Å; V286-A288 HydrophobicContact CG1-CB 4.47Å
289C57.3Low55Low44 Ų4468.7 Ų68.730%0.29736%0.363SS..  trans-71.2159.6165.4-530000109.1G247 L248G247-C289 CarbonylContact C-O 3.51Å; G247-C289 VanDerWaalsContact CA-O 3.24Å; G247-C289 WeakPolarHBondContact CA-O 3.41Å; G247-C289 CarbonylContact O-C 3.38Å; L248-C289 PolarHBondContact N-O 3.22Å
290R45.7Very low52.9Low92 Ų9268.3 Ų68.335%0.34736%0.36SS..  trans-103.826.6169.7-73.1-168.4176.8-172.80.2112.9
291G37.1Very low50.4Low38 Ų3870.8 Ų70.839%0.39238%0.375SS..  trans85.4-163.2-171.300000113.6G247G247-G291 PolarHBondContact O-N 2.83Å; G247-G291 VanDerWaalsContact O-N 3.16Å
292S30.6Very low48.1Very low77 Ų7774.4 Ų74.454%0.53841%0.408SS..SBendtrans-123.428.3-176.665.20000112.8R914S292-R914 VanDerWaalsContact CB-NH2 3.35Å; S292-R914 PolarHBondContact OG-NH2 2.94Å
293H31Very low45.6Very low169 Ų16980.9 Ų80.978%0.78244%0.439SS*.SBendtrans-127145.9175-74.6-73.1000108.3D295H293-D295 PolarHBondContact O-N 3.5Å
294L27.2Very low43.1Very low102 Ų10285.5 Ų85.553%0.53446%0.463SS..  trans-64.2128.2166.9-71.1160.4000108.3L296 H768L294-L296 PolarHBondContact O-N 2.82Å; L294-H768 HydrophobicContact CD2-CB 4.12Å
295D27.2Very low40.6Very low74 Ų7492.6 Ų92.640%0.39650%0.497SS..  trans-59.3109.6166-97.8-36.5000107.9H249 H293 G297H249-D295 IonicContact CE1-OD2 2.64Å; H249-D295 IonicContact CG-OD1 3.61Å; H249-D295 IonicContact CG-OD2 2.65Å; H249-D295 IonicContact ND1-OD1 2.64Å; H249-D295 PolarHBondContact ND1-OD1 3.39Å; H249-D295 IonicContact ND1-OD2 3.65Å; H249-D295 PolarHBondContact ND1-OD2 2.79Å; H293-D295 PolarHBondContact O-N 3.5Å; D295-G297 PolarHBondContact O-N 3.02Å
296L25.4Very low38.2Very low148 Ų14897.6 Ų97.678%0.77553%0.528SS*.  trans-73.9115157.6-64.4165.4000105L294 R298L294-L296 PolarHBondContact O-N 2.82Å; L296-R298 PolarHBondContact O-N 3.42Å
297G28Very low35.9Very low52 Ų52101.8 Ų101.854%0.53655%0.553SS.*  trans-54.4137.6174.200000109.7D295D295-G297 PolarHBondContact O-N 3.02Å
298R25.7Very low33.9Very low223 Ų223111.6 Ų111.684%0.84259%0.59SS**  trans-85.3122.4177.8-171.1-173.2175.4177.5-1.5108.6L296 I300L296-R298 PolarHBondContact O-N 3.42Å; R298-I300 PolarHBondContact O-N 2.88Å
299E27.6Very low32.1Very low86 Ų86113.9 Ų113.940%0.40260%0.602SS.*  trans-44.7130.216450.949.4-75.200109.8E974E299-E974 WeakPolarHBondContact CA-OE1 3.49Å; E299-E974 WeakPolarHBondContact CB-OE1 3.43Å; E299-E974 VanDerWaalsContact CD-CG 3.44Å; E299-E974 WeakPolarHBondContact OE1-CG 3.31Å; E299-E974 WeakPolarHBondContact OE2-CG 3.39Å
300I29Very low30.8Very low152 Ų152114.8 Ų114.878%0.77961%0.609SS**  trans-99.798.5166.9-60.7178.6000105.3R298 A302R298-I300 PolarHBondContact O-N 2.88Å; I300-A302 PolarHBondContact O-N 3.26Å
301D28.6Very low30.2Very low96 Ų96114.8 Ų114.851%0.51362%0.619SS.*  trans-52.1131.7-179.8-62.2-58.4000110.8E303D301-E303 PolarHBondContact O-N 3.3Å
302A30.5Very low30Very low106 Ų106117.8 Ų117.888%0.87663%0.625SS**THydrogen-bonded Turntrans-75.531.7-173.100000114.6I300I300-A302 PolarHBondContact O-N 3.26Å
303E33.3Very low30.1Very low175 Ų175118.3 Ų118.382%0.81862%0.621SS**THydrogen-bonded Turntrans-118.1-6.9179.7-63.6-163.6154.600114D301 E305D301-E303 PolarHBondContact O-N 3.3Å; E303-E305 VanDerWaalsContact C-N 3.33Å; E303-E305 PolarHBondContact O-N 3Å
304D31.8Very low30.1Very low121 Ų121118.1 Ų118.165%0.64762%0.618SS**THydrogen-bonded Turntrans-8610.6-174.2-118.8-9.2000115.2V306D304-V306 PolarHBondContact O-N 3.21Å
305E31.2Very low30.3Very low161 Ų161119.4 Ų119.475%0.75263%0.625SS**Hα-helixtrans-61.8-29.3174.4-80.6-160.9133.500112.7E303 V307 V309E303-E305 VanDerWaalsContact C-N 3.33Å; E303-E305 PolarHBondContact O-N 3Å; E305-V307 PolarHBondContact O-N 3.07Å; E305-V309 WeakPolarHBondContact O-CB 3.27Å; E305-V309 WeakPolarHBondContact O-CG2 3.39Å; E305-V309 PolarHBondContact O-N 2.88Å
306V30.8Very low30.6Very low112 Ų112121.9 Ų121.968%0.67964%0.637SS**Hα-helixtrans-70-27.5-169.3-174.10000113.2D304 S310D304-V306 PolarHBondContact O-N 3.21Å; V306-S310 PolarHBondContact O-N 2.65Å
307V31.7Very low30.8Very low92 Ų92119.5 Ų119.556%0.55863%0.629SS**Hα-helixtrans-84.1-38.3-176.6-176.30000112.4E305 S310E305-V307 PolarHBondContact O-N 3.07Å; V307-S310 PolarHBondContact O-N 3.27Å; V307-S310 PolarHBondContact O-OG 2.92Å
308R35Very low30.9Very low205 Ų205125 Ų12577%0.77464%0.643SS**Hα-helixtrans-67.9-39.2173-75.5-178.1175.31650.4111.3S310 T311 L312R308-S310 PolarHBondContact O-N 3.29Å; R308-T311 PolarHBondContact O-N 3.07Å; R308-L312 PolarHBondContact O-N 3.37Å
309V30Very low31.2Very low67 Ų67120.8 Ų120.841%0.40664%0.637SS.*Hα-helixtrans-58.7-34.1172.51690000111.6E305 T311 L312 I313E305-V309 WeakPolarHBondContact O-CB 3.27Å; E305-V309 WeakPolarHBondContact O-CG2 3.39Å; E305-V309 PolarHBondContact O-N 2.88Å; V309-T311 VanDerWaalsContact C-N 3.28Å; V309-T311 PolarHBondContact O-N 3.34Å; V309-L312 PolarHBondContact O-N 2.96Å; V309-I313 HydrophobicContact CG1-CD1 3.37Å; V309-I313 HydrophobicContact CG1-CG1 3.87Å; V309-I313 VanDerWaalsContact O-CB 3.25Å; V309-I313 WeakPolarHBondContact O-CB 3.47Å; V309-I313 VanDerWaalsContact O-CG1 3.25Å; V309-I313 WeakPolarHBondContact O-CG1 3.45Å; V309-I313 PolarHBondContact O-N 2.94Å
310S29.8Very low31.3Very low62 Ų62125.7 Ų125.743%0.43466%0.659SS.*Hα-helixtrans-66.4-23.4174.880.90000115.2V306 V307 R308V306-S310 PolarHBondContact O-N 2.65Å; V307-S310 PolarHBondContact O-N 3.27Å; V307-S310 PolarHBondContact O-OG 2.92Å; R308-S310 PolarHBondContact O-N 3.29Å
311T33.1Very low31.7Very low92 Ų92124.9 Ų124.956%0.56466%0.657SS**Hα-helixtrans-91.4-34.5177-54.10000111.4R308 V309R308-T311 PolarHBondContact O-N 3.07Å; V309-T311 VanDerWaalsContact C-N 3.28Å; V309-T311 PolarHBondContact O-N 3.34Å
312L32.2Very low32.1Very low101 Ų101126.8 Ų126.853%0.52967%0.667SS.*Hα-helixtrans-71.2-40.3172-87137.5000112.5R308 V309 K314 L315 I316R308-L312 PolarHBondContact O-N 3.37Å; V309-L312 PolarHBondContact O-N 2.96Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 2.83Å; L312-L315 CarbonylContact O-C 3.56Å; L312-L315 WeakPolarHBondContact O-CA 3.47Å; L312-L315 WeakPolarHBondContact O-CB 3.35Å; L312-L315 PolarHBondContact O-N 3.18Å; L312-I316 HydrophobicContact CB-CD1 4.47Å; L312-I316 WeakPolarHBondContact O-CD1 3.18Å; L312-I316 VanDerWaalsContact O-CG1 3.25Å; L312-I316 WeakPolarHBondContact O-CG1 3.42Å; L312-I316 PolarHBondContact O-N 2.92Å; L312-I316 VanDerWaalsContact O-N 3.16Å
313I32.5Very low32.1Very low88 Ų88127.1 Ų127.145%0.45167%0.669SS.*Hα-helixtrans-62.3-37.8176.3-74.1177.8000111.2V309 L315 I316 T317V309-I313 HydrophobicContact CG1-CD1 3.37Å; V309-I313 HydrophobicContact CG1-CG1 3.87Å; V309-I313 VanDerWaalsContact O-CB 3.25Å; V309-I313 WeakPolarHBondContact O-CB 3.47Å; V309-I313 VanDerWaalsContact O-CG1 3.25Å; V309-I313 WeakPolarHBondContact O-CG1 3.45Å; V309-I313 PolarHBondContact O-N 2.94Å; I313-L315 PolarHBondContact O-N 3.21Å; I313-I316 PolarHBondContact O-N 3.24Å; I313-T317 HydrophobicContact CG2-CG2 4.26Å; I313-T317 WeakPolarHBondContact O-CG2 3.4Å; I313-T317 PolarHBondContact O-N 3.47Å; I313-T317 PolarHBondContact O-OG1 3.42Å
314K32.1Very low32.1Very low165 Ų165122.1 Ų122.172%0.71767%0.665SS**Hα-helixtrans-65.4-13.9172.2-81.6-175.8174.3179.90114.7L312L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 2.83Å
315L31.2Very low32Very low130 Ų130124.4 Ų124.468%0.68167%0.672SS**Hα-helixtrans-98.1-6.9172.6-70.6162.9000112.7L312 I313L312-L315 CarbonylContact O-C 3.56Å; L312-L315 WeakPolarHBondContact O-CA 3.47Å; L312-L315 WeakPolarHBondContact O-CB 3.35Å; L312-L315 PolarHBondContact O-N 3.18Å; I313-L315 PolarHBondContact O-N 3.21Å
316I33.5Very low32Very low126 Ų126124.2 Ų124.265%0.64668%0.675SS**Hα-helixtrans-106-6.7-177.2-66.8162.7000111.3L312 I313L312-I316 HydrophobicContact CB-CD1 4.47Å; L312-I316 WeakPolarHBondContact O-CD1 3.18Å; L312-I316 VanDerWaalsContact O-CG1 3.25Å; L312-I316 WeakPolarHBondContact O-CG1 3.42Å; L312-I316 PolarHBondContact O-N 2.92Å; L312-I316 VanDerWaalsContact O-N 3.16Å; I313-I316 PolarHBondContact O-N 3.24Å
317T30Very low31.9Very low98 Ų98130.8 Ų130.860%0.60169%0.688SS**  trans-112.951.1-177.261.60000113.5I313I313-T317 HydrophobicContact CG2-CG2 4.26Å; I313-T317 WeakPolarHBondContact O-CG2 3.4Å; I313-T317 PolarHBondContact O-N 3.47Å; I313-T317 PolarHBondContact O-OG1 3.42Å
318M29.9Very low31.7Very low168 Ų168135 Ų13583%0.82870%0.699SS**SBendtrans-133.3149.1171.5-68.8-170.567.100111.2
319D30.4Very low31.3Very low134 Ų134134.5 Ų134.572%0.71770%0.702SS**  trans-79.3159.7-152.7-155.9-7.6000115N321D319-N321 PolarHBondContact O-N 3.19Å
320E31.1Very low31.2Very low188 Ų188138.4 Ų138.488%0.87972%0.719SS**THydrogen-bonded Turntrans-73.114.9-164.3-62.7-170.5134.900115.9
321N36.5Very low31Very low136 Ų136140.2 Ų140.273%0.72773%0.729SS**THydrogen-bonded Turntrans-114.9-10.3-166.6-76.6-66.4000117.3D319 A323D319-N321 PolarHBondContact O-N 3.19Å; N321-A323 PolarHBondContact O-N 3.38Å
322D36.5Very low30.9Very low136 Ų136141.1 Ų141.173%0.72774%0.739SS**  trans-101.153.1-178.5-78.7-43.9000113.7G324 E325D322-G324 PolarHBondContact O-N 3.09Å; D322-E325 PolarHBondContact O-N 2.93Å
323A30.4Very low31Very low112 Ų112140.7 Ų140.793%0.92673%0.734SS**THydrogen-bonded Turntrans-68.129.7-172.900000116.7N321N321-A323 PolarHBondContact O-N 3.38Å
324G33.5Very low30.9Very low70 Ų70139.5 Ų139.572%0.72274%0.738SS**THydrogen-bonded Turntrans-124.3-19.9176.900000115.5D322D322-G324 PolarHBondContact O-N 3.09Å
325E30.7Very low31.1Very low170 Ų170136.6 Ų136.679%0.79473%0.73SS**  trans-104.790.7-171.7-69.6-151.7133.200113.9D322D322-E325 PolarHBondContact O-N 2.93Å
326L31.2Very low31.3Very low156 Ų156132.8 Ų132.882%0.81771%0.71SS**  trans-166.814151.6-109.7155.6000116.6K328L326-K328 PolarHBondContact O-N 3.45Å
327R28.3Very low31.4Very low251 Ų251129 Ų12995%0.94769%0.691SS**SBendtrans-6928.8175.8-71.4-177.7170.4172.4-2.7114.8
328K27.5Very low31.5Very low180 Ų180128 Ų12878%0.78368%0.681SS**  trans-151.3112.8-174.9-72177.2-179.9167.30112.4L326L326-K328 PolarHBondContact O-N 3.45Å
329K26.2Very low31.7Very low194 Ų194120.9 Ų120.984%0.84365%0.649SS**  trans174.6101.4137.2-96.8157.3-173.8173.50110.6
330I27.7Very low31.8Very low150 Ų150122.7 Ų122.777%0.76965%0.646SS**  trans-80.6140.5167.1-59.1170.9000107.8S332I330-S332 PolarHBondContact O-N 2.86Å
331P26Very low31.9Very low100 Ų100116.6 Ų116.665%0.64962%0.615SS**  trans-59.6135.6174.3-2233.2000111.8Q333P331-Q333 PolarHBondContact O-N 3.49Å
332S31.5Very low31.5Very low110 Ų110113.7 Ų113.777%0.76960%0.599SS**THydrogen-bonded Turntrans-69.2-2.9-174.350.50000115.6I330I330-S332 PolarHBondContact O-N 2.86Å
333Q34.8Very low31.3Very low92 Ų92111 Ų11143%0.4359%0.591SS.*THydrogen-bonded Turntrans-131.517.6-173.6-66.7-176.5-14.900113.5E263 P331 D335 I336E263-Q333 PolarHBondContact OE1-NE2 3.15Å; P331-Q333 PolarHBondContact O-N 3.49Å; Q333-D335 PolarHBondContact O-N 2.9Å; Q333-I336 HydrophobicContact CB-CD1 4Å; Q333-I336 HydrophobicContact CG-CD1 4.37Å
334A29.2Very low31.4Very low64 Ų64110.4 Ų110.453%0.52958%0.576SS.*THydrogen-bonded Turntrans-66.5-7.9-170.600000116.8
335D35.9Very low31.5Very low103 Ų103111.2 Ų111.255%0.55156%0.557SS**THydrogen-bonded Turntrans-118.820-163.4-55.4-31.2000115.4Q333Q333-D335 PolarHBondContact O-N 2.9Å
336I35.9Very low32.1Very low50 Ų50103.1 Ų103.126%0.25652%0.52SS..  trans-110.3121-166.9-61.3144.4000113.1I266 Q333 I338I266-I336 HydrophobicContact CD1-CD1 3.97Å; I266-I336 HydrophobicContact CD1-CG1 4.2Å; I266-I336 HydrophobicContact CD1-CG2 3.99Å; I266-I336 HydrophobicContact CG2-CD1 3.84Å; Q333-I336 HydrophobicContact CB-CD1 4Å; Q333-I336 HydrophobicContact CG-CD1 4.37Å; I336-I338 HydrophobicContact CG2-CD1 4.45Å; I336-I338 HydrophobicContact CG2-CG1 4.36Å
337L36.6Very low33.4Very low47 Ų4795.7 Ų95.725%0.24648%0.481CS..EExtended strand (participates in β ladder)trans-127.9137179.2-79.8160.4000112.4L370L337-L370 HydrophobicContact CD1-CB 4.06Å; L337-L370 HydrophobicContact CD1-CD1 3.48Å; L337-L370 VanDerWaalsContact CD1-CD1 3.48Å; L337-L370 HydrophobicContact CD1-CG 4.32Å
338I31Very low34.6Very low76 Ų7689.1 Ų89.139%0.3946%0.456SS..EExtended strand (participates in β ladder)trans-135.6131.9-170.2-54.8176.6000111.2I336I336-I338 HydrophobicContact CG2-CD1 4.45Å; I336-I338 HydrophobicContact CG2-CG1 4.36Å
339A34.2Very low36.3Very low19 Ų1981.3 Ų81.316%0.15742%0.422CS..  trans-144.1173.8-178.400000115.2Q287 F349Q287-A339 PolarHBondContact NE2-O 2.98Å; A339-F349 HydrophobicContact CB-CB 4.24Å; A339-F349 HydrophobicContact CB-CD1 3.81Å; A339-F349 HydrophobicContact CB-CD2 3.42Å; A339-F349 VanDerWaalsContact CB-CD2 3.42Å; A339-F349 HydrophobicContact CB-CE1 3.84Å; A339-F349 HydrophobicContact CB-CE2 3.47Å; A339-F349 VanDerWaalsContact CB-CE2 3.47Å; A339-F349 HydrophobicContact CB-CG 3.57Å; A339-F349 HydrophobicContact CB-CZ 3.65Å
340W32.3Very low38.5Very low172 Ų17272 Ų7265%0.65238%0.382SS*.  trans-107.3162.8-154.5-66.845.2000115.7Q287Q287-W340 VanDerWaalsContact NE2-C 3.25Å
341R33.1Very low40.4Very low61 Ų6166.6 Ų66.623%0.2335%0.353CS..  trans-111.7151.2-163.5171.2174.2175.1-129.1-2.4115.7S189 Q287 S343S189-R341 PolarHBondContact O-NH2 3.08Å; Q287-R341 HydrophobicContact CG-CB 4.25Å; R341-S343 PolarHBondContact NH2-O 3.34Å
342N29.2Very low42.2Very low74 Ų7462.4 Ų62.440%0.39633%0.328SS..  trans-99.6143.7159.6-176.7-65.2000111.2T344N342-T344 PolarHBondContact OD1-N 3.22Å
343S31.5Very low44.3Very low80 Ų8057.2 Ų57.256%0.55929%0.291SS*.SBendtrans-82.6-21.9-166.549.40000116.6R341R341-S343 PolarHBondContact NH2-O 3.34Å
344T32.4Very low46.6Very low100 Ų10052.8 Ų52.861%0.61327%0.27SS*.SBendtrans-117.5-27.1-168.251.10000116N342N342-T344 PolarHBondContact OD1-N 3.22Å
345R36.6Very low48.8Very low86 Ų8656.1 Ų56.133%0.32528%0.275SS..SBendtrans-116.918.3-168.9-58.6178.581.9151.52.8114.6T139 Q351T139-R345 PolarHBondContact OG1-NH2 2.89Å; R345-Q351 PolarHBondContact O-NE2 3.44Å
346G43.7Very low50.6Low1 Ų152.1 Ų52.11%0.0125%0.254CS..SBendtrans83.6172.4-161.700000111.6D194D194-G346 WeakPolarHBondContact OD1-CA 3.45Å
347S57.7Low53Low0 Ų050 Ų500%024%0.243CC..  trans-77.9131.8178.3175.70000111.7D194 Q287 F349 I350 Q351D194-S347 VanDerWaalsContact CG-N 3.32Å; D194-S347 PolarHBondContact OD1-N 3.24Å; D194-S347 PolarHBondContact OD2-N 3.09Å; D194-S347 VanDerWaalsContact OD2-N 3.08Å; Q287-S347 PolarHBondContact OE1-OG 2.82Å; S347-F349 VanDerWaalsContact C-N 3.28Å; S347-F349 PolarHBondContact O-N 3.03Å; S347-F349 PolarHBondContact OG-N 3.04Å; S347-F349 VanDerWaalsContact OG-N 3.12Å; S347-I350 PolarHBondContact O-N 2.69Å; S347-I350 PolarHBondContact OG-N 3.17Å; S347-Q351 WeakPolarHBondContact O-CG 3.39Å; S347-Q351 PolarHBondContact O-N 3.22Å
348W53.7Low55.3Low113 Ų11348.5 Ų48.543%0.42824%0.236SC..Hα-helixtrans-62.7-35.8170.8177.830000111.8Q351 A352 M376 R514W348-Q351 PolarHBondContact O-N 3.17Å; W348-A352 VanDerWaalsContact O-CB 3.3Å; W348-A352 WeakPolarHBondContact O-CB 3.46Å; W348-A352 PolarHBondContact O-N 2.81Å; W348-M376 HydrophobicContact CH2-CE 3.74Å; W348-M376 HydrophobicContact CZ3-CE 4.33Å; W348-R514 VanDerWaalsContact CD1-NH1 3.28Å
349F62.1Low57.7Low15 Ų1549.4 Ų49.47%0.06624%0.237CC..Hα-helixtrans-63.1-43.3174.8174.1-120.7000112.1A339 S347 A352 I353 T373A339-F349 HydrophobicContact CB-CB 4.24Å; A339-F349 HydrophobicContact CB-CD1 3.81Å; A339-F349 HydrophobicContact CB-CD2 3.42Å; A339-F349 VanDerWaalsContact CB-CD2 3.42Å; A339-F349 HydrophobicContact CB-CE1 3.84Å; A339-F349 HydrophobicContact CB-CE2 3.47Å; A339-F349 VanDerWaalsContact CB-CE2 3.47Å; A339-F349 HydrophobicContact CB-CG 3.57Å; A339-F349 HydrophobicContact CB-CZ 3.65Å; S347-F349 VanDerWaalsContact C-N 3.28Å; S347-F349 PolarHBondContact O-N 3.03Å; S347-F349 PolarHBondContact OG-N 3.04Å; S347-F349 VanDerWaalsContact OG-N 3.12Å; F349-A352 PolarHBondContact O-N 3.38Å; F349-I353 HydrophobicContact CD1-CD1 3.75Å; F349-I353 HydrophobicContact CD2-CD1 4Å; F349-I353 HydrophobicContact CD2-CG1 4.26Å; F349-I353 HydrophobicContact CE1-CD1 3.41Å; F349-I353 VanDerWaalsContact CE1-CD1 3.41Å; F349-I353 HydrophobicContact CE2-CD1 3.67Å; F349-I353 HydrophobicContact CE2-CG1 4.03Å; F349-I353 HydrophobicContact CG-CD1 4.06Å; F349-I353 HydrophobicContact CZ-CD1 3.4Å; F349-I353 HydrophobicContact CZ-CG1 4.22Å; F349-I353 WeakPolarHBondContact O-CG1 3.45Å; F349-I353 PolarHBondContact O-N 3.08Å; F349-T373 HydrophobicContact CD2-CG2 3.82Å; F349-T373 HydrophobicContact CE2-CG2 3.8Å
350I74.2Confident60Low0 Ų050.8 Ų50.80%024%0.239CC..Hα-helixtrans-66.6-40.1176.8-61.6-55.2000111.4D194 L198 L244 Q287 S347 I353 C354D194-I350 HydrophobicContact CB-CB 4.34Å; D194-I350 HydrophobicContact CB-CG1 4.44Å; D194-I350 HydrophobicContact CB-CG2 3.91Å; L198-I350 HydrophobicContact CD1-CD1 4.17Å; L198-I350 HydrophobicContact CD1-CG1 4.5Å; L198-I350 HydrophobicContact CD1-CG2 3.68Å; L198-I350 HydrophobicContact CD2-CD1 4.43Å; L198-I350 HydrophobicContact CD2-CG2 3.99Å; L198-I350 HydrophobicContact CG-CG2 3.63Å; L244-I350 HydrophobicContact CD2-CD1 4.09Å; L244-I350 HydrophobicContact CD2-CG1 4.11Å; Q287-I350 HydrophobicContact CB-CD1 4.43Å; Q287-I350 HydrophobicContact CB-CG1 4.5Å; Q287-I350 HydrophobicContact CG-CG1 4.45Å; S347-I350 PolarHBondContact O-N 2.69Å; S347-I350 PolarHBondContact OG-N 3.17Å; I350-I353 HydrophobicContact CD1-CD1 4.19Å; I350-I353 PolarHBondContact O-N 3.06Å; I350-C354 WeakPolarHBondContact O-CB 3.32Å; I350-C354 PolarHBondContact O-N 2.84Å; I350-C354 PolarHBondContact O-SG 3.18Å
351Q66.4Low62.4Low35 Ų3544.2 Ų44.216%0.16422%0.221CC..Hα-helixtrans-61.2-45.1173.6-71.8170.76.300111.7R345 S347 W348 C354 E355R345-Q351 PolarHBondContact O-NE2 3.44Å; S347-Q351 WeakPolarHBondContact O-CG 3.39Å; S347-Q351 PolarHBondContact O-N 3.22Å; W348-Q351 PolarHBondContact O-N 3.17Å; Q351-C354 PolarHBondContact O-N 2.88Å; Q351-E355 WeakPolarHBondContact O-CB 3.41Å; Q351-E355 PolarHBondContact O-N 2.04Å
352A63.7Low64.4Low13 Ų1343.2 Ų43.211%0.10722%0.223CC..Hα-helixtrans-64.3-42.5177.800000112.1W348 F349 C354 E355 V356 T373W348-A352 VanDerWaalsContact O-CB 3.3Å; W348-A352 WeakPolarHBondContact O-CB 3.46Å; W348-A352 PolarHBondContact O-N 2.81Å; F349-A352 PolarHBondContact O-N 3.38Å; A352-C354 PolarHBondContact O-N 3.36Å; A352-E355 PolarHBondContact O-N 2.88Å; A352-V356 VanDerWaalsContact O-CB 3.29Å; A352-V356 WeakPolarHBondContact O-CB 3.33Å; A352-V356 VanDerWaalsContact O-CG2 3.26Å; A352-V356 WeakPolarHBondContact O-CG2 3.41Å; A352-V356 PolarHBondContact O-N 2.7Å; A352-T373 HydrophobicContact CB-CG2 4.03Å
353I76.6Confident66.3Low0 Ų045.1 Ų45.10%023%0.225CC..Hα-helixtrans-56.6-50.7170.7-73.1162.7000110.1L201 F285 F349 I350 E355 V356 F357 T373L201-I353 HydrophobicContact CD2-CG2 4.1Å; F285-I353 HydrophobicContact CD1-CD1 3.49Å; F285-I353 VanDerWaalsContact CD1-CD1 3.49Å; F285-I353 HydrophobicContact CD1-CG1 4.48Å; F285-I353 HydrophobicContact CE1-CD1 3.76Å; F285-I353 HydrophobicContact CE1-CG1 4.28Å; F285-I353 HydrophobicContact CE1-CG2 4.36Å; F349-I353 HydrophobicContact CD1-CD1 3.75Å; F349-I353 HydrophobicContact CD2-CD1 4Å; F349-I353 HydrophobicContact CD2-CG1 4.26Å; F349-I353 HydrophobicContact CE1-CD1 3.41Å; F349-I353 VanDerWaalsContact CE1-CD1 3.41Å; F349-I353 HydrophobicContact CE2-CD1 3.67Å; F349-I353 HydrophobicContact CE2-CG1 4.03Å; F349-I353 HydrophobicContact CG-CD1 4.06Å; F349-I353 HydrophobicContact CZ-CD1 3.4Å; F349-I353 HydrophobicContact CZ-CG1 4.22Å; F349-I353 WeakPolarHBondContact O-CG1 3.45Å; F349-I353 PolarHBondContact O-N 3.08Å; I350-I353 HydrophobicContact CD1-CD1 4.19Å; I350-I353 PolarHBondContact O-N 3.06Å; I353-E355 PolarHBondContact O-N 3.41Å; I353-V356 PolarHBondContact O-N 2.94Å; I353-F357 HydrophobicContact CB-CD2 4.5Å; I353-F357 HydrophobicContact CG2-CD2 3.85Å; I353-F357 HydrophobicContact CG2-CE2 4.11Å; I353-F357 HydrophobicContact CG2-CG 4.19Å; I353-F357 WeakPolarHBondContact O-CB 3.45Å; I353-F357 VanDerWaalsContact O-CD2 3.27Å; I353-F357 WeakPolarHBondContact O-CD2 3.37Å; I353-F357 PolarHBondContact O-N 3.24Å; I353-T373 HydrophobicContact CG1-CG2 3.95Å
354C82.6Confident68.1Low0 Ų041.9 Ų41.90%020%0.201CC..Hα-helixtrans-61.4-44.6-176.7-66.60000111.8L143 L146 I350 Q351 A352 S358L143-C354 HydrophobicContact CD1-CB 3.68Å; L146-C354 HydrophobicContact CD1-CB 3.91Å; I350-C354 WeakPolarHBondContact O-CB 3.32Å; I350-C354 PolarHBondContact O-N 2.84Å; I350-C354 PolarHBondContact O-SG 3.18Å; Q351-C354 PolarHBondContact O-N 2.88Å; A352-C354 PolarHBondContact O-N 3.36Å; C354-S358 WeakPolarHBondContact O-CB 3.4Å; C354-S358 PolarHBondContact O-N 3.3Å; C354-S358 PolarHBondContact O-OG 3.35Å
355E74.5Confident70Confident134 Ų13440.9 Ų40.963%0.62619%0.189SC*.Hα-helixtrans-66.1-46.2178.3-172.2178.7173.700112.4Q351 A352 I353 S358 K359Q351-E355 WeakPolarHBondContact O-CB 3.41Å; Q351-E355 PolarHBondContact O-N 2.04Å; A352-E355 PolarHBondContact O-N 2.88Å; I353-E355 PolarHBondContact O-N 3.41Å; E355-S358 PolarHBondContact O-OG 3.43Å; E355-S358 VanDerWaalsContact O-OG 3.14Å; E355-K359 WeakPolarHBondContact O-CB 3.14Å; E355-K359 PolarHBondContact O-N 2.91Å
356V73.6Confident71.5Confident18 Ų1838 Ų3811%0.10918%0.181CC..Hα-helixtrans-69.4-48.5-180172.20000111A352 I353 S358 K359 Y360 L369 R372A352-V356 VanDerWaalsContact O-CB 3.29Å; A352-V356 WeakPolarHBondContact O-CB 3.33Å; A352-V356 VanDerWaalsContact O-CG2 3.26Å; A352-V356 WeakPolarHBondContact O-CG2 3.41Å; A352-V356 PolarHBondContact O-N 2.7Å; I353-V356 PolarHBondContact O-N 2.94Å; V356-S358 PolarHBondContact O-N 2.85Å; V356-K359 PolarHBondContact O-N 3.33Å; V356-Y360 HydrophobicContact CG1-CD2 4.08Å; V356-Y360 WeakPolarHBondContact O-CB 3.33Å; V356-Y360 VanDerWaalsContact O-CD2 3.3Å; V356-Y360 WeakPolarHBondContact O-CD2 3.15Å; V356-Y360 PolarHBondContact O-N 2.84Å; V356-L369 HydrophobicContact CG1-CB 4.21Å; V356-L369 HydrophobicContact CG1-CD2 4.05Å; V356-L369 WeakPolarHBondContact CG1-O 3.32Å; V356-R372 HydrophobicContact CG1-CB 3.82Å; V356-R372 HydrophobicContact CG2-CB 4.34Å
357F86.7Confident72.3Confident7 Ų742.5 Ų42.53%0.03120%0.204CC..Hα-helixtrans-68.6-34.5-178.1-77.9-125.5000111.4L201 F285 I353 K359 A361 L369 L370L201-F357 HydrophobicContact CD1-CB 3.84Å; L201-F357 HydrophobicContact CD2-CB 4.01Å; L201-F357 HydrophobicContact CG-CB 4.41Å; F285-F357 HydrophobicContact CE1-CZ 4.27Å; F285-F357 HydrophobicContact CZ-CE1 4.09Å; F285-F357 AromaticContact CZ-CZ 3.94Å; F285-F357 HydrophobicContact CZ-CZ 3.94Å; I353-F357 HydrophobicContact CB-CD2 4.5Å; I353-F357 HydrophobicContact CG2-CD2 3.85Å; I353-F357 HydrophobicContact CG2-CE2 4.11Å; I353-F357 HydrophobicContact CG2-CG 4.19Å; I353-F357 WeakPolarHBondContact O-CB 3.45Å; I353-F357 VanDerWaalsContact O-CD2 3.27Å; I353-F357 WeakPolarHBondContact O-CD2 3.37Å; I353-F357 PolarHBondContact O-N 3.24Å; F357-K359 VanDerWaalsContact C-N 3.27Å; F357-K359 PolarHBondContact O-N 3.37Å; F357-A361 HydrophobicContact CB-CB 4.39Å; F357-A361 WeakPolarHBondContact O-CB 3.41Å; F357-A361 PolarHBondContact O-N 3.26Å; F357-L369 HydrophobicContact CD1-CD1 3.8Å; F357-L369 HydrophobicContact CD2-CB 3.98Å; F357-L369 HydrophobicContact CD2-CD1 4.15Å; F357-L369 HydrophobicContact CE1-CD1 3.75Å; F357-L369 HydrophobicContact CE2-CB 3.53Å; F357-L369 HydrophobicContact CE2-CD1 4.12Å; F357-L369 HydrophobicContact CE2-CG 4.43Å; F357-L369 HydrophobicContact CG-CD1 3.99Å; F357-L369 HydrophobicContact CZ-CB 3.84Å; F357-L369 HydrophobicContact CZ-CD1 3.91Å; F357-L370 HydrophobicContact CE2-CD2 4.19Å; F357-L370 HydrophobicContact CZ-CD2 4.16Å; F357-L370 HydrophobicContact CZ-CG 4.39Å
358S85.8Confident72.6Confident14 Ų1444.7 Ų44.710%0.09821%0.214CC..Hα-helixtrans-65.2-32.4176.268.40000112.8V148 E149 C354 E355 V356V148-S358 WeakPolarHBondContact CA-O 3.48Å; E149-S358 PolarHBondContact N-O 3.2Å; C354-S358 WeakPolarHBondContact O-CB 3.4Å; C354-S358 PolarHBondContact O-N 3.3Å; C354-S358 PolarHBondContact O-OG 3.35Å; E355-S358 PolarHBondContact O-OG 3.43Å; E355-S358 VanDerWaalsContact O-OG 3.14Å; V356-S358 PolarHBondContact O-N 2.85Å
359K81.2Confident73.4Confident95 Ų9539.5 Ų39.541%0.41320%0.195SC..Hα-helixtrans-93.8-28.9-175.8-174.2167.9-178.3-178.60114.4E355 V356 F357 R363E355-K359 WeakPolarHBondContact O-CB 3.14Å; E355-K359 PolarHBondContact O-N 2.91Å; V356-K359 PolarHBondContact O-N 3.33Å; F357-K359 VanDerWaalsContact C-N 3.27Å; F357-K359 PolarHBondContact O-N 3.37Å; K359-R363 PolarHBondContact O-NH2 3.45Å
360Y81.7Confident73.5Confident49 Ų4939.5 Ų39.519%0.19220%0.195CC..Hα-helixtrans-121.2-17-168.3-59.3-76.8000114.7V356 C362 R363 E364 L369V356-Y360 HydrophobicContact CG1-CD2 4.08Å; V356-Y360 WeakPolarHBondContact O-CB 3.33Å; V356-Y360 VanDerWaalsContact O-CD2 3.3Å; V356-Y360 WeakPolarHBondContact O-CD2 3.15Å; V356-Y360 PolarHBondContact O-N 2.84Å; Y360-C362 PolarHBondContact O-N 3.5Å; Y360-R363 VanDerWaalsContact O-CG 3.28Å; Y360-R363 WeakPolarHBondContact O-CG 3.31Å; Y360-R363 PolarHBondContact O-N 2.92Å; Y360-E364 WeakPolarHBondContact CD1-OE1 2.99Å; Y360-E364 PolarHBondContact O-N 3.33Å; Y360-L369 VanDerWaalsContact CB-CD2 3.44Å
361A82.8Confident72.7Confident33 Ų3341.4 Ų41.427%0.27321%0.207SC..THydrogen-bonded Turntrans-68.8-1.7-175.800000115.3L205 F357 L369L205-A361 HydrophobicContact CD2-CB 3.85Å; F357-A361 HydrophobicContact CB-CB 4.39Å; F357-A361 WeakPolarHBondContact O-CB 3.41Å; F357-A361 PolarHBondContact O-N 3.26Å; A361-L369 HydrophobicContact CB-CD1 3.69Å; A361-L369 HydrophobicContact CB-CD2 4.47Å
362C75.7Confident72.5Confident40 Ų4043 Ų4327%0.2721%0.212SC..THydrogen-bonded Turntrans-86.4-10.7171.259.80000114.2E149 C151 Y360E149-C362 VanDerWaalsContact O-CB 3.27Å; E149-C362 WeakPolarHBondContact O-CB 3.45Å; C151-C362 HydrophobicContact CB-CB 4.14Å; Y360-C362 PolarHBondContact O-N 3.5Å
363R69.7Low72.5Confident115 Ų11543.3 Ų43.343%0.43421%0.212SC..THydrogen-bonded Turntrans-143-13.9-170.755.4177.7153.7-143.7-18.1115.1E149 K359 Y360E149-R363 IonicContact OE1-NH2 3.55Å; E149-R363 IonicContact OE2-CZ 3.98Å; E149-R363 IonicContact OE2-NH1 2.72Å; E149-R363 IonicContact OE2-NH2 3.39Å; E149-R363 PolarHBondContact OE2-NH2 2.86Å; K359-R363 PolarHBondContact O-NH2 3.45Å; Y360-R363 VanDerWaalsContact O-CG 3.28Å; Y360-R363 WeakPolarHBondContact O-CG 3.31Å; Y360-R363 PolarHBondContact O-N 2.92Å
364E69.5Low71.6Confident12 Ų1244.9 Ų44.96%0.05622%0.221CC..SBendtrans-121.8141.7-178.1-76.4171.4-137.900111.2Y360 H368 L369 R372 H575 M579Y360-E364 WeakPolarHBondContact CD1-OE1 2.99Å; Y360-E364 PolarHBondContact O-N 3.33Å; E364-H368 HydrophobicContact CB-CB 4.04Å; E364-H368 HydrophobicContact CG-CB 4.28Å; E364-L369 HydrophobicContact CB-CD2 3.86Å; E364-L369 HydrophobicContact CB-CG 4.28Å; E364-R372 IonicContact OE1-CZ 3.72Å; E364-R372 IonicContact OE1-NE 3.03Å; E364-R372 PolarHBondContact OE1-NE 3.4Å; E364-R372 IonicContact OE1-NH2 2.8Å; E364-R372 PolarHBondContact OE1-NH2 2.78Å; E364-R372 VanDerWaalsContact OE2-CD 3.3Å; E364-R372 WeakPolarHBondContact OE2-CD 3.38Å; E364-R372 IonicContact OE2-CZ 2.64Å; E364-R372 IonicContact OE2-NE 2.8Å; E364-R372 PolarHBondContact OE2-NE 3.04Å; E364-R372 IonicContact OE2-NH2 2.66Å; E364-H575 WeakPolarHBondContact CG-CE1 3.16Å; E364-H575 IonicContact OE1-CE1 2.69Å; E364-H575 PolarHBondContact OE1-CE1 3.38Å; E364-H575 VanDerWaalsContact OE1-CE1 3.22Å; E364-H575 IonicContact OE1-NE2 2.77Å; E364-H575 PolarHBondContact OE1-NE2 2.81Å; E364-H575 IonicContact OE2-CE1 3.93Å; E364-H575 PolarHBondContact OE2-CE1 3.46Å; E364-H575 IonicContact OE2-NE2 3.67Å; E364-H575 PolarHBondContact OE2-NE2 3.41Å; E364-M579 HydrophobicContact CG-SD 4.27Å
365E70.7Confident70.2Confident79 Ų7945.5 Ų45.537%0.36923%0.227SC..  trans-69.8161.7170.457.1146-163.100112.5L367 H368 L369E365-L367 VanDerWaalsContact C-N 3.27Å; E365-L367 PolarHBondContact O-N 2.89Å; E365-H368 HydrophobicContact CG-CB 4.31Å; E365-H368 WeakPolarHBondContact CG-CE1 3.34Å; E365-H368 WeakPolarHBondContact CG-ND1 3.42Å; E365-H368 WeakPolarHBondContact O-CB 3.43Å; E365-H368 PolarHBondContact O-N 2.97Å; E365-H368 VanDerWaalsContact O-N 3.08Å; E365-H368 IonicContact OE1-CE1 2.69Å; E365-H368 PolarHBondContact OE1-CE1 3.45Å; E365-H368 IonicContact OE1-CG 3.18Å; E365-H368 IonicContact OE1-ND1 2.85Å; E365-H368 PolarHBondContact OE1-ND1 3.01Å; E365-H368 IonicContact OE1-NE2 3.8Å; E365-H368 PolarHBondContact OE1-NE2 3.15Å; E365-H368 IonicContact OE2-CE1 2.73Å; E365-L369 WeakPolarHBondContact O-CG 2.25Å; E365-L369 PolarHBondContact O-N 2.79Å; E365-L369 VanDerWaalsContact O-N 3.07Å
366V70Confident68.9Low25 Ų2540.6 Ų40.615%0.15220%0.204CC..Hα-helixtrans-57.4-35.6-174.4169.60000113.2Y164 L283 L369 L370Y164-V366 WeakPolarHBondContact OH-CG2 3.3Å; L283-V366 HydrophobicContact CD1-CG1 4.4Å; L283-V366 HydrophobicContact CD1-CG2 3.98Å; L283-V366 HydrophobicContact CD2-CG1 3.85Å; L283-V366 HydrophobicContact CD2-CG2 4.4Å; V366-L369 PolarHBondContact O-N 3.42Å; V366-L370 HydrophobicContact CG1-CD1 3.59Å; V366-L370 HydrophobicContact CG1-CG 4.18Å; V366-L370 WeakPolarHBondContact O-CB 3.28Å; V366-L370 VanDerWaalsContact O-CG 3.26Å; V366-L370 WeakPolarHBondContact O-CG 3.43Å; V366-L370 PolarHBondContact O-N 3.25Å
367L60Low67.7Low95 Ų9541 Ų4150%0.49721%0.206SC..Hα-helixtrans-66.7-38.2178.6-176.964.2000112.3E365 L370 T371E365-L367 VanDerWaalsContact C-N 3.27Å; E365-L367 PolarHBondContact O-N 2.89Å; L367-L370 PolarHBondContact O-N 3.41Å; L367-T371 WeakPolarHBondContact O-CB 3.19Å; L367-T371 PolarHBondContact O-N 3.49Å; L367-T371 PolarHBondContact O-OG1 3.01Å
368H63.9Low65.2Low47 Ų4741.3 Ų41.322%0.21821%0.208CC..Hα-helixtrans-65.4-44.3171.9-77.496.5000111.9E364 E365 L370 T371 R372 H575 E578E364-H368 HydrophobicContact CB-CB 4.04Å; E364-H368 HydrophobicContact CG-CB 4.28Å; E365-H368 HydrophobicContact CG-CB 4.31Å; E365-H368 WeakPolarHBondContact CG-CE1 3.34Å; E365-H368 WeakPolarHBondContact CG-ND1 3.42Å; E365-H368 WeakPolarHBondContact O-CB 3.43Å; E365-H368 PolarHBondContact O-N 2.97Å; E365-H368 VanDerWaalsContact O-N 3.08Å; E365-H368 IonicContact OE1-CE1 2.69Å; E365-H368 PolarHBondContact OE1-CE1 3.45Å; E365-H368 IonicContact OE1-CG 3.18Å; E365-H368 IonicContact OE1-ND1 2.85Å; E365-H368 PolarHBondContact OE1-ND1 3.01Å; E365-H368 IonicContact OE1-NE2 3.8Å; E365-H368 PolarHBondContact OE1-NE2 3.15Å; E365-H368 IonicContact OE2-CE1 2.73Å; H368-L370 VanDerWaalsContact C-N 3.29Å; H368-L370 PolarHBondContact O-N 2.89Å; H368-T371 PolarHBondContact O-N 2.95Å; H368-R372 WeakPolarHBondContact O-CG 3.39Å; H368-R372 PolarHBondContact O-N 2.8Å; H368-H575 AromaticContact CD2-CE1 3.76Å; H368-H575 AromaticContact CD2-CG 3.76Å; H368-H575 AromaticContact CD2-ND1 3.34Å; H368-H575 PolarHBondContact CD2-ND1 3.1Å; H368-H575 VanDerWaalsContact CD2-ND1 3.34Å; H368-H575 AromaticContact CG-CE1 4Å; H368-E578 IonicContact CD2-OE2 3.55Å; H368-E578 IonicContact NE2-OE2 3.67Å
369L69.7Low63.1Low3 Ų341.9 Ų41.92%0.01621%0.208CC..Hα-helixtrans-58.9-40.8175.2-59.2176.6000111.9V356 F357 Y360 A361 E364 E365 V366 T373V356-L369 HydrophobicContact CG1-CB 4.21Å; V356-L369 HydrophobicContact CG1-CD2 4.05Å; V356-L369 WeakPolarHBondContact CG1-O 3.32Å; F357-L369 HydrophobicContact CD1-CD1 3.8Å; F357-L369 HydrophobicContact CD2-CB 3.98Å; F357-L369 HydrophobicContact CD2-CD1 4.15Å; F357-L369 HydrophobicContact CE1-CD1 3.75Å; F357-L369 HydrophobicContact CE2-CB 3.53Å; F357-L369 HydrophobicContact CE2-CD1 4.12Å; F357-L369 HydrophobicContact CE2-CG 4.43Å; F357-L369 HydrophobicContact CG-CD1 3.99Å; F357-L369 HydrophobicContact CZ-CB 3.84Å; F357-L369 HydrophobicContact CZ-CD1 3.91Å; Y360-L369 VanDerWaalsContact CB-CD2 3.44Å; A361-L369 HydrophobicContact CB-CD1 3.69Å; A361-L369 HydrophobicContact CB-CD2 4.47Å; E364-L369 HydrophobicContact CB-CD2 3.86Å; E364-L369 HydrophobicContact CB-CG 4.28Å; E365-L369 WeakPolarHBondContact O-CG 2.25Å; E365-L369 PolarHBondContact O-N 2.79Å; E365-L369 VanDerWaalsContact O-N 3.07Å; V366-L369 PolarHBondContact O-N 3.42Å; L369-T373 WeakPolarHBondContact O-CB 3.47Å; L369-T373 PolarHBondContact O-N 3.01Å; L369-T373 PolarHBondContact O-OG1 3.12Å
370L65.5Low60.9Low15 Ų1540.7 Ų40.78%0.07920%0.201CC..Hα-helixtrans-75-36.1178.9-66.9172.1000111.9F285 L337 F357 V366 L367 H368 T373 N374F285-L370 HydrophobicContact CE1-CD2 4.08Å; L337-L370 HydrophobicContact CD1-CB 4.06Å; L337-L370 HydrophobicContact CD1-CD1 3.48Å; L337-L370 VanDerWaalsContact CD1-CD1 3.48Å; L337-L370 HydrophobicContact CD1-CG 4.32Å; F357-L370 HydrophobicContact CE2-CD2 4.19Å; F357-L370 HydrophobicContact CZ-CD2 4.16Å; F357-L370 HydrophobicContact CZ-CG 4.39Å; V366-L370 HydrophobicContact CG1-CD1 3.59Å; V366-L370 HydrophobicContact CG1-CG 4.18Å; V366-L370 WeakPolarHBondContact O-CB 3.28Å; V366-L370 VanDerWaalsContact O-CG 3.26Å; V366-L370 WeakPolarHBondContact O-CG 3.43Å; V366-L370 PolarHBondContact O-N 3.25Å; L367-L370 PolarHBondContact O-N 3.41Å; H368-L370 VanDerWaalsContact C-N 3.29Å; H368-L370 PolarHBondContact O-N 2.89Å; L370-T373 WeakPolarHBondContact O-CB 3.44Å; L370-T373 PolarHBondContact O-N 3.29Å; L370-N374 VanDerWaalsContact O-CB 3.28Å; L370-N374 WeakPolarHBondContact O-CB 3.26Å; L370-N374 VanDerWaalsContact O-CG 3.23Å; L370-N374 PolarHBondContact O-N 3.18Å; L370-N374 PolarHBondContact O-ND2 2.67Å
371T55.8Low58.3Low41 Ų4141.4 Ų41.425%0.25222%0.216SC..Hα-helixtrans-60.2-45.6170.3-60.70000111.6L367 H368 N374 G375 R571L367-T371 WeakPolarHBondContact O-CB 3.19Å; L367-T371 PolarHBondContact O-N 3.49Å; L367-T371 PolarHBondContact O-OG1 3.01Å; H368-T371 PolarHBondContact O-N 2.95Å; T371-N374 PolarHBondContact O-N 2.76Å; T371-G375 PolarHBondContact O-N 3.21Å; T371-R571 HydrophobicContact CG2-CB 4.36Å
372R63.4Low55.9Low68 Ų6845 Ų4526%0.25723%0.231SC..Hα-helixtrans-59.4-45172-77.7-165.7-175.9-72.73.6112.1V356 E364 H368 N374 H575V356-R372 HydrophobicContact CG1-CB 3.82Å; V356-R372 HydrophobicContact CG2-CB 4.34Å; E364-R372 IonicContact OE1-CZ 3.72Å; E364-R372 IonicContact OE1-NE 3.03Å; E364-R372 PolarHBondContact OE1-NE 3.4Å; E364-R372 IonicContact OE1-NH2 2.8Å; E364-R372 PolarHBondContact OE1-NH2 2.78Å; E364-R372 VanDerWaalsContact OE2-CD 3.3Å; E364-R372 WeakPolarHBondContact OE2-CD 3.38Å; E364-R372 IonicContact OE2-CZ 2.64Å; E364-R372 IonicContact OE2-NE 2.8Å; E364-R372 PolarHBondContact OE2-NE 3.04Å; E364-R372 IonicContact OE2-NH2 2.66Å; H368-R372 WeakPolarHBondContact O-CG 3.39Å; H368-R372 PolarHBondContact O-N 2.8Å; R372-N374 VanDerWaalsContact C-N 3.27Å; R372-N374 PolarHBondContact O-N 2.92Å; R372-H575 WeakPolarHBondContact CD-NE2 3.43Å; R372-H575 WeakPolarHBondContact CG-NE2 3.25Å; R372-H575 PolarHBondContact NE-NE2 2.85Å; R372-H575 PolarHBondContact NH1-NE2 2.89Å; R372-H575 PolarHBondContact NH2-NE2 2.91Å
373T62.2Low53.8Low19 Ų1944.7 Ų44.712%0.11723%0.229CC..Hα-helixtrans-61.6-36.5178.7-59.40000111.7F349 A352 I353 L369 L370F349-T373 HydrophobicContact CD2-CG2 3.82Å; F349-T373 HydrophobicContact CE2-CG2 3.8Å; A352-T373 HydrophobicContact CB-CG2 4.03Å; I353-T373 HydrophobicContact CG1-CG2 3.95Å; L369-T373 WeakPolarHBondContact O-CB 3.47Å; L369-T373 PolarHBondContact O-N 3.01Å; L369-T373 PolarHBondContact O-OG1 3.12Å; L370-T373 WeakPolarHBondContact O-CB 3.44Å; L370-T373 PolarHBondContact O-N 3.29Å
374N57.7Low52Low34 Ų3440.3 Ų40.318%0.18222%0.216CC..THydrogen-bonded Turntrans-95.814-172.9-67.6-24.8000114.9L370 T371 R372 M376 I377L370-N374 VanDerWaalsContact O-CB 3.28Å; L370-N374 WeakPolarHBondContact O-CB 3.26Å; L370-N374 VanDerWaalsContact O-CG 3.23Å; L370-N374 PolarHBondContact O-N 3.18Å; L370-N374 PolarHBondContact O-ND2 2.67Å; T371-N374 PolarHBondContact O-N 2.76Å; R372-N374 VanDerWaalsContact C-N 3.27Å; R372-N374 PolarHBondContact O-N 2.92Å; N374-M376 PolarHBondContact O-N 2.68Å; N374-I377 HydrophobicContact CB-CD1 3.62Å; N374-I377 HydrophobicContact CB-CG1 4.34Å; N374-I377 HydrophobicContact CB-CG2 4.48Å; N374-I377 VanDerWaalsContact O-CG1 3.3Å; N374-I377 WeakPolarHBondContact O-CG1 3.3Å; N374-I377 WeakPolarHBondContact O-CG2 3.35Å; N374-I377 PolarHBondContact O-N 3.04Å
375G54.6Low50.6Low12 Ų1245.9 Ų45.912%0.12425%0.246CC..THydrogen-bonded Turntrans-59.524.8-162.900000121.2T371 Q507T371-G375 PolarHBondContact O-N 3.21Å; G375-Q507 WeakPolarHBondContact O-CB 3.44Å; G375-Q507 WeakPolarHBondContact O-CG 3.37Å
376M47.6Very low49.1Very low31 Ų3143.6 Ų43.615%0.15324%0.239CC..THydrogen-bonded Turntrans-135.427.5172.1-57.5-170.9-44.100113.4W348 N374 A393 Q507 L511W348-M376 HydrophobicContact CH2-CE 3.74Å; W348-M376 HydrophobicContact CZ3-CE 4.33Å; N374-M376 PolarHBondContact O-N 2.68Å; M376-A393 PolarHBondContact O-N 3.29Å; M376-Q507 HydrophobicContact CG-CB 4.08Å; M376-L511 HydrophobicContact CE-CD1 4.32Å; M376-L511 HydrophobicContact CE-CD2 3.85Å; M376-L511 HydrophobicContact CE-CG 4.49Å; M376-L511 HydrophobicContact SD-CB 3.8Å; M376-L511 HydrophobicContact SD-CD1 4.49Å; M376-L511 HydrophobicContact SD-CD2 3.8Å; M376-L511 HydrophobicContact SD-CG 4.22Å
377I47.5Very low48.2Very low28 Ų2845 Ų4514%0.14425%0.25CS..EExtended strand (participates in β ladder)trans-97.2160.2-176.556.3179.6000113.9N374 F390 E391 A568N374-I377 HydrophobicContact CB-CD1 3.62Å; N374-I377 HydrophobicContact CB-CG1 4.34Å; N374-I377 HydrophobicContact CB-CG2 4.48Å; N374-I377 VanDerWaalsContact O-CG1 3.3Å; N374-I377 WeakPolarHBondContact O-CG1 3.3Å; N374-I377 WeakPolarHBondContact O-CG2 3.35Å; N374-I377 PolarHBondContact O-N 3.04Å; I377-F390 HydrophobicContact CB-CB 3.89Å; I377-F390 HydrophobicContact CB-CD1 3.89Å; I377-F390 HydrophobicContact CB-CG 4.11Å; I377-F390 HydrophobicContact CD1-CB 4.02Å; I377-F390 HydrophobicContact CD1-CD1 3.53Å; I377-F390 HydrophobicContact CD1-CD2 3.77Å; I377-F390 HydrophobicContact CD1-CE1 3.82Å; I377-F390 HydrophobicContact CD1-CE2 4.01Å; I377-F390 HydrophobicContact CD1-CG 3.51Å; I377-F390 HydrophobicContact CD1-CZ 4.05Å; I377-F390 HydrophobicContact CG1-CB 4.42Å; I377-F390 HydrophobicContact CG1-CD1 3.79Å; I377-F390 HydrophobicContact CG1-CE1 4.21Å; I377-F390 HydrophobicContact CG1-CG 4.14Å; I377-F390 HydrophobicContact CG2-CB 4.02Å; I377-E391 CarbonylContact C-O 3.58Å; I377-E391 WeakPolarHBondContact CA-O 3.34Å; I377-A568 HydrophobicContact CG1-CB 4.1Å; I377-A568 WeakPolarHBondContact O-CB 3.47Å
378I34.3Very low47.2Very low13 Ų1346.8 Ų46.87%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-136.6157.2165.354173.5000109F390 E391 A393 L504I378-F390 WeakPolarHBondContact O-CA 3.34Å; I378-F390 WeakPolarHBondContact O-CD1 3.45Å; I378-E391 HydrophobicContact CG1-CB 4.28Å; I378-E391 PolarHBondContact N-O 3.15Å; I378-E391 PolarHBondContact O-N 2.79Å; I378-A393 HydrophobicContact CG2-CB 4.01Å; I378-L504 HydrophobicContact CG2-CD1 3.92Å
379R40.9Very low46.2Very low26 Ų2647.6 Ų47.610%0.09827%0.268CS..EExtended strand (participates in β ladder)trans-63.3148.8170.5-71-179.8177.4164.30.7109.4C384 S386 S387 F390 R565 I567R379-C384 WeakPolarHBondContact CD-O 3.48Å; R379-C384 PolarHBondContact NH1-O 3.16Å; R379-S386 WeakPolarHBondContact CD-O 3.2Å; R379-S386 WeakPolarHBondContact CG-O 3.39Å; R379-S386 PolarHBondContact NE-O 2.96Å; R379-S387 PolarHBondContact NH2-OG 3.3Å; R379-F390 HydrophobicContact CG-CD1 4.44Å; R379-F390 HydrophobicContact CG-CE1 4.04Å; R379-R565 PolarHBondContact N-O 3.37Å; R379-R565 VanDerWaalsContact O-CG 3.25Å; R379-R565 WeakPolarHBondContact O-CG 3.44Å; R379-R565 PolarHBondContact O-NE 3.24Å; R379-I567 HydrophobicContact CG-CG2 3.88Å
380R36.5Very low45.2Very low70 Ų7050.6 Ų50.626%0.26428%0.281SS..  trans-60.5151171.7-63.6175.656.2139.21.4109.6D382 S383 C384 V389 E391R380-D382 VanDerWaalsContact C-N 3.26Å; R380-D382 WeakPolarHBondContact CB-OD1 3.49Å; R380-D382 IonicContact CZ-OD1 2.63Å; R380-D382 IonicContact CZ-OD2 3.56Å; R380-D382 VanDerWaalsContact CZ-OD2 3.31Å; R380-D382 IonicContact NE-OD1 3.95Å; R380-D382 PolarHBondContact NE-OD1 3.24Å; R380-D382 IonicContact NE-OD2 3.35Å; R380-D382 PolarHBondContact NE-OD2 2.83Å; R380-D382 IonicContact NH2-OD1 2.89Å; R380-D382 IonicContact NH2-OD2 2.81Å; R380-D382 PolarHBondContact NH2-OD2 3.46Å; R380-D382 PolarHBondContact O-N 2.93Å; R380-S383 WeakPolarHBondContact CB-OG 3.31Å; R380-S383 PolarHBondContact O-N 3.33Å; R380-C384 PolarHBondContact O-N 3.07Å; R380-C384 PolarHBondContact O-SG 3.38Å; R380-C384 VanDerWaalsContact O-SG 3.34Å; R380-V389 VanDerWaalsContact CD-CG1 3.44Å; R380-V389 HydrophobicContact CG-CG1 4.12Å; R380-E391 HydrophobicContact CG-CG 3.88Å; R380-E391 WeakPolarHBondContact CG-OE1 3.28Å
381A26.8Very low44.5Very low63 Ų6351.5 Ų51.552%0.52129%0.285SS..THydrogen-bonded Turntrans-65-30.5179.600000113.3C384A381-C384 PolarHBondContact O-SG 3.43Å; A381-C384 VanDerWaalsContact O-SG 3.36Å
382D31.1Very low44.6Very low109 Ų10953.4 Ų53.458%0.58329%0.293SS*.THydrogen-bonded Turntrans-86.4-7.5-178.155.915000114.6R380R380-D382 VanDerWaalsContact C-N 3.26Å; R380-D382 WeakPolarHBondContact CB-OD1 3.49Å; R380-D382 IonicContact CZ-OD1 2.63Å; R380-D382 IonicContact CZ-OD2 3.56Å; R380-D382 VanDerWaalsContact CZ-OD2 3.31Å; R380-D382 IonicContact NE-OD1 3.95Å; R380-D382 PolarHBondContact NE-OD1 3.24Å; R380-D382 IonicContact NE-OD2 3.35Å; R380-D382 PolarHBondContact NE-OD2 2.83Å; R380-D382 IonicContact NH2-OD1 2.89Å; R380-D382 IonicContact NH2-OD2 2.81Å; R380-D382 PolarHBondContact NH2-OD2 3.46Å; R380-D382 PolarHBondContact O-N 2.93Å
383S32.9Very low44.5Very low33 Ų3351.1 Ų51.123%0.23129%0.289CS..  trans-142.447.1-175.636.90000110.7R380 D385 S386R380-S383 WeakPolarHBondContact CB-OG 3.31Å; R380-S383 PolarHBondContact O-N 3.33Å; S383-D385 PolarHBondContact O-N 2.78Å; S383-D385 VanDerWaalsContact O-N 3.09Å; S383-S386 PolarHBondContact O-N 3.11Å
384C31.6Very low44.8Very low24 Ų2454 Ų5416%0.16231%0.308CS..THydrogen-bonded Turntrans-62.4-14-178.7-70.60000114.3R379 R380 A381 A563R379-C384 WeakPolarHBondContact CD-O 3.48Å; R379-C384 PolarHBondContact NH1-O 3.16Å; R380-C384 PolarHBondContact O-N 3.07Å; R380-C384 PolarHBondContact O-SG 3.38Å; R380-C384 VanDerWaalsContact O-SG 3.34Å; A381-C384 PolarHBondContact O-SG 3.43Å; A381-C384 VanDerWaalsContact O-SG 3.36Å; C384-A563 HydrophobicContact CB-CB 4.16Å
385D40.3Very low45.9Very low128 Ų12854.1 Ų54.168%0.68431%0.307SS*.THydrogen-bonded Turntrans-93.1-23.7-178.9-53.2-32.4000113S383 A563S383-D385 PolarHBondContact O-N 2.78Å; S383-D385 VanDerWaalsContact O-N 3.09Å; D385-A563 WeakPolarHBondContact OD1-CB 3.38Å
386S39.3Very low47Very low32 Ų3254.2 Ų54.222%0.22431%0.305CS..  trans-93.3147.7179.3163.30000111.6R379 S383 D388R379-S386 WeakPolarHBondContact CD-O 3.2Å; R379-S386 WeakPolarHBondContact CG-O 3.39Å; R379-S386 PolarHBondContact NE-O 2.96Å; S383-S386 PolarHBondContact O-N 3.11Å; S386-D388 WeakPolarHBondContact OG-CB 3.21Å; S386-D388 PolarHBondContact OG-N 3.46Å; S386-D388 PolarHBondContact OG-OD2 3.04Å
387S50.6Low48.6Very low55 Ų5555 Ų5539%0.38531%0.31SS..SBendtrans-104.97.8169.4-46.60000112.7R379 V389 F390R379-S387 PolarHBondContact NH2-OG 3.3Å; S387-V389 VanDerWaalsContact C-N 3.32Å; S387-F390 WeakPolarHBondContact O-CE2 3.44Å
388D38.7Very low50.3Low131 Ų13155.9 Ų55.970%0.70131%0.314SS*.SBendtrans-79.8-21.8-173.2-44.2-48000111.1S386S386-D388 WeakPolarHBondContact OG-CB 3.21Å; S386-D388 PolarHBondContact OG-N 3.46Å; S386-D388 PolarHBondContact OG-OD2 3.04Å
389V42.3Very low52.7Low64 Ų6456.7 Ų56.739%0.38832%0.321SS..  trans-133129.8-178.6-164.10000111.6R380 S387R380-V389 VanDerWaalsContact CD-CG1 3.44Å; R380-V389 HydrophobicContact CG-CG1 4.12Å; S387-V389 VanDerWaalsContact C-N 3.32Å
390F49.9Very low54.7Low66 Ų6656 Ų5629%0.28932%0.319SS..EExtended strand (participates in β ladder)trans-127.2145.3-177.7-78.3-78.9000111.9I377 I378 R379 S387 I567I377-F390 HydrophobicContact CB-CB 3.89Å; I377-F390 HydrophobicContact CB-CD1 3.89Å; I377-F390 HydrophobicContact CB-CG 4.11Å; I377-F390 HydrophobicContact CD1-CB 4.02Å; I377-F390 HydrophobicContact CD1-CD1 3.53Å; I377-F390 HydrophobicContact CD1-CD2 3.77Å; I377-F390 HydrophobicContact CD1-CE1 3.82Å; I377-F390 HydrophobicContact CD1-CE2 4.01Å; I377-F390 HydrophobicContact CD1-CG 3.51Å; I377-F390 HydrophobicContact CD1-CZ 4.05Å; I377-F390 HydrophobicContact CG1-CB 4.42Å; I377-F390 HydrophobicContact CG1-CD1 3.79Å; I377-F390 HydrophobicContact CG1-CE1 4.21Å; I377-F390 HydrophobicContact CG1-CG 4.14Å; I377-F390 HydrophobicContact CG2-CB 4.02Å; I378-F390 WeakPolarHBondContact O-CA 3.34Å; I378-F390 WeakPolarHBondContact O-CD1 3.45Å; R379-F390 HydrophobicContact CG-CD1 4.44Å; R379-F390 HydrophobicContact CG-CE1 4.04Å; S387-F390 WeakPolarHBondContact O-CE2 3.44Å; F390-I567 HydrophobicContact CE1-CG2 4.27Å
391E50.6Low57.1Low35 Ų3555.9 Ų55.916%0.16433%0.328CS..EExtended strand (participates in β ladder)trans-106.3158.1170.6-91.5167.2-162.200110.6I377 I378 R380 R565 C767I377-E391 CarbonylContact C-O 3.58Å; I377-E391 WeakPolarHBondContact CA-O 3.34Å; I378-E391 HydrophobicContact CG1-CB 4.28Å; I378-E391 PolarHBondContact N-O 3.15Å; I378-E391 PolarHBondContact O-N 2.79Å; R380-E391 HydrophobicContact CG-CG 3.88Å; R380-E391 WeakPolarHBondContact CG-OE1 3.28Å; E391-R565 IonicContact OE2-NH2 3.49Å; E391-R565 PolarHBondContact OE2-NH2 3.05Å; E391-C767 HydrophobicContact CG-CB 4.2Å
392L57.9Low59.7Low80 Ų8054.8 Ų54.842%0.41932%0.315SS..EExtended strand (participates in β ladder)trans-68.6133.7165.8-69.3165.6000110.3C767L392-C767 PolarHBondContact N-SG 3.37Å
393A61.8Low62.3Low20 Ų2052.1 Ų52.117%0.16530%0.303CS..PPolyproline II helixtrans-60133.7169.500000110M376 I378 F395 L504M376-A393 PolarHBondContact O-N 3.29Å; I378-A393 HydrophobicContact CG2-CB 4.01Å; A393-F395 WeakPolarHBondContact O-CD1 3.48Å; A393-F395 PolarHBondContact O-N 2.8Å; A393-L504 HydrophobicContact CB-CD1 4.32Å
394P68.8Low64.8Low79 Ų7957.3 Ų57.351%0.51332%0.318SS..PPolyproline II helixtrans-58.6130.3176.1-27.436.1000112.7V765 R766P394-V765 WeakPolarHBondContact CA-O 3.23Å; P394-R766 HydrophobicContact CB-CG 3.98Å; P394-R766 HydrophobicContact CG-CG 4.31Å
395F78.9Confident67.5Low37 Ų3763.3 Ų63.316%0.16234%0.337CS..EExtended strand (participates in β ladder)trans-142.3160.6-177.369.6-79.9000111.7A393 L511 V765A393-F395 WeakPolarHBondContact O-CD1 3.48Å; A393-F395 PolarHBondContact O-N 2.8Å; F395-L511 HydrophobicContact CD2-CD2 3.67Å; F395-L511 HydrophobicContact CE2-CD2 3.34Å; F395-L511 HydrophobicContact CG-CD2 4.44Å; F395-L511 HydrophobicContact CZ-CD2 3.83Å; F395-V765 HydrophobicContact CD1-CB 3.97Å; F395-V765 HydrophobicContact CD1-CG1 4.3Å; F395-V765 HydrophobicContact CD2-CB 4.46Å; F395-V765 HydrophobicContact CD2-CG2 4.45Å; F395-V765 HydrophobicContact CE1-CB 3.6Å; F395-V765 HydrophobicContact CE1-CG1 3.53Å; F395-V765 HydrophobicContact CE1-CG2 4.25Å; F395-V765 HydrophobicContact CE2-CB 4.09Å; F395-V765 HydrophobicContact CE2-CG2 3.87Å; F395-V765 HydrophobicContact CG-CB 4.39Å; F395-V765 HydrophobicContact CZ-CB 3.66Å; F395-V765 HydrophobicContact CZ-CG1 3.68Å; F395-V765 HydrophobicContact CZ-CG2 3.77Å; F395-V765 PolarHBondContact N-O 3.15Å; F395-V765 VanDerWaalsContact N-O 3.14Å; F395-V765 PolarHBondContact O-N 2.91Å
396T78.8Confident69.8Low15 Ų1557.3 Ų57.39%0.09231%0.305CS..EExtended strand (participates in β ladder)trans-83.7137168.255.30000110L398 H512 N762 F763 T805T396-L398 VanDerWaalsContact C-N 3.28Å; T396-L398 VanDerWaalsContact CB-O 3.27Å; T396-L398 WeakPolarHBondContact CB-O 3.35Å; T396-L398 PolarHBondContact O-N 3.3Å; T396-L398 PolarHBondContact OG1-O 3.45Å; T396-H512 PolarHBondContact O-NE2 3.29Å; T396-N762 WeakPolarHBondContact CB-ND2 3.19Å; T396-F763 CarbonylContact C-O 3.52Å; T396-F763 VanDerWaalsContact CA-O 3.25Å; T396-F763 WeakPolarHBondContact CA-O 3.49Å; T396-T805 HydrophobicContact CG2-CG2 3.8Å
397L80.5Confident72.1Confident47 Ų4757.4 Ų57.425%0.24630%0.301CS..SBendtrans-62-38.4179.9-174.963.4000112I515 F763 V765 V771L397-I515 HydrophobicContact CD1-CD1 4.13Å; L397-I515 VanDerWaalsContact O-CD1 3.29Å; L397-I515 WeakPolarHBondContact O-CD1 3.29Å; L397-F763 HydrophobicContact CB-CB 3.92Å; L397-F763 HydrophobicContact CD2-CB 4.39Å; L397-F763 PolarHBondContact N-O 3.28Å; L397-V765 HydrophobicContact CB-CG2 3.99Å; L397-V765 HydrophobicContact CD1-CG2 4.23Å; L397-V771 HydrophobicContact CD2-CG1 4.35Å
398L83.2Confident73.9Confident46 Ų4657.5 Ų57.524%0.24130%0.302CS..SBendtrans-109.6154.6176.9-58.3177.3000110.2T396 S400 I515 L519 N762 F763T396-L398 VanDerWaalsContact C-N 3.28Å; T396-L398 VanDerWaalsContact CB-O 3.27Å; T396-L398 WeakPolarHBondContact CB-O 3.35Å; T396-L398 PolarHBondContact O-N 3.3Å; T396-L398 PolarHBondContact OG1-O 3.45Å; L398-S400 PolarHBondContact O-N 3.3Å; L398-I515 HydrophobicContact CD2-CG2 4.09Å; L398-L519 HydrophobicContact CD2-CD1 3.61Å; L398-N762 PolarHBondContact N-OD1 3.06Å; L398-N762 PolarHBondContact O-ND2 3.19Å; L398-N762 PolarHBondContact O-OD1 2.71Å; L398-F763 HydrophobicContact CD1-CD2 4.37Å; L398-F763 HydrophobicContact CD1-CE2 4.39Å
399P84.6Confident76.4Confident31 Ų3153.9 Ų53.920%0.20128%0.281CS..PPolyproline II helixtrans-66.5129.1168.228.1-34.4000110.3H512 L529P399-H512 HydrophobicContact CB-CB 4.45Å; P399-L529 HydrophobicContact CB-CD2 3.65Å; P399-L529 HydrophobicContact CG-CD1 4.44Å; P399-L529 HydrophobicContact CG-CD2 3.76Å
400S84.3Confident78.7Confident10 Ų1050.8 Ų50.87%0.0726%0.262CS..PPolyproline II helixtrans-73.6140.6173.5-63.80000110.7L398 N762 S778L398-S400 PolarHBondContact O-N 3.3Å; S400-N762 PolarHBondContact OG-ND2 2.94Å; S400-S778 WeakPolarHBondContact CB-OG 3.49Å; S400-S778 PolarHBondContact OG-OG 2.76Å
401P85.4Confident80.6Confident68 Ų6849.8 Ų49.844%0.44226%0.261SS..PPolyproline II helixtrans-70.1136.5-176.327.8-35.1000112.8C760P401-C760 HydrophobicContact CG-CB 4.1Å
402V81.5Confident82.5Confident41 Ų4151.8 Ų51.825%0.24828%0.278CS..  trans-133.5129.4170.6-178.10000108.5R404 F407 L780 L803V402-R404 PolarHBondContact O-N 3.16Å; V402-F407 HydrophobicContact CG1-CB 4.1Å; V402-L780 HydrophobicContact CG1-CD2 4.38Å; V402-L803 HydrophobicContact CG2-CD1 4Å; V402-L803 HydrophobicContact CG2-CD2 4.12Å
403P85.6Confident84.2Confident53 Ų5348.2 Ų48.234%0.34426%0.259SS..  trans-61.7126179.1-24.735000112.2R405 L406 F407P403-R405 VanDerWaalsContact C-N 3.25Å; P403-R405 PolarHBondContact O-N 2.93Å; P403-R405 VanDerWaalsContact O-N 3.12Å; P403-L406 HydrophobicContact CB-CD1 4.3Å; P403-L406 HydrophobicContact CB-CG 4.4Å; P403-L406 HydrophobicContact CG-CD1 4.2Å; P403-L406 PolarHBondContact O-N 2.96Å; P403-F407 PolarHBondContact O-N 3.36Å
404R85.3Confident85.8Confident141 Ų14147.3 Ų47.353%0.53225%0.252SS..Hα-helixtrans-50.1-43.1-176.4-168.9-172.2-59-79.41.6112.8V402 L406 F407 S408 E527V402-R404 PolarHBondContact O-N 3.16Å; R404-L406 VanDerWaalsContact C-N 3.31Å; R404-L406 PolarHBondContact O-N 3.13Å; R404-F407 PolarHBondContact O-N 3.39Å; R404-S408 WeakPolarHBondContact O-CB 3.47Å; R404-S408 PolarHBondContact O-N 3.27Å; R404-S408 PolarHBondContact O-OG 3.09Å; R404-E527 VanDerWaalsContact CZ-O 3.29Å; R404-E527 PolarHBondContact NH1-O 2.88Å; R404-E527 PolarHBondContact NH2-O 3.45Å
405R88.4Confident86.9Confident151 Ų15147.1 Ų47.157%0.5724%0.243SC*.Hα-helixtrans-54.2-44.9176.8-174.7-176.968.877.4-6.6112.5P403 Q409 L487P403-R405 VanDerWaalsContact C-N 3.25Å; P403-R405 PolarHBondContact O-N 2.93Å; P403-R405 VanDerWaalsContact O-N 3.12Å; R405-Q409 WeakPolarHBondContact O-CB 3.49Å; R405-Q409 PolarHBondContact O-N 3.19Å; R405-L487 PolarHBondContact NH2-O 2.89Å
406L88.8Confident87.6Confident2 Ų246.8 Ų46.81%0.0124%0.242CC..Hα-helixtrans-78.8-33.6-177.2-63177.7000111.6P403 R404 Q409 A410 L476 L487 L489P403-L406 HydrophobicContact CB-CD1 4.3Å; P403-L406 HydrophobicContact CB-CG 4.4Å; P403-L406 HydrophobicContact CG-CD1 4.2Å; P403-L406 PolarHBondContact O-N 2.96Å; R404-L406 VanDerWaalsContact C-N 3.31Å; R404-L406 PolarHBondContact O-N 3.13Å; L406-Q409 PolarHBondContact O-N 3.03Å; L406-A410 PolarHBondContact O-N 3.22Å; L406-L476 HydrophobicContact CB-CD2 4.16Å; L406-L476 HydrophobicContact CD1-CD2 3.57Å; L406-L487 HydrophobicContact CD1-CB 4.1Å; L406-L489 HydrophobicContact CD2-CB 4.17Å
407F88.3Confident88.4Confident34 Ų3446.1 Ų46.115%0.14924%0.238CC..Hα-helixtrans-63.3-49.5170.5-178.9-91.8000111.6V402 P403 R404 Q409 A410 V411 P530 L780 I782 H801V402-F407 HydrophobicContact CG1-CB 4.1Å; P403-F407 PolarHBondContact O-N 3.36Å; R404-F407 PolarHBondContact O-N 3.39Å; F407-Q409 VanDerWaalsContact C-N 3.33Å; F407-Q409 PolarHBondContact O-N 3.45Å; F407-A410 WeakPolarHBondContact O-CB 3.34Å; F407-A410 PolarHBondContact O-N 2.73Å; F407-A410 VanDerWaalsContact O-N 3.13Å; F407-V411 HydrophobicContact CD1-CG2 4.17Å; F407-V411 HydrophobicContact CE1-CG2 3.77Å; F407-V411 HydrophobicContact CZ-CG2 4.03Å; F407-V411 WeakPolarHBondContact O-CG2 3.43Å; F407-V411 PolarHBondContact O-N 2.87Å; F407-P530 HydrophobicContact CE1-CB 4.15Å; F407-P530 HydrophobicContact CE1-CG 3.81Å; F407-P530 HydrophobicContact CE2-CG 4.36Å; F407-P530 HydrophobicContact CZ-CB 4.29Å; F407-P530 HydrophobicContact CZ-CG 3.67Å; F407-L780 HydrophobicContact CD2-CD1 3.98Å; F407-L780 HydrophobicContact CD2-CD2 4.01Å; F407-L780 HydrophobicContact CE2-CD1 4Å; F407-I782 HydrophobicContact CE2-CD1 4.33Å; F407-H801 HydrophobicContact CE2-CB 4.04Å; F407-H801 AromaticContact CE2-CG 3.9Å; F407-H801 HydrophobicContact CZ-CB 4.29Å; F407-H801 AromaticContact CZ-CG 3.96Å; F407-H801 AromaticContact CZ-ND1 3.72Å
408S88.7Confident89.1Confident56 Ų5644 Ų4439%0.39223%0.227SC..Hα-helixtrans-61.6-39.2175.8-64.90000112.2R404 A410 V411 C412R404-S408 WeakPolarHBondContact O-CB 3.47Å; R404-S408 PolarHBondContact O-N 3.27Å; R404-S408 PolarHBondContact O-OG 3.09Å; S408-A410 VanDerWaalsContact C-N 3.34Å; S408-A410 PolarHBondContact O-N 3.27Å; S408-V411 PolarHBondContact O-N 3.41Å; S408-C412 PolarHBondContact O-N 2.93Å; S408-C412 PolarHBondContact O-SG 2.83Å
409Q90.9Very high89.6Confident55 Ų5543 Ų4326%0.25722%0.223SC..Hα-helixtrans-58.8-43.8172.5-178.5178.9-400111.8R405 L406 F407 L413 S687R405-Q409 WeakPolarHBondContact O-CB 3.49Å; R405-Q409 PolarHBondContact O-N 3.19Å; L406-Q409 PolarHBondContact O-N 3.03Å; F407-Q409 VanDerWaalsContact C-N 3.33Å; F407-Q409 PolarHBondContact O-N 3.45Å; Q409-L413 VanDerWaalsContact O-CB 3.3Å; Q409-L413 WeakPolarHBondContact O-CB 3.42Å; Q409-L413 PolarHBondContact O-N 3.44Å; Q409-S687 PolarHBondContact NE2-OG 2.9Å
410A90.3Very high90.2Very high0 Ų041.7 Ų41.70%021%0.214CC..Hα-helixtrans-63.2-43.1177.300000112.3L406 F407 S408 F474 L489 L780 I782L406-A410 PolarHBondContact O-N 3.22Å; F407-A410 WeakPolarHBondContact O-CB 3.34Å; F407-A410 PolarHBondContact O-N 2.73Å; F407-A410 VanDerWaalsContact O-N 3.13Å; S408-A410 VanDerWaalsContact C-N 3.34Å; S408-A410 PolarHBondContact O-N 3.27Å; A410-F474 HydrophobicContact CB-CD2 4.14Å; A410-F474 HydrophobicContact CB-CE2 4.09Å; A410-L489 HydrophobicContact CB-CD2 3.53Å; A410-L780 HydrophobicContact CB-CD2 3.91Å; A410-I782 HydrophobicContact CB-CD1 4.1Å; A410-I782 HydrophobicContact CB-CG1 3.67Å
411V90.4Very high90.8Very high45 Ų4541.4 Ų41.427%0.27321%0.211SC..Hα-helixtrans-64.3-51178.9172.70000111.3F407 S408 L413 Q414 I782 E798F407-V411 HydrophobicContact CD1-CG2 4.17Å; F407-V411 HydrophobicContact CE1-CG2 3.77Å; F407-V411 HydrophobicContact CZ-CG2 4.03Å; F407-V411 WeakPolarHBondContact O-CG2 3.43Å; F407-V411 PolarHBondContact O-N 2.87Å; S408-V411 PolarHBondContact O-N 3.41Å; V411-L413 VanDerWaalsContact C-N 3.3Å; V411-L413 PolarHBondContact O-N 3.04Å; V411-Q414 WeakPolarHBondContact O-CB 3.43Å; V411-Q414 PolarHBondContact O-N 3.3Å; V411-I782 HydrophobicContact CG2-CD1 3.99Å; V411-E798 HydrophobicContact CG1-CG 4.22Å
412C91Very high91.3Very high77 Ų7738.5 Ų38.552%0.5219%0.192SC..Hα-helixtrans-56.9-46.6-179.9-66.80000111.5S408 Q414S408-C412 PolarHBondContact O-N 2.93Å; S408-C412 PolarHBondContact O-SG 2.83Å; C412-Q414 PolarHBondContact O-N 3.48Å; C412-Q414 VanDerWaalsContact O-N 3.11Å
413L93Very high92Very high4 Ų442.2 Ų42.22%0.02120%0.202CC..Hα-helixtrans-63.2-18.1-175-167.663.7000114.5Q409 V411 K415 E416 L417 F474 R684 I685 V688Q409-L413 VanDerWaalsContact O-CB 3.3Å; Q409-L413 WeakPolarHBondContact O-CB 3.42Å; Q409-L413 PolarHBondContact O-N 3.44Å; V411-L413 VanDerWaalsContact C-N 3.3Å; V411-L413 PolarHBondContact O-N 3.04Å; L413-K415 VanDerWaalsContact C-N 3.28Å; L413-K415 PolarHBondContact O-N 2.83Å; L413-E416 VanDerWaalsContact CA-OE2 3.29Å; L413-E416 WeakPolarHBondContact CA-OE2 3.34Å; L413-E416 PolarHBondContact O-N 2.95Å; L413-L417 HydrophobicContact CD2-CD1 4.11Å; L413-L417 HydrophobicContact CG-CD1 3.9Å; L413-L417 HydrophobicContact CG-CG 4.07Å; L413-L417 WeakPolarHBondContact O-CB 3.2Å; L413-L417 WeakPolarHBondContact O-CG 3.42Å; L413-L417 PolarHBondContact O-N 2.92Å; L413-F474 HydrophobicContact CD2-CE1 4.23Å; L413-F474 HydrophobicContact CD2-CZ 4.32Å; L413-R684 HydrophobicContact CD1-CB 3.91Å; L413-I685 HydrophobicContact CD1-CG1 3.74Å; L413-V688 HydrophobicContact CD2-CB 4.2Å; L413-V688 HydrophobicContact CD2-CG1 3.71Å; L413-V688 HydrophobicContact CD2-CG2 3.43Å; L413-V688 VanDerWaalsContact CD2-CG2 3.43Å
414Q94.7Very high92.5Very high1 Ų139.7 Ų39.71%0.00519%0.185CC..Hα-helixtrans-62.6-35.1-176-17756.945.100112.2V411 C412 L417 S418 S472 I782 E798V411-Q414 WeakPolarHBondContact O-CB 3.43Å; V411-Q414 PolarHBondContact O-N 3.3Å; C412-Q414 PolarHBondContact O-N 3.48Å; C412-Q414 VanDerWaalsContact O-N 3.11Å; Q414-L417 PolarHBondContact O-N 2.83Å; Q414-S418 PolarHBondContact NE2-OG 3.04Å; Q414-S418 PolarHBondContact O-N 2.78Å; Q414-S418 PolarHBondContact O-OG 2.79Å; Q414-S472 PolarHBondContact OE1-OG 2.89Å; Q414-I782 HydrophobicContact CB-CG2 3.82Å; Q414-I782 HydrophobicContact CG-CG2 3.97Å; Q414-I782 PolarHBondContact OE1-O 3.38Å; Q414-E798 HydrophobicContact CB-CB 3.91Å; Q414-E798 HydrophobicContact CG-CB 3.95Å
415K92.8Very high93.1Very high75 Ų7533 Ų3333%0.32616%0.16SC..Hα-helixtrans-67.8-44.9177.6-87.8-178.4162.5131.80112.5L413 L417 S418 T419 H796 E798L413-K415 VanDerWaalsContact C-N 3.28Å; L413-K415 PolarHBondContact O-N 2.83Å; K415-L417 VanDerWaalsContact C-N 3.32Å; K415-L417 PolarHBondContact O-N 2.92Å; K415-S418 PolarHBondContact O-N 2.77Å; K415-T419 WeakPolarHBondContact O-CB 3.09Å; K415-T419 PolarHBondContact O-N 2.92Å; K415-T419 PolarHBondContact O-OG1 2.89Å; K415-H796 WeakPolarHBondContact CA-NE2 3.34Å; K415-H796 PolarHBondContact O-CE1 2.86Å; K415-H796 PolarHBondContact O-NE2 2.93Å; K415-E798 WeakPolarHBondContact CE-OE2 3.36Å; K415-E798 HydrophobicContact CG-CB 4.34Å; K415-E798 HydrophobicContact CG-CG 4.5Å; K415-E798 IonicContact NZ-OE1 2.94Å; K415-E798 PolarHBondContact NZ-OE1 2.86Å; K415-E798 IonicContact NZ-OE2 2.62Å; K415-E798 PolarHBondContact NZ-OE2 3.29Å
416E93.8Very high93.5Very high30 Ų3026 Ų2614%0.1413%0.134CC..Hα-helixtrans-67.2-36.2177.2-59.298.9134.500111.4L413 T419 L420 A681 R684 I685L413-E416 VanDerWaalsContact CA-OE2 3.29Å; L413-E416 WeakPolarHBondContact CA-OE2 3.34Å; L413-E416 PolarHBondContact O-N 2.95Å; E416-T419 PolarHBondContact O-N 3.44Å; E416-L420 VanDerWaalsContact O-CB 3.29Å; E416-L420 WeakPolarHBondContact O-CB 3.39Å; E416-L420 PolarHBondContact O-N 3.28Å; E416-A681 HydrophobicContact CG-CB 4.07Å; E416-R684 IonicContact OE1-CZ 3.65Å; E416-R684 IonicContact OE1-NE 3.36Å; E416-R684 PolarHBondContact OE1-NE 3Å; E416-R684 IonicContact OE1-NH2 3.97Å; E416-R684 PolarHBondContact OE1-NH2 2.89Å; E416-I685 HydrophobicContact CB-CD1 4.16Å
417L95.2Very high93.8Very high2 Ų227.2 Ų27.21%0.0114%0.14CC..Hα-helixtrans-64.2-47.5173.8-72.3170.1000111.8L413 Q414 K415 T419 L420 Y421 F474 I685L413-L417 HydrophobicContact CD2-CD1 4.11Å; L413-L417 HydrophobicContact CG-CD1 3.9Å; L413-L417 HydrophobicContact CG-CG 4.07Å; L413-L417 WeakPolarHBondContact O-CB 3.2Å; L413-L417 WeakPolarHBondContact O-CG 3.42Å; L413-L417 PolarHBondContact O-N 2.92Å; Q414-L417 PolarHBondContact O-N 2.83Å; K415-L417 VanDerWaalsContact C-N 3.32Å; K415-L417 PolarHBondContact O-N 2.92Å; L417-T419 VanDerWaalsContact C-N 3.33Å; L417-T419 PolarHBondContact O-N 2.79Å; L417-L420 WeakPolarHBondContact O-CB 3.49Å; L417-L420 PolarHBondContact O-N 2.71Å; L417-Y421 HydrophobicContact CD2-CE2 4.44Å; L417-Y421 WeakPolarHBondContact O-CD2 3.07Å; L417-Y421 PolarHBondContact O-N 3.04Å; L417-F474 HydrophobicContact CD1-CZ 4.03Å; L417-I685 HydrophobicContact CD2-CD1 4.45Å; L417-I685 HydrophobicContact CD2-CG1 4.34Å; L417-I685 HydrophobicContact CD2-CG2 4.42Å
418S94.7Very high94.2Very high1 Ų127.5 Ų27.51%0.00714%0.141CC..Hα-helixtrans-64.8-36.5177.6-67.80000112.7Q414 K415 H422 Q470Q414-S418 PolarHBondContact NE2-OG 3.04Å; Q414-S418 PolarHBondContact O-N 2.78Å; Q414-S418 PolarHBondContact O-OG 2.79Å; K415-S418 PolarHBondContact O-N 2.77Å; S418-H422 VanDerWaalsContact O-CB 3.3Å; S418-H422 WeakPolarHBondContact O-CB 3.37Å; S418-H422 PolarHBondContact O-N 3.05Å; S418-Q470 PolarHBondContact OG-OE1 2.8Å
419T94.9Very high94.5Very high27 Ų2731 Ų3117%0.16615%0.151CC..Hα-helixtrans-63.1-41.5171.5-53.80000112.4K415 E416 L417 R423 H796K415-T419 WeakPolarHBondContact O-CB 3.09Å; K415-T419 PolarHBondContact O-N 2.92Å; K415-T419 PolarHBondContact O-OG1 2.89Å; E416-T419 PolarHBondContact O-N 3.44Å; L417-T419 VanDerWaalsContact C-N 3.33Å; L417-T419 PolarHBondContact O-N 2.79Å; T419-R423 WeakPolarHBondContact O-CG 3.35Å; T419-R423 PolarHBondContact O-N 2.89Å; T419-H796 PolarHBondContact OG1-CE1 3.27Å
420L96.1Very high94.8Very high2 Ų229.1 Ų29.11%0.0114%0.143CC..Hα-helixtrans-63.1-54.3178.617460.8000111.1E416 L417 H422 R423 V424 L666 L672 F675 L676 I685E416-L420 VanDerWaalsContact O-CB 3.29Å; E416-L420 WeakPolarHBondContact O-CB 3.39Å; E416-L420 PolarHBondContact O-N 3.28Å; L417-L420 WeakPolarHBondContact O-CB 3.49Å; L417-L420 PolarHBondContact O-N 2.71Å; L420-H422 VanDerWaalsContact C-N 3.26Å; L420-H422 PolarHBondContact O-N 3.42Å; L420-R423 PolarHBondContact O-N 2.98Å; L420-V424 HydrophobicContact CD1-CG2 4.07Å; L420-V424 HydrophobicContact CG-CG2 4.45Å; L420-V424 VanDerWaalsContact O-CG2 3.24Å; L420-V424 WeakPolarHBondContact O-CG2 3.4Å; L420-V424 PolarHBondContact O-N 2.78Å; L420-L666 HydrophobicContact CD1-CD2 4.13Å; L420-L666 HydrophobicContact CD2-CD1 4.11Å; L420-L666 HydrophobicContact CG-CD1 4.23Å; L420-L672 HydrophobicContact CD1-CD2 4.03Å; L420-L672 HydrophobicContact CD2-CD2 3.52Å; L420-L672 HydrophobicContact CG-CD2 4.45Å; L420-F675 HydrophobicContact CD1-CB 3.5Å; L420-F675 VanDerWaalsContact CD1-CB 3.5Å; L420-F675 HydrophobicContact CD1-CD2 3.98Å; L420-F675 HydrophobicContact CD1-CG 3.98Å; L420-L676 HydrophobicContact CD1-CD1 4.32Å; L420-L676 HydrophobicContact CD1-CG 4.27Å; L420-I685 HydrophobicContact CD2-CD1 3.99Å
421Y96.8Very high95.1Very high4 Ų429.1 Ų29.12%0.01614%0.143CC..Hα-helixtrans-66.8-27.5-177.6-80.9-99.1000112.6L417 A425 V494 N496 A657 L666L417-Y421 HydrophobicContact CD2-CE2 4.44Å; L417-Y421 WeakPolarHBondContact O-CD2 3.07Å; L417-Y421 PolarHBondContact O-N 3.04Å; Y421-A425 WeakPolarHBondContact O-CB 3.22Å; Y421-A425 PolarHBondContact O-N 3.48Å; Y421-V494 HydrophobicContact CD1-CG1 4.45Å; Y421-V494 HydrophobicContact CD2-CG1 4.36Å; Y421-V494 HydrophobicContact CE1-CB 4.22Å; Y421-V494 HydrophobicContact CE1-CG1 4.09Å; Y421-V494 HydrophobicContact CE2-CB 4.21Å; Y421-V494 HydrophobicContact CE2-CG1 4.07Å; Y421-V494 HydrophobicContact CE2-CG2 3.87Å; Y421-V494 WeakPolarHBondContact OH-CG2 3.17Å; Y421-N496 WeakPolarHBondContact CD1-ND2 3.44Å; Y421-A657 HydrophobicContact CD1-CB 4.08Å; Y421-A657 WeakPolarHBondContact CE1-O 3.2Å; Y421-L666 HydrophobicContact CE2-CD1 4.35Å
422H96.4Very high95.4Very high8 Ų831.8 Ų31.84%0.03715%0.152CC..Hα-helixtrans-61.5-51.9168.6-174.174.9000112.6S418 L420 V424 A425 F426 F654 L786 S789S418-H422 VanDerWaalsContact O-CB 3.3Å; S418-H422 WeakPolarHBondContact O-CB 3.37Å; S418-H422 PolarHBondContact O-N 3.05Å; L420-H422 VanDerWaalsContact C-N 3.26Å; L420-H422 PolarHBondContact O-N 3.42Å; H422-V424 VanDerWaalsContact C-N 3.3Å; H422-V424 PolarHBondContact O-N 2.85Å; H422-A425 PolarHBondContact O-N 2.85Å; H422-F426 AromaticContact CE1-CD2 3.89Å; H422-F426 AromaticContact CE1-CE2 3.51Å; H422-F426 AromaticContact ND1-CE2 3.96Å; H422-F426 WeakPolarHBondContact O-CD2 3.4Å; H422-F426 PolarHBondContact O-N 2.9Å; H422-F654 HydrophobicContact CB-CE1 4.14Å; H422-F654 HydrophobicContact CB-CZ 4.32Å; H422-F654 AromaticContact ND1-CZ 3.45Å; H422-F654 WeakPolarHBondContact ND1-CZ 3.2Å; H422-L786 HydrophobicContact CB-CD1 3.98Å; H422-L786 HydrophobicContact CB-CD2 4.13Å; H422-L786 WeakPolarHBondContact ND1-CD2 3.25Å; H422-S789 PolarHBondContact CE1-O 2.95Å; H422-S789 VanDerWaalsContact CE1-O 3.3Å; H422-S789 PolarHBondContact NE2-O 2.79Å
423R96Very high95.6Very high119 Ų11932.8 Ų32.845%0.44916%0.16SC..Hα-helixtrans-65.5-35.1179.4-66.9176.2-179.6158.77.9112.3T419 L420 D427 F675T419-R423 WeakPolarHBondContact O-CG 3.35Å; T419-R423 PolarHBondContact O-N 2.89Å; L420-R423 PolarHBondContact O-N 2.98Å; R423-D427 PolarHBondContact O-N 2.86Å; R423-F675 HydrophobicContact CB-CB 4.28Å; R423-F675 HydrophobicContact CB-CD1 3.81Å; R423-F675 HydrophobicContact CB-CG 4.44Å; R423-F675 WeakPolarHBondContact CD-O 3.47Å; R423-F675 PolarHBondContact NH1-O 3.2Å
424V96.9Very high95.6Very high0 Ų033 Ų330%016%0.162CC..Hα-helixtrans-66.3-46.2176.51710000112L420 H422 F426 D427 F430 M431 A657 V662 L666 F675L420-V424 HydrophobicContact CD1-CG2 4.07Å; L420-V424 HydrophobicContact CG-CG2 4.45Å; L420-V424 VanDerWaalsContact O-CG2 3.24Å; L420-V424 WeakPolarHBondContact O-CG2 3.4Å; L420-V424 PolarHBondContact O-N 2.78Å; H422-V424 VanDerWaalsContact C-N 3.3Å; H422-V424 PolarHBondContact O-N 2.85Å; V424-F426 PolarHBondContact O-N 2.93Å; V424-D427 PolarHBondContact O-N 3.29Å; V424-D427 VanDerWaalsContact O-N 3.13Å; V424-F430 HydrophobicContact CG1-CD1 4.07Å; V424-F430 HydrophobicContact CG1-CE1 3.89Å; V424-M431 HydrophobicContact CG1-SD 3.73Å; V424-M431 WeakPolarHBondContact O-CG 3.32Å; V424-A657 HydrophobicContact CG1-CB 3.94Å; V424-V662 HydrophobicContact CG1-CG1 3.78Å; V424-L666 HydrophobicContact CG2-CD1 4.02Å; V424-L666 HydrophobicContact CG2-CD2 3.95Å; V424-F675 HydrophobicContact CB-CE1 4.49Å; V424-F675 HydrophobicContact CB-CZ 4.45Å; V424-F675 HydrophobicContact CG2-CD1 4Å; V424-F675 HydrophobicContact CG2-CD2 3.65Å; V424-F675 HydrophobicContact CG2-CE1 3.94Å; V424-F675 HydrophobicContact CG2-CE2 3.6Å; V424-F675 HydrophobicContact CG2-CG 3.85Å; V424-F675 HydrophobicContact CG2-CZ 3.75Å
425A96.9Very high95.6Very high0 Ų033 Ų330%016%0.162CC..Hα-helixtrans-57.6-34.1-179.900000112.8Y421 H422 Y452 W651 F654 A657Y421-A425 WeakPolarHBondContact O-CB 3.22Å; Y421-A425 PolarHBondContact O-N 3.48Å; H422-A425 PolarHBondContact O-N 2.85Å; A425-Y452 VanDerWaalsContact O-CE2 3.29Å; A425-Y452 WeakPolarHBondContact O-CE2 3.35Å; A425-Y452 PolarHBondContact O-OH 2.85Å; A425-W651 HydrophobicContact CB-CZ2 4.04Å; A425-W651 WeakPolarHBondContact O-CZ2 3.46Å; A425-F654 HydrophobicContact CB-CD1 3.77Å; A425-F654 HydrophobicContact CB-CE1 4.08Å; A425-F654 HydrophobicContact CB-CG 4.25Å; A425-A657 HydrophobicContact CB-CB 4.32Å
426F96.1Very high95.7Very high4 Ų435.9 Ų35.92%0.01818%0.175CC..THydrogen-bonded Turntrans-913-178-82.1-68.5000114.8H422 V424 A466 W651 K790H422-F426 AromaticContact CE1-CD2 3.89Å; H422-F426 AromaticContact CE1-CE2 3.51Å; H422-F426 AromaticContact ND1-CE2 3.96Å; H422-F426 WeakPolarHBondContact O-CD2 3.4Å; H422-F426 PolarHBondContact O-N 2.9Å; V424-F426 PolarHBondContact O-N 2.93Å; F426-A466 HydrophobicContact CZ-CB 4.29Å; F426-W651 HydrophobicContact CD1-CH2 4.29Å; F426-W651 AromaticContact CD1-CZ2 3.88Å; F426-W651 HydrophobicContact CD1-CZ2 3.88Å; F426-W651 HydrophobicContact CD2-CZ2 4.4Å; F426-W651 HydrophobicContact CE1-CH2 4.34Å; F426-W651 AromaticContact CE1-CZ2 3.85Å; F426-W651 HydrophobicContact CE1-CZ2 3.85Å; F426-W651 HydrophobicContact CE2-CZ2 4.35Å; F426-W651 HydrophobicContact CG-CZ2 4.18Å; F426-W651 HydrophobicContact CZ-CZ2 4.09Å; F426-K790 HydrophobicContact CB-CB 3.99Å; F426-K790 HydrophobicContact CB-CD 3.95Å; F426-K790 HydrophobicContact CB-CG 3.87Å; F426-K790 HydrophobicContact CD1-CB 3.69Å; F426-K790 HydrophobicContact CD1-CD 4.38Å; F426-K790 HydrophobicContact CD1-CG 4.4Å; F426-K790 HydrophobicContact CD2-CB 4.41Å; F426-K790 HydrophobicContact CE1-CB 4.22Å; F426-K790 HydrophobicContact CG-CB 3.79Å; F426-K790 HydrophobicContact CG-CD 4.49Å; F426-K790 HydrophobicContact CG-CG 4.24Å
427D95.7Very high95.6Very high27 Ų2734.9 Ų34.914%0.14417%0.173CC..  trans-103.189.6-180-168.4-32.7000111.7R423 V424 E429 F430 M431 R674 F675R423-D427 PolarHBondContact O-N 2.86Å; V424-D427 PolarHBondContact O-N 3.29Å; V424-D427 VanDerWaalsContact O-N 3.13Å; D427-E429 PolarHBondContact O-N 3.35Å; D427-E429 PolarHBondContact OD1-N 3.38Å; D427-F430 HydrophobicContact CB-CB 4.07Å; D427-F430 PolarHBondContact O-N 2.83Å; D427-F430 WeakPolarHBondContact OD1-CB 3.41Å; D427-F430 PolarHBondContact OD1-N 2.85Å; D427-M431 WeakPolarHBondContact O-CB 3.45Å; D427-M431 VanDerWaalsContact O-CG 3.31Å; D427-M431 WeakPolarHBondContact O-CG 3.31Å; D427-M431 PolarHBondContact O-N 3.43Å; D427-R674 VanDerWaalsContact CG-NH2 3.32Å; D427-R674 IonicContact OD1-CZ 3.74Å; D427-R674 IonicContact OD1-NE 3.22Å; D427-R674 IonicContact OD1-NH2 2.69Å; D427-R674 PolarHBondContact OD1-NH2 2.85Å; D427-R674 IonicContact OD2-CZ 3.92Å; D427-R674 VanDerWaalsContact OD2-CZ 3.28Å; D427-R674 IonicContact OD2-NE 3.66Å; D427-R674 PolarHBondContact OD2-NE 3.39Å; D427-R674 IonicContact OD2-NH2 2.79Å; D427-R674 PolarHBondContact OD2-NH2 3.14Å; D427-F675 HydrophobicContact CB-CE1 3.77Å; D427-F675 HydrophobicContact CB-CZ 4.29Å; D427-F675 WeakPolarHBondContact OD2-CE1 3.31Å
428F96Very high95.5Very high41 Ų4134.9 Ų34.918%0.1817%0.173CC..Hα-helixtrans-59.3-42-176.3-175.1-101.8000113.3M431 Q432 F449 Y452 T453 M456 M457F428-M431 PolarHBondContact O-N 2.81Å; F428-Q432 WeakPolarHBondContact O-CB 3.27Å; F428-Q432 PolarHBondContact O-N 3.36Å; F428-F449 HydrophobicContact CE2-CZ 4.49Å; F428-Y452 HydrophobicContact CD2-CD1 4.18Å; F428-Y452 AromaticContact CD2-CE1 3.56Å; F428-Y452 HydrophobicContact CD2-CE1 3.56Å; F428-Y452 HydrophobicContact CE2-CD1 4.28Å; F428-Y452 HydrophobicContact CE2-CE1 4.08Å; F428-T453 HydrophobicContact CE2-CG2 4.24Å; F428-T453 HydrophobicContact CZ-CG2 4.19Å; F428-M456 HydrophobicContact CB-CE 3.85Å; F428-M456 HydrophobicContact CD2-CB 3.77Å; F428-M456 HydrophobicContact CD2-CG 3.94Å; F428-M456 HydrophobicContact CE2-CB 4.27Å; F428-M456 HydrophobicContact CG-CB 4.48Å; F428-M457 HydrophobicContact CE1-CE 4.23Å; F428-M457 HydrophobicContact CZ-CE 4.04Å
429E96.2Very high95.5Very high128 Ų12837 Ų3760%0.59819%0.185SC*.Hα-helixtrans-63-46.7-180-61.8179.5158.600111.2D427 S433 R674D427-E429 PolarHBondContact O-N 3.35Å; D427-E429 PolarHBondContact OD1-N 3.38Å; E429-S433 WeakPolarHBondContact O-CB 3.49Å; E429-S433 PolarHBondContact O-N 3.5Å; E429-R674 IonicContact OE2-CZ 3.83Å; E429-R674 IonicContact OE2-NH1 2.34Å; E429-R674 IonicContact OE2-NH2 3.16Å; E429-R674 PolarHBondContact OE2-NH2 3.35Å
430F96.9Very high95.4Very high17 Ų1739.7 Ų39.78%0.07520%0.196CC..Hα-helixtrans-64.1-47.6177.4177.1-96.2000110.8V424 D427 Q432 S433 A434 V662 L665 L666 N671 F675V424-F430 HydrophobicContact CG1-CD1 4.07Å; V424-F430 HydrophobicContact CG1-CE1 3.89Å; D427-F430 HydrophobicContact CB-CB 4.07Å; D427-F430 PolarHBondContact O-N 2.83Å; D427-F430 WeakPolarHBondContact OD1-CB 3.41Å; D427-F430 PolarHBondContact OD1-N 2.85Å; F430-Q432 PolarHBondContact O-N 2.87Å; F430-S433 PolarHBondContact O-N 3.37Å; F430-A434 HydrophobicContact CD1-CB 4.46Å; F430-A434 HydrophobicContact CE1-CB 4.24Å; F430-A434 HydrophobicContact CZ-CB 4.46Å; F430-A434 WeakPolarHBondContact O-CB 3.28Å; F430-A434 PolarHBondContact O-N 2.86Å; F430-V662 HydrophobicContact CE1-CG1 4.35Å; F430-L665 HydrophobicContact CZ-CB 4.23Å; F430-L665 HydrophobicContact CZ-CD1 4.48Å; F430-L666 HydrophobicContact CZ-CD2 4.18Å; F430-N671 HydrophobicContact CE2-CB 4.33Å; F430-F675 HydrophobicContact CB-CZ 3.89Å; F430-F675 HydrophobicContact CD1-CE2 4.09Å; F430-F675 AromaticContact CD1-CZ 3.66Å; F430-F675 HydrophobicContact CD1-CZ 3.66Å; F430-F675 AromaticContact CD2-CE2 3.98Å; F430-F675 HydrophobicContact CD2-CE2 3.98Å; F430-F675 AromaticContact CD2-CZ 3.88Å; F430-F675 HydrophobicContact CD2-CZ 3.88Å; F430-F675 HydrophobicContact CE1-CE2 4.09Å; F430-F675 HydrophobicContact CE1-CZ 4.13Å; F430-F675 AromaticContact CE2-CE2 3.98Å; F430-F675 HydrophobicContact CE2-CE2 3.98Å; F430-F675 HydrophobicContact CE2-CZ 4.32Å; F430-F675 HydrophobicContact CG-CE2 4.04Å; F430-F675 AromaticContact CG-CZ 3.52Å; F430-F675 HydrophobicContact CG-CZ 3.52Å; F430-F675 HydrophobicContact CZ-CE2 4.03Å; F430-F675 HydrophobicContact CZ-CZ 4.43Å
431M96.5Very high95.1Very high0 Ų040.9 Ų40.90%021%0.205CC..Hα-helixtrans-62.6-42.4-179.2-72.1-59.1-66.500112.2V424 D427 F428 A434 L435 Y452 L656 V662V424-M431 HydrophobicContact CG1-SD 3.73Å; V424-M431 WeakPolarHBondContact O-CG 3.32Å; D427-M431 WeakPolarHBondContact O-CB 3.45Å; D427-M431 VanDerWaalsContact O-CG 3.31Å; D427-M431 WeakPolarHBondContact O-CG 3.31Å; D427-M431 PolarHBondContact O-N 3.43Å; F428-M431 PolarHBondContact O-N 2.81Å; M431-A434 PolarHBondContact O-N 3.12Å; M431-L435 HydrophobicContact CE-CD1 3.69Å; M431-L435 WeakPolarHBondContact O-CB 3.16Å; M431-L435 PolarHBondContact O-N 2.95Å; M431-Y452 HydrophobicContact CB-CE1 3.81Å; M431-Y452 HydrophobicContact CG-CE1 4.39Å; M431-L656 HydrophobicContact CE-CB 3.41Å; M431-L656 VanDerWaalsContact CE-CB 3.41Å; M431-V662 HydrophobicContact CE-CG2 4.17Å; M431-V662 HydrophobicContact SD-CG2 4.01Å
432Q96.6Very high94.7Very high100 Ų10042 Ų4247%0.46721%0.211SC..Hα-helixtrans-63.1-46.5174.9-172.9-178.670.800111.6F428 F430 K436 F449F428-Q432 WeakPolarHBondContact O-CB 3.27Å; F428-Q432 PolarHBondContact O-N 3.36Å; F430-Q432 PolarHBondContact O-N 2.87Å; Q432-K436 WeakPolarHBondContact O-CB 2.98Å; Q432-K436 PolarHBondContact O-N 2.77Å; Q432-K436 VanDerWaalsContact O-N 3.11Å; Q432-F449 HydrophobicContact CB-CZ 3.89Å; Q432-F449 HydrophobicContact CG-CZ 4.17Å
433S94.6Very high94.5Very high99 Ų9946.4 Ų46.469%0.69224%0.24SC*.Hα-helixtrans-67.6-34.9177.7-1720000112.9E429 F430E429-S433 WeakPolarHBondContact O-CB 3.49Å; E429-S433 PolarHBondContact O-N 3.5Å; F430-S433 PolarHBondContact O-N 3.37Å
434A94.3Very high94.3Very high8 Ų841.4 Ų41.47%0.06622%0.222CC..Hα-helixtrans-72.6-39-177.300000112.8F430 M431 K661 V662 L665F430-A434 HydrophobicContact CD1-CB 4.46Å; F430-A434 HydrophobicContact CE1-CB 4.24Å; F430-A434 HydrophobicContact CZ-CB 4.46Å; F430-A434 WeakPolarHBondContact O-CB 3.28Å; F430-A434 PolarHBondContact O-N 2.86Å; M431-A434 PolarHBondContact O-N 3.12Å; A434-K661 WeakPolarHBondContact O-CE 3.45Å; A434-K661 WeakPolarHBondContact O-CG 3.48Å; A434-V662 HydrophobicContact CB-CG2 4.46Å; A434-L665 HydrophobicContact CB-CD1 3.43Å; A434-L665 VanDerWaalsContact CB-CD1 3.43Å
435L95.2Very high94.2Very high0 Ų041.6 Ų41.60%022%0.223CC..Hα-helixtrans-104.1-4.6-172-63.6-178000114.6M431 G437 V438 V439 F449 L656 K661 V662M431-L435 HydrophobicContact CE-CD1 3.69Å; M431-L435 WeakPolarHBondContact O-CB 3.16Å; M431-L435 PolarHBondContact O-N 2.95Å; L435-G437 VanDerWaalsContact C-N 3.32Å; L435-G437 PolarHBondContact O-N 2.79Å; L435-G437 VanDerWaalsContact O-N 3.15Å; L435-V438 HydrophobicContact CD2-CB 4.37Å; L435-V438 HydrophobicContact CD2-CG2 4.14Å; L435-V438 CarbonylContact O-C 3.6Å; L435-V438 WeakPolarHBondContact O-CA 3.44Å; L435-V438 WeakPolarHBondContact O-CB 3.4Å; L435-V438 PolarHBondContact O-N 3.46Å; L435-V439 HydrophobicContact CB-CG2 4.29Å; L435-V439 WeakPolarHBondContact O-CG2 3.35Å; L435-V439 PolarHBondContact O-N 3.02Å; L435-F449 HydrophobicContact CB-CD2 4.35Å; L435-F449 HydrophobicContact CB-CE2 4.43Å; L435-F449 HydrophobicContact CD1-CD2 4.19Å; L435-L656 HydrophobicContact CD1-CB 4.06Å; L435-L656 HydrophobicContact CD1-CD2 4.01Å; L435-L656 HydrophobicContact CD1-CG 4.47Å; L435-K661 HydrophobicContact CD2-CB 4.02Å; L435-K661 HydrophobicContact CD2-CG 4.03Å; L435-V662 HydrophobicContact CD2-CG2 4.19Å; L435-V662 HydrophobicContact CG-CG2 4.45Å
436K93.9Very high94.1Very high136 Ų13642.4 Ų42.459%0.59123%0.229SC*.Hα-helixtrans-42.4-53.8-179.5-178.6176.9178.6178.20113.8Q432 V438 V439 E440Q432-K436 WeakPolarHBondContact O-CB 2.98Å; Q432-K436 PolarHBondContact O-N 2.77Å; Q432-K436 VanDerWaalsContact O-N 3.11Å; K436-V438 PolarHBondContact O-N 3.02Å; K436-V439 PolarHBondContact O-N 3.38Å; K436-E440 WeakPolarHBondContact CE-OE1 3.41Å; K436-E440 WeakPolarHBondContact O-CG 3.48Å; K436-E440 PolarHBondContact O-N 3.38Å; K436-E440 VanDerWaalsContact O-N 3.1Å
437G91.5Very high94.1Very high10 Ų1045.6 Ų45.610%0.10324%0.243CC..Hα-helixtrans-68.7-30.3179.900000114.7L435 S441 E747L435-G437 VanDerWaalsContact C-N 3.32Å; L435-G437 PolarHBondContact O-N 2.79Å; L435-G437 VanDerWaalsContact O-N 3.15Å; G437-S441 PolarHBondContact O-N 2.64Å; G437-S441 PolarHBondContact O-OG 3.34Å; G437-E747 VanDerWaalsContact CA-OE2 3.24Å; G437-E747 WeakPolarHBondContact CA-OE2 3.22Å
438V93.2Very high94.1Very high2 Ų244.4 Ų44.41%0.01224%0.237CC..Hα-helixtrans-70.5-43.9174.1-176.90000110.4L435 K436 E440 S441 D442 T445 K661 Q721L435-V438 HydrophobicContact CD2-CB 4.37Å; L435-V438 HydrophobicContact CD2-CG2 4.14Å; L435-V438 CarbonylContact O-C 3.6Å; L435-V438 WeakPolarHBondContact O-CA 3.44Å; L435-V438 WeakPolarHBondContact O-CB 3.4Å; L435-V438 PolarHBondContact O-N 3.46Å; K436-V438 PolarHBondContact O-N 3.02Å; V438-E440 VanDerWaalsContact C-N 3.26Å; V438-E440 PolarHBondContact O-N 3.34Å; V438-S441 WeakPolarHBondContact CA-OG 3.28Å; V438-S441 PolarHBondContact O-N 3.18Å; V438-S441 PolarHBondContact O-OG 3.41Å; V438-D442 HydrophobicContact CG1-CB 4.29Å; V438-D442 PolarHBondContact O-N 3.34Å; V438-T445 HydrophobicContact CB-CG2 4.45Å; V438-T445 HydrophobicContact CG1-CG2 3.65Å; V438-K661 HydrophobicContact CG2-CB 4.05Å; V438-K661 HydrophobicContact CG2-CG 3.89Å; V438-Q721 HydrophobicContact CG1-CG 3.66Å; V438-Q721 HydrophobicContact CG2-CG 4.39Å
439V94.5Very high94.1Very high44 Ų4443.4 Ų43.427%0.26723%0.233SC..Hα-helixtrans-63.2-33.5177170.10000111.4L435 K436 S441 T445 A446 F449L435-V439 HydrophobicContact CB-CG2 4.29Å; L435-V439 WeakPolarHBondContact O-CG2 3.35Å; L435-V439 PolarHBondContact O-N 3.02Å; K436-V439 PolarHBondContact O-N 3.38Å; V439-S441 VanDerWaalsContact C-N 3.29Å; V439-S441 PolarHBondContact O-N 3.36Å; V439-T445 HydrophobicContact CG2-CG2 4.39Å; V439-A446 HydrophobicContact CG1-CB 4.09Å; V439-F449 HydrophobicContact CG2-CB 3.61Å; V439-F449 HydrophobicContact CG2-CD1 4.25Å; V439-F449 HydrophobicContact CG2-CD2 3.99Å; V439-F449 HydrophobicContact CG2-CG 3.66Å
440E93.1Very high94.2Very high84 Ų8442.7 Ų42.739%0.39323%0.229SC..THydrogen-bonded Turntrans-71.6-16.3172.4-70.9177.4-148.500113.9K436 V438 R697 L744K436-E440 WeakPolarHBondContact CE-OE1 3.41Å; K436-E440 WeakPolarHBondContact O-CG 3.48Å; K436-E440 PolarHBondContact O-N 3.38Å; K436-E440 VanDerWaalsContact O-N 3.1Å; V438-E440 VanDerWaalsContact C-N 3.26Å; V438-E440 PolarHBondContact O-N 3.34Å; E440-R697 IonicContact OE1-NH2 2.69Å; E440-R697 IonicContact OE2-CZ 3.87Å; E440-R697 IonicContact OE2-NH1 2.93Å; E440-R697 PolarHBondContact OE2-NH1 2.78Å; E440-R697 IonicContact OE2-NH2 3.54Å; E440-R697 PolarHBondContact OE2-NH2 2.97Å; E440-L744 HydrophobicContact CB-CD1 3.61Å
441S89.6Confident94.2Very high27 Ų2742.3 Ų42.319%0.18923%0.228CC..THydrogen-bonded Turntrans-121.4-25.7-171.252.20000116.3G437 V438 V439 L744 S748G437-S441 PolarHBondContact O-N 2.64Å; G437-S441 PolarHBondContact O-OG 3.34Å; V438-S441 WeakPolarHBondContact CA-OG 3.28Å; V438-S441 PolarHBondContact O-N 3.18Å; V438-S441 PolarHBondContact O-OG 3.41Å; V439-S441 VanDerWaalsContact C-N 3.29Å; V439-S441 PolarHBondContact O-N 3.36Å; S441-L744 WeakPolarHBondContact CB-O 3.35Å; S441-S748 PolarHBondContact OG-N 2.92Å
442D89.3Confident94.3Very high28 Ų2842.3 Ų42.315%0.1523%0.228CC..  trans-118.2106.7180172.226.1000111.1V438 F444 T445 A446V438-D442 HydrophobicContact CG1-CB 4.29Å; V438-D442 PolarHBondContact O-N 3.34Å; D442-F444 PolarHBondContact O-N 3.36Å; D442-F444 VanDerWaalsContact O-N 3.15Å; D442-F444 WeakPolarHBondContact OD1-CB 3.25Å; D442-F444 PolarHBondContact OD1-N 2.78Å; D442-T445 PolarHBondContact O-N 3.39Å; D442-T445 VanDerWaalsContact OD2-CB 3.23Å; D442-T445 WeakPolarHBondContact OD2-CB 3.37Å; D442-T445 PolarHBondContact OD2-N 3.35Å; D442-T445 PolarHBondContact OD2-OG1 2.94Å; D442-A446 WeakPolarHBondContact O-CB 3.29Å; D442-A446 PolarHBondContact O-N 2.97Å
443P91.5Very high94.3Very high101 Ų10139.5 Ų39.566%0.65622%0.218SC*.Hα-helixtrans-57-28.2178.4-26.735.5000114.7K447P443-K447 PolarHBondContact O-N 2.8Å; P443-K447 VanDerWaalsContact O-N 3.11Å
444F92.1Very high94.4Very high14 Ų1436.7 Ų36.76%0.06120%0.2CC..Hα-helixtrans-71.7-50.4178.6178.1-110.7000111.2D442 A446 K447 L448 P626 F629 W635 L722D442-F444 PolarHBondContact O-N 3.36Å; D442-F444 VanDerWaalsContact O-N 3.15Å; D442-F444 WeakPolarHBondContact OD1-CB 3.25Å; D442-F444 PolarHBondContact OD1-N 2.78Å; F444-A446 VanDerWaalsContact C-N 3.27Å; F444-A446 PolarHBondContact O-N 3.4Å; F444-K447 PolarHBondContact O-N 3.34Å; F444-L448 HydrophobicContact CD1-CD1 4.06Å; F444-L448 HydrophobicContact CE1-CD1 3.65Å; F444-L448 HydrophobicContact CE2-CD1 4.43Å; F444-L448 HydrophobicContact CZ-CD1 3.85Å; F444-L448 WeakPolarHBondContact O-CG 3.47Å; F444-L448 PolarHBondContact O-N 3.18Å; F444-L448 VanDerWaalsContact O-N 3.15Å; F444-P626 HydrophobicContact CB-CB 4.4Å; F444-P626 HydrophobicContact CB-CG 3.9Å; F444-P626 HydrophobicContact CD1-CG 4.18Å; F444-P626 HydrophobicContact CD2-CB 3.98Å; F444-P626 HydrophobicContact CD2-CG 3.88Å; F444-P626 HydrophobicContact CE2-CG 4.46Å; F444-P626 HydrophobicContact CG-CB 4.27Å; F444-P626 HydrophobicContact CG-CG 3.72Å; F444-F629 AromaticContact CE2-CD2 3.94Å; F444-F629 HydrophobicContact CE2-CD2 3.94Å; F444-F629 AromaticContact CE2-CE2 3.69Å; F444-F629 HydrophobicContact CE2-CE2 3.69Å; F444-F629 HydrophobicContact CZ-CE2 4.31Å; F444-W635 AromaticContact CD2-CH2 3.67Å; F444-W635 HydrophobicContact CD2-CH2 3.67Å; F444-W635 AromaticContact CD2-CZ2 3.89Å; F444-W635 HydrophobicContact CD2-CZ2 3.89Å; F444-W635 AromaticContact CE2-CH2 3.74Å; F444-W635 HydrophobicContact CE2-CH2 3.74Å; F444-W635 HydrophobicContact CE2-CZ2 4.16Å; F444-L722 HydrophobicContact CD1-CD2 4.03Å; F444-L722 HydrophobicContact CE1-CD2 4.48Å
445T93.4Very high94.5Very high4 Ų436.3 Ų36.33%0.02520%0.197CC..Hα-helixtrans-62.5-35173.3-59.60000111.6V438 V439 D442 L448 F449 L656V438-T445 HydrophobicContact CB-CG2 4.45Å; V438-T445 HydrophobicContact CG1-CG2 3.65Å; V439-T445 HydrophobicContact CG2-CG2 4.39Å; D442-T445 PolarHBondContact O-N 3.39Å; D442-T445 VanDerWaalsContact OD2-CB 3.23Å; D442-T445 WeakPolarHBondContact OD2-CB 3.37Å; D442-T445 PolarHBondContact OD2-N 3.35Å; D442-T445 PolarHBondContact OD2-OG1 2.94Å; T445-L448 PolarHBondContact O-N 3.5Å; T445-F449 WeakPolarHBondContact O-CB 3.42Å; T445-F449 PolarHBondContact O-N 2.89Å; T445-L656 HydrophobicContact CG2-CD2 3.99Å
446A95.4Very high94.5Very high16 Ų1637.4 Ų37.413%0.13220%0.203CC..Hα-helixtrans-59.3-50.9175.300000112.4V439 D442 F444 L448 F449 E450V439-A446 HydrophobicContact CG1-CB 4.09Å; D442-A446 WeakPolarHBondContact O-CB 3.29Å; D442-A446 PolarHBondContact O-N 2.97Å; F444-A446 VanDerWaalsContact C-N 3.27Å; F444-A446 PolarHBondContact O-N 3.4Å; A446-L448 VanDerWaalsContact C-N 3.33Å; A446-L448 PolarHBondContact O-N 2.68Å; A446-F449 CarbonylContact O-C 3.57Å; A446-F449 WeakPolarHBondContact O-CA 3.47Å; A446-F449 WeakPolarHBondContact O-CB 3.44Å; A446-F449 PolarHBondContact O-N 3.26Å; A446-E450 PolarHBondContact O-N 3.12Å
447K95.6Very high94.5Very high71 Ų7137.1 Ų37.131%0.30921%0.205SC..Hα-helixtrans-59.2-40175.6-78.8-79.4177.31770113P443 F444 F449 E450 I451 D632 W635P443-K447 PolarHBondContact O-N 2.8Å; P443-K447 VanDerWaalsContact O-N 3.11Å; F444-K447 PolarHBondContact O-N 3.34Å; K447-F449 VanDerWaalsContact C-N 3.33Å; K447-E450 IonicContact NZ-OE2 2.77Å; K447-E450 PolarHBondContact O-N 3.42Å; K447-I451 WeakPolarHBondContact O-CG1 3.48Å; K447-I451 PolarHBondContact O-N 3.41Å; K447-D632 IonicContact NZ-OD1 3.99Å; K447-W635 HydrophobicContact CB-CD2 4.27Å; K447-W635 HydrophobicContact CB-CE3 3.94Å; K447-W635 HydrophobicContact CB-CH2 3.57Å; K447-W635 HydrophobicContact CB-CZ2 3.93Å; K447-W635 HydrophobicContact CB-CZ3 3.58Å; K447-W635 HydrophobicContact CD-CD2 4.4Å; K447-W635 HydrophobicContact CG-CD2 4.49Å; K447-W635 HydrophobicContact CG-CH2 4.43Å; K447-W635 HydrophobicContact CG-CZ2 4.3Å
448L96.4Very high94.5Very high3 Ų339 Ų392%0.01621%0.211CC..Hα-helixtrans-64.9-37.3173.4-67.8171.3000112F444 T445 A446 I451 Y452 W635 L638 V652 H655 L656F444-L448 HydrophobicContact CD1-CD1 4.06Å; F444-L448 HydrophobicContact CE1-CD1 3.65Å; F444-L448 HydrophobicContact CE2-CD1 4.43Å; F444-L448 HydrophobicContact CZ-CD1 3.85Å; F444-L448 WeakPolarHBondContact O-CG 3.47Å; F444-L448 PolarHBondContact O-N 3.18Å; F444-L448 VanDerWaalsContact O-N 3.15Å; T445-L448 PolarHBondContact O-N 3.5Å; A446-L448 VanDerWaalsContact C-N 3.33Å; A446-L448 PolarHBondContact O-N 2.68Å; L448-I451 PolarHBondContact O-N 2.57Å; L448-Y452 WeakPolarHBondContact O-CB 3.42Å; L448-Y452 PolarHBondContact O-N 3.08Å; L448-W635 HydrophobicContact CD2-CH2 4.44Å; L448-W635 HydrophobicContact CD2-CZ3 4.02Å; L448-W635 HydrophobicContact CG-CH2 4.38Å; L448-W635 HydrophobicContact CG-CZ3 4.29Å; L448-L638 HydrophobicContact CD2-CD2 4.25Å; L448-V652 HydrophobicContact CB-CG2 4.21Å; L448-V652 HydrophobicContact CD2-CG2 4.19Å; L448-V652 VanDerWaalsContact O-CG2 3.29Å; L448-V652 WeakPolarHBondContact O-CG2 3.46Å; L448-H655 VanDerWaalsContact CD1-CE1 3.49Å; L448-H655 WeakPolarHBondContact CD1-CE1 3.09Å; L448-L656 HydrophobicContact CB-CD2 3.72Å; L448-L656 HydrophobicContact CB-CG 4.31Å; L448-L656 HydrophobicContact CD1-CD2 4.47Å
449F97Very high94.3Very high20 Ų2048.3 Ų48.39%0.08826%0.255CS..Hα-helixtrans-72.3-32.6178.2-160.7-84.3000113.1F428 Q432 L435 V439 T445 A446 K447 Y452 T453 L656F428-F449 HydrophobicContact CE2-CZ 4.49Å; Q432-F449 HydrophobicContact CB-CZ 3.89Å; Q432-F449 HydrophobicContact CG-CZ 4.17Å; L435-F449 HydrophobicContact CB-CD2 4.35Å; L435-F449 HydrophobicContact CB-CE2 4.43Å; L435-F449 HydrophobicContact CD1-CD2 4.19Å; V439-F449 HydrophobicContact CG2-CB 3.61Å; V439-F449 HydrophobicContact CG2-CD1 4.25Å; V439-F449 HydrophobicContact CG2-CD2 3.99Å; V439-F449 HydrophobicContact CG2-CG 3.66Å; T445-F449 WeakPolarHBondContact O-CB 3.42Å; T445-F449 PolarHBondContact O-N 2.89Å; A446-F449 CarbonylContact O-C 3.57Å; A446-F449 WeakPolarHBondContact O-CA 3.47Å; A446-F449 WeakPolarHBondContact O-CB 3.44Å; A446-F449 PolarHBondContact O-N 3.26Å; K447-F449 VanDerWaalsContact C-N 3.33Å; F449-Y452 HydrophobicContact CD2-CD1 4.3Å; F449-Y452 AromaticContact CE2-CD1 3.96Å; F449-Y452 HydrophobicContact CE2-CD1 3.96Å; F449-Y452 HydrophobicContact CE2-CE1 4.29Å; F449-Y452 HydrophobicContact CZ-CD1 4.17Å; F449-Y452 HydrophobicContact CZ-CE1 4.46Å; F449-Y452 PolarHBondContact O-N 2.89Å; F449-T453 WeakPolarHBondContact CE1-OG1 3.37Å; F449-T453 WeakPolarHBondContact O-CB 3.49Å; F449-T453 PolarHBondContact O-N 2.82Å; F449-T453 PolarHBondContact O-OG1 3.18Å; F449-L656 HydrophobicContact CD2-CD1 4.05Å
450E97.2Very high94Very high112 Ų11248.5 Ų48.552%0.52327%0.266SS..Hα-helixtrans-58.1-50168.9-72.5170.3-166.900110.7A446 K447 T453 A454A446-E450 PolarHBondContact O-N 3.12Å; K447-E450 IonicContact NZ-OE2 2.77Å; K447-E450 PolarHBondContact O-N 3.42Å; E450-T453 PolarHBondContact O-N 2.89Å; E450-A454 PolarHBondContact O-N 3.23Å
451I97.3Very high93.8Very high10 Ų1045.1 Ų45.15%0.05125%0.251CS..Hα-helixtrans-63.8-44.3178-61.8172.2000110.8K447 L448 T453 A454 V455 W635 L638 L639 E642 V652K447-I451 WeakPolarHBondContact O-CG1 3.48Å; K447-I451 PolarHBondContact O-N 3.41Å; L448-I451 PolarHBondContact O-N 2.57Å; I451-T453 VanDerWaalsContact C-N 3.31Å; I451-T453 PolarHBondContact O-N 2.96Å; I451-A454 PolarHBondContact O-N 3.28Å; I451-V455 WeakPolarHBondContact O-CG2 3.36Å; I451-V455 PolarHBondContact O-N 3.14Å; I451-W635 HydrophobicContact CD1-CE3 3.95Å; I451-W635 HydrophobicContact CD1-CZ3 4.31Å; I451-L638 HydrophobicContact CD1-CB 4.34Å; I451-L638 HydrophobicContact CD1-CD2 3.84Å; I451-L638 HydrophobicContact CD1-CG 3.98Å; I451-L639 HydrophobicContact CB-CD1 4.38Å; I451-L639 HydrophobicContact CD1-CB 4.47Å; I451-L639 HydrophobicContact CG1-CB 4.31Å; I451-L639 HydrophobicContact CG1-CD1 4.18Å; I451-L639 HydrophobicContact CG2-CD1 4Å; I451-E642 HydrophobicContact CG2-CB 3.73Å; I451-E642 HydrophobicContact CG2-CG 3.92Å; I451-V652 HydrophobicContact CG2-CG1 4.17Å
452Y97.6Very high93.7Very high0 Ų047.1 Ų47.10%026%0.257CS..Hα-helixtrans-57.2-43.5174.7176.1-108000112.5A425 F428 M431 L448 F449 V455 M456 W651 V652 L656A425-Y452 VanDerWaalsContact O-CE2 3.29Å; A425-Y452 WeakPolarHBondContact O-CE2 3.35Å; A425-Y452 PolarHBondContact O-OH 2.85Å; F428-Y452 HydrophobicContact CD2-CD1 4.18Å; F428-Y452 AromaticContact CD2-CE1 3.56Å; F428-Y452 HydrophobicContact CD2-CE1 3.56Å; F428-Y452 HydrophobicContact CE2-CD1 4.28Å; F428-Y452 HydrophobicContact CE2-CE1 4.08Å; M431-Y452 HydrophobicContact CB-CE1 3.81Å; M431-Y452 HydrophobicContact CG-CE1 4.39Å; L448-Y452 WeakPolarHBondContact O-CB 3.42Å; L448-Y452 PolarHBondContact O-N 3.08Å; F449-Y452 HydrophobicContact CD2-CD1 4.3Å; F449-Y452 AromaticContact CE2-CD1 3.96Å; F449-Y452 HydrophobicContact CE2-CD1 3.96Å; F449-Y452 HydrophobicContact CE2-CE1 4.29Å; F449-Y452 HydrophobicContact CZ-CD1 4.17Å; F449-Y452 HydrophobicContact CZ-CE1 4.46Å; F449-Y452 PolarHBondContact O-N 2.89Å; Y452-V455 PolarHBondContact O-N 3.36Å; Y452-M456 HydrophobicContact CD1-CG 4.43Å; Y452-M456 HydrophobicContact CD2-CG 4.13Å; Y452-M456 HydrophobicContact CE1-CG 4.09Å; Y452-M456 HydrophobicContact CE2-CG 3.77Å; Y452-M456 HydrophobicContact CE2-SD 4.21Å; Y452-M456 HydrophobicContact CG-CG 4.45Å; Y452-M456 WeakPolarHBondContact O-CB 3.47Å; Y452-M456 VanDerWaalsContact O-CG 3.31Å; Y452-M456 WeakPolarHBondContact O-CG 3.4Å; Y452-M456 PolarHBondContact O-N 2.82Å; Y452-W651 AromaticContact CD2-CH2 3.96Å; Y452-W651 HydrophobicContact CD2-CH2 3.96Å; Y452-W651 AromaticContact CD2-CZ3 3.75Å; Y452-W651 HydrophobicContact CD2-CZ3 3.75Å; Y452-W651 AromaticContact CE2-CH2 3.51Å; Y452-W651 HydrophobicContact CE2-CH2 3.51Å; Y452-W651 HydrophobicContact CE2-CZ2 4.38Å; Y452-W651 AromaticContact CE2-CZ3 3.81Å; Y452-W651 HydrophobicContact CE2-CZ3 3.81Å; Y452-V652 HydrophobicContact CD2-CG1 4.33Å; Y452-L656 VanDerWaalsContact CB-CD1 3.44Å; Y452-L656 HydrophobicContact CD1-CD1 4.11Å; Y452-L656 HydrophobicContact CD2-CD1 4.16Å; Y452-L656 HydrophobicContact CG-CD1 3.66Å
453T97.6Very high93.7Very high40 Ų4049.4 Ų49.425%0.24528%0.275CS..Hα-helixtrans-63-44.6176.3-56.70000110.9F428 F449 E450 I451 V455 M456 M457F428-T453 HydrophobicContact CE2-CG2 4.24Å; F428-T453 HydrophobicContact CZ-CG2 4.19Å; F449-T453 WeakPolarHBondContact CE1-OG1 3.37Å; F449-T453 WeakPolarHBondContact O-CB 3.49Å; F449-T453 PolarHBondContact O-N 2.82Å; F449-T453 PolarHBondContact O-OG1 3.18Å; E450-T453 PolarHBondContact O-N 2.89Å; I451-T453 VanDerWaalsContact C-N 3.31Å; I451-T453 PolarHBondContact O-N 2.96Å; T453-V455 VanDerWaalsContact C-N 3.32Å; T453-V455 PolarHBondContact O-N 3.47Å; T453-M456 PolarHBondContact O-N 2.71Å; T453-M457 HydrophobicContact CG2-CE 4.24Å; T453-M457 HydrophobicContact CG2-CG 4.43Å; T453-M457 WeakPolarHBondContact O-CG 3.33Å; T453-M457 PolarHBondContact O-N 3.39Å; T453-M457 VanDerWaalsContact O-N 3.12Å
454A96.8Very high93.7Very high40 Ų4046.3 Ų46.333%0.33125%0.25SS..Hα-helixtrans-60-39.1176.500000112.8E450 I451 L639 L643E450-A454 PolarHBondContact O-N 3.23Å; I451-A454 PolarHBondContact O-N 3.28Å; A454-L639 HydrophobicContact CB-CD1 3.95Å; A454-L643 HydrophobicContact CB-CD2 4.34Å
455V95.8Very high94Very high0 Ų047.8 Ų47.80%026%0.259CS..Hα-helixtrans-69.3-44175.8176.90000111.9I451 Y452 T453 M457 Q458 V461 E642 L643 W651 V652I451-V455 WeakPolarHBondContact O-CG2 3.36Å; I451-V455 PolarHBondContact O-N 3.14Å; Y452-V455 PolarHBondContact O-N 3.36Å; T453-V455 VanDerWaalsContact C-N 3.32Å; T453-V455 PolarHBondContact O-N 3.47Å; V455-M457 PolarHBondContact O-N 3.22Å; V455-Q458 WeakPolarHBondContact O-CB 3.44Å; V455-Q458 PolarHBondContact O-N 3.33Å; V455-Q458 VanDerWaalsContact O-N 3.08Å; V455-V461 HydrophobicContact CG1-CG2 4.32Å; V455-E642 HydrophobicContact CG2-CB 3.93Å; V455-E642 VanDerWaalsContact CG2-O 3.26Å; V455-E642 WeakPolarHBondContact CG2-O 3.18Å; V455-L643 HydrophobicContact CG2-CD2 4.19Å; V455-W651 HydrophobicContact CB-CZ3 4.4Å; V455-W651 HydrophobicContact CG1-CE3 4.08Å; V455-W651 HydrophobicContact CG1-CZ3 3.83Å; V455-V652 HydrophobicContact CG2-CG1 4.5Å
456M95.4Very high94.1Very high23 Ų2347.7 Ų47.711%0.11326%0.258CS..Hα-helixtrans-70-14.6-178.5-68.3-61.6-74.800113.8F428 Y452 T453 V461 W651F428-M456 HydrophobicContact CB-CE 3.85Å; F428-M456 HydrophobicContact CD2-CB 3.77Å; F428-M456 HydrophobicContact CD2-CG 3.94Å; F428-M456 HydrophobicContact CE2-CB 4.27Å; F428-M456 HydrophobicContact CG-CB 4.48Å; Y452-M456 HydrophobicContact CD1-CG 4.43Å; Y452-M456 HydrophobicContact CD2-CG 4.13Å; Y452-M456 HydrophobicContact CE1-CG 4.09Å; Y452-M456 HydrophobicContact CE2-CG 3.77Å; Y452-M456 HydrophobicContact CE2-SD 4.21Å; Y452-M456 HydrophobicContact CG-CG 4.45Å; Y452-M456 WeakPolarHBondContact O-CB 3.47Å; Y452-M456 VanDerWaalsContact O-CG 3.31Å; Y452-M456 WeakPolarHBondContact O-CG 3.4Å; Y452-M456 PolarHBondContact O-N 2.82Å; T453-M456 PolarHBondContact O-N 2.71Å; M456-V461 HydrophobicContact SD-CG2 3.89Å; M456-W651 HydrophobicContact SD-CH2 3.72Å; M456-W651 HydrophobicContact SD-CZ3 4.23Å
457M94.2Very high94.2Very high131 Ų13146.9 Ų46.965%0.64525%0.252SS*.THydrogen-bonded Turntrans-91.6-2.2172.3-61.5-67.7164.200113.4F428 T453 V455F428-M457 HydrophobicContact CE1-CE 4.23Å; F428-M457 HydrophobicContact CZ-CE 4.04Å; T453-M457 HydrophobicContact CG2-CE 4.24Å; T453-M457 HydrophobicContact CG2-CG 4.43Å; T453-M457 WeakPolarHBondContact O-CG 3.33Å; T453-M457 PolarHBondContact O-N 3.39Å; T453-M457 VanDerWaalsContact O-N 3.12Å; V455-M457 PolarHBondContact O-N 3.22Å
458Q91.7Very high94.3Very high49 Ų4943.5 Ų43.523%0.22924%0.237CC..SBendtrans-71.1136.1174.2-70.3-167-46.100111.6V455 G460 V461 L643V455-Q458 WeakPolarHBondContact O-CB 3.44Å; V455-Q458 PolarHBondContact O-N 3.33Å; V455-Q458 VanDerWaalsContact O-N 3.08Å; Q458-G460 PolarHBondContact O-N 3.23Å; Q458-V461 WeakPolarHBondContact O-CB 3.33Å; Q458-V461 PolarHBondContact O-N 2.76Å; Q458-L643 HydrophobicContact CG-CD2 3.97Å; Q458-L643 PolarHBondContact NE2-O 3.37Å; Q458-L643 VanDerWaalsContact NE2-O 3.08Å
459E88.7Confident94.4Very high198 Ų19843.6 Ų43.693%0.92524%0.237SC*.THydrogen-bonded Turntrans-56.7134.5166.7-65.6-173171.200110.6
460G87.4Confident94.3Very high48 Ų4842.7 Ų42.750%0.49523%0.233SC..THydrogen-bonded Turntrans81.74.5179.400000116.1Q458 E462 S463Q458-G460 PolarHBondContact O-N 3.23Å; G460-E462 PolarHBondContact O-N 2.8Å; G460-E462 VanDerWaalsContact O-N 3.09Å; G460-S463 PolarHBondContact O-N 3.23Å; G460-S463 PolarHBondContact O-OG 3.05Å
461V89.5Confident94.2Very high13 Ų1337.5 Ų37.58%0.07921%0.209CC..G310 helixtrans-53.2-31.7179.268.30000114V455 M456 Q458 S463 R464V455-V461 HydrophobicContact CG1-CG2 4.32Å; M456-V461 HydrophobicContact SD-CG2 3.89Å; Q458-V461 WeakPolarHBondContact O-CB 3.33Å; Q458-V461 PolarHBondContact O-N 2.76Å; V461-S463 PolarHBondContact O-N 2.93Å; V461-S463 VanDerWaalsContact O-N 3.17Å; V461-R464 WeakPolarHBondContact O-CB 3.32Å; V461-R464 PolarHBondContact O-N 2.84Å
462E87.4Confident94.1Very high69 Ų6937 Ų3732%0.32221%0.207SC..G310 helixtrans-54.7-32.5174.2-61.5-68.1130.800113.5G460 S789 K790 Q791G460-E462 PolarHBondContact O-N 2.8Å; G460-E462 VanDerWaalsContact O-N 3.09Å; E462-S789 WeakPolarHBondContact O-CB 3.3Å; E462-S789 PolarHBondContact O-OG 2.83Å; E462-K790 PolarHBondContact O-N 2.85Å; E462-K790 WeakPolarHBondContact OE1-CD 3.08Å; E462-K790 WeakPolarHBondContact OE1-CE 3.4Å; E462-K790 IonicContact OE1-NZ 3.91Å; E462-K790 PolarHBondContact OE1-NZ 2.82Å; E462-K790 WeakPolarHBondContact OE2-CD 3.27Å; E462-K790 WeakPolarHBondContact OE2-CE 3.38Å; E462-K790 IonicContact OE2-NZ 3.74Å; E462-K790 PolarHBondContact OE2-NZ 3.25Å; E462-Q791 HydrophobicContact CB-CG 4.31Å
463S90.1Very high93.8Very high76 Ų7637 Ų3753%0.53121%0.207SC..G310 helixtrans-95.9-3.5-178.670.20000113.7G460 V461 L465G460-S463 PolarHBondContact O-N 3.23Å; G460-S463 PolarHBondContact O-OG 3.05Å; V461-S463 PolarHBondContact O-N 2.93Å; V461-S463 VanDerWaalsContact O-N 3.17Å; S463-L465 PolarHBondContact O-N 3.32Å
464R91.9Very high93.6Very high36 Ų3635.1 Ų35.114%0.13620%0.195CC..  trans-68.5114.4-175-174.3173.2-171.467.6-4.5111V461 E642 S644 K648 S789V461-R464 WeakPolarHBondContact O-CB 3.32Å; V461-R464 PolarHBondContact O-N 2.84Å; R464-E642 PolarHBondContact NH2-O 3.26Å; R464-S644 VanDerWaalsContact CZ-O 3.28Å; R464-S644 PolarHBondContact NH1-O 3.14Å; R464-S644 PolarHBondContact NH2-O 2.82Å; R464-K648 VanDerWaalsContact CZ-NZ 3.25Å; R464-S789 WeakPolarHBondContact O-CA 3.48Å
465L96.4Very high93.1Very high45 Ų4534.7 Ų34.724%0.23619%0.186CC..  trans-69136.8173.8-66.6-179.9000111.7S463 A548 I647 V794S463-L465 PolarHBondContact O-N 3.32Å; L465-A548 HydrophobicContact CD1-CB 3.89Å; L465-I647 HydrophobicContact CB-CD1 3.93Å; L465-I647 HydrophobicContact CB-CG1 3.99Å; L465-I647 HydrophobicContact CD1-CD1 4.14Å; L465-V794 HydrophobicContact CD2-CG2 3.64Å
466A96.8Very high92.7Very high1 Ų136 Ų361%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-139.6147.7174.200000110.6F426 W651 F654 L787 G788F426-A466 HydrophobicContact CZ-CB 4.29Å; A466-W651 HydrophobicContact CB-CG 4.07Å; A466-F654 HydrophobicContact CB-CE2 3.9Å; A466-L787 WeakPolarHBondContact O-CA 3.3Å; A466-G788 PolarHBondContact N-O 2.75Å; A466-G788 PolarHBondContact O-N 2.76Å
467L97.9Very high92.2Very high0 Ų036.2 Ų36.20%019%0.194CC..EExtended strand (participates in β ladder)trans-110.3128.3174.5-179.567.9000109.1I469 G541 L542 A545 I647 K648 C649 Y785 L787L467-I469 HydrophobicContact CD2-CD1 3.97Å; L467-I469 HydrophobicContact CD2-CG1 4.07Å; L467-I469 HydrophobicContact CG-CG1 4.13Å; L467-G541 WeakPolarHBondContact CD2-O 3.19Å; L467-L542 HydrophobicContact CD2-CD2 3.93Å; L467-L542 HydrophobicContact CD2-CG 4.38Å; L467-A545 HydrophobicContact CB-CB 4.37Å; L467-A545 HydrophobicContact CD2-CB 3.99Å; L467-I647 HydrophobicContact CB-CG2 4.16Å; L467-K648 PolarHBondContact N-O 3.37Å; L467-C649 HydrophobicContact CB-CB 4.07Å; L467-C649 HydrophobicContact CD2-CB 3.92Å; L467-C649 HydrophobicContact CG-CB 4.22Å; L467-C649 WeakPolarHBondContact O-CA 3.04Å; L467-Y785 HydrophobicContact CD1-CD2 4.02Å; L467-Y785 HydrophobicContact CD1-CG 4.45Å; L467-L787 HydrophobicContact CB-CD1 4.16Å; L467-L787 HydrophobicContact CD1-CB 3.95Å; L467-L787 HydrophobicContact CD1-CD1 4.38Å
468N97.3Very high91.6Very high0 Ų032.4 Ų32.40%018%0.176CC..EExtended strand (participates in β ladder)trans-102.1128.5162.2-167.56.4000108.9Q470 N496 F654 Y785 L786N468-Q470 PolarHBondContact ND2-OE1 2.66Å; N468-N496 PolarHBondContact ND2-OD1 3.38Å; N468-N496 VanDerWaalsContact ND2-OD1 3.15Å; N468-F654 HydrophobicContact CB-CD1 3.91Å; N468-F654 HydrophobicContact CB-CD2 3.81Å; N468-F654 HydrophobicContact CB-CE1 3.63Å; N468-F654 HydrophobicContact CB-CE2 3.63Å; N468-F654 HydrophobicContact CB-CG 4.02Å; N468-F654 HydrophobicContact CB-CZ 3.55Å; N468-Y785 CarbonylContact O-C 2.87Å; N468-Y785 WeakPolarHBondContact O-CA 3.29Å; N468-Y785 VanDerWaalsContact O-CB 3.3Å; N468-Y785 WeakPolarHBondContact O-CB 3.46Å; N468-L786 PolarHBondContact N-O 3.47Å; N468-L786 PolarHBondContact O-N 2.89Å
469I97.4Very high90.6Very high5 Ų533.3 Ų33.33%0.02619%0.188CC..EExtended strand (participates in β ladder)trans-112.3101.4164.7-67.7179.9000106.5L467 V538 L542 Y619 C649L467-I469 HydrophobicContact CD2-CD1 3.97Å; L467-I469 HydrophobicContact CD2-CG1 4.07Å; L467-I469 HydrophobicContact CG-CG1 4.13Å; I469-V538 HydrophobicContact CD1-CG1 3.98Å; I469-V538 HydrophobicContact CG2-CB 4.44Å; I469-V538 HydrophobicContact CG2-CG1 4.3Å; I469-V538 HydrophobicContact CG2-CG2 3.67Å; I469-L542 HydrophobicContact CD1-CD1 4.33Å; I469-L542 HydrophobicContact CD1-CD2 4.15Å; I469-L542 HydrophobicContact CD1-CG 3.87Å; I469-Y619 HydrophobicContact CD1-CE2 4.25Å; I469-C649 VanDerWaalsContact CD1-SG 3.54Å; I469-C649 VanDerWaalsContact CG1-SG 3.53Å
470Q95.9Very high89.3Confident0 Ų026.8 Ų26.80%017%0.174CC..EExtended strand (participates in β ladder)trans-104.2139.1-167.4-177.5179.4-24.100110.9S418 N468 S472 V494 N495 N496 F783 G784S418-Q470 PolarHBondContact OG-OE1 2.8Å; N468-Q470 PolarHBondContact ND2-OE1 2.66Å; Q470-S472 PolarHBondContact NE2-OG 3.14Å; Q470-V494 HydrophobicContact CG-CG1 3.66Å; Q470-V494 VanDerWaalsContact NE2-CG1 3.3Å; Q470-N495 WeakPolarHBondContact CA-O 3.44Å; Q470-N496 WeakPolarHBondContact CG-OD1 3.21Å; Q470-F783 WeakPolarHBondContact O-CA 2.99Å; Q470-G784 PolarHBondContact N-O 2.89Å; Q470-G784 PolarHBondContact O-N 2.89Å
471R94.4Very high87.8Confident4 Ų427.5 Ų27.52%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-119.1112.6162.9-162.6-174.476-119.6-17.4110.7D473 N495 A499 S500 I782 F783R471-D473 IonicContact CZ-OD1 3.53Å; R471-D473 IonicContact CZ-OD2 2.87Å; R471-D473 IonicContact NE-OD1 3.33Å; R471-D473 PolarHBondContact NE-OD1 3.23Å; R471-D473 IonicContact NE-OD2 2.65Å; R471-D473 PolarHBondContact NE-OD2 3.09Å; R471-D473 IonicContact NH2-OD1 3.9Å; R471-D473 IonicContact NH2-OD2 3.31Å; R471-D473 PolarHBondContact NH2-OD2 2.73Å; R471-N495 HydrophobicContact CB-CB 4.36Å; R471-N495 PolarHBondContact N-O 3.35Å; R471-N495 PolarHBondContact NH2-ND2 3.42Å; R471-N495 PolarHBondContact NH2-OD1 3.11Å; R471-N495 PolarHBondContact O-N 2.83Å; R471-N495 PolarHBondContact O-ND2 2.78Å; R471-A499 HydrophobicContact CB-CB 4.06Å; R471-S500 PolarHBondContact NH1-O 3.2Å; R471-I782 CarbonylContact C-O 3.59Å; R471-I782 VanDerWaalsContact CA-O 3.27Å; R471-I782 WeakPolarHBondContact CA-O 3.35Å; R471-F783 HydrophobicContact CB-CD1 3.99Å; R471-F783 HydrophobicContact CB-CE1 4Å; R471-F783 VanDerWaalsContact CD-CZ 3.49Å; R471-F783 HydrophobicContact CG-CD1 4.03Å; R471-F783 HydrophobicContact CG-CD2 4.29Å; R471-F783 HydrophobicContact CG-CE1 3.97Å; R471-F783 HydrophobicContact CG-CE2 4.24Å; R471-F783 HydrophobicContact CG-CG 4.21Å; R471-F783 HydrophobicContact CG-CZ 4.08Å
472S95Very high85.7Confident0 Ų035.5 Ų35.50%021%0.214CC..EExtended strand (participates in β ladder)trans-89.8119.2174.8-50.80000109.2Q414 Q470 F474 G781 I782Q414-S472 PolarHBondContact OE1-OG 2.89Å; Q470-S472 PolarHBondContact NE2-OG 3.14Å; S472-F474 WeakPolarHBondContact O-CD2 3.38Å; S472-F474 WeakPolarHBondContact O-CE2 3.39Å; S472-G781 CarbonylContact O-C 3.53Å; S472-G781 WeakPolarHBondContact O-CA 3.3Å; S472-I782 PolarHBondContact N-O 2.85Å; S472-I782 PolarHBondContact O-N 2.83Å
473D92.2Very high84Confident0 Ų036.3 Ų36.30%022%0.22CC..EExtended strand (participates in β ladder)trans-101.9136.8-175.9-69.2-29.9000111.3R471 Q491 V492 E493 N495 L780 G781 R804R471-D473 IonicContact CZ-OD1 3.53Å; R471-D473 IonicContact CZ-OD2 2.87Å; R471-D473 IonicContact NE-OD1 3.33Å; R471-D473 PolarHBondContact NE-OD1 3.23Å; R471-D473 IonicContact NE-OD2 2.65Å; R471-D473 PolarHBondContact NE-OD2 3.09Å; R471-D473 IonicContact NH2-OD1 3.9Å; R471-D473 IonicContact NH2-OD2 3.31Å; R471-D473 PolarHBondContact NH2-OD2 2.73Å; D473-Q491 CarbonylContact O-C 3.54Å; D473-Q491 WeakPolarHBondContact O-CA 3.25Å; D473-V492 HydrophobicContact CB-CB 4.44Å; D473-V492 PolarHBondContact O-N 3.21Å; D473-E493 HydrophobicContact CB-CG 4.18Å; D473-E493 PolarHBondContact N-O 2.87Å; D473-N495 PolarHBondContact OD2-ND2 3.25Å; D473-L780 CarbonylContact C-O 3.48Å; D473-L780 WeakPolarHBondContact CA-O 3.34Å; D473-G781 WeakPolarHBondContact OD1-CA 3.33Å; D473-R804 IonicContact OD2-CZ 3.22Å; D473-R804 IonicContact OD2-NH2 2.77Å; D473-R804 PolarHBondContact OD2-NH2 2.8Å
474F93Very high81.8Confident0 Ų037.5 Ų37.50%023%0.228CC..EExtended strand (participates in β ladder)trans-135.3155.3-174-55.4-90.4000112.3A410 L413 L417 S472 L489 K490 Q491 V688 E779 L780 I782A410-F474 HydrophobicContact CB-CD2 4.14Å; A410-F474 HydrophobicContact CB-CE2 4.09Å; L413-F474 HydrophobicContact CD2-CE1 4.23Å; L413-F474 HydrophobicContact CD2-CZ 4.32Å; L417-F474 HydrophobicContact CD1-CZ 4.03Å; S472-F474 WeakPolarHBondContact O-CD2 3.38Å; S472-F474 WeakPolarHBondContact O-CE2 3.39Å; F474-L489 HydrophobicContact CB-CD1 3.58Å; F474-L489 HydrophobicContact CB-CD2 4.27Å; F474-L489 HydrophobicContact CB-CG 3.84Å; F474-L489 HydrophobicContact CD1-CD1 4.43Å; F474-L489 HydrophobicContact CD1-CD2 3.63Å; F474-L489 HydrophobicContact CD1-CG 3.76Å; F474-L489 HydrophobicContact CD2-CD2 4.43Å; F474-L489 HydrophobicContact CE1-CD2 3.99Å; F474-L489 HydrophobicContact CG-CD1 4.13Å; F474-L489 HydrophobicContact CG-CD2 3.88Å; F474-L489 HydrophobicContact CG-CG 3.96Å; F474-K490 CarbonylContact C-O 3.42Å; F474-K490 VanDerWaalsContact CA-O 3.28Å; F474-K490 WeakPolarHBondContact CA-O 3.23Å; F474-Q491 HydrophobicContact CD1-CB 3.88Å; F474-Q491 HydrophobicContact CD1-CG 4.26Å; F474-Q491 HydrophobicContact CE1-CB 3.94Å; F474-Q491 HydrophobicContact CE1-CG 4.11Å; F474-V688 HydrophobicContact CE1-CB 4.24Å; F474-V688 HydrophobicContact CE1-CG1 4.36Å; F474-V688 HydrophobicContact CE1-CG2 4.15Å; F474-E779 CarbonylContact O-C 3.5Å; F474-E779 WeakPolarHBondContact O-CA 3.28Å; F474-L780 PolarHBondContact N-O 2.63Å; F474-L780 PolarHBondContact O-N 2.8Å; F474-I782 HydrophobicContact CD2-CG1 4.38Å; F474-I782 HydrophobicContact CE2-CB 4.5Å; F474-I782 HydrophobicContact CE2-CG1 4.13Å
475M87.5Confident79.9Confident31 Ų3143.7 Ų43.715%0.15326%0.256CS..EExtended strand (participates in β ladder)trans-127.3151.8169-73.3176.578.200111H477 K490 V492 I755 I777 E779M475-H477 PolarHBondContact O-N 3.26Å; M475-K490 PolarHBondContact N-O 3.09Å; M475-K490 PolarHBondContact O-N 2.89Å; M475-V492 HydrophobicContact CB-CG2 4.13Å; M475-V492 HydrophobicContact CG-CG2 3.54Å; M475-V492 HydrophobicContact SD-CG2 3.77Å; M475-I755 HydrophobicContact CB-CD1 4.41Å; M475-I755 HydrophobicContact CB-CG2 3.92Å; M475-I777 HydrophobicContact CE-CD1 3.54Å; M475-I777 HydrophobicContact CE-CG1 3.73Å; M475-E779 HydrophobicContact CG-CB 4.18Å; M475-E779 HydrophobicContact CG-CG 3.93Å
476L86.2Confident78.5Confident27 Ų2742.2 Ų42.214%0.14125%0.25CS..EExtended strand (participates in β ladder)trans-77.3110.7171.6-61.3179.9000109.2L406 L489 G757 C758L406-L476 HydrophobicContact CB-CD2 4.16Å; L406-L476 HydrophobicContact CD1-CD2 3.57Å; L476-L489 HydrophobicContact CD2-CD1 4.33Å; L476-G757 VanDerWaalsContact O-CA 3.31Å; L476-G757 WeakPolarHBondContact O-CA 3.38Å; L476-C758 HydrophobicContact CB-CB 4.08Å; L476-C758 PolarHBondContact O-N 3.37Å; L476-C758 PolarHBondContact O-SG 2.87Å; L476-C758 VanDerWaalsContact O-SG 3.34Å
477H86Confident77.8Confident27 Ų2744.2 Ų44.213%0.12526%0.261CS..EExtended strand (participates in β ladder)trans-92.5121.3-179.8-177.936.7000111.6M475 S488 K490 I755 N756M475-H477 PolarHBondContact O-N 3.26Å; H477-S488 PolarHBondContact N-O 3.19Å; H477-S488 PolarHBondContact O-N 2.83Å; H477-K490 HydrophobicContact CB-CB 4.13Å; H477-K490 HydrophobicContact CB-CG 3.56Å; H477-I755 HydrophobicContact CB-CG2 3.9Å; H477-N756 WeakPolarHBondContact CA-O 3.34Å; H477-N756 PolarHBondContact ND1-N 2.63Å; H477-N756 PolarHBondContact ND1-O 3.07Å
478D81.8Confident77.4Confident51 Ų5146 Ų4627%0.27327%0.273SS..EExtended strand (participates in β ladder)trans-88.7119.2167-176.97.9000110.4G480 L487 N756D478-G480 VanDerWaalsContact C-N 3.26Å; D478-G480 WeakPolarHBondContact OD1-CA 3.46Å; D478-G480 PolarHBondContact OD1-N 3.05Å; D478-L487 HydrophobicContact CB-CD2 4Å; D478-N756 PolarHBondContact N-O 3.14Å; D478-N756 WeakPolarHBondContact O-CB 3.41Å
479S70.7Confident77.1Confident68 Ų6846.1 Ų46.148%0.47627%0.274SS..  trans-78.4-6.8174.555.80000113.7S481 A486S479-S481 PolarHBondContact OG-OG 3.15Å; S479-S481 VanDerWaalsContact OG-OG 3.13Å; S479-A486 PolarHBondContact OG-O 2.96Å
480G61.7Low76.9Confident61 Ų6147.5 Ų47.563%0.62928%0.279SS*.SBendtrans84.714.5179.200000114.9D478D478-G480 VanDerWaalsContact C-N 3.26Å; D478-G480 WeakPolarHBondContact OD1-CA 3.46Å; D478-G480 PolarHBondContact OD1-N 3.05Å
481S54.4Low76.8Confident63 Ų6348 Ų4844%0.44128%0.282SS..  trans-95.8141.2174410000111.2S479 D483 A486S479-S481 PolarHBondContact OG-OG 3.15Å; S479-S481 VanDerWaalsContact OG-OG 3.13Å; S481-D483 PolarHBondContact O-N 2.87Å; S481-A486 WeakPolarHBondContact O-CB 3.36Å; S481-A486 WeakPolarHBondContact OG-CB 3.35Å
482N45.7Very low76.4Confident182 Ų18248.7 Ų48.797%0.97329%0.287SS*.SBendtrans-69-1.3-173.4-75.4-16.8000115.4
483D52.8Low76.2Confident85 Ų8549 Ų4946%0.45529%0.288SS..SBendtrans-84.8132175.3-173.4-13.5000109.6S481 K485 A486S481-D483 PolarHBondContact O-N 2.87Å; D483-K485 PolarHBondContact O-N 3.27Å; D483-K485 WeakPolarHBondContact OD1-CB 3.43Å; D483-K485 WeakPolarHBondContact OD1-CG 3.41Å; D483-K485 PolarHBondContact OD1-N 2.61Å; D483-A486 WeakPolarHBondContact O-CB 3.39Å; D483-A486 PolarHBondContact O-N 3.37Å
484S43.5Very low76.2Confident102 Ų10249.1 Ų49.171%0.71329%0.289SS*.G310 helixtrans-54.4-21.4170.664.90000114.3A486S484-A486 PolarHBondContact O-N 3.3Å
485K50.7Low76.1Confident166 Ų16649.8 Ų49.872%0.72229%0.292SS*.G310 helixtrans-72-10.3172-62.7175.3-177169.40114D483 L487D483-K485 PolarHBondContact O-N 3.27Å; D483-K485 WeakPolarHBondContact OD1-CB 3.43Å; D483-K485 WeakPolarHBondContact OD1-CG 3.41Å; D483-K485 PolarHBondContact OD1-N 2.61Å; K485-L487 PolarHBondContact O-N 3.11Å
486A66.8Low76.4Confident13 Ų1348.3 Ų48.311%0.10729%0.285CS..G310 helixtrans-60.2-23.5175.200000113.8S479 S481 D483 S484 S488S479-A486 PolarHBondContact OG-O 2.96Å; S481-A486 WeakPolarHBondContact O-CB 3.36Å; S481-A486 WeakPolarHBondContact OG-CB 3.35Å; D483-A486 WeakPolarHBondContact O-CB 3.39Å; D483-A486 PolarHBondContact O-N 3.37Å; S484-A486 PolarHBondContact O-N 3.3Å; A486-S488 PolarHBondContact O-N 2.81Å
487L83.4Confident76.7Confident44 Ų4447.7 Ų47.723%0.2328%0.282CS..EExtended strand (participates in β ladder)trans-71.6119.8-178.3-59.3-170.3000111.5R405 L406 D478 K485 C758R405-L487 PolarHBondContact NH2-O 2.89Å; L406-L487 HydrophobicContact CD1-CB 4.1Å; D478-L487 HydrophobicContact CB-CD2 4Å; K485-L487 PolarHBondContact O-N 3.11Å; L487-C758 WeakPolarHBondContact CD2-SG 3.07Å
488S88.9Confident76.8Confident36 Ų3647.1 Ų47.125%0.25228%0.28SS..EExtended strand (participates in β ladder)trans-115.6151.9174.859.40000111.1H477 A486H477-S488 PolarHBondContact N-O 3.19Å; H477-S488 PolarHBondContact O-N 2.83Å; A486-S488 PolarHBondContact O-N 2.81Å
489L90.6Very high77.1Confident3 Ų344.8 Ų44.82%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-85.8129.6171.3-170.676.3000108.3L406 A410 F474 L476 V688L406-L489 HydrophobicContact CD2-CB 4.17Å; A410-L489 HydrophobicContact CB-CD2 3.53Å; F474-L489 HydrophobicContact CB-CD1 3.58Å; F474-L489 HydrophobicContact CB-CD2 4.27Å; F474-L489 HydrophobicContact CB-CG 3.84Å; F474-L489 HydrophobicContact CD1-CD1 4.43Å; F474-L489 HydrophobicContact CD1-CD2 3.63Å; F474-L489 HydrophobicContact CD1-CG 3.76Å; F474-L489 HydrophobicContact CD2-CD2 4.43Å; F474-L489 HydrophobicContact CE1-CD2 3.99Å; F474-L489 HydrophobicContact CG-CD1 4.13Å; F474-L489 HydrophobicContact CG-CD2 3.88Å; F474-L489 HydrophobicContact CG-CG 3.96Å; L476-L489 HydrophobicContact CD2-CD1 4.33Å; L489-V688 HydrophobicContact CB-CG1 4.38Å; L489-V688 HydrophobicContact CD2-CG1 4.17Å; L489-V688 WeakPolarHBondContact O-CA 3.11Å
490K94.2Very high77.7Confident34 Ų3442.7 Ų42.715%0.14825%0.254CS..EExtended strand (participates in β ladder)trans-127.6128.7177.1-69.3-61.7-174.4-173.40111.8F474 M475 H477 S687 V688 C689 M690 I755F474-K490 CarbonylContact C-O 3.42Å; F474-K490 VanDerWaalsContact CA-O 3.28Å; F474-K490 WeakPolarHBondContact CA-O 3.23Å; M475-K490 PolarHBondContact N-O 3.09Å; M475-K490 PolarHBondContact O-N 2.89Å; H477-K490 HydrophobicContact CB-CB 4.13Å; H477-K490 HydrophobicContact CB-CG 3.56Å; K490-S687 PolarHBondContact NZ-O 2.86Å; K490-V688 CarbonylContact C-O 3.5Å; K490-V688 VanDerWaalsContact CA-O 3.31Å; K490-V688 WeakPolarHBondContact CA-O 3.36Å; K490-V688 VanDerWaalsContact CD-O 3.32Å; K490-V688 WeakPolarHBondContact CD-O 3.42Å; K490-C689 WeakPolarHBondContact CD-O 3.42Å; K490-C689 PolarHBondContact NZ-O 2.75Å; K490-M690 HydrophobicContact CB-CG 3.95Å; K490-M690 HydrophobicContact CB-SD 4.1Å; K490-M690 HydrophobicContact CD-CG 4.03Å; K490-M690 HydrophobicContact CD-SD 3.65Å; K490-M690 HydrophobicContact CG-CG 4.09Å; K490-M690 HydrophobicContact CG-SD 3.61Å; K490-I755 HydrophobicContact CB-CD1 3.84Å; K490-I755 HydrophobicContact CB-CG1 4.01Å; K490-I755 HydrophobicContact CB-CG2 4.48Å
491Q93.3Very high78.9Confident10 Ų1043.4 Ų43.45%0.04724%0.24CC..EExtended strand (participates in β ladder)trans-71.6128.6-178.9-169-174.373.600110D473 F474 V494 V688 M752D473-Q491 CarbonylContact O-C 3.54Å; D473-Q491 WeakPolarHBondContact O-CA 3.25Å; F474-Q491 HydrophobicContact CD1-CB 3.88Å; F474-Q491 HydrophobicContact CD1-CG 4.26Å; F474-Q491 HydrophobicContact CE1-CB 3.94Å; F474-Q491 HydrophobicContact CE1-CG 4.11Å; Q491-V494 VanDerWaalsContact NE2-CG2 3.34Å; Q491-V688 HydrophobicContact CB-CG2 4.27Å; Q491-V688 PolarHBondContact N-O 3.44Å; Q491-M752 VanDerWaalsContact O-CE 3.27Å; Q491-M752 WeakPolarHBondContact O-CE 3.21Å
492V86.9Confident80.5Confident20 Ų2040.4 Ų40.412%0.12122%0.219CC..EExtended strand (participates in β ladder)trans-84.3-52.7174.9-178.70000109.5D473 M475 K719 I755 E779D473-V492 HydrophobicContact CB-CB 4.44Å; D473-V492 PolarHBondContact O-N 3.21Å; M475-V492 HydrophobicContact CB-CG2 4.13Å; M475-V492 HydrophobicContact CG-CG2 3.54Å; M475-V492 HydrophobicContact SD-CG2 3.77Å; V492-K719 PolarHBondContact O-NZ 2.76Å; V492-I755 HydrophobicContact CG2-CD1 3.99Å; V492-E779 HydrophobicContact CG2-CG 4.37Å
493E89.2Confident82.3Confident7 Ų731.8 Ų31.83%0.03317%0.173CC..EExtended strand (participates in β ladder)trans-163.6168.5-176.861.2-172.7167.500111.2D473 K660 R804D473-E493 HydrophobicContact CB-CG 4.18Å; D473-E493 PolarHBondContact N-O 2.87Å; E493-K660 IonicContact OE2-NZ 2.72Å; E493-K660 PolarHBondContact OE2-NZ 3.03Å; E493-R804 IonicContact OE1-NH2 3.33Å
494V92.3Very high83.6Confident1 Ų128.4 Ų28.41%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-120.4124.2169.6175.80000107.5Y421 Q470 Q491Y421-V494 HydrophobicContact CD1-CG1 4.45Å; Y421-V494 HydrophobicContact CD2-CG1 4.36Å; Y421-V494 HydrophobicContact CE1-CB 4.22Å; Y421-V494 HydrophobicContact CE1-CG1 4.09Å; Y421-V494 HydrophobicContact CE2-CB 4.21Å; Y421-V494 HydrophobicContact CE2-CG1 4.07Å; Y421-V494 HydrophobicContact CE2-CG2 3.87Å; Y421-V494 WeakPolarHBondContact OH-CG2 3.17Å; Q470-V494 HydrophobicContact CG-CG1 3.66Å; Q470-V494 VanDerWaalsContact NE2-CG1 3.3Å; Q491-V494 VanDerWaalsContact NE2-CG2 3.34Å
495N91.2Very high85.5Confident14 Ų1423.8 Ų23.88%0.07512%0.123CC..EExtended strand (participates in β ladder)trans-100.2106.6179.4-50.6-120.2000107.6Q470 R471 D473Q470-N495 WeakPolarHBondContact CA-O 3.44Å; R471-N495 HydrophobicContact CB-CB 4.36Å; R471-N495 PolarHBondContact N-O 3.35Å; R471-N495 PolarHBondContact NH2-ND2 3.42Å; R471-N495 PolarHBondContact NH2-OD1 3.11Å; R471-N495 PolarHBondContact O-N 2.83Å; R471-N495 PolarHBondContact O-ND2 2.78Å; D473-N495 PolarHBondContact OD2-ND2 3.25Å
496N94.4Very high87.2Confident1 Ų116 Ų161%0.0059%0.09CC..  trans-96-13.4174.4-70.7-22.7000113.4Y421 N468 Q470 P650 F654 G658Y421-N496 WeakPolarHBondContact CD1-ND2 3.44Å; N468-N496 PolarHBondContact ND2-OD1 3.38Å; N468-N496 VanDerWaalsContact ND2-OD1 3.15Å; Q470-N496 WeakPolarHBondContact CG-OD1 3.21Å; N496-P650 WeakPolarHBondContact O-CB 3.36Å; N496-P650 VanDerWaalsContact O-CG 3.25Å; N496-P650 WeakPolarHBondContact O-CG 3.48Å; N496-F654 HydrophobicContact CB-CB 4.33Å; N496-F654 VanDerWaalsContact CB-O 3.28Å; N496-F654 WeakPolarHBondContact CB-O 3.4Å; N496-F654 PolarHBondContact ND2-O 3.47Å; N496-G658 PolarHBondContact ND2-N 2.88Å
497I92.8Very high87.9Confident14 Ų1417.1 Ų17.17%0.0729%0.093CC..SBendtrans-120.4142.4179-169.8162.8000110.9A499 P650 H655 E723I497-A499 PolarHBondContact O-N 3.15Å; I497-P650 HydrophobicContact CB-CG 3.75Å; I497-P650 HydrophobicContact CD1-CG 4.16Å; I497-P650 HydrophobicContact CG1-CG 3.78Å; I497-H655 HydrophobicContact CD1-CB 4.42Å; I497-E723 HydrophobicContact CG2-CG 4.04Å
498S88.2Confident87.9Confident14 Ų1416.6 Ų16.610%0.0989%0.092CC..SBendtrans47.537.2175.9-159.70000115.2S500 R621S498-S500 PolarHBondContact O-N 2.8Å; S498-S500 PolarHBondContact O-OG 3.26Å; S498-R621 VanDerWaalsContact OG-C 3.26Å; S498-R621 VanDerWaalsContact OG-CA 3.29Å; S498-R621 WeakPolarHBondContact OG-CA 3.3Å; S498-R621 PolarHBondContact OG-O 2.71Å
499A87.6Confident87.6Confident2 Ų215.8 Ų15.82%0.0179%0.087CC..  trans-59.494.1-177.600000112R471 I497 F783R471-A499 HydrophobicContact CB-CB 4.06Å; I497-A499 PolarHBondContact O-N 3.15Å; A499-F783 HydrophobicContact CB-CE1 4.35Å
500S82.7Confident87.1Confident25 Ų2521.5 Ų21.518%0.17511%0.111CC..  trans-89163.4-166.8-67.30000114.6R471 S498 R621R471-S500 PolarHBondContact NH1-O 3.2Å; S498-S500 PolarHBondContact O-N 2.8Å; S498-S500 PolarHBondContact O-OG 3.26Å; S500-R621 PolarHBondContact OG-NH2 3.05Å
501F86.7Confident86.4Confident76 Ų7621 Ų2133%0.33311%0.11SC..  trans75.722.7178-50.4-63.6000115.9L504 G505 N566 D569 L802F501-L504 HydrophobicContact CD1-CB 4.33Å; F501-L504 HydrophobicContact CD1-CD1 4.11Å; F501-L504 HydrophobicContact CE1-CD1 4.4Å; F501-G505 VanDerWaalsContact O-CA 3.32Å; F501-G505 WeakPolarHBondContact O-CA 3.39Å; F501-G505 PolarHBondContact O-N 3.25Å; F501-N566 WeakPolarHBondContact CE1-OD1 3.02Å; F501-D569 VanDerWaalsContact C-OD1 3.27Å; F501-D569 WeakPolarHBondContact CA-OD1 3.48Å; F501-D569 PolarHBondContact N-OD1 3.38Å; F501-D569 PolarHBondContact N-OD2 3.02Å; F501-L802 HydrophobicContact CB-CD1 3.77Å; F501-L802 HydrophobicContact CB-CD2 3.87Å; F501-L802 HydrophobicContact CB-CG 4.47Å; F501-L802 HydrophobicContact CD2-CD2 3.95Å; F501-L802 HydrophobicContact CG-CD2 4.37Å
502A88.6Confident85.9Confident0 Ų021.5 Ų21.50%011%0.112CC..Hα-helixtrans-66.8-41.3173.500000112.2S534 L535 V538 D569 F783A502-S534 WeakPolarHBondContact O-CB 3.45Å; A502-S534 PolarHBondContact O-OG 3.14Å; A502-L535 PolarHBondContact O-N 3.37Å; A502-V538 HydrophobicContact CB-CB 4.12Å; A502-V538 HydrophobicContact CB-CG2 3.53Å; A502-D569 PolarHBondContact N-OD1 2.92Å; A502-F783 HydrophobicContact CB-CE1 3.92Å; A502-F783 HydrophobicContact CB-CZ 3.93Å
503G82.9Confident85.5Confident0 Ų021.6 Ų21.60%011%0.111CC..Hα-helixtrans-74.5-54.5175.300000111.7G505 A506 Q507 D569G503-G505 VanDerWaalsContact C-N 3.32Å; G503-G505 PolarHBondContact O-N 2.9Å; G503-A506 PolarHBondContact O-N 2.95Å; G503-Q507 WeakPolarHBondContact O-CG 3.37Å; G503-Q507 PolarHBondContact O-N 2.89Å; G503-D569 WeakPolarHBondContact CA-OD1 3.38Å; G503-D569 PolarHBondContact N-OD1 3.31Å
504L81.3Confident84.9Confident15 Ų1525.3 Ų25.38%0.07913%0.125CC..Hα-helixtrans-65.5-32.5-177.6-71.5178000113.1I378 A393 F501 Q507 C508 N566 D569 L572I378-L504 HydrophobicContact CG2-CD1 3.92Å; A393-L504 HydrophobicContact CB-CD1 4.32Å; F501-L504 HydrophobicContact CD1-CB 4.33Å; F501-L504 HydrophobicContact CD1-CD1 4.11Å; F501-L504 HydrophobicContact CE1-CD1 4.4Å; L504-Q507 PolarHBondContact O-N 3.5Å; L504-C508 WeakPolarHBondContact O-CB 3.41Å; L504-C508 PolarHBondContact O-N 2.96Å; L504-N566 WeakPolarHBondContact CD1-OD1 3.18Å; L504-D569 HydrophobicContact CD1-CB 4.21Å; L504-D569 HydrophobicContact CG-CB 4.13Å; L504-D569 PolarHBondContact N-OD1 2.71Å; L504-D569 VanDerWaalsContact N-OD1 3.12Å; L504-L572 HydrophobicContact CD2-CD1 4.34Å
505G83.9Confident84Confident4 Ų426.8 Ų26.84%0.04113%0.132CC..Hα-helixtrans-61.7-46.8174.200000112.5F501 G503 Q507 C508 S509 N532F501-G505 VanDerWaalsContact O-CA 3.32Å; F501-G505 WeakPolarHBondContact O-CA 3.39Å; F501-G505 PolarHBondContact O-N 3.25Å; G503-G505 VanDerWaalsContact C-N 3.32Å; G503-G505 PolarHBondContact O-N 2.9Å; G505-Q507 VanDerWaalsContact C-N 3.29Å; G505-Q507 PolarHBondContact O-N 2.69Å; G505-C508 PolarHBondContact O-N 3.36Å; G505-S509 PolarHBondContact O-N 3.3Å; G505-S509 PolarHBondContact O-OG 3.31Å; G505-S509 VanDerWaalsContact O-OG 3.07Å; G505-N532 VanDerWaalsContact C-ND2 3.35Å; G505-N532 PolarHBondContact O-ND2 2.72Å
506A85.1Confident83.3Confident4 Ų426.5 Ų26.53%0.03313%0.13CC..Hα-helixtrans-61.9-36.5176.400000112.4G503 S509 K510 L535G503-A506 PolarHBondContact O-N 2.95Å; A506-S509 PolarHBondContact O-N 3.01Å; A506-K510 WeakPolarHBondContact O-CG 3.28Å; A506-K510 PolarHBondContact O-N 3.29Å; A506-K510 VanDerWaalsContact O-N 3.09Å; A506-L535 HydrophobicContact CB-CB 4.09Å
507Q82.3Confident82.4Confident36 Ų3632.6 Ų32.617%0.16815%0.153CC..Hα-helixtrans-74-39.5178.6-59.6-73.211.800112.1G375 M376 G503 L504 G505 S509 K510 L511 L572G375-Q507 WeakPolarHBondContact O-CB 3.44Å; G375-Q507 WeakPolarHBondContact O-CG 3.37Å; M376-Q507 HydrophobicContact CG-CB 4.08Å; G503-Q507 WeakPolarHBondContact O-CG 3.37Å; G503-Q507 PolarHBondContact O-N 2.89Å; L504-Q507 PolarHBondContact O-N 3.5Å; G505-Q507 VanDerWaalsContact C-N 3.29Å; G505-Q507 PolarHBondContact O-N 2.69Å; Q507-S509 VanDerWaalsContact C-N 3.32Å; Q507-S509 PolarHBondContact O-N 2.77Å; Q507-K510 WeakPolarHBondContact O-CB 3.48Å; Q507-K510 PolarHBondContact O-N 3.42Å; Q507-L511 PolarHBondContact O-N 3.26Å; Q507-L572 HydrophobicContact CG-CD1 3.86Å
508C82Confident81.4Confident32 Ų3237.4 Ų37.422%0.21617%0.174CC..Hα-helixtrans-59.2-42.8170.5-170.90000111.4L504 G505 K510 L511 H512L504-C508 WeakPolarHBondContact O-CB 3.41Å; L504-C508 PolarHBondContact O-N 2.96Å; G505-C508 PolarHBondContact O-N 3.36Å; C508-K510 PolarHBondContact O-N 3.11Å; C508-L511 WeakPolarHBondContact O-CB 3.48Å; C508-L511 PolarHBondContact O-N 2.77Å; C508-L511 VanDerWaalsContact O-N 3.15Å; C508-H512 PolarHBondContact O-N 3.34Å
509S83.3Confident80.6Confident20 Ų2039.7 Ų39.714%0.1419%0.185CC..Hα-helixtrans-61.6-39.5174.3-58.90000112.8G505 A506 Q507 H512 K513 N532G505-S509 PolarHBondContact O-N 3.3Å; G505-S509 PolarHBondContact O-OG 3.31Å; G505-S509 VanDerWaalsContact O-OG 3.07Å; A506-S509 PolarHBondContact O-N 3.01Å; Q507-S509 VanDerWaalsContact C-N 3.32Å; Q507-S509 PolarHBondContact O-N 2.77Å; S509-H512 PolarHBondContact O-N 3.46Å; S509-K513 WeakPolarHBondContact O-CG 3.49Å; S509-K513 PolarHBondContact O-N 2.65Å; S509-N532 WeakPolarHBondContact OG-CB 3.45Å; S509-N532 PolarHBondContact OG-ND2 3.29Å
510K80.4Confident79.9Confident123 Ų12341.2 Ų41.254%0.53519%0.191SC..Hα-helixtrans-63-40.2173.3-71.1167.1-173.8172.80111.6A506 Q507 C508 R514A506-K510 WeakPolarHBondContact O-CG 3.28Å; A506-K510 PolarHBondContact O-N 3.29Å; A506-K510 VanDerWaalsContact O-N 3.09Å; Q507-K510 WeakPolarHBondContact O-CB 3.48Å; Q507-K510 PolarHBondContact O-N 3.42Å; C508-K510 PolarHBondContact O-N 3.11Å; K510-R514 PolarHBondContact O-N 2.89Å
511L79.1Confident79.4Confident22 Ų2245 Ų4512%0.11522%0.216CC..Hα-helixtrans-62.7-48.6173.4-179.368.9000111.6M376 F395 Q507 C508 K513 R514 I515M376-L511 HydrophobicContact CE-CD1 4.32Å; M376-L511 HydrophobicContact CE-CD2 3.85Å; M376-L511 HydrophobicContact CE-CG 4.49Å; M376-L511 HydrophobicContact SD-CB 3.8Å; M376-L511 HydrophobicContact SD-CD1 4.49Å; M376-L511 HydrophobicContact SD-CD2 3.8Å; M376-L511 HydrophobicContact SD-CG 4.22Å; F395-L511 HydrophobicContact CD2-CD2 3.67Å; F395-L511 HydrophobicContact CE2-CD2 3.34Å; F395-L511 HydrophobicContact CG-CD2 4.44Å; F395-L511 HydrophobicContact CZ-CD2 3.83Å; Q507-L511 PolarHBondContact O-N 3.26Å; C508-L511 WeakPolarHBondContact O-CB 3.48Å; C508-L511 PolarHBondContact O-N 2.77Å; C508-L511 VanDerWaalsContact O-N 3.15Å; L511-K513 PolarHBondContact O-N 3.32Å; L511-R514 WeakPolarHBondContact O-CB 3.39Å; L511-R514 PolarHBondContact O-N 2.84Å; L511-R514 VanDerWaalsContact O-N 3.08Å; L511-I515 HydrophobicContact CD1-CD1 4.15Å; L511-I515 HydrophobicContact CD1-CG1 4.41Å; L511-I515 HydrophobicContact CD2-CD1 4.31Å; L511-I515 HydrophobicContact CG-CD1 3.85Å; L511-I515 HydrophobicContact CG-CG1 4.44Å; L511-I515 WeakPolarHBondContact O-CG1 3.48Å; L511-I515 PolarHBondContact O-N 3.28Å
512H82.9Confident78.8Confident21 Ų2147.9 Ų47.910%0.09724%0.239CC..Hα-helixtrans-59.6-43.2177.5-71.4163.6000112T396 P399 C508 S509 R514 I515 F516 L529T396-H512 PolarHBondContact O-NE2 3.29Å; P399-H512 HydrophobicContact CB-CB 4.45Å; C508-H512 PolarHBondContact O-N 3.34Å; S509-H512 PolarHBondContact O-N 3.46Å; H512-R514 VanDerWaalsContact C-N 3.31Å; H512-R514 PolarHBondContact O-N 2.95Å; H512-I515 PolarHBondContact O-N 3.47Å; H512-F516 VanDerWaalsContact O-CB 3.28Å; H512-F516 WeakPolarHBondContact O-CB 3.43Å; H512-F516 PolarHBondContact O-N 3.21Å; H512-L529 HydrophobicContact CB-CD1 4.25Å
513K78.6Confident78.1Confident22 Ų2250.6 Ų50.610%0.09625%0.253CS..Hα-helixtrans-59.1-40.6173.1-71.3-174.5-176-160.80112.1S509 L511 R517 T525 E526 L529 P530S509-K513 WeakPolarHBondContact O-CG 3.49Å; S509-K513 PolarHBondContact O-N 2.65Å; L511-K513 PolarHBondContact O-N 3.32Å; K513-R517 WeakPolarHBondContact O-CB 3.37Å; K513-R517 VanDerWaalsContact O-CG 3.26Å; K513-R517 WeakPolarHBondContact O-CG 3.17Å; K513-R517 PolarHBondContact O-N 3.38Å; K513-T525 HydrophobicContact CB-CG2 4.02Å; K513-T525 HydrophobicContact CG-CG2 3.98Å; K513-E526 IonicContact NZ-OE2 2.95Å; K513-E526 PolarHBondContact NZ-OE2 3.4Å; K513-L529 WeakPolarHBondContact CE-O 3.48Å; K513-L529 HydrophobicContact CG-CB 3.94Å; K513-L529 HydrophobicContact CG-CD1 3.94Å; K513-L529 PolarHBondContact NZ-O 3.37Å; K513-L529 VanDerWaalsContact NZ-O 3.08Å; K513-P530 WeakPolarHBondContact CE-O 3.39Å; K513-P530 PolarHBondContact NZ-O 3.48Å
514R76.9Confident77.9Confident86 Ų8653.4 Ų53.433%0.32528%0.277SS..Hα-helixtrans-67.7-36.7176.4-169.4-177.4-173.9-150.39.2113W348 K510 L511 H512 K518W348-R514 VanDerWaalsContact CD1-NH1 3.28Å; K510-R514 PolarHBondContact O-N 2.89Å; L511-R514 WeakPolarHBondContact O-CB 3.39Å; L511-R514 PolarHBondContact O-N 2.84Å; L511-R514 VanDerWaalsContact O-N 3.08Å; H512-R514 VanDerWaalsContact C-N 3.31Å; H512-R514 PolarHBondContact O-N 2.95Å; R514-K518 WeakPolarHBondContact O-CG 3.46Å
515I73.5Confident77.7Confident31 Ų3153.2 Ų53.216%0.15928%0.276CS..Hα-helixtrans-70.3-46.7175.5-68171.8000109.8L397 L398 L511 H512 R517 K518 L519L397-I515 HydrophobicContact CD1-CD1 4.13Å; L397-I515 VanDerWaalsContact O-CD1 3.29Å; L397-I515 WeakPolarHBondContact O-CD1 3.29Å; L398-I515 HydrophobicContact CD2-CG2 4.09Å; L511-I515 HydrophobicContact CD1-CD1 4.15Å; L511-I515 HydrophobicContact CD1-CG1 4.41Å; L511-I515 HydrophobicContact CD2-CD1 4.31Å; L511-I515 HydrophobicContact CG-CD1 3.85Å; L511-I515 HydrophobicContact CG-CG1 4.44Å; L511-I515 WeakPolarHBondContact O-CG1 3.48Å; L511-I515 PolarHBondContact O-N 3.28Å; H512-I515 PolarHBondContact O-N 3.47Å; I515-R517 PolarHBondContact O-N 2.96Å; I515-K518 WeakPolarHBondContact O-CB 3.48Å; I515-K518 PolarHBondContact O-N 2.91Å; I515-L519 HydrophobicContact CG2-CD1 3.78Å; I515-L519 HydrophobicContact CG2-CG 4.34Å; I515-L519 PolarHBondContact O-N 2.87Å
516F75.5Confident77.4Confident8 Ų857.8 Ų57.84%0.03530%0.297CS..Hα-helixtrans-60.4-46.3-179.9-166.5-89.9000112.4F125 H512 K518 L519 H520 L523 T525 Y528 L529F125-F516 AromaticContact CE1-CE2 3.8Å; F125-F516 HydrophobicContact CE1-CE2 3.8Å; F125-F516 AromaticContact CZ-CE2 3.66Å; F125-F516 HydrophobicContact CZ-CE2 3.66Å; F125-F516 HydrophobicContact CZ-CZ 4.13Å; H512-F516 VanDerWaalsContact O-CB 3.28Å; H512-F516 WeakPolarHBondContact O-CB 3.43Å; H512-F516 PolarHBondContact O-N 3.21Å; F516-K518 PolarHBondContact O-N 2.98Å; F516-K518 VanDerWaalsContact O-N 3.17Å; F516-L519 PolarHBondContact O-N 3.24Å; F516-L519 VanDerWaalsContact O-N 3.17Å; F516-H520 AromaticContact CD2-CD2 3.93Å; F516-H520 HydrophobicContact CE1-CB 4.25Å; F516-H520 AromaticContact CE2-CD2 3.66Å; F516-H520 HydrophobicContact CZ-CB 4.41Å; F516-H520 AromaticContact CZ-CD2 3.95Å; F516-H520 PolarHBondContact O-N 2.94Å; F516-L523 HydrophobicContact CE1-CB 3.88Å; F516-L523 HydrophobicContact CE1-CD1 4.25Å; F516-L523 HydrophobicContact CZ-CB 4.31Å; F516-L523 HydrophobicContact CZ-CD1 3.84Å; F516-T525 HydrophobicContact CB-CG2 4.28Å; F516-T525 HydrophobicContact CD1-CG2 3.82Å; F516-T525 HydrophobicContact CG-CG2 4.39Å; F516-Y528 HydrophobicContact CE1-CD2 4.31Å; F516-Y528 HydrophobicContact CE1-CG 4.46Å; F516-Y528 HydrophobicContact CZ-CD2 4.15Å; F516-Y528 AromaticContact CZ-CG 3.96Å; F516-Y528 HydrophobicContact CZ-CG 3.96Å; F516-L529 HydrophobicContact CB-CD1 3.68Å; F516-L529 HydrophobicContact CD2-CD1 4.3Å; F516-L529 HydrophobicContact CG-CD1 3.96Å
517R76.9Confident77Confident129 Ų12962.2 Ų62.249%0.48732%0.317SS..Hα-helixtrans-58.5-27173.9-72.2171.8-166.11612.7113.7K513 I515 P521 T525 E526K513-R517 WeakPolarHBondContact O-CB 3.37Å; K513-R517 VanDerWaalsContact O-CG 3.26Å; K513-R517 WeakPolarHBondContact O-CG 3.17Å; K513-R517 PolarHBondContact O-N 3.38Å; I515-R517 PolarHBondContact O-N 2.96Å; R517-P521 WeakPolarHBondContact O-CA 3.42Å; R517-T525 HydrophobicContact CG-CG2 4.02Å; R517-T525 WeakPolarHBondContact CG-OG1 3.49Å; R517-E526 IonicContact CZ-OE1 2.89Å; R517-E526 IonicContact NH2-OE1 3.53Å; R517-E526 PolarHBondContact NH2-OE1 3.39Å
518K70.9Confident76.9Confident115 Ų11564.5 Ų64.550%0.532%0.324SS..Hα-helixtrans-82.9-35.5177-74.7178175.5-174.80113R514 I515 F516R514-K518 WeakPolarHBondContact O-CG 3.46Å; I515-K518 WeakPolarHBondContact O-CB 3.48Å; I515-K518 PolarHBondContact O-N 2.91Å; F516-K518 PolarHBondContact O-N 2.98Å; F516-K518 VanDerWaalsContact O-N 3.17Å
519L71.1Confident77Confident62 Ų6264 Ų6433%0.32532%0.32SS..Hα-helixtrans-81.5-33.5179.4-64.7175.7000112.2L398 I515 F516L398-L519 HydrophobicContact CD2-CD1 3.61Å; I515-L519 HydrophobicContact CG2-CD1 3.78Å; I515-L519 HydrophobicContact CG2-CG 4.34Å; I515-L519 PolarHBondContact O-N 2.87Å; F516-L519 PolarHBondContact O-N 3.24Å; F516-L519 VanDerWaalsContact O-N 3.17Å
520H73.7Confident76.9Confident34 Ų3465.3 Ų65.316%0.15733%0.327CS..  trans-13467.4-176.4-52.5-62.6000111.2F516 T522 L523F516-H520 AromaticContact CD2-CD2 3.93Å; F516-H520 HydrophobicContact CE1-CB 4.25Å; F516-H520 AromaticContact CE2-CD2 3.66Å; F516-H520 HydrophobicContact CZ-CB 4.41Å; F516-H520 AromaticContact CZ-CD2 3.95Å; F516-H520 PolarHBondContact O-N 2.94Å; H520-T522 PolarHBondContact O-N 3.11Å; H520-T522 VanDerWaalsContact O-N 3.09Å; H520-L523 HydrophobicContact CB-CB 4.02Å; H520-L523 HydrophobicContact CB-CD1 3.76Å; H520-L523 HydrophobicContact CB-CG 3.93Å; H520-L523 PolarHBondContact O-N 2.84Å
521P72Confident77.1Confident106 Ų10665.3 Ų65.369%0.68833%0.329SS*.THydrogen-bonded Turntrans-63.1-17.2-176.526.4-35.8000114.2R517R517-P521 WeakPolarHBondContact O-CA 3.42Å
522T73.3Confident77.7Confident135 Ų13564.9 Ų64.983%0.82833%0.327SS*.THydrogen-bonded Turntrans-89.2-12.9176.552.20000114.1H520H520-T522 PolarHBondContact O-N 3.11Å; H520-T522 VanDerWaalsContact O-N 3.09Å
523L74.9Confident78.1Confident57 Ų5768.3 Ų68.330%0.29834%0.342SS..SBendtrans-91.1133.6179.7-67.2-176.2000111.1F516 H520 T525 Y528F516-L523 HydrophobicContact CE1-CB 3.88Å; F516-L523 HydrophobicContact CE1-CD1 4.25Å; F516-L523 HydrophobicContact CZ-CB 4.31Å; F516-L523 HydrophobicContact CZ-CD1 3.84Å; H520-L523 HydrophobicContact CB-CB 4.02Å; H520-L523 HydrophobicContact CB-CD1 3.76Å; H520-L523 HydrophobicContact CB-CG 3.93Å; H520-L523 PolarHBondContact O-N 2.84Å; L523-T525 PolarHBondContact O-N 2.81Å; L523-Y528 HydrophobicContact CB-CE2 4.37Å; L523-Y528 HydrophobicContact CD1-CE2 4.48Å; L523-Y528 HydrophobicContact CD2-CE2 4.42Å
524A79.1Confident78.7Confident60 Ų6067.2 Ų67.250%0.49634%0.337SS..  trans-62.495.1172.300000109.8E526 E527 Y528A524-E526 PolarHBondContact O-N 2.93Å; A524-E526 VanDerWaalsContact O-N 3.12Å; A524-E527 HydrophobicContact CB-CB 4.16Å; A524-E527 WeakPolarHBondContact O-CB 3.47Å; A524-E527 PolarHBondContact O-N 3.3Å; A524-Y528 WeakPolarHBondContact O-CD2 3.38Å
525T75.5Confident79.4Confident10 Ų1063.9 Ų63.96%0.06133%0.325CS..Hα-helixtrans-57.2-35.3-170.8-60.70000113.1K513 F516 R517 L523 E527 Y528 L529K513-T525 HydrophobicContact CB-CG2 4.02Å; K513-T525 HydrophobicContact CG-CG2 3.98Å; F516-T525 HydrophobicContact CB-CG2 4.28Å; F516-T525 HydrophobicContact CD1-CG2 3.82Å; F516-T525 HydrophobicContact CG-CG2 4.39Å; R517-T525 HydrophobicContact CG-CG2 4.02Å; R517-T525 WeakPolarHBondContact CG-OG1 3.49Å; L523-T525 PolarHBondContact O-N 2.81Å; T525-E527 PolarHBondContact O-N 2.99Å; T525-Y528 PolarHBondContact O-N 3.03Å; T525-L529 HydrophobicContact CG2-CB 4.48Å; T525-L529 HydrophobicContact CG2-CD1 4.15Å; T525-L529 PolarHBondContact O-N 3.28Å
526E78Confident80.3Confident100 Ų10065.9 Ų65.947%0.46734%0.337SS..Hα-helixtrans-69.5-19.8179-49.4-48.9130.800113.2K513 R517 A524K513-E526 IonicContact NZ-OE2 2.95Å; K513-E526 PolarHBondContact NZ-OE2 3.4Å; R517-E526 IonicContact CZ-OE1 2.89Å; R517-E526 IonicContact NH2-OE1 3.53Å; R517-E526 PolarHBondContact NH2-OE1 3.39Å; A524-E526 PolarHBondContact O-N 2.93Å; A524-E526 VanDerWaalsContact O-N 3.12Å
527E76.9Confident81.2Confident98 Ų9865.8 Ų65.846%0.45834%0.337SS..Hα-helixtrans-68.5-43.9172.1-168.7-169.9167.200110.5R404 A524 T525R404-E527 VanDerWaalsContact CZ-O 3.29Å; R404-E527 PolarHBondContact NH1-O 2.88Å; R404-E527 PolarHBondContact NH2-O 3.45Å; A524-E527 HydrophobicContact CB-CB 4.16Å; A524-E527 WeakPolarHBondContact O-CB 3.47Å; A524-E527 PolarHBondContact O-N 3.3Å; T525-E527 PolarHBondContact O-N 2.99Å
528Y80.5Confident82.1Confident83 Ų8359.7 Ų59.733%0.32531%0.314SS..Hα-helixtrans-91.4-29.6-173.3-64.2-91.4000113.5F125 F516 L523 A524 T525F125-Y528 HydrophobicContact CZ-CD1 4.42Å; F516-Y528 HydrophobicContact CE1-CD2 4.31Å; F516-Y528 HydrophobicContact CE1-CG 4.46Å; F516-Y528 HydrophobicContact CZ-CD2 4.15Å; F516-Y528 AromaticContact CZ-CG 3.96Å; F516-Y528 HydrophobicContact CZ-CG 3.96Å; L523-Y528 HydrophobicContact CB-CE2 4.37Å; L523-Y528 HydrophobicContact CD1-CE2 4.48Å; L523-Y528 HydrophobicContact CD2-CE2 4.42Å; A524-Y528 WeakPolarHBondContact O-CD2 3.38Å; T525-Y528 PolarHBondContact O-N 3.03Å
529L83.9Confident83.3Confident23 Ų2354.2 Ų54.212%0.1229%0.29CS..SBendtrans-119.999.6-178.5-64.1179.1000110P399 H512 K513 F516 T525P399-L529 HydrophobicContact CB-CD2 3.65Å; P399-L529 HydrophobicContact CG-CD1 4.44Å; P399-L529 HydrophobicContact CG-CD2 3.76Å; H512-L529 HydrophobicContact CB-CD1 4.25Å; K513-L529 WeakPolarHBondContact CE-O 3.48Å; K513-L529 HydrophobicContact CG-CB 3.94Å; K513-L529 HydrophobicContact CG-CD1 3.94Å; K513-L529 PolarHBondContact NZ-O 3.37Å; K513-L529 VanDerWaalsContact NZ-O 3.08Å; F516-L529 HydrophobicContact CB-CD1 3.68Å; F516-L529 HydrophobicContact CD2-CD1 4.3Å; F516-L529 HydrophobicContact CG-CD1 3.96Å; T525-L529 HydrophobicContact CG2-CB 4.48Å; T525-L529 HydrophobicContact CG2-CD1 4.15Å; T525-L529 PolarHBondContact O-N 3.28Å
530P82Confident84.5Confident46 Ų4653.2 Ų53.230%0.29929%0.287SS..  trans-60.8157.6-178.924.4-32.5000111.8F407 K513F407-P530 HydrophobicContact CE1-CB 4.15Å; F407-P530 HydrophobicContact CE1-CG 3.81Å; F407-P530 HydrophobicContact CE2-CG 4.36Å; F407-P530 HydrophobicContact CZ-CB 4.29Å; F407-P530 HydrophobicContact CZ-CG 3.67Å; K513-P530 WeakPolarHBondContact CE-O 3.39Å; K513-P530 PolarHBondContact NZ-O 3.48Å
531E85Confident85.6Confident124 Ų12451.6 Ų51.658%0.57928%0.279SS*.  trans-63.3136.8170.9-168.5171.6-149.900110.9K533E531-K533 HydrophobicContact CG-CG 4.03Å; E531-K533 WeakPolarHBondContact OE2-CE 3.34Å; E531-K533 IonicContact OE2-NZ 2.67Å; E531-K533 PolarHBondContact OE2-NZ 2.73Å
532N89.8Confident86.8Confident13 Ų1346.6 Ų46.67%0.0725%0.246CC..  trans-109.990.1179.6-166.7-0.6000110.8G505 S509 S534 G800 H801G505-N532 VanDerWaalsContact C-ND2 3.35Å; G505-N532 PolarHBondContact O-ND2 2.72Å; S509-N532 WeakPolarHBondContact OG-CB 3.45Å; S509-N532 PolarHBondContact OG-ND2 3.29Å; N532-S534 PolarHBondContact O-N 2.82Å; N532-S534 WeakPolarHBondContact OD1-CB 3.46Å; N532-S534 PolarHBondContact OD1-N 2.81Å; N532-S534 PolarHBondContact OD1-OG 2.67Å; N532-S534 VanDerWaalsContact OD1-OG 3.09Å; N532-G800 WeakPolarHBondContact OD1-CA 3.28Å; N532-H801 PolarHBondContact ND2-O 3.15Å; N532-H801 PolarHBondContact OD1-N 3.32Å; N532-H801 PolarHBondContact OD1-O 3.31Å
533K91.6Very high88Confident92 Ų9240.8 Ų40.840%0.421%0.211SC..  trans-83.821.7-179.7-57-170.8178.6-174.80113.6E531 L535 D536 T537E531-K533 HydrophobicContact CG-CG 4.03Å; E531-K533 WeakPolarHBondContact OE2-CE 3.34Å; E531-K533 IonicContact OE2-NZ 2.67Å; E531-K533 PolarHBondContact OE2-NZ 2.73Å; K533-L535 VanDerWaalsContact C-N 3.34Å; K533-L535 PolarHBondContact O-N 2.97Å; K533-D536 WeakPolarHBondContact CA-OD2 3.29Å; K533-D536 PolarHBondContact O-N 3.07Å; K533-T537 WeakPolarHBondContact O-CB 3.46Å; K533-T537 PolarHBondContact O-N 2.81Å; K533-T537 PolarHBondContact O-OG1 3.27Å
534S92Very high89Confident0 Ų041.5 Ų41.50%021%0.211CC..Hα-helixtrans-63.5-41.8-172.750.90000111.6A502 N532 V538A502-S534 WeakPolarHBondContact O-CB 3.45Å; A502-S534 PolarHBondContact O-OG 3.14Å; N532-S534 PolarHBondContact O-N 2.82Å; N532-S534 WeakPolarHBondContact OD1-CB 3.46Å; N532-S534 PolarHBondContact OD1-N 2.81Å; N532-S534 PolarHBondContact OD1-OG 2.67Å; N532-S534 VanDerWaalsContact OD1-OG 3.09Å; S534-V538 VanDerWaalsContact O-CG2 3.32Å; S534-V538 WeakPolarHBondContact O-CG2 3.31Å; S534-V538 PolarHBondContact O-N 2.79Å; S534-V538 VanDerWaalsContact O-N 3.14Å
535L90.7Very high89.9Confident15 Ų1538.7 Ų38.78%0.07919%0.188CC..Hα-helixtrans-60.8-54.9173.9176.756000111.1A502 A506 K533 T537 V538 S539 L572 I573A502-L535 PolarHBondContact O-N 3.37Å; A506-L535 HydrophobicContact CB-CB 4.09Å; K533-L535 VanDerWaalsContact C-N 3.34Å; K533-L535 PolarHBondContact O-N 2.97Å; L535-T537 VanDerWaalsContact C-N 3.27Å; L535-T537 PolarHBondContact O-N 2.99Å; L535-V538 PolarHBondContact O-N 3.47Å; L535-S539 PolarHBondContact O-N 3.06Å; L535-S539 PolarHBondContact O-OG 2.82Å; L535-L572 HydrophobicContact CD1-CB 4.26Å; L535-L572 WeakPolarHBondContact CD1-O 3.34Å; L535-L572 HydrophobicContact CD2-CB 4.48Å; L535-I573 HydrophobicContact CD1-CB 4.33Å; L535-I573 HydrophobicContact CD1-CG1 3.83Å
536D93Very high91Very high74 Ų7439.4 Ų39.440%0.39619%0.189SC..Hα-helixtrans-60.9-38.5-176.3-42.9-53.2000111.4K533 T540K533-D536 WeakPolarHBondContact CA-OD2 3.29Å; K533-D536 PolarHBondContact O-N 3.07Å; D536-T540 WeakPolarHBondContact O-CB 3.3Å; D536-T540 PolarHBondContact O-N 3.36Å; D536-T540 PolarHBondContact O-OG1 3.03Å
537T94.4Very high91.8Very high6 Ų639.2 Ų39.24%0.03719%0.189CC..Hα-helixtrans-66.1-48.4179-580000111.4K533 L535 T540 G541 Y785 G799K533-T537 WeakPolarHBondContact O-CB 3.46Å; K533-T537 PolarHBondContact O-N 2.81Å; K533-T537 PolarHBondContact O-OG1 3.27Å; L535-T537 VanDerWaalsContact C-N 3.27Å; L535-T537 PolarHBondContact O-N 2.99Å; T537-T540 PolarHBondContact O-N 2.87Å; T537-G541 PolarHBondContact O-N 3.14Å; T537-G541 VanDerWaalsContact O-N 3.1Å; T537-Y785 HydrophobicContact CG2-CD1 3.68Å; T537-Y785 HydrophobicContact CG2-CE1 4.11Å; T537-Y785 WeakPolarHBondContact O-CD1 3.31Å; T537-Y785 WeakPolarHBondContact O-CE1 3.38Å; T537-G799 WeakPolarHBondContact CB-O 3.14Å; T537-G799 VanDerWaalsContact OG1-CA 3.28Å; T537-G799 WeakPolarHBondContact OG1-CA 3.38Å; T537-G799 PolarHBondContact OG1-O 3.2Å; T537-G799 VanDerWaalsContact OG1-O 3.08Å
538V95.5Very high92.7Very high1 Ų136.5 Ų36.51%0.00618%0.183CC..Hα-helixtrans-63.8-47.2178169.90000111.2I469 A502 S534 L535 G541 L542 I573 F783I469-V538 HydrophobicContact CD1-CG1 3.98Å; I469-V538 HydrophobicContact CG2-CB 4.44Å; I469-V538 HydrophobicContact CG2-CG1 4.3Å; I469-V538 HydrophobicContact CG2-CG2 3.67Å; A502-V538 HydrophobicContact CB-CB 4.12Å; A502-V538 HydrophobicContact CB-CG2 3.53Å; S534-V538 VanDerWaalsContact O-CG2 3.32Å; S534-V538 WeakPolarHBondContact O-CG2 3.31Å; S534-V538 PolarHBondContact O-N 2.79Å; S534-V538 VanDerWaalsContact O-N 3.14Å; L535-V538 PolarHBondContact O-N 3.47Å; V538-G541 PolarHBondContact O-N 3.07Å; V538-L542 HydrophobicContact CG1-CD1 4.37Å; V538-L542 PolarHBondContact O-N 2.75Å; V538-I573 HydrophobicContact CG1-CD1 3.9Å; V538-I573 HydrophobicContact CG1-CG1 4.19Å; V538-I573 HydrophobicContact CG1-CG2 3.94Å; V538-F783 HydrophobicContact CG2-CD1 4.26Å
539S95.8Very high93.5Very high0 Ų034.3 Ų34.30%017%0.174CC..Hα-helixtrans-69.3-34.1-179.8-650000112.4L535 L542 V543 I573 S576 M580L535-S539 PolarHBondContact O-N 3.06Å; L535-S539 PolarHBondContact O-OG 2.82Å; S539-L542 PolarHBondContact O-N 3.04Å; S539-V543 WeakPolarHBondContact O-CG2 3.38Å; S539-V543 PolarHBondContact O-N 2.95Å; S539-I573 WeakPolarHBondContact OG-CA 3.48Å; S539-I573 VanDerWaalsContact OG-CG2 3.3Å; S539-I573 WeakPolarHBondContact OG-CG2 3.28Å; S539-I573 PolarHBondContact OG-O 2.79Å; S539-S576 WeakPolarHBondContact CB-OG 3.38Å; S539-S576 WeakPolarHBondContact OG-CB 3.17Å; S539-M580 VanDerWaalsContact C-CE 3.47Å
540T96.9Very high93.9Very high41 Ų4135.6 Ų35.625%0.25219%0.193SC..Hα-helixtrans-65.8-44.3176.1-59.80000110.8D536 T537 L542 V543 K544 Y785D536-T540 WeakPolarHBondContact O-CB 3.3Å; D536-T540 PolarHBondContact O-N 3.36Å; D536-T540 PolarHBondContact O-OG1 3.03Å; T537-T540 PolarHBondContact O-N 2.87Å; T540-L542 VanDerWaalsContact C-N 3.28Å; T540-L542 PolarHBondContact O-N 2.78Å; T540-V543 PolarHBondContact O-N 3.03Å; T540-K544 HydrophobicContact CG2-CG 4.05Å; T540-K544 WeakPolarHBondContact O-CB 3.45Å; T540-K544 VanDerWaalsContact O-CG 3.26Å; T540-K544 WeakPolarHBondContact O-CG 3.42Å; T540-K544 PolarHBondContact O-N 2.81Å; T540-Y785 HydrophobicContact CG2-CE1 4.38Å; T540-Y785 WeakPolarHBondContact CG2-OH 3.36Å
541G96.8Very high94.5Very high0 Ų038.6 Ų38.60%020%0.203CC..Hα-helixtrans-58.3-39.8176.600000112.8L467 T537 V538 K544 A545L467-G541 WeakPolarHBondContact CD2-O 3.19Å; T537-G541 PolarHBondContact O-N 3.14Å; T537-G541 VanDerWaalsContact O-N 3.1Å; V538-G541 PolarHBondContact O-N 3.07Å; G541-K544 PolarHBondContact O-N 3.44Å; G541-A545 WeakPolarHBondContact O-CB 3.48Å; G541-A545 PolarHBondContact O-N 3.22Å
542L97.7Very high94.7Very high0 Ų040.2 Ų40.20%021%0.208CC..Hα-helixtrans-67.5-42.4176-69166.8000112.5L467 I469 V538 S539 T540 A545 W546 F558 I573 I577 V617 Y619 C649L467-L542 HydrophobicContact CD2-CD2 3.93Å; L467-L542 HydrophobicContact CD2-CG 4.38Å; I469-L542 HydrophobicContact CD1-CD1 4.33Å; I469-L542 HydrophobicContact CD1-CD2 4.15Å; I469-L542 HydrophobicContact CD1-CG 3.87Å; V538-L542 HydrophobicContact CG1-CD1 4.37Å; V538-L542 PolarHBondContact O-N 2.75Å; S539-L542 PolarHBondContact O-N 3.04Å; T540-L542 VanDerWaalsContact C-N 3.28Å; T540-L542 PolarHBondContact O-N 2.78Å; L542-A545 PolarHBondContact O-N 2.85Å; L542-W546 PolarHBondContact O-N 2.88Å; L542-F558 HydrophobicContact CD1-CZ 4.44Å; L542-I573 HydrophobicContact CD1-CG2 3.83Å; L542-I577 HydrophobicContact CB-CD1 3.91Å; L542-I577 HydrophobicContact CB-CG1 4.43Å; L542-I577 HydrophobicContact CD1-CD1 3.73Å; L542-I577 HydrophobicContact CG-CD1 4.46Å; L542-V617 HydrophobicContact CD2-CG1 3.99Å; L542-Y619 HydrophobicContact CD1-CD1 3.67Å; L542-Y619 HydrophobicContact CD1-CE1 3.72Å; L542-Y619 HydrophobicContact CD1-CG 4.14Å; L542-Y619 HydrophobicContact CD2-CD1 4.15Å; L542-Y619 HydrophobicContact CD2-CD2 4.03Å; L542-Y619 HydrophobicContact CD2-CG 3.75Å; L542-C649 HydrophobicContact CD2-CB 4.34Å
543V97.1Very high94.7Very high13 Ų1346.3 Ų46.38%0.07924%0.241CC..Hα-helixtrans-63.5-42.7173.8172.40000111.1S539 T540 A545 W546 E547 I577 M580 T581S539-V543 WeakPolarHBondContact O-CG2 3.38Å; S539-V543 PolarHBondContact O-N 2.95Å; T540-V543 PolarHBondContact O-N 3.03Å; V543-A545 PolarHBondContact O-N 3.02Å; V543-W546 WeakPolarHBondContact O-CB 3.45Å; V543-W546 PolarHBondContact O-N 2.7Å; V543-E547 HydrophobicContact CG1-CG 4.27Å; V543-E547 WeakPolarHBondContact O-CG 3.43Å; V543-E547 PolarHBondContact O-N 3.19Å; V543-I577 HydrophobicContact CG2-CB 4.35Å; V543-I577 HydrophobicContact CG2-CG1 4.26Å; V543-I577 HydrophobicContact CG2-CG2 3.97Å; V543-M580 HydrophobicContact CG2-CE 4.12Å; V543-T581 HydrophobicContact CB-CG2 4.44Å; V543-T581 HydrophobicContact CG1-CG2 3.89Å; V543-T581 HydrophobicContact CG2-CG2 3.69Å
544K97.3Very high94.9Very high73 Ų7342 Ų4232%0.31722%0.223SC..Hα-helixtrans-63.6-38.9178.3-72.6-76.7161.6-1430112.5T540 G541 E547 A548 L787 D795T540-K544 HydrophobicContact CG2-CG 4.05Å; T540-K544 WeakPolarHBondContact O-CB 3.45Å; T540-K544 VanDerWaalsContact O-CG 3.26Å; T540-K544 WeakPolarHBondContact O-CG 3.42Å; T540-K544 PolarHBondContact O-N 2.81Å; G541-K544 PolarHBondContact O-N 3.44Å; K544-E547 WeakPolarHBondContact CD-OE2 3.37Å; K544-E547 WeakPolarHBondContact CE-OE2 3.29Å; K544-E547 IonicContact NZ-OE1 3.18Å; K544-E547 IonicContact NZ-OE2 3.24Å; K544-E547 PolarHBondContact NZ-OE2 3.4Å; K544-A548 VanDerWaalsContact O-CB 3.31Å; K544-A548 WeakPolarHBondContact O-CB 3.5Å; K544-A548 PolarHBondContact O-N 3.37Å; K544-L787 HydrophobicContact CB-CD2 4.04Å; K544-L787 WeakPolarHBondContact O-CD2 3.32Å; K544-D795 WeakPolarHBondContact CD-OD2 3.43Å; K544-D795 WeakPolarHBondContact CG-OD2 3.29Å
545A97.5Very high95.1Very high0 Ų042 Ų420%022%0.223CC..Hα-helixtrans-63.7-43.9172.300000111.8L467 G541 L542 V543 A548 Y549 V617 I647 L787L467-A545 HydrophobicContact CB-CB 4.37Å; L467-A545 HydrophobicContact CD2-CB 3.99Å; G541-A545 WeakPolarHBondContact O-CB 3.48Å; G541-A545 PolarHBondContact O-N 3.22Å; L542-A545 PolarHBondContact O-N 2.85Å; V543-A545 PolarHBondContact O-N 3.02Å; A545-A548 PolarHBondContact O-N 3.11Å; A545-Y549 PolarHBondContact O-N 2.92Å; A545-V617 HydrophobicContact CB-CG1 4.4Å; A545-V617 HydrophobicContact CB-CG2 3.77Å; A545-I647 HydrophobicContact CB-CD1 4.43Å; A545-I647 HydrophobicContact CB-CG2 4Å; A545-I647 VanDerWaalsContact O-CD1 3.26Å; A545-I647 WeakPolarHBondContact O-CD1 3.2Å; A545-L787 HydrophobicContact CB-CD1 3.99Å
546W97.6Very high95.4Very high25 Ų2541.3 Ų41.310%0.09522%0.219CC..Hα-helixtrans-63.1-44.6176.1173.787.9000112.5L542 V543 A548 Y549 G550 K552 A554 I556 T581 R584 A585 V617L542-W546 PolarHBondContact O-N 2.88Å; V543-W546 WeakPolarHBondContact O-CB 3.45Å; V543-W546 PolarHBondContact O-N 2.7Å; W546-A548 VanDerWaalsContact C-N 3.3Å; W546-A548 PolarHBondContact O-N 2.79Å; W546-Y549 WeakPolarHBondContact O-CB 3.12Å; W546-Y549 PolarHBondContact O-N 2.67Å; W546-Y549 VanDerWaalsContact O-N 3.15Å; W546-G550 PolarHBondContact O-N 2.93Å; W546-K552 WeakPolarHBondContact CZ2-O 3.41Å; W546-A554 VanDerWaalsContact CD1-O 3.28Å; W546-A554 PolarHBondContact NE1-O 3.37Å; W546-I556 HydrophobicContact CB-CD1 3.81Å; W546-I556 HydrophobicContact CB-CG1 3.9Å; W546-I556 HydrophobicContact CG-CD1 4.11Å; W546-I556 HydrophobicContact CG-CG1 4.12Å; W546-T581 HydrophobicContact CZ3-CG2 4.42Å; W546-R584 HydrophobicContact CH2-CB 4.49Å; W546-R584 WeakPolarHBondContact CZ2-O 3.41Å; W546-A585 HydrophobicContact CD2-CB 3.73Å; W546-A585 VanDerWaalsContact CE2-CB 3.44Å; W546-A585 HydrophobicContact CE3-CB 4.11Å; W546-A585 HydrophobicContact CG-CB 4.25Å; W546-A585 HydrophobicContact CH2-CB 3.99Å; W546-A585 HydrophobicContact CZ2-CB 3.59Å; W546-A585 HydrophobicContact CZ3-CB 4.24Å; W546-V617 HydrophobicContact CB-CG2 4.04Å
547E96.3Very high95.6Very high97 Ų9737.9 Ų37.945%0.45320%0.201SC..Hα-helixtrans-58-41.8173.1-73177.8157.800111.7V543 K544 Y549 G550V543-E547 HydrophobicContact CG1-CG 4.27Å; V543-E547 WeakPolarHBondContact O-CG 3.43Å; V543-E547 PolarHBondContact O-N 3.19Å; K544-E547 WeakPolarHBondContact CD-OE2 3.37Å; K544-E547 WeakPolarHBondContact CE-OE2 3.29Å; K544-E547 IonicContact NZ-OE1 3.18Å; K544-E547 IonicContact NZ-OE2 3.24Å; K544-E547 PolarHBondContact NZ-OE2 3.4Å; E547-Y549 VanDerWaalsContact C-N 3.33Å; E547-Y549 PolarHBondContact O-N 2.86Å; E547-G550 PolarHBondContact O-N 3.21Å
548A96.1Very high95.6Very high40 Ų4037.6 Ų37.633%0.33120%0.199SC..Hα-helixtrans-72.3-21.2178.700000114L465 K544 A545 W546 G550 I647 L787L465-A548 HydrophobicContact CD1-CB 3.89Å; K544-A548 VanDerWaalsContact O-CB 3.31Å; K544-A548 WeakPolarHBondContact O-CB 3.5Å; K544-A548 PolarHBondContact O-N 3.37Å; A545-A548 PolarHBondContact O-N 3.11Å; W546-A548 VanDerWaalsContact C-N 3.3Å; W546-A548 PolarHBondContact O-N 2.79Å; A548-G550 VanDerWaalsContact C-N 3.34Å; A548-I647 HydrophobicContact CB-CD1 4.47Å; A548-L787 HydrophobicContact CB-CD2 4.04Å
549Y96Very high95.6Very high37 Ų3737.6 Ų37.615%0.14520%0.199CC..Hα-helixtrans-72.3-29.2170.4-168.9-102000112.2A545 W546 E547 Q551 A554 E614 A616 K645A545-Y549 PolarHBondContact O-N 2.92Å; W546-Y549 WeakPolarHBondContact O-CB 3.12Å; W546-Y549 PolarHBondContact O-N 2.67Å; W546-Y549 VanDerWaalsContact O-N 3.15Å; E547-Y549 VanDerWaalsContact C-N 3.33Å; E547-Y549 PolarHBondContact O-N 2.86Å; Y549-Q551 VanDerWaalsContact C-N 3.28Å; Y549-Q551 HydrophobicContact CD1-CB 3.82Å; Y549-Q551 HydrophobicContact CD1-CG 3.95Å; Y549-Q551 HydrophobicContact CE1-CB 3.83Å; Y549-Q551 HydrophobicContact CE1-CG 3.66Å; Y549-Q551 PolarHBondContact O-N 3.31Å; Y549-A554 HydrophobicContact CD1-CB 4.21Å; Y549-A554 HydrophobicContact CE1-CB 4.06Å; Y549-E614 WeakPolarHBondContact CE1-OE1 3.46Å; Y549-E614 PolarHBondContact OH-OE1 3.42Å; Y549-A616 HydrophobicContact CD1-CB 3.46Å; Y549-A616 VanDerWaalsContact CD1-CB 3.46Å; Y549-A616 HydrophobicContact CE1-CB 4.13Å; Y549-A616 HydrophobicContact CG-CB 3.71Å; Y549-K645 HydrophobicContact CE2-CB 4.21Å; Y549-K645 WeakPolarHBondContact CE2-O 3.5Å
550G93.5Very high95.2Very high51 Ų5137.7 Ų37.753%0.52620%0.2SC..  trans79.5-12.7169.200000116.8W546 E547 A548W546-G550 PolarHBondContact O-N 2.93Å; E547-G550 PolarHBondContact O-N 3.21Å; A548-G550 VanDerWaalsContact C-N 3.34Å
551Q93.2Very high94.2Very high109 Ų10938.3 Ų38.351%0.50920%0.2SC..  trans-88114.7173.9-58.3-57.5-26.100110.9Y549 A554Y549-Q551 VanDerWaalsContact C-N 3.28Å; Y549-Q551 HydrophobicContact CD1-CB 3.82Å; Y549-Q551 HydrophobicContact CD1-CG 3.95Å; Y549-Q551 HydrophobicContact CE1-CB 3.83Å; Y549-Q551 HydrophobicContact CE1-CG 3.66Å; Y549-Q551 PolarHBondContact O-N 3.31Å; Q551-A554 HydrophobicContact CB-CB 3.79Å; Q551-A554 PolarHBondContact O-N 2.66Å
552K89.2Confident92.9Very high157 Ų15742 Ų4268%0.68322%0.219SC*.THydrogen-bonded Turntrans-68.3-36.5-173.7-65.5178.2-178.91740113.5W546 A554W546-K552 WeakPolarHBondContact CZ2-O 3.41Å; K552-A554 VanDerWaalsContact C-N 3.28Å; K552-A554 PolarHBondContact O-N 3.44Å
553D91.2Very high91.5Very high142 Ų14244.1 Ų44.176%0.75924%0.237SC*.THydrogen-bonded Turntrans-88.1-0.1-175.8-47.7-47.6000112.4
554A95Very high90.1Very high2 Ų243.9 Ų43.92%0.01724%0.236CC..  trans-85140.9179.200000111.3W546 Y549 Q551 K552 E614 A616W546-A554 VanDerWaalsContact CD1-O 3.28Å; W546-A554 PolarHBondContact NE1-O 3.37Å; Y549-A554 HydrophobicContact CD1-CB 4.21Å; Y549-A554 HydrophobicContact CE1-CB 4.06Å; Q551-A554 HydrophobicContact CB-CB 3.79Å; Q551-A554 PolarHBondContact O-N 2.66Å; K552-A554 VanDerWaalsContact C-N 3.28Å; K552-A554 PolarHBondContact O-N 3.44Å; A554-E614 CarbonylContact C-O 3.56Å; A554-E614 WeakPolarHBondContact CA-O 3.41Å; A554-E614 HydrophobicContact CB-CB 3.94Å; A554-E614 HydrophobicContact CB-CG 4.25Å; A554-A616 HydrophobicContact CB-CB 3.79Å
555A96.4Very high88.5Confident0 Ų045.3 Ų45.30%024%0.239CC..EExtended strand (participates in β ladder)trans-91.1155.4-168.900000114.6P586 I588 V613 E614 A616 V617A555-P586 CarbonylContact C-O 3.44Å; A555-P586 WeakPolarHBondContact CA-O 3.42Å; A555-P586 HydrophobicContact CB-CB 3.94Å; A555-P586 WeakPolarHBondContact CB-O 3.33Å; A555-I588 HydrophobicContact CB-CD1 3.66Å; A555-I588 HydrophobicContact CB-CG1 3.89Å; A555-I588 HydrophobicContact CB-CG2 4.23Å; A555-V613 HydrophobicContact CB-CG1 3.7Å; A555-E614 PolarHBondContact N-O 2.8Å; A555-A616 PolarHBondContact O-N 2.84Å; A555-V617 PolarHBondContact O-N 2.95Å
556I97.4Very high87.3Confident0 Ų046.5 Ų46.50%025%0.246CC..EExtended strand (participates in β ladder)trans-89.3107.5160.2-61.9165.9000107.4W546 F558 I577 A585 P586 I588 V617W546-I556 HydrophobicContact CB-CD1 3.81Å; W546-I556 HydrophobicContact CB-CG1 3.9Å; W546-I556 HydrophobicContact CG-CD1 4.11Å; W546-I556 HydrophobicContact CG-CG1 4.12Å; I556-F558 HydrophobicContact CG2-CD2 4.36Å; I556-F558 HydrophobicContact CG2-CE2 4.13Å; I556-I577 HydrophobicContact CD1-CD1 4.47Å; I556-I577 HydrophobicContact CD1-CG2 3.66Å; I556-A585 HydrophobicContact CD1-CB 4.37Å; I556-P586 PolarHBondContact N-O 3.36Å; I556-I588 PolarHBondContact O-N 2.87Å; I556-V617 HydrophobicContact CB-CB 4.49Å; I556-V617 HydrophobicContact CG1-CB 4.16Å; I556-V617 HydrophobicContact CG1-CG2 4.23Å; I556-V617 HydrophobicContact CG2-CB 4.29Å
557A96.4Very high86.2Confident1 Ų145.9 Ų45.91%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-94.1114-17900000111.6I559 I588 V615 V617 Y619A557-I559 HydrophobicContact CB-CD1 4.21Å; A557-I559 PolarHBondContact O-N 2.92Å; A557-I588 CarbonylContact C-O 3.59Å; A557-I588 WeakPolarHBondContact CA-O 3.48Å; A557-I588 HydrophobicContact CB-CD1 4.12Å; A557-I588 HydrophobicContact CB-CG1 3.79Å; A557-V615 HydrophobicContact CB-CG1 3.7Å; A557-V615 HydrophobicContact CB-CG2 4.3Å; A557-V617 PolarHBondContact N-O 2.59Å; A557-Y619 PolarHBondContact O-N 3.46Å
558F95.3Very high85Confident0 Ų041.8 Ų41.80%023%0.227CC..EExtended strand (participates in β ladder)trans-79.8108.8168.6-79-118.5000109.3L542 I556 H570 I573 E574 I577 V587 I588 R589 L590 Y619 R621L542-F558 HydrophobicContact CD1-CZ 4.44Å; I556-F558 HydrophobicContact CG2-CD2 4.36Å; I556-F558 HydrophobicContact CG2-CE2 4.13Å; F558-H570 HydrophobicContact CD1-CB 4.39Å; F558-H570 HydrophobicContact CE1-CB 4.37Å; F558-I573 HydrophobicContact CE1-CB 4.34Å; F558-I573 HydrophobicContact CE1-CG2 4.2Å; F558-I573 HydrophobicContact CZ-CB 4.2Å; F558-I573 HydrophobicContact CZ-CG2 3.76Å; F558-E574 HydrophobicContact CD1-CG 4.33Å; F558-E574 HydrophobicContact CD2-CG 4.17Å; F558-E574 HydrophobicContact CE1-CG 3.86Å; F558-E574 HydrophobicContact CE2-CG 3.71Å; F558-E574 HydrophobicContact CG-CG 4.46Å; F558-E574 HydrophobicContact CZ-CB 4.5Å; F558-E574 HydrophobicContact CZ-CG 3.53Å; F558-I577 HydrophobicContact CE2-CD1 4.04Å; F558-I577 HydrophobicContact CZ-CD1 4.1Å; F558-V587 HydrophobicContact CD2-CG1 3.94Å; F558-V587 HydrophobicContact CE2-CG1 3.77Å; F558-I588 PolarHBondContact N-O 2.84Å; F558-R589 HydrophobicContact CB-CG 4.28Å; F558-R589 WeakPolarHBondContact O-CA 3.25Å; F558-L590 PolarHBondContact O-N 3.13Å; F558-Y619 AromaticContact CD1-CD1 3.61Å; F558-Y619 HydrophobicContact CD1-CD1 3.61Å; F558-Y619 AromaticContact CD1-CE1 3.93Å; F558-Y619 HydrophobicContact CD1-CE1 3.93Å; F558-Y619 HydrophobicContact CD2-CD1 4.24Å; F558-Y619 AromaticContact CE1-CD1 3.47Å; F558-Y619 HydrophobicContact CE1-CD1 3.47Å; F558-Y619 VanDerWaalsContact CE1-CD1 3.47Å; F558-Y619 AromaticContact CE1-CE1 3.48Å; F558-Y619 HydrophobicContact CE1-CE1 3.48Å; F558-Y619 VanDerWaalsContact CE1-CE1 3.48Å; F558-Y619 HydrophobicContact CE2-CD1 4.1Å; F558-Y619 HydrophobicContact CG-CD1 4.01Å; F558-Y619 AromaticContact CZ-CD1 3.73Å; F558-Y619 HydrophobicContact CZ-CD1 3.73Å; F558-Y619 AromaticContact CZ-CE1 3.94Å; F558-Y619 HydrophobicContact CZ-CE1 3.94Å; F558-R621 HydrophobicContact CD1-CG 4.5Å
559I94.6Very high84.3Confident2 Ų239.9 Ų39.91%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-86.7117.8173.6-45.3-56.1000108.1A557 L590 L592 Y619 F620 R621 T622A557-I559 HydrophobicContact CB-CD1 4.21Å; A557-I559 PolarHBondContact O-N 2.92Å; I559-L590 CarbonylContact C-O 3.59Å; I559-L590 WeakPolarHBondContact CA-O 3.45Å; I559-L590 HydrophobicContact CD1-CB 4.11Å; I559-L590 HydrophobicContact CD1-CD1 4.11Å; I559-L592 HydrophobicContact CG2-CB 4.42Å; I559-L592 HydrophobicContact CG2-CD1 4.02Å; I559-Y619 PolarHBondContact N-O 2.76Å; I559-F620 HydrophobicContact CB-CD1 3.99Å; I559-F620 HydrophobicContact CB-CE1 4.21Å; I559-F620 HydrophobicContact CG1-CD1 4.38Å; I559-F620 HydrophobicContact CG1-CE1 4.26Å; I559-F620 HydrophobicContact CG2-CD1 4.08Å; I559-F620 HydrophobicContact CG2-CE1 4.03Å; I559-R621 PolarHBondContact O-N 2.97Å; I559-T622 HydrophobicContact CB-CG2 4.38Å; I559-T622 HydrophobicContact CG2-CG2 3.81Å; I559-T622 WeakPolarHBondContact O-CG2 3.47Å
560S87.6Confident83.8Confident1 Ų138.3 Ų38.31%0.00721%0.205CC..EExtended strand (participates in β ladder)trans-129.9166.8-172.556.30000115.9R589 L590 N591 L592S560-R589 PolarHBondContact OG-NH2 3.23Å; S560-L590 PolarHBondContact N-O 2.55Å; S560-N591 CarbonylContact O-C 3.55Å; S560-N591 VanDerWaalsContact O-CA 3.29Å; S560-N591 WeakPolarHBondContact O-CA 3.45Å; S560-N591 PolarHBondContact OG-OD1 3.42Å; S560-L592 PolarHBondContact O-N 2.91Å
561E76.8Confident83.1Confident54 Ų5441.3 Ų41.325%0.25220%0.2SC..  trans-65.1150.1163.9-62.6164.1-16300110.4A563 T622 Y624 Q628E561-A563 PolarHBondContact O-N 3.35Å; E561-T622 WeakPolarHBondContact CG-OG1 3.48Å; E561-Y624 WeakPolarHBondContact OE1-CE1 3.34Å; E561-Y624 VanDerWaalsContact OE1-CZ 3.3Å; E561-Y624 PolarHBondContact OE1-OH 3.24Å; E561-Q628 PolarHBondContact OE1-NE2 3.09Å
562D69.8Low82.5Confident78 Ų7836.8 Ų36.842%0.41718%0.18SC..THydrogen-bonded Turntrans-60.6-44.1177.8-64.5-59.9000112.3N591 N593D562-N591 WeakPolarHBondContact CA-ND2 3.37Å; D562-N591 WeakPolarHBondContact OD1-CB 3.31Å; D562-N591 PolarHBondContact OD1-ND2 3.35Å; D562-N593 PolarHBondContact OD2-ND2 2.96Å
563A68Low82.5Confident44 Ų4429.3 Ų29.336%0.36415%0.147SC..THydrogen-bonded Turntrans-111.764.1-173.600000112.4C384 D385 E561 R565C384-A563 HydrophobicContact CB-CB 4.16Å; D385-A563 WeakPolarHBondContact OD1-CB 3.38Å; E561-A563 PolarHBondContact O-N 3.35Å; A563-R565 PolarHBondContact O-N 3.21Å; A563-R565 VanDerWaalsContact O-N 3.13Å
564C67.3Low82.3Confident8 Ų822.8 Ų22.85%0.05411%0.112CC..  trans-76.7101.5-174.5-175.10000113.7N566 I567 H570C564-N566 PolarHBondContact O-N 3.29Å; C564-I567 HydrophobicContact CB-CB 4.4Å; C564-I567 HydrophobicContact CB-CD1 4.47Å; C564-I567 WeakPolarHBondContact O-CB 3.17Å; C564-I567 PolarHBondContact O-N 3.28Å; C564-I567 PolarHBondContact SG-N 3.36Å; C564-I567 VanDerWaalsContact SG-N 3.4Å; C564-H570 PolarHBondContact SG-CE1 3.25Å
565R63.9Low81.6Confident103 Ų10323.2 Ų23.239%0.38911%0.114SC..THydrogen-bonded Turntrans-59-34.4172.3-166.1-178.8177.6-171.80.7113.2R379 E391 A563 I567R379-R565 PolarHBondContact N-O 3.37Å; R379-R565 VanDerWaalsContact O-CG 3.25Å; R379-R565 WeakPolarHBondContact O-CG 3.44Å; R379-R565 PolarHBondContact O-NE 3.24Å; E391-R565 IonicContact OE2-NH2 3.49Å; E391-R565 PolarHBondContact OE2-NH2 3.05Å; A563-R565 PolarHBondContact O-N 3.21Å; A563-R565 VanDerWaalsContact O-N 3.13Å; R565-I567 VanDerWaalsContact C-N 3.29Å; R565-I567 PolarHBondContact O-N 3.17Å
566N71.2Confident81.1Confident26 Ų2624 Ų2414%0.13912%0.12CC..THydrogen-bonded Turntrans-88.418.8-176.5-164.941.3000113.6F501 L504 C564 A568 D569F501-N566 WeakPolarHBondContact CE1-OD1 3.02Å; L504-N566 WeakPolarHBondContact CD1-OD1 3.18Å; C564-N566 PolarHBondContact O-N 3.29Å; N566-A568 PolarHBondContact O-N 2.91Å; N566-D569 WeakPolarHBondContact ND2-CB 3.26Å; N566-D569 PolarHBondContact ND2-OD2 3.15Å; N566-D569 WeakPolarHBondContact O-CB 3.14Å; N566-D569 PolarHBondContact O-N 3.06Å
567I75.8Confident80.7Confident11 Ų1124 Ų246%0.05612%0.12CC..Hα-helixtrans-54.1-30.7-172.8-168.361000114.3R379 F390 C564 R565 D569 H570 R571R379-I567 HydrophobicContact CG-CG2 3.88Å; F390-I567 HydrophobicContact CE1-CG2 4.27Å; C564-I567 HydrophobicContact CB-CB 4.4Å; C564-I567 HydrophobicContact CB-CD1 4.47Å; C564-I567 WeakPolarHBondContact O-CB 3.17Å; C564-I567 PolarHBondContact O-N 3.28Å; C564-I567 PolarHBondContact SG-N 3.36Å; C564-I567 VanDerWaalsContact SG-N 3.4Å; R565-I567 VanDerWaalsContact C-N 3.29Å; R565-I567 PolarHBondContact O-N 3.17Å; I567-D569 VanDerWaalsContact C-N 3.3Å; I567-D569 PolarHBondContact O-N 2.8Å; I567-H570 HydrophobicContact CD1-CB 4.32Å; I567-H570 WeakPolarHBondContact O-CA 3.16Å; I567-H570 WeakPolarHBondContact O-CB 3.33Å; I567-H570 PolarHBondContact O-N 2.74Å; I567-R571 HydrophobicContact CG1-CG 4.39Å; I567-R571 PolarHBondContact O-N 3.24Å
568A70.2Confident80.2Confident12 Ų1225.3 Ų25.310%0.09913%0.126CC..Hα-helixtrans-64.6-32.7178.800000113I377 N566 H570 R571 L572I377-A568 HydrophobicContact CG1-CB 4.1Å; I377-A568 WeakPolarHBondContact O-CB 3.47Å; N566-A568 PolarHBondContact O-N 2.91Å; A568-H570 VanDerWaalsContact C-N 3.26Å; A568-H570 PolarHBondContact O-N 3.19Å; A568-R571 PolarHBondContact O-N 3.18Å; A568-L572 VanDerWaalsContact O-CG 3.31Å; A568-L572 WeakPolarHBondContact O-CG 3.37Å; A568-L572 PolarHBondContact O-N 3Å; A568-L572 VanDerWaalsContact O-N 3.09Å
569D80.8Confident79.5Confident0 Ų028.3 Ų28.30%014%0.14CC..Hα-helixtrans-63.9-34.3171.8-173.159.2000111.1F501 A502 G503 L504 N566 I567 I573 R621F501-D569 VanDerWaalsContact C-OD1 3.27Å; F501-D569 WeakPolarHBondContact CA-OD1 3.48Å; F501-D569 PolarHBondContact N-OD1 3.38Å; F501-D569 PolarHBondContact N-OD2 3.02Å; A502-D569 PolarHBondContact N-OD1 2.92Å; G503-D569 WeakPolarHBondContact CA-OD1 3.38Å; G503-D569 PolarHBondContact N-OD1 3.31Å; L504-D569 HydrophobicContact CD1-CB 4.21Å; L504-D569 HydrophobicContact CG-CB 4.13Å; L504-D569 PolarHBondContact N-OD1 2.71Å; L504-D569 VanDerWaalsContact N-OD1 3.12Å; N566-D569 WeakPolarHBondContact ND2-CB 3.26Å; N566-D569 PolarHBondContact ND2-OD2 3.15Å; N566-D569 WeakPolarHBondContact O-CB 3.14Å; N566-D569 PolarHBondContact O-N 3.06Å; I567-D569 VanDerWaalsContact C-N 3.3Å; I567-D569 PolarHBondContact O-N 2.8Å; D569-I573 WeakPolarHBondContact O-CD1 3.28Å; D569-I573 WeakPolarHBondContact O-CG1 3.02Å; D569-R621 IonicContact OD2-CZ 3.22Å; D569-R621 IonicContact OD2-NH1 3.68Å; D569-R621 PolarHBondContact OD2-NH1 3.49Å; D569-R621 IonicContact OD2-NH2 3.13Å; D569-R621 PolarHBondContact OD2-NH2 2.89Å
570H85.3Confident79.2Confident4 Ų432 Ų322%0.01916%0.159CC..Hα-helixtrans-72.3-50.4176.1-54.3178.7000110.7F558 C564 I567 A568 L572 I573 E574 R589 R621F558-H570 HydrophobicContact CD1-CB 4.39Å; F558-H570 HydrophobicContact CE1-CB 4.37Å; C564-H570 PolarHBondContact SG-CE1 3.25Å; I567-H570 HydrophobicContact CD1-CB 4.32Å; I567-H570 WeakPolarHBondContact O-CA 3.16Å; I567-H570 WeakPolarHBondContact O-CB 3.33Å; I567-H570 PolarHBondContact O-N 2.74Å; A568-H570 VanDerWaalsContact C-N 3.26Å; A568-H570 PolarHBondContact O-N 3.19Å; H570-L572 PolarHBondContact O-N 2.94Å; H570-I573 WeakPolarHBondContact O-CA 3.37Å; H570-I573 WeakPolarHBondContact O-CB 3.4Å; H570-I573 PolarHBondContact O-N 2.79Å; H570-E574 WeakPolarHBondContact O-CG 3.43Å; H570-E574 PolarHBondContact O-N 3.49Å; H570-R589 PolarHBondContact ND1-NH2 2.79Å; H570-R621 PolarHBondContact CD2-NH1 3.34Å; H570-R621 PolarHBondContact CD2-NH2 3.04Å; H570-R621 PolarHBondContact NE2-NE 2.92Å; H570-R621 PolarHBondContact NE2-NH2 3.36Å
571R80.8Confident79.2Confident113 Ų11332.2 Ų32.243%0.42616%0.159SC..Hα-helixtrans-58-33.7179.8-66.7-49.8-156.3163.38.8113.1T371 I567 A568 E574 H575T371-R571 HydrophobicContact CG2-CB 4.36Å; I567-R571 HydrophobicContact CG1-CG 4.39Å; I567-R571 PolarHBondContact O-N 3.24Å; A568-R571 PolarHBondContact O-N 3.18Å; R571-E574 WeakPolarHBondContact CD-OE2 3.27Å; R571-E574 IonicContact CZ-OE2 2.66Å; R571-E574 IonicContact NE-OE2 3.14Å; R571-E574 IonicContact NH1-OE2 3.99Å; R571-E574 PolarHBondContact NH1-OE2 2.73Å; R571-H575 WeakPolarHBondContact O-CB 3.37Å; R571-H575 PolarHBondContact O-N 3.36Å
572L79.6Confident79.4Confident15 Ų1531.9 Ų31.98%0.07917%0.171CC..Hα-helixtrans-63.5-40.4172.9-75.1170.4000112.4L504 Q507 L535 A568 H570 S576L504-L572 HydrophobicContact CD2-CD1 4.34Å; Q507-L572 HydrophobicContact CG-CD1 3.86Å; L535-L572 HydrophobicContact CD1-CB 4.26Å; L535-L572 WeakPolarHBondContact CD1-O 3.34Å; L535-L572 HydrophobicContact CD2-CB 4.48Å; A568-L572 VanDerWaalsContact O-CG 3.31Å; A568-L572 WeakPolarHBondContact O-CG 3.37Å; A568-L572 PolarHBondContact O-N 3Å; A568-L572 VanDerWaalsContact O-N 3.09Å; H570-L572 PolarHBondContact O-N 2.94Å; L572-S576 WeakPolarHBondContact O-CB 3.37Å; L572-S576 PolarHBondContact O-N 2.86Å; L572-S576 VanDerWaalsContact O-N 3.1Å
573I88.6Confident80Confident0 Ų033.1 Ų33.10%017%0.17CC..Hα-helixtrans-69.9-46.6178.4-61.6162.2000110.3L535 V538 S539 L542 F558 D569 H570 S576 I577 Y619L535-I573 HydrophobicContact CD1-CB 4.33Å; L535-I573 HydrophobicContact CD1-CG1 3.83Å; V538-I573 HydrophobicContact CG1-CD1 3.9Å; V538-I573 HydrophobicContact CG1-CG1 4.19Å; V538-I573 HydrophobicContact CG1-CG2 3.94Å; S539-I573 WeakPolarHBondContact OG-CA 3.48Å; S539-I573 VanDerWaalsContact OG-CG2 3.3Å; S539-I573 WeakPolarHBondContact OG-CG2 3.28Å; S539-I573 PolarHBondContact OG-O 2.79Å; L542-I573 HydrophobicContact CD1-CG2 3.83Å; F558-I573 HydrophobicContact CE1-CB 4.34Å; F558-I573 HydrophobicContact CE1-CG2 4.2Å; F558-I573 HydrophobicContact CZ-CB 4.2Å; F558-I573 HydrophobicContact CZ-CG2 3.76Å; D569-I573 WeakPolarHBondContact O-CD1 3.28Å; D569-I573 WeakPolarHBondContact O-CG1 3.02Å; H570-I573 WeakPolarHBondContact O-CA 3.37Å; H570-I573 WeakPolarHBondContact O-CB 3.4Å; H570-I573 PolarHBondContact O-N 2.79Å; I573-S576 PolarHBondContact O-N 3.38Å; I573-I577 HydrophobicContact CG2-CD1 4.07Å; I573-I577 WeakPolarHBondContact O-CG1 3.22Å; I573-I577 PolarHBondContact O-N 2.59Å; I573-Y619 HydrophobicContact CG2-CE1 4.48Å
574E87.9Confident80.9Confident4 Ų439.7 Ų39.72%0.01919%0.186CC..Hα-helixtrans-53.2-56.2175.3-66.2164.4-147.100110.8F558 H570 R571 S576 I577 E578 V587 R589F558-E574 HydrophobicContact CD1-CG 4.33Å; F558-E574 HydrophobicContact CD2-CG 4.17Å; F558-E574 HydrophobicContact CE1-CG 3.86Å; F558-E574 HydrophobicContact CE2-CG 3.71Å; F558-E574 HydrophobicContact CG-CG 4.46Å; F558-E574 HydrophobicContact CZ-CB 4.5Å; F558-E574 HydrophobicContact CZ-CG 3.53Å; H570-E574 WeakPolarHBondContact O-CG 3.43Å; H570-E574 PolarHBondContact O-N 3.49Å; R571-E574 WeakPolarHBondContact CD-OE2 3.27Å; R571-E574 IonicContact CZ-OE2 2.66Å; R571-E574 IonicContact NE-OE2 3.14Å; R571-E574 IonicContact NH1-OE2 3.99Å; R571-E574 PolarHBondContact NH1-OE2 2.73Å; E574-S576 VanDerWaalsContact C-N 3.26Å; E574-S576 PolarHBondContact O-N 3.38Å; E574-I577 WeakPolarHBondContact O-CB 3.5Å; E574-I577 PolarHBondContact O-N 3.07Å; E574-E578 WeakPolarHBondContact O-CG 3.21Å; E574-E578 PolarHBondContact O-N 3.15Å; E574-V587 HydrophobicContact CB-CG1 4.11Å; E574-V587 HydrophobicContact CG-CG1 3.85Å; E574-R589 WeakPolarHBondContact OE1-CD 3.11Å; E574-R589 IonicContact OE1-CZ 3.99Å; E574-R589 IonicContact OE1-NE 2.75Å; E574-R589 IonicContact OE1-NH1 3.64Å; E574-R589 PolarHBondContact OE1-NH1 3.43Å
575H79.7Confident81.8Confident11 Ų1139.4 Ų39.45%0.05118%0.184CC..Hα-helixtrans-60.3-35.4178.5-17434.1000112.7E364 H368 R372 R571 I577 E578 M579 Y583E364-H575 WeakPolarHBondContact CG-CE1 3.16Å; E364-H575 IonicContact OE1-CE1 2.69Å; E364-H575 PolarHBondContact OE1-CE1 3.38Å; E364-H575 VanDerWaalsContact OE1-CE1 3.22Å; E364-H575 IonicContact OE1-NE2 2.77Å; E364-H575 PolarHBondContact OE1-NE2 2.81Å; E364-H575 IonicContact OE2-CE1 3.93Å; E364-H575 PolarHBondContact OE2-CE1 3.46Å; E364-H575 IonicContact OE2-NE2 3.67Å; E364-H575 PolarHBondContact OE2-NE2 3.41Å; H368-H575 AromaticContact CD2-CE1 3.76Å; H368-H575 AromaticContact CD2-CG 3.76Å; H368-H575 AromaticContact CD2-ND1 3.34Å; H368-H575 PolarHBondContact CD2-ND1 3.1Å; H368-H575 VanDerWaalsContact CD2-ND1 3.34Å; H368-H575 AromaticContact CG-CE1 4Å; R372-H575 WeakPolarHBondContact CD-NE2 3.43Å; R372-H575 WeakPolarHBondContact CG-NE2 3.25Å; R372-H575 PolarHBondContact NE-NE2 2.85Å; R372-H575 PolarHBondContact NH1-NE2 2.89Å; R372-H575 PolarHBondContact NH2-NE2 2.91Å; R571-H575 WeakPolarHBondContact O-CB 3.37Å; R571-H575 PolarHBondContact O-N 3.36Å; H575-I577 VanDerWaalsContact C-N 3.35Å; H575-E578 IonicContact ND1-OE2 2.62Å; H575-M579 VanDerWaalsContact CE1-CG 3.48Å; H575-M579 WeakPolarHBondContact CE1-CG 3.32Å; H575-M579 PolarHBondContact CE1-SD 2.85Å; H575-M579 WeakPolarHBondContact O-CB 3.24Å; H575-M579 WeakPolarHBondContact O-CG 3.32Å; H575-M579 PolarHBondContact O-N 3.41Å; H575-Y583 PolarHBondContact CE1-OH 2.76Å
576S86.1Confident83.1Confident18 Ų1836.8 Ų36.813%0.12618%0.18CC..Hα-helixtrans-67.7-35.2175.9-176.90000112.2S539 L572 I573 E574 M580S539-S576 WeakPolarHBondContact CB-OG 3.38Å; S539-S576 WeakPolarHBondContact OG-CB 3.17Å; L572-S576 WeakPolarHBondContact O-CB 3.37Å; L572-S576 PolarHBondContact O-N 2.86Å; L572-S576 VanDerWaalsContact O-N 3.1Å; I573-S576 PolarHBondContact O-N 3.38Å; E574-S576 VanDerWaalsContact C-N 3.26Å; E574-S576 PolarHBondContact O-N 3.38Å; S576-M580 WeakPolarHBondContact O-CB 3.18Å; S576-M580 WeakPolarHBondContact O-CE 3.39Å; S576-M580 VanDerWaalsContact O-CG 3.25Å; S576-M580 WeakPolarHBondContact O-CG 3.45Å; S576-M580 PolarHBondContact O-N 3.4Å; S576-M580 VanDerWaalsContact O-N 3.09Å
577I89.1Confident84Confident0 Ų037 Ų370%018%0.182CC..Hα-helixtrans-66.8-49174.3-69163.5000110.5L542 V543 I556 F558 I573 E574 H575 M579 M580 T581 V587L542-I577 HydrophobicContact CB-CD1 3.91Å; L542-I577 HydrophobicContact CB-CG1 4.43Å; L542-I577 HydrophobicContact CD1-CD1 3.73Å; L542-I577 HydrophobicContact CG-CD1 4.46Å; V543-I577 HydrophobicContact CG2-CB 4.35Å; V543-I577 HydrophobicContact CG2-CG1 4.26Å; V543-I577 HydrophobicContact CG2-CG2 3.97Å; I556-I577 HydrophobicContact CD1-CD1 4.47Å; I556-I577 HydrophobicContact CD1-CG2 3.66Å; F558-I577 HydrophobicContact CE2-CD1 4.04Å; F558-I577 HydrophobicContact CZ-CD1 4.1Å; I573-I577 HydrophobicContact CG2-CD1 4.07Å; I573-I577 WeakPolarHBondContact O-CG1 3.22Å; I573-I577 PolarHBondContact O-N 2.59Å; E574-I577 WeakPolarHBondContact O-CB 3.5Å; E574-I577 PolarHBondContact O-N 3.07Å; H575-I577 VanDerWaalsContact C-N 3.35Å; I577-M579 VanDerWaalsContact C-N 3.35Å; I577-M579 PolarHBondContact O-N 2.91Å; I577-M580 PolarHBondContact O-N 3.4Å; I577-T581 HydrophobicContact CG2-CG2 4.43Å; I577-T581 WeakPolarHBondContact O-CB 3.35Å; I577-T581 WeakPolarHBondContact O-CG2 3.48Å; I577-T581 PolarHBondContact O-N 3.12Å; I577-T581 PolarHBondContact O-OG1 3.26Å; I577-V587 HydrophobicContact CB-CG2 4.35Å; I577-V587 HydrophobicContact CG2-CG2 3.73Å
578E85.7Confident84.8Confident28 Ų2838.4 Ų38.413%0.13119%0.19CC..Hα-helixtrans-55.4-49.6177.5-71166.6-17800111.2H368 E574 H575 M580 T581 G582 Y583 V587H368-E578 IonicContact CD2-OE2 3.55Å; H368-E578 IonicContact NE2-OE2 3.67Å; E574-E578 WeakPolarHBondContact O-CG 3.21Å; E574-E578 PolarHBondContact O-N 3.15Å; H575-E578 IonicContact ND1-OE2 2.62Å; E578-M580 PolarHBondContact O-N 3.04Å; E578-T581 PolarHBondContact O-N 2.74Å; E578-T581 PolarHBondContact O-OG1 3.34Å; E578-G582 WeakPolarHBondContact O-CA 3.48Å; E578-G582 PolarHBondContact O-N 3.11Å; E578-Y583 HydrophobicContact CB-CD1 3.83Å; E578-Y583 HydrophobicContact CB-CE1 3.67Å; E578-Y583 HydrophobicContact CG-CD1 4.17Å; E578-Y583 HydrophobicContact CG-CE1 4.18Å; E578-Y583 PolarHBondContact O-N 3.38Å; E578-V587 HydrophobicContact CG-CG2 4.17Å
579M80.9Confident85.7Confident62 Ų6240.7 Ų40.731%0.30520%0.195SC..Hα-helixtrans-65.9-34.8179.3-69.3-65.8-51.100113.7E364 H575 I577 Y583E364-M579 HydrophobicContact CG-SD 4.27Å; H575-M579 VanDerWaalsContact CE1-CG 3.48Å; H575-M579 WeakPolarHBondContact CE1-CG 3.32Å; H575-M579 PolarHBondContact CE1-SD 2.85Å; H575-M579 WeakPolarHBondContact O-CB 3.24Å; H575-M579 WeakPolarHBondContact O-CG 3.32Å; H575-M579 PolarHBondContact O-N 3.41Å; I577-M579 VanDerWaalsContact C-N 3.35Å; I577-M579 PolarHBondContact O-N 2.91Å; M579-Y583 HydrophobicContact SD-CE2 4.37Å
580M87.8Confident86.2Confident81 Ų8140.9 Ų40.940%0.39920%0.197SC..Hα-helixtrans-76.1-34.3177.6-75.9-171.6-60.400112.8S539 V543 S576 I577 E578S539-M580 VanDerWaalsContact C-CE 3.47Å; V543-M580 HydrophobicContact CG2-CE 4.12Å; S576-M580 WeakPolarHBondContact O-CB 3.18Å; S576-M580 WeakPolarHBondContact O-CE 3.39Å; S576-M580 VanDerWaalsContact O-CG 3.25Å; S576-M580 WeakPolarHBondContact O-CG 3.45Å; S576-M580 PolarHBondContact O-N 3.4Å; S576-M580 VanDerWaalsContact O-N 3.09Å; I577-M580 PolarHBondContact O-N 3.4Å; E578-M580 PolarHBondContact O-N 3.04Å
581T87.7Confident86.3Confident4 Ų442.5 Ų42.53%0.02521%0.205CC..Hα-helixtrans-83.5-18.1178.258.30000112.2V543 W546 I577 E578 R584 A585V543-T581 HydrophobicContact CB-CG2 4.44Å; V543-T581 HydrophobicContact CG1-CG2 3.89Å; V543-T581 HydrophobicContact CG2-CG2 3.69Å; W546-T581 HydrophobicContact CZ3-CG2 4.42Å; I577-T581 HydrophobicContact CG2-CG2 4.43Å; I577-T581 WeakPolarHBondContact O-CB 3.35Å; I577-T581 WeakPolarHBondContact O-CG2 3.48Å; I577-T581 PolarHBondContact O-N 3.12Å; I577-T581 PolarHBondContact O-OG1 3.26Å; E578-T581 PolarHBondContact O-N 2.74Å; E578-T581 PolarHBondContact O-OG1 3.34Å; T581-R584 PolarHBondContact O-NE 3.24Å; T581-R584 PolarHBondContact O-NH2 3.13Å; T581-A585 HydrophobicContact CG2-CB 3.67Å
582G82Confident86.7Confident47 Ų4737.3 Ų37.349%0.48519%0.186SC..THydrogen-bonded Turntrans7143.4-171.500000111E578 R584E578-G582 WeakPolarHBondContact O-CA 3.48Å; E578-G582 PolarHBondContact O-N 3.11Å; G582-R584 PolarHBondContact O-N 3.17Å
583Y81.7Confident87Confident104 Ų10438.3 Ų38.341%0.40819%0.192SC..SBendtrans60.75.9-175.6-59-84.9000115.9H575 E578 M579 A585H575-Y583 PolarHBondContact CE1-OH 2.76Å; E578-Y583 HydrophobicContact CB-CD1 3.83Å; E578-Y583 HydrophobicContact CB-CE1 3.67Å; E578-Y583 HydrophobicContact CG-CD1 4.17Å; E578-Y583 HydrophobicContact CG-CE1 4.18Å; E578-Y583 PolarHBondContact O-N 3.38Å; M579-Y583 HydrophobicContact SD-CE2 4.37Å; Y583-A585 PolarHBondContact O-N 3.29Å
584R87Confident87Confident183 Ų18341.2 Ų41.269%0.69121%0.205SC*.  trans-74-17.8-179.7-69.3178.4-65.31695.2115W546 T581 G582W546-R584 HydrophobicContact CH2-CB 4.49Å; W546-R584 WeakPolarHBondContact CZ2-O 3.41Å; T581-R584 PolarHBondContact O-NE 3.24Å; T581-R584 PolarHBondContact O-NH2 3.13Å; G582-R584 PolarHBondContact O-N 3.17Å
585A86.6Confident87.2Confident2 Ų241 Ų412%0.01720%0.204CC..SBendtrans-101.6113.9173.900000109.1W546 I556 T581 Y583 V587W546-A585 HydrophobicContact CD2-CB 3.73Å; W546-A585 VanDerWaalsContact CE2-CB 3.44Å; W546-A585 HydrophobicContact CE3-CB 4.11Å; W546-A585 HydrophobicContact CG-CB 4.25Å; W546-A585 HydrophobicContact CH2-CB 3.99Å; W546-A585 HydrophobicContact CZ2-CB 3.59Å; W546-A585 HydrophobicContact CZ3-CB 4.24Å; I556-A585 HydrophobicContact CD1-CB 4.37Å; T581-A585 HydrophobicContact CG2-CB 3.67Å; Y583-A585 PolarHBondContact O-N 3.29Å; A585-V587 PolarHBondContact O-N 3.19Å
586P90.2Very high87.9Confident47 Ų4742.7 Ų42.731%0.30522%0.216SC..  trans-61.9130.8175.5-21.632.9000110.5A555 I556A555-P586 CarbonylContact C-O 3.44Å; A555-P586 WeakPolarHBondContact CA-O 3.42Å; A555-P586 HydrophobicContact CB-CB 3.94Å; A555-P586 WeakPolarHBondContact CB-O 3.33Å; I556-P586 PolarHBondContact N-O 3.36Å
587V90.7Very high88.1Confident30 Ų3050.6 Ų50.618%0.18225%0.248CC..EExtended strand (participates in β ladder)trans-113.6122.5176.2-176.20000108.8F558 E574 I577 E578 A585F558-V587 HydrophobicContact CD2-CG1 3.94Å; F558-V587 HydrophobicContact CE2-CG1 3.77Å; E574-V587 HydrophobicContact CB-CG1 4.11Å; E574-V587 HydrophobicContact CG-CG1 3.85Å; I577-V587 HydrophobicContact CB-CG2 4.35Å; I577-V587 HydrophobicContact CG2-CG2 3.73Å; E578-V587 HydrophobicContact CG-CG2 4.17Å; A585-V587 PolarHBondContact O-N 3.19Å
588I91.7Very high88.3Confident42 Ų4253.5 Ų53.522%0.21526%0.261CS..EExtended strand (participates in β ladder)trans-127.8153.8-176.165.6-178.1000111.1A555 I556 A557 F558 V608 V613A555-I588 HydrophobicContact CB-CD1 3.66Å; A555-I588 HydrophobicContact CB-CG1 3.89Å; A555-I588 HydrophobicContact CB-CG2 4.23Å; I556-I588 PolarHBondContact O-N 2.87Å; A557-I588 CarbonylContact C-O 3.59Å; A557-I588 WeakPolarHBondContact CA-O 3.48Å; A557-I588 HydrophobicContact CB-CD1 4.12Å; A557-I588 HydrophobicContact CB-CG1 3.79Å; F558-I588 PolarHBondContact N-O 2.84Å; I588-V608 HydrophobicContact CD1-CB 4.37Å; I588-V608 HydrophobicContact CD1-CG2 3.53Å; I588-V613 HydrophobicContact CD1-CG1 4.47Å
589R89.3Confident88.7Confident59 Ų5952.6 Ų52.622%0.22326%0.257CS..EExtended strand (participates in β ladder)trans-117.7133.6176.6-60.6-171.260.169.317.1110F558 S560 H570 E574F558-R589 HydrophobicContact CB-CG 4.28Å; F558-R589 WeakPolarHBondContact O-CA 3.25Å; S560-R589 PolarHBondContact OG-NH2 3.23Å; H570-R589 PolarHBondContact ND1-NH2 2.79Å; E574-R589 WeakPolarHBondContact OE1-CD 3.11Å; E574-R589 IonicContact OE1-CZ 3.99Å; E574-R589 IonicContact OE1-NE 2.75Å; E574-R589 IonicContact OE1-NH1 3.64Å; E574-R589 PolarHBondContact OE1-NH1 3.43Å
590L91Very high89.4Confident5 Ų552.5 Ų52.53%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-130.4136.8173.9-63.4174.3000108.7F558 I559 S560 K598 L599 V608F558-L590 PolarHBondContact O-N 3.13Å; I559-L590 CarbonylContact C-O 3.59Å; I559-L590 WeakPolarHBondContact CA-O 3.45Å; I559-L590 HydrophobicContact CD1-CB 4.11Å; I559-L590 HydrophobicContact CD1-CD1 4.11Å; S560-L590 PolarHBondContact N-O 2.55Å; L590-K598 HydrophobicContact CD2-CB 4.34Å; L590-K598 HydrophobicContact CD2-CD 3.81Å; L590-L599 HydrophobicContact CD1-CD1 4.46Å; L590-L599 HydrophobicContact CD1-CD2 3.61Å; L590-L599 HydrophobicContact CD1-CG 4.14Å; L590-V608 HydrophobicContact CD1-CG1 4.49Å; L590-V608 HydrophobicContact CD1-CG2 3.94Å; L590-V608 HydrophobicContact CD2-CG1 3.88Å
591N88Confident89.6Confident38 Ų3850.8 Ų50.820%0.20326%0.255CS..EExtended strand (participates in β ladder)trans-80.5147.5168.7-61.7-11.3000110S560 D562 N593 E594 C595S560-N591 CarbonylContact O-C 3.55Å; S560-N591 VanDerWaalsContact O-CA 3.29Å; S560-N591 WeakPolarHBondContact O-CA 3.45Å; S560-N591 PolarHBondContact OG-OD1 3.42Å; D562-N591 WeakPolarHBondContact CA-ND2 3.37Å; D562-N591 WeakPolarHBondContact OD1-CB 3.31Å; D562-N591 PolarHBondContact OD1-ND2 3.35Å; N591-N593 PolarHBondContact O-N 3.38Å; N591-E594 HydrophobicContact CB-CB 4.38Å; N591-E594 HydrophobicContact CB-CG 4Å; N591-E594 PolarHBondContact N-OE2 3.11Å; N591-E594 WeakPolarHBondContact O-CB 3.26Å; N591-E594 PolarHBondContact O-N 3.17Å; N591-C595 PolarHBondContact O-N 3.37Å; N591-C595 PolarHBondContact O-SG 2.89Å
592L88.8Confident89.8Confident3 Ų353.8 Ų53.82%0.01627%0.273CS..G310 helixtrans-55.9-40.1-179.8-174.261.6000111.8I559 S560 E594 C595 T622 Q628 F629 V634I559-L592 HydrophobicContact CG2-CB 4.42Å; I559-L592 HydrophobicContact CG2-CD1 4.02Å; S560-L592 PolarHBondContact O-N 2.91Å; L592-E594 VanDerWaalsContact C-N 3.29Å; L592-E594 PolarHBondContact O-N 3.07Å; L592-C595 VanDerWaalsContact O-CB 3.28Å; L592-C595 WeakPolarHBondContact O-CB 3.44Å; L592-C595 PolarHBondContact O-N 2.95Å; L592-T622 HydrophobicContact CB-CG2 3.82Å; L592-T622 HydrophobicContact CD1-CG2 4.36Å; L592-T622 HydrophobicContact CD2-CG2 4.11Å; L592-T622 HydrophobicContact CG-CG2 4.31Å; L592-Q628 HydrophobicContact CD2-CB 4.23Å; L592-Q628 WeakPolarHBondContact CD2-O 3.23Å; L592-F629 HydrophobicContact CD2-CE1 4.47Å; L592-F629 HydrophobicContact CD2-CZ 4.44Å; L592-V634 HydrophobicContact CD1-CG1 4.02Å; L592-V634 HydrophobicContact CD2-CG1 4.05Å; L592-V634 HydrophobicContact CG-CG1 3.61Å
593N86.2Confident90.2Very high37 Ų3757.1 Ų57.120%0.19828%0.28CS..G310 helixtrans-77.4-10.6179.4-63.4-42000114D562 N591 L630D562-N593 PolarHBondContact OD2-ND2 2.96Å; N591-N593 PolarHBondContact O-N 3.38Å; N593-L630 HydrophobicContact CB-CD1 4.27Å; N593-L630 VanDerWaalsContact CG-CD1 3.49Å; N593-L630 WeakPolarHBondContact ND2-CD1 3.47Å; N593-L630 WeakPolarHBondContact OD1-CG 3.47Å
594E89.3Confident90.6Very high60 Ų6056.4 Ų56.428%0.2828%0.283SS..G310 helixtrans-90.9-20.1170.4-66.6-175.5127.400112.8N591 L592 P596 K597 K598N591-E594 HydrophobicContact CB-CB 4.38Å; N591-E594 HydrophobicContact CB-CG 4Å; N591-E594 PolarHBondContact N-OE2 3.11Å; N591-E594 WeakPolarHBondContact O-CB 3.26Å; N591-E594 PolarHBondContact O-N 3.17Å; L592-E594 VanDerWaalsContact C-N 3.29Å; L592-E594 PolarHBondContact O-N 3.07Å; E594-P596 VanDerWaalsContact C-N 3.33Å; E594-K597 PolarHBondContact O-N 2.87Å; E594-K598 HydrophobicContact CB-CD 4.04Å; E594-K598 HydrophobicContact CB-CG 4.39Å; E594-K598 PolarHBondContact O-N 2.75Å; E594-K598 WeakPolarHBondContact OE1-CE 3.45Å; E594-K598 IonicContact OE1-NZ 2.77Å; E594-K598 PolarHBondContact OE1-NZ 3.48Å; E594-K598 IonicContact OE2-NZ 2.9Å; E594-K598 PolarHBondContact OE2-NZ 2.57Å
595C93Very high91Very high1 Ų151.6 Ų51.61%0.00727%0.265CS..Hα-helixtrans-51.3-42.6-179.6-68.10000113.5N591 L592 K597 K598 L599N591-C595 PolarHBondContact O-N 3.37Å; N591-C595 PolarHBondContact O-SG 2.89Å; L592-C595 VanDerWaalsContact O-CB 3.28Å; L592-C595 WeakPolarHBondContact O-CB 3.44Å; L592-C595 PolarHBondContact O-N 2.95Å; C595-K597 PolarHBondContact O-N 2.59Å; C595-K597 VanDerWaalsContact O-N 3.11Å; C595-K598 PolarHBondContact O-N 2.69Å; C595-L599 HydrophobicContact CB-CD1 3.83Å; C595-L599 HydrophobicContact CB-CG 4.28Å; C595-L599 WeakPolarHBondContact O-CB 3.43Å; C595-L599 PolarHBondContact O-N 2.74Å
596P92.8Very high91.4Very high45 Ų4551.7 Ų51.729%0.29227%0.265SS..Hα-helixtrans-61.5-21177.3-19.629000115E594 S633 V634 S637E594-P596 VanDerWaalsContact C-N 3.33Å; P596-S633 WeakPolarHBondContact CG-OG 3.43Å; P596-V634 HydrophobicContact CG-CG2 4.27Å; P596-S637 WeakPolarHBondContact CA-OG 3.28Å; P596-S637 VanDerWaalsContact CG-OG 3.3Å; P596-S637 WeakPolarHBondContact CG-OG 3.32Å
597K91.3Very high91.7Very high184 Ų18450.7 Ų50.780%0.826%0.256SS*.Hα-helixtrans-103.4-25.3-178-65173.9-177.81700112.9E594 C595E594-K597 PolarHBondContact O-N 2.87Å; C595-K597 PolarHBondContact O-N 2.59Å; C595-K597 VanDerWaalsContact O-N 3.11Å
598K93.3Very high91.8Very high62 Ų6249.9 Ų49.927%0.2725%0.252SS..Hα-helixtrans-108.6-22-173.6-65.7-172.8-176.41720114.3L590 E594 C595 V608 H609L590-K598 HydrophobicContact CD2-CB 4.34Å; L590-K598 HydrophobicContact CD2-CD 3.81Å; E594-K598 HydrophobicContact CB-CD 4.04Å; E594-K598 HydrophobicContact CB-CG 4.39Å; E594-K598 PolarHBondContact O-N 2.75Å; E594-K598 WeakPolarHBondContact OE1-CE 3.45Å; E594-K598 IonicContact OE1-NZ 2.77Å; E594-K598 PolarHBondContact OE1-NZ 3.48Å; E594-K598 IonicContact OE2-NZ 2.9Å; E594-K598 PolarHBondContact OE2-NZ 2.57Å; C595-K598 PolarHBondContact O-N 2.69Å; K598-V608 HydrophobicContact CB-CG1 4.5Å; K598-V608 CarbonylContact O-C 3.49Å; K598-V608 WeakPolarHBondContact O-CA 3.41Å; K598-H609 PolarHBondContact O-N 2.82Å
599L94.5Very high91.6Very high8 Ų850.9 Ų50.94%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-98.4135.1-178.9-67.3-178000112.1L590 C595 L606 F607 V608 I641L590-L599 HydrophobicContact CD1-CD1 4.46Å; L590-L599 HydrophobicContact CD1-CD2 3.61Å; L590-L599 HydrophobicContact CD1-CG 4.14Å; C595-L599 HydrophobicContact CB-CD1 3.83Å; C595-L599 HydrophobicContact CB-CG 4.28Å; C595-L599 WeakPolarHBondContact O-CB 3.43Å; C595-L599 PolarHBondContact O-N 2.74Å; L599-L606 HydrophobicContact CB-CD1 4.13Å; L599-L606 HydrophobicContact CD1-CD1 4.32Å; L599-L606 HydrophobicContact CD1-CD2 4.33Å; L599-L606 HydrophobicContact CD2-CD1 4.26Å; L599-L606 HydrophobicContact CD2-CD2 4.35Å; L599-L606 HydrophobicContact CD2-CG 4.16Å; L599-L606 HydrophobicContact CG-CD1 4.49Å; L599-F607 WeakPolarHBondContact CA-O 3.02Å; L599-V608 HydrophobicContact CD2-CG2 3.89Å; L599-I641 HydrophobicContact CD1-CD1 3.65Å; L599-I641 HydrophobicContact CD1-CG1 3.68Å
600V93.9Very high91.1Very high60 Ų6054 Ų5436%0.36428%0.283SS..EExtended strand (participates in β ladder)trans-134.6143.2173.5-176.20000108.8V602 F607 H609V600-V602 HydrophobicContact CG1-CG2 4.24Å; V600-F607 PolarHBondContact N-O 3.36Å; V600-F607 PolarHBondContact O-N 2.82Å; V600-H609 WeakPolarHBondContact CG2-CD2 3.38Å
601S93.1Very high90.4Very high45 Ų4556.6 Ų56.632%0.31531%0.311SS..EExtended strand (participates in β ladder)trans-106.8128.6174.8-175.60000110.5R605S601-R605 CarbonylContact C-O 3.26Å; S601-R605 VanDerWaalsContact CA-O 3.31Å; S601-R605 WeakPolarHBondContact CA-O 3.41Å
602V91.6Very high90.4Very high67 Ų6759.8 Ų59.841%0.40633%0.328SS..EExtended strand (participates in β ladder)trans-133.9122.4176.4-174.50000108.5V600 N604 R605 F607V600-V602 HydrophobicContact CG1-CG2 4.24Å; V602-N604 PolarHBondContact O-N 2.7Å; V602-R605 PolarHBondContact N-O 2.61Å; V602-R605 WeakPolarHBondContact O-CA 3.37Å; V602-R605 WeakPolarHBondContact O-CB 3.37Å; V602-R605 PolarHBondContact O-N 3.24Å; V602-F607 HydrophobicContact CB-CD2 4.21Å; V602-F607 HydrophobicContact CB-CE2 3.96Å; V602-F607 HydrophobicContact CG2-CD2 4.28Å; V602-F607 HydrophobicContact CG2-CE2 4.49Å
603D89.9Confident90.5Very high118 Ų11862 Ų6263%0.63134%0.342SS*.THydrogen-bonded Turntrans52.438.5-174.4-50-42.1000114.1R605 K645D603-R605 PolarHBondContact O-N 3.13Å; D603-R605 IonicContact OD2-NH2 3.96Å; D603-K645 PolarHBondContact O-NZ 3.49Å
604N90.7Very high91.1Very high88 Ų8861.4 Ų61.447%0.47134%0.338SS..THydrogen-bonded Turntrans59.810.9-170.3-58.5-34.4000114.8V602 S644 K645V602-N604 PolarHBondContact O-N 2.7Å; N604-S644 CarbonylContact O-C 3.57Å; N604-S644 WeakPolarHBondContact O-CA 3.49Å; N604-S644 WeakPolarHBondContact O-CB 3.13Å; N604-K645 HydrophobicContact CB-CG 4.26Å; N604-K645 PolarHBondContact O-N 2.89Å
605R94.4Very high91.4Very high83 Ų8358.6 Ų58.631%0.31333%0.325SS..EExtended strand (participates in β ladder)trans-92.1140169.7-63.8177.8-66.8153.4-7.3109.5S601 V602 D603 F607 E614 K645S601-R605 CarbonylContact C-O 3.26Å; S601-R605 VanDerWaalsContact CA-O 3.31Å; S601-R605 WeakPolarHBondContact CA-O 3.41Å; V602-R605 PolarHBondContact N-O 2.61Å; V602-R605 WeakPolarHBondContact O-CA 3.37Å; V602-R605 WeakPolarHBondContact O-CB 3.37Å; V602-R605 PolarHBondContact O-N 3.24Å; D603-R605 PolarHBondContact O-N 3.13Å; D603-R605 IonicContact OD2-NH2 3.96Å; R605-F607 HydrophobicContact CB-CD2 4.44Å; R605-F607 HydrophobicContact CB-CE2 3.58Å; R605-F607 HydrophobicContact CB-CZ 3.94Å; R605-F607 WeakPolarHBondContact O-CD2 3.48Å; R605-E614 HydrophobicContact CB-CG 4.44Å; R605-E614 WeakPolarHBondContact CD-OE1 3.15Å; R605-E614 WeakPolarHBondContact CD-OE2 3.47Å; R605-E614 IonicContact CZ-OE2 2.88Å; R605-E614 IonicContact NE-OE2 2.61Å; R605-E614 IonicContact NH1-OE2 3.36Å; R605-E614 PolarHBondContact NH1-OE2 3.44Å; R605-K645 HydrophobicContact CG-CD 3.95Å
606L95.9Very high91.7Very high3 Ų358.6 Ų58.62%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-96.3130.5-175.7-173.769.2000109.3L599 E614 V615 M640 I641L599-L606 HydrophobicContact CB-CD1 4.13Å; L599-L606 HydrophobicContact CD1-CD1 4.32Å; L599-L606 HydrophobicContact CD1-CD2 4.33Å; L599-L606 HydrophobicContact CD2-CD1 4.26Å; L599-L606 HydrophobicContact CD2-CD2 4.35Å; L599-L606 HydrophobicContact CD2-CG 4.16Å; L599-L606 HydrophobicContact CG-CD1 4.49Å; L606-E614 CarbonylContact O-C 3.59Å; L606-E614 WeakPolarHBondContact O-CA 3.38Å; L606-V615 HydrophobicContact CB-CB 4.22Å; L606-V615 HydrophobicContact CD2-CB 4.04Å; L606-V615 HydrophobicContact CD2-CG1 4.2Å; L606-V615 HydrophobicContact CD2-CG2 4.28Å; L606-V615 HydrophobicContact CG-CB 4.26Å; L606-V615 HydrophobicContact CG-CG2 4.3Å; L606-V615 PolarHBondContact O-N 2.88Å; L606-M640 HydrophobicContact CD1-CG 4.47Å; L606-M640 HydrophobicContact CD1-SD 4.2Å; L606-I641 HydrophobicContact CD2-CB 4.45Å; L606-I641 HydrophobicContact CD2-CG1 3.95Å; L606-I641 HydrophobicContact CD2-CG2 4.37Å
607F96.6Very high91.9Very high26 Ų2656.4 Ų56.411%0.11431%0.31CS..EExtended strand (participates in β ladder)trans-126.8147.5-178.8-64.5-88.4000111.7L599 V600 V602 R605 N612 V613 E614L599-F607 WeakPolarHBondContact CA-O 3.02Å; V600-F607 PolarHBondContact N-O 3.36Å; V600-F607 PolarHBondContact O-N 2.82Å; V602-F607 HydrophobicContact CB-CD2 4.21Å; V602-F607 HydrophobicContact CB-CE2 3.96Å; V602-F607 HydrophobicContact CG2-CD2 4.28Å; V602-F607 HydrophobicContact CG2-CE2 4.49Å; R605-F607 HydrophobicContact CB-CD2 4.44Å; R605-F607 HydrophobicContact CB-CE2 3.58Å; R605-F607 HydrophobicContact CB-CZ 3.94Å; R605-F607 WeakPolarHBondContact O-CD2 3.48Å; F607-N612 WeakPolarHBondContact CD1-O 3.12Å; F607-V613 CarbonylContact C-O 3.52Å; F607-V613 WeakPolarHBondContact CA-O 3.38Å; F607-E614 HydrophobicContact CD1-CB 3.87Å; F607-E614 HydrophobicContact CD1-CG 4.27Å; F607-E614 HydrophobicContact CE1-CB 3.57Å; F607-E614 HydrophobicContact CE1-CG 3.78Å; F607-E614 WeakPolarHBondContact CE1-OE2 3.25Å; F607-E614 HydrophobicContact CZ-CB 4.34Å; F607-E614 HydrophobicContact CZ-CG 4.04Å; F607-E614 WeakPolarHBondContact CZ-OE2 3.05Å
608V93.2Very high92.2Very high14 Ų1447.7 Ų47.79%0.08527%0.273CS..EExtended strand (participates in β ladder)trans-97.9126172.3-172.30000110.7I588 L590 K598 L599 N612 V613 V615I588-V608 HydrophobicContact CD1-CB 4.37Å; I588-V608 HydrophobicContact CD1-CG2 3.53Å; L590-V608 HydrophobicContact CD1-CG1 4.49Å; L590-V608 HydrophobicContact CD1-CG2 3.94Å; L590-V608 HydrophobicContact CD2-CG1 3.88Å; K598-V608 HydrophobicContact CB-CG1 4.5Å; K598-V608 CarbonylContact O-C 3.49Å; K598-V608 WeakPolarHBondContact O-CA 3.41Å; L599-V608 HydrophobicContact CD2-CG2 3.89Å; V608-N612 WeakPolarHBondContact O-CA 3.32Å; V608-N612 PolarHBondContact O-N 3.21Å; V608-V613 HydrophobicContact CB-CB 4.5Å; V608-V613 PolarHBondContact N-O 3.13Å; V608-V613 PolarHBondContact O-N 3.26Å; V608-V615 HydrophobicContact CG2-CG2 3.65Å
609H85.9Confident92.4Very high62 Ų6245 Ų4529%0.28726%0.261SS..THydrogen-bonded Turntrans-111.4144.1173.5-71-92.4000111.4K598 V600 N612K598-H609 PolarHBondContact O-N 2.82Å; V600-H609 WeakPolarHBondContact CG2-CD2 3.38Å; H609-N612 PolarHBondContact CE1-OD1 2.72Å; H609-N612 PolarHBondContact ND1-OD1 3.09Å; H609-N612 VanDerWaalsContact ND1-OD1 3.07Å
610P79.4Confident92.5Very high126 Ų12644.9 Ų44.982%0.81826%0.26SS*.THydrogen-bonded Turncis-69.5153.3-11.931.7-35.5000111.7
611G77.5Confident92.4Very high58 Ų5842.2 Ų42.260%0.59824%0.243SC*.THydrogen-bonded Turntrans125.1-21.6176.100000114.7V613G611-V613 PolarHBondContact O-N 2.99Å
612N87.3Confident92.3Very high106 Ų10640.1 Ų40.157%0.56723%0.229SC*.THydrogen-bonded Turntrans5434-178.4-60.212.9000113.2F607 V608 H609 E614F607-N612 WeakPolarHBondContact CD1-O 3.12Å; V608-N612 WeakPolarHBondContact O-CA 3.32Å; V608-N612 PolarHBondContact O-N 3.21Å; H609-N612 PolarHBondContact CE1-OD1 2.72Å; H609-N612 PolarHBondContact ND1-OD1 3.09Å; H609-N612 VanDerWaalsContact ND1-OD1 3.07Å; N612-E614 PolarHBondContact O-N 3.5Å
613V91.9Very high92.2Very high50 Ų5037.2 Ų37.230%0.30321%0.212SC..EExtended strand (participates in β ladder)trans-77115.8180-176.80000108.7A555 I588 F607 V608 G611A555-V613 HydrophobicContact CB-CG1 3.7Å; I588-V613 HydrophobicContact CD1-CG1 4.47Å; F607-V613 CarbonylContact C-O 3.52Å; F607-V613 WeakPolarHBondContact CA-O 3.38Å; V608-V613 HydrophobicContact CB-CB 4.5Å; V608-V613 PolarHBondContact N-O 3.13Å; V608-V613 PolarHBondContact O-N 3.26Å; G611-V613 PolarHBondContact O-N 2.99Å
614E96.9Very high92Very high24 Ų2433.9 Ų33.911%0.11219%0.191CC..EExtended strand (participates in β ladder)trans-64.9142.9175.8-164.5167.4132.500109.8Y549 A554 A555 R605 L606 F607 N612Y549-E614 WeakPolarHBondContact CE1-OE1 3.46Å; Y549-E614 PolarHBondContact OH-OE1 3.42Å; A554-E614 CarbonylContact C-O 3.56Å; A554-E614 WeakPolarHBondContact CA-O 3.41Å; A554-E614 HydrophobicContact CB-CB 3.94Å; A554-E614 HydrophobicContact CB-CG 4.25Å; A555-E614 PolarHBondContact N-O 2.8Å; R605-E614 HydrophobicContact CB-CG 4.44Å; R605-E614 WeakPolarHBondContact CD-OE1 3.15Å; R605-E614 WeakPolarHBondContact CD-OE2 3.47Å; R605-E614 IonicContact CZ-OE2 2.88Å; R605-E614 IonicContact NE-OE2 2.61Å; R605-E614 IonicContact NH1-OE2 3.36Å; R605-E614 PolarHBondContact NH1-OE2 3.44Å; L606-E614 CarbonylContact O-C 3.59Å; L606-E614 WeakPolarHBondContact O-CA 3.38Å; F607-E614 HydrophobicContact CD1-CB 3.87Å; F607-E614 HydrophobicContact CD1-CG 4.27Å; F607-E614 HydrophobicContact CE1-CB 3.57Å; F607-E614 HydrophobicContact CE1-CG 3.78Å; F607-E614 WeakPolarHBondContact CE1-OE2 3.25Å; F607-E614 HydrophobicContact CZ-CB 4.34Å; F607-E614 HydrophobicContact CZ-CG 4.04Å; F607-E614 WeakPolarHBondContact CZ-OE2 3.05Å; N612-E614 PolarHBondContact O-N 3.5Å
615V97.2Very high91.6Very high1 Ų131 Ų311%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-104.4112.6179.9-179.90000109.4A557 L606 V608 V617 A646A557-V615 HydrophobicContact CB-CG1 3.7Å; A557-V615 HydrophobicContact CB-CG2 4.3Å; L606-V615 HydrophobicContact CB-CB 4.22Å; L606-V615 HydrophobicContact CD2-CB 4.04Å; L606-V615 HydrophobicContact CD2-CG1 4.2Å; L606-V615 HydrophobicContact CD2-CG2 4.28Å; L606-V615 HydrophobicContact CG-CB 4.26Å; L606-V615 HydrophobicContact CG-CG2 4.3Å; L606-V615 PolarHBondContact O-N 2.88Å; V608-V615 HydrophobicContact CG2-CG2 3.65Å; V615-V617 WeakPolarHBondContact CG1-O 3.11Å; V615-A646 HydrophobicContact CG1-CB 4.35Å; V615-A646 WeakPolarHBondContact O-CB 3.23Å
616A97.7Very high91Very high0 Ų029.7 Ų29.70%018%0.177CC..EExtended strand (participates in β ladder)trans-77.4-43.3174.400000111.8Y549 A554 A555 A646 I647Y549-A616 HydrophobicContact CD1-CB 3.46Å; Y549-A616 VanDerWaalsContact CD1-CB 3.46Å; Y549-A616 HydrophobicContact CE1-CB 4.13Å; Y549-A616 HydrophobicContact CG-CB 3.71Å; A554-A616 HydrophobicContact CB-CB 3.79Å; A555-A616 PolarHBondContact O-N 2.84Å; A616-A646 CarbonylContact O-C 3.54Å; A616-A646 WeakPolarHBondContact O-CA 3.26Å; A616-I647 PolarHBondContact O-N 3.13Å
617V98Very high90.3Very high0 Ų036 Ų360%021%0.206CC..EExtended strand (participates in β ladder)trans-133.9127.1-174.6-175.50000110.2L542 A545 W546 A555 I556 A557 V615 I647L542-V617 HydrophobicContact CD2-CG1 3.99Å; A545-V617 HydrophobicContact CB-CG1 4.4Å; A545-V617 HydrophobicContact CB-CG2 3.77Å; W546-V617 HydrophobicContact CB-CG2 4.04Å; A555-V617 PolarHBondContact O-N 2.95Å; I556-V617 HydrophobicContact CB-CB 4.49Å; I556-V617 HydrophobicContact CG1-CB 4.16Å; I556-V617 HydrophobicContact CG1-CG2 4.23Å; I556-V617 HydrophobicContact CG2-CB 4.29Å; A557-V617 PolarHBondContact N-O 2.59Å; V615-V617 WeakPolarHBondContact CG1-O 3.11Å; V617-I647 CarbonylContact C-O 3.28Å; V617-I647 VanDerWaalsContact CA-O 3.23Å; V617-I647 WeakPolarHBondContact CA-O 3.43Å
618A97.6Very high89.6Confident1 Ų135.4 Ų35.41%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-103.9103.3172.300000109.7F620 I641 I647 K648 C649A618-F620 HydrophobicContact CB-CE2 4.33Å; A618-I641 HydrophobicContact CB-CG2 3.85Å; A618-I647 PolarHBondContact N-O 2.88Å; A618-K648 HydrophobicContact CB-CG 4.33Å; A618-K648 CarbonylContact O-C 3.57Å; A618-K648 WeakPolarHBondContact O-CA 3.31Å; A618-C649 PolarHBondContact O-N 3.39Å
619Y97.6Very high89.4Confident4 Ų435.6 Ų35.62%0.01620%0.204CC..EExtended strand (participates in β ladder)trans-99110.8-177.2178.3-143.1000111.2I469 L542 A557 F558 I559 I573 R621 C649I469-Y619 HydrophobicContact CD1-CE2 4.25Å; L542-Y619 HydrophobicContact CD1-CD1 3.67Å; L542-Y619 HydrophobicContact CD1-CE1 3.72Å; L542-Y619 HydrophobicContact CD1-CG 4.14Å; L542-Y619 HydrophobicContact CD2-CD1 4.15Å; L542-Y619 HydrophobicContact CD2-CD2 4.03Å; L542-Y619 HydrophobicContact CD2-CG 3.75Å; A557-Y619 PolarHBondContact O-N 3.46Å; F558-Y619 AromaticContact CD1-CD1 3.61Å; F558-Y619 HydrophobicContact CD1-CD1 3.61Å; F558-Y619 AromaticContact CD1-CE1 3.93Å; F558-Y619 HydrophobicContact CD1-CE1 3.93Å; F558-Y619 HydrophobicContact CD2-CD1 4.24Å; F558-Y619 AromaticContact CE1-CD1 3.47Å; F558-Y619 HydrophobicContact CE1-CD1 3.47Å; F558-Y619 VanDerWaalsContact CE1-CD1 3.47Å; F558-Y619 AromaticContact CE1-CE1 3.48Å; F558-Y619 HydrophobicContact CE1-CE1 3.48Å; F558-Y619 VanDerWaalsContact CE1-CE1 3.48Å; F558-Y619 HydrophobicContact CE2-CD1 4.1Å; F558-Y619 HydrophobicContact CG-CD1 4.01Å; F558-Y619 AromaticContact CZ-CD1 3.73Å; F558-Y619 HydrophobicContact CZ-CD1 3.73Å; F558-Y619 AromaticContact CZ-CE1 3.94Å; F558-Y619 HydrophobicContact CZ-CE1 3.94Å; I559-Y619 PolarHBondContact N-O 2.76Å; I573-Y619 HydrophobicContact CG2-CE1 4.48Å; Y619-R621 HydrophobicContact CD1-CG 4.45Å; Y619-R621 HydrophobicContact CE1-CG 4.09Å; Y619-R621 PolarHBondContact OH-NH1 3.43Å; Y619-C649 HydrophobicContact CD2-CB 3.96Å; Y619-C649 WeakPolarHBondContact CD2-O 3.48Å
620F96.6Very high89Confident7 Ų738.3 Ų38.33%0.03122%0.22CC..EExtended strand (participates in β ladder)trans-85.6117.6-176-72.5-88.7000112.3I559 A618 L638 I641 K648 C649I559-F620 HydrophobicContact CB-CD1 3.99Å; I559-F620 HydrophobicContact CB-CE1 4.21Å; I559-F620 HydrophobicContact CG1-CD1 4.38Å; I559-F620 HydrophobicContact CG1-CE1 4.26Å; I559-F620 HydrophobicContact CG2-CD1 4.08Å; I559-F620 HydrophobicContact CG2-CE1 4.03Å; A618-F620 HydrophobicContact CB-CE2 4.33Å; F620-L638 HydrophobicContact CE1-CD1 3.8Å; F620-L638 HydrophobicContact CZ-CD1 3.59Å; F620-I641 HydrophobicContact CE2-CG2 4.23Å; F620-I641 HydrophobicContact CZ-CD1 4.14Å; F620-I641 HydrophobicContact CZ-CG2 3.97Å; F620-K648 HydrophobicContact CE2-CB 4.31Å; F620-K648 HydrophobicContact CE2-CG 4.1Å; F620-C649 PolarHBondContact N-O 3.2Å
621R92.1Very high89.4Confident3 Ų336.3 Ų36.31%0.01120%0.202CC..SBendtrans-110.522.3165.7-62.5-58.9-61.9-100.8-3112.3S498 S500 F558 I559 D569 H570 Y619S498-R621 VanDerWaalsContact OG-C 3.26Å; S498-R621 VanDerWaalsContact OG-CA 3.29Å; S498-R621 WeakPolarHBondContact OG-CA 3.3Å; S498-R621 PolarHBondContact OG-O 2.71Å; S500-R621 PolarHBondContact OG-NH2 3.05Å; F558-R621 HydrophobicContact CD1-CG 4.5Å; I559-R621 PolarHBondContact O-N 2.97Å; D569-R621 IonicContact OD2-CZ 3.22Å; D569-R621 IonicContact OD2-NH1 3.68Å; D569-R621 PolarHBondContact OD2-NH1 3.49Å; D569-R621 IonicContact OD2-NH2 3.13Å; D569-R621 PolarHBondContact OD2-NH2 2.89Å; H570-R621 PolarHBondContact CD2-NH1 3.34Å; H570-R621 PolarHBondContact CD2-NH2 3.04Å; H570-R621 PolarHBondContact NE2-NE 2.92Å; H570-R621 PolarHBondContact NE2-NH2 3.36Å; Y619-R621 HydrophobicContact CD1-CG 4.45Å; Y619-R621 HydrophobicContact CE1-CG 4.09Å; Y619-R621 PolarHBondContact OH-NH1 3.43Å
622T90.7Very high90.1Very high2 Ų238.1 Ų38.11%0.01220%0.199CC..SBendtrans-160.3178.3-173.5-170.70000109.1I559 E561 L592I559-T622 HydrophobicContact CB-CG2 4.38Å; I559-T622 HydrophobicContact CG2-CG2 3.81Å; I559-T622 WeakPolarHBondContact O-CG2 3.47Å; E561-T622 WeakPolarHBondContact CG-OG1 3.48Å; L592-T622 HydrophobicContact CB-CG2 3.82Å; L592-T622 HydrophobicContact CD1-CG2 4.36Å; L592-T622 HydrophobicContact CD2-CG2 4.11Å; L592-T622 HydrophobicContact CG-CG2 4.31Å
623G88.4Confident90.4Very high5 Ų535.4 Ų35.45%0.05219%0.188CC..  trans8216.917700000114.8H655G623-H655 PolarHBondContact O-CE1 2.99Å; G623-H655 VanDerWaalsContact O-CE1 3.3Å
624Y86.1Confident90.4Very high48 Ų4833.1 Ų33.119%0.18817%0.174CC..SBendtrans-105.20.2-177.160.1-87.7000113.2E561 E723E561-Y624 WeakPolarHBondContact OE1-CE1 3.34Å; E561-Y624 VanDerWaalsContact OE1-CZ 3.3Å; E561-Y624 PolarHBondContact OE1-OH 3.24Å; Y624-E723 HydrophobicContact CD2-CB 4.4Å
625L82.3Confident90.3Very high29 Ų2933.4 Ų33.415%0.15217%0.174CC..SBendtrans-134.9144.6174.5-70.6171.6000111.5H627 Q628 L722 E723L625-H627 VanDerWaalsContact C-N 3.33Å; L625-H627 PolarHBondContact O-N 3.23Å; L625-Q628 HydrophobicContact CB-CG 4.25Å; L625-Q628 WeakPolarHBondContact O-CB 3.24Å; L625-Q628 PolarHBondContact O-N 3.41Å; L625-Q628 VanDerWaalsContact O-N 3.13Å; L625-L722 HydrophobicContact CD2-CB 4.42Å; L625-E723 WeakPolarHBondContact CD2-O 3.25Å
626P83.3Confident90.2Very high54 Ų5438.2 Ų38.235%0.35120%0.199SC..G310 helixtrans-57-40.5-174.9-24.730.2000114.5F444 Q628 F629 L722F444-P626 HydrophobicContact CB-CB 4.4Å; F444-P626 HydrophobicContact CB-CG 3.9Å; F444-P626 HydrophobicContact CD1-CG 4.18Å; F444-P626 HydrophobicContact CD2-CB 3.98Å; F444-P626 HydrophobicContact CD2-CG 3.88Å; F444-P626 HydrophobicContact CE2-CG 4.46Å; F444-P626 HydrophobicContact CG-CB 4.27Å; F444-P626 HydrophobicContact CG-CG 3.72Å; P626-Q628 PolarHBondContact O-N 2.98Å; P626-F629 PolarHBondContact O-N 2.96Å; P626-F629 VanDerWaalsContact O-N 3.1Å; P626-L722 HydrophobicContact CG-CD2 3.89Å
627H80.9Confident90Very high135 Ų13538.4 Ų38.463%0.62520%0.201SC*.G310 helixtrans-68.1-6.7-177.170.9-99.4000114.4L625 F629L625-H627 VanDerWaalsContact C-N 3.33Å; L625-H627 PolarHBondContact O-N 3.23Å; H627-F629 VanDerWaalsContact C-N 3.3Å
628Q82Confident89.9Confident15 Ų1539 Ų397%0.0720%0.204CC..G310 helixtrans-81.4-13.5175.2-60.3178.8-38.400112E561 L592 L625 P626E561-Q628 PolarHBondContact OE1-NE2 3.09Å; L592-Q628 HydrophobicContact CD2-CB 4.23Å; L592-Q628 WeakPolarHBondContact CD2-O 3.23Å; L625-Q628 HydrophobicContact CB-CG 4.25Å; L625-Q628 WeakPolarHBondContact O-CB 3.24Å; L625-Q628 PolarHBondContact O-N 3.41Å; L625-Q628 VanDerWaalsContact O-N 3.13Å; P626-Q628 PolarHBondContact O-N 2.98Å
629F87.4Confident89.8Confident17 Ų1741.4 Ų41.48%0.07522%0.216CC..  trans-101.793.7175.7-63.8-97.2000109F444 L592 P626 H627 D631 V634 W635 L638F444-F629 AromaticContact CE2-CD2 3.94Å; F444-F629 HydrophobicContact CE2-CD2 3.94Å; F444-F629 AromaticContact CE2-CE2 3.69Å; F444-F629 HydrophobicContact CE2-CE2 3.69Å; F444-F629 HydrophobicContact CZ-CE2 4.31Å; L592-F629 HydrophobicContact CD2-CE1 4.47Å; L592-F629 HydrophobicContact CD2-CZ 4.44Å; P626-F629 PolarHBondContact O-N 2.96Å; P626-F629 VanDerWaalsContact O-N 3.1Å; H627-F629 VanDerWaalsContact C-N 3.3Å; F629-D631 PolarHBondContact O-N 2.95Å; F629-V634 HydrophobicContact CD1-CB 4.28Å; F629-V634 HydrophobicContact CD1-CG1 3.74Å; F629-V634 HydrophobicContact CE1-CG1 4.29Å; F629-V634 HydrophobicContact CG-CG1 4.44Å; F629-W635 HydrophobicContact CB-CZ2 4.06Å; F629-W635 AromaticContact CD1-CD2 3.6Å; F629-W635 HydrophobicContact CD1-CD2 3.6Å; F629-W635 AromaticContact CD1-CE2 3.6Å; F629-W635 AromaticContact CD1-CE3 3.92Å; F629-W635 HydrophobicContact CD1-CE3 3.92Å; F629-W635 HydrophobicContact CD1-CG 4.04Å; F629-W635 HydrophobicContact CD1-CH2 4.26Å; F629-W635 AromaticContact CD1-CZ2 3.95Å; F629-W635 HydrophobicContact CD1-CZ2 3.95Å; F629-W635 HydrophobicContact CD1-CZ3 4.24Å; F629-W635 AromaticContact CD1-NE1 3.97Å; F629-W635 HydrophobicContact CD2-CH2 4.24Å; F629-W635 AromaticContact CD2-CZ2 3.95Å; F629-W635 HydrophobicContact CD2-CZ2 3.95Å; F629-W635 HydrophobicContact CE1-CD2 4.04Å; F629-W635 AromaticContact CE1-CE3 3.86Å; F629-W635 HydrophobicContact CE1-CE3 3.86Å; F629-W635 HydrophobicContact CE1-CH2 4.25Å; F629-W635 HydrophobicContact CE1-CZ2 4.4Å; F629-W635 AromaticContact CE1-CZ3 3.97Å; F629-W635 HydrophobicContact CE1-CZ3 3.97Å; F629-W635 HydrophobicContact CE2-CH2 4.23Å; F629-W635 HydrophobicContact CE2-CZ2 4.4Å; F629-W635 HydrophobicContact CG-CD2 4.15Å; F629-W635 AromaticContact CG-CE2 3.64Å; F629-W635 HydrophobicContact CG-CH2 4.26Å; F629-W635 AromaticContact CG-CZ2 3.71Å; F629-W635 HydrophobicContact CG-CZ2 3.71Å; F629-W635 AromaticContact CG-NE1 3.89Å; F629-W635 HydrophobicContact CZ-CH2 4.23Å; F629-W635 HydrophobicContact CZ-CZ3 4.18Å; F629-L638 HydrophobicContact CE1-CB 4.39Å; F629-L638 HydrophobicContact CE1-CD2 3.74Å; F629-L638 HydrophobicContact CZ-CD2 3.87Å
630L79.4Confident89.8Confident119 Ų11944.2 Ų44.262%0.62323%0.231SC*.  trans-67.4-34.7-174-61.7-179.1000113.3N593N593-L630 HydrophobicContact CB-CD1 4.27Å; N593-L630 VanDerWaalsContact CG-CD1 3.49Å; N593-L630 WeakPolarHBondContact ND2-CD1 3.47Å; N593-L630 WeakPolarHBondContact OD1-CG 3.47Å
631D87.3Confident89.8Confident84 Ų8444 Ų4445%0.44923%0.229SC..SBendtrans-157175.1-17962.359.2000111.8F629 S633 V634F629-D631 PolarHBondContact O-N 2.95Å; D631-S633 PolarHBondContact O-N 2.89Å; D631-S633 WeakPolarHBondContact OD1-CA 3.41Å; D631-S633 WeakPolarHBondContact OD1-CB 3.25Å; D631-S633 PolarHBondContact OD1-N 2.78Å; D631-S633 PolarHBondContact OD1-OG 3.12Å; D631-V634 WeakPolarHBondContact O-CB 3.4Å; D631-V634 PolarHBondContact O-N 2.89Å
632D91.4Very high90Very high97 Ų9744 Ų4452%0.51923%0.23SC..Hα-helixtrans-63-20.2-179.6-77.8-46.7000114.3K447 V634 W635 N636K447-D632 IonicContact NZ-OD1 3.99Å; D632-V634 VanDerWaalsContact C-N 3.27Å; D632-V634 PolarHBondContact O-N 2.63Å; D632-W635 PolarHBondContact O-N 2.82Å; D632-N636 WeakPolarHBondContact O-CB 3.49Å; D632-N636 VanDerWaalsContact O-CG 3.23Å; D632-N636 PolarHBondContact O-N 3.17Å; D632-N636 PolarHBondContact O-ND2 2.82Å; D632-N636 VanDerWaalsContact O-ND2 3.12Å
633S93.2Very high90.2Very high48 Ų4846.3 Ų46.334%0.33624%0.242SC..Hα-helixtrans-67.5-31.8176.180.30000111.7P596 D631 N636 S637P596-S633 WeakPolarHBondContact CG-OG 3.43Å; D631-S633 PolarHBondContact O-N 2.89Å; D631-S633 WeakPolarHBondContact OD1-CA 3.41Å; D631-S633 WeakPolarHBondContact OD1-CB 3.25Å; D631-S633 PolarHBondContact OD1-N 2.78Å; D631-S633 PolarHBondContact OD1-OG 3.12Å; S633-N636 PolarHBondContact O-N 3.23Å; S633-S637 WeakPolarHBondContact O-CB 3.36Å; S633-S637 PolarHBondContact O-N 2.93Å; S633-S637 PolarHBondContact O-OG 2.81Å
634V93.2Very high90.5Very high2 Ų246 Ų461%0.01224%0.239CC..Hα-helixtrans-69-41.9174.2-171.90000110.6L592 P596 F629 D631 D632 S637 L638L592-V634 HydrophobicContact CD1-CG1 4.02Å; L592-V634 HydrophobicContact CD2-CG1 4.05Å; L592-V634 HydrophobicContact CG-CG1 3.61Å; P596-V634 HydrophobicContact CG-CG2 4.27Å; F629-V634 HydrophobicContact CD1-CB 4.28Å; F629-V634 HydrophobicContact CD1-CG1 3.74Å; F629-V634 HydrophobicContact CE1-CG1 4.29Å; F629-V634 HydrophobicContact CG-CG1 4.44Å; D631-V634 WeakPolarHBondContact O-CB 3.4Å; D631-V634 PolarHBondContact O-N 2.89Å; D632-V634 VanDerWaalsContact C-N 3.27Å; D632-V634 PolarHBondContact O-N 2.63Å; V634-S637 WeakPolarHBondContact O-CB 3.38Å; V634-S637 PolarHBondContact O-N 3.12Å; V634-L638 PolarHBondContact O-N 3.09Å
635W94.7Very high90.9Very high30 Ų3049.1 Ų49.111%0.11425%0.253CS..Hα-helixtrans-62.9-43.9173.2-73.8108.4000112.6F444 K447 L448 I451 F629 D632 S637 L638 L639F444-W635 AromaticContact CD2-CH2 3.67Å; F444-W635 HydrophobicContact CD2-CH2 3.67Å; F444-W635 AromaticContact CD2-CZ2 3.89Å; F444-W635 HydrophobicContact CD2-CZ2 3.89Å; F444-W635 AromaticContact CE2-CH2 3.74Å; F444-W635 HydrophobicContact CE2-CH2 3.74Å; F444-W635 HydrophobicContact CE2-CZ2 4.16Å; K447-W635 HydrophobicContact CB-CD2 4.27Å; K447-W635 HydrophobicContact CB-CE3 3.94Å; K447-W635 HydrophobicContact CB-CH2 3.57Å; K447-W635 HydrophobicContact CB-CZ2 3.93Å; K447-W635 HydrophobicContact CB-CZ3 3.58Å; K447-W635 HydrophobicContact CD-CD2 4.4Å; K447-W635 HydrophobicContact CG-CD2 4.49Å; K447-W635 HydrophobicContact CG-CH2 4.43Å; K447-W635 HydrophobicContact CG-CZ2 4.3Å; L448-W635 HydrophobicContact CD2-CH2 4.44Å; L448-W635 HydrophobicContact CD2-CZ3 4.02Å; L448-W635 HydrophobicContact CG-CH2 4.38Å; L448-W635 HydrophobicContact CG-CZ3 4.29Å; I451-W635 HydrophobicContact CD1-CE3 3.95Å; I451-W635 HydrophobicContact CD1-CZ3 4.31Å; F629-W635 HydrophobicContact CB-CZ2 4.06Å; F629-W635 AromaticContact CD1-CD2 3.6Å; F629-W635 HydrophobicContact CD1-CD2 3.6Å; F629-W635 AromaticContact CD1-CE2 3.6Å; F629-W635 AromaticContact CD1-CE3 3.92Å; F629-W635 HydrophobicContact CD1-CE3 3.92Å; F629-W635 HydrophobicContact CD1-CG 4.04Å; F629-W635 HydrophobicContact CD1-CH2 4.26Å; F629-W635 AromaticContact CD1-CZ2 3.95Å; F629-W635 HydrophobicContact CD1-CZ2 3.95Å; F629-W635 HydrophobicContact CD1-CZ3 4.24Å; F629-W635 AromaticContact CD1-NE1 3.97Å; F629-W635 HydrophobicContact CD2-CH2 4.24Å; F629-W635 AromaticContact CD2-CZ2 3.95Å; F629-W635 HydrophobicContact CD2-CZ2 3.95Å; F629-W635 HydrophobicContact CE1-CD2 4.04Å; F629-W635 AromaticContact CE1-CE3 3.86Å; F629-W635 HydrophobicContact CE1-CE3 3.86Å; F629-W635 HydrophobicContact CE1-CH2 4.25Å; F629-W635 HydrophobicContact CE1-CZ2 4.4Å; F629-W635 AromaticContact CE1-CZ3 3.97Å; F629-W635 HydrophobicContact CE1-CZ3 3.97Å; F629-W635 HydrophobicContact CE2-CH2 4.23Å; F629-W635 HydrophobicContact CE2-CZ2 4.4Å; F629-W635 HydrophobicContact CG-CD2 4.15Å; F629-W635 AromaticContact CG-CE2 3.64Å; F629-W635 HydrophobicContact CG-CH2 4.26Å; F629-W635 AromaticContact CG-CZ2 3.71Å; F629-W635 HydrophobicContact CG-CZ2 3.71Å; F629-W635 AromaticContact CG-NE1 3.89Å; F629-W635 HydrophobicContact CZ-CH2 4.23Å; F629-W635 HydrophobicContact CZ-CZ3 4.18Å; D632-W635 PolarHBondContact O-N 2.82Å; W635-S637 VanDerWaalsContact C-N 3.26Å; W635-S637 PolarHBondContact O-N 3.4Å; W635-L638 HydrophobicContact CE3-CD2 4.31Å; W635-L638 HydrophobicContact CZ3-CD2 4.26Å; W635-L638 PolarHBondContact O-N 3.12Å; W635-L639 PolarHBondContact O-N 2.82Å
636N94.7Very high91.6Very high102 Ų10247.7 Ų47.755%0.54525%0.246SC..Hα-helixtrans-62.1-35174.9-70.7-32.8000112D632 S633 L639 M640D632-N636 WeakPolarHBondContact O-CB 3.49Å; D632-N636 VanDerWaalsContact O-CG 3.23Å; D632-N636 PolarHBondContact O-N 3.17Å; D632-N636 PolarHBondContact O-ND2 2.82Å; D632-N636 VanDerWaalsContact O-ND2 3.12Å; S633-N636 PolarHBondContact O-N 3.23Å; N636-L639 PolarHBondContact O-N 3.4Å; N636-M640 WeakPolarHBondContact O-CB 3.41Å; N636-M640 PolarHBondContact O-N 3.45Å
637S94.1Very high92.3Very high5 Ų545.3 Ų45.34%0.03523%0.231CC..Hα-helixtrans-69-40.5174.5-57.90000112.1P596 S633 V634 W635 M640 I641P596-S637 WeakPolarHBondContact CA-OG 3.28Å; P596-S637 VanDerWaalsContact CG-OG 3.3Å; P596-S637 WeakPolarHBondContact CG-OG 3.32Å; S633-S637 WeakPolarHBondContact O-CB 3.36Å; S633-S637 PolarHBondContact O-N 2.93Å; S633-S637 PolarHBondContact O-OG 2.81Å; V634-S637 WeakPolarHBondContact O-CB 3.38Å; V634-S637 PolarHBondContact O-N 3.12Å; W635-S637 VanDerWaalsContact C-N 3.26Å; W635-S637 PolarHBondContact O-N 3.4Å; S637-M640 WeakPolarHBondContact O-CB 3.43Å; S637-M640 PolarHBondContact O-N 3.3Å; S637-I641 VanDerWaalsContact O-CG1 3.29Å; S637-I641 WeakPolarHBondContact O-CG1 3.42Å; S637-I641 PolarHBondContact O-N 2.92Å
638L95.5Very high93.1Very high12 Ų1239 Ų396%0.06320%0.201CC..Hα-helixtrans-61.9-44.8173179.861.1000111.2L448 I451 F620 F629 V634 W635 M640 I641 E642L448-L638 HydrophobicContact CD2-CD2 4.25Å; I451-L638 HydrophobicContact CD1-CB 4.34Å; I451-L638 HydrophobicContact CD1-CD2 3.84Å; I451-L638 HydrophobicContact CD1-CG 3.98Å; F620-L638 HydrophobicContact CE1-CD1 3.8Å; F620-L638 HydrophobicContact CZ-CD1 3.59Å; F629-L638 HydrophobicContact CE1-CB 4.39Å; F629-L638 HydrophobicContact CE1-CD2 3.74Å; F629-L638 HydrophobicContact CZ-CD2 3.87Å; V634-L638 PolarHBondContact O-N 3.09Å; W635-L638 HydrophobicContact CE3-CD2 4.31Å; W635-L638 HydrophobicContact CZ3-CD2 4.26Å; W635-L638 PolarHBondContact O-N 3.12Å; L638-M640 VanDerWaalsContact C-N 3.33Å; L638-M640 PolarHBondContact O-N 2.87Å; L638-I641 PolarHBondContact O-N 3.22Å; L638-E642 HydrophobicContact CD1-CG 4.15Å; L638-E642 HydrophobicContact CG-CG 4.46Å; L638-E642 WeakPolarHBondContact O-CB 3.26Å; L638-E642 WeakPolarHBondContact O-CG 3.41Å; L638-E642 PolarHBondContact O-N 2.58Å
639L96.4Very high93.8Very high51 Ų5138.3 Ų38.327%0.26720%0.198SC..Hα-helixtrans-59.7-42.1174.2179.462.2000111.7I451 A454 W635 N636 E642 L643I451-L639 HydrophobicContact CB-CD1 4.38Å; I451-L639 HydrophobicContact CD1-CB 4.47Å; I451-L639 HydrophobicContact CG1-CB 4.31Å; I451-L639 HydrophobicContact CG1-CD1 4.18Å; I451-L639 HydrophobicContact CG2-CD1 4Å; A454-L639 HydrophobicContact CB-CD1 3.95Å; W635-L639 PolarHBondContact O-N 2.82Å; N636-L639 PolarHBondContact O-N 3.4Å; L639-E642 PolarHBondContact O-N 3.17Å; L639-L643 HydrophobicContact CD1-CD1 3.74Å; L639-L643 HydrophobicContact CD1-CD2 4.41Å; L639-L643 HydrophobicContact CD1-CG 3.88Å; L639-L643 HydrophobicContact CG-CD1 3.87Å; L639-L643 HydrophobicContact CG-CG 4.35Å; L639-L643 WeakPolarHBondContact O-CB 3.18Å; L639-L643 VanDerWaalsContact O-CG 3.31Å; L639-L643 WeakPolarHBondContact O-CG 3.45Å; L639-L643 PolarHBondContact O-N 2.62Å
640M95.7Very high94.3Very high64 Ų6437.8 Ų37.832%0.31520%0.196SC..Hα-helixtrans-60.8-46.6175.7-171.9-164.5-58.700112.1L606 N636 S637 L638 E642 L643 S644L606-M640 HydrophobicContact CD1-CG 4.47Å; L606-M640 HydrophobicContact CD1-SD 4.2Å; N636-M640 WeakPolarHBondContact O-CB 3.41Å; N636-M640 PolarHBondContact O-N 3.45Å; S637-M640 WeakPolarHBondContact O-CB 3.43Å; S637-M640 PolarHBondContact O-N 3.3Å; L638-M640 VanDerWaalsContact C-N 3.33Å; L638-M640 PolarHBondContact O-N 2.87Å; M640-E642 VanDerWaalsContact C-N 3.33Å; M640-E642 PolarHBondContact O-N 2.99Å; M640-L643 PolarHBondContact O-N 3.02Å; M640-S644 WeakPolarHBondContact O-CB 3.36Å; M640-S644 PolarHBondContact O-N 3.27Å; M640-S644 VanDerWaalsContact O-N 3.15Å
641I96.6Very high95.1Very high1 Ų132.2 Ų32.21%0.00517%0.167CC..Hα-helixtrans-58.8-48.3174.7-65.2161.9000109.5L599 L606 A618 F620 S637 L638 L643 S644 K648L599-I641 HydrophobicContact CD1-CD1 3.65Å; L599-I641 HydrophobicContact CD1-CG1 3.68Å; L606-I641 HydrophobicContact CD2-CB 4.45Å; L606-I641 HydrophobicContact CD2-CG1 3.95Å; L606-I641 HydrophobicContact CD2-CG2 4.37Å; A618-I641 HydrophobicContact CB-CG2 3.85Å; F620-I641 HydrophobicContact CE2-CG2 4.23Å; F620-I641 HydrophobicContact CZ-CD1 4.14Å; F620-I641 HydrophobicContact CZ-CG2 3.97Å; S637-I641 VanDerWaalsContact O-CG1 3.29Å; S637-I641 WeakPolarHBondContact O-CG1 3.42Å; S637-I641 PolarHBondContact O-N 2.92Å; L638-I641 PolarHBondContact O-N 3.22Å; I641-L643 VanDerWaalsContact C-N 3.34Å; I641-L643 PolarHBondContact O-N 3.13Å; I641-S644 WeakPolarHBondContact O-CB 3.45Å; I641-S644 PolarHBondContact O-N 3Å; I641-S644 PolarHBondContact O-OG 3.46Å; I641-K648 HydrophobicContact CG2-CD 4.17Å; I641-K648 HydrophobicContact CG2-CG 3.85Å
642E96.2Very high95.6Very high4 Ų428.4 Ų28.42%0.01915%0.147CC..Hα-helixtrans-70.8-20.4-176.2-76.5-67.3-176.600115I451 V455 R464 L638 L639 M640 K648 W651 V652I451-E642 HydrophobicContact CG2-CB 3.73Å; I451-E642 HydrophobicContact CG2-CG 3.92Å; V455-E642 HydrophobicContact CG2-CB 3.93Å; V455-E642 VanDerWaalsContact CG2-O 3.26Å; V455-E642 WeakPolarHBondContact CG2-O 3.18Å; R464-E642 PolarHBondContact NH2-O 3.26Å; L638-E642 HydrophobicContact CD1-CG 4.15Å; L638-E642 HydrophobicContact CG-CG 4.46Å; L638-E642 WeakPolarHBondContact O-CB 3.26Å; L638-E642 WeakPolarHBondContact O-CG 3.41Å; L638-E642 PolarHBondContact O-N 2.58Å; L639-E642 PolarHBondContact O-N 3.17Å; M640-E642 VanDerWaalsContact C-N 3.33Å; M640-E642 PolarHBondContact O-N 2.99Å; E642-K648 VanDerWaalsContact OE2-CE 3.25Å; E642-K648 WeakPolarHBondContact OE2-CE 3.25Å; E642-W651 VanDerWaalsContact OE1-CA 3.23Å; E642-W651 WeakPolarHBondContact OE1-CA 3.46Å; E642-V652 HydrophobicContact CG-CB 4.38Å; E642-V652 HydrophobicContact CG-CG1 4.37Å; E642-V652 PolarHBondContact OE1-N 3.22Å
643L95.3Very high95.8Very high50 Ų5023.8 Ų23.826%0.26212%0.122SC..Hα-helixtrans-91.4-14.4171.4-65.9175.2000113.2A454 V455 Q458 L639 M640 I641A454-L643 HydrophobicContact CB-CD2 4.34Å; V455-L643 HydrophobicContact CG2-CD2 4.19Å; Q458-L643 HydrophobicContact CG-CD2 3.97Å; Q458-L643 PolarHBondContact NE2-O 3.37Å; Q458-L643 VanDerWaalsContact NE2-O 3.08Å; L639-L643 HydrophobicContact CD1-CD1 3.74Å; L639-L643 HydrophobicContact CD1-CD2 4.41Å; L639-L643 HydrophobicContact CD1-CG 3.88Å; L639-L643 HydrophobicContact CG-CD1 3.87Å; L639-L643 HydrophobicContact CG-CG 4.35Å; L639-L643 WeakPolarHBondContact O-CB 3.18Å; L639-L643 VanDerWaalsContact O-CG 3.31Å; L639-L643 WeakPolarHBondContact O-CG 3.45Å; L639-L643 PolarHBondContact O-N 2.62Å; M640-L643 PolarHBondContact O-N 3.02Å; I641-L643 VanDerWaalsContact C-N 3.34Å; I641-L643 PolarHBondContact O-N 3.13Å
644S95.1Very high96Very high0 Ų021.5 Ų21.50%011%0.106CC..SBendtrans-70.8171.7-179.279.80000113.8R464 N604 M640 I641 A646R464-S644 VanDerWaalsContact CZ-O 3.28Å; R464-S644 PolarHBondContact NH1-O 3.14Å; R464-S644 PolarHBondContact NH2-O 2.82Å; N604-S644 CarbonylContact O-C 3.57Å; N604-S644 WeakPolarHBondContact O-CA 3.49Å; N604-S644 WeakPolarHBondContact O-CB 3.13Å; M640-S644 WeakPolarHBondContact O-CB 3.36Å; M640-S644 PolarHBondContact O-N 3.27Å; M640-S644 VanDerWaalsContact O-N 3.15Å; I641-S644 WeakPolarHBondContact O-CB 3.45Å; I641-S644 PolarHBondContact O-N 3Å; I641-S644 PolarHBondContact O-OG 3.46Å; S644-A646 PolarHBondContact OG-N 3.46Å
645K94.7Very high96.1Very high112 Ų11222.1 Ų22.149%0.48711%0.109SC..SBendtrans-77.4-18.9175.1-73.6174.1177.4161.40113.3Y549 D603 N604 R605Y549-K645 HydrophobicContact CE2-CB 4.21Å; Y549-K645 WeakPolarHBondContact CE2-O 3.5Å; D603-K645 PolarHBondContact O-NZ 3.49Å; N604-K645 HydrophobicContact CB-CG 4.26Å; N604-K645 PolarHBondContact O-N 2.89Å; R605-K645 HydrophobicContact CG-CD 3.95Å
646A96.7Very high96.2Very high0 Ų020.8 Ų20.80%010%0.104CC..SBendtrans-54.1144.5179.300000110.7V615 A616 S644 K648V615-A646 HydrophobicContact CG1-CB 4.35Å; V615-A646 WeakPolarHBondContact O-CB 3.23Å; A616-A646 CarbonylContact O-C 3.54Å; A616-A646 WeakPolarHBondContact O-CA 3.26Å; S644-A646 PolarHBondContact OG-N 3.46Å; A646-K648 VanDerWaalsContact O-CD 3.3Å; A646-K648 WeakPolarHBondContact O-CD 3.09Å; A646-K648 PolarHBondContact O-NZ 3.47Å
647I97.8Very high96.3Very high4 Ų415.9 Ų15.92%0.0218%0.078CC..EExtended strand (participates in β ladder)trans-81.1120.1174.8-65.2167000107.7L465 L467 A545 A548 A616 V617 A618 L787L465-I647 HydrophobicContact CB-CD1 3.93Å; L465-I647 HydrophobicContact CB-CG1 3.99Å; L465-I647 HydrophobicContact CD1-CD1 4.14Å; L467-I647 HydrophobicContact CB-CG2 4.16Å; A545-I647 HydrophobicContact CB-CD1 4.43Å; A545-I647 HydrophobicContact CB-CG2 4Å; A545-I647 VanDerWaalsContact O-CD1 3.26Å; A545-I647 WeakPolarHBondContact O-CD1 3.2Å; A548-I647 HydrophobicContact CB-CD1 4.47Å; A616-I647 PolarHBondContact O-N 3.13Å; V617-I647 CarbonylContact C-O 3.28Å; V617-I647 VanDerWaalsContact CA-O 3.23Å; V617-I647 WeakPolarHBondContact CA-O 3.43Å; A618-I647 PolarHBondContact N-O 2.88Å; I647-L787 HydrophobicContact CG2-CD1 4.26Å
648K97.8Very high96.2Very high1 Ų115.7 Ų15.70%0.0048%0.077CC..EExtended strand (participates in β ladder)trans-89.1146.8178.4-65.264.551.5-162.10109.9R464 L467 A618 F620 I641 E642 A646 P650 W651R464-K648 VanDerWaalsContact CZ-NZ 3.25Å; L467-K648 PolarHBondContact N-O 3.37Å; A618-K648 HydrophobicContact CB-CG 4.33Å; A618-K648 CarbonylContact O-C 3.57Å; A618-K648 WeakPolarHBondContact O-CA 3.31Å; F620-K648 HydrophobicContact CE2-CB 4.31Å; F620-K648 HydrophobicContact CE2-CG 4.1Å; I641-K648 HydrophobicContact CG2-CD 4.17Å; I641-K648 HydrophobicContact CG2-CG 3.85Å; E642-K648 VanDerWaalsContact OE2-CE 3.25Å; E642-K648 WeakPolarHBondContact OE2-CE 3.25Å; A646-K648 VanDerWaalsContact O-CD 3.3Å; A646-K648 WeakPolarHBondContact O-CD 3.09Å; A646-K648 PolarHBondContact O-NZ 3.47Å; K648-P650 VanDerWaalsContact CB-O 3.32Å; K648-P650 WeakPolarHBondContact CB-O 3.14Å; K648-W651 HydrophobicContact CB-CB 3.87Å
649C97.7Very high96.1Very high1 Ų115.5 Ų15.51%0.0078%0.076CC..EExtended strand (participates in β ladder)trans-133.399.5175.5179.60000111.2L467 I469 L542 A618 Y619 F620L467-C649 HydrophobicContact CB-CB 4.07Å; L467-C649 HydrophobicContact CD2-CB 3.92Å; L467-C649 HydrophobicContact CG-CB 4.22Å; L467-C649 WeakPolarHBondContact O-CA 3.04Å; I469-C649 VanDerWaalsContact CD1-SG 3.54Å; I469-C649 VanDerWaalsContact CG1-SG 3.53Å; L542-C649 HydrophobicContact CD2-CB 4.34Å; A618-C649 PolarHBondContact O-N 3.39Å; Y619-C649 HydrophobicContact CD2-CB 3.96Å; Y619-C649 WeakPolarHBondContact CD2-O 3.48Å; F620-C649 PolarHBondContact N-O 3.2Å
650P96.6Very high96Very high6 Ų613.2 Ų13.24%0.0396%0.064CC..THydrogen-bonded Turncis-69166-19.232.3-38.5000112.5N496 I497 K648 F654N496-P650 WeakPolarHBondContact O-CB 3.36Å; N496-P650 VanDerWaalsContact O-CG 3.25Å; N496-P650 WeakPolarHBondContact O-CG 3.48Å; I497-P650 HydrophobicContact CB-CG 3.75Å; I497-P650 HydrophobicContact CD1-CG 4.16Å; I497-P650 HydrophobicContact CG1-CG 3.78Å; K648-P650 VanDerWaalsContact CB-O 3.32Å; K648-P650 WeakPolarHBondContact CB-O 3.14Å; P650-F654 HydrophobicContact CB-CB 3.59Å; P650-F654 HydrophobicContact CB-CD2 4.33Å; P650-F654 HydrophobicContact CB-CG 4.42Å
651W96.7Very high95.9Very high3 Ų310.8 Ų10.81%0.0115%0.051CC..  trans-84.3162.3154.778.8-70.4000110.9A425 F426 Y452 V455 M456 A466 E642 K648 G653 F654 H655A425-W651 HydrophobicContact CB-CZ2 4.04Å; A425-W651 WeakPolarHBondContact O-CZ2 3.46Å; F426-W651 HydrophobicContact CD1-CH2 4.29Å; F426-W651 AromaticContact CD1-CZ2 3.88Å; F426-W651 HydrophobicContact CD1-CZ2 3.88Å; F426-W651 HydrophobicContact CD2-CZ2 4.4Å; F426-W651 HydrophobicContact CE1-CH2 4.34Å; F426-W651 AromaticContact CE1-CZ2 3.85Å; F426-W651 HydrophobicContact CE1-CZ2 3.85Å; F426-W651 HydrophobicContact CE2-CZ2 4.35Å; F426-W651 HydrophobicContact CG-CZ2 4.18Å; F426-W651 HydrophobicContact CZ-CZ2 4.09Å; Y452-W651 AromaticContact CD2-CH2 3.96Å; Y452-W651 HydrophobicContact CD2-CH2 3.96Å; Y452-W651 AromaticContact CD2-CZ3 3.75Å; Y452-W651 HydrophobicContact CD2-CZ3 3.75Å; Y452-W651 AromaticContact CE2-CH2 3.51Å; Y452-W651 HydrophobicContact CE2-CH2 3.51Å; Y452-W651 HydrophobicContact CE2-CZ2 4.38Å; Y452-W651 AromaticContact CE2-CZ3 3.81Å; Y452-W651 HydrophobicContact CE2-CZ3 3.81Å; V455-W651 HydrophobicContact CB-CZ3 4.4Å; V455-W651 HydrophobicContact CG1-CE3 4.08Å; V455-W651 HydrophobicContact CG1-CZ3 3.83Å; M456-W651 HydrophobicContact SD-CH2 3.72Å; M456-W651 HydrophobicContact SD-CZ3 4.23Å; A466-W651 HydrophobicContact CB-CG 4.07Å; E642-W651 VanDerWaalsContact OE1-CA 3.23Å; E642-W651 WeakPolarHBondContact OE1-CA 3.46Å; K648-W651 HydrophobicContact CB-CB 3.87Å; W651-G653 VanDerWaalsContact CE3-N 3.32Å; W651-G653 PolarHBondContact O-N 3.47Å; W651-F654 AromaticContact CD1-CD2 3.2Å; W651-F654 AromaticContact CD1-CE2 3.59Å; W651-F654 AromaticContact CD1-CG 3.96Å; W651-F654 HydrophobicContact CG-CD2 4.39Å; W651-F654 AromaticContact NE1-CD2 3.47Å; W651-F654 AromaticContact NE1-CE2 3.63Å; W651-F654 AromaticContact NE1-CG 3.95Å; W651-F654 WeakPolarHBondContact O-CB 3.43Å; W651-F654 PolarHBondContact O-N 3.16Å; W651-H655 PolarHBondContact O-N 3.01Å
652V96.8Very high95.9Very high3 Ų310.8 Ų10.82%0.0185%0.051CC..Hα-helixtrans-53.1-32.7-174.365.40000114.1L448 I451 Y452 V455 E642 F654 H655 L656L448-V652 HydrophobicContact CB-CG2 4.21Å; L448-V652 HydrophobicContact CD2-CG2 4.19Å; L448-V652 VanDerWaalsContact O-CG2 3.29Å; L448-V652 WeakPolarHBondContact O-CG2 3.46Å; I451-V652 HydrophobicContact CG2-CG1 4.17Å; Y452-V652 HydrophobicContact CD2-CG1 4.33Å; V455-V652 HydrophobicContact CG2-CG1 4.5Å; E642-V652 HydrophobicContact CG-CB 4.38Å; E642-V652 HydrophobicContact CG-CG1 4.37Å; E642-V652 PolarHBondContact OE1-N 3.22Å; V652-F654 PolarHBondContact O-N 3.46Å; V652-H655 WeakPolarHBondContact O-CB 3.27Å; V652-H655 PolarHBondContact O-N 3.25Å; V652-L656 HydrophobicContact CG2-CD1 4.27Å; V652-L656 HydrophobicContact CG2-CG 4.36Å; V652-L656 WeakPolarHBondContact O-CG 3.38Å; V652-L656 PolarHBondContact O-N 3.04Å
653G96.8Very high95.8Very high0 Ų011 Ų110%05%0.052CC..Hα-helixtrans-62.7-38.7174.900000113.7W651 A657W651-G653 VanDerWaalsContact CE3-N 3.32Å; W651-G653 PolarHBondContact O-N 3.47Å; G653-A657 WeakPolarHBondContact O-CB 3.29Å; G653-A657 PolarHBondContact O-N 3.3Å
654F97.1Very high95.8Very high0 Ų08.9 Ų8.90%04%0.041CC..Hα-helixtrans-70.4-35.5173.2-79.6-53000112.4H422 A425 A466 N468 N496 P650 W651 V652 A657 G658H422-F654 HydrophobicContact CB-CE1 4.14Å; H422-F654 HydrophobicContact CB-CZ 4.32Å; H422-F654 AromaticContact ND1-CZ 3.45Å; H422-F654 WeakPolarHBondContact ND1-CZ 3.2Å; A425-F654 HydrophobicContact CB-CD1 3.77Å; A425-F654 HydrophobicContact CB-CE1 4.08Å; A425-F654 HydrophobicContact CB-CG 4.25Å; A466-F654 HydrophobicContact CB-CE2 3.9Å; N468-F654 HydrophobicContact CB-CD1 3.91Å; N468-F654 HydrophobicContact CB-CD2 3.81Å; N468-F654 HydrophobicContact CB-CE1 3.63Å; N468-F654 HydrophobicContact CB-CE2 3.63Å; N468-F654 HydrophobicContact CB-CG 4.02Å; N468-F654 HydrophobicContact CB-CZ 3.55Å; N496-F654 HydrophobicContact CB-CB 4.33Å; N496-F654 VanDerWaalsContact CB-O 3.28Å; N496-F654 WeakPolarHBondContact CB-O 3.4Å; N496-F654 PolarHBondContact ND2-O 3.47Å; P650-F654 HydrophobicContact CB-CB 3.59Å; P650-F654 HydrophobicContact CB-CD2 4.33Å; P650-F654 HydrophobicContact CB-CG 4.42Å; W651-F654 AromaticContact CD1-CD2 3.2Å; W651-F654 AromaticContact CD1-CE2 3.59Å; W651-F654 AromaticContact CD1-CG 3.96Å; W651-F654 HydrophobicContact CG-CD2 4.39Å; W651-F654 AromaticContact NE1-CD2 3.47Å; W651-F654 AromaticContact NE1-CE2 3.63Å; W651-F654 AromaticContact NE1-CG 3.95Å; W651-F654 WeakPolarHBondContact O-CB 3.43Å; W651-F654 PolarHBondContact O-N 3.16Å; V652-F654 PolarHBondContact O-N 3.46Å; F654-A657 PolarHBondContact O-N 3.31Å; F654-G658 PolarHBondContact O-N 3.14Å
655H95.5Very high95.8Very high16 Ų169.9 Ų9.97%0.0745%0.046CC..Hα-helixtrans-62.3-51.4175.2-174-173.1000110.2L448 I497 G623 W651 V652 A657 G658L448-H655 VanDerWaalsContact CD1-CE1 3.49Å; L448-H655 WeakPolarHBondContact CD1-CE1 3.09Å; I497-H655 HydrophobicContact CD1-CB 4.42Å; G623-H655 PolarHBondContact O-CE1 2.99Å; G623-H655 VanDerWaalsContact O-CE1 3.3Å; W651-H655 PolarHBondContact O-N 3.01Å; V652-H655 WeakPolarHBondContact O-CB 3.27Å; V652-H655 PolarHBondContact O-N 3.25Å; H655-A657 PolarHBondContact O-N 3.12Å; H655-G658 PolarHBondContact O-N 3.35Å; H655-G658 VanDerWaalsContact O-N 3.09Å
656L96.5Very high95.9Very high1 Ų14.9 Ų4.91%0.0053%0.025CC..Hα-helixtrans-63.1-38.6175.3-69.4174.4000112.6M431 L435 T445 L448 F449 Y452 V652 G658 T659M431-L656 HydrophobicContact CE-CB 3.41Å; M431-L656 VanDerWaalsContact CE-CB 3.41Å; L435-L656 HydrophobicContact CD1-CB 4.06Å; L435-L656 HydrophobicContact CD1-CD2 4.01Å; L435-L656 HydrophobicContact CD1-CG 4.47Å; T445-L656 HydrophobicContact CG2-CD2 3.99Å; L448-L656 HydrophobicContact CB-CD2 3.72Å; L448-L656 HydrophobicContact CB-CG 4.31Å; L448-L656 HydrophobicContact CD1-CD2 4.47Å; F449-L656 HydrophobicContact CD2-CD1 4.05Å; Y452-L656 VanDerWaalsContact CB-CD1 3.44Å; Y452-L656 HydrophobicContact CD1-CD1 4.11Å; Y452-L656 HydrophobicContact CD2-CD1 4.16Å; Y452-L656 HydrophobicContact CG-CD1 3.66Å; V652-L656 HydrophobicContact CG2-CD1 4.27Å; V652-L656 HydrophobicContact CG2-CG 4.36Å; V652-L656 WeakPolarHBondContact O-CG 3.38Å; V652-L656 PolarHBondContact O-N 3.04Å; L656-G658 PolarHBondContact O-N 3.09Å; L656-T659 WeakPolarHBondContact O-CB 3.46Å; L656-T659 WeakPolarHBondContact O-CG2 3.05Å; L656-T659 PolarHBondContact O-N 3.19Å; L656-T659 VanDerWaalsContact O-N 3.16Å; L656-T659 PolarHBondContact O-OG1 2.66Å
657A96.2Very high95.7Very high0 Ų06.1 Ų6.10%04%0.038CC..Hα-helixtrans-62.8-28.1174.900000112.4Y421 V424 A425 G653 F654 H655 T659 V662Y421-A657 HydrophobicContact CD1-CB 4.08Å; Y421-A657 WeakPolarHBondContact CE1-O 3.2Å; V424-A657 HydrophobicContact CG1-CB 3.94Å; A425-A657 HydrophobicContact CB-CB 4.32Å; G653-A657 WeakPolarHBondContact O-CB 3.29Å; G653-A657 PolarHBondContact O-N 3.3Å; F654-A657 PolarHBondContact O-N 3.31Å; H655-A657 PolarHBondContact O-N 3.12Å; A657-T659 VanDerWaalsContact C-N 3.26Å; A657-T659 PolarHBondContact O-N 3.1Å; A657-V662 WeakPolarHBondContact O-CB 3.37Å; A657-V662 WeakPolarHBondContact O-CG1 3.32Å
658G92.8Very high95.4Very high1 Ų110.1 Ų10.11%0.016%0.055CC..THydrogen-bonded Turntrans-69.9-16.6175.900000114.9N496 F654 H655 L656N496-G658 PolarHBondContact ND2-N 2.88Å; F654-G658 PolarHBondContact O-N 3.14Å; H655-G658 PolarHBondContact O-N 3.35Å; H655-G658 VanDerWaalsContact O-N 3.09Å; L656-G658 PolarHBondContact O-N 3.09Å
659T94.1Very high95.2Very high8 Ų812.7 Ų12.75%0.0497%0.072CC..SBendtrans-55146.3-178.258.50000112.5L656 A657 K661 V662 Q663L656-T659 WeakPolarHBondContact O-CB 3.46Å; L656-T659 WeakPolarHBondContact O-CG2 3.05Å; L656-T659 PolarHBondContact O-N 3.19Å; L656-T659 VanDerWaalsContact O-N 3.16Å; L656-T659 PolarHBondContact O-OG1 2.66Å; A657-T659 VanDerWaalsContact C-N 3.26Å; A657-T659 PolarHBondContact O-N 3.1Å; T659-K661 PolarHBondContact O-N 3.08Å; T659-V662 PolarHBondContact O-N 2.83Å; T659-V662 VanDerWaalsContact O-N 3.09Å; T659-V662 WeakPolarHBondContact OG1-CG2 3.5Å; T659-Q663 PolarHBondContact O-N 2.93Å
660K93Very high95Very high2 Ų218 Ų181%0.00910%0.096CC..Hα-helixtrans-66.2-25.3-176.3-43.8-51.8169.5-173.20111.1E493 Q663 Q664 K719 P720 Q721 E723 I750E493-K660 IonicContact OE2-NZ 2.72Å; E493-K660 PolarHBondContact OE2-NZ 3.03Å; K660-Q663 PolarHBondContact O-N 3.37Å; K660-Q664 WeakPolarHBondContact O-CB 3.4Å; K660-Q664 PolarHBondContact O-N 2.94Å; K660-K719 HydrophobicContact CG-CB 4.46Å; K660-P720 WeakPolarHBondContact CG-O 3.43Å; K660-Q721 VanDerWaalsContact N-OE1 3.13Å; K660-E723 VanDerWaalsContact NZ-CD 3.32Å; K660-E723 IonicContact NZ-OE1 3.1Å; K660-E723 PolarHBondContact NZ-OE1 2.83Å; K660-E723 IonicContact NZ-OE2 3.5Å; K660-E723 PolarHBondContact NZ-OE2 2.78Å; K660-I750 HydrophobicContact CB-CD1 3.82Å; K660-I750 HydrophobicContact CB-CG1 3.86Å
661K94.8Very high94.9Very high14 Ų1419.3 Ų19.36%0.06110%0.103CC..Hα-helixtrans-63.1-46.8170.8-178.658.3-178.6169.30112.7A434 L435 V438 T659 Q664 L665 E696 I750A434-K661 WeakPolarHBondContact O-CE 3.45Å; A434-K661 WeakPolarHBondContact O-CG 3.48Å; L435-K661 HydrophobicContact CD2-CB 4.02Å; L435-K661 HydrophobicContact CD2-CG 4.03Å; V438-K661 HydrophobicContact CG2-CB 4.05Å; V438-K661 HydrophobicContact CG2-CG 3.89Å; T659-K661 PolarHBondContact O-N 3.08Å; K661-Q664 WeakPolarHBondContact O-CB 3.4Å; K661-Q664 PolarHBondContact O-N 2.85Å; K661-L665 PolarHBondContact O-N 3.49Å; K661-L665 VanDerWaalsContact O-N 3.11Å; K661-E696 IonicContact NZ-OE1 3.46Å; K661-E696 PolarHBondContact NZ-OE1 3.34Å; K661-I750 HydrophobicContact CD-CG2 4.42Å
662V95.9Very high94.8Very high0 Ų019.2 Ų19.20%010%0.103CC..Hα-helixtrans-64.4-44174.8170.40000110.3V424 F430 M431 A434 L435 A657 T659 Q664 L665 L666V424-V662 HydrophobicContact CG1-CG1 3.78Å; F430-V662 HydrophobicContact CE1-CG1 4.35Å; M431-V662 HydrophobicContact CE-CG2 4.17Å; M431-V662 HydrophobicContact SD-CG2 4.01Å; A434-V662 HydrophobicContact CB-CG2 4.46Å; L435-V662 HydrophobicContact CD2-CG2 4.19Å; L435-V662 HydrophobicContact CG-CG2 4.45Å; A657-V662 WeakPolarHBondContact O-CB 3.37Å; A657-V662 WeakPolarHBondContact O-CG1 3.32Å; T659-V662 PolarHBondContact O-N 2.83Å; T659-V662 VanDerWaalsContact O-N 3.09Å; T659-V662 WeakPolarHBondContact OG1-CG2 3.5Å; V662-Q664 VanDerWaalsContact C-N 3.29Å; V662-Q664 PolarHBondContact O-N 2.81Å; V662-L665 PolarHBondContact O-N 3.1Å; V662-L665 VanDerWaalsContact O-N 3.16Å; V662-L666 HydrophobicContact CG1-CD1 3.72Å; V662-L666 HydrophobicContact CG1-CG 4.16Å; V662-L666 VanDerWaalsContact O-CG 3.31Å; V662-L666 WeakPolarHBondContact O-CG 3.21Å; V662-L666 PolarHBondContact O-N 2.66Å
663Q94.7Very high94.8Very high9 Ų925.6 Ų25.64%0.04213%0.127CC..Hα-helixtrans-56.1-41.6174.3-166.1-173.612.900112.4T659 K660 L666 G667 M692T659-Q663 PolarHBondContact O-N 2.93Å; K660-Q663 PolarHBondContact O-N 3.37Å; Q663-L666 PolarHBondContact O-N 2.8Å; Q663-G667 PolarHBondContact O-N 2.85Å; Q663-G667 VanDerWaalsContact O-N 3.15Å; Q663-M692 HydrophobicContact CG-CE 4.15Å; Q663-M692 HydrophobicContact CG-SD 4.19Å
664Q95.1Very high94.7Very high5 Ų531.5 Ų31.52%0.02315%0.149CC..Hα-helixtrans-63.4-41.3177.2177.3-86.6-5600112.8K660 K661 V662 G667 M692 I750K660-Q664 WeakPolarHBondContact O-CB 3.4Å; K660-Q664 PolarHBondContact O-N 2.94Å; K661-Q664 WeakPolarHBondContact O-CB 3.4Å; K661-Q664 PolarHBondContact O-N 2.85Å; V662-Q664 VanDerWaalsContact C-N 3.29Å; V662-Q664 PolarHBondContact O-N 2.81Å; Q664-G667 PolarHBondContact O-N 2.95Å; Q664-M692 HydrophobicContact CB-CB 3.94Å; Q664-M692 HydrophobicContact CB-SD 4.38Å; Q664-M692 HydrophobicContact CG-CB 3.72Å; Q664-I750 HydrophobicContact CB-CB 4.45Å; Q664-I750 HydrophobicContact CB-CD1 4.23Å; Q664-I750 HydrophobicContact CB-CG2 3.87Å; Q664-I750 HydrophobicContact CG-CG2 4.13Å
665L95.6Very high94.6Very high22 Ų2232 Ų3212%0.11515%0.151CC..Hα-helixtrans-70.9-39.7177.6-68.7172.6000112F430 A434 K661 V662 G667 K668 N671F430-L665 HydrophobicContact CZ-CB 4.23Å; F430-L665 HydrophobicContact CZ-CD1 4.48Å; A434-L665 HydrophobicContact CB-CD1 3.43Å; A434-L665 VanDerWaalsContact CB-CD1 3.43Å; K661-L665 PolarHBondContact O-N 3.49Å; K661-L665 VanDerWaalsContact O-N 3.11Å; V662-L665 PolarHBondContact O-N 3.1Å; V662-L665 VanDerWaalsContact O-N 3.16Å; L665-G667 PolarHBondContact O-N 3.06Å; L665-K668 PolarHBondContact O-N 3.42Å; L665-N671 WeakPolarHBondContact O-CB 3.49Å; L665-N671 PolarHBondContact O-ND2 2.82Å
666L95.6Very high94.5Very high7 Ų731.8 Ų31.84%0.03715%0.151CC..Hα-helixtrans-68.5-11.5175.1-64.3177.1000113.4L420 Y421 V424 F430 V662 Q663 K668 L672 F675L420-L666 HydrophobicContact CD1-CD2 4.13Å; L420-L666 HydrophobicContact CD2-CD1 4.11Å; L420-L666 HydrophobicContact CG-CD1 4.23Å; Y421-L666 HydrophobicContact CE2-CD1 4.35Å; V424-L666 HydrophobicContact CG2-CD1 4.02Å; V424-L666 HydrophobicContact CG2-CD2 3.95Å; F430-L666 HydrophobicContact CZ-CD2 4.18Å; V662-L666 HydrophobicContact CG1-CD1 3.72Å; V662-L666 HydrophobicContact CG1-CG 4.16Å; V662-L666 VanDerWaalsContact O-CG 3.31Å; V662-L666 WeakPolarHBondContact O-CG 3.21Å; V662-L666 PolarHBondContact O-N 2.66Å; Q663-L666 PolarHBondContact O-N 2.8Å; L666-K668 PolarHBondContact O-N 3.43Å; L666-L672 HydrophobicContact CB-CD2 4.34Å; L666-L672 HydrophobicContact CD2-CD2 4.39Å; L666-L672 WeakPolarHBondContact O-CD1 3.08Å; L666-L672 WeakPolarHBondContact O-CD2 3.08Å; L666-L672 VanDerWaalsContact O-CG 3.26Å; L666-L672 WeakPolarHBondContact O-CG 3.08Å; L666-F675 HydrophobicContact CD2-CD2 3.96Å; L666-F675 HydrophobicContact CD2-CE2 4.01Å
667G92.3Very high94.2Very high26 Ų2641.8 Ų41.827%0.26819%0.194SC..THydrogen-bonded Turntrans-70.2-6.5166.900000114.6Q663 Q664 L665 L686Q663-G667 PolarHBondContact O-N 2.85Å; Q663-G667 VanDerWaalsContact O-N 3.15Å; Q664-G667 PolarHBondContact O-N 2.95Å; L665-G667 PolarHBondContact O-N 3.06Å; G667-L686 WeakPolarHBondContact O-CD2 3.4Å
668K92.7Very high94Very high88 Ų8848 Ų4838%0.38322%0.223SC..SBendtrans-103.9134.3179.5-53.3-165.4-177.1-177.60112.5L665 L666 E670 N671 L672L665-K668 PolarHBondContact O-N 3.42Å; L666-K668 PolarHBondContact O-N 3.43Å; K668-E670 VanDerWaalsContact C-N 3.31Å; K668-E670 WeakPolarHBondContact CB-OE1 3.33Å; K668-E670 WeakPolarHBondContact CB-OE2 3.46Å; K668-E670 WeakPolarHBondContact CD-OE1 3.47Å; K668-E670 PolarHBondContact O-N 3.31Å; K668-N671 PolarHBondContact O-N 2.91Å; K668-L672 PolarHBondContact O-N 3.23Å
669P92.8Very high94.1Very high55 Ų5551.4 Ų51.436%0.35724%0.238SC..Hα-helixtrans-57.5-37.7-176-2331.1000114.6N671 L672 R673 L686P669-N671 VanDerWaalsContact C-N 3.35Å; P669-N671 PolarHBondContact O-N 3.05Å; P669-L672 PolarHBondContact O-N 3Å; P669-R673 WeakPolarHBondContact O-CG 3.4Å; P669-R673 PolarHBondContact O-N 3.36Å; P669-L686 HydrophobicContact CB-CD1 4.13Å; P669-L686 HydrophobicContact CG-CD1 3.82Å; P669-L686 HydrophobicContact CG-CD2 4.35Å
670E93Very high94Very high111 Ų11157.5 Ų57.552%0.51927%0.267SS..Hα-helixtrans-64.2-36.9-178.764.6-81.2-168.600112.7K668 R673K668-E670 VanDerWaalsContact C-N 3.31Å; K668-E670 WeakPolarHBondContact CB-OE1 3.33Å; K668-E670 WeakPolarHBondContact CB-OE2 3.46Å; K668-E670 WeakPolarHBondContact CD-OE1 3.47Å; K668-E670 PolarHBondContact O-N 3.31Å; E670-R673 PolarHBondContact O-N 3.32Å
671N94.7Very high94Very high35 Ų3557.6 Ų57.619%0.18727%0.268CS..Hα-helixtrans-73.2-38.7175.7-68.3-37.9000111.2F430 L665 K668 P669 R673 R674 F675F430-N671 HydrophobicContact CE2-CB 4.33Å; L665-N671 WeakPolarHBondContact O-CB 3.49Å; L665-N671 PolarHBondContact O-ND2 2.82Å; K668-N671 PolarHBondContact O-N 2.91Å; P669-N671 VanDerWaalsContact C-N 3.35Å; P669-N671 PolarHBondContact O-N 3.05Å; N671-R673 VanDerWaalsContact C-N 3.27Å; N671-R673 PolarHBondContact O-N 3.34Å; N671-R674 WeakPolarHBondContact O-CB 3.48Å; N671-R674 PolarHBondContact O-N 3.36Å; N671-R674 VanDerWaalsContact O-N 3.14Å; N671-F675 VanDerWaalsContact O-CD2 3.26Å; N671-F675 WeakPolarHBondContact O-CD2 3.42Å
672L95.4Very high93.9Very high0 Ų057 Ų570%027%0.265CS..Hα-helixtrans-61.7-35.3175.1-69.1174.4000112.3L420 L666 K668 P669 R674 F675 L676 I682 I685 L686L420-L672 HydrophobicContact CD1-CD2 4.03Å; L420-L672 HydrophobicContact CD2-CD2 3.52Å; L420-L672 HydrophobicContact CG-CD2 4.45Å; L666-L672 HydrophobicContact CB-CD2 4.34Å; L666-L672 HydrophobicContact CD2-CD2 4.39Å; L666-L672 WeakPolarHBondContact O-CD1 3.08Å; L666-L672 WeakPolarHBondContact O-CD2 3.08Å; L666-L672 VanDerWaalsContact O-CG 3.26Å; L666-L672 WeakPolarHBondContact O-CG 3.08Å; K668-L672 PolarHBondContact O-N 3.23Å; P669-L672 PolarHBondContact O-N 3Å; L672-R674 PolarHBondContact O-N 3.49Å; L672-F675 PolarHBondContact O-N 3.01Å; L672-F675 VanDerWaalsContact O-N 3.07Å; L672-L676 PolarHBondContact O-N 2.87Å; L672-I682 HydrophobicContact CB-CG1 4.2Å; L672-I682 HydrophobicContact CB-CG2 4.05Å; L672-I682 HydrophobicContact CD1-CG2 3.93Å; L672-I685 HydrophobicContact CD1-CG2 4.15Å; L672-I685 HydrophobicContact CD2-CG2 4.24Å; L672-L686 HydrophobicContact CD1-CD1 4.36Å; L672-L686 HydrophobicContact CD1-CD2 3.67Å; L672-L686 HydrophobicContact CD1-CG 3.7Å
673R95.8Very high93.9Very high138 Ų13860.9 Ų60.952%0.52129%0.286SS..Hα-helixtrans-63.5-23175.8-72.3177.8-168.5-63.5-6.1114.1P669 E670 N671 F675 I682P669-R673 WeakPolarHBondContact O-CG 3.4Å; P669-R673 PolarHBondContact O-N 3.36Å; E670-R673 PolarHBondContact O-N 3.32Å; N671-R673 VanDerWaalsContact C-N 3.27Å; N671-R673 PolarHBondContact O-N 3.34Å; R673-F675 VanDerWaalsContact C-N 3.28Å; R673-I682 HydrophobicContact CG-CD1 3.81Å
674R95.3Very high93.8Very high123 Ų12364.7 Ų64.746%0.46430%0.3SS..Hα-helixtrans-66.6-31.9172.7-173.8169.3173.6113.4-1.9111.6D427 E429 N671 L672D427-R674 VanDerWaalsContact CG-NH2 3.32Å; D427-R674 IonicContact OD1-CZ 3.74Å; D427-R674 IonicContact OD1-NE 3.22Å; D427-R674 IonicContact OD1-NH2 2.69Å; D427-R674 PolarHBondContact OD1-NH2 2.85Å; D427-R674 IonicContact OD2-CZ 3.92Å; D427-R674 VanDerWaalsContact OD2-CZ 3.28Å; D427-R674 IonicContact OD2-NE 3.66Å; D427-R674 PolarHBondContact OD2-NE 3.39Å; D427-R674 IonicContact OD2-NH2 2.79Å; D427-R674 PolarHBondContact OD2-NH2 3.14Å; E429-R674 IonicContact OE2-CZ 3.83Å; E429-R674 IonicContact OE2-NH1 2.34Å; E429-R674 IonicContact OE2-NH2 3.16Å; E429-R674 PolarHBondContact OE2-NH2 3.35Å; N671-R674 WeakPolarHBondContact O-CB 3.48Å; N671-R674 PolarHBondContact O-N 3.36Å; N671-R674 VanDerWaalsContact O-N 3.14Å; L672-R674 PolarHBondContact O-N 3.49Å
675F95.2Very high93.8Very high11 Ų1164.7 Ų64.75%0.04830%0.3CS..Hα-helixtrans-109.7-24.7-171.8-57.1-64.7000114.7L420 R423 V424 D427 F430 L666 N671 L672 R673L420-F675 HydrophobicContact CD1-CB 3.5Å; L420-F675 VanDerWaalsContact CD1-CB 3.5Å; L420-F675 HydrophobicContact CD1-CD2 3.98Å; L420-F675 HydrophobicContact CD1-CG 3.98Å; R423-F675 HydrophobicContact CB-CB 4.28Å; R423-F675 HydrophobicContact CB-CD1 3.81Å; R423-F675 HydrophobicContact CB-CG 4.44Å; R423-F675 WeakPolarHBondContact CD-O 3.47Å; R423-F675 PolarHBondContact NH1-O 3.2Å; V424-F675 HydrophobicContact CB-CE1 4.49Å; V424-F675 HydrophobicContact CB-CZ 4.45Å; V424-F675 HydrophobicContact CG2-CD1 4Å; V424-F675 HydrophobicContact CG2-CD2 3.65Å; V424-F675 HydrophobicContact CG2-CE1 3.94Å; V424-F675 HydrophobicContact CG2-CE2 3.6Å; V424-F675 HydrophobicContact CG2-CG 3.85Å; V424-F675 HydrophobicContact CG2-CZ 3.75Å; D427-F675 HydrophobicContact CB-CE1 3.77Å; D427-F675 HydrophobicContact CB-CZ 4.29Å; D427-F675 WeakPolarHBondContact OD2-CE1 3.31Å; F430-F675 HydrophobicContact CB-CZ 3.89Å; F430-F675 HydrophobicContact CD1-CE2 4.09Å; F430-F675 AromaticContact CD1-CZ 3.66Å; F430-F675 HydrophobicContact CD1-CZ 3.66Å; F430-F675 AromaticContact CD2-CE2 3.98Å; F430-F675 HydrophobicContact CD2-CE2 3.98Å; F430-F675 AromaticContact CD2-CZ 3.88Å; F430-F675 HydrophobicContact CD2-CZ 3.88Å; F430-F675 HydrophobicContact CE1-CE2 4.09Å; F430-F675 HydrophobicContact CE1-CZ 4.13Å; F430-F675 AromaticContact CE2-CE2 3.98Å; F430-F675 HydrophobicContact CE2-CE2 3.98Å; F430-F675 HydrophobicContact CE2-CZ 4.32Å; F430-F675 HydrophobicContact CG-CE2 4.04Å; F430-F675 AromaticContact CG-CZ 3.52Å; F430-F675 HydrophobicContact CG-CZ 3.52Å; F430-F675 HydrophobicContact CZ-CE2 4.03Å; F430-F675 HydrophobicContact CZ-CZ 4.43Å; L666-F675 HydrophobicContact CD2-CD2 3.96Å; L666-F675 HydrophobicContact CD2-CE2 4.01Å; N671-F675 VanDerWaalsContact O-CD2 3.26Å; N671-F675 WeakPolarHBondContact O-CD2 3.42Å; L672-F675 PolarHBondContact O-N 3.01Å; L672-F675 VanDerWaalsContact O-N 3.07Å; R673-F675 VanDerWaalsContact C-N 3.28Å
676L93.6Very high93.8Very high12 Ų1265.8 Ų65.86%0.06331%0.306CS..  trans-126.7130.3-175.1-59.8175.8000110.6L420 L672 I682 I685L420-L676 HydrophobicContact CD1-CD1 4.32Å; L420-L676 HydrophobicContact CD1-CG 4.27Å; L672-L676 PolarHBondContact O-N 2.87Å; L676-I682 HydrophobicContact CB-CD1 4.45Å; L676-I682 HydrophobicContact CB-CG1 3.95Å; L676-I682 HydrophobicContact CD1-CG1 4.45Å; L676-I685 HydrophobicContact CD1-CD1 3.49Å; L676-I685 VanDerWaalsContact CD1-CD1 3.49Å
677K90.5Very high93.7Very high210 Ų21067.9 Ų67.991%0.91332%0.321SS*.  trans-89.1-31.1178.1-64.6-179.1179.61790112.8Q679K677-Q679 PolarHBondContact O-N 3.22Å
678E92.3Very high93.7Very high130 Ų13066.7 Ų66.761%0.60731%0.308SS*.  trans-81112.7-175.6-69.7176-153.900111.4Q680 A681 I682E678-Q680 PolarHBondContact O-N 3.33Å; E678-A681 HydrophobicContact CB-CB 4.03Å; E678-A681 WeakPolarHBondContact O-CB 3.25Å; E678-A681 PolarHBondContact O-N 3.36Å; E678-I682 PolarHBondContact O-N 2.65Å
679Q92.9Very high93.8Very high73 Ų7363.6 Ų63.634%0.34130%0.297SS..Hα-helixtrans-54.5-40.1177.4-173.760.755.100112.1K677 A681 I682 D683K677-Q679 PolarHBondContact O-N 3.22Å; Q679-A681 VanDerWaalsContact C-N 3.3Å; Q679-A681 PolarHBondContact O-N 2.92Å; Q679-I682 WeakPolarHBondContact O-CB 3.5Å; Q679-I682 PolarHBondContact O-N 3.47Å; Q679-I682 VanDerWaalsContact O-N 3.17Å; Q679-D683 PolarHBondContact NE2-OD1 3.25Å; Q679-D683 PolarHBondContact O-N 2.77Å
680Q92.8Very high93.8Very high137 Ų13761.5 Ų61.564%0.6428%0.283SS*.Hα-helixtrans-63-33.9179.3-58.4-175.94.700113.1E678 R684E678-Q680 PolarHBondContact O-N 3.33Å; Q680-R684 WeakPolarHBondContact O-CB 3.44Å; Q680-R684 VanDerWaalsContact O-CG 3.3Å; Q680-R684 WeakPolarHBondContact O-CG 3.39Å; Q680-R684 PolarHBondContact O-N 2.99Å; Q680-R684 PolarHBondContact O-NH1 3.07Å
681A92.3Very high93.8Very high4 Ų458.9 Ų58.93%0.03328%0.276CS..Hα-helixtrans-70.6-41.6175.600000111E416 E678 Q679 R684 I685E416-A681 HydrophobicContact CG-CB 4.07Å; E678-A681 HydrophobicContact CB-CB 4.03Å; E678-A681 WeakPolarHBondContact O-CB 3.25Å; E678-A681 PolarHBondContact O-N 3.36Å; Q679-A681 VanDerWaalsContact C-N 3.3Å; Q679-A681 PolarHBondContact O-N 2.92Å; A681-R684 PolarHBondContact O-N 2.94Å; A681-I685 WeakPolarHBondContact O-CG1 3.41Å; A681-I685 PolarHBondContact O-N 3.46Å
682I94.7Very high93.8Very high1 Ų158.3 Ų58.31%0.00527%0.272CS..Hα-helixtrans-57.5-49.4173.1-62.2174.8000110L672 R673 L676 E678 Q679 R684 I685 L686L672-I682 HydrophobicContact CB-CG1 4.2Å; L672-I682 HydrophobicContact CB-CG2 4.05Å; L672-I682 HydrophobicContact CD1-CG2 3.93Å; R673-I682 HydrophobicContact CG-CD1 3.81Å; L676-I682 HydrophobicContact CB-CD1 4.45Å; L676-I682 HydrophobicContact CB-CG1 3.95Å; L676-I682 HydrophobicContact CD1-CG1 4.45Å; E678-I682 PolarHBondContact O-N 2.65Å; Q679-I682 WeakPolarHBondContact O-CB 3.5Å; Q679-I682 PolarHBondContact O-N 3.47Å; Q679-I682 VanDerWaalsContact O-N 3.17Å; I682-R684 PolarHBondContact O-N 3.16Å; I682-I685 PolarHBondContact O-N 3.05Å; I682-L686 HydrophobicContact CG2-CD1 3.71Å; I682-L686 HydrophobicContact CG2-CG 4.31Å; I682-L686 WeakPolarHBondContact O-CB 3.39Å; I682-L686 VanDerWaalsContact O-CG 3.31Å; I682-L686 WeakPolarHBondContact O-CG 3.27Å; I682-L686 PolarHBondContact O-N 3.4Å
683D94.4Very high93.7Very high81 Ų8161.7 Ų61.743%0.43329%0.286SS..Hα-helixtrans-63.2-40.2-179.5-60.1-23.9000112Q679 S687Q679-D683 PolarHBondContact NE2-OD1 3.25Å; Q679-D683 PolarHBondContact O-N 2.77Å; D683-S687 WeakPolarHBondContact O-CB 3.43Å; D683-S687 PolarHBondContact O-N 3.47Å
684R93.8Very high93.5Very high90 Ų9055.5 Ų55.534%0.3426%0.264SS..Hα-helixtrans-62.2-44.1175-77.9-168.5-62.3-86.59.2112.1L413 E416 Q680 A681 I682 S687L413-R684 HydrophobicContact CD1-CB 3.91Å; E416-R684 IonicContact OE1-CZ 3.65Å; E416-R684 IonicContact OE1-NE 3.36Å; E416-R684 PolarHBondContact OE1-NE 3Å; E416-R684 IonicContact OE1-NH2 3.97Å; E416-R684 PolarHBondContact OE1-NH2 2.89Å; Q680-R684 WeakPolarHBondContact O-CB 3.44Å; Q680-R684 VanDerWaalsContact O-CG 3.3Å; Q680-R684 WeakPolarHBondContact O-CG 3.39Å; Q680-R684 PolarHBondContact O-N 2.99Å; Q680-R684 PolarHBondContact O-NH1 3.07Å; A681-R684 PolarHBondContact O-N 2.94Å; I682-R684 PolarHBondContact O-N 3.16Å; R684-S687 WeakPolarHBondContact O-CB 3.34Å; R684-S687 PolarHBondContact O-N 3.37Å; R684-S687 PolarHBondContact O-OG 3.31Å
685I94.6Very high93.4Very high5 Ų549.7 Ų49.73%0.02624%0.243CC..Hα-helixtrans-66-49177.5-68.2172.9000110.6L413 E416 L417 L420 L672 L676 A681 I682 S687 V688 C689L413-I685 HydrophobicContact CD1-CG1 3.74Å; E416-I685 HydrophobicContact CB-CD1 4.16Å; L417-I685 HydrophobicContact CD2-CD1 4.45Å; L417-I685 HydrophobicContact CD2-CG1 4.34Å; L417-I685 HydrophobicContact CD2-CG2 4.42Å; L420-I685 HydrophobicContact CD2-CD1 3.99Å; L672-I685 HydrophobicContact CD1-CG2 4.15Å; L672-I685 HydrophobicContact CD2-CG2 4.24Å; L676-I685 HydrophobicContact CD1-CD1 3.49Å; L676-I685 VanDerWaalsContact CD1-CD1 3.49Å; A681-I685 WeakPolarHBondContact O-CG1 3.41Å; A681-I685 PolarHBondContact O-N 3.46Å; I682-I685 PolarHBondContact O-N 3.05Å; I685-S687 PolarHBondContact O-N 3.16Å; I685-V688 WeakPolarHBondContact O-CG2 3.27Å; I685-V688 PolarHBondContact O-N 3.25Å; I685-V688 VanDerWaalsContact O-N 3.1Å; I685-C689 PolarHBondContact O-N 2.84Å; I685-C689 PolarHBondContact O-SG 2.87Å; I685-C689 VanDerWaalsContact O-SG 3.33Å
686L95.2Very high93.2Very high45 Ų4551.8 Ų51.824%0.23625%0.252CS..Hα-helixtrans-58.4-32.4177.2-69.4171.4000112.5G667 P669 L672 I682 V688 C689G667-L686 WeakPolarHBondContact O-CD2 3.4Å; P669-L686 HydrophobicContact CB-CD1 4.13Å; P669-L686 HydrophobicContact CG-CD1 3.82Å; P669-L686 HydrophobicContact CG-CD2 4.35Å; L672-L686 HydrophobicContact CD1-CD1 4.36Å; L672-L686 HydrophobicContact CD1-CD2 3.67Å; L672-L686 HydrophobicContact CD1-CG 3.7Å; I682-L686 HydrophobicContact CG2-CD1 3.71Å; I682-L686 HydrophobicContact CG2-CG 4.31Å; I682-L686 WeakPolarHBondContact O-CB 3.39Å; I682-L686 VanDerWaalsContact O-CG 3.31Å; I682-L686 WeakPolarHBondContact O-CG 3.27Å; I682-L686 PolarHBondContact O-N 3.4Å; L686-V688 PolarHBondContact O-N 3.47Å; L686-C689 PolarHBondContact O-N 3.15Å
687S93.2Very high92.9Very high50 Ų5056 Ų5635%0.3527%0.267SS..Hα-helixtrans-59.8-32178.182.30000113.7Q409 K490 D683 R684 I685Q409-S687 PolarHBondContact NE2-OG 2.9Å; K490-S687 PolarHBondContact NZ-O 2.86Å; D683-S687 WeakPolarHBondContact O-CB 3.43Å; D683-S687 PolarHBondContact O-N 3.47Å; R684-S687 WeakPolarHBondContact O-CB 3.34Å; R684-S687 PolarHBondContact O-N 3.37Å; R684-S687 PolarHBondContact O-OG 3.31Å; I685-S687 PolarHBondContact O-N 3.16Å
688V93.7Very high92.6Very high1 Ų152.9 Ų52.91%0.00626%0.261CS..Hα-helixtrans-95-12.7179.1-58.30000113.6L413 F474 L489 K490 Q491 I685 L686L413-V688 HydrophobicContact CD2-CB 4.2Å; L413-V688 HydrophobicContact CD2-CG1 3.71Å; L413-V688 HydrophobicContact CD2-CG2 3.43Å; L413-V688 VanDerWaalsContact CD2-CG2 3.43Å; F474-V688 HydrophobicContact CE1-CB 4.24Å; F474-V688 HydrophobicContact CE1-CG1 4.36Å; F474-V688 HydrophobicContact CE1-CG2 4.15Å; L489-V688 HydrophobicContact CB-CG1 4.38Å; L489-V688 HydrophobicContact CD2-CG1 4.17Å; L489-V688 WeakPolarHBondContact O-CA 3.11Å; K490-V688 CarbonylContact C-O 3.5Å; K490-V688 VanDerWaalsContact CA-O 3.31Å; K490-V688 WeakPolarHBondContact CA-O 3.36Å; K490-V688 VanDerWaalsContact CD-O 3.32Å; K490-V688 WeakPolarHBondContact CD-O 3.42Å; Q491-V688 HydrophobicContact CB-CG2 4.27Å; Q491-V688 PolarHBondContact N-O 3.44Å; I685-V688 WeakPolarHBondContact O-CG2 3.27Å; I685-V688 PolarHBondContact O-N 3.25Å; I685-V688 VanDerWaalsContact O-N 3.1Å; L686-V688 PolarHBondContact O-N 3.47Å
689C93.9Very high92.3Very high23 Ų2347.9 Ų47.916%0.15524%0.24CC..PPolyproline II helixtrans-63.6141.3175-65.80000110.9K490 I685 L686K490-C689 WeakPolarHBondContact CD-O 3.42Å; K490-C689 PolarHBondContact NZ-O 2.75Å; I685-C689 PolarHBondContact O-N 2.84Å; I685-C689 PolarHBondContact O-SG 2.87Å; I685-C689 VanDerWaalsContact O-SG 3.33Å; L686-C689 PolarHBondContact O-N 3.15Å
690M92.9Very high92Very high12 Ų1249 Ų496%0.05925%0.254CS..PPolyproline II helixtrans-93.3154.3158.2-73.9-66.1-75.500108.9K490 M692 M752 K753 K754 I755K490-M690 HydrophobicContact CB-CG 3.95Å; K490-M690 HydrophobicContact CB-SD 4.1Å; K490-M690 HydrophobicContact CD-CG 4.03Å; K490-M690 HydrophobicContact CD-SD 3.65Å; K490-M690 HydrophobicContact CG-CG 4.09Å; K490-M690 HydrophobicContact CG-SD 3.61Å; M690-M692 PolarHBondContact O-N 3.27Å; M690-M752 HydrophobicContact CB-CE 3.67Å; M690-M752 HydrophobicContact CB-CG 4.28Å; M690-M752 HydrophobicContact CG-CE 3.78Å; M690-K753 HydrophobicContact CE-CB 4.1Å; M690-K753 HydrophobicContact CE-CG 4.1Å; M690-K753 WeakPolarHBondContact CE-O 3.24Å; M690-K754 WeakPolarHBondContact CE-O 3.14Å; M690-I755 HydrophobicContact CE-CG1 4.15Å; M690-I755 HydrophobicContact CG-CD1 4.14Å; M690-I755 HydrophobicContact CG-CG1 3.63Å; M690-I755 HydrophobicContact SD-CG1 4.12Å
691P92.5Very high91.8Very high56 Ų5648.5 Ų48.536%0.36425%0.251SS..PPolyproline II helixtrans-53.5123.4169.1-25.534.5000111Y693 K753P691-Y693 HydrophobicContact CB-CE2 3.91Å; P691-K753 HydrophobicContact CB-CB 4.13Å; P691-K753 HydrophobicContact CG-CB 4.33Å; P691-K753 HydrophobicContact CG-CD 4.25Å; P691-K753 PolarHBondContact O-N 2.83Å
692M94.3Very high91.7Very high23 Ų2348.8 Ų48.811%0.11325%0.253CS..EExtended strand (participates in β ladder)trans-129.3140.9175.9-65.4-172.1-167.200109.7Q663 Q664 M690 I750 V751 M752Q663-M692 HydrophobicContact CG-CE 4.15Å; Q663-M692 HydrophobicContact CG-SD 4.19Å; Q664-M692 HydrophobicContact CB-CB 3.94Å; Q664-M692 HydrophobicContact CB-SD 4.38Å; Q664-M692 HydrophobicContact CG-CB 3.72Å; M690-M692 PolarHBondContact O-N 3.27Å; M692-I750 HydrophobicContact CG-CD1 4.38Å; M692-I750 HydrophobicContact SD-CD1 3.75Å; M692-V751 CarbonylContact C-O 3.42Å; M692-V751 VanDerWaalsContact CA-O 3.28Å; M692-V751 WeakPolarHBondContact CA-O 3.38Å; M692-M752 HydrophobicContact CE-CE 3.8Å; M692-M752 HydrophobicContact CE-CG 4.01Å; M692-M752 HydrophobicContact CE-SD 3.79Å; M692-M752 HydrophobicContact CG-CB 4.08Å; M692-M752 HydrophobicContact CG-CG 3.91Å
693Y94Very high91.4Very high71 Ų7152.9 Ų52.928%0.27828%0.281SS..EExtended strand (participates in β ladder)trans-131.7136.2-172.8-51.2-84.3000110.1P691 V705 Y716 V751P691-Y693 HydrophobicContact CB-CE2 3.91Å; Y693-V705 HydrophobicContact CD1-CG2 3.51Å; Y693-V705 HydrophobicContact CD2-CG1 4.26Å; Y693-V705 HydrophobicContact CE1-CG2 4.18Å; Y693-V705 HydrophobicContact CG-CG1 3.94Å; Y693-V705 HydrophobicContact CG-CG2 3.69Å; Y693-Y716 HydrophobicContact CE2-CE1 4.19Å; Y693-V751 HydrophobicContact CD2-CG1 4.36Å; Y693-V751 PolarHBondContact N-O 3.5Å; Y693-V751 PolarHBondContact O-N 2.91Å
694G92.1Very high91.2Very high7 Ų753 Ų537%0.07229%0.285CS..  trans-79.3167.8166.400000111.5E696G694-E696 VanDerWaalsContact CA-OE2 3.22Å; G694-E696 WeakPolarHBondContact CA-OE2 3.38Å
695L92.6Very high91.1Very high2 Ų249.2 Ų49.21%0.0127%0.272CS..  trans-125.237179.7-60.5174.4000111.5R697 T702 V705 L706 L718 L738 R746 V751L695-R697 PolarHBondContact O-N 2.84Å; L695-T702 WeakPolarHBondContact CA-OG1 3.37Å; L695-T702 HydrophobicContact CB-CG2 4.25Å; L695-T702 HydrophobicContact CD2-CG2 4.22Å; L695-V705 HydrophobicContact CD2-CG1 4.28Å; L695-L706 HydrophobicContact CD2-CD2 3.91Å; L695-L706 HydrophobicContact CD2-CG 4.21Å; L695-L718 HydrophobicContact CD1-CD1 3.98Å; L695-L738 HydrophobicContact CD1-CD2 3.45Å; L695-L738 VanDerWaalsContact CD1-CD2 3.45Å; L695-R746 HydrophobicContact CB-CB 4.02Å; L695-R746 HydrophobicContact CD1-CB 4.42Å; L695-V751 HydrophobicContact CD1-CG2 4.14Å; L695-V751 HydrophobicContact CD2-CG2 4.04Å; L695-V751 HydrophobicContact CG-CG2 4.32Å
696E91.1Very high91Very high55 Ų5550.1 Ų50.126%0.25728%0.277SS..  trans-57.5129.4-177.6-60.790.8156.400112.4K661 G694 N698 S699 T702K661-E696 IonicContact NZ-OE1 3.46Å; K661-E696 PolarHBondContact NZ-OE1 3.34Å; G694-E696 VanDerWaalsContact CA-OE2 3.22Å; G694-E696 WeakPolarHBondContact CA-OE2 3.38Å; E696-N698 PolarHBondContact O-N 3.19Å; E696-S699 WeakPolarHBondContact O-CB 3.23Å; E696-S699 PolarHBondContact O-N 2.78Å; E696-T702 PolarHBondContact N-OG1 3.03Å; E696-T702 PolarHBondContact O-OG1 3.4Å
697R86.9Confident90.8Very high100 Ų10055.8 Ų55.838%0.37730%0.299SS..THydrogen-bonded Turntrans-59.9-23.1-173.170.5-156.4170.9-162.6-6.6115E440 L695 P743 E747E440-R697 IonicContact OE1-NH2 2.69Å; E440-R697 IonicContact OE2-CZ 3.87Å; E440-R697 IonicContact OE2-NH1 2.93Å; E440-R697 PolarHBondContact OE2-NH1 2.78Å; E440-R697 IonicContact OE2-NH2 3.54Å; E440-R697 PolarHBondContact OE2-NH2 2.97Å; L695-R697 PolarHBondContact O-N 2.84Å; R697-P743 HydrophobicContact CB-CB 3.77Å; R697-E747 VanDerWaalsContact CB-OE1 3.32Å; R697-E747 WeakPolarHBondContact CB-OE1 3.43Å; R697-E747 WeakPolarHBondContact CD-OE1 3.26Å; R697-E747 WeakPolarHBondContact CG-OE1 3.45Å; R697-E747 PolarHBondContact N-OE1 2.72Å; R697-E747 IonicContact NE-OE1 3.71Å
698N83.6Confident90.7Very high145 Ų14557.7 Ų57.778%0.77530%0.303SS*.THydrogen-bonded Turntrans-109.312-177.7-65-23.1000113.3E696E696-N698 PolarHBondContact O-N 3.19Å
699S87Confident90.4Very high25 Ų2557.7 Ų57.718%0.17530%0.303CS..  trans-96122.8-176.8165.40000111.7E696 E701 T702E696-S699 WeakPolarHBondContact O-CB 3.23Å; E696-S699 PolarHBondContact O-N 2.78Å; S699-E701 PolarHBondContact O-N 3.02Å; S699-E701 PolarHBondContact OG-N 3.5Å; S699-E701 PolarHBondContact OG-OE2 2.94Å; S699-E701 VanDerWaalsContact OG-OE2 3.13Å; S699-T702 WeakPolarHBondContact CB-OG1 3.41Å; S699-T702 WeakPolarHBondContact O-CB 3.19Å; S699-T702 PolarHBondContact O-N 2.99Å; S699-T702 PolarHBondContact OG-N 2.91Å; S699-T702 PolarHBondContact OG-OG1 3.09Å
700P86.6Confident90.1Very high97 Ų9760.5 Ų60.563%0.6332%0.316SS*.Hα-helixtrans-57.2-36.9171-25.135000112.6T702 S703P700-T702 VanDerWaalsContact C-N 3.29Å; P700-T702 PolarHBondContact O-N 2.6Å; P700-S703 PolarHBondContact O-N 2.74Å
701E88.4Confident89.9Confident125 Ų12563.9 Ų63.958%0.58435%0.346SS*.Hα-helixtrans-61.9-35.7179.4-66.276.4-174.700111.8S699 S703 V704 V705S699-E701 PolarHBondContact O-N 3.02Å; S699-E701 PolarHBondContact OG-N 3.5Å; S699-E701 PolarHBondContact OG-OE2 2.94Å; S699-E701 VanDerWaalsContact OG-OE2 3.13Å; E701-S703 VanDerWaalsContact C-N 3.25Å; E701-S703 PolarHBondContact O-N 3.33Å; E701-V704 WeakPolarHBondContact O-CB 3.22Å; E701-V704 PolarHBondContact O-N 3Å; E701-V705 WeakPolarHBondContact O-CG2 3.46Å; E701-V705 PolarHBondContact O-N 3.25Å
702T90.8Very high89.7Confident10 Ų1065.3 Ų65.36%0.06135%0.351CS..Hα-helixtrans-57.7-37.7177-64.20000112.1L695 E696 S699 P700 V704 V705 L706L695-T702 WeakPolarHBondContact CA-OG1 3.37Å; L695-T702 HydrophobicContact CB-CG2 4.25Å; L695-T702 HydrophobicContact CD2-CG2 4.22Å; E696-T702 PolarHBondContact N-OG1 3.03Å; E696-T702 PolarHBondContact O-OG1 3.4Å; S699-T702 WeakPolarHBondContact CB-OG1 3.41Å; S699-T702 WeakPolarHBondContact O-CB 3.19Å; S699-T702 PolarHBondContact O-N 2.99Å; S699-T702 PolarHBondContact OG-N 2.91Å; S699-T702 PolarHBondContact OG-OG1 3.09Å; P700-T702 VanDerWaalsContact C-N 3.29Å; P700-T702 PolarHBondContact O-N 2.6Å; T702-V704 VanDerWaalsContact C-N 3.34Å; T702-V704 PolarHBondContact O-N 3.05Å; T702-V705 PolarHBondContact O-N 3.37Å; T702-L706 HydrophobicContact CG2-CD1 3.83Å; T702-L706 HydrophobicContact CG2-CG 4.18Å; T702-L706 VanDerWaalsContact O-CB 3.31Å; T702-L706 WeakPolarHBondContact O-CB 3.47Å; T702-L706 WeakPolarHBondContact O-CG 3.43Å; T702-L706 PolarHBondContact O-N 3Å
703S87.5Confident89.1Confident87 Ų8765.4 Ų65.461%0.60835%0.353SS*.Hα-helixtrans-66.8-34.5177-63.10000112.7P700 E701 K707P700-S703 PolarHBondContact O-N 2.74Å; E701-S703 VanDerWaalsContact C-N 3.25Å; E701-S703 PolarHBondContact O-N 3.33Å; S703-K707 WeakPolarHBondContact O-CB 3.15Å; S703-K707 PolarHBondContact O-N 3.07Å
704V91.3Very high88Confident84 Ų8464.7 Ų64.751%0.50936%0.362SS..Hα-helixtrans-71.5-49.1176.3-177.60000110.2E701 T702 L706 K707 E708E701-V704 WeakPolarHBondContact O-CB 3.22Å; E701-V704 PolarHBondContact O-N 3Å; T702-V704 VanDerWaalsContact C-N 3.34Å; T702-V704 PolarHBondContact O-N 3.05Å; V704-L706 PolarHBondContact O-N 3.07Å; V704-K707 WeakPolarHBondContact O-CB 3.3Å; V704-K707 PolarHBondContact O-N 3.25Å; V704-K707 VanDerWaalsContact O-N 3.13Å; V704-E708 PolarHBondContact O-N 3.29Å
705V91Very high87.5Confident10 Ų1065.3 Ų65.36%0.06137%0.368CS..Hα-helixtrans-60-46.5179.4171.20000111Y693 L695 E701 T702 K707 E708 V709 V751Y693-V705 HydrophobicContact CD1-CG2 3.51Å; Y693-V705 HydrophobicContact CD2-CG1 4.26Å; Y693-V705 HydrophobicContact CE1-CG2 4.18Å; Y693-V705 HydrophobicContact CG-CG1 3.94Å; Y693-V705 HydrophobicContact CG-CG2 3.69Å; L695-V705 HydrophobicContact CD2-CG1 4.28Å; E701-V705 WeakPolarHBondContact O-CG2 3.46Å; E701-V705 PolarHBondContact O-N 3.25Å; T702-V705 PolarHBondContact O-N 3.37Å; V705-K707 VanDerWaalsContact C-N 3.3Å; V705-K707 PolarHBondContact O-N 2.83Å; V705-E708 PolarHBondContact O-N 3.4Å; V705-V709 HydrophobicContact CG1-CG2 4.04Å; V705-V709 WeakPolarHBondContact O-CB 3.15Å; V705-V709 WeakPolarHBondContact O-CG2 3.13Å; V705-V709 PolarHBondContact O-N 2.83Å; V705-V751 HydrophobicContact CG1-CB 4.42Å; V705-V751 HydrophobicContact CG1-CG2 4.46Å
706L91.5Very high87.3Confident24 Ų2466.1 Ų66.113%0.12637%0.371CS..Hα-helixtrans-58-43.2175.6-73.7173.8000111.2L695 T702 V704 E708 V709 L710 L738L695-L706 HydrophobicContact CD2-CD2 3.91Å; L695-L706 HydrophobicContact CD2-CG 4.21Å; T702-L706 HydrophobicContact CG2-CD1 3.83Å; T702-L706 HydrophobicContact CG2-CG 4.18Å; T702-L706 VanDerWaalsContact O-CB 3.31Å; T702-L706 WeakPolarHBondContact O-CB 3.47Å; T702-L706 WeakPolarHBondContact O-CG 3.43Å; T702-L706 PolarHBondContact O-N 3Å; V704-L706 PolarHBondContact O-N 3.07Å; L706-E708 PolarHBondContact O-N 3.03Å; L706-V709 PolarHBondContact O-N 2.9Å; L706-L710 VanDerWaalsContact O-CB 3.27Å; L706-L710 WeakPolarHBondContact O-CB 3.4Å; L706-L710 WeakPolarHBondContact O-CD1 3.35Å; L706-L710 WeakPolarHBondContact O-CG 3.09Å; L706-L710 PolarHBondContact O-N 3.4Å; L706-L738 HydrophobicContact CD2-CD1 3.8Å; L706-L738 HydrophobicContact CD2-CD2 4.24Å; L706-L738 HydrophobicContact CD2-CG 4.44Å
707K91Very high87.1Confident164 Ų16463.9 Ų63.971%0.71336%0.361SS*.Hα-helixtrans-62.6-41177.5-173.7179.3178-178.10112.7S703 V704 V705 A711S703-K707 WeakPolarHBondContact O-CB 3.15Å; S703-K707 PolarHBondContact O-N 3.07Å; V704-K707 WeakPolarHBondContact O-CB 3.3Å; V704-K707 PolarHBondContact O-N 3.25Å; V704-K707 VanDerWaalsContact O-N 3.13Å; V705-K707 VanDerWaalsContact C-N 3.3Å; V705-K707 PolarHBondContact O-N 2.83Å; K707-A711 WeakPolarHBondContact O-CB 3.46Å; K707-A711 PolarHBondContact O-N 2.81Å
708E91.1Very high87.3Confident90 Ų9059.1 Ų59.142%0.42134%0.343SS..Hα-helixtrans-67.9-43.9175.8-69.8-175.3-174.800112.5V704 V705 L706 A711 D712 Y716V704-E708 PolarHBondContact O-N 3.29Å; V705-E708 PolarHBondContact O-N 3.4Å; L706-E708 PolarHBondContact O-N 3.03Å; E708-A711 PolarHBondContact O-N 2.99Å; E708-D712 PolarHBondContact O-N 3.39Å; E708-Y716 PolarHBondContact OE2-OH 3.19Å
709V88.4Confident87.6Confident1 Ų152.4 Ų52.41%0.00631%0.307CS..Hα-helixtrans-68.9-37.9-177.5172.80000112V705 L706 A711 D712 P713 Y716 I734 L738 V751V705-V709 HydrophobicContact CG1-CG2 4.04Å; V705-V709 WeakPolarHBondContact O-CB 3.15Å; V705-V709 WeakPolarHBondContact O-CG2 3.13Å; V705-V709 PolarHBondContact O-N 2.83Å; L706-V709 PolarHBondContact O-N 2.9Å; V709-A711 VanDerWaalsContact C-N 3.27Å; V709-A711 PolarHBondContact O-N 3.26Å; V709-D712 CarbonylContact O-C 3.59Å; V709-P713 VanDerWaalsContact O-CA 3.23Å; V709-P713 WeakPolarHBondContact O-CA 3.48Å; V709-P713 WeakPolarHBondContact O-CB 3.27Å; V709-P713 WeakPolarHBondContact O-CD 3.47Å; V709-Y716 HydrophobicContact CB-CD2 4.22Å; V709-Y716 HydrophobicContact CG1-CD2 4.44Å; V709-Y716 HydrophobicContact CG2-CD1 4.11Å; V709-Y716 HydrophobicContact CG2-CD2 3.78Å; V709-Y716 HydrophobicContact CG2-CE1 4.28Å; V709-Y716 HydrophobicContact CG2-CE2 3.97Å; V709-Y716 HydrophobicContact CG2-CG 3.88Å; V709-I734 HydrophobicContact CG1-CG2 3.5Å; V709-L738 HydrophobicContact CG1-CD1 4.18Å; V709-V751 HydrophobicContact CG2-CB 4.42Å; V709-V751 HydrophobicContact CG2-CG1 3.55Å; V709-V751 HydrophobicContact CG2-CG2 4.21Å
710L88.2Confident87.8Confident82 Ų8251.8 Ų51.843%0.42930%0.302SS..Hα-helixtrans-71.2-23.7174.6-66.3168.8000112L706 I735L706-L710 VanDerWaalsContact O-CB 3.27Å; L706-L710 WeakPolarHBondContact O-CB 3.4Å; L706-L710 WeakPolarHBondContact O-CD1 3.35Å; L706-L710 WeakPolarHBondContact O-CG 3.09Å; L706-L710 PolarHBondContact O-N 3.4Å; L710-I735 HydrophobicContact CD2-CB 4.21Å; L710-I735 HydrophobicContact CD2-CG1 4.07Å; L710-I735 HydrophobicContact CD2-CG2 3.8Å
711A88.6Confident87.8Confident84 Ų8447.7 Ų47.769%0.69428%0.275SS*.Hα-helixtrans-83.7-34.4176.800000113.9K707 E708 V709K707-A711 WeakPolarHBondContact O-CB 3.46Å; K707-A711 PolarHBondContact O-N 2.81Å; E708-A711 PolarHBondContact O-N 2.99Å; V709-A711 VanDerWaalsContact C-N 3.27Å; V709-A711 PolarHBondContact O-N 3.26Å
712D87.2Confident87.1Confident86 Ų8643.8 Ų43.846%0.4626%0.258SS..  trans-136.271.8172.6179.819000112.2E708 V709 A714 G715 Y716E708-D712 PolarHBondContact O-N 3.39Å; V709-D712 CarbonylContact O-C 3.59Å; D712-A714 PolarHBondContact O-N 3.33Å; D712-A714 VanDerWaalsContact O-N 3.1Å; D712-A714 PolarHBondContact OD1-N 3.3Å; D712-G715 PolarHBondContact O-N 3.35Å; D712-G715 VanDerWaalsContact O-N 3.08Å; D712-G715 PolarHBondContact OD1-N 3.16Å; D712-G715 VanDerWaalsContact OD1-N 3.14Å; D712-Y716 WeakPolarHBondContact O-CD2 3.38Å
713P81.4Confident86.1Confident25 Ų2543.8 Ų43.816%0.16226%0.257CS..THydrogen-bonded Turntrans-66.6-13.5179.828.9-37.6000113.1V709 G731 I735V709-P713 VanDerWaalsContact O-CA 3.23Å; V709-P713 WeakPolarHBondContact O-CA 3.48Å; V709-P713 WeakPolarHBondContact O-CB 3.27Å; V709-P713 WeakPolarHBondContact O-CD 3.47Å; P713-G731 PolarHBondContact O-N 2.87Å; P713-I735 HydrophobicContact CB-CD1 4.41Å; P713-I735 HydrophobicContact CB-CG1 4.21Å; P713-I735 HydrophobicContact CG-CD1 3.95Å; P713-I735 HydrophobicContact CG-CG1 4.3Å
714A71.4Confident84.4Confident56 Ų5641.2 Ų41.246%0.46324%0.244SC..THydrogen-bonded Turntrans-76.4-25.3175.100000112.5D712 Y716 K754D712-A714 PolarHBondContact O-N 3.33Å; D712-A714 VanDerWaalsContact O-N 3.1Å; D712-A714 PolarHBondContact OD1-N 3.3Å; A714-Y716 VanDerWaalsContact C-N 3.33Å; A714-K754 VanDerWaalsContact O-CD 3.27Å; A714-K754 WeakPolarHBondContact O-CD 3.21Å
715G81.9Confident82.2Confident19 Ų1939.7 Ų39.720%0.19625%0.245CC..SBendtrans-77.8-8.3175.400000115.3D712 K754D712-G715 PolarHBondContact O-N 3.35Å; D712-G715 VanDerWaalsContact O-N 3.08Å; D712-G715 PolarHBondContact OD1-N 3.16Å; D712-G715 VanDerWaalsContact OD1-N 3.14Å; G715-K754 VanDerWaalsContact O-CB 3.26Å; G715-K754 WeakPolarHBondContact O-CB 3.4Å; G715-K754 PolarHBondContact O-N 3.4Å
716Y89.2Confident80.1Confident19 Ų1941.3 Ų41.38%0.07526%0.264CS..EExtended strand (participates in β ladder)trans-125.4170.9-175.3-61.8-82.5000113.5Y693 E708 V709 D712 A714 V751 M752 K753Y693-Y716 HydrophobicContact CE2-CE1 4.19Å; E708-Y716 PolarHBondContact OE2-OH 3.19Å; V709-Y716 HydrophobicContact CB-CD2 4.22Å; V709-Y716 HydrophobicContact CG1-CD2 4.44Å; V709-Y716 HydrophobicContact CG2-CD1 4.11Å; V709-Y716 HydrophobicContact CG2-CD2 3.78Å; V709-Y716 HydrophobicContact CG2-CE1 4.28Å; V709-Y716 HydrophobicContact CG2-CE2 3.97Å; V709-Y716 HydrophobicContact CG2-CG 3.88Å; D712-Y716 WeakPolarHBondContact O-CD2 3.38Å; A714-Y716 VanDerWaalsContact C-N 3.33Å; Y716-V751 HydrophobicContact CD1-CG1 3.52Å; Y716-V751 HydrophobicContact CE1-CG1 4.31Å; Y716-V751 HydrophobicContact CG-CG1 3.94Å; Y716-M752 CarbonylContact C-O 3.57Å; Y716-M752 WeakPolarHBondContact CA-O 3.35Å; Y716-K753 HydrophobicContact CD1-CB 4.28Å; Y716-K753 HydrophobicContact CE1-CB 4.26Å; Y716-K753 HydrophobicContact CE1-CG 4.49Å
717V85.6Confident78.9Confident9 Ų942.7 Ų42.76%0.05527%0.272CS..EExtended strand (participates in β ladder)trans-136.3125170.8-172.60000107.4K719 N728 Y730 M752 K754V717-K719 HydrophobicContact CG1-CG 4.18Å; V717-N728 HydrophobicContact CG1-CB 4.01Å; V717-Y730 HydrophobicContact CB-CD1 4.25Å; V717-Y730 HydrophobicContact CB-CE1 4.1Å; V717-Y730 HydrophobicContact CG1-CD1 3.84Å; V717-Y730 HydrophobicContact CG1-CE1 3.45Å; V717-Y730 VanDerWaalsContact CG1-CE1 3.45Å; V717-Y730 HydrophobicContact CG1-CE2 4.47Å; V717-Y730 HydrophobicContact CG1-CG 4.49Å; V717-Y730 HydrophobicContact CG2-CD1 3.69Å; V717-Y730 HydrophobicContact CG2-CE1 3.51Å; V717-M752 PolarHBondContact N-O 2.96Å; V717-M752 PolarHBondContact O-N 3.17Å; V717-K754 HydrophobicContact CG2-CB 3.97Å; V717-K754 HydrophobicContact CG2-CD 4.46Å; V717-K754 HydrophobicContact CG2-CG 3.9Å
718L91.6Very high78.3Confident0 Ų036 Ų360%024%0.243CC..EExtended strand (participates in β ladder)trans-91.3128.8171.1-175.779.7000108.1L695 F729 I734 V737 L738 Y749 I750 V751L695-L718 HydrophobicContact CD1-CD1 3.98Å; L718-F729 HydrophobicContact CB-CB 4.2Å; L718-F729 HydrophobicContact CD2-CB 4.48Å; L718-F729 HydrophobicContact CD2-CD2 4.41Å; L718-F729 PolarHBondContact N-O 3.37Å; L718-F729 PolarHBondContact O-N 2.77Å; L718-I734 HydrophobicContact CB-CB 4.35Å; L718-I734 HydrophobicContact CB-CD1 4.27Å; L718-I734 HydrophobicContact CB-CG1 3.83Å; L718-I734 HydrophobicContact CB-CG2 3.99Å; L718-I734 HydrophobicContact CD2-CG2 4.42Å; L718-V737 HydrophobicContact CD2-CB 3.98Å; L718-V737 HydrophobicContact CD2-CG1 3.65Å; L718-L738 HydrophobicContact CD1-CD2 3.91Å; L718-L738 HydrophobicContact CD1-CG 4.37Å; L718-L738 HydrophobicContact CD2-CD2 4.24Å; L718-L738 HydrophobicContact CD2-CG 4.2Å; L718-Y749 HydrophobicContact CD1-CD1 4.43Å; L718-Y749 HydrophobicContact CD1-CG 4.3Å; L718-Y749 HydrophobicContact CD2-CD1 3.9Å; L718-Y749 HydrophobicContact CD2-CE1 4.35Å; L718-Y749 HydrophobicContact CD2-CG 4.28Å; L718-Y749 HydrophobicContact CG-CD1 3.89Å; L718-Y749 HydrophobicContact CG-CG 4.24Å; L718-I750 WeakPolarHBondContact CA-O 3.23Å; L718-V751 HydrophobicContact CD1-CG2 3.78Å
719K91Very high77.8Confident3 Ų333.6 Ų33.61%0.01323%0.232CC..EExtended strand (participates in β ladder)trans-121.6130.3-179.1-55-170.8177.8178.80110.5V492 K660 V717 N728 Y749 I750 M752V492-K719 PolarHBondContact O-NZ 2.76Å; K660-K719 HydrophobicContact CG-CB 4.46Å; V717-K719 HydrophobicContact CG1-CG 4.18Å; K719-N728 WeakPolarHBondContact CG-OD1 3.5Å; K719-Y749 CarbonylContact O-C 3.51Å; K719-Y749 VanDerWaalsContact O-CA 3.31Å; K719-Y749 WeakPolarHBondContact O-CA 3.42Å; K719-I750 HydrophobicContact CB-CG1 4.02Å; K719-I750 PolarHBondContact N-O 3.37Å; K719-I750 PolarHBondContact O-N 3.47Å; K719-M752 WeakPolarHBondContact CE-SD 3.36Å; K719-M752 PolarHBondContact NZ-SD 3.24Å
720P89.7Confident77.1Confident13 Ų1338 Ų388%0.08425%0.249CC..EExtended strand (participates in β ladder)trans-74.9174.2165.934.2-32.2000110.1K660 L722 N727 F729 Y749K660-P720 WeakPolarHBondContact CG-O 3.43Å; P720-L722 VanDerWaalsContact C-N 3.26Å; P720-L722 HydrophobicContact CG-CB 4.5Å; P720-L722 PolarHBondContact O-N 2.87Å; P720-N727 VanDerWaalsContact CD-O 3.29Å; P720-N727 WeakPolarHBondContact CD-O 3.34Å; P720-N727 HydrophobicContact CG-CB 3.75Å; P720-N727 WeakPolarHBondContact CG-O 3.37Å; P720-F729 HydrophobicContact CG-CE2 4.07Å; P720-Y749 HydrophobicContact CB-CD1 4.09Å; P720-Y749 HydrophobicContact CB-CE1 3.97Å
721Q87.6Confident76.4Confident10 Ų1035.1 Ų35.15%0.04724%0.239CC..SBendtrans-73.4-15176.8-54-44.1-45.900114.7V438 K660 S748V438-Q721 HydrophobicContact CG1-CG 3.66Å; V438-Q721 HydrophobicContact CG2-CG 4.39Å; K660-Q721 VanDerWaalsContact N-OE1 3.13Å; Q721-S748 WeakPolarHBondContact CG-O 3.44Å; Q721-S748 PolarHBondContact N-O 2.93Å; Q721-S748 PolarHBondContact NE2-O 2.93Å
722L73.8Confident75.6Confident44 Ų4432.6 Ų32.623%0.2322%0.217CC..  trans-62.1140.9-176.8-60.3-178.8000112.9F444 L625 P626 P720F444-L722 HydrophobicContact CD1-CD2 4.03Å; F444-L722 HydrophobicContact CE1-CD2 4.48Å; L625-L722 HydrophobicContact CD2-CB 4.42Å; P626-L722 HydrophobicContact CG-CD2 3.89Å; P720-L722 VanDerWaalsContact C-N 3.26Å; P720-L722 HydrophobicContact CG-CB 4.5Å; P720-L722 PolarHBondContact O-N 2.87Å
723E68.8Low74.9Confident10 Ų1029.4 Ų29.45%0.04720%0.199CC..SBendtrans-78.4162.2173.9-72.8-65.7-178.600113.1I497 Y624 L625 K660 N727I497-E723 HydrophobicContact CG2-CG 4.04Å; Y624-E723 HydrophobicContact CD2-CB 4.4Å; L625-E723 WeakPolarHBondContact CD2-O 3.25Å; K660-E723 VanDerWaalsContact NZ-CD 3.32Å; K660-E723 IonicContact NZ-OE1 3.1Å; K660-E723 PolarHBondContact NZ-OE1 2.83Å; K660-E723 IonicContact NZ-OE2 3.5Å; K660-E723 PolarHBondContact NZ-OE2 2.78Å; E723-N727 PolarHBondContact O-ND2 3.49Å
724G52.2Low75.1Confident33 Ų3328.2 Ų28.234%0.3419%0.191SC..SBendtrans81.9123.1-176.700000113G726 N727G724-G726 PolarHBondContact O-N 2.84Å; G724-N727 PolarHBondContact O-ND2 2.82Å
725G45.3Very low75.7Confident51 Ų5128.2 Ų28.253%0.52618%0.182SC..THydrogen-bonded Turntrans-65.813.8-170.600000117.8
726G46.6Very low75.6Confident45 Ų4528.8 Ų28.846%0.46418%0.183SC..THydrogen-bonded Turntrans-80.4-17.2177.300000115G724G724-G726 PolarHBondContact O-N 2.84Å
727N66.1Low75.4Confident52 Ų5228.3 Ų28.328%0.27818%0.182SC..SBendtrans-100.3-0.1-162.5-58.7-40.1000115.3P720 E723 G724 F729P720-N727 VanDerWaalsContact CD-O 3.29Å; P720-N727 WeakPolarHBondContact CD-O 3.34Å; P720-N727 HydrophobicContact CG-CB 3.75Å; P720-N727 WeakPolarHBondContact CG-O 3.37Å; E723-N727 PolarHBondContact O-ND2 3.49Å; G724-N727 PolarHBondContact O-ND2 2.82Å; N727-F729 WeakPolarHBondContact O-CD2 3.3Å; N727-F729 WeakPolarHBondContact O-CE2 3.39Å
728N78.6Confident75.5Confident23 Ų2328.1 Ų28.112%0.12318%0.181CC..  trans-80.6149.9-175.8-65.1-19.4000113.3V717 K719 Y730V717-N728 HydrophobicContact CG1-CB 4.01Å; K719-N728 WeakPolarHBondContact CG-OD1 3.5Å; N728-Y730 HydrophobicContact CB-CE2 3.67Å
729F80.3Confident75.2Confident40 Ų4032 Ų3218%0.17521%0.208CC..EExtended strand (participates in β ladder)trans-114.1137.8-179.2-46.4-104.7000111.3L718 P720 N727 K733 V737 Y749L718-F729 HydrophobicContact CB-CB 4.2Å; L718-F729 HydrophobicContact CD2-CB 4.48Å; L718-F729 HydrophobicContact CD2-CD2 4.41Å; L718-F729 PolarHBondContact N-O 3.37Å; L718-F729 PolarHBondContact O-N 2.77Å; P720-F729 HydrophobicContact CG-CE2 4.07Å; N727-F729 WeakPolarHBondContact O-CD2 3.3Å; N727-F729 WeakPolarHBondContact O-CE2 3.39Å; F729-K733 HydrophobicContact CB-CB 4.17Å; F729-K733 HydrophobicContact CB-CD 3.55Å; F729-K733 HydrophobicContact CB-CG 3.72Å; F729-K733 HydrophobicContact CD1-CD 3.39Å; F729-K733 HydrophobicContact CD1-CG 3.62Å; F729-K733 HydrophobicContact CE1-CD 4.46Å; F729-K733 HydrophobicContact CG-CD 3.83Å; F729-K733 HydrophobicContact CG-CG 4.13Å; F729-V737 HydrophobicContact CD1-CG2 3.61Å; F729-V737 HydrophobicContact CE1-CG2 3.78Å; F729-V737 HydrophobicContact CG-CG2 4.28Å; F729-Y749 HydrophobicContact CD2-CE1 4.27Å; F729-Y749 HydrophobicContact CE2-CD1 4.35Å; F729-Y749 AromaticContact CE2-CE1 3.65Å; F729-Y749 HydrophobicContact CE2-CE1 3.65Å; F729-Y749 HydrophobicContact CZ-CE1 4.21Å
730Y74.5Confident75Confident94 Ų9436 Ų3637%0.36924%0.237SC..EExtended strand (participates in β ladder)trans-138.9145.4-170.4-57.6-94.3000111.4V717 N728 K733V717-Y730 HydrophobicContact CB-CD1 4.25Å; V717-Y730 HydrophobicContact CB-CE1 4.1Å; V717-Y730 HydrophobicContact CG1-CD1 3.84Å; V717-Y730 HydrophobicContact CG1-CE1 3.45Å; V717-Y730 VanDerWaalsContact CG1-CE1 3.45Å; V717-Y730 HydrophobicContact CG1-CE2 4.47Å; V717-Y730 HydrophobicContact CG1-CG 4.49Å; V717-Y730 HydrophobicContact CG2-CD1 3.69Å; V717-Y730 HydrophobicContact CG2-CE1 3.51Å; N728-Y730 HydrophobicContact CB-CE2 3.67Å; Y730-K733 WeakPolarHBondContact O-CB 3.46Å
731G73.5Confident74.8Confident21 Ų2135.9 Ų35.922%0.21624%0.236CC..THydrogen-bonded Turntrans64.1-144.7176.800000111.8P713 K733 I734P713-G731 PolarHBondContact O-N 2.87Å; G731-K733 PolarHBondContact O-N 2.84Å; G731-I734 WeakPolarHBondContact O-CB 3.27Å; G731-I734 WeakPolarHBondContact O-CG1 3.33Å; G731-I734 PolarHBondContact O-N 3.08Å
732S71.7Confident74.8Confident32 Ų3237.7 Ų37.722%0.22425%0.249CC..Hα-helixtrans-48.5-36.2179.3490000113I734 I735 S736 E853S732-I734 CarbonylContact O-C 3.46Å; S732-I734 PolarHBondContact O-N 2.92Å; S732-I735 WeakPolarHBondContact O-CA 3.48Å; S732-I735 VanDerWaalsContact O-CB 3.28Å; S732-I735 WeakPolarHBondContact O-CB 3.3Å; S732-I735 PolarHBondContact O-N 2.72Å; S732-S736 PolarHBondContact O-N 3.48Å; S732-E853 VanDerWaalsContact C-OE1 3.32Å
733K72.9Confident75.5Confident19 Ų1939 Ų398%0.08326%0.261CS..Hα-helixtrans-42.1-36.6172.9-158.1179.8-138.7151.90114.8F729 Y730 G731 V737 E853 R1185F729-K733 HydrophobicContact CB-CB 4.17Å; F729-K733 HydrophobicContact CB-CD 3.55Å; F729-K733 HydrophobicContact CB-CG 3.72Å; F729-K733 HydrophobicContact CD1-CD 3.39Å; F729-K733 HydrophobicContact CD1-CG 3.62Å; F729-K733 HydrophobicContact CE1-CD 4.46Å; F729-K733 HydrophobicContact CG-CD 3.83Å; F729-K733 HydrophobicContact CG-CG 4.13Å; Y730-K733 WeakPolarHBondContact O-CB 3.46Å; G731-K733 PolarHBondContact O-N 2.84Å; K733-V737 VanDerWaalsContact O-CG2 3.3Å; K733-V737 WeakPolarHBondContact O-CG2 3.17Å; K733-V737 PolarHBondContact O-N 3.16Å; K733-E853 WeakPolarHBondContact CA-OE2 3.41Å; K733-E853 PolarHBondContact N-OE2 3.08Å; K733-R1185 HydrophobicContact CB-CB 3.68Å; K733-R1185 HydrophobicContact CB-CG 3.85Å; K733-R1185 HydrophobicContact CD-CB 3.48Å; K733-R1185 VanDerWaalsContact CD-CB 3.48Å; K733-R1185 HydrophobicContact CD-CG 4.27Å; K733-R1185 WeakPolarHBondContact CD-O 3.29Å; K733-R1185 HydrophobicContact CG-CB 3.53Å; K733-R1185 HydrophobicContact CG-CG 3.77Å; K733-R1185 PolarHBondContact NZ-O 3.07Å
734I84.3Confident76.5Confident0 Ų041.1 Ų41.10%027%0.272CS..Hα-helixtrans-66.8-42.2178.4-59.2178.9000110.7V709 L718 G731 S732 L738V709-I734 HydrophobicContact CG1-CG2 3.5Å; L718-I734 HydrophobicContact CB-CB 4.35Å; L718-I734 HydrophobicContact CB-CD1 4.27Å; L718-I734 HydrophobicContact CB-CG1 3.83Å; L718-I734 HydrophobicContact CB-CG2 3.99Å; L718-I734 HydrophobicContact CD2-CG2 4.42Å; G731-I734 WeakPolarHBondContact O-CB 3.27Å; G731-I734 WeakPolarHBondContact O-CG1 3.33Å; G731-I734 PolarHBondContact O-N 3.08Å; S732-I734 CarbonylContact O-C 3.46Å; S732-I734 PolarHBondContact O-N 2.92Å; I734-L738 HydrophobicContact CG2-CD1 3.58Å; I734-L738 HydrophobicContact CG2-CG 4.27Å; I734-L738 WeakPolarHBondContact O-CB 3.16Å; I734-L738 WeakPolarHBondContact O-CG 3.44Å; I734-L738 PolarHBondContact O-N 2.83Å
735I83.6Confident78.2Confident56 Ų5643.9 Ų43.929%0.28728%0.276SS..Hα-helixtrans-61.4-56-178.7-53.8178.8000110.4L710 P713 S732 V737 L738 S739L710-I735 HydrophobicContact CD2-CB 4.21Å; L710-I735 HydrophobicContact CD2-CG1 4.07Å; L710-I735 HydrophobicContact CD2-CG2 3.8Å; P713-I735 HydrophobicContact CB-CD1 4.41Å; P713-I735 HydrophobicContact CB-CG1 4.21Å; P713-I735 HydrophobicContact CG-CD1 3.95Å; P713-I735 HydrophobicContact CG-CG1 4.3Å; S732-I735 WeakPolarHBondContact O-CA 3.48Å; S732-I735 VanDerWaalsContact O-CB 3.28Å; S732-I735 WeakPolarHBondContact O-CB 3.3Å; S732-I735 PolarHBondContact O-N 2.72Å; I735-V737 PolarHBondContact O-N 3.29Å; I735-L738 PolarHBondContact O-N 3.02Å; I735-S739 VanDerWaalsContact O-CB 3.3Å; I735-S739 WeakPolarHBondContact O-CB 3.28Å; I735-S739 PolarHBondContact O-N 3.18Å; I735-S739 PolarHBondContact O-OG 2.8Å
736S80.7Confident80.4Confident30 Ų3044.3 Ų44.321%0.2126%0.262CS..Hα-helixtrans-63.5-41.2-177.61640000112.5S732 L738 S739 S740 E853 R1185S732-S736 PolarHBondContact O-N 3.48Å; S736-L738 PolarHBondContact O-N 3Å; S736-S739 PolarHBondContact O-N 2.81Å; S736-S739 VanDerWaalsContact O-N 3.16Å; S736-S740 PolarHBondContact O-N 3.5Å; S736-S740 PolarHBondContact O-OG 3.04Å; S736-S740 VanDerWaalsContact O-OG 3.13Å; S736-E853 WeakPolarHBondContact CB-OE1 3.28Å; S736-E853 WeakPolarHBondContact CB-OE2 3.13Å; S736-E853 PolarHBondContact N-OE1 3.43Å; S736-R1185 PolarHBondContact OG-NH2 3.37Å
737V84.6Confident82.6Confident10 Ų1043.3 Ų43.36%0.06125%0.245CC..Hα-helixtrans-61.6-47176.31730000111.2L718 F729 K733 I735 S739 S740 C741 Y749L718-V737 HydrophobicContact CD2-CB 3.98Å; L718-V737 HydrophobicContact CD2-CG1 3.65Å; F729-V737 HydrophobicContact CD1-CG2 3.61Å; F729-V737 HydrophobicContact CE1-CG2 3.78Å; F729-V737 HydrophobicContact CG-CG2 4.28Å; K733-V737 VanDerWaalsContact O-CG2 3.3Å; K733-V737 WeakPolarHBondContact O-CG2 3.17Å; K733-V737 PolarHBondContact O-N 3.16Å; I735-V737 PolarHBondContact O-N 3.29Å; V737-S739 PolarHBondContact O-N 2.9Å; V737-S740 PolarHBondContact O-N 3.22Å; V737-S740 PolarHBondContact O-OG 2.93Å; V737-C741 WeakPolarHBondContact O-CB 3.3Å; V737-C741 PolarHBondContact O-N 3.22Å; V737-C741 PolarHBondContact O-SG 3.4Å; V737-Y749 HydrophobicContact CG1-CE1 3.94Å; V737-Y749 HydrophobicContact CG1-CE2 4.17Å
738L89.3Confident83.7Confident4 Ų441.7 Ų41.72%0.02124%0.238CC..Hα-helixtrans-65.9-27.2177-67.3174.5000113L695 L706 V709 L718 I734 I735 S736 R746L695-L738 HydrophobicContact CD1-CD2 3.45Å; L695-L738 VanDerWaalsContact CD1-CD2 3.45Å; L706-L738 HydrophobicContact CD2-CD1 3.8Å; L706-L738 HydrophobicContact CD2-CD2 4.24Å; L706-L738 HydrophobicContact CD2-CG 4.44Å; V709-L738 HydrophobicContact CG1-CD1 4.18Å; L718-L738 HydrophobicContact CD1-CD2 3.91Å; L718-L738 HydrophobicContact CD1-CG 4.37Å; L718-L738 HydrophobicContact CD2-CD2 4.24Å; L718-L738 HydrophobicContact CD2-CG 4.2Å; I734-L738 HydrophobicContact CG2-CD1 3.58Å; I734-L738 HydrophobicContact CG2-CG 4.27Å; I734-L738 WeakPolarHBondContact O-CB 3.16Å; I734-L738 WeakPolarHBondContact O-CG 3.44Å; I734-L738 PolarHBondContact O-N 2.83Å; I735-L738 PolarHBondContact O-N 3.02Å; S736-L738 PolarHBondContact O-N 3Å; L738-R746 HydrophobicContact CD2-CG 4.33Å; L738-R746 VanDerWaalsContact O-CZ 3.3Å; L738-R746 PolarHBondContact O-NE 3.33Å; L738-R746 PolarHBondContact O-NH2 3.13Å
739S84.9Confident84.4Confident82 Ų8242.5 Ų42.557%0.57324%0.24SC*.Hα-helixtrans-79.4-33.6177.2-56.20000112.7I735 S736 V737I735-S739 VanDerWaalsContact O-CB 3.3Å; I735-S739 WeakPolarHBondContact O-CB 3.28Å; I735-S739 PolarHBondContact O-N 3.18Å; I735-S739 PolarHBondContact O-OG 2.8Å; S736-S739 PolarHBondContact O-N 2.81Å; S736-S739 VanDerWaalsContact O-N 3.16Å; V737-S739 PolarHBondContact O-N 2.9Å
740S85.9Confident85Confident88 Ų8840.6 Ų40.662%0.61523%0.231SC*.Hα-helixtrans-78-32.5175.457.10000112.8S736 V737S736-S740 PolarHBondContact O-N 3.5Å; S736-S740 PolarHBondContact O-OG 3.04Å; S736-S740 VanDerWaalsContact O-OG 3.13Å; V737-S740 PolarHBondContact O-N 3.22Å; V737-S740 PolarHBondContact O-OG 2.93Å
741C85.1Confident85.9Confident10 Ų1036.1 Ų36.17%0.06821%0.214CC..SBendtrans-73.6129179.2-70.70000112.2V737 E745 R746V737-C741 WeakPolarHBondContact O-CB 3.3Å; V737-C741 PolarHBondContact O-N 3.22Å; V737-C741 PolarHBondContact O-SG 3.4Å; C741-E745 HydrophobicContact CB-CB 3.8Å; C741-R746 HydrophobicContact CB-CG 3.72Å; C741-R746 PolarHBondContact O-NE 2.84Å; C741-R746 PolarHBondContact O-NH2 2.57Å
742S88.7Confident86.9Confident47 Ų4735.4 Ų35.433%0.32921%0.205SC..  trans-57.2162.1161.267.80000111.5L744 E745 R746S742-L744 PolarHBondContact O-N 3.33Å; S742-L744 VanDerWaalsContact O-N 3.13Å; S742-E745 WeakPolarHBondContact CB-OE2 3.21Å; S742-E745 PolarHBondContact N-OE2 2.84Å; S742-E745 PolarHBondContact O-N 2.7Å; S742-E745 VanDerWaalsContact O-N 3.12Å; S742-E745 WeakPolarHBondContact OG-CG 3.39Å; S742-E745 PolarHBondContact OG-N 3.16Å; S742-E745 PolarHBondContact OG-OE2 2.87Å; S742-R746 WeakPolarHBondContact O-CG 3.42Å; S742-R746 PolarHBondContact O-N 3.45Å; S742-R746 VanDerWaalsContact O-N 3.09Å
743P88Confident87.8Confident72 Ų7238.6 Ų38.647%0.46822%0.215SC..THydrogen-bonded Turntrans-55.5-30.3177.7-27.536.2000114.5R697R697-P743 HydrophobicContact CB-CB 3.77Å
744L88.9Confident88.5Confident55 Ų5541.2 Ų41.229%0.28823%0.226SC..THydrogen-bonded Turntrans-73.1-49174.2166.859.3000111.6E440 S441 S742 R746 E747E440-L744 HydrophobicContact CB-CD1 3.61Å; S441-L744 WeakPolarHBondContact CB-O 3.35Å; S742-L744 PolarHBondContact O-N 3.33Å; S742-L744 VanDerWaalsContact O-N 3.13Å; L744-R746 PolarHBondContact O-N 3.41Å; L744-E747 WeakPolarHBondContact O-CB 3.43Å; L744-E747 PolarHBondContact O-N 3.34Å
745E89.1Confident88.4Confident90 Ų9042.1 Ų42.142%0.42123%0.231SC..G310 helixtrans-61.5-28.8-179.1-70.7161.7120.100112.6C741 S742 E747 S748 Y749C741-E745 HydrophobicContact CB-CB 3.8Å; S742-E745 WeakPolarHBondContact CB-OE2 3.21Å; S742-E745 PolarHBondContact N-OE2 2.84Å; S742-E745 PolarHBondContact O-N 2.7Å; S742-E745 VanDerWaalsContact O-N 3.12Å; S742-E745 WeakPolarHBondContact OG-CG 3.39Å; S742-E745 PolarHBondContact OG-N 3.16Å; S742-E745 PolarHBondContact OG-OE2 2.87Å; E745-E747 PolarHBondContact O-N 3.1Å; E745-S748 WeakPolarHBondContact O-CB 3.49Å; E745-S748 PolarHBondContact O-N 2.9Å; E745-S748 VanDerWaalsContact O-N 3.16Å; E745-S748 PolarHBondContact O-OG 3.32Å; E745-Y749 WeakPolarHBondContact O-CD2 3.15Å
746R91.3Very high88.2Confident61 Ų6143.1 Ų43.123%0.2324%0.237CC..G310 helixtrans-59.5-27.9173.8-71.5175.9-170.9159.64.8113.1L695 L738 C741 S742 L744 S748 Y749L695-R746 HydrophobicContact CB-CB 4.02Å; L695-R746 HydrophobicContact CD1-CB 4.42Å; L738-R746 HydrophobicContact CD2-CG 4.33Å; L738-R746 VanDerWaalsContact O-CZ 3.3Å; L738-R746 PolarHBondContact O-NE 3.33Å; L738-R746 PolarHBondContact O-NH2 3.13Å; C741-R746 HydrophobicContact CB-CG 3.72Å; C741-R746 PolarHBondContact O-NE 2.84Å; C741-R746 PolarHBondContact O-NH2 2.57Å; S742-R746 WeakPolarHBondContact O-CG 3.42Å; S742-R746 PolarHBondContact O-N 3.45Å; S742-R746 VanDerWaalsContact O-N 3.09Å; L744-R746 PolarHBondContact O-N 3.41Å; R746-S748 PolarHBondContact O-N 2.77Å; R746-Y749 PolarHBondContact O-N 3.45Å
747E92.4Very high87.8Confident23 Ų2342.5 Ų42.511%0.10724%0.235CC..G310 helixtrans-69.4-19.1179.7-55-160.6-162.800112.8G437 R697 L744 E745 Y749G437-E747 VanDerWaalsContact CA-OE2 3.24Å; G437-E747 WeakPolarHBondContact CA-OE2 3.22Å; R697-E747 VanDerWaalsContact CB-OE1 3.32Å; R697-E747 WeakPolarHBondContact CB-OE1 3.43Å; R697-E747 WeakPolarHBondContact CD-OE1 3.26Å; R697-E747 WeakPolarHBondContact CG-OE1 3.45Å; R697-E747 PolarHBondContact N-OE1 2.72Å; R697-E747 IonicContact NE-OE1 3.71Å; L744-E747 WeakPolarHBondContact O-CB 3.43Å; L744-E747 PolarHBondContact O-N 3.34Å; E745-E747 PolarHBondContact O-N 3.1Å; E747-Y749 PolarHBondContact O-N 2.7Å
748S89.9Confident87.2Confident19 Ų1943.8 Ų43.813%0.13324%0.244CC..G310 helixtrans-71-4.7169.774.70000113.8S441 Q721 E745 R746S441-S748 PolarHBondContact OG-N 2.92Å; Q721-S748 WeakPolarHBondContact CG-O 3.44Å; Q721-S748 PolarHBondContact N-O 2.93Å; Q721-S748 PolarHBondContact NE2-O 2.93Å; E745-S748 WeakPolarHBondContact O-CB 3.49Å; E745-S748 PolarHBondContact O-N 2.9Å; E745-S748 VanDerWaalsContact O-N 3.16Å; E745-S748 PolarHBondContact O-OG 3.32Å; R746-S748 PolarHBondContact O-N 2.77Å
749Y92.6Very high86.1Confident39 Ų3944.7 Ų44.715%0.15325%0.25CC..EExtended strand (participates in β ladder)trans-118.8155.9178.9-58.7-91.8000113L718 K719 P720 F729 V737 E745 R746 E747L718-Y749 HydrophobicContact CD1-CD1 4.43Å; L718-Y749 HydrophobicContact CD1-CG 4.3Å; L718-Y749 HydrophobicContact CD2-CD1 3.9Å; L718-Y749 HydrophobicContact CD2-CE1 4.35Å; L718-Y749 HydrophobicContact CD2-CG 4.28Å; L718-Y749 HydrophobicContact CG-CD1 3.89Å; L718-Y749 HydrophobicContact CG-CG 4.24Å; K719-Y749 CarbonylContact O-C 3.51Å; K719-Y749 VanDerWaalsContact O-CA 3.31Å; K719-Y749 WeakPolarHBondContact O-CA 3.42Å; P720-Y749 HydrophobicContact CB-CD1 4.09Å; P720-Y749 HydrophobicContact CB-CE1 3.97Å; F729-Y749 HydrophobicContact CD2-CE1 4.27Å; F729-Y749 HydrophobicContact CE2-CD1 4.35Å; F729-Y749 AromaticContact CE2-CE1 3.65Å; F729-Y749 HydrophobicContact CE2-CE1 3.65Å; F729-Y749 HydrophobicContact CZ-CE1 4.21Å; V737-Y749 HydrophobicContact CG1-CE1 3.94Å; V737-Y749 HydrophobicContact CG1-CE2 4.17Å; E745-Y749 WeakPolarHBondContact O-CD2 3.15Å; R746-Y749 PolarHBondContact O-N 3.45Å; E747-Y749 PolarHBondContact O-N 2.7Å
750I93.6Very high85.4Confident0 Ų041.5 Ų41.50%023%0.227CC..EExtended strand (participates in β ladder)trans-120.2153.5160.863.8148.9000110.8K660 K661 Q664 M692 L718 K719K660-I750 HydrophobicContact CB-CD1 3.82Å; K660-I750 HydrophobicContact CB-CG1 3.86Å; K661-I750 HydrophobicContact CD-CG2 4.42Å; Q664-I750 HydrophobicContact CB-CB 4.45Å; Q664-I750 HydrophobicContact CB-CD1 4.23Å; Q664-I750 HydrophobicContact CB-CG2 3.87Å; Q664-I750 HydrophobicContact CG-CG2 4.13Å; M692-I750 HydrophobicContact CG-CD1 4.38Å; M692-I750 HydrophobicContact SD-CD1 3.75Å; L718-I750 WeakPolarHBondContact CA-O 3.23Å; K719-I750 HydrophobicContact CB-CG1 4.02Å; K719-I750 PolarHBondContact N-O 3.37Å; K719-I750 PolarHBondContact O-N 3.47Å
751V93.8Very high84.9Confident1 Ų138.3 Ų38.31%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-100.3128.9166.9175.80000108.9M692 Y693 L695 V705 V709 Y716 L718M692-V751 CarbonylContact C-O 3.42Å; M692-V751 VanDerWaalsContact CA-O 3.28Å; M692-V751 WeakPolarHBondContact CA-O 3.38Å; Y693-V751 HydrophobicContact CD2-CG1 4.36Å; Y693-V751 PolarHBondContact N-O 3.5Å; Y693-V751 PolarHBondContact O-N 2.91Å; L695-V751 HydrophobicContact CD1-CG2 4.14Å; L695-V751 HydrophobicContact CD2-CG2 4.04Å; L695-V751 HydrophobicContact CG-CG2 4.32Å; V705-V751 HydrophobicContact CG1-CB 4.42Å; V705-V751 HydrophobicContact CG1-CG2 4.46Å; V709-V751 HydrophobicContact CG2-CB 4.42Å; V709-V751 HydrophobicContact CG2-CG1 3.55Å; V709-V751 HydrophobicContact CG2-CG2 4.21Å; Y716-V751 HydrophobicContact CD1-CG1 3.52Å; Y716-V751 HydrophobicContact CE1-CG1 4.31Å; Y716-V751 HydrophobicContact CG-CG1 3.94Å; L718-V751 HydrophobicContact CD1-CG2 3.78Å
752M93.5Very high84.4Confident6 Ų638 Ų383%0.0320%0.201CC..EExtended strand (participates in β ladder)trans-116.8134.6172.4-179.8-172.2-17700109.6Q491 M690 M692 Y716 V717 K719 K754 I755Q491-M752 VanDerWaalsContact O-CE 3.27Å; Q491-M752 WeakPolarHBondContact O-CE 3.21Å; M690-M752 HydrophobicContact CB-CE 3.67Å; M690-M752 HydrophobicContact CB-CG 4.28Å; M690-M752 HydrophobicContact CG-CE 3.78Å; M692-M752 HydrophobicContact CE-CE 3.8Å; M692-M752 HydrophobicContact CE-CG 4.01Å; M692-M752 HydrophobicContact CE-SD 3.79Å; M692-M752 HydrophobicContact CG-CB 4.08Å; M692-M752 HydrophobicContact CG-CG 3.91Å; Y716-M752 CarbonylContact C-O 3.57Å; Y716-M752 WeakPolarHBondContact CA-O 3.35Å; V717-M752 PolarHBondContact N-O 2.96Å; V717-M752 PolarHBondContact O-N 3.17Å; K719-M752 WeakPolarHBondContact CE-SD 3.36Å; K719-M752 PolarHBondContact NZ-SD 3.24Å; M752-K754 PolarHBondContact O-N 3.15Å; M752-I755 HydrophobicContact CE-CD1 3.76Å; M752-I755 HydrophobicContact CE-CG1 4.13Å
753K91.7Very high84Confident99 Ų9938.8 Ų38.843%0.4320%0.198SC..EExtended strand (participates in β ladder)trans-64.4130.6169.7-172.8167.4-172.4163.30109.7M690 P691 Y716M690-K753 HydrophobicContact CE-CB 4.1Å; M690-K753 HydrophobicContact CE-CG 4.1Å; M690-K753 WeakPolarHBondContact CE-O 3.24Å; P691-K753 HydrophobicContact CB-CB 4.13Å; P691-K753 HydrophobicContact CG-CB 4.33Å; P691-K753 HydrophobicContact CG-CD 4.25Å; P691-K753 PolarHBondContact O-N 2.83Å; Y716-K753 HydrophobicContact CD1-CB 4.28Å; Y716-K753 HydrophobicContact CE1-CB 4.26Å; Y716-K753 HydrophobicContact CE1-CG 4.49Å
754K86.3Confident83.1Confident73 Ų7336.1 Ų36.132%0.31718%0.18SC..PPolyproline II helixtrans-67.2134.8-170.5-171.4174.6-178.2174.30111.6M690 A714 G715 V717 M752 N756M690-K754 WeakPolarHBondContact CE-O 3.14Å; A714-K754 VanDerWaalsContact O-CD 3.27Å; A714-K754 WeakPolarHBondContact O-CD 3.21Å; G715-K754 VanDerWaalsContact O-CB 3.26Å; G715-K754 WeakPolarHBondContact O-CB 3.4Å; G715-K754 PolarHBondContact O-N 3.4Å; V717-K754 HydrophobicContact CG2-CB 3.97Å; V717-K754 HydrophobicContact CG2-CD 4.46Å; V717-K754 HydrophobicContact CG2-CG 3.9Å; M752-K754 PolarHBondContact O-N 3.15Å; K754-N756 PolarHBondContact O-N 3.4Å
755I83.6Confident82.2Confident20 Ų2034.5 Ų34.510%0.10317%0.172CC..PPolyproline II helixtrans-76.9118.3173.4-62.5165.8000108.9M475 H477 K490 V492 M690 M752 G757M475-I755 HydrophobicContact CB-CD1 4.41Å; M475-I755 HydrophobicContact CB-CG2 3.92Å; H477-I755 HydrophobicContact CB-CG2 3.9Å; K490-I755 HydrophobicContact CB-CD1 3.84Å; K490-I755 HydrophobicContact CB-CG1 4.01Å; K490-I755 HydrophobicContact CB-CG2 4.48Å; V492-I755 HydrophobicContact CG2-CD1 3.99Å; M690-I755 HydrophobicContact CE-CG1 4.15Å; M690-I755 HydrophobicContact CG-CD1 4.14Å; M690-I755 HydrophobicContact CG-CG1 3.63Å; M690-I755 HydrophobicContact SD-CG1 4.12Å; M752-I755 HydrophobicContact CE-CD1 3.76Å; M752-I755 HydrophobicContact CE-CG1 4.13Å; I755-G757 VanDerWaalsContact C-N 3.35Å; I755-G757 PolarHBondContact O-N 3.36Å
756N78.7Confident80.8Confident76 Ų7635.1 Ų35.141%0.40617%0.171SC..  trans-72.790.7166.5-61.4-30.3000108.5H477 D478 K754H477-N756 WeakPolarHBondContact CA-O 3.34Å; H477-N756 PolarHBondContact ND1-N 2.63Å; H477-N756 PolarHBondContact ND1-O 3.07Å; D478-N756 PolarHBondContact N-O 3.14Å; D478-N756 WeakPolarHBondContact O-CB 3.41Å; K754-N756 PolarHBondContact O-N 3.4Å
757G72.2Confident79.1Confident18 Ų1833.9 Ų33.919%0.18617%0.171CC..BIsolated β-bridgetrans-78.7141.1-175.800000113.8L476 I755L476-G757 VanDerWaalsContact O-CA 3.31Å; L476-G757 WeakPolarHBondContact O-CA 3.38Å; I755-G757 VanDerWaalsContact C-N 3.35Å; I755-G757 PolarHBondContact O-N 3.36Å
758C70.9Confident77.2Confident36 Ų3637.4 Ų37.424%0.24319%0.187CC..  trans-70.5144.2174.9-57.50000112L476 L487L476-C758 HydrophobicContact CB-CB 4.08Å; L476-C758 PolarHBondContact O-N 3.37Å; L476-C758 PolarHBondContact O-SG 2.87Å; L476-C758 VanDerWaalsContact O-SG 3.34Å; L487-C758 WeakPolarHBondContact CD2-SG 3.07Å
759T67.7Low75.2Confident23 Ų2341.5 Ų41.514%0.14120%0.204CC..EExtended strand (participates in β ladder)trans-108.2158.4172.659.40000112.1V776 D1070T759-V776 CarbonylContact C-O 3.57Å; T759-V776 WeakPolarHBondContact CA-O 3.4Å; T759-V776 WeakPolarHBondContact CB-O 3.41Å; T759-D1070 HydrophobicContact CG2-CB 4.21Å; T759-D1070 PolarHBondContact OG1-OD1 2.77Å; T759-D1070 PolarHBondContact OG1-OD2 2.91Å
760C70.1Confident73.2Confident15 Ų1543.5 Ų43.510%0.10122%0.218CC..EExtended strand (participates in β ladder)trans-140.6-178.7166.566.40000110.2P401 C775 V776P401-C760 HydrophobicContact CG-CB 4.1Å; C760-C775 WeakPolarHBondContact O-CA 3.32Å; C760-V776 PolarHBondContact N-O 2.77Å; C760-V776 PolarHBondContact O-N 2.98Å; C760-V776 VanDerWaalsContact SG-CG2 3.59Å
761E75.6Confident71.8Confident22 Ų2247 Ų4710%0.10324%0.239CC..EExtended strand (participates in β ladder)trans-105.3135.3169.1-65.1-159.710300111.9Y126 R773 Q774 R1076Y126-E761 HydrophobicContact CE1-CB 4.5Å; Y126-E761 PolarHBondContact OH-O 3.18Å; E761-R773 HydrophobicContact CB-CG 4.45Å; E761-R773 IonicContact OE1-NE 2.71Å; E761-R773 PolarHBondContact OE1-NE 3.27Å; E761-R773 IonicContact OE2-CZ 2.88Å; E761-R773 IonicContact OE2-NE 2.68Å; E761-R773 PolarHBondContact OE2-NE 3.09Å; E761-R773 IonicContact OE2-NH2 2.71Å; E761-R773 PolarHBondContact OE2-NH2 3.01Å; E761-Q774 WeakPolarHBondContact CA-O 3.16Å; E761-R1076 IonicContact OE1-CZ 3.18Å; E761-R1076 IonicContact OE1-NH1 3.77Å; E761-R1076 PolarHBondContact OE1-NH1 2.86Å; E761-R1076 IonicContact OE1-NH2 2.04Å; E761-R1076 PolarHBondContact OE1-NH2 2.8Å
762N75Confident69.9Low4 Ų450.3 Ų50.32%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-150.9174.8176.4-152.7-30.1000109.9T396 L398 S400 Q774 V776T396-N762 WeakPolarHBondContact CB-ND2 3.19Å; L398-N762 PolarHBondContact N-OD1 3.06Å; L398-N762 PolarHBondContact O-ND2 3.19Å; L398-N762 PolarHBondContact O-OD1 2.71Å; S400-N762 PolarHBondContact OG-ND2 2.94Å; N762-Q774 PolarHBondContact N-O 3.04Å; N762-Q774 VanDerWaalsContact N-O 3.11Å; N762-Q774 PolarHBondContact O-N 2.81Å; N762-V776 HydrophobicContact CB-CG2 3.76Å
763F79.4Confident68.8Low63 Ų6354.7 Ų54.728%0.27627%0.267SS..EExtended strand (participates in β ladder)trans-110.4129.8173.1-56.6-105000108.8T396 L397 L398 V771 R772 R773T396-F763 CarbonylContact C-O 3.52Å; T396-F763 VanDerWaalsContact CA-O 3.25Å; T396-F763 WeakPolarHBondContact CA-O 3.49Å; L397-F763 HydrophobicContact CB-CB 3.92Å; L397-F763 HydrophobicContact CD2-CB 4.39Å; L397-F763 PolarHBondContact N-O 3.28Å; L398-F763 HydrophobicContact CD1-CD2 4.37Å; L398-F763 HydrophobicContact CD1-CE2 4.39Å; F763-V771 HydrophobicContact CB-CG1 3.77Å; F763-V771 HydrophobicContact CD1-CG1 4.21Å; F763-V771 HydrophobicContact CG-CG1 4.4Å; F763-R772 WeakPolarHBondContact CA-O 3.01Å; F763-R773 HydrophobicContact CD1-CB 4.08Å; F763-R773 HydrophobicContact CE1-CB 3.71Å; F763-R773 HydrophobicContact CZ-CB 4.02Å; F763-R773 HydrophobicContact CZ-CG 4.35Å
764I69.5Low67.4Low15 Ų1551.4 Ų51.48%0.07725%0.254CS..EExtended strand (participates in β ladder)trans-97.1127.5174.8-59-171.4000109.2R766 V776 V807I764-R766 HydrophobicContact CG2-CG 4.02Å; I764-V776 HydrophobicContact CD1-CG1 4.05Å; I764-V776 HydrophobicContact CG1-CG1 4.31Å; I764-V807 HydrophobicContact CD1-CG2 3.45Å; I764-V807 VanDerWaalsContact CD1-CG2 3.45Å
765V68.8Low66.4Low22 Ų2248.8 Ų48.813%0.13324%0.244CC..EExtended strand (participates in β ladder)trans-100.3123.3173.7-172.30000108.5P394 F395 L397 V771P394-V765 WeakPolarHBondContact CA-O 3.23Å; F395-V765 HydrophobicContact CD1-CB 3.97Å; F395-V765 HydrophobicContact CD1-CG1 4.3Å; F395-V765 HydrophobicContact CD2-CB 4.46Å; F395-V765 HydrophobicContact CD2-CG2 4.45Å; F395-V765 HydrophobicContact CE1-CB 3.6Å; F395-V765 HydrophobicContact CE1-CG1 3.53Å; F395-V765 HydrophobicContact CE1-CG2 4.25Å; F395-V765 HydrophobicContact CE2-CB 4.09Å; F395-V765 HydrophobicContact CE2-CG2 3.87Å; F395-V765 HydrophobicContact CG-CB 4.39Å; F395-V765 HydrophobicContact CZ-CB 3.66Å; F395-V765 HydrophobicContact CZ-CG1 3.68Å; F395-V765 HydrophobicContact CZ-CG2 3.77Å; F395-V765 PolarHBondContact N-O 3.15Å; F395-V765 VanDerWaalsContact N-O 3.14Å; F395-V765 PolarHBondContact O-N 2.91Å; L397-V765 HydrophobicContact CB-CG2 3.99Å; L397-V765 HydrophobicContact CD1-CG2 4.23Å; V765-V771 HydrophobicContact CB-CG2 4.46Å; V765-V771 HydrophobicContact CG1-CG2 4.23Å; V765-V771 HydrophobicContact CG2-CG1 4.15Å; V765-V771 HydrophobicContact CG2-CG2 4.02Å
766R60.9Low65.5Low102 Ų10247.8 Ų47.839%0.38524%0.239SC..  trans-135.4147.4175.9-75.2163.8179.3-170.5-0.6108.4P394 I764 H768 Q769P394-R766 HydrophobicContact CB-CG 3.98Å; P394-R766 HydrophobicContact CG-CG 4.31Å; I764-R766 HydrophobicContact CG2-CG 4.02Å; R766-H768 PolarHBondContact O-N 3.03Å; R766-Q769 HydrophobicContact CB-CB 4.18Å; R766-Q769 HydrophobicContact CB-CG 4.28Å; R766-Q769 PolarHBondContact O-N 3.36Å
767C54.4Low65.1Low36 Ų3646.1 Ų46.124%0.24323%0.23CC..THydrogen-bonded Turntrans-54.5139.3169-670000110.1E391 L392 Q769E391-C767 HydrophobicContact CG-CB 4.2Å; L392-C767 PolarHBondContact N-SG 3.37Å; C767-Q769 VanDerWaalsContact C-N 3.25Å; C767-Q769 PolarHBondContact O-N 3.19Å
768H52.4Low65.5Low96 Ų9646.3 Ų46.344%0.44423%0.228SC..THydrogen-bonded Turntrans61.119.8176-43.9-82.5000116.4L294 R766L294-H768 HydrophobicContact CD2-CB 4.12Å; R766-H768 PolarHBondContact O-N 3.03Å
769Q49.4Very low66.1Low105 Ų10545 Ų4549%0.49122%0.219SC..SBendtrans-129.8145176.7-59.7-173.70.300112R766 C767 V771R766-Q769 HydrophobicContact CB-CB 4.18Å; R766-Q769 HydrophobicContact CB-CG 4.28Å; R766-Q769 PolarHBondContact O-N 3.36Å; C767-Q769 VanDerWaalsContact C-N 3.25Å; C767-Q769 PolarHBondContact O-N 3.19Å; Q769-V771 PolarHBondContact O-N 3.16Å
770D50.4Low67.2Low82 Ų8244.3 Ų44.344%0.43921%0.214SC..  trans-59135.2171.7-66.5-30000111.2R772D770-R772 HydrophobicContact CB-CG 3.89Å; D770-R772 PolarHBondContact O-N 2.57Å; D770-R772 VanDerWaalsContact O-N 3.13Å; D770-R772 IonicContact OD2-CZ 3.52Å; D770-R772 IonicContact OD2-NE 2.78Å; D770-R772 PolarHBondContact OD2-NE 2.8Å; D770-R772 IonicContact OD2-NH2 3.32Å; D770-R772 PolarHBondContact OD2-NH2 3.36Å
771V64.3Low68.2Low72 Ų7243.7 Ų43.744%0.43621%0.21SC..  trans-75.8102.1171.8-177.30000108.8L397 F763 V765 Q769L397-V771 HydrophobicContact CD2-CG1 4.35Å; F763-V771 HydrophobicContact CB-CG1 3.77Å; F763-V771 HydrophobicContact CD1-CG1 4.21Å; F763-V771 HydrophobicContact CG-CG1 4.4Å; V765-V771 HydrophobicContact CB-CG2 4.46Å; V765-V771 HydrophobicContact CG1-CG2 4.23Å; V765-V771 HydrophobicContact CG2-CG1 4.15Å; V765-V771 HydrophobicContact CG2-CG2 4.02Å; Q769-V771 PolarHBondContact O-N 3.16Å
772R53.3Low69.1Low72 Ų7242.7 Ų42.727%0.27221%0.205SC..EExtended strand (participates in β ladder)trans-116.7146.7-178.5-60.2-175-173.3178.65.7111.7F763 D770 G1193F763-R772 WeakPolarHBondContact CA-O 3.01Å; D770-R772 HydrophobicContact CB-CG 3.89Å; D770-R772 PolarHBondContact O-N 2.57Å; D770-R772 VanDerWaalsContact O-N 3.13Å; D770-R772 IonicContact OD2-CZ 3.52Å; D770-R772 IonicContact OD2-NE 2.78Å; D770-R772 PolarHBondContact OD2-NE 2.8Å; D770-R772 IonicContact OD2-NH2 3.32Å; D770-R772 PolarHBondContact OD2-NH2 3.36Å; R772-G1193 PolarHBondContact NH1-O 3.26Å
773R70.9Confident70.1Confident97 Ų9742.5 Ų42.537%0.36620%0.204SC..EExtended strand (participates in β ladder)trans-66.4129.3170-172.5-179.2-176.7149.5-0.4109.1E129 E761 F763E129-R773 IonicContact OE1-CZ 2.67Å; E129-R773 IonicContact OE1-NH1 3.76Å; E129-R773 PolarHBondContact OE1-NH1 2.99Å; E761-R773 HydrophobicContact CB-CG 4.45Å; E761-R773 IonicContact OE1-NE 2.71Å; E761-R773 PolarHBondContact OE1-NE 3.27Å; E761-R773 IonicContact OE2-CZ 2.88Å; E761-R773 IonicContact OE2-NE 2.68Å; E761-R773 PolarHBondContact OE2-NE 3.09Å; E761-R773 IonicContact OE2-NH2 2.71Å; E761-R773 PolarHBondContact OE2-NH2 3.01Å; F763-R773 HydrophobicContact CD1-CB 4.08Å; F763-R773 HydrophobicContact CE1-CB 3.71Å; F763-R773 HydrophobicContact CZ-CB 4.02Å; F763-R773 HydrophobicContact CZ-CG 4.35Å
774Q62.1Low70.9Confident30 Ų3039.6 Ų39.614%0.1419%0.192CC..EExtended strand (participates in β ladder)trans-137.6147.4-174.6-71.8174.6-15.500110.2E761 N762 V776 V807 I1192E761-Q774 WeakPolarHBondContact CA-O 3.16Å; N762-Q774 PolarHBondContact N-O 3.04Å; N762-Q774 VanDerWaalsContact N-O 3.11Å; N762-Q774 PolarHBondContact O-N 2.81Å; Q774-V776 HydrophobicContact CB-CG1 4.14Å; Q774-V807 HydrophobicContact CB-CG1 4.36Å; Q774-I1192 HydrophobicContact CG-CD1 4.12Å
775C64.1Low72.2Confident18 Ų1839.2 Ų39.212%0.12219%0.19CC..EExtended strand (participates in β ladder)trans-75.2124.1165.7-171.80000108.4C760 M808 T1073C760-C775 WeakPolarHBondContact O-CA 3.32Å; C775-M808 PolarHBondContact O-N 3.05Å; C775-T1073 PolarHBondContact SG-OG1 3.26Å; C775-T1073 VanDerWaalsContact SG-OG1 3.37Å
776V65.3Low73.6Confident0 Ų038.1 Ų38.10%018%0.183CC..EExtended strand (participates in β ladder)trans-131.4153.6-172.1-60.40000112.7T759 C760 N762 I764 Q774 T805 K806T759-V776 CarbonylContact C-O 3.57Å; T759-V776 WeakPolarHBondContact CA-O 3.4Å; T759-V776 WeakPolarHBondContact CB-O 3.41Å; C760-V776 PolarHBondContact N-O 2.77Å; C760-V776 PolarHBondContact O-N 2.98Å; C760-V776 VanDerWaalsContact SG-CG2 3.59Å; N762-V776 HydrophobicContact CB-CG2 3.76Å; I764-V776 HydrophobicContact CD1-CG1 4.05Å; I764-V776 HydrophobicContact CG1-CG1 4.31Å; Q774-V776 HydrophobicContact CB-CG1 4.14Å; V776-T805 HydrophobicContact CB-CG2 3.51Å; V776-T805 HydrophobicContact CG1-CG2 4.06Å; V776-T805 HydrophobicContact CG2-CG2 3.59Å; V776-K806 CarbonylContact C-O 3.48Å; V776-K806 WeakPolarHBondContact CA-O 3.46Å; V776-K806 WeakPolarHBondContact CB-O 3.35Å
777I71Confident75.3Confident41 Ų4133.3 Ų33.321%0.2117%0.165CC..EExtended strand (participates in β ladder)trans-119.2135175.5-173.4161.7000108.9M475 T805 K806M475-I777 HydrophobicContact CE-CD1 3.54Å; M475-I777 HydrophobicContact CE-CG1 3.73Å; I777-T805 WeakPolarHBondContact O-CA 3.47Å; I777-K806 HydrophobicContact CG2-CB 3.97Å; I777-K806 PolarHBondContact N-O 3.24Å; I777-K806 PolarHBondContact O-N 2.71Å
778S79.3Confident77.4Confident21 Ų2131.6 Ų31.615%0.14715%0.154CC..EExtended strand (participates in β ladder)trans-116.7146.6-172.8-60.30000112.6S400 R804 T805S400-S778 WeakPolarHBondContact CB-OG 3.49Å; S400-S778 PolarHBondContact OG-OG 2.76Å; S778-R804 CarbonylContact C-O 3.57Å; S778-R804 WeakPolarHBondContact CA-O 3.35Å; S778-T805 PolarHBondContact OG-OG1 2.96Å
779E83.7Confident79.4Confident9 Ų927.4 Ų27.44%0.04214%0.135CC..EExtended strand (participates in β ladder)trans-131.8117.1-175.8-172.4-170146.900108.6F474 M475 V492 L803 R804 K806F474-E779 CarbonylContact O-C 3.5Å; F474-E779 WeakPolarHBondContact O-CA 3.28Å; M475-E779 HydrophobicContact CG-CB 4.18Å; M475-E779 HydrophobicContact CG-CG 3.93Å; V492-E779 HydrophobicContact CG2-CG 4.37Å; E779-L803 CarbonylContact O-C 3.57Å; E779-L803 WeakPolarHBondContact O-CA 3.17Å; E779-R804 HydrophobicContact CB-CB 4.34Å; E779-R804 PolarHBondContact N-O 2.91Å; E779-R804 PolarHBondContact O-N 3.26Å; E779-R804 IonicContact OE1-CZ 3.59Å; E779-R804 IonicContact OE1-NE 2.72Å; E779-R804 PolarHBondContact OE1-NE 2.99Å; E779-R804 IonicContact OE1-NH2 3.28Å; E779-R804 PolarHBondContact OE1-NH2 2.78Å; E779-K806 IonicContact OE2-NZ 2.7Å; E779-K806 PolarHBondContact OE2-NZ 2.7Å
780L91Very high81.5Confident9 Ų926.8 Ų26.85%0.04713%0.131CC..EExtended strand (participates in β ladder)trans-94.3112.4-171.617466.9000110.2V402 F407 A410 D473 F474 I782 H801 L802 L803V402-L780 HydrophobicContact CG1-CD2 4.38Å; F407-L780 HydrophobicContact CD2-CD1 3.98Å; F407-L780 HydrophobicContact CD2-CD2 4.01Å; F407-L780 HydrophobicContact CE2-CD1 4Å; A410-L780 HydrophobicContact CB-CD2 3.91Å; D473-L780 CarbonylContact C-O 3.48Å; D473-L780 WeakPolarHBondContact CA-O 3.34Å; F474-L780 PolarHBondContact N-O 2.63Å; F474-L780 PolarHBondContact O-N 2.8Å; L780-I782 HydrophobicContact CD1-CD1 3.96Å; L780-I782 HydrophobicContact CD2-CD1 4.2Å; L780-I782 HydrophobicContact CG-CD1 4Å; L780-I782 HydrophobicContact CG-CG1 4.46Å; L780-H801 HydrophobicContact CD1-CB 4.4Å; L780-L802 CarbonylContact C-O 3.6Å; L780-L802 WeakPolarHBondContact CA-O 3.45Å; L780-L803 HydrophobicContact CB-CD1 3.99Å; L780-L803 HydrophobicContact CD1-CD1 4.24Å
781G91.5Very high83.3Confident1 Ų129 Ų291%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-94.2134168.400000111.2S472 D473 H801 L802S472-G781 CarbonylContact O-C 3.53Å; S472-G781 WeakPolarHBondContact O-CA 3.3Å; D473-G781 WeakPolarHBondContact OD1-CA 3.33Å; G781-H801 CarbonylContact O-C 3.36Å; G781-H801 WeakPolarHBondContact O-CA 3.48Å; G781-L802 PolarHBondContact N-O 3.35Å; G781-L802 PolarHBondContact O-N 3.45Å
782I95.2Very high84.5Confident1 Ų130.7 Ų30.71%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-111.6134.3171-56.8-58000108.7F407 A410 V411 Q414 R471 S472 F474 L780 H801F407-I782 HydrophobicContact CE2-CD1 4.33Å; A410-I782 HydrophobicContact CB-CD1 4.1Å; A410-I782 HydrophobicContact CB-CG1 3.67Å; V411-I782 HydrophobicContact CG2-CD1 3.99Å; Q414-I782 HydrophobicContact CB-CG2 3.82Å; Q414-I782 HydrophobicContact CG-CG2 3.97Å; Q414-I782 PolarHBondContact OE1-O 3.38Å; R471-I782 CarbonylContact C-O 3.59Å; R471-I782 VanDerWaalsContact CA-O 3.27Å; R471-I782 WeakPolarHBondContact CA-O 3.35Å; S472-I782 PolarHBondContact N-O 2.85Å; S472-I782 PolarHBondContact O-N 2.83Å; F474-I782 HydrophobicContact CD2-CG1 4.38Å; F474-I782 HydrophobicContact CE2-CB 4.5Å; F474-I782 HydrophobicContact CE2-CG1 4.13Å; L780-I782 HydrophobicContact CD1-CD1 3.96Å; L780-I782 HydrophobicContact CD2-CD1 4.2Å; L780-I782 HydrophobicContact CG-CD1 4Å; L780-I782 HydrophobicContact CG-CG1 4.46Å; I782-H801 HydrophobicContact CD1-CB 3.95Å
783F95.8Very high86.5Confident1 Ų131 Ų310%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-98.5148.4178.5-71.2-89.5000112Q470 R471 A499 A502 V538 G799 G800 L802Q470-F783 WeakPolarHBondContact O-CA 2.99Å; R471-F783 HydrophobicContact CB-CD1 3.99Å; R471-F783 HydrophobicContact CB-CE1 4Å; R471-F783 VanDerWaalsContact CD-CZ 3.49Å; R471-F783 HydrophobicContact CG-CD1 4.03Å; R471-F783 HydrophobicContact CG-CD2 4.29Å; R471-F783 HydrophobicContact CG-CE1 3.97Å; R471-F783 HydrophobicContact CG-CE2 4.24Å; R471-F783 HydrophobicContact CG-CG 4.21Å; R471-F783 HydrophobicContact CG-CZ 4.08Å; A499-F783 HydrophobicContact CB-CE1 4.35Å; A502-F783 HydrophobicContact CB-CE1 3.92Å; A502-F783 HydrophobicContact CB-CZ 3.93Å; V538-F783 HydrophobicContact CG2-CD1 4.26Å; F783-G799 WeakPolarHBondContact CB-O 3.27Å; F783-G799 PolarHBondContact O-N 3.32Å; F783-G800 PolarHBondContact N-O 2.79Å; F783-G800 VanDerWaalsContact N-O 3.14Å; F783-L802 HydrophobicContact CE2-CB 4.07Å
784G95.8Very high87.5Confident2 Ų230.2 Ų30.22%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-159.2166.8165.300000111.2Q470 H797Q470-G784 PolarHBondContact N-O 2.89Å; Q470-G784 PolarHBondContact O-N 2.89Å; G784-H797 CarbonylContact C-O 3.47Å; G784-H797 WeakPolarHBondContact CA-O 3.27Å
785Y97.1Very high89.1Confident6 Ų631 Ų312%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-131.6154.5169.573.7-95.4000112.2L467 N468 T537 T540 D795 H796 H797L467-Y785 HydrophobicContact CD1-CD2 4.02Å; L467-Y785 HydrophobicContact CD1-CG 4.45Å; N468-Y785 CarbonylContact O-C 2.87Å; N468-Y785 WeakPolarHBondContact O-CA 3.29Å; N468-Y785 VanDerWaalsContact O-CB 3.3Å; N468-Y785 WeakPolarHBondContact O-CB 3.46Å; T537-Y785 HydrophobicContact CG2-CD1 3.68Å; T537-Y785 HydrophobicContact CG2-CE1 4.11Å; T537-Y785 WeakPolarHBondContact O-CD1 3.31Å; T537-Y785 WeakPolarHBondContact O-CE1 3.38Å; T540-Y785 HydrophobicContact CG2-CE1 4.38Å; T540-Y785 WeakPolarHBondContact CG2-OH 3.36Å; Y785-D795 HydrophobicContact CE2-CB 4.2Å; Y785-D795 PolarHBondContact OH-OD2 3.32Å; Y785-H796 PolarHBondContact O-CD2 3.38Å; Y785-H797 HydrophobicContact CD1-CB 4.25Å; Y785-H797 HydrophobicContact CE1-CB 3.64Å; Y785-H797 HydrophobicContact CE2-CB 4.4Å; Y785-H797 PolarHBondContact N-O 3.41Å; Y785-H797 PolarHBondContact O-N 3.16Å
786L97.6Very high90.6Very high0 Ų032.2 Ų32.20%017%0.169CC..EExtended strand (participates in β ladder)trans-139124.2170.7-170.2163.4000108.4H422 N468 V793 D795 H796H422-L786 HydrophobicContact CB-CD1 3.98Å; H422-L786 HydrophobicContact CB-CD2 4.13Å; H422-L786 WeakPolarHBondContact ND1-CD2 3.25Å; N468-L786 PolarHBondContact N-O 3.47Å; N468-L786 PolarHBondContact O-N 2.89Å; L786-V793 HydrophobicContact CD1-CG1 4.46Å; L786-V793 HydrophobicContact CD2-CG1 4Å; L786-V793 HydrophobicContact CD2-CG2 4.28Å; L786-V793 HydrophobicContact CG-CG1 4.01Å; L786-D795 WeakPolarHBondContact CA-O 3.17Å; L786-H796 HydrophobicContact CG-CB 4.18Å
787L97.8Very high91.9Very high1 Ų136 Ų361%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-107.4124.9173.6177.664.7000108.8A466 L467 K544 A545 A548 I647 V794 D795A466-L787 WeakPolarHBondContact O-CA 3.3Å; L467-L787 HydrophobicContact CB-CD1 4.16Å; L467-L787 HydrophobicContact CD1-CB 3.95Å; L467-L787 HydrophobicContact CD1-CD1 4.38Å; K544-L787 HydrophobicContact CB-CD2 4.04Å; K544-L787 WeakPolarHBondContact O-CD2 3.32Å; A545-L787 HydrophobicContact CB-CD1 3.99Å; A548-L787 HydrophobicContact CB-CD2 4.04Å; I647-L787 HydrophobicContact CG2-CD1 4.26Å; L787-V794 HydrophobicContact CD2-CB 4.23Å; L787-V794 HydrophobicContact CD2-CG1 4.02Å; L787-V794 HydrophobicContact CG-CB 4.11Å; L787-V794 HydrophobicContact CG-CG1 4.44Å; L787-V794 PolarHBondContact O-N 2.86Å; L787-D795 HydrophobicContact CB-CB 4.43Å; L787-D795 PolarHBondContact N-O 3.24Å; L787-D795 PolarHBondContact O-N 3.19Å; L787-D795 VanDerWaalsContact O-N 3.15Å
788G96.8Very high92.8Very high0 Ų036.2 Ų36.20%019%0.187CC..EExtended strand (participates in β ladder)trans-178.8174.7179.200000114.5A466 D792A466-G788 PolarHBondContact N-O 2.75Å; A466-G788 PolarHBondContact O-N 2.76Å; G788-D792 CarbonylContact C-O 3.48Å; G788-D792 WeakPolarHBondContact CA-O 3.49Å
789S95.6Very high93.1Very high7 Ų735.7 Ų35.75%0.04919%0.185CC..  trans-103.8-176.2167.7710000110.2H422 E462 R464 Q791 D792H422-S789 PolarHBondContact CE1-O 2.95Å; H422-S789 VanDerWaalsContact CE1-O 3.3Å; H422-S789 PolarHBondContact NE2-O 2.79Å; E462-S789 WeakPolarHBondContact O-CB 3.3Å; E462-S789 PolarHBondContact O-OG 2.83Å; R464-S789 WeakPolarHBondContact O-CA 3.48Å; S789-Q791 PolarHBondContact O-N 3.12Å; S789-Q791 PolarHBondContact OG-N 2.7Å; S789-D792 PolarHBondContact N-O 3.18Å; S789-D792 PolarHBondContact OG-N 3.29Å; S789-D792 VanDerWaalsContact OG-N 3.09Å
790K93.3Very high93.3Very high93 Ų9335.9 Ų35.940%0.40419%0.189SC..SBendtrans-63.8-30.9172.3-177.1166.8158.9-173.60112.3F426 E462F426-K790 HydrophobicContact CB-CB 3.99Å; F426-K790 HydrophobicContact CB-CD 3.95Å; F426-K790 HydrophobicContact CB-CG 3.87Å; F426-K790 HydrophobicContact CD1-CB 3.69Å; F426-K790 HydrophobicContact CD1-CD 4.38Å; F426-K790 HydrophobicContact CD1-CG 4.4Å; F426-K790 HydrophobicContact CD2-CB 4.41Å; F426-K790 HydrophobicContact CE1-CB 4.22Å; F426-K790 HydrophobicContact CG-CB 3.79Å; F426-K790 HydrophobicContact CG-CD 4.49Å; F426-K790 HydrophobicContact CG-CG 4.24Å; E462-K790 PolarHBondContact O-N 2.85Å; E462-K790 WeakPolarHBondContact OE1-CD 3.08Å; E462-K790 WeakPolarHBondContact OE1-CE 3.4Å; E462-K790 IonicContact OE1-NZ 3.91Å; E462-K790 PolarHBondContact OE1-NZ 2.82Å; E462-K790 WeakPolarHBondContact OE2-CD 3.27Å; E462-K790 WeakPolarHBondContact OE2-CE 3.38Å; E462-K790 IonicContact OE2-NZ 3.74Å; E462-K790 PolarHBondContact OE2-NZ 3.25Å
791Q87.3Confident93.3Very high127 Ų12736.7 Ų36.759%0.59319%0.193SC*.SBendtrans-85.2-46.3-177.1-65.1178.8-15.300112.1E462 S789E462-Q791 HydrophobicContact CB-CG 4.31Å; S789-Q791 PolarHBondContact O-N 3.12Å; S789-Q791 PolarHBondContact OG-N 2.7Å
792D91.1Very high93.3Very high109 Ų10937.6 Ų37.658%0.58320%0.197SC*.  trans-130.2140.6-168.6-65.9-55000113.1G788 S789G788-D792 CarbonylContact C-O 3.48Å; G788-D792 WeakPolarHBondContact CA-O 3.49Å; S789-D792 PolarHBondContact N-O 3.18Å; S789-D792 PolarHBondContact OG-N 3.29Å; S789-D792 VanDerWaalsContact OG-N 3.09Å
793V93.3Very high92.9Very high78 Ų7840.1 Ų40.147%0.47321%0.211SC..EExtended strand (participates in β ladder)trans-95.7117.9167.5179.30000108L786 H796L786-V793 HydrophobicContact CD1-CG1 4.46Å; L786-V793 HydrophobicContact CD2-CG1 4Å; L786-V793 HydrophobicContact CD2-CG2 4.28Å; L786-V793 HydrophobicContact CG-CG1 4.01Å; V793-H796 HydrophobicContact CG1-CB 3.87Å
794V93.8Very high92.1Very high81 Ų8143 Ų4349%0.49122%0.221SC..EExtended strand (participates in β ladder)trans-82.3-44.6-178.2177.20000111L465 L787L465-V794 HydrophobicContact CD2-CG2 3.64Å; L787-V794 HydrophobicContact CD2-CB 4.23Å; L787-V794 HydrophobicContact CD2-CG1 4.02Å; L787-V794 HydrophobicContact CG-CB 4.11Å; L787-V794 HydrophobicContact CG-CG1 4.44Å; L787-V794 PolarHBondContact O-N 2.86Å
795D95.8Very high90.9Very high46 Ų4644.4 Ų44.425%0.24623%0.23CC..EExtended strand (participates in β ladder)trans-153.3148.6177.6-162.24000111.1K544 Y785 L786 L787K544-D795 WeakPolarHBondContact CD-OD2 3.43Å; K544-D795 WeakPolarHBondContact CG-OD2 3.29Å; Y785-D795 HydrophobicContact CE2-CB 4.2Å; Y785-D795 PolarHBondContact OH-OD2 3.32Å; L786-D795 WeakPolarHBondContact CA-O 3.17Å; L787-D795 HydrophobicContact CB-CB 4.43Å; L787-D795 PolarHBondContact N-O 3.24Å; L787-D795 PolarHBondContact O-N 3.19Å; L787-D795 VanDerWaalsContact O-N 3.15Å
796H94.5Very high89.1Confident44 Ų4449.4 Ų49.420%0.20425%0.251CS..EExtended strand (participates in β ladder)trans-158.6115-171.7179.8-155.3000112.4K415 T419 Y785 L786 V793K415-H796 WeakPolarHBondContact CA-NE2 3.34Å; K415-H796 PolarHBondContact O-CE1 2.86Å; K415-H796 PolarHBondContact O-NE2 2.93Å; T419-H796 PolarHBondContact OG1-CE1 3.27Å; Y785-H796 PolarHBondContact O-CD2 3.38Å; L786-H796 HydrophobicContact CG-CB 4.18Å; V793-H796 HydrophobicContact CG1-CB 3.87Å
797H93.5Very high86.9Confident80 Ų8050.7 Ų50.737%0.3726%0.259SS..EExtended strand (participates in β ladder)trans-147.2134.5-170.7-164.4-74.7000113.1G784 Y785G784-H797 CarbonylContact C-O 3.47Å; G784-H797 WeakPolarHBondContact CA-O 3.27Å; Y785-H797 HydrophobicContact CD1-CB 4.25Å; Y785-H797 HydrophobicContact CE1-CB 3.64Å; Y785-H797 HydrophobicContact CE2-CB 4.4Å; Y785-H797 PolarHBondContact N-O 3.41Å; Y785-H797 PolarHBondContact O-N 3.16Å
798E89.8Confident84.4Confident44 Ų4452.3 Ų52.321%0.20627%0.267CS..EExtended strand (participates in β ladder)trans-97.6135.3169.677.6-71-147.400110.5V411 Q414 K415V411-E798 HydrophobicContact CG1-CG 4.22Å; Q414-E798 HydrophobicContact CB-CB 3.91Å; Q414-E798 HydrophobicContact CG-CB 3.95Å; K415-E798 WeakPolarHBondContact CE-OE2 3.36Å; K415-E798 HydrophobicContact CG-CB 4.34Å; K415-E798 HydrophobicContact CG-CG 4.5Å; K415-E798 IonicContact NZ-OE1 2.94Å; K415-E798 PolarHBondContact NZ-OE1 2.86Å; K415-E798 IonicContact NZ-OE2 2.62Å; K415-E798 PolarHBondContact NZ-OE2 3.29Å
799G84.5Confident82.2Confident11 Ų1155.8 Ų55.811%0.11329%0.286CS..EExtended strand (participates in β ladder)trans-176.7127.6-177.700000114.9T537 F783T537-G799 WeakPolarHBondContact CB-O 3.14Å; T537-G799 VanDerWaalsContact OG1-CA 3.28Å; T537-G799 WeakPolarHBondContact OG1-CA 3.38Å; T537-G799 PolarHBondContact OG1-O 3.2Å; T537-G799 VanDerWaalsContact OG1-O 3.08Å; F783-G799 WeakPolarHBondContact CB-O 3.27Å; F783-G799 PolarHBondContact O-N 3.32Å
800G87.6Confident80.9Confident12 Ų1258.1 Ų58.112%0.12430%0.296CS..EExtended strand (participates in β ladder)trans85.4167.9179.600000114.9N532 F783N532-G800 WeakPolarHBondContact OD1-CA 3.28Å; F783-G800 PolarHBondContact N-O 2.79Å; F783-G800 VanDerWaalsContact N-O 3.14Å
801H91.6Very high80.4Confident26 Ų2655.1 Ų55.112%0.1228%0.284CS..EExtended strand (participates in β ladder)trans-153.1165.1-169.957.3-90.1000112F407 N532 L780 G781 I782F407-H801 HydrophobicContact CE2-CB 4.04Å; F407-H801 AromaticContact CE2-CG 3.9Å; F407-H801 HydrophobicContact CZ-CB 4.29Å; F407-H801 AromaticContact CZ-CG 3.96Å; F407-H801 AromaticContact CZ-ND1 3.72Å; N532-H801 PolarHBondContact ND2-O 3.15Å; N532-H801 PolarHBondContact OD1-N 3.32Å; N532-H801 PolarHBondContact OD1-O 3.31Å; L780-H801 HydrophobicContact CD1-CB 4.4Å; G781-H801 CarbonylContact O-C 3.36Å; G781-H801 WeakPolarHBondContact O-CA 3.48Å; I782-H801 HydrophobicContact CD1-CB 3.95Å
802L90.9Very high80.3Confident20 Ų2050.1 Ų50.111%0.10526%0.26CS..EExtended strand (participates in β ladder)trans-140145.7175.2179.867.9000108.7F501 L780 G781 F783 R804F501-L802 HydrophobicContact CB-CD1 3.77Å; F501-L802 HydrophobicContact CB-CD2 3.87Å; F501-L802 HydrophobicContact CB-CG 4.47Å; F501-L802 HydrophobicContact CD2-CD2 3.95Å; F501-L802 HydrophobicContact CG-CD2 4.37Å; L780-L802 CarbonylContact C-O 3.6Å; L780-L802 WeakPolarHBondContact CA-O 3.45Å; G781-L802 PolarHBondContact N-O 3.35Å; G781-L802 PolarHBondContact O-N 3.45Å; F783-L802 HydrophobicContact CE2-CB 4.07Å; L802-R804 HydrophobicContact CD2-CG 3.69Å; L802-R804 HydrophobicContact CG-CG 4.01Å
803L87.7Confident80Confident55 Ų5545.4 Ų45.429%0.28823%0.234SC..EExtended strand (participates in β ladder)trans-126.997172.8-160.366000110.2V402 E779 L780V402-L803 HydrophobicContact CG2-CD1 4Å; V402-L803 HydrophobicContact CG2-CD2 4.12Å; E779-L803 CarbonylContact O-C 3.57Å; E779-L803 WeakPolarHBondContact O-CA 3.17Å; L780-L803 HydrophobicContact CB-CD1 3.99Å; L780-L803 HydrophobicContact CD1-CD1 4.24Å
804R78.4Confident79.5Confident60 Ų6044.8 Ų44.823%0.22622%0.223CC..EExtended strand (participates in β ladder)trans-80.6124.9177.9-56.2-165.5-71.1-168-3.4108.8D473 E493 S778 E779 L802D473-R804 IonicContact OD2-CZ 3.22Å; D473-R804 IonicContact OD2-NH2 2.77Å; D473-R804 PolarHBondContact OD2-NH2 2.8Å; E493-R804 IonicContact OE1-NH2 3.33Å; S778-R804 CarbonylContact C-O 3.57Å; S778-R804 WeakPolarHBondContact CA-O 3.35Å; E779-R804 HydrophobicContact CB-CB 4.34Å; E779-R804 PolarHBondContact N-O 2.91Å; E779-R804 PolarHBondContact O-N 3.26Å; E779-R804 IonicContact OE1-CZ 3.59Å; E779-R804 IonicContact OE1-NE 2.72Å; E779-R804 PolarHBondContact OE1-NE 2.99Å; E779-R804 IonicContact OE1-NH2 3.28Å; E779-R804 PolarHBondContact OE1-NH2 2.78Å; L802-R804 HydrophobicContact CD2-CG 3.69Å; L802-R804 HydrophobicContact CG-CG 4.01Å
805T71.4Confident79.4Confident32 Ų3241 Ų4120%0.19620%0.2CC..EExtended strand (participates in β ladder)trans-125.1132.2-171.6-58.10000111.6T396 V776 I777 S778T396-T805 HydrophobicContact CG2-CG2 3.8Å; V776-T805 HydrophobicContact CB-CG2 3.51Å; V776-T805 HydrophobicContact CG1-CG2 4.06Å; V776-T805 HydrophobicContact CG2-CG2 3.59Å; I777-T805 WeakPolarHBondContact O-CA 3.47Å; S778-T805 PolarHBondContact OG-OG1 2.96Å
806K58.5Low79.1Confident111 Ų11138.8 Ų38.848%0.48319%0.188SC..EExtended strand (participates in β ladder)trans-129.5155.3-172-61.7162.2-176.5156.50111V776 I777 E779V776-K806 CarbonylContact C-O 3.48Å; V776-K806 WeakPolarHBondContact CA-O 3.46Å; V776-K806 WeakPolarHBondContact CB-O 3.35Å; I777-K806 HydrophobicContact CG2-CB 3.97Å; I777-K806 PolarHBondContact N-O 3.24Å; I777-K806 PolarHBondContact O-N 2.71Å; E779-K806 IonicContact OE2-NZ 2.7Å; E779-K806 PolarHBondContact OE2-NZ 2.7Å
807V52.4Low78.8Confident27 Ų2738.5 Ų38.516%0.16419%0.188CC..EExtended strand (participates in β ladder)trans-91150.8-176.5-174.60000112I764 Q774I764-V807 HydrophobicContact CD1-CG2 3.45Å; I764-V807 VanDerWaalsContact CD1-CG2 3.45Å; Q774-V807 HydrophobicContact CB-CG1 4.36Å
808M44.8Very low78.7Confident35 Ų3536 Ų3617%0.17218%0.177CC..  trans-110.8120.6173.7-112-78.6-69.700111.3C775 T1073C775-M808 PolarHBondContact O-N 3.05Å; M808-T1073 HydrophobicContact CE-CG2 4.17Å
809N49.4Very low78.8Confident73 Ų7336.6 Ų36.639%0.3918%0.179SC..  trans-15942.4-174.2-104.1-27.5000114Q1190 I1192N809-Q1190 HydrophobicContact CB-CG 4.04Å; N809-Q1190 VanDerWaalsContact CB-NE2 3.3Å; N809-Q1190 VanDerWaalsContact CB-OE1 3.31Å; N809-Q1190 PolarHBondContact O-NE2 2.68Å; N809-Q1190 VanDerWaalsContact O-NE2 3.16Å; N809-I1192 WeakPolarHBondContact ND2-CD1 3.46Å; N809-I1192 WeakPolarHBondContact ND2-CG1 3.15Å
810E69.7Low79.1Confident56 Ų5641.7 Ų41.726%0.26220%0.2SC..  trans-116.55.8-157.7-51.1-173.1-176.100116.7Y813 R814 I1187E810-Y813 PolarHBondContact O-N 2.78Å; E810-R814 HydrophobicContact CB-CG 4.17Å; E810-R814 WeakPolarHBondContact O-CG 3.18Å; E810-R814 PolarHBondContact O-N 3.29Å; E810-R814 IonicContact OE1-NH2 3.6Å; E810-R814 IonicContact OE2-CZ 2.98Å; E810-R814 IonicContact OE2-NE 3.86Å; E810-R814 PolarHBondContact OE2-NE 2.88Å; E810-R814 IonicContact OE2-NH2 3.62Å; E810-R814 PolarHBondContact OE2-NH2 3.42Å; E810-I1187 HydrophobicContact CB-CD1 4.21Å; E810-I1187 HydrophobicContact CG-CD1 3.52Å
811L82.5Confident79.3Confident31 Ų3141.5 Ų41.516%0.16220%0.196CC..Hα-helixtrans-57.2-65.9-167.2176.658.5000114.2Y813 R814 V815 L1058 L1064 F1067 V1068 I1077L811-Y813 PolarHBondContact O-N 2.86Å; L811-R814 PolarHBondContact O-N 3.37Å; L811-V815 HydrophobicContact CD1-CG2 3.96Å; L811-V815 HydrophobicContact CG-CG2 4.49Å; L811-V815 WeakPolarHBondContact O-CG2 3.35Å; L811-V815 PolarHBondContact O-N 2.64Å; L811-L1058 HydrophobicContact CD1-CD2 4.45Å; L811-L1064 HydrophobicContact CD1-CD1 3.96Å; L811-L1064 HydrophobicContact CD2-CD1 3.86Å; L811-F1067 HydrophobicContact CD1-CB 3.63Å; L811-F1067 HydrophobicContact CD1-CD2 4.41Å; L811-F1067 HydrophobicContact CD1-CG 4.21Å; L811-V1068 HydrophobicContact CD1-CG2 3.96Å; L811-I1077 HydrophobicContact CD2-CD1 4.29Å; L811-I1077 HydrophobicContact CD2-CG2 4.37Å
812Y84.8Confident79.3Confident21 Ų2140.3 Ų40.38%0.08219%0.19CC..Hα-helixtrans-65.7-21.7-175.7-75.4-82.5000113.3S816 V885 A1049 L1058Y812-S816 WeakPolarHBondContact O-CB 3.39Å; Y812-S816 PolarHBondContact O-N 3.35Å; Y812-S816 PolarHBondContact O-OG 3.35Å; Y812-V885 HydrophobicContact CD2-CG1 4.21Å; Y812-V885 HydrophobicContact CE1-CB 4.44Å; Y812-V885 HydrophobicContact CE2-CB 4.03Å; Y812-V885 HydrophobicContact CE2-CG1 3.85Å; Y812-V885 HydrophobicContact CE2-CG2 3.77Å; Y812-V885 WeakPolarHBondContact OH-CG2 3.09Å; Y812-A1049 HydrophobicContact CD1-CB 4.3Å; Y812-A1049 WeakPolarHBondContact CD1-O 3.32Å; Y812-A1049 VanDerWaalsContact CE1-O 3.28Å; Y812-A1049 WeakPolarHBondContact CE1-O 3.42Å; Y812-L1058 HydrophobicContact CE1-CD1 4.27Å
813Y84.2Confident79.4Confident11 Ų1140.7 Ų40.74%0.04320%0.196CC..Hα-helixtrans-68.4-49.3168.3173-95.4000112E810 L811 V815 S816 I817 F1046 L1180 N1183 K1186 I1187E810-Y813 PolarHBondContact O-N 2.78Å; L811-Y813 PolarHBondContact O-N 2.86Å; Y813-V815 PolarHBondContact O-N 3.24Å; Y813-S816 PolarHBondContact O-N 2.89Å; Y813-S816 PolarHBondContact O-OG 3.15Å; Y813-I817 HydrophobicContact CE1-CD1 4.42Å; Y813-I817 WeakPolarHBondContact O-CG1 3.25Å; Y813-I817 WeakPolarHBondContact O-CG2 3.44Å; Y813-I817 PolarHBondContact O-N 3.27Å; Y813-F1046 HydrophobicContact CD2-CE1 4.48Å; Y813-F1046 HydrophobicContact CD2-CZ 4.01Å; Y813-L1180 HydrophobicContact CD2-CD1 4.48Å; Y813-L1180 HydrophobicContact CD2-CD2 3.36Å; Y813-L1180 HydrophobicContact CE2-CD2 3.81Å; Y813-L1180 HydrophobicContact CG-CD1 4.16Å; Y813-L1180 HydrophobicContact CG-CD2 3.86Å; Y813-N1183 VanDerWaalsContact CE2-O 3.32Å; Y813-N1183 WeakPolarHBondContact CE2-O 3.19Å; Y813-N1183 VanDerWaalsContact CZ-O 3.23Å; Y813-N1183 PolarHBondContact OH-O 3.33Å; Y813-K1186 PolarHBondContact OH-N 2.84Å; Y813-K1186 PolarHBondContact OH-O 3.03Å; Y813-I1187 HydrophobicContact CD1-CD1 3.9Å; Y813-I1187 HydrophobicContact CD1-CG1 3.97Å; Y813-I1187 HydrophobicContact CE1-CD1 3.86Å; Y813-I1187 HydrophobicContact CE1-CG1 3.47Å; Y813-I1187 VanDerWaalsContact CE1-CG1 3.47Å; Y813-I1187 HydrophobicContact CE2-CG1 4.17Å; Y813-I1187 HydrophobicContact CG-CD1 4.46Å; Y813-I1187 HydrophobicContact CG-CG1 4.47Å
814R84.6Confident79.5Confident65 Ų6542 Ų4225%0.24521%0.211CC..Hα-helixtrans-63.7-27.8175-66.7173.6-177.8-173.53112.8E810 L811 F1067E810-R814 HydrophobicContact CB-CG 4.17Å; E810-R814 WeakPolarHBondContact O-CG 3.18Å; E810-R814 PolarHBondContact O-N 3.29Å; E810-R814 IonicContact OE1-NH2 3.6Å; E810-R814 IonicContact OE2-CZ 2.98Å; E810-R814 IonicContact OE2-NE 3.86Å; E810-R814 PolarHBondContact OE2-NE 2.88Å; E810-R814 IonicContact OE2-NH2 3.62Å; E810-R814 PolarHBondContact OE2-NH2 3.42Å; L811-R814 PolarHBondContact O-N 3.37Å; R814-F1067 HydrophobicContact CB-CB 4.41Å; R814-F1067 HydrophobicContact CB-CD1 3.89Å; R814-F1067 PolarHBondContact NH1-O 3.29Å; R814-F1067 WeakPolarHBondContact O-CE1 3.24Å
815V89.8Confident79.9Confident0 Ų039.9 Ų39.90%021%0.205CC..Hα-helixtrans-76.8-44.6176.2176.20000111.9L811 Y813 I817 D818 F821 I822 A1049 I1054 L1058 F1067L811-V815 HydrophobicContact CD1-CG2 3.96Å; L811-V815 HydrophobicContact CG-CG2 4.49Å; L811-V815 WeakPolarHBondContact O-CG2 3.35Å; L811-V815 PolarHBondContact O-N 2.64Å; Y813-V815 PolarHBondContact O-N 3.24Å; V815-I817 PolarHBondContact O-N 3.04Å; V815-D818 PolarHBondContact O-N 2.89Å; V815-D818 VanDerWaalsContact O-N 3.17Å; V815-F821 HydrophobicContact CG1-CD1 4.07Å; V815-F821 HydrophobicContact CG1-CE1 3.98Å; V815-I822 VanDerWaalsContact O-CD1 3.31Å; V815-I822 WeakPolarHBondContact O-CD1 3.24Å; V815-A1049 HydrophobicContact CB-CB 4.35Å; V815-A1049 HydrophobicContact CG1-CB 3.84Å; V815-I1054 HydrophobicContact CG1-CG2 3.76Å; V815-L1058 HydrophobicContact CG2-CD1 3.95Å; V815-L1058 HydrophobicContact CG2-CD2 4.07Å; V815-F1067 HydrophobicContact CB-CE1 4.47Å; V815-F1067 HydrophobicContact CB-CZ 4.47Å; V815-F1067 HydrophobicContact CG2-CD1 3.95Å; V815-F1067 HydrophobicContact CG2-CD2 3.71Å; V815-F1067 HydrophobicContact CG2-CE1 4Å; V815-F1067 HydrophobicContact CG2-CE2 3.77Å; V815-F1067 HydrophobicContact CG2-CG 3.8Å; V815-F1067 HydrophobicContact CG2-CZ 3.91Å
816S91Very high80.8Confident0 Ų038.4 Ų38.40%020%0.195CC..Hα-helixtrans-61.2-27.9-177.662.40000113.5Y812 Y813 Y843 W1043 G1045 F1046Y812-S816 WeakPolarHBondContact O-CB 3.39Å; Y812-S816 PolarHBondContact O-N 3.35Å; Y812-S816 PolarHBondContact O-OG 3.35Å; Y813-S816 PolarHBondContact O-N 2.89Å; Y813-S816 PolarHBondContact O-OG 3.15Å; S816-Y843 WeakPolarHBondContact O-CE2 3.25Å; S816-Y843 PolarHBondContact O-OH 3.32Å; S816-Y843 VanDerWaalsContact O-OH 3.13Å; S816-W1043 VanDerWaalsContact O-CZ2 3.32Å; S816-W1043 WeakPolarHBondContact O-CZ2 3.46Å; S816-G1045 VanDerWaalsContact CB-O 3.28Å; S816-G1045 WeakPolarHBondContact CB-O 3.33Å; S816-F1046 WeakPolarHBondContact OG-CD1 3.43Å; S816-F1046 WeakPolarHBondContact OG-CE1 3.42Å
817I88.5Confident82.1Confident38 Ų3835.5 Ų35.520%0.19519%0.192CC..THydrogen-bonded Turntrans-93.9-2.7-177.572.7179.8000113.8Y813 V815 K819 M847 M1184Y813-I817 HydrophobicContact CE1-CD1 4.42Å; Y813-I817 WeakPolarHBondContact O-CG1 3.25Å; Y813-I817 WeakPolarHBondContact O-CG2 3.44Å; Y813-I817 PolarHBondContact O-N 3.27Å; V815-I817 PolarHBondContact O-N 3.04Å; I817-K819 PolarHBondContact O-N 3.28Å; I817-M847 WeakPolarHBondContact O-CE 3.11Å; I817-M1184 HydrophobicContact CB-SD 3.43Å; I817-M1184 WeakPolarHBondContact CB-SD 3.38Å; I817-M1184 HydrophobicContact CG2-SD 3.21Å; I817-M1184 WeakPolarHBondContact CG2-SD 3.48Å
818D89.9Confident83.2Confident28 Ų2836 Ų3615%0.1519%0.194CC..  trans-95.890.9-177.8-169.6-38.7000110.7V815 E820 F821 I822 R1066 F1067V815-D818 PolarHBondContact O-N 2.89Å; V815-D818 VanDerWaalsContact O-N 3.17Å; D818-E820 PolarHBondContact O-N 3.15Å; D818-F821 HydrophobicContact CB-CB 4.01Å; D818-F821 VanDerWaalsContact CG-CB 3.45Å; D818-F821 PolarHBondContact O-N 3.24Å; D818-F821 WeakPolarHBondContact OD1-CB 3.2Å; D818-F821 PolarHBondContact OD1-N 3.07Å; D818-I822 PolarHBondContact O-N 3.1Å; D818-R1066 VanDerWaalsContact CG-NH2 3.31Å; D818-R1066 IonicContact OD1-CZ 3.2Å; D818-R1066 IonicContact OD1-NE 2.9Å; D818-R1066 IonicContact OD1-NH2 2.8Å; D818-R1066 PolarHBondContact OD1-NH2 2.93Å; D818-R1066 IonicContact OD2-CZ 3.37Å; D818-R1066 IonicContact OD2-NE 2.61Å; D818-R1066 PolarHBondContact OD2-NE 2.85Å; D818-R1066 IonicContact OD2-NH2 2.73Å; D818-R1066 PolarHBondContact OD2-NH2 3.19Å; D818-R1066 VanDerWaalsContact OD2-NH2 3.1Å; D818-F1067 HydrophobicContact CB-CE1 3.75Å; D818-F1067 HydrophobicContact CB-CZ 4.17Å; D818-F1067 VanDerWaalsContact OD2-CE1 3.28Å; D818-F1067 WeakPolarHBondContact OD2-CE1 3.3Å
819K92Very high85Confident56 Ų5634.4 Ų34.424%0.24319%0.186CC..Hα-helixtrans-56.4-48.8-175.6-178.2-173.2179.9177.40112.2I817 F821 I822 A823 Y843 L844 M847 N848I817-K819 PolarHBondContact O-N 3.28Å; K819-F821 VanDerWaalsContact C-N 3.33Å; K819-F821 PolarHBondContact O-N 2.65Å; K819-I822 PolarHBondContact O-N 3.45Å; K819-A823 WeakPolarHBondContact O-CB 3.37Å; K819-A823 PolarHBondContact O-N 3.11Å; K819-Y843 WeakPolarHBondContact CA-OH 3.17Å; K819-Y843 PolarHBondContact N-OH 2.94Å; K819-L844 HydrophobicContact CG-CD2 4.24Å; K819-M847 HydrophobicContact CB-CE 3.87Å; K819-M847 HydrophobicContact CD-CB 4.06Å; K819-M847 HydrophobicContact CG-CB 4.19Å; K819-M847 HydrophobicContact CG-CG 4.46Å; K819-N848 PolarHBondContact NZ-OD1 2.82Å
820E91.7Very high86.7Confident118 Ų11832.2 Ų32.255%0.55118%0.178SC*.Hα-helixtrans-66.5-38.6-176.1-65.864.8-138.500110.6D818 S824D818-E820 PolarHBondContact O-N 3.15Å; E820-S824 VanDerWaalsContact O-CB 3.24Å; E820-S824 WeakPolarHBondContact O-CB 3.03Å; E820-S824 PolarHBondContact O-N 3.15Å; E820-S824 PolarHBondContact O-OG 3.32Å
821F92Very high87.3Confident9 Ų935 Ų354%0.03920%0.199CC..Hα-helixtrans-68.9-48.4176.3-176.8-100.8000112.4V815 D818 K819 S824 C825 I1054 T1057 L1058 N1063 F1067V815-F821 HydrophobicContact CG1-CD1 4.07Å; V815-F821 HydrophobicContact CG1-CE1 3.98Å; D818-F821 HydrophobicContact CB-CB 4.01Å; D818-F821 VanDerWaalsContact CG-CB 3.45Å; D818-F821 PolarHBondContact O-N 3.24Å; D818-F821 WeakPolarHBondContact OD1-CB 3.2Å; D818-F821 PolarHBondContact OD1-N 3.07Å; K819-F821 VanDerWaalsContact C-N 3.33Å; K819-F821 PolarHBondContact O-N 2.65Å; F821-S824 PolarHBondContact O-OG 3.09Å; F821-C825 WeakPolarHBondContact O-CB 3.4Å; F821-C825 PolarHBondContact O-N 3.44Å; F821-I1054 HydrophobicContact CD1-CD1 4.06Å; F821-I1054 HydrophobicContact CE1-CD1 3.67Å; F821-I1054 HydrophobicContact CE1-CG2 4.31Å; F821-T1057 HydrophobicContact CE2-CG2 3.76Å; F821-T1057 HydrophobicContact CZ-CG2 3.58Å; F821-L1058 HydrophobicContact CE1-CD2 4.36Å; F821-L1058 HydrophobicContact CZ-CD2 4.07Å; F821-L1058 HydrophobicContact CZ-CG 4.43Å; F821-N1063 HydrophobicContact CE2-CB 4.35Å; F821-F1067 HydrophobicContact CB-CZ 3.96Å; F821-F1067 AromaticContact CD1-CE2 3.86Å; F821-F1067 HydrophobicContact CD1-CE2 3.86Å; F821-F1067 AromaticContact CD1-CZ 3.54Å; F821-F1067 HydrophobicContact CD1-CZ 3.54Å; F821-F1067 HydrophobicContact CD2-CE2 4.03Å; F821-F1067 AromaticContact CD2-CZ 3.98Å; F821-F1067 HydrophobicContact CD2-CZ 3.98Å; F821-F1067 AromaticContact CE1-CE2 3.76Å; F821-F1067 HydrophobicContact CE1-CE2 3.76Å; F821-F1067 AromaticContact CE1-CZ 3.94Å; F821-F1067 HydrophobicContact CE1-CZ 3.94Å; F821-F1067 AromaticContact CE2-CE2 3.94Å; F821-F1067 HydrophobicContact CE2-CE2 3.94Å; F821-F1067 HydrophobicContact CE2-CZ 4.35Å; F821-F1067 AromaticContact CG-CE2 3.98Å; F821-F1067 HydrophobicContact CG-CE2 3.98Å; F821-F1067 AromaticContact CG-CZ 3.55Å; F821-F1067 HydrophobicContact CG-CZ 3.55Å; F821-F1067 AromaticContact CZ-CE2 3.8Å; F821-F1067 HydrophobicContact CZ-CE2 3.8Å; F821-F1067 HydrophobicContact CZ-CZ 4.33Å
822I91.5Very high87Confident0 Ų034.9 Ų34.90%020%0.202CC..Hα-helixtrans-62.3-47.1178.4-76.1-178.3000110.8V815 D818 K819 C825 L826 L840 Y843 L1048 I1054V815-I822 VanDerWaalsContact O-CD1 3.31Å; V815-I822 WeakPolarHBondContact O-CD1 3.24Å; D818-I822 PolarHBondContact O-N 3.1Å; K819-I822 PolarHBondContact O-N 3.45Å; I822-C825 PolarHBondContact O-N 3.12Å; I822-L826 HydrophobicContact CG2-CD1 4.09Å; I822-L826 WeakPolarHBondContact O-CB 3.18Å; I822-L826 WeakPolarHBondContact O-CG 3.35Å; I822-L826 PolarHBondContact O-N 3.06Å; I822-L826 VanDerWaalsContact O-N 3.08Å; I822-L840 HydrophobicContact CG2-CD1 4.03Å; I822-Y843 HydrophobicContact CB-CE1 3.96Å; I822-Y843 HydrophobicContact CD1-CE2 3.99Å; I822-Y843 HydrophobicContact CG2-CD1 3.94Å; I822-Y843 HydrophobicContact CG2-CE1 3.65Å; I822-L1048 HydrophobicContact CD1-CB 4.42Å; I822-L1048 HydrophobicContact CG2-CB 4.19Å; I822-L1048 HydrophobicContact CG2-CD1 3.92Å; I822-I1054 HydrophobicContact CG1-CD1 4.29Å
823A92.6Very high86.9Confident28 Ų2834.8 Ų34.823%0.23120%0.203CC..Hα-helixtrans-63.5-46.6-179.500000112.2K819 A827 L844K819-A823 WeakPolarHBondContact O-CB 3.37Å; K819-A823 PolarHBondContact O-N 3.11Å; A823-A827 WeakPolarHBondContact O-CB 3.41Å; A823-A827 PolarHBondContact O-N 2.92Å; A823-L844 HydrophobicContact CB-CD2 4.33Å
824S89.6Confident87Confident84 Ų8438.9 Ų38.959%0.58723%0.231SC*.Hα-helixtrans-68.7-37.517958.30000113.1E820 F821 L826E820-S824 VanDerWaalsContact O-CB 3.24Å; E820-S824 WeakPolarHBondContact O-CB 3.03Å; E820-S824 PolarHBondContact O-N 3.15Å; E820-S824 PolarHBondContact O-OG 3.32Å; F821-S824 PolarHBondContact O-OG 3.09Å; S824-L826 VanDerWaalsContact C-N 3.33Å; S824-L826 PolarHBondContact O-N 3.3Å
825C87.8Confident87.1Confident15 Ų1536.3 Ų36.310%0.10122%0.222CC..Hα-helixtrans-72.2-25.2-179.5-175.30000113.2F821 I822 I1054 T1057F821-C825 WeakPolarHBondContact O-CB 3.4Å; F821-C825 PolarHBondContact O-N 3.44Å; I822-C825 PolarHBondContact O-N 3.12Å; C825-I1054 HydrophobicContact CB-CD1 3.77Å; C825-I1054 VanDerWaalsContact SG-CD1 3.56Å; C825-T1057 PolarHBondContact SG-OG1 3.04Å
826L88.8Confident87.1Confident0 Ų036.5 Ų36.50%022%0.222CC..Hα-helixtrans-107.7-2.7-178.8-59.6-177.7000114.1I822 S824 D828 I829 A830 I836 L840 L1048 V1051 K1053 I1054I822-L826 HydrophobicContact CG2-CD1 4.09Å; I822-L826 WeakPolarHBondContact O-CB 3.18Å; I822-L826 WeakPolarHBondContact O-CG 3.35Å; I822-L826 PolarHBondContact O-N 3.06Å; I822-L826 VanDerWaalsContact O-N 3.08Å; S824-L826 VanDerWaalsContact C-N 3.33Å; S824-L826 PolarHBondContact O-N 3.3Å; L826-D828 PolarHBondContact O-N 3.48Å; L826-I829 HydrophobicContact CD2-CD1 4.13Å; L826-I829 PolarHBondContact O-N 2.55Å; L826-A830 WeakPolarHBondContact O-CB 3.45Å; L826-A830 PolarHBondContact O-N 3.48Å; L826-I836 HydrophobicContact CB-CG2 4.44Å; L826-I836 HydrophobicContact CD1-CG2 4.3Å; L826-L840 HydrophobicContact CB-CD2 4.27Å; L826-L1048 HydrophobicContact CD1-CB 4.14Å; L826-L1048 HydrophobicContact CD1-CD2 3.79Å; L826-L1048 HydrophobicContact CD1-CG 4.38Å; L826-V1051 HydrophobicContact CD2-CG1 4.2Å; L826-K1053 HydrophobicContact CD2-CB 4.23Å; L826-K1053 HydrophobicContact CD2-CG 4.43Å; L826-I1054 HydrophobicContact CD2-CG1 4.33Å
827A85.8Confident87.1Confident50 Ų5037.9 Ų37.941%0.41323%0.234SC..Hα-helixtrans-57.3-51.6-177.900000113.4A823 I829 A830A823-A827 WeakPolarHBondContact O-CB 3.41Å; A823-A827 PolarHBondContact O-N 2.92Å; A827-I829 VanDerWaalsContact C-N 3.28Å; A827-I829 PolarHBondContact O-N 3.29Å; A827-A830 PolarHBondContact O-N 2.63Å
828D76.6Confident87.3Confident38 Ų3839.9 Ų39.920%0.20324%0.241CC..Hα-helixtrans-61.6-38.9177.4-81.8-2.5000110.9L826 V831 D1088 R1089 Q1141L826-D828 PolarHBondContact O-N 3.48Å; D828-V831 WeakPolarHBondContact O-CB 3.27Å; D828-V831 PolarHBondContact O-N 3.01Å; D828-D1088 HydrophobicContact CB-CB 4.26Å; D828-R1089 WeakPolarHBondContact OD2-CB 3.22Å; D828-R1089 WeakPolarHBondContact OD2-CG 3.49Å; D828-R1089 PolarHBondContact OD2-N 3.23Å; D828-Q1141 PolarHBondContact O-OE1 2.89Å
829I81.8Confident87.5Confident2 Ų238.6 Ų38.61%0.0123%0.234CC..Hα-helixtrans-67.6-38.7179.5-74.2171.1000112.3L826 A827 V831 A832 D833 I836 K1053 L1115L826-I829 HydrophobicContact CD2-CD1 4.13Å; L826-I829 PolarHBondContact O-N 2.55Å; A827-I829 VanDerWaalsContact C-N 3.28Å; A827-I829 PolarHBondContact O-N 3.29Å; I829-V831 PolarHBondContact O-N 3.48Å; I829-V831 VanDerWaalsContact O-N 3.11Å; I829-A832 CarbonylContact O-C 3.47Å; I829-A832 PolarHBondContact O-N 2.9Å; I829-D833 HydrophobicContact CG2-CB 4.28Å; I829-D833 PolarHBondContact O-N 3.31Å; I829-I836 HydrophobicContact CG2-CB 3.86Å; I829-I836 HydrophobicContact CG2-CG1 3.92Å; I829-I836 HydrophobicContact CG2-CG2 3.68Å; I829-K1053 HydrophobicContact CD1-CB 3.29Å; I829-K1053 HydrophobicContact CD1-CD 4.02Å; I829-K1053 HydrophobicContact CD1-CG 3.37Å; I829-L1115 HydrophobicContact CB-CD1 4.27Å; I829-L1115 HydrophobicContact CD1-CD1 3.64Å; I829-L1115 HydrophobicContact CD1-CD2 3.99Å; I829-L1115 HydrophobicContact CD1-CG 4.49Å; I829-L1115 HydrophobicContact CG1-CD1 3.86Å; I829-L1115 HydrophobicContact CG2-CD1 3.41Å; I829-L1115 VanDerWaalsContact CG2-CD1 3.41Å
830A84.7Confident87.6Confident27 Ų2736.6 Ų36.622%0.22323%0.227CC..Hα-helixtrans-62.9-16.7178.200000112.9L826 A827 A837 L840L826-A830 WeakPolarHBondContact O-CB 3.45Å; L826-A830 PolarHBondContact O-N 3.48Å; A827-A830 PolarHBondContact O-N 2.63Å; A830-A837 HydrophobicContact CB-CB 4.01Å; A830-A837 WeakPolarHBondContact O-CB 3.43Å; A830-L840 HydrophobicContact CB-CD2 4.12Å
831V82.3Confident87.8Confident115 Ų11534.7 Ų34.770%0.69722%0.22SC*.Hα-helixtrans-79.2-32.7170.7-176.10000111.8D828 I829D828-V831 WeakPolarHBondContact O-CB 3.27Å; D828-V831 PolarHBondContact O-N 3.01Å; I829-V831 PolarHBondContact O-N 3.48Å; I829-V831 VanDerWaalsContact O-N 3.11Å
832A77.3Confident88Confident28 Ų2834.5 Ų34.523%0.23122%0.219CC..Hα-helixtrans-94.7-28.6-176.200000114.2I829 T1138 Q1141I829-A832 CarbonylContact O-C 3.47Å; I829-A832 PolarHBondContact O-N 2.9Å; A832-T1138 HydrophobicContact CB-CG2 4.17Å; A832-T1138 WeakPolarHBondContact CB-O 3.36Å; A832-Q1141 HydrophobicContact CB-CB 4.1Å
833D81.6Confident88.1Confident19 Ų1934.5 Ų34.510%0.10222%0.219CC..  trans-124101.8-176.5-168.6-26.3000111.5I829 F835 I836 A837I829-D833 HydrophobicContact CG2-CB 4.28Å; I829-D833 PolarHBondContact O-N 3.31Å; D833-F835 PolarHBondContact O-N 3.45Å; D833-F835 VanDerWaalsContact OD1-CB 3.24Å; D833-F835 WeakPolarHBondContact OD1-CB 3.12Å; D833-F835 PolarHBondContact OD1-N 3.44Å; D833-I836 HydrophobicContact CB-CB 4.21Å; D833-I836 HydrophobicContact CB-CG1 4.02Å; D833-I836 PolarHBondContact O-N 3.49Å; D833-I836 PolarHBondContact OD1-N 3.01Å; D833-A837 PolarHBondContact O-N 3.42Å
834P86.5Confident88.3Confident96 Ų9635.5 Ų35.562%0.62322%0.221SC*.Hα-helixtrans-59.5-24.2178-25.935.3000114.8K838P834-K838 PolarHBondContact O-N 2.7Å; P834-K838 VanDerWaalsContact O-N 3.13Å
835F88.1Confident88.5Confident12 Ų1232.4 Ų32.45%0.05320%0.2CC..Hα-helixtrans-71.1-49.1176.4175.2-104.6000110.2D833 A837 K838 L839 P1018 F1021 W1027D833-F835 PolarHBondContact O-N 3.45Å; D833-F835 VanDerWaalsContact OD1-CB 3.24Å; D833-F835 WeakPolarHBondContact OD1-CB 3.12Å; D833-F835 PolarHBondContact OD1-N 3.44Å; F835-A837 VanDerWaalsContact C-N 3.28Å; F835-A837 PolarHBondContact O-N 2.92Å; F835-K838 PolarHBondContact O-N 3.29Å; F835-L839 HydrophobicContact CD1-CD1 3.88Å; F835-L839 HydrophobicContact CE1-CD1 3.47Å; F835-L839 VanDerWaalsContact CE1-CD1 3.47Å; F835-L839 HydrophobicContact CE1-CG 4.45Å; F835-L839 HydrophobicContact CE2-CD1 4.38Å; F835-L839 HydrophobicContact CZ-CD1 3.75Å; F835-L839 HydrophobicContact CZ-CG 4.43Å; F835-L839 WeakPolarHBondContact O-CG 3.27Å; F835-L839 PolarHBondContact O-N 3.14Å; F835-P1018 HydrophobicContact CB-CB 4.4Å; F835-P1018 HydrophobicContact CB-CG 3.9Å; F835-P1018 HydrophobicContact CD1-CG 4.34Å; F835-P1018 HydrophobicContact CD2-CB 4.1Å; F835-P1018 HydrophobicContact CD2-CG 3.94Å; F835-P1018 HydrophobicContact CG-CB 4.4Å; F835-P1018 HydrophobicContact CG-CG 3.83Å; F835-F1021 HydrophobicContact CE2-CD2 4.01Å; F835-F1021 AromaticContact CE2-CE2 3.61Å; F835-F1021 HydrophobicContact CE2-CE2 3.61Å; F835-F1021 HydrophobicContact CE2-CZ 4.32Å; F835-F1021 HydrophobicContact CZ-CE2 4.44Å; F835-W1027 AromaticContact CD2-CH2 3.63Å; F835-W1027 HydrophobicContact CD2-CH2 3.63Å; F835-W1027 AromaticContact CD2-CZ2 3.75Å; F835-W1027 HydrophobicContact CD2-CZ2 3.75Å; F835-W1027 AromaticContact CE2-CH2 3.93Å; F835-W1027 HydrophobicContact CE2-CH2 3.93Å; F835-W1027 HydrophobicContact CE2-CZ2 4.25Å; F835-W1027 HydrophobicContact CG-CH2 4.47Å
836I89.3Confident88.8Confident3 Ų331.7 Ų31.72%0.01520%0.195CC..Hα-helixtrans-62.3-37.9174.3-57.9-62.5000110.9L826 I829 D833 K838 L839 L840 V1051L826-I836 HydrophobicContact CB-CG2 4.44Å; L826-I836 HydrophobicContact CD1-CG2 4.3Å; I829-I836 HydrophobicContact CG2-CB 3.86Å; I829-I836 HydrophobicContact CG2-CG1 3.92Å; I829-I836 HydrophobicContact CG2-CG2 3.68Å; D833-I836 HydrophobicContact CB-CB 4.21Å; D833-I836 HydrophobicContact CB-CG1 4.02Å; D833-I836 PolarHBondContact O-N 3.49Å; D833-I836 PolarHBondContact OD1-N 3.01Å; I836-K838 PolarHBondContact O-N 2.84Å; I836-L839 HydrophobicContact CD1-CD1 4.43Å; I836-L839 PolarHBondContact O-N 3.3Å; I836-L840 VanDerWaalsContact O-CB 3.29Å; I836-L840 WeakPolarHBondContact O-CB 3.38Å; I836-L840 PolarHBondContact O-N 3.38Å; I836-V1051 HydrophobicContact CD1-CG1 4.4Å; I836-V1051 HydrophobicContact CD1-CG2 4.02Å
837A91.1Very high88.9Confident30 Ų3032.3 Ų32.325%0.24820%0.198CC..Hα-helixtrans-57.8-48.3176.100000112.8A830 D833 F835 L840 D841A830-A837 HydrophobicContact CB-CB 4.01Å; A830-A837 WeakPolarHBondContact O-CB 3.43Å; D833-A837 PolarHBondContact O-N 3.42Å; F835-A837 VanDerWaalsContact C-N 3.28Å; F835-A837 PolarHBondContact O-N 2.92Å; A837-L840 PolarHBondContact O-N 3.5Å; A837-D841 PolarHBondContact O-N 3.43Å
838K93Very high89.2Confident80 Ų8035 Ų3535%0.34821%0.206SC..Hα-helixtrans-68.4-37.4177.7-73.4-172.4177.5-176.80112.8P834 F835 I836 L840 D841 I842 D1024 W1027P834-K838 PolarHBondContact O-N 2.7Å; P834-K838 VanDerWaalsContact O-N 3.13Å; F835-K838 PolarHBondContact O-N 3.29Å; I836-K838 PolarHBondContact O-N 2.84Å; K838-L840 VanDerWaalsContact C-N 3.33Å; K838-D841 PolarHBondContact O-N 3.08Å; K838-I842 WeakPolarHBondContact O-CG1 3.29Å; K838-I842 PolarHBondContact O-N 2.94Å; K838-I842 VanDerWaalsContact O-N 3.16Å; K838-D1024 IonicContact NZ-OD1 3.76Å; K838-D1024 PolarHBondContact NZ-OD1 3.12Å; K838-W1027 HydrophobicContact CB-CD2 4.12Å; K838-W1027 HydrophobicContact CB-CE3 3.68Å; K838-W1027 HydrophobicContact CB-CH2 3.57Å; K838-W1027 HydrophobicContact CB-CZ2 4Å; K838-W1027 HydrophobicContact CB-CZ3 3.39Å; K838-W1027 HydrophobicContact CD-CD2 3.52Å; K838-W1027 HydrophobicContact CD-CE3 3.99Å; K838-W1027 HydrophobicContact CD-CG 3.9Å; K838-W1027 HydrophobicContact CD-CH2 4.22Å; K838-W1027 HydrophobicContact CD-CZ2 3.78Å; K838-W1027 HydrophobicContact CD-CZ3 4.32Å; K838-W1027 HydrophobicContact CG-CD2 4.46Å; K838-W1027 HydrophobicContact CG-CE3 4.47Å
839L93.7Very high89.7Confident0 Ų033.9 Ų33.90%020%0.201CC..Hα-helixtrans-63.4-40173.1-67.4176.4000111.6F835 I836 I842 Y843 W1027 L1030 I1044 L1048F835-L839 HydrophobicContact CD1-CD1 3.88Å; F835-L839 HydrophobicContact CE1-CD1 3.47Å; F835-L839 VanDerWaalsContact CE1-CD1 3.47Å; F835-L839 HydrophobicContact CE1-CG 4.45Å; F835-L839 HydrophobicContact CE2-CD1 4.38Å; F835-L839 HydrophobicContact CZ-CD1 3.75Å; F835-L839 HydrophobicContact CZ-CG 4.43Å; F835-L839 WeakPolarHBondContact O-CG 3.27Å; F835-L839 PolarHBondContact O-N 3.14Å; I836-L839 HydrophobicContact CD1-CD1 4.43Å; I836-L839 PolarHBondContact O-N 3.3Å; L839-I842 PolarHBondContact O-N 2.95Å; L839-Y843 WeakPolarHBondContact O-CB 3.34Å; L839-Y843 PolarHBondContact O-N 3.13Å; L839-W1027 HydrophobicContact CD2-CH2 4.2Å; L839-W1027 HydrophobicContact CD2-CZ3 3.91Å; L839-W1027 HydrophobicContact CG-CH2 4.23Å; L839-W1027 HydrophobicContact CG-CZ3 4.24Å; L839-L1030 HydrophobicContact CD2-CD2 4.09Å; L839-I1044 HydrophobicContact CB-CD1 3.89Å; L839-I1044 HydrophobicContact CD2-CD1 3.47Å; L839-I1044 VanDerWaalsContact CD2-CD1 3.47Å; L839-I1044 HydrophobicContact CG-CD1 4.2Å; L839-I1044 WeakPolarHBondContact O-CG1 3.32Å; L839-L1048 HydrophobicContact CB-CD2 3.82Å; L839-L1048 HydrophobicContact CD1-CD2 4.49Å
840L94.1Very high89.8Confident15 Ų1539 Ų398%0.07924%0.244CC..Hα-helixtrans-68.2-38.1177.2-176.361.7000112.2I822 L826 A830 I836 A837 K838 Y843 L844 L1048I822-L840 HydrophobicContact CG2-CD1 4.03Å; L826-L840 HydrophobicContact CB-CD2 4.27Å; A830-L840 HydrophobicContact CB-CD2 4.12Å; I836-L840 VanDerWaalsContact O-CB 3.29Å; I836-L840 WeakPolarHBondContact O-CB 3.38Å; I836-L840 PolarHBondContact O-N 3.38Å; A837-L840 PolarHBondContact O-N 3.5Å; K838-L840 VanDerWaalsContact C-N 3.33Å; L840-Y843 HydrophobicContact CD1-CD1 4.09Å; L840-Y843 PolarHBondContact O-N 2.97Å; L840-L844 HydrophobicContact CD1-CD1 4.42Å; L840-L844 HydrophobicContact CD1-CG 4.3Å; L840-L844 HydrophobicContact CG-CD1 4.12Å; L840-L844 HydrophobicContact CG-CG 4.44Å; L840-L844 WeakPolarHBondContact O-CB 3.37Å; L840-L844 VanDerWaalsContact O-CG 3.27Å; L840-L844 WeakPolarHBondContact O-CG 3.31Å; L840-L844 PolarHBondContact O-N 3.49Å; L840-L1048 HydrophobicContact CD1-CD1 4.26Å
841D95.4Very high89.7Confident77 Ų7740.1 Ų40.141%0.41225%0.246SC..Hα-helixtrans-60.6-45.9172.7178.471000111.9A837 K838 Y843 L844 A845 R1031A837-D841 PolarHBondContact O-N 3.43Å; K838-D841 PolarHBondContact O-N 3.08Å; D841-Y843 PolarHBondContact O-N 2.84Å; D841-L844 PolarHBondContact O-N 2.81Å; D841-A845 WeakPolarHBondContact O-CB 3.4Å; D841-A845 PolarHBondContact O-N 2.71Å; D841-R1031 IonicContact OD2-CZ 2.6Å; D841-R1031 IonicContact OD2-NH1 3.86Å; D841-R1031 PolarHBondContact OD2-NH1 3.14Å; D841-R1031 IonicContact OD2-NH2 3.97Å
842I95.4Very high89.6Confident6 Ų636.5 Ų36.53%0.03122%0.221CC..Hα-helixtrans-63.3-42.8176.6-64.8171.8000110.8K838 L839 A845 V846 W1027 L1030 R1031 E1034 I1044K838-I842 WeakPolarHBondContact O-CG1 3.29Å; K838-I842 PolarHBondContact O-N 2.94Å; K838-I842 VanDerWaalsContact O-N 3.16Å; L839-I842 PolarHBondContact O-N 2.95Å; I842-A845 WeakPolarHBondContact O-CB 3.35Å; I842-A845 PolarHBondContact O-N 3.23Å; I842-V846 WeakPolarHBondContact O-CG2 3.32Å; I842-V846 PolarHBondContact O-N 3.48Å; I842-W1027 HydrophobicContact CD1-CE3 4Å; I842-W1027 HydrophobicContact CD1-CZ3 4.34Å; I842-L1030 HydrophobicContact CD1-CB 4.38Å; I842-L1030 HydrophobicContact CD1-CD2 4.03Å; I842-L1030 HydrophobicContact CD1-CG 4.07Å; I842-R1031 HydrophobicContact CD1-CB 4.13Å; I842-R1031 HydrophobicContact CG1-CB 4.09Å; I842-R1031 HydrophobicContact CG1-CG 4.24Å; I842-E1034 HydrophobicContact CG2-CB 3.78Å; I842-E1034 HydrophobicContact CG2-CG 3.91Å; I842-I1044 HydrophobicContact CG2-CG1 4.38Å; I842-I1044 HydrophobicContact CG2-CG2 4.49Å
843Y95.3Very high89.7Confident0 Ų035.7 Ų35.70%021%0.212CC..Hα-helixtrans-58.9-48174.2172.6-97.1000112.3S816 K819 I822 L839 L840 D841 A845 V846 M847 W1043 I1044 L1048S816-Y843 WeakPolarHBondContact O-CE2 3.25Å; S816-Y843 PolarHBondContact O-OH 3.32Å; S816-Y843 VanDerWaalsContact O-OH 3.13Å; K819-Y843 WeakPolarHBondContact CA-OH 3.17Å; K819-Y843 PolarHBondContact N-OH 2.94Å; I822-Y843 HydrophobicContact CB-CE1 3.96Å; I822-Y843 HydrophobicContact CD1-CE2 3.99Å; I822-Y843 HydrophobicContact CG2-CD1 3.94Å; I822-Y843 HydrophobicContact CG2-CE1 3.65Å; L839-Y843 WeakPolarHBondContact O-CB 3.34Å; L839-Y843 PolarHBondContact O-N 3.13Å; L840-Y843 HydrophobicContact CD1-CD1 4.09Å; L840-Y843 PolarHBondContact O-N 2.97Å; D841-Y843 PolarHBondContact O-N 2.84Å; Y843-A845 VanDerWaalsContact C-N 3.31Å; Y843-A845 PolarHBondContact O-N 3.18Å; Y843-V846 PolarHBondContact O-N 3.47Å; Y843-M847 HydrophobicContact CD1-CG 4.1Å; Y843-M847 HydrophobicContact CD2-CG 4.19Å; Y843-M847 HydrophobicContact CE1-CG 3.68Å; Y843-M847 HydrophobicContact CE2-CG 3.79Å; Y843-M847 HydrophobicContact CE2-SD 4.15Å; Y843-M847 HydrophobicContact CG-CG 4.34Å; Y843-M847 WeakPolarHBondContact O-CG 3.29Å; Y843-M847 PolarHBondContact O-N 3.31Å; Y843-W1043 AromaticContact CD2-CH2 3.87Å; Y843-W1043 HydrophobicContact CD2-CH2 3.87Å; Y843-W1043 AromaticContact CD2-CZ3 3.9Å; Y843-W1043 HydrophobicContact CD2-CZ3 3.9Å; Y843-W1043 AromaticContact CE2-CH2 3.48Å; Y843-W1043 HydrophobicContact CE2-CH2 3.48Å; Y843-W1043 VanDerWaalsContact CE2-CH2 3.48Å; Y843-W1043 HydrophobicContact CE2-CZ2 4.27Å; Y843-W1043 HydrophobicContact CE2-CZ3 4Å; Y843-I1044 HydrophobicContact CD2-CG2 4.28Å; Y843-L1048 HydrophobicContact CD1-CD1 4.15Å; Y843-L1048 HydrophobicContact CD2-CD1 3.94Å; Y843-L1048 HydrophobicContact CG-CD1 3.56Å
844L96.1Very high89.7Confident49 Ų4940.3 Ų40.326%0.25723%0.233SC..Hα-helixtrans-64.3-36.6178-71172.4000111.6K819 A823 L840 D841 M847 N848K819-L844 HydrophobicContact CG-CD2 4.24Å; A823-L844 HydrophobicContact CB-CD2 4.33Å; L840-L844 HydrophobicContact CD1-CD1 4.42Å; L840-L844 HydrophobicContact CD1-CG 4.3Å; L840-L844 HydrophobicContact CG-CD1 4.12Å; L840-L844 HydrophobicContact CG-CG 4.44Å; L840-L844 WeakPolarHBondContact O-CB 3.37Å; L840-L844 VanDerWaalsContact O-CG 3.27Å; L840-L844 WeakPolarHBondContact O-CG 3.31Å; L840-L844 PolarHBondContact O-N 3.49Å; D841-L844 PolarHBondContact O-N 2.81Å; L844-M847 PolarHBondContact O-N 2.95Å; L844-N848 VanDerWaalsContact O-CB 3.22Å; L844-N848 WeakPolarHBondContact O-CB 3.4Å; L844-N848 PolarHBondContact O-N 2.91Å; L844-N848 PolarHBondContact O-ND2 3.27Å
845A94.6Very high89.6Confident18 Ų1836.6 Ų36.615%0.14921%0.207CC..Hα-helixtrans-61.8-43.2173.200000112.2D841 I842 Y843 N848 S849 M1035D841-A845 WeakPolarHBondContact O-CB 3.4Å; D841-A845 PolarHBondContact O-N 2.71Å; I842-A845 WeakPolarHBondContact O-CB 3.35Å; I842-A845 PolarHBondContact O-N 3.23Å; Y843-A845 VanDerWaalsContact C-N 3.31Å; Y843-A845 PolarHBondContact O-N 3.18Å; A845-N848 PolarHBondContact O-N 2.78Å; A845-S849 PolarHBondContact O-N 3.45Å; A845-M1035 HydrophobicContact CB-SD 4.26Å
846V92.6Very high89.7Confident0 Ų037.7 Ų37.70%021%0.213CC..Hα-helixtrans-65.1-49.2173.6175.90000110.8I842 Y843 N848 S849 H852 E1034 M1035 W1043 I1044I842-V846 WeakPolarHBondContact O-CG2 3.32Å; I842-V846 PolarHBondContact O-N 3.48Å; Y843-V846 PolarHBondContact O-N 3.47Å; V846-N848 PolarHBondContact O-N 3.03Å; V846-N848 VanDerWaalsContact O-N 3.13Å; V846-S849 WeakPolarHBondContact O-CB 3.39Å; V846-S849 PolarHBondContact O-N 3.29Å; V846-S849 PolarHBondContact O-OG 3.42Å; V846-H852 WeakPolarHBondContact O-CB 3.49Å; V846-E1034 HydrophobicContact CG2-CB 3.89Å; V846-M1035 HydrophobicContact CG2-SD 3.94Å; V846-W1043 HydrophobicContact CB-CZ3 4.44Å; V846-W1043 HydrophobicContact CG1-CE3 4.29Å; V846-W1043 HydrophobicContact CG1-CZ3 3.9Å; V846-I1044 HydrophobicContact CG2-CG2 4.42Å
847M91.3Very high89.8Confident14 Ų1437.6 Ų37.67%0.06921%0.213CC..Hα-helixtrans-67.1-11179.7-64.7-57.2-75.900114.3I817 K819 Y843 L844 W1043 M1184I817-M847 WeakPolarHBondContact O-CE 3.11Å; K819-M847 HydrophobicContact CB-CE 3.87Å; K819-M847 HydrophobicContact CD-CB 4.06Å; K819-M847 HydrophobicContact CG-CB 4.19Å; K819-M847 HydrophobicContact CG-CG 4.46Å; Y843-M847 HydrophobicContact CD1-CG 4.1Å; Y843-M847 HydrophobicContact CD2-CG 4.19Å; Y843-M847 HydrophobicContact CE1-CG 3.68Å; Y843-M847 HydrophobicContact CE2-CG 3.79Å; Y843-M847 HydrophobicContact CE2-SD 4.15Å; Y843-M847 HydrophobicContact CG-CG 4.34Å; Y843-M847 WeakPolarHBondContact O-CG 3.29Å; Y843-M847 PolarHBondContact O-N 3.31Å; L844-M847 PolarHBondContact O-N 2.95Å; M847-W1043 HydrophobicContact SD-CH2 3.77Å; M847-W1043 HydrophobicContact SD-CZ3 4.34Å; M847-M1184 HydrophobicContact CE-CE 3.96Å; M847-M1184 HydrophobicContact SD-CE 3.27Å; M847-M1184 WeakPolarHBondContact SD-CE 3.44Å
848N92.1Very high89.8Confident106 Ų10636.2 Ų36.257%0.56720%0.201SC*.THydrogen-bonded Turntrans-101.1-2.5172.7-69.5-27.9000112.8K819 L844 A845 V846K819-N848 PolarHBondContact NZ-OD1 2.82Å; L844-N848 VanDerWaalsContact O-CB 3.22Å; L844-N848 WeakPolarHBondContact O-CB 3.4Å; L844-N848 PolarHBondContact O-N 2.91Å; L844-N848 PolarHBondContact O-ND2 3.27Å; A845-N848 PolarHBondContact O-N 2.78Å; V846-N848 PolarHBondContact O-N 3.03Å; V846-N848 VanDerWaalsContact O-N 3.13Å
849S88.5Confident89.7Confident15 Ų1532.4 Ų32.411%0.10518%0.184CC..SBendtrans-75148.1176.667.90000111.7A845 V846 D851 H852A845-S849 PolarHBondContact O-N 3.45Å; V846-S849 WeakPolarHBondContact O-CB 3.39Å; V846-S849 PolarHBondContact O-N 3.29Å; V846-S849 PolarHBondContact O-OG 3.42Å; S849-D851 PolarHBondContact O-N 2.88Å; S849-D851 PolarHBondContact OG-OD1 3.23Å; S849-H852 WeakPolarHBondContact O-CB 3.37Å; S849-H852 PolarHBondContact O-N 3.49Å; S849-H852 PolarHBondContact O-ND1 2.91Å; S849-H852 WeakPolarHBondContact OG-CB 3.48Å
850A82.8Confident89.6Confident110 Ų11032.6 Ų32.691%0.90919%0.185SC*.THydrogen-bonded Turntrans-64.8-27.8-176.300000113.2
851D82.6Confident89.3Confident50 Ų5034.3 Ų34.327%0.26719%0.193SC..THydrogen-bonded Turntrans-97.84.5-177.567.3-13.4000113.5S849 E853 E854 R855S849-D851 PolarHBondContact O-N 2.88Å; S849-D851 PolarHBondContact OG-OD1 3.23Å; D851-E853 PolarHBondContact O-N 3.47Å; D851-E854 PolarHBondContact O-N 2.83Å; D851-R855 PolarHBondContact O-N 3.04Å; D851-R855 IonicContact OD1-CZ 2.82Å; D851-R855 VanDerWaalsContact OD1-CZ 3.28Å; D851-R855 IonicContact OD1-NE 2.7Å; D851-R855 PolarHBondContact OD1-NE 3.45Å; D851-R855 IonicContact OD1-NH2 3.65Å; D851-R855 PolarHBondContact OD1-NH2 3.38Å; D851-R855 IonicContact OD2-CZ 2.67Å; D851-R855 IonicContact OD2-NE 3.62Å; D851-R855 IonicContact OD2-NH2 3.99Å; D851-R855 PolarHBondContact OD2-NH2 2.91Å
852H80.3Confident89Confident39 Ų3931.4 Ų31.418%0.18118%0.176CC..THydrogen-bonded Turntrans-54.8-31.6-168.975.3-85.4000114.3V846 S849 M1184V846-H852 WeakPolarHBondContact O-CB 3.49Å; S849-H852 WeakPolarHBondContact O-CB 3.37Å; S849-H852 PolarHBondContact O-N 3.49Å; S849-H852 PolarHBondContact O-ND1 2.91Å; S849-H852 WeakPolarHBondContact OG-CB 3.48Å; H852-M1184 VanDerWaalsContact O-CG 3.29Å; H852-M1184 WeakPolarHBondContact O-CG 3.5Å
853E79.1Confident88.7Confident10 Ų1031.5 Ų31.55%0.04718%0.178CC..THydrogen-bonded Turntrans-71.6-36178-64.8-169.2-164.300113.8S732 K733 S736 D851 N1183 M1184 R1185S732-E853 VanDerWaalsContact C-OE1 3.32Å; K733-E853 WeakPolarHBondContact CA-OE2 3.41Å; K733-E853 PolarHBondContact N-OE2 3.08Å; S736-E853 WeakPolarHBondContact CB-OE1 3.28Å; S736-E853 WeakPolarHBondContact CB-OE2 3.13Å; S736-E853 PolarHBondContact N-OE1 3.43Å; D851-E853 PolarHBondContact O-N 3.47Å; E853-N1183 WeakPolarHBondContact O-CB 3.23Å; E853-M1184 HydrophobicContact CB-CB 4.3Å; E853-M1184 HydrophobicContact CB-CG 4.45Å; E853-M1184 PolarHBondContact O-N 3.2Å; E853-R1185 HydrophobicContact CB-CG 3.88Å; E853-R1185 VanDerWaalsContact O-CD 3.23Å; E853-R1185 WeakPolarHBondContact O-CD 3.46Å; E853-R1185 VanDerWaalsContact O-CG 3.26Å; E853-R1185 WeakPolarHBondContact O-CG 3.37Å; E853-R1185 IonicContact OE2-CZ 3.33Å; E853-R1185 VanDerWaalsContact OE2-CZ 3.28Å; E853-R1185 IonicContact OE2-NE 2.71Å; E853-R1185 PolarHBondContact OE2-NE 3.19Å; E853-R1185 IonicContact OE2-NH2 3.45Å; E853-R1185 PolarHBondContact OE2-NH2 2.81Å
854E80.8Confident88.3Confident116 Ų11631.5 Ų31.554%0.54218%0.178SC..THydrogen-bonded Turntrans-78.9-31.5-170.7-50-149.1129.400111.7D851 I856 N1183 R1185D851-E854 PolarHBondContact O-N 2.83Å; E854-I856 PolarHBondContact O-N 2.87Å; E854-N1183 WeakPolarHBondContact O-CB 3.41Å; E854-N1183 PolarHBondContact O-ND2 2.94Å; E854-R1185 IonicContact OE1-CZ 3.52Å; E854-R1185 IonicContact OE1-NH1 2.69Å; E854-R1185 PolarHBondContact OE1-NH1 3.44Å
855R85.8Confident88Confident19 Ų1931.4 Ų31.47%0.07217%0.174CC..  trans-44.7123.7175.9-69175.5-177-92.4-22.1111.7D851 F857 E1034 M1035 S1036 N1183D851-R855 PolarHBondContact O-N 3.04Å; D851-R855 IonicContact OD1-CZ 2.82Å; D851-R855 VanDerWaalsContact OD1-CZ 3.28Å; D851-R855 IonicContact OD1-NE 2.7Å; D851-R855 PolarHBondContact OD1-NE 3.45Å; D851-R855 IonicContact OD1-NH2 3.65Å; D851-R855 PolarHBondContact OD1-NH2 3.38Å; D851-R855 IonicContact OD2-CZ 2.67Å; D851-R855 IonicContact OD2-NE 3.62Å; D851-R855 IonicContact OD2-NH2 3.99Å; D851-R855 PolarHBondContact OD2-NH2 2.91Å; R855-F857 HydrophobicContact CB-CE1 3.68Å; R855-F857 HydrophobicContact CB-CE2 4.23Å; R855-F857 HydrophobicContact CB-CZ 3.44Å; R855-F857 VanDerWaalsContact CB-CZ 3.44Å; R855-F857 WeakPolarHBondContact O-CD2 3.47Å; R855-F857 WeakPolarHBondContact O-CE2 3.39Å; R855-F857 WeakPolarHBondContact O-CZ 3.28Å; R855-E1034 PolarHBondContact NH1-O 2.77Å; R855-M1035 PolarHBondContact NH1-O 3.39Å; R855-M1035 PolarHBondContact NH2-O 3.33Å; R855-S1036 PolarHBondContact NH1-O 3Å; R855-N1183 WeakPolarHBondContact O-CA 3.35Å; R855-N1183 WeakPolarHBondContact O-CB 3.45Å
856I90.5Very high87.6Confident35 Ų3531.2 Ų31.218%0.17917%0.171CC..  trans-88139.6177.3-52.2-177.2000109.2E854 A940 I1039 L1181 N1183 F1188E854-I856 PolarHBondContact O-N 2.87Å; I856-A940 HydrophobicContact CD1-CB 4.26Å; I856-I1039 HydrophobicContact CB-CD1 3.81Å; I856-I1039 HydrophobicContact CB-CG1 3.92Å; I856-I1039 HydrophobicContact CG2-CD1 3.73Å; I856-I1039 HydrophobicContact CG2-CG1 4.21Å; I856-I1039 HydrophobicContact CG2-CG2 4.49Å; I856-L1181 HydrophobicContact CG2-CD1 3.77Å; I856-L1181 HydrophobicContact CG2-CG 4.33Å; I856-N1183 HydrophobicContact CG1-CB 4.41Å; I856-F1188 HydrophobicContact CB-CE2 4.38Å; I856-F1188 HydrophobicContact CD1-CE2 3.83Å; I856-F1188 HydrophobicContact CD1-CZ 4.47Å; I856-F1188 HydrophobicContact CG1-CE2 3.84Å; I856-F1188 HydrophobicContact CG2-CD2 4.08Å; I856-F1188 HydrophobicContact CG2-CE2 3.83Å
857F89.7Confident87.3Confident1 Ų136 Ų360%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-130.5142.5-176.8-47.8-65.9000111R855 W1043 F1046 L1181 G1182 M1184R855-F857 HydrophobicContact CB-CE1 3.68Å; R855-F857 HydrophobicContact CB-CE2 4.23Å; R855-F857 HydrophobicContact CB-CZ 3.44Å; R855-F857 VanDerWaalsContact CB-CZ 3.44Å; R855-F857 WeakPolarHBondContact O-CD2 3.47Å; R855-F857 WeakPolarHBondContact O-CE2 3.39Å; R855-F857 WeakPolarHBondContact O-CZ 3.28Å; F857-W1043 VanDerWaalsContact CB-CD1 3.47Å; F857-W1043 HydrophobicContact CB-CG 4.14Å; F857-W1043 HydrophobicContact CD1-CB 3.62Å; F857-W1043 AromaticContact CD1-CD1 3.49Å; F857-W1043 VanDerWaalsContact CD1-CD1 3.49Å; F857-W1043 AromaticContact CD1-CD2 3.64Å; F857-W1043 HydrophobicContact CD1-CD2 3.64Å; F857-W1043 HydrophobicContact CD1-CE3 4.3Å; F857-W1043 AromaticContact CD1-CG 3.29Å; F857-W1043 HydrophobicContact CD1-CG 3.29Å; F857-W1043 AromaticContact CD1-NE1 3.93Å; F857-W1043 AromaticContact CD2-NE1 3.97Å; F857-W1043 HydrophobicContact CE1-CB 4.17Å; F857-W1043 AromaticContact CE1-CD2 3.62Å; F857-W1043 HydrophobicContact CE1-CD2 3.62Å; F857-W1043 AromaticContact CE1-CE3 3.83Å; F857-W1043 HydrophobicContact CE1-CE3 3.83Å; F857-W1043 AromaticContact CE1-CG 3.78Å; F857-W1043 HydrophobicContact CE1-CG 3.78Å; F857-W1043 HydrophobicContact CE2-CZ2 4.46Å; F857-W1043 HydrophobicContact CG-CB 4.42Å; F857-W1043 AromaticContact CG-CD1 3.47Å; F857-W1043 VanDerWaalsContact CG-CD1 3.47Å; F857-W1043 HydrophobicContact CG-CD2 4.16Å; F857-W1043 AromaticContact CG-CG 3.8Å; F857-W1043 HydrophobicContact CG-CG 3.8Å; F857-W1043 AromaticContact CG-NE1 3.66Å; F857-W1043 HydrophobicContact CZ-CD2 4.15Å; F857-W1043 HydrophobicContact CZ-CE3 4.26Å; F857-W1043 HydrophobicContact CZ-CZ2 4.46Å; F857-F1046 HydrophobicContact CB-CE2 3.87Å; F857-L1181 WeakPolarHBondContact O-CA 3.42Å; F857-G1182 WeakPolarHBondContact CA-O 3.5Å; F857-G1182 PolarHBondContact N-O 3.45Å; F857-G1182 PolarHBondContact O-N 3.07Å; F857-M1184 HydrophobicContact CE2-CE 3.61Å; F857-M1184 HydrophobicContact CE2-CG 4.05Å; F857-M1184 HydrophobicContact CE2-SD 3.72Å; F857-M1184 HydrophobicContact CZ-CE 3.67Å; F857-M1184 HydrophobicContact CZ-SD 4.39Å
858L92.5Very high87.1Confident0 Ų036.4 Ų36.40%019%0.193CC..EExtended strand (participates in β ladder)trans-111.8127.6172.417764.2000109.3I860 G933 L934 A937 I1039 K1040 C1041 L1181L858-I860 HydrophobicContact CD1-CG1 4.39Å; L858-I860 HydrophobicContact CD2-CD1 3.89Å; L858-I860 HydrophobicContact CD2-CG1 4.3Å; L858-I860 HydrophobicContact CG-CD1 4.32Å; L858-I860 HydrophobicContact CG-CG1 4.19Å; L858-G933 WeakPolarHBondContact CD2-O 3.28Å; L858-L934 HydrophobicContact CD2-CD2 3.91Å; L858-L934 HydrophobicContact CD2-CG 4.41Å; L858-A937 HydrophobicContact CB-CB 4.31Å; L858-A937 HydrophobicContact CD2-CB 3.88Å; L858-I1039 HydrophobicContact CB-CG2 4.1Å; L858-K1040 PolarHBondContact N-O 2.93Å; L858-C1041 HydrophobicContact CB-CB 3.98Å; L858-C1041 HydrophobicContact CD2-CB 3.83Å; L858-C1041 HydrophobicContact CG-CB 4.04Å; L858-C1041 WeakPolarHBondContact O-CA 3.5Å; L858-L1181 HydrophobicContact CB-CD1 4.06Å; L858-L1181 HydrophobicContact CD1-CB 4.2Å; L858-L1181 HydrophobicContact CD1-CD1 4.22Å
859N91.1Very high86.7Confident1 Ų136.4 Ų36.41%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-104.2124.9166-164.414.7000109.8Q861 F1046 C1179 L1180N859-Q861 PolarHBondContact ND2-OE1 3.41Å; N859-F1046 HydrophobicContact CB-CD1 3.99Å; N859-F1046 HydrophobicContact CB-CD2 3.77Å; N859-F1046 HydrophobicContact CB-CE1 3.71Å; N859-F1046 HydrophobicContact CB-CE2 3.57Å; N859-F1046 HydrophobicContact CB-CG 4.05Å; N859-F1046 HydrophobicContact CB-CZ 3.56Å; N859-C1179 CarbonylContact O-C 3.59Å; N859-C1179 WeakPolarHBondContact O-CA 3.42Å; N859-L1180 HydrophobicContact CB-CB 4.45Å; N859-L1180 PolarHBondContact N-O 3.39Å; N859-L1180 PolarHBondContact O-N 2.91Å
860I91.1Very high85.6Confident3 Ų338.6 Ų38.62%0.01520%0.199CC..EExtended strand (participates in β ladder)trans-118.995.1164.9-68.3169.1000106.2L858 V930 L934 Y1011 C1041 G1178L858-I860 HydrophobicContact CD1-CG1 4.39Å; L858-I860 HydrophobicContact CD2-CD1 3.89Å; L858-I860 HydrophobicContact CD2-CG1 4.3Å; L858-I860 HydrophobicContact CG-CD1 4.32Å; L858-I860 HydrophobicContact CG-CG1 4.19Å; I860-V930 HydrophobicContact CD1-CB 4.44Å; I860-V930 HydrophobicContact CD1-CG1 3.84Å; I860-V930 HydrophobicContact CG2-CB 4.48Å; I860-V930 HydrophobicContact CG2-CG1 4.31Å; I860-V930 HydrophobicContact CG2-CG2 3.75Å; I860-L934 HydrophobicContact CD1-CD2 4.38Å; I860-L934 HydrophobicContact CD1-CG 4.17Å; I860-Y1011 HydrophobicContact CD1-CE2 4.33Å; I860-C1041 VanDerWaalsContact CD1-SG 3.53Å; I860-G1178 WeakPolarHBondContact CA-O 3.33Å
861Q88.6Confident84.4Confident51 Ų5139.9 Ų39.924%0.23818%0.184CC..EExtended strand (participates in β ladder)trans-100.9151.1-175.861.4177.142.600111.3N859 V885 N886 N887 F1177 G1178N859-Q861 PolarHBondContact ND2-OE1 3.41Å; Q861-V885 HydrophobicContact CB-CG1 4.47Å; Q861-N886 CarbonylContact C-O 3.52Å; Q861-N886 WeakPolarHBondContact CA-O 3.45Å; Q861-N887 VanDerWaalsContact CB-OD1 3.29Å; Q861-N887 WeakPolarHBondContact CB-OD1 3.25Å; Q861-F1177 CarbonylContact O-C 3.56Å; Q861-F1177 VanDerWaalsContact O-CA 3.31Å; Q861-F1177 WeakPolarHBondContact O-CA 3.4Å; Q861-G1178 PolarHBondContact N-O 2.72Å; Q861-G1178 PolarHBondContact O-N 3.22Å
862R89Confident82.9Confident17 Ų1746 Ų466%0.06421%0.211CC..EExtended strand (participates in β ladder)trans-126.2110.7166.7-166.5-172.777.7-130-14.2109.6D864 N886 A890 G891 V1176 F1177R862-D864 IonicContact CZ-OD1 3.45Å; R862-D864 IonicContact CZ-OD2 2.89Å; R862-D864 IonicContact NE-OD1 3.64Å; R862-D864 PolarHBondContact NE-OD1 3.06Å; R862-D864 IonicContact NE-OD2 2.86Å; R862-D864 PolarHBondContact NE-OD2 3.11Å; R862-D864 IonicContact NH2-OD1 2.76Å; R862-D864 IonicContact NH2-OD2 2.8Å; R862-D864 PolarHBondContact NH2-OD2 3.4Å; R862-N886 PolarHBondContact N-O 2.95Å; R862-N886 PolarHBondContact NH2-ND2 3.27Å; R862-N886 PolarHBondContact O-N 3.43Å; R862-A890 HydrophobicContact CB-CB 4.1Å; R862-G891 PolarHBondContact NH1-O 2.92Å; R862-V1176 WeakPolarHBondContact CA-O 3.45Å; R862-F1177 HydrophobicContact CB-CD1 4.09Å; R862-F1177 HydrophobicContact CB-CE1 3.96Å; R862-F1177 HydrophobicContact CB-CZ 4.3Å; R862-F1177 HydrophobicContact CG-CD1 4.27Å; R862-F1177 HydrophobicContact CG-CD2 4.17Å; R862-F1177 HydrophobicContact CG-CE1 4.1Å; R862-F1177 HydrophobicContact CG-CE2 4Å; R862-F1177 HydrophobicContact CG-CG 4.32Å; R862-F1177 HydrophobicContact CG-CZ 3.96Å
863A87.6Confident81.1Confident8 Ų848.9 Ų48.97%0.06623%0.227CC..EExtended strand (participates in β ladder)trans-87.8114.7173.900000109.3Y865 V885 G1175 V1176A863-Y865 HydrophobicContact CB-CE2 3.62Å; A863-Y865 VanDerWaalsContact O-CD2 3.3Å; A863-Y865 WeakPolarHBondContact O-CD2 3.43Å; A863-Y865 VanDerWaalsContact O-CE2 3.32Å; A863-Y865 WeakPolarHBondContact O-CE2 3.42Å; A863-V885 HydrophobicContact CB-CG1 4.48Å; A863-V885 HydrophobicContact CB-CG2 3.93Å; A863-G1175 CarbonylContact O-C 3.59Å; A863-G1175 WeakPolarHBondContact O-CA 3.19Å; A863-V1176 PolarHBondContact N-O 3.08Å; A863-V1176 PolarHBondContact O-N 2.88Å
864D87.2Confident79.3Confident0 Ų057.1 Ų57.10%027%0.268CS..EExtended strand (participates in β ladder)trans-93.9133.9-178.2-68.1-37.4000110.8R862 V883 E884 N886 G1175 R1198R862-D864 IonicContact CZ-OD1 3.45Å; R862-D864 IonicContact CZ-OD2 2.89Å; R862-D864 IonicContact NE-OD1 3.64Å; R862-D864 PolarHBondContact NE-OD1 3.06Å; R862-D864 IonicContact NE-OD2 2.86Å; R862-D864 PolarHBondContact NE-OD2 3.11Å; R862-D864 IonicContact NH2-OD1 2.76Å; R862-D864 IonicContact NH2-OD2 2.8Å; R862-D864 PolarHBondContact NH2-OD2 3.4Å; D864-V883 HydrophobicContact CB-CB 4.2Å; D864-V883 PolarHBondContact O-N 2.89Å; D864-E884 HydrophobicContact CB-CG 4.45Å; D864-E884 PolarHBondContact N-O 3.07Å; D864-N886 PolarHBondContact OD2-ND2 3.42Å; D864-N886 VanDerWaalsContact OD2-ND2 3.07Å; D864-G1175 WeakPolarHBondContact OD1-CA 3.28Å; D864-R1198 IonicContact OD1-NH2 3.43Å; D864-R1198 PolarHBondContact OD1-NH2 3.49Å; D864-R1198 IonicContact OD2-NH2 3.6Å; D864-R1198 PolarHBondContact OD2-NH2 3.28Å
865Y89.5Confident77.4Confident46 Ų4658.2 Ų58.218%0.1828%0.278CS..EExtended strand (participates in β ladder)trans-130.4156-177.3-58.8-90.3000112.1A863 L880 K881 Q882 V1080 E1173 L1174 V1176A863-Y865 HydrophobicContact CB-CE2 3.62Å; A863-Y865 VanDerWaalsContact O-CD2 3.3Å; A863-Y865 WeakPolarHBondContact O-CD2 3.43Å; A863-Y865 VanDerWaalsContact O-CE2 3.32Å; A863-Y865 WeakPolarHBondContact O-CE2 3.42Å; Y865-L880 HydrophobicContact CD1-CD2 3.83Å; Y865-L880 HydrophobicContact CD1-CG 3.94Å; Y865-L880 HydrophobicContact CE1-CD2 4.39Å; Y865-L880 HydrophobicContact CG-CD1 4.42Å; Y865-L880 HydrophobicContact CG-CD2 3.93Å; Y865-L880 HydrophobicContact CG-CG 4.09Å; Y865-K881 CarbonylContact C-O 3.6Å; Y865-K881 VanDerWaalsContact CA-O 3.25Å; Y865-K881 WeakPolarHBondContact CA-O 3.29Å; Y865-Q882 HydrophobicContact CD1-CB 4.11Å; Y865-Q882 HydrophobicContact CE1-CB 4.07Å; Y865-Q882 HydrophobicContact CE1-CG 4.44Å; Y865-V1080 HydrophobicContact CE1-CB 4.31Å; Y865-V1080 HydrophobicContact CE1-CG2 4.21Å; Y865-E1173 CarbonylContact O-C 3.57Å; Y865-E1173 WeakPolarHBondContact O-CA 3.17Å; Y865-L1174 PolarHBondContact N-O 3.5Å; Y865-L1174 PolarHBondContact O-N 3.45Å; Y865-V1176 HydrophobicContact CD2-CG2 4.14Å; Y865-V1176 HydrophobicContact CE2-CB 4.31Å; Y865-V1176 HydrophobicContact CE2-CG2 4.1Å
866M87.8Confident75.8Confident14 Ų1466.7 Ų66.77%0.06932%0.315CS..EExtended strand (participates in β ladder)trans-131.9153.8167.5-72.8177.998.800109.4K881 V883 I1149 P1151 N1171 E1173M866-K881 PolarHBondContact N-O 2.86Å; M866-K881 PolarHBondContact O-N 2.76Å; M866-V883 HydrophobicContact CB-CG2 4.18Å; M866-V883 HydrophobicContact CG-CG2 3.56Å; M866-V883 HydrophobicContact SD-CG2 3.91Å; M866-I1149 HydrophobicContact CB-CD1 4.32Å; M866-I1149 HydrophobicContact CB-CG2 3.79Å; M866-I1149 HydrophobicContact SD-CG2 4.43Å; M866-P1151 HydrophobicContact CE-CB 4.01Å; M866-P1151 HydrophobicContact CE-CG 3.81Å; M866-N1171 WeakPolarHBondContact CE-OD1 3.43Å; M866-E1173 HydrophobicContact CE-CG 3.87Å; M866-E1173 HydrophobicContact CG-CB 4.29Å; M866-E1173 HydrophobicContact CG-CG 3.7Å; M866-E1173 HydrophobicContact SD-CG 3.85Å
867F86.4Confident74.5Confident101 Ų10167.3 Ų67.344%0.44332%0.323SS..EExtended strand (participates in β ladder)trans-70.2151.3163.6-67.3-75.2000110.2L878 V879 L880 I1149 P1151 P1152F867-L878 HydrophobicContact CD1-CB 4.31Å; F867-V879 CarbonylContact C-O 3.57Å; F867-V879 WeakPolarHBondContact CA-O 3.2Å; F867-L880 HydrophobicContact CD1-CD1 4.34Å; F867-L880 HydrophobicContact CE1-CD1 4.31Å; F867-I1149 WeakPolarHBondContact O-CG2 3.36Å; F867-P1151 VanDerWaalsContact O-CA 3.27Å; F867-P1151 WeakPolarHBondContact O-CA 3.3Å; F867-P1152 HydrophobicContact CB-CG 3.87Å
868H86.9Confident73.8Confident23 Ų2371.2 Ų71.211%0.10634%0.343CS..EExtended strand (participates in β ladder)trans-132.5135.2179.1-174.2104.9000109.4D870 V879 K881 I1149 K1150H868-D870 PolarHBondContact O-N 3.49Å; H868-V879 HydrophobicContact CB-CG2 3.94Å; H868-V879 PolarHBondContact N-O 2.86Å; H868-V879 PolarHBondContact O-N 3.38Å; H868-V879 VanDerWaalsContact O-N 3.08Å; H868-K881 HydrophobicContact CB-CB 4.29Å; H868-K881 HydrophobicContact CB-CG 3.62Å; H868-I1149 HydrophobicContact CB-CG2 4.02Å; H868-K1150 WeakPolarHBondContact CA-O 3.43Å; H868-K1150 PolarHBondContact ND1-N 2.82Å
869K82.5Confident73.2Confident106 Ų10673.2 Ų73.246%0.46136%0.356SS..EExtended strand (participates in β ladder)trans-82.6106.5169.9-64.3175.7-174.5172.70109.2L878 K1150 P1151K869-L878 HydrophobicContact CG-CD2 4.1Å; K869-K1150 PolarHBondContact N-O 2.9Å; K869-P1151 WeakPolarHBondContact CE-O 3.33Å
870D66Low72.9Confident61 Ų6176 Ų7633%0.32637%0.37SS..  trans-63.2137.9177.6-159.6-32.2000111H868 E872H868-D870 PolarHBondContact O-N 3.49Å; D870-E872 PolarHBondContact OD1-N 3Å
871K57.3Low72.8Confident136 Ų13677.5 Ų77.559%0.59138%0.377SS*.SBendtrans-78.7-28.3177.8-73.3-178.2-178.7172.40111.9D1109K871-D1109 IonicContact NZ-OD2 2.85Å; K871-D1109 PolarHBondContact NZ-OD2 2.69Å
872E51.4Low72.8Confident180 Ų18076.2 Ų76.284%0.84137%0.37SS*.SBendtrans-84.1-26.6-171.2-64.1-167.2153.800113.2D870D870-E872 PolarHBondContact OD1-N 3Å
873N43.5Very low72.5Confident98 Ų9876.3 Ų76.352%0.52437%0.373SS..  trans-105.188.6174.5-83.4-47.6000111.4N875 S877N873-N875 PolarHBondContact O-N 2.97Å; N873-S877 WeakPolarHBondContact CB-OG 3.49Å
874M40.5Very low72.5Confident183 Ų18376.8 Ų76.890%0.90137%0.374SS*.  trans-648.5172.4-72.2-146.6-79.700114.8
875N40.9Very low72.4Confident140 Ų14076.9 Ų76.975%0.74937%0.374SS*.SBendtrans-123.799.6170.2-83.3-43000111.8N873 S877N873-N875 PolarHBondContact O-N 2.97Å; N875-S877 PolarHBondContact O-N 2.79Å
876K51.5Low72.3Confident196 Ų19675.3 Ų75.385%0.85237%0.369SS*.SBendtrans63.4-10.8152.7-64.9-170.6173.8-170.20122L878K876-L878 PolarHBondContact O-N 3.43Å; K876-L878 VanDerWaalsContact O-N 3.14Å
877S63Low72.3Confident49 Ų4974.7 Ų74.734%0.34337%0.366SS..  trans-78.7100.4-177.962.30000113.8N873 N875N873-S877 WeakPolarHBondContact CB-OG 3.49Å; N875-S877 PolarHBondContact O-N 2.79Å
878L74.6Confident72.5Confident82 Ų8270.3 Ų70.343%0.42935%0.347SS..EExtended strand (participates in β ladder)trans-75.1128.6163.3-72.2173000110F867 K869 K876 P1152F867-L878 HydrophobicContact CD1-CB 4.31Å; K869-L878 HydrophobicContact CG-CD2 4.1Å; K876-L878 PolarHBondContact O-N 3.43Å; K876-L878 VanDerWaalsContact O-N 3.14Å; L878-P1152 HydrophobicContact CD1-CB 4.45Å; L878-P1152 HydrophobicContact CD1-CG 4.19Å; L878-P1152 HydrophobicContact CD2-CB 4.2Å; L878-P1152 HydrophobicContact CD2-CG 4.06Å
879V81.7Confident72.3Confident43 Ų4370.1 Ų70.126%0.26135%0.348SS..EExtended strand (participates in β ladder)trans-111.2151.9176-58.60000111.2F867 H868 K881F867-V879 CarbonylContact C-O 3.57Å; F867-V879 WeakPolarHBondContact CA-O 3.2Å; H868-V879 HydrophobicContact CB-CG2 3.94Å; H868-V879 PolarHBondContact N-O 2.86Å; H868-V879 PolarHBondContact O-N 3.38Å; H868-V879 VanDerWaalsContact O-N 3.08Å; V879-K881 HydrophobicContact CG2-CG 4.38Å
880L84Confident72.4Confident59 Ų5965.2 Ų65.231%0.30933%0.327SS..EExtended strand (participates in β ladder)trans-89.1130.9177.1-166.472.4000110.1Y865 F867 V1080Y865-L880 HydrophobicContact CD1-CD2 3.83Å; Y865-L880 HydrophobicContact CD1-CG 3.94Å; Y865-L880 HydrophobicContact CE1-CD2 4.39Å; Y865-L880 HydrophobicContact CG-CD1 4.42Å; Y865-L880 HydrophobicContact CG-CD2 3.93Å; Y865-L880 HydrophobicContact CG-CG 4.09Å; F867-L880 HydrophobicContact CD1-CD1 4.34Å; F867-L880 HydrophobicContact CE1-CD1 4.31Å; L880-V1080 WeakPolarHBondContact O-CA 3.39Å
881K89.7Confident73.1Confident35 Ų3562.6 Ų62.615%0.15232%0.315CS..EExtended strand (participates in β ladder)trans-127.4135.9178.8-68.9-63-168-178.80111.7Y865 M866 H868 V879 S1079 V1080 T1081 M1082 I1149Y865-K881 CarbonylContact C-O 3.6Å; Y865-K881 VanDerWaalsContact CA-O 3.25Å; Y865-K881 WeakPolarHBondContact CA-O 3.29Å; M866-K881 PolarHBondContact N-O 2.86Å; M866-K881 PolarHBondContact O-N 2.76Å; H868-K881 HydrophobicContact CB-CB 4.29Å; H868-K881 HydrophobicContact CB-CG 3.62Å; V879-K881 HydrophobicContact CG2-CG 4.38Å; K881-S1079 PolarHBondContact NZ-O 2.88Å; K881-V1080 CarbonylContact C-O 3.52Å; K881-V1080 VanDerWaalsContact CA-O 3.27Å; K881-V1080 WeakPolarHBondContact CA-O 3.35Å; K881-V1080 WeakPolarHBondContact CD-O 3.41Å; K881-T1081 PolarHBondContact NZ-O 2.86Å; K881-M1082 HydrophobicContact CB-CG 4.05Å; K881-M1082 HydrophobicContact CB-SD 3.98Å; K881-M1082 HydrophobicContact CD-CG 4.29Å; K881-M1082 HydrophobicContact CD-SD 3.69Å; K881-M1082 HydrophobicContact CG-CG 4.29Å; K881-M1082 HydrophobicContact CG-SD 3.6Å; K881-I1149 HydrophobicContact CB-CD1 3.94Å; K881-I1149 HydrophobicContact CB-CG1 4.09Å
882Q87.7Confident74.4Confident23 Ų2356.8 Ų56.811%0.10729%0.29CS..EExtended strand (participates in β ladder)trans-71.4129.1177.8-174.5-176.5-69.900110Y865 V885 V1080Y865-Q882 HydrophobicContact CD1-CB 4.11Å; Y865-Q882 HydrophobicContact CE1-CB 4.07Å; Y865-Q882 HydrophobicContact CE1-CG 4.44Å; Q882-V885 HydrophobicContact CG-CG2 4.36Å; Q882-V1080 PolarHBondContact N-O 2.68Å
883V83.6Confident76.1Confident20 Ų2048.2 Ų48.212%0.12125%0.25CS..EExtended strand (participates in β ladder)trans-82.1-51.6170.8-176.80000109.6D864 M866 K1113 I1149D864-V883 HydrophobicContact CB-CB 4.2Å; D864-V883 PolarHBondContact O-N 2.89Å; M866-V883 HydrophobicContact CB-CG2 4.18Å; M866-V883 HydrophobicContact CG-CG2 3.56Å; M866-V883 HydrophobicContact SD-CG2 3.91Å; V883-K1113 PolarHBondContact O-NZ 3.32Å; V883-I1149 HydrophobicContact CG2-CD1 4.03Å
884E85.8Confident78.2Confident18 Ų1843.6 Ų43.68%0.08423%0.226CC..EExtended strand (participates in β ladder)trans-171.8165.7178.356.8-175.6-160.500110.8D864 N886 K1052 Q1055D864-E884 HydrophobicContact CB-CG 4.45Å; D864-E884 PolarHBondContact N-O 3.07Å; E884-N886 PolarHBondContact OE1-ND2 3.41Å; E884-K1052 WeakPolarHBondContact OE2-CE 3.49Å; E884-K1052 IonicContact OE2-NZ 3.43Å; E884-Q1055 VanDerWaalsContact CA-OE1 3.26Å
885V86.9Confident80.5Confident1 Ų137.2 Ų37.21%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-114.1112.8166.9-177.90000110.3Y812 Q861 A863 Q882 Q1055Y812-V885 HydrophobicContact CD2-CG1 4.21Å; Y812-V885 HydrophobicContact CE1-CB 4.44Å; Y812-V885 HydrophobicContact CE2-CB 4.03Å; Y812-V885 HydrophobicContact CE2-CG1 3.85Å; Y812-V885 HydrophobicContact CE2-CG2 3.77Å; Y812-V885 WeakPolarHBondContact OH-CG2 3.09Å; Q861-V885 HydrophobicContact CB-CG1 4.47Å; A863-V885 HydrophobicContact CB-CG1 4.48Å; A863-V885 HydrophobicContact CB-CG2 3.93Å; Q882-V885 HydrophobicContact CG-CG2 4.36Å; V885-Q1055 PolarHBondContact O-NE2 3.25Å
886N86.5Confident82.6Confident13 Ų1330.5 Ų30.57%0.0716%0.159CC..EExtended strand (participates in β ladder)trans-86.6109.6177.4-76.1-97.9000109.6Q861 R862 D864 E884Q861-N886 CarbonylContact C-O 3.52Å; Q861-N886 WeakPolarHBondContact CA-O 3.45Å; R862-N886 PolarHBondContact N-O 2.95Å; R862-N886 PolarHBondContact NH2-ND2 3.27Å; R862-N886 PolarHBondContact O-N 3.43Å; D864-N886 PolarHBondContact OD2-ND2 3.42Å; D864-N886 VanDerWaalsContact OD2-ND2 3.07Å; E884-N886 PolarHBondContact OE1-ND2 3.41Å
887N88.9Confident84.2Confident1 Ų121.8 Ų21.81%0.00512%0.122CC..  trans-97.7-17.7176-73-16.5000113.7Q861 P1042 F1046 G1050Q861-N887 VanDerWaalsContact CB-OD1 3.29Å; Q861-N887 WeakPolarHBondContact CB-OD1 3.25Å; N887-P1042 WeakPolarHBondContact O-CB 3.32Å; N887-P1042 VanDerWaalsContact O-CG 3.29Å; N887-P1042 WeakPolarHBondContact O-CG 3.45Å; N887-F1046 HydrophobicContact CB-CB 4.38Å; N887-F1046 WeakPolarHBondContact CB-O 3.2Å; N887-F1046 PolarHBondContact ND2-O 2.98Å; N887-G1050 WeakPolarHBondContact ND2-CA 3.41Å; N887-G1050 PolarHBondContact ND2-N 2.99Å
888I89Confident85.4Confident9 Ų923.4 Ų23.45%0.04613%0.13CC..SBendtrans-114.4145.5177.3-168.4161.8000111A890 P1042 H1047 E1117I888-A890 PolarHBondContact O-N 3.06Å; I888-P1042 HydrophobicContact CB-CG 3.79Å; I888-P1042 HydrophobicContact CD1-CG 4.2Å; I888-P1042 HydrophobicContact CG1-CG 3.78Å; I888-H1047 HydrophobicContact CD1-CB 4.36Å; I888-H1047 WeakPolarHBondContact CD1-ND1 3.33Å; I888-E1117 HydrophobicContact CG2-CB 4.19Å; I888-E1117 HydrophobicContact CG2-CG 4.16Å
889S84Confident86Confident19 Ų1920.1 Ų20.113%0.13311%0.114CC..SBendtrans49.133.6177.6-153.60000115G891 R1013S889-G891 PolarHBondContact O-N 2.84Å; S889-R1013 VanDerWaalsContact OG-C 3.3Å; S889-R1013 WeakPolarHBondContact OG-CA 3.48Å; S889-R1013 PolarHBondContact OG-O 3.45Å
890A83.4Confident86.1Confident3 Ų318.7 Ų18.73%0.02511%0.105CC..  trans-61.290.9-177.200000112.2R862 I888 F1177R862-A890 HydrophobicContact CB-CB 4.1Å; I888-A890 PolarHBondContact O-N 3.06Å; A890-F1177 HydrophobicContact CB-CE1 4.16Å
891G81.3Confident86.3Confident6 Ų623.2 Ų23.26%0.06212%0.122CC..  trans-93.5174.7-17300000115.6R862 S889 A893 R1013 F1177R862-G891 PolarHBondContact NH1-O 2.92Å; S889-G891 PolarHBondContact O-N 2.84Å; G891-A893 VanDerWaalsContact C-N 3.33Å; G891-R1013 VanDerWaalsContact CA-NH2 3.35Å; G891-F1177 WeakPolarHBondContact O-CZ 3.41Å
892L84.6Confident86.2Confident14 Ų1426 Ų267%0.07314%0.138CC..  trans779.2-179.8-47.1176.5000115.2A894 I895 G896 D961 M1196 R1198 L1209 V1216L892-A894 VanDerWaalsContact C-N 3.29Å; L892-A894 PolarHBondContact O-N 2.71Å; L892-I895 HydrophobicContact CD2-CD1 4.07Å; L892-I895 PolarHBondContact O-N 2.85Å; L892-G896 PolarHBondContact O-N 2.78Å; L892-D961 WeakPolarHBondContact CA-OD1 3.24Å; L892-D961 VanDerWaalsContact N-CG 3.26Å; L892-D961 PolarHBondContact N-OD1 2.92Å; L892-D961 PolarHBondContact N-OD2 3.33Å; L892-M1196 HydrophobicContact CB-CE 4.12Å; L892-M1196 HydrophobicContact CB-CG 3.73Å; L892-M1196 HydrophobicContact CB-SD 3.91Å; L892-M1196 HydrophobicContact CD1-CE 3.92Å; L892-M1196 HydrophobicContact CD1-SD 3.75Å; L892-M1196 HydrophobicContact CG-SD 4.49Å; L892-R1198 HydrophobicContact CD1-CG 4.36Å; L892-L1209 HydrophobicContact CD1-CD2 3.71Å; L892-L1209 HydrophobicContact CD2-CD2 3.48Å; L892-L1209 VanDerWaalsContact CD2-CD2 3.48Å; L892-L1209 HydrophobicContact CG-CD2 4.25Å; L892-V1216 HydrophobicContact CD1-CG2 4.29Å
893A86.2Confident86.2Confident0 Ų027.5 Ų27.50%015%0.145CC..THydrogen-bonded Turntrans-61.7-33.2177.100000113.2G891 P897 S926 K927 V930 D961 I965 F1177G891-A893 VanDerWaalsContact C-N 3.33Å; A893-P897 WeakPolarHBondContact O-CD 3.49Å; A893-S926 CarbonylContact O-C 3.55Å; A893-S926 PolarHBondContact O-OG 3.26Å; A893-K927 WeakPolarHBondContact O-CA 3.13Å; A893-K927 PolarHBondContact O-N 3.02Å; A893-V930 HydrophobicContact CB-CB 4.42Å; A893-V930 HydrophobicContact CB-CG2 3.5Å; A893-D961 PolarHBondContact N-OD1 3.49Å; A893-D961 VanDerWaalsContact N-OD1 3.11Å; A893-I965 HydrophobicContact CB-CD1 4.42Å; A893-F1177 HydrophobicContact CB-CD1 4.44Å; A893-F1177 HydrophobicContact CB-CE1 3.79Å; A893-F1177 HydrophobicContact CB-CE2 4.08Å; A893-F1177 HydrophobicContact CB-CZ 3.58Å
894A88.9Confident86.3Confident1 Ų130.4 Ų30.41%0.00816%0.157CC..THydrogen-bonded Turntrans-91.4-29.8177.700000113.4L892 V898 K927 D961 L964 I965L892-A894 VanDerWaalsContact C-N 3.29Å; L892-A894 PolarHBondContact O-N 2.71Å; A894-V898 WeakPolarHBondContact O-CG2 3.4Å; A894-K927 HydrophobicContact CB-CB 4.35Å; A894-K927 HydrophobicContact CB-CD 4.15Å; A894-K927 HydrophobicContact CB-CG 3.89Å; A894-D961 WeakPolarHBondContact CB-O 3.34Å; A894-D961 PolarHBondContact N-OD1 2.94Å; A894-L964 HydrophobicContact CB-CB 3.42Å; A894-L964 VanDerWaalsContact CB-CB 3.42Å; A894-L964 HydrophobicContact CB-CD1 3.99Å; A894-L964 HydrophobicContact CB-CG 4.37Å; A894-I965 HydrophobicContact CB-CG1 4.13Å
895I87.2Confident86.4Confident49 Ų4936.2 Ų36.225%0.25118%0.179SC..Hα-helixtrans-73.2-35.2179.4-61.1-179.3000111.4L892 V898 C899 D961 V1216L892-I895 HydrophobicContact CD2-CD1 4.07Å; L892-I895 PolarHBondContact O-N 2.85Å; I895-V898 WeakPolarHBondContact O-CB 3.49Å; I895-V898 PolarHBondContact O-N 3.26Å; I895-V898 VanDerWaalsContact O-N 3.1Å; I895-C899 PolarHBondContact O-N 2.87Å; I895-D961 HydrophobicContact CD1-CB 3.88Å; I895-D961 HydrophobicContact CG1-CB 3.97Å; I895-D961 PolarHBondContact N-OD1 3.34Å; I895-V1216 HydrophobicContact CG2-CB 4.41Å; I895-V1216 HydrophobicContact CG2-CG1 4.31Å; I895-V1216 HydrophobicContact CG2-CG2 4.04Å
896G85Confident86.3Confident0 Ų040.2 Ų40.20%020%0.203CC..Hα-helixtrans-51.3-56.6176.700000113.6L892 V898 C899 T900 N924L892-G896 PolarHBondContact O-N 2.78Å; G896-V898 VanDerWaalsContact C-N 3.26Å; G896-V898 PolarHBondContact O-N 2.98Å; G896-C899 WeakPolarHBondContact O-CB 3.5Å; G896-C899 PolarHBondContact O-N 3.39Å; G896-C899 VanDerWaalsContact O-N 3.11Å; G896-T900 PolarHBondContact O-N 3.45Å; G896-T900 PolarHBondContact O-OG1 3.22Å; G896-T900 VanDerWaalsContact O-OG1 3.1Å; G896-N924 VanDerWaalsContact C-ND2 3.29Å
897P86.3Confident86.2Confident13 Ų1340.5 Ų40.58%0.08420%0.204CC..Hα-helixtrans-58.7-30.6175.8-28.336.3000114.8A893 K901 N924 S926 K927A893-P897 WeakPolarHBondContact O-CD 3.49Å; P897-K901 WeakPolarHBondContact O-CG 3.47Å; P897-K901 PolarHBondContact O-N 2.82Å; P897-N924 HydrophobicContact CB-CB 4.48Å; P897-N924 WeakPolarHBondContact CB-O 3.44Å; P897-N924 HydrophobicContact CG-CB 4.27Å; P897-N924 WeakPolarHBondContact CG-O 3.13Å; P897-S926 WeakPolarHBondContact CD-OG 3.41Å; P897-K927 HydrophobicContact CG-CB 4.36Å
898V87.1Confident86Confident83 Ų8347.8 Ų47.850%0.50323%0.231SC..Hα-helixtrans-70.3-42.2175.2176.60000110.7A894 I895 G896 K901 L902 L964A894-V898 WeakPolarHBondContact O-CG2 3.4Å; I895-V898 WeakPolarHBondContact O-CB 3.49Å; I895-V898 PolarHBondContact O-N 3.26Å; I895-V898 VanDerWaalsContact O-N 3.1Å; G896-V898 VanDerWaalsContact C-N 3.26Å; G896-V898 PolarHBondContact O-N 2.98Å; V898-K901 PolarHBondContact O-N 2.84Å; V898-L902 PolarHBondContact O-N 3.15Å; V898-L964 HydrophobicContact CG2-CD1 4.34Å
899C87.2Confident85.8Confident13 Ų1355 Ų559%0.08826%0.263CS..Hα-helixtrans-61.1-44.9172.2-178.40000111.5I895 G896 K901 L902 H903 V1216I895-C899 PolarHBondContact O-N 2.87Å; G896-C899 WeakPolarHBondContact O-CB 3.5Å; G896-C899 PolarHBondContact O-N 3.39Å; G896-C899 VanDerWaalsContact O-N 3.11Å; C899-K901 PolarHBondContact O-N 2.91Å; C899-L902 WeakPolarHBondContact O-CA 3.38Å; C899-L902 WeakPolarHBondContact O-CB 3.31Å; C899-L902 PolarHBondContact O-N 2.98Å; C899-H903 PolarHBondContact O-N 2.84Å; C899-V1216 HydrophobicContact CB-CG1 3.86Å
900T85.4Confident85.8Confident13 Ų1357.1 Ų57.18%0.0828%0.281CS..Hα-helixtrans-60.5-43.3177.3-51.20000111.7G896 L902 H903 E904 L921 N924 S1218G896-T900 PolarHBondContact O-N 3.45Å; G896-T900 PolarHBondContact O-OG1 3.22Å; G896-T900 VanDerWaalsContact O-OG1 3.1Å; T900-L902 VanDerWaalsContact C-N 3.32Å; T900-L902 PolarHBondContact O-N 3.29Å; T900-H903 PolarHBondContact O-N 2.88Å; T900-E904 PolarHBondContact O-N 3.24Å; T900-L921 HydrophobicContact CG2-CD1 4.18Å; T900-L921 HydrophobicContact CG2-CD2 4.14Å; T900-L921 HydrophobicContact CG2-CG 3.96Å; T900-N924 HydrophobicContact CG2-CB 4.26Å; T900-S1218 VanDerWaalsContact CA-OG 3.23Å; T900-S1218 WeakPolarHBondContact CA-OG 3.34Å; T900-S1218 PolarHBondContact N-OG 3Å; T900-S1218 PolarHBondContact OG1-OG 2.79Å
901K86.8Confident85.8Confident154 Ų15465.9 Ų65.967%0.6732%0.318SS*.Hα-helixtrans-63.3-34.5173-73.8176.4179.1-176.40113.1P897 V898 C899 R905P897-K901 WeakPolarHBondContact O-CG 3.47Å; P897-K901 PolarHBondContact O-N 2.82Å; V898-K901 PolarHBondContact O-N 2.84Å; C899-K901 PolarHBondContact O-N 2.91Å; K901-R905 WeakPolarHBondContact O-CB 3.34Å; K901-R905 PolarHBondContact O-N 2.78Å; K901-R905 VanDerWaalsContact O-N 3.11Å
902L88.5Confident85.4Confident92 Ų9270.4 Ų70.448%0.48233%0.334SS..Hα-helixtrans-65.8-46.6173.8179.963.1000111.2V898 C899 T900 R905 V906V898-L902 PolarHBondContact O-N 3.15Å; C899-L902 WeakPolarHBondContact O-CA 3.38Å; C899-L902 WeakPolarHBondContact O-CB 3.31Å; C899-L902 PolarHBondContact O-N 2.98Å; T900-L902 VanDerWaalsContact C-N 3.32Å; T900-L902 PolarHBondContact O-N 3.29Å; L902-R905 WeakPolarHBondContact O-CB 3.47Å; L902-R905 PolarHBondContact O-N 3.37Å; L902-V906 WeakPolarHBondContact O-CG2 3.1Å; L902-V906 PolarHBondContact O-N 3.2Å
903H88.2Confident85Confident56 Ų5673.2 Ų73.226%0.25935%0.353SS..Hα-helixtrans-66.1-36.7177.6-69.7179.8000112.1C899 T900 R905 V906 M907 L921 D1217C899-H903 PolarHBondContact O-N 2.84Å; T900-H903 PolarHBondContact O-N 2.88Å; H903-R905 VanDerWaalsContact C-N 3.29Å; H903-R905 PolarHBondContact O-N 3.26Å; H903-V906 PolarHBondContact O-N 3Å; H903-V906 VanDerWaalsContact O-N 3.15Å; H903-M907 WeakPolarHBondContact O-CG 3.12Å; H903-M907 PolarHBondContact O-N 3.29Å; H903-L921 HydrophobicContact CB-CD1 4.37Å; H903-L921 HydrophobicContact CB-CD2 4.09Å; H903-D1217 IonicContact CE1-OD1 3.53Å; H903-D1217 PolarHBondContact CE1-OD1 2.78Å; H903-D1217 VanDerWaalsContact CE1-OD1 3.27Å; H903-D1217 IonicContact ND1-OD1 3.87Å
904E84.6Confident84.2Confident80 Ų8080.5 Ų80.537%0.37438%0.381SS..Hα-helixtrans-61.3-38.3172.5-157-134.7140.500111.7T900 R908 R917 L921T900-E904 PolarHBondContact O-N 3.24Å; E904-R908 VanDerWaalsContact O-CB 3.3Å; E904-R908 WeakPolarHBondContact O-CB 3.47Å; E904-R908 PolarHBondContact O-N 2.89Å; E904-R917 PolarHBondContact O-NH1 3.23Å; E904-R917 IonicContact OE1-CZ 3.44Å; E904-R917 IonicContact OE1-NH1 2.75Å; E904-R917 PolarHBondContact OE1-NH1 3Å; E904-R917 IonicContact OE1-NH2 3.26Å; E904-L921 HydrophobicContact CB-CD2 3.82Å; E904-L921 HydrophobicContact CG-CD2 4.36Å
905R87.3Confident83.1Confident141 Ų14188.5 Ų88.553%0.53242%0.418SS..Hα-helixtrans-67.3-38.7173.9-175.2-174.8-175.8-169.14.5112.2K901 L902 H903 R908 K909K901-R905 WeakPolarHBondContact O-CB 3.34Å; K901-R905 PolarHBondContact O-N 2.78Å; K901-R905 VanDerWaalsContact O-N 3.11Å; L902-R905 WeakPolarHBondContact O-CB 3.47Å; L902-R905 PolarHBondContact O-N 3.37Å; H903-R905 VanDerWaalsContact C-N 3.29Å; H903-R905 PolarHBondContact O-N 3.26Å; R905-R908 PolarHBondContact O-N 2.96Å; R905-K909 PolarHBondContact O-N 2.85Å
906V85.8Confident82.2Confident85 Ų8591.4 Ų91.452%0.51543%0.429SS..Hα-helixtrans-64.2-51.4174.8171.70000110.2L902 H903 R908 K909 A910L902-V906 WeakPolarHBondContact O-CG2 3.1Å; L902-V906 PolarHBondContact O-N 3.2Å; H903-V906 PolarHBondContact O-N 3Å; H903-V906 VanDerWaalsContact O-N 3.15Å; V906-R908 VanDerWaalsContact C-N 3.27Å; V906-R908 PolarHBondContact O-N 3.3Å; V906-K909 WeakPolarHBondContact O-CB 2.99Å; V906-K909 PolarHBondContact O-N 2.8Å; V906-A910 PolarHBondContact O-N 2.94Å
907M85.4Confident81.6Confident19 Ų1992.4 Ų92.49%0.09443%0.432CS..Hα-helixtrans-56-40.5174.7-72.6-177.4147.900112.5H903 A910 K911 Y912 R917 L921 F1220H903-M907 WeakPolarHBondContact O-CG 3.12Å; H903-M907 PolarHBondContact O-N 3.29Å; M907-A910 CarbonylContact O-C 3.57Å; M907-A910 PolarHBondContact O-N 3.46Å; M907-K911 PolarHBondContact O-N 3.13Å; M907-Y912 HydrophobicContact CB-CD2 4.45Å; M907-Y912 HydrophobicContact CB-CG 4.4Å; M907-Y912 PolarHBondContact O-N 2.78Å; M907-R917 HydrophobicContact CB-CG 3.91Å; M907-R917 HydrophobicContact SD-CB 4.34Å; M907-R917 HydrophobicContact SD-CG 4.03Å; M907-L921 HydrophobicContact CE-CB 4.38Å; M907-L921 HydrophobicContact SD-CB 4.04Å; M907-L921 HydrophobicContact SD-CD2 4.15Å; M907-F1220 HydrophobicContact CE-CD2 3.47Å; M907-F1220 VanDerWaalsContact CE-CD2 3.47Å; M907-F1220 HydrophobicContact CE-CE2 3.43Å; M907-F1220 VanDerWaalsContact CE-CE2 3.43Å
908R83.7Confident80.4Confident153 Ų15396.3 Ų96.358%0.57746%0.459SS*.Hα-helixtrans-62.9-41.9176-167.6176.674-1697112E904 R905 V906 K911E904-R908 VanDerWaalsContact O-CB 3.3Å; E904-R908 WeakPolarHBondContact O-CB 3.47Å; E904-R908 PolarHBondContact O-N 2.89Å; R905-R908 PolarHBondContact O-N 2.96Å; V906-R908 VanDerWaalsContact C-N 3.27Å; V906-R908 PolarHBondContact O-N 3.3Å; R908-K911 PolarHBondContact O-N 2.64Å
909K85.4Confident79.6Confident162 Ų16296.5 Ų96.570%0.70445%0.451SS*.Hα-helixtrans-65.9-37.8173.5-78.6-170.6172.4-169.20112R905 V906 K911R905-K909 PolarHBondContact O-N 2.85Å; V906-K909 WeakPolarHBondContact O-CB 2.99Å; V906-K909 PolarHBondContact O-N 2.8Å; K909-K911 PolarHBondContact O-N 2.92Å; K909-K911 VanDerWaalsContact O-N 3.15Å
910A83.6Confident79Confident62 Ų6298.3 Ų98.351%0.51246%0.457SS..THydrogen-bonded Turntrans-74.311.3173.800000114.1V906 M907 Y912V906-A910 PolarHBondContact O-N 2.94Å; M907-A910 CarbonylContact O-C 3.57Å; M907-A910 PolarHBondContact O-N 3.46Å; A910-Y912 VanDerWaalsContact C-N 3.25Å; A910-Y912 HydrophobicContact CB-CD2 3.89Å; A910-Y912 HydrophobicContact CB-CE2 4.09Å; A910-Y912 PolarHBondContact O-N 2.85Å
911K83.1Confident78.8Confident188 Ų18898.4 Ų98.482%0.81746%0.457SS*.THydrogen-bonded Turntrans6023.9176.2-54.5179.3-178.8175.60115.1M907 R908 K909M907-K911 PolarHBondContact O-N 3.13Å; R908-K911 PolarHBondContact O-N 2.64Å; K909-K911 PolarHBondContact O-N 2.92Å; K909-K911 VanDerWaalsContact O-N 3.15Å
912Y73.5Confident78.3Confident101 Ų10192.5 Ų92.540%0.39643%0.434SS..  trans-62.7130.6172.7-84.5-107.1000110.9M907 A910 R917M907-Y912 HydrophobicContact CB-CD2 4.45Å; M907-Y912 HydrophobicContact CB-CG 4.4Å; M907-Y912 PolarHBondContact O-N 2.78Å; A910-Y912 VanDerWaalsContact C-N 3.25Å; A910-Y912 HydrophobicContact CB-CD2 3.89Å; A910-Y912 HydrophobicContact CB-CE2 4.09Å; A910-Y912 PolarHBondContact O-N 2.85Å; Y912-R917 WeakPolarHBondContact O-CD 3.45Å; Y912-R917 PolarHBondContact O-NE 3.27Å
913P75.2Confident77.8Confident73 Ų7394.5 Ų94.547%0.47444%0.441SS..  trans-55.3140.2177.8-26.334.6000112E915 K916 R917P913-E915 VanDerWaalsContact C-N 3.26Å; P913-E915 PolarHBondContact O-N 3.11Å; P913-K916 HydrophobicContact CB-CB 4.25Å; P913-K916 HydrophobicContact CB-CG 4.41Å; P913-K916 HydrophobicContact CG-CD 4.28Å; P913-K916 PolarHBondContact O-N 3.1Å; P913-R917 WeakPolarHBondContact O-CG 3.48Å; P913-R917 PolarHBondContact O-N 3.15Å
914R69.1Low77.4Confident153 Ų15392.5 Ų92.558%0.57743%0.432SS*.Hα-helixtrans-54.3-43.3-178.3-176.8178.7-176.9179.71.7112.5S292 K916 R917 C918S292-R914 VanDerWaalsContact CB-NH2 3.35Å; S292-R914 PolarHBondContact OG-NH2 2.94Å; R914-K916 VanDerWaalsContact C-N 3.32Å; R914-K916 PolarHBondContact O-N 3.25Å; R914-R917 PolarHBondContact O-N 3.16Å; R914-C918 PolarHBondContact O-N 3.39Å
915E66.7Low77.4Confident168 Ų16890.3 Ų90.379%0.78543%0.426SS*.Hα-helixtrans-61-40.4178.6-65.5162-139.700112P913P913-E915 VanDerWaalsContact C-N 3.26Å; P913-E915 PolarHBondContact O-N 3.11Å
916K69.2Low77.2Confident110 Ų11083.6 Ų83.648%0.47840%0.4SS..Hα-helixtrans-70.9-37.9175.2-76.9-169.2170.4-156.80112.5P913 R914 C918 Y919 Y920P913-K916 HydrophobicContact CB-CB 4.25Å; P913-K916 HydrophobicContact CB-CG 4.41Å; P913-K916 HydrophobicContact CG-CD 4.28Å; P913-K916 PolarHBondContact O-N 3.1Å; R914-K916 VanDerWaalsContact C-N 3.32Å; R914-K916 PolarHBondContact O-N 3.25Å; K916-C918 VanDerWaalsContact C-N 3.35Å; K916-C918 PolarHBondContact O-N 2.8Å; K916-Y919 WeakPolarHBondContact O-CB 3.47Å; K916-Y919 PolarHBondContact O-N 3.11Å; K916-Y919 VanDerWaalsContact O-N 3.07Å; K916-Y920 HydrophobicContact CB-CD2 3.97Å; K916-Y920 HydrophobicContact CB-CE2 3.79Å; K916-Y920 HydrophobicContact CD-CE2 4.09Å; K916-Y920 HydrophobicContact CG-CE2 4.08Å; K916-Y920 WeakPolarHBondContact O-CD2 2.98Å; K916-Y920 PolarHBondContact O-N 3.03Å
917R70.9Confident77.3Confident21 Ų2181.7 Ų81.78%0.07939%0.385CS..Hα-helixtrans-59.3-42.1-178.4-70.9-172.6-67.7120.711.8112.6E904 M907 Y912 P913 R914 Y919 L921E904-R917 PolarHBondContact O-NH1 3.23Å; E904-R917 IonicContact OE1-CZ 3.44Å; E904-R917 IonicContact OE1-NH1 2.75Å; E904-R917 PolarHBondContact OE1-NH1 3Å; E904-R917 IonicContact OE1-NH2 3.26Å; M907-R917 HydrophobicContact CB-CG 3.91Å; M907-R917 HydrophobicContact SD-CB 4.34Å; M907-R917 HydrophobicContact SD-CG 4.03Å; Y912-R917 WeakPolarHBondContact O-CD 3.45Å; Y912-R917 PolarHBondContact O-NE 3.27Å; P913-R917 WeakPolarHBondContact O-CG 3.48Å; P913-R917 PolarHBondContact O-N 3.15Å; R914-R917 PolarHBondContact O-N 3.16Å; R917-Y919 VanDerWaalsContact C-N 3.28Å; R917-Y919 PolarHBondContact O-N 3.4Å; R917-L921 WeakPolarHBondContact O-CB 3.13Å; R917-L921 PolarHBondContact O-N 2.89Å
918C62.2Low77.4Confident96 Ų9683.9 Ų83.965%0.64940%0.397SS*.Hα-helixtrans-70.7-21.3177.2-58.10000113.9R914 K916R914-C918 PolarHBondContact O-N 3.39Å; K916-C918 VanDerWaalsContact C-N 3.35Å; K916-C918 PolarHBondContact O-N 2.8Å
919Y69.4Low77.4Confident86 Ų8677.2 Ų77.234%0.33737%0.373SS..Hα-helixtrans-78.1-51.3174.8-176.9-94.3000111K916 R917 D1223K916-Y919 WeakPolarHBondContact O-CB 3.47Å; K916-Y919 PolarHBondContact O-N 3.11Å; K916-Y919 VanDerWaalsContact O-N 3.07Å; R917-Y919 VanDerWaalsContact C-N 3.28Å; R917-Y919 PolarHBondContact O-N 3.4Å; Y919-D1223 VanDerWaalsContact OH-CG 3.28Å; Y919-D1223 PolarHBondContact OH-OD1 3.05Å; Y919-D1223 PolarHBondContact OH-OD2 2.79Å
920Y75.6Confident77.6Confident52 Ų5269.5 Ų69.520%0.20434%0.34CS..Hα-helixtrans-72.7-28.1-179.6-66.2-69.3000113.4K916 F1220 I1221K916-Y920 HydrophobicContact CB-CD2 3.97Å; K916-Y920 HydrophobicContact CB-CE2 3.79Å; K916-Y920 HydrophobicContact CD-CE2 4.09Å; K916-Y920 HydrophobicContact CG-CE2 4.08Å; K916-Y920 WeakPolarHBondContact O-CD2 2.98Å; K916-Y920 PolarHBondContact O-N 3.03Å; Y920-F1220 HydrophobicContact CD1-CD1 4.41Å; Y920-F1220 AromaticContact CD1-CE1 3.67Å; Y920-F1220 HydrophobicContact CD1-CE1 3.67Å; Y920-F1220 AromaticContact CD1-CE2 3.86Å; Y920-F1220 HydrophobicContact CD1-CE2 3.86Å; Y920-F1220 AromaticContact CD1-CZ 3.34Å; Y920-F1220 HydrophobicContact CD1-CZ 3.34Å; Y920-F1220 HydrophobicContact CE1-CE1 4.24Å; Y920-F1220 AromaticContact CE1-CZ 3.99Å; Y920-F1220 HydrophobicContact CE1-CZ 3.99Å; Y920-F1220 HydrophobicContact CG-CE1 4.43Å; Y920-F1220 AromaticContact CG-CE2 3.8Å; Y920-F1220 HydrophobicContact CG-CE2 3.8Å; Y920-F1220 AromaticContact CG-CZ 3.74Å; Y920-F1220 HydrophobicContact CG-CZ 3.74Å; Y920-F1220 CarbonylContact O-C 3.6Å; Y920-F1220 VanDerWaalsContact O-CA 3.27Å; Y920-F1220 WeakPolarHBondContact O-CA 3.14Å; Y920-I1221 WeakPolarHBondContact CD1-O 3.3Å; Y920-I1221 PolarHBondContact O-N 2.86Å
921L80.3Confident78Confident15 Ų1566.5 Ų66.58%0.07932%0.315CS..SBendtrans-126.299-175.1-170.969000110T900 H903 E904 M907 R917T900-L921 HydrophobicContact CG2-CD1 4.18Å; T900-L921 HydrophobicContact CG2-CD2 4.14Å; T900-L921 HydrophobicContact CG2-CG 3.96Å; H903-L921 HydrophobicContact CB-CD1 4.37Å; H903-L921 HydrophobicContact CB-CD2 4.09Å; E904-L921 HydrophobicContact CB-CD2 3.82Å; E904-L921 HydrophobicContact CG-CD2 4.36Å; M907-L921 HydrophobicContact CE-CB 4.38Å; M907-L921 HydrophobicContact SD-CB 4.04Å; M907-L921 HydrophobicContact SD-CD2 4.15Å; R917-L921 WeakPolarHBondContact O-CB 3.13Å; R917-L921 PolarHBondContact O-N 2.89Å
922P77.5Confident78.3Confident29 Ų2958.6 Ų58.619%0.18828%0.283CS..  trans-69.1156.5-177.129-36.2000112.4F1195 P1219 I1221P922-F1195 HydrophobicContact CB-CE1 3.95Å; P922-F1195 HydrophobicContact CB-CZ 4.17Å; P922-F1195 HydrophobicContact CG-CE1 3.68Å; P922-F1195 HydrophobicContact CG-CZ 3.63Å; P922-P1219 WeakPolarHBondContact CD-O 3.14Å; P922-P1219 HydrophobicContact CG-CG 3.8Å; P922-I1221 HydrophobicContact CB-CD1 4.03Å; P922-I1221 HydrophobicContact CG-CD1 3.74Å; P922-I1221 HydrophobicContact CG-CG1 4.3Å
923E77.4Confident79.1Confident135 Ų13553.8 Ų53.863%0.63126%0.264SS*.  trans-70139.9178-175166.6-178.100112F1195E923-F1195 VanDerWaalsContact O-CE1 3.3Å; E923-F1195 WeakPolarHBondContact O-CE1 3.49Å
924N80.5Confident80Confident14 Ų1450.3 Ų50.38%0.07524%0.241CC..  trans-121.6115.7179.4-166.8-9.4000110.9G896 P897 T900 S926 T1194 F1195G896-N924 VanDerWaalsContact C-ND2 3.29Å; P897-N924 HydrophobicContact CB-CB 4.48Å; P897-N924 WeakPolarHBondContact CB-O 3.44Å; P897-N924 HydrophobicContact CG-CB 4.27Å; P897-N924 WeakPolarHBondContact CG-O 3.13Å; T900-N924 HydrophobicContact CG2-CB 4.26Å; N924-S926 PolarHBondContact OD1-N 3.18Å; N924-S926 PolarHBondContact OD1-OG 3.18Å; N924-T1194 PolarHBondContact OD1-OG1 3.48Å; N924-F1195 HydrophobicContact CB-CE1 4.46Å; N924-F1195 HydrophobicContact CB-CE2 3.88Å; N924-F1195 HydrophobicContact CB-CZ 3.7Å; N924-F1195 PolarHBondContact ND2-O 3.32Å; N924-F1195 PolarHBondContact OD1-O 2.87Å
925S83.5Confident81.2Confident34 Ų3444.5 Ų44.524%0.23822%0.22CC..  trans-123.925.9-178.561.50000112.8K927 N928 V929 T1194S925-K927 PolarHBondContact O-N 3.04Å; S925-N928 WeakPolarHBondContact O-CA 3.3Å; S925-N928 WeakPolarHBondContact O-CB 3.43Å; S925-N928 PolarHBondContact O-N 2.99Å; S925-V929 PolarHBondContact O-N 2.94Å; S925-T1194 PolarHBondContact N-OG1 3.28Å; S925-T1194 VanDerWaalsContact N-OG1 3.12Å; S925-T1194 WeakPolarHBondContact OG-CG2 3.34Å
926S83.2Confident82.5Confident0 Ų038.6 Ų38.60%019%0.193CC..Hα-helixtrans-60.1-33.2-173.937.60000112.3A893 P897 N924 N928 V929 V930 T1194A893-S926 CarbonylContact O-C 3.55Å; A893-S926 PolarHBondContact O-OG 3.26Å; P897-S926 WeakPolarHBondContact CD-OG 3.41Å; N924-S926 PolarHBondContact OD1-N 3.18Å; N924-S926 PolarHBondContact OD1-OG 3.18Å; S926-N928 VanDerWaalsContact C-N 3.3Å; S926-N928 PolarHBondContact O-N 3.11Å; S926-V929 WeakPolarHBondContact O-CB 3.19Å; S926-V929 PolarHBondContact O-N 3.11Å; S926-V930 WeakPolarHBondContact O-CG2 3.2Å; S926-V930 PolarHBondContact O-N 3.31Å; S926-T1194 VanDerWaalsContact CA-OG1 3.27Å; S926-T1194 WeakPolarHBondContact CA-OG1 3.45Å; S926-T1194 VanDerWaalsContact CB-OG1 3.28Å; S926-T1194 WeakPolarHBondContact CB-OG1 3.41Å; S926-T1194 PolarHBondContact N-OG1 3.29Å
927K88.2Confident83.6Confident45 Ų4533.4 Ų33.420%0.19617%0.17CC..Hα-helixtrans-51.3-48.6168.9-166.2-176.772.1144.80112.2A893 A894 P897 S925 V930 S931 L964 Q968A893-K927 WeakPolarHBondContact O-CA 3.13Å; A893-K927 PolarHBondContact O-N 3.02Å; A894-K927 HydrophobicContact CB-CB 4.35Å; A894-K927 HydrophobicContact CB-CD 4.15Å; A894-K927 HydrophobicContact CB-CG 3.89Å; P897-K927 HydrophobicContact CG-CB 4.36Å; S925-K927 PolarHBondContact O-N 3.04Å; K927-V930 PolarHBondContact O-N 2.92Å; K927-S931 PolarHBondContact O-N 3Å; K927-S931 PolarHBondContact O-OG 2.78Å; K927-L964 HydrophobicContact CD-CB 4.4Å; K927-L964 WeakPolarHBondContact CD-O 3.4Å; K927-Q968 HydrophobicContact CD-CB 4.13Å; K927-Q968 HydrophobicContact CD-CG 4.44Å; K927-Q968 VanDerWaalsContact CE-OE1 3.22Å; K927-Q968 HydrophobicContact CG-CB 4.23Å; K927-Q968 HydrophobicContact CG-CG 4.42Å
928N86.9Confident84.7Confident64 Ų6433.1 Ų33.134%0.34217%0.169SC..Hα-helixtrans-70.5-35-176.2-59.99.5000111.1S925 S926 V930 S931 V932S925-N928 WeakPolarHBondContact O-CA 3.3Å; S925-N928 WeakPolarHBondContact O-CB 3.43Å; S925-N928 PolarHBondContact O-N 2.99Å; S926-N928 VanDerWaalsContact C-N 3.3Å; S926-N928 PolarHBondContact O-N 3.11Å; N928-V930 VanDerWaalsContact C-N 3.3Å; N928-V930 PolarHBondContact O-N 3.46Å; N928-S931 WeakPolarHBondContact CA-OG 3.47Å; N928-S931 PolarHBondContact O-OG 2.84Å; N928-V932 WeakPolarHBondContact O-CB 3.18Å; N928-V932 WeakPolarHBondContact O-CG2 3.24Å; N928-V932 PolarHBondContact O-N 3.22Å
929V84.8Confident86.2Confident13 Ų1332.8 Ų32.88%0.07916%0.157CC..Hα-helixtrans-61.1-43176.9179.60000110.5S925 S926 G933 C1179 G1193S925-V929 PolarHBondContact O-N 2.94Å; S926-V929 WeakPolarHBondContact O-CB 3.19Å; S926-V929 PolarHBondContact O-N 3.11Å; V929-G933 PolarHBondContact O-N 3.44Å; V929-G933 VanDerWaalsContact O-N 3.16Å; V929-C1179 HydrophobicContact CG1-CB 3.9Å; V929-G1193 VanDerWaalsContact CG2-CA 3.47Å
930V89.3Confident87.2Confident0 Ų030.6 Ų30.60%016%0.156CC..Hα-helixtrans-71.3-50.3177.9179.90000111.3I860 A893 S926 K927 N928 G933 L934 I965 Y1011 F1177I860-V930 HydrophobicContact CD1-CB 4.44Å; I860-V930 HydrophobicContact CD1-CG1 3.84Å; I860-V930 HydrophobicContact CG2-CB 4.48Å; I860-V930 HydrophobicContact CG2-CG1 4.31Å; I860-V930 HydrophobicContact CG2-CG2 3.75Å; A893-V930 HydrophobicContact CB-CB 4.42Å; A893-V930 HydrophobicContact CB-CG2 3.5Å; S926-V930 WeakPolarHBondContact O-CG2 3.2Å; S926-V930 PolarHBondContact O-N 3.31Å; K927-V930 PolarHBondContact O-N 2.92Å; N928-V930 VanDerWaalsContact C-N 3.3Å; N928-V930 PolarHBondContact O-N 3.46Å; V930-G933 PolarHBondContact O-N 3.14Å; V930-L934 HydrophobicContact CG1-CD1 4.32Å; V930-L934 WeakPolarHBondContact O-CG 3.31Å; V930-L934 PolarHBondContact O-N 3.21Å; V930-L934 VanDerWaalsContact O-N 3.07Å; V930-I965 HydrophobicContact CB-CG2 4.32Å; V930-I965 HydrophobicContact CG1-CD1 4.07Å; V930-I965 HydrophobicContact CG1-CG1 4.23Å; V930-I965 HydrophobicContact CG1-CG2 3.56Å; V930-Y1011 HydrophobicContact CG1-CE1 4.47Å; V930-Y1011 WeakPolarHBondContact CG1-OH 3.36Å; V930-F1177 HydrophobicContact CG2-CD1 4.34Å; V930-F1177 HydrophobicContact CG2-CE1 4.47Å
931S91.4Very high88.1Confident0 Ų030 Ų300%015%0.154CC..Hα-helixtrans-67.2-38.6-176.465.30000112.9K927 N928 L934 F935 Q968 L972K927-S931 PolarHBondContact O-N 3Å; K927-S931 PolarHBondContact O-OG 2.78Å; N928-S931 WeakPolarHBondContact CA-OG 3.47Å; N928-S931 PolarHBondContact O-OG 2.84Å; S931-L934 PolarHBondContact O-N 3.26Å; S931-F935 WeakPolarHBondContact O-CB 3.41Å; S931-F935 PolarHBondContact O-N 3.07Å; S931-Q968 WeakPolarHBondContact OG-CG 3.39Å; S931-L972 VanDerWaalsContact OG-CD1 3.24Å; S931-L972 WeakPolarHBondContact OG-CD1 3.37Å
932V90Very high88.6Confident22 Ų2232.2 Ų32.213%0.13318%0.18CC..Hα-helixtrans-68.6-38174.3177.30000110.6N928 L934 F935 E936 L972N928-V932 WeakPolarHBondContact O-CB 3.18Å; N928-V932 WeakPolarHBondContact O-CG2 3.24Å; N928-V932 PolarHBondContact O-N 3.22Å; V932-L934 VanDerWaalsContact C-N 3.32Å; V932-L934 PolarHBondContact O-N 3.41Å; V932-F935 PolarHBondContact O-N 3.5Å; V932-F935 VanDerWaalsContact O-N 3.15Å; V932-E936 HydrophobicContact CG1-CG 3.96Å; V932-E936 VanDerWaalsContact O-CG 3.31Å; V932-E936 WeakPolarHBondContact O-CG 3.31Å; V932-E936 PolarHBondContact O-N 3.4Å; V932-L972 HydrophobicContact CB-CD1 4.37Å; V932-L972 HydrophobicContact CG2-CD1 3.52Å; V932-L972 HydrophobicContact CG2-CD2 4.18Å
933G90.7Very high89.2Confident0 Ų033.1 Ų33.10%018%0.184CC..Hα-helixtrans-56.8-45.6173.500000112.9L858 V929 V930 A937 C1179L858-G933 WeakPolarHBondContact CD2-O 3.28Å; V929-G933 PolarHBondContact O-N 3.44Å; V929-G933 VanDerWaalsContact O-N 3.16Å; V930-G933 PolarHBondContact O-N 3.14Å; G933-A937 WeakPolarHBondContact O-CB 3.5Å; G933-A937 PolarHBondContact O-N 3.17Å; G933-C1179 WeakPolarHBondContact CA-SG 3.34Å
934L93.8Very high89.6Confident0 Ų034.8 Ų34.80%019%0.189CC..Hα-helixtrans-63.8-39.6174.4-67.7169000112.3L858 I860 V930 S931 V932 A937 W938 F950 I965 F969 V1009 Y1011 C1041L858-L934 HydrophobicContact CD2-CD2 3.91Å; L858-L934 HydrophobicContact CD2-CG 4.41Å; I860-L934 HydrophobicContact CD1-CD2 4.38Å; I860-L934 HydrophobicContact CD1-CG 4.17Å; V930-L934 HydrophobicContact CG1-CD1 4.32Å; V930-L934 WeakPolarHBondContact O-CG 3.31Å; V930-L934 PolarHBondContact O-N 3.21Å; V930-L934 VanDerWaalsContact O-N 3.07Å; S931-L934 PolarHBondContact O-N 3.26Å; V932-L934 VanDerWaalsContact C-N 3.32Å; V932-L934 PolarHBondContact O-N 3.41Å; L934-A937 PolarHBondContact O-N 2.97Å; L934-W938 PolarHBondContact O-N 3.31Å; L934-F950 HydrophobicContact CD1-CE2 4.27Å; L934-F950 HydrophobicContact CD1-CZ 3.94Å; L934-I965 HydrophobicContact CD1-CG2 3.9Å; L934-F969 HydrophobicContact CB-CD2 3.61Å; L934-F969 HydrophobicContact CB-CE2 4.01Å; L934-V1009 HydrophobicContact CD2-CG1 4.23Å; L934-Y1011 HydrophobicContact CD1-CD1 3.84Å; L934-Y1011 HydrophobicContact CD1-CE1 4.02Å; L934-Y1011 HydrophobicContact CD1-CG 4.25Å; L934-Y1011 HydrophobicContact CD2-CD1 4.24Å; L934-Y1011 HydrophobicContact CD2-CD2 4.04Å; L934-Y1011 HydrophobicContact CD2-CG 3.79Å; L934-C1041 HydrophobicContact CD2-CB 4.49Å
935F93.5Very high90Very high30 Ų3042.7 Ų42.713%0.13222%0.223CC..Hα-helixtrans-67.7-44.1178.1178.5-122.5000113.1S931 V932 A937 W938 K939 F969 L972S931-F935 WeakPolarHBondContact O-CB 3.41Å; S931-F935 PolarHBondContact O-N 3.07Å; V932-F935 PolarHBondContact O-N 3.5Å; V932-F935 VanDerWaalsContact O-N 3.15Å; F935-A937 VanDerWaalsContact C-N 3.3Å; F935-A937 PolarHBondContact O-N 3.48Å; F935-W938 HydrophobicContact CD2-CE3 4.11Å; F935-W938 HydrophobicContact CE2-CE3 4Å; F935-W938 HydrophobicContact CE2-CZ3 4.06Å; F935-W938 PolarHBondContact O-N 3.37Å; F935-K939 HydrophobicContact CD1-CD 4.31Å; F935-K939 HydrophobicContact CD2-CG 4.41Å; F935-K939 HydrophobicContact CE1-CD 3.72Å; F935-K939 HydrophobicContact CE1-CG 4.5Å; F935-K939 HydrophobicContact CE2-CD 4.04Å; F935-K939 HydrophobicContact CE2-CG 4Å; F935-K939 HydrophobicContact CZ-CD 3.57Å; F935-K939 HydrophobicContact CZ-CG 4.06Å; F935-K939 WeakPolarHBondContact O-CG 3.23Å; F935-K939 PolarHBondContact O-N 2.67Å; F935-F969 HydrophobicContact CB-CD2 4.16Å; F935-F969 HydrophobicContact CB-CE2 4.2Å; F935-L972 HydrophobicContact CB-CB 4.4Å; F935-L972 HydrophobicContact CD1-CB 4.34Å; F935-L972 VanDerWaalsContact CE1-O 3.29Å; F935-L972 WeakPolarHBondContact CE1-O 3.39Å; F935-L972 WeakPolarHBondContact CE2-O 3.41Å; F935-L972 HydrophobicContact CG-CB 4.22Å; F935-L972 WeakPolarHBondContact CZ-O 3.34Å
936E93.4Very high90.4Very high45 Ų4541.1 Ų41.121%0.2121%0.212CC..Hα-helixtrans-64.6-35.3174.8-62.7-65.7165.900111.4V932 K939 A940 L1181 R1191V932-E936 HydrophobicContact CG1-CG 3.96Å; V932-E936 VanDerWaalsContact O-CG 3.31Å; V932-E936 WeakPolarHBondContact O-CG 3.31Å; V932-E936 PolarHBondContact O-N 3.4Å; E936-K939 VanDerWaalsContact CD-CE 3.46Å; E936-K939 IonicContact OE1-NZ 3.79Å; E936-K939 PolarHBondContact OE1-NZ 2.92Å; E936-K939 WeakPolarHBondContact OE2-CE 3.39Å; E936-K939 IonicContact OE2-NZ 3.27Å; E936-K939 PolarHBondContact OE2-NZ 3.25Å; E936-A940 VanDerWaalsContact O-CB 3.24Å; E936-A940 WeakPolarHBondContact O-CB 3.35Å; E936-A940 PolarHBondContact O-N 3.03Å; E936-L1181 HydrophobicContact CB-CD2 3.87Å; E936-L1181 WeakPolarHBondContact O-CD2 3.31Å; E936-R1191 IonicContact OE1-NH2 3.52Å; E936-R1191 PolarHBondContact OE1-NH2 2.79Å; E936-R1191 VanDerWaalsContact OE1-NH2 3.08Å
937A94Very high90.9Very high0 Ų041.4 Ų41.40%021%0.213CC..Hα-helixtrans-63.4-48.4170.900000112.1L858 G933 L934 F935 K939 A940 Y941 V1009 I1039 L1181L858-A937 HydrophobicContact CB-CB 4.31Å; L858-A937 HydrophobicContact CD2-CB 3.88Å; G933-A937 WeakPolarHBondContact O-CB 3.5Å; G933-A937 PolarHBondContact O-N 3.17Å; L934-A937 PolarHBondContact O-N 2.97Å; F935-A937 VanDerWaalsContact C-N 3.3Å; F935-A937 PolarHBondContact O-N 3.48Å; A937-K939 VanDerWaalsContact C-N 3.33Å; A937-K939 PolarHBondContact O-N 2.87Å; A937-A940 CarbonylContact O-C 3.55Å; A937-A940 PolarHBondContact O-N 2.72Å; A937-A940 VanDerWaalsContact O-N 3.08Å; A937-Y941 PolarHBondContact O-N 3.09Å; A937-V1009 HydrophobicContact CB-CG1 4.43Å; A937-V1009 HydrophobicContact CB-CG2 4.12Å; A937-I1039 HydrophobicContact CB-CD1 4.45Å; A937-I1039 HydrophobicContact CB-CG2 3.99Å; A937-I1039 VanDerWaalsContact O-CD1 3.25Å; A937-I1039 WeakPolarHBondContact O-CD1 3.3Å; A937-L1181 HydrophobicContact CB-CD1 3.85Å
938W94.4Very high91.3Very high16 Ų1639.2 Ų39.26%0.06120%0.204CC..Hα-helixtrans-60.3-42.3178.2179.378.4000112.1L934 F935 A940 Y941 G942 K944 A946 V948 F969 A976 A977 V1009L934-W938 PolarHBondContact O-N 3.31Å; F935-W938 HydrophobicContact CD2-CE3 4.11Å; F935-W938 HydrophobicContact CE2-CE3 4Å; F935-W938 HydrophobicContact CE2-CZ3 4.06Å; F935-W938 PolarHBondContact O-N 3.37Å; W938-A940 PolarHBondContact O-N 3.01Å; W938-Y941 WeakPolarHBondContact O-CB 3.23Å; W938-Y941 PolarHBondContact O-N 3.5Å; W938-G942 PolarHBondContact O-N 2.94Å; W938-K944 HydrophobicContact CH2-CB 4.46Å; W938-K944 HydrophobicContact CH2-CG 4.43Å; W938-K944 HydrophobicContact CZ2-CB 4.4Å; W938-K944 WeakPolarHBondContact CZ2-O 3.46Å; W938-A946 PolarHBondContact NE1-O 3.4Å; W938-V948 HydrophobicContact CB-CG2 4.2Å; W938-V948 HydrophobicContact CG-CG2 4.07Å; W938-F969 HydrophobicContact CB-CE2 4.26Å; W938-F969 HydrophobicContact CB-CZ 4.28Å; W938-F969 HydrophobicContact CG-CZ 4.35Å; W938-A976 HydrophobicContact CH2-CB 4.37Å; W938-A977 HydrophobicContact CD2-CB 3.77Å; W938-A977 VanDerWaalsContact CE2-CB 3.47Å; W938-A977 HydrophobicContact CE3-CB 4.12Å; W938-A977 HydrophobicContact CG-CB 4.34Å; W938-A977 HydrophobicContact CH2-CB 3.89Å; W938-A977 HydrophobicContact CZ2-CB 3.53Å; W938-A977 HydrophobicContact CZ3-CB 4.18Å; W938-V1009 HydrophobicContact CB-CG2 3.96Å
939K91.9Very high91.7Very high89 Ų8936.2 Ų36.239%0.38719%0.188SC..Hα-helixtrans-61.2-42.2171.1-73.1-173.7-64.8177.50112.6F935 E936 A937 Y941 G942F935-K939 HydrophobicContact CD1-CD 4.31Å; F935-K939 HydrophobicContact CD2-CG 4.41Å; F935-K939 HydrophobicContact CE1-CD 3.72Å; F935-K939 HydrophobicContact CE1-CG 4.5Å; F935-K939 HydrophobicContact CE2-CD 4.04Å; F935-K939 HydrophobicContact CE2-CG 4Å; F935-K939 HydrophobicContact CZ-CD 3.57Å; F935-K939 HydrophobicContact CZ-CG 4.06Å; F935-K939 WeakPolarHBondContact O-CG 3.23Å; F935-K939 PolarHBondContact O-N 2.67Å; E936-K939 VanDerWaalsContact CD-CE 3.46Å; E936-K939 IonicContact OE1-NZ 3.79Å; E936-K939 PolarHBondContact OE1-NZ 2.92Å; E936-K939 WeakPolarHBondContact OE2-CE 3.39Å; E936-K939 IonicContact OE2-NZ 3.27Å; E936-K939 PolarHBondContact OE2-NZ 3.25Å; A937-K939 VanDerWaalsContact C-N 3.33Å; A937-K939 PolarHBondContact O-N 2.87Å; K939-Y941 VanDerWaalsContact C-N 3.27Å; K939-Y941 PolarHBondContact O-N 3.01Å; K939-G942 WeakPolarHBondContact O-CA 3.43Å; K939-G942 PolarHBondContact O-N 3.43Å
940A91.9Very high92.2Very high40 Ų4035.6 Ų35.633%0.33118%0.184SC..Hα-helixtrans-68.9-22.1178.400000113.7I856 E936 A937 W938 G942 I1039 L1181I856-A940 HydrophobicContact CD1-CB 4.26Å; E936-A940 VanDerWaalsContact O-CB 3.24Å; E936-A940 WeakPolarHBondContact O-CB 3.35Å; E936-A940 PolarHBondContact O-N 3.03Å; A937-A940 CarbonylContact O-C 3.55Å; A937-A940 PolarHBondContact O-N 2.72Å; A937-A940 VanDerWaalsContact O-N 3.08Å; W938-A940 PolarHBondContact O-N 3.01Å; A940-G942 VanDerWaalsContact C-N 3.29Å; A940-I1039 HydrophobicContact CB-CD1 4.34Å; A940-L1181 HydrophobicContact CB-CD2 4Å
941Y93.5Very high92.5Very high38 Ų3835.7 Ų35.715%0.14919%0.185CC..Hα-helixtrans-71.1-24.5169.3-169.7-100.3000112.4A937 W938 K939 N943 A946 E1006 G1008 T1037 I1039A937-Y941 PolarHBondContact O-N 3.09Å; W938-Y941 WeakPolarHBondContact O-CB 3.23Å; W938-Y941 PolarHBondContact O-N 3.5Å; K939-Y941 VanDerWaalsContact C-N 3.27Å; K939-Y941 PolarHBondContact O-N 3.01Å; Y941-N943 VanDerWaalsContact C-N 3.25Å; Y941-N943 HydrophobicContact CD1-CB 3.91Å; Y941-N943 HydrophobicContact CE1-CB 3.84Å; Y941-N943 PolarHBondContact O-N 3.31Å; Y941-N943 VanDerWaalsContact O-N 3.11Å; Y941-A946 HydrophobicContact CD1-CB 3.82Å; Y941-A946 HydrophobicContact CE1-CB 3.64Å; Y941-E1006 WeakPolarHBondContact CE1-OE1 3.34Å; Y941-E1006 VanDerWaalsContact CZ-OE1 3.3Å; Y941-E1006 PolarHBondContact OH-OE1 2.85Å; Y941-G1008 WeakPolarHBondContact CD2-O 3.45Å; Y941-T1037 PolarHBondContact OH-OG1 2.96Å; Y941-I1039 HydrophobicContact CD2-CD1 4.46Å; Y941-I1039 HydrophobicContact CD2-CG1 4.27Å
942G90.2Very high92.6Very high62 Ų6236.3 Ų36.364%0.63919%0.188SC*.  trans80.4-22.3169.600000116.4W938 K939 A940 K944W938-G942 PolarHBondContact O-N 2.94Å; K939-G942 WeakPolarHBondContact O-CA 3.43Å; K939-G942 PolarHBondContact O-N 3.43Å; A940-G942 VanDerWaalsContact C-N 3.29Å; G942-K944 PolarHBondContact O-N 3.13Å
943N90.7Very high92.5Very high49 Ų4937 Ų3726%0.26219%0.189SC..  trans-90.9103.1178.3-175.5-4.3000112.2Y941 K945 A946 E1006Y941-N943 VanDerWaalsContact C-N 3.25Å; Y941-N943 HydrophobicContact CD1-CB 3.91Å; Y941-N943 HydrophobicContact CE1-CB 3.84Å; Y941-N943 PolarHBondContact O-N 3.31Å; Y941-N943 VanDerWaalsContact O-N 3.11Å; N943-K945 PolarHBondContact O-N 3.41Å; N943-K945 VanDerWaalsContact O-N 3.12Å; N943-K945 PolarHBondContact OD1-N 3.22Å; N943-A946 HydrophobicContact CB-CB 3.99Å; N943-A946 WeakPolarHBondContact O-CB 3.35Å; N943-A946 PolarHBondContact O-N 2.85Å; N943-E1006 PolarHBondContact ND2-OE1 3.41Å; N943-E1006 PolarHBondContact ND2-OE2 3.11Å
944K86.4Confident92.3Very high169 Ų16939.3 Ų39.374%0.73520%0.202SC*.THydrogen-bonded Turntrans-60.6-17.2177.4-66.6-170.3177.9-170.30115W938 G942W938-K944 HydrophobicContact CH2-CB 4.46Å; W938-K944 HydrophobicContact CH2-CG 4.43Å; W938-K944 HydrophobicContact CZ2-CB 4.4Å; W938-K944 WeakPolarHBondContact CZ2-O 3.46Å; G942-K944 PolarHBondContact O-N 3.13Å
945K87.9Confident91.9Very high180 Ų18046.7 Ų46.778%0.78324%0.236SC*.THydrogen-bonded Turntrans-91.1-8.6176.1-67-177.1177.8-179.80113.2N943N943-K945 PolarHBondContact O-N 3.41Å; N943-K945 VanDerWaalsContact O-N 3.12Å; N943-K945 PolarHBondContact OD1-N 3.22Å
946A92.4Very high91.2Very high1 Ų146.2 Ų46.21%0.00824%0.236CC..PPolyproline II helixtrans-77.9134.1-177.300000111W938 Y941 N943 E1006W938-A946 PolarHBondContact NE1-O 3.4Å; Y941-A946 HydrophobicContact CD1-CB 3.82Å; Y941-A946 HydrophobicContact CE1-CB 3.64Å; N943-A946 HydrophobicContact CB-CB 3.99Å; N943-A946 WeakPolarHBondContact O-CB 3.35Å; N943-A946 PolarHBondContact O-N 2.85Å; A946-E1006 CarbonylContact C-O 3.44Å; A946-E1006 WeakPolarHBondContact CA-O 3.31Å; A946-E1006 HydrophobicContact CB-CB 4.41Å
947V94.6Very high90.3Very high6 Ų652.3 Ų52.34%0.03626%0.257CS..EExtended strand (participates in β ladder)trans-79157.4-177.8-58.60000111.9I949 T978 V980 V1005 E1006 I1007 G1008V947-I949 HydrophobicContact CG2-CD1 4.08Å; V947-I949 HydrophobicContact CG2-CG1 4.37Å; V947-T978 VanDerWaalsContact CA-O 3.31Å; V947-T978 WeakPolarHBondContact CA-O 3.36Å; V947-T978 WeakPolarHBondContact CB-O 3.37Å; V947-T978 HydrophobicContact CG1-CG2 3.96Å; V947-V980 HydrophobicContact CG1-CG2 4.49Å; V947-V1005 HydrophobicContact CG1-CB 4.49Å; V947-V1005 HydrophobicContact CG1-CG1 3.6Å; V947-E1006 PolarHBondContact N-O 2.97Å; V947-I1007 HydrophobicContact CG2-CB 4.2Å; V947-I1007 HydrophobicContact CG2-CG1 3.49Å; V947-I1007 VanDerWaalsContact CG2-CG1 3.49Å; V947-G1008 PolarHBondContact O-N 3.08Å
948V95.4Very high89.5Confident0 Ų053.7 Ų53.70%026%0.264CS..EExtended strand (participates in β ladder)trans-102.9116.3168.1178.30000109.5W938 F950 F969 T978 V979 V980 V1009W938-V948 HydrophobicContact CB-CG2 4.2Å; W938-V948 HydrophobicContact CG-CG2 4.07Å; V948-F950 HydrophobicContact CG1-CD2 4.29Å; V948-F950 HydrophobicContact CG1-CE2 4.18Å; V948-F969 HydrophobicContact CB-CE1 4.34Å; V948-F969 HydrophobicContact CB-CZ 4.18Å; V948-F969 HydrophobicContact CG2-CE1 4.09Å; V948-F969 HydrophobicContact CG2-CE2 4.22Å; V948-F969 HydrophobicContact CG2-CZ 3.51Å; V948-T978 PolarHBondContact N-O 3.44Å; V948-V979 WeakPolarHBondContact O-CA 3.44Å; V948-V980 PolarHBondContact O-N 2.65Å; V948-V1009 HydrophobicContact CB-CB 4.39Å; V948-V1009 HydrophobicContact CG1-CB 3.99Å; V948-V1009 HydrophobicContact CG1-CG1 4.25Å; V948-V1009 HydrophobicContact CG2-CB 3.96Å; V948-V1009 HydrophobicContact CG2-CG2 4.15Å
949I96Very high89.2Confident1 Ų156.5 Ų56.51%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-86.9120.4177.3-62.9-64.3000109.8V947 M951 V980 L982 L1000 I1007 V1009 V1010 Y1011V947-I949 HydrophobicContact CG2-CD1 4.08Å; V947-I949 HydrophobicContact CG2-CG1 4.37Å; I949-M951 HydrophobicContact CG2-CB 4.34Å; I949-M951 HydrophobicContact CG2-CE 4.19Å; I949-V980 CarbonylContact C-O 3.41Å; I949-V980 WeakPolarHBondContact CA-O 3.49Å; I949-V980 HydrophobicContact CD1-CB 3.89Å; I949-V980 HydrophobicContact CD1-CG1 4.03Å; I949-L982 HydrophobicContact CG2-CB 3.92Å; I949-L982 HydrophobicContact CG2-CD2 4.43Å; I949-L1000 HydrophobicContact CD1-CD1 4.32Å; I949-I1007 HydrophobicContact CB-CG2 4.33Å; I949-I1007 HydrophobicContact CD1-CD1 4.06Å; I949-I1007 HydrophobicContact CD1-CG1 4.1Å; I949-I1007 HydrophobicContact CG1-CB 4.29Å; I949-I1007 HydrophobicContact CG1-CD1 3.78Å; I949-I1007 HydrophobicContact CG1-CG1 3.74Å; I949-I1007 HydrophobicContact CG1-CG2 3.54Å; I949-V1009 PolarHBondContact N-O 3.12Å; I949-V1010 HydrophobicContact CB-CG1 4.44Å; I949-V1010 HydrophobicContact CB-CG2 4.33Å; I949-V1010 HydrophobicContact CG2-CG1 4.34Å; I949-Y1011 PolarHBondContact O-N 3.44Å
950F95.1Very high88.8Confident0 Ų055.2 Ų55.20%029%0.286CS..EExtended strand (participates in β ladder)trans-88104159.2-83.2-128.1000107.3L934 V948 I952 I965 E966 V979 V980 R981 L982 Y1011L934-F950 HydrophobicContact CD1-CE2 4.27Å; L934-F950 HydrophobicContact CD1-CZ 3.94Å; V948-F950 HydrophobicContact CG1-CD2 4.29Å; V948-F950 HydrophobicContact CG1-CE2 4.18Å; F950-I952 HydrophobicContact CB-CG2 4.39Å; F950-I965 HydrophobicContact CE1-CG2 4.31Å; F950-I965 HydrophobicContact CZ-CG2 4.15Å; F950-E966 HydrophobicContact CE1-CB 4Å; F950-E966 HydrophobicContact CZ-CB 4Å; F950-V979 HydrophobicContact CD2-CG1 3.45Å; F950-V979 VanDerWaalsContact CD2-CG1 3.45Å; F950-V979 HydrophobicContact CE2-CG1 3.7Å; F950-V979 HydrophobicContact CG-CG1 4.28Å; F950-V980 PolarHBondContact N-O 3.02Å; F950-R981 HydrophobicContact CB-CG 4.27Å; F950-R981 WeakPolarHBondContact O-CA 3.21Å; F950-L982 PolarHBondContact O-N 2.88Å; F950-Y1011 AromaticContact CD1-CD1 3.78Å; F950-Y1011 HydrophobicContact CD1-CD1 3.78Å; F950-Y1011 HydrophobicContact CD1-CE1 4.27Å; F950-Y1011 HydrophobicContact CD2-CD1 4.29Å; F950-Y1011 AromaticContact CE1-CD1 3.6Å; F950-Y1011 HydrophobicContact CE1-CD1 3.6Å; F950-Y1011 AromaticContact CE1-CE1 3.83Å; F950-Y1011 HydrophobicContact CE1-CE1 3.83Å; F950-Y1011 HydrophobicContact CE2-CD1 4.12Å; F950-Y1011 HydrophobicContact CG-CD1 4.13Å; F950-Y1011 AromaticContact CZ-CD1 3.78Å; F950-Y1011 HydrophobicContact CZ-CD1 3.78Å; F950-Y1011 HydrophobicContact CZ-CE1 4.21Å
951M95.2Very high88.6Confident1 Ų153.3 Ų53.31%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-82.9119.1177.7-167.767.877.200109.2I949 L982 F984 L991 V1010 Y1011 F1012 R1013 T1014 I1033I949-M951 HydrophobicContact CG2-CB 4.34Å; I949-M951 HydrophobicContact CG2-CE 4.19Å; M951-L982 WeakPolarHBondContact CA-O 3.33Å; M951-L982 HydrophobicContact CE-CD2 3.91Å; M951-L982 HydrophobicContact CE-CG 4.37Å; M951-L982 HydrophobicContact SD-CB 4.18Å; M951-L982 HydrophobicContact SD-CD2 4.17Å; M951-L982 HydrophobicContact SD-CG 3.96Å; M951-F984 HydrophobicContact CG-CB 4.38Å; M951-F984 HydrophobicContact CG-CD2 3.86Å; M951-F984 HydrophobicContact CG-CG 4.46Å; M951-F984 HydrophobicContact SD-CB 4.34Å; M951-F984 HydrophobicContact SD-CD2 3.92Å; M951-L991 HydrophobicContact CE-CD1 4.19Å; M951-V1010 HydrophobicContact CB-CG1 4.28Å; M951-V1010 HydrophobicContact CE-CG1 4.43Å; M951-Y1011 PolarHBondContact N-O 2.95Å; M951-F1012 HydrophobicContact CB-CD1 3.98Å; M951-F1012 HydrophobicContact CB-CE1 4.33Å; M951-F1012 HydrophobicContact CG-CD1 3.98Å; M951-F1012 HydrophobicContact CG-CE1 4.06Å; M951-R1013 PolarHBondContact O-N 3.26Å; M951-T1014 HydrophobicContact CB-CG2 4.22Å; M951-T1014 HydrophobicContact CG-CG2 3.63Å; M951-T1014 WeakPolarHBondContact O-CG2 3.22Å; M951-I1033 HydrophobicContact CE-CD1 3.57Å
952I93.8Very high88.5Confident14 Ų1451.5 Ų51.57%0.07226%0.263CS..EExtended strand (participates in β ladder)trans-128.2157.6-166.460.2165.1000113.2F950 P956 Q962 R981 L982 K983 F984F950-I952 HydrophobicContact CB-CG2 4.39Å; I952-P956 HydrophobicContact CD1-CG 4.43Å; I952-Q962 VanDerWaalsContact CG2-OE1 3.24Å; I952-R981 HydrophobicContact CD1-CB 4.19Å; I952-L982 WeakPolarHBondContact CG1-O 3.45Å; I952-L982 PolarHBondContact N-O 3.28Å; I952-K983 HydrophobicContact CG1-CG 4.5Å; I952-K983 WeakPolarHBondContact O-CA 3.46Å; I952-F984 PolarHBondContact O-N 3.07Å
953E88.6Confident88.5Confident35 Ų3554.5 Ų54.516%0.16426%0.255CS..  trans-61.6162.7163.6-66.1161.7-153.100111.6H955 P956 Y1016E953-H955 VanDerWaalsContact C-N 3.31Å; E953-H955 PolarHBondContact O-N 2.86Å; E953-P956 HydrophobicContact CB-CB 4.33Å; E953-P956 WeakPolarHBondContact O-CD 3.43Å; E953-Y1016 PolarHBondContact OE1-OH 2.6Å
954D85.6Confident88.5Confident50 Ų5055.3 Ų55.327%0.26726%0.259SS..SBendtrans-66.6-32176.8-95.948.7000114.3K983 N985D954-K983 VanDerWaalsContact CG-NZ 3.33Å; D954-K983 VanDerWaalsContact O-CE 3.25Å; D954-K983 WeakPolarHBondContact O-CE 3.36Å; D954-K983 PolarHBondContact O-NZ 2.97Å; D954-K983 VanDerWaalsContact O-NZ 3.12Å; D954-K983 IonicContact OD1-NZ 2.74Å; D954-K983 IonicContact OD2-NZ 2.7Å; D954-K983 PolarHBondContact OD2-NZ 3.36Å; D954-N985 PolarHBondContact OD1-ND2 3.28Å; D954-N985 PolarHBondContact OD1-OD1 2.75Å; D954-N985 VanDerWaalsContact OD1-OD1 3.09Å; D954-N985 PolarHBondContact OD2-ND2 3.2Å
955H85.1Confident88.7Confident155 Ų15547.3 Ų47.372%0.71822%0.224SC*.SBendtrans-136.465.6-177.7-61.1-63.2000110.3E953 R957E953-H955 VanDerWaalsContact C-N 3.31Å; E953-H955 PolarHBondContact O-N 2.86Å; H955-R957 PolarHBondContact O-N 2.89Å
956P79.8Confident88.9Confident20 Ų2039.2 Ų39.213%0.1319%0.189CC..  trans-69103.1-166.827.8-33.4000111I952 E953 N958 I959I952-P956 HydrophobicContact CD1-CG 4.43Å; E953-P956 HydrophobicContact CB-CB 4.33Å; E953-P956 WeakPolarHBondContact O-CD 3.43Å; P956-N958 PolarHBondContact O-N 2.86Å; P956-N958 VanDerWaalsContact O-N 3.13Å; P956-I959 HydrophobicContact CG-CB 4.29Å; P956-I959 HydrophobicContact CG-CD1 4.41Å; P956-I959 WeakPolarHBondContact O-CB 3.29Å; P956-I959 PolarHBondContact O-N 3.01Å; P956-I959 VanDerWaalsContact O-N 3.11Å
957R73.5Confident88.8Confident173 Ų17343 Ų4365%0.65321%0.206SC*.THydrogen-bonded Turntrans-62.3-24.7-175-59.2-173.7-175.4-175.74.8113.2H955 M1210H955-R957 PolarHBondContact O-N 2.89Å; R957-M1210 HydrophobicContact CB-CE 3.45Å; R957-M1210 VanDerWaalsContact CB-CE 3.45Å; R957-M1210 PolarHBondContact NH1-O 2.74Å; R957-M1210 VanDerWaalsContact O-CE 3.27Å; R957-M1210 WeakPolarHBondContact O-CE 3.25Å
958N78.1Confident88.5Confident28 Ų2844.3 Ų44.315%0.1521%0.212CC..THydrogen-bonded Turntrans-97.722.4179.265.68.8000113.5P956 A960 D961 Q962 R1013 M1210P956-N958 PolarHBondContact O-N 2.86Å; P956-N958 VanDerWaalsContact O-N 3.13Å; N958-A960 PolarHBondContact O-N 3.19Å; N958-D961 VanDerWaalsContact O-CB 3.31Å; N958-D961 WeakPolarHBondContact O-CB 3.22Å; N958-D961 PolarHBondContact O-N 3.08Å; N958-Q962 PolarHBondContact O-N 2.82Å; N958-Q962 PolarHBondContact OD1-NE2 3.22Å; N958-R1013 PolarHBondContact ND2-NH2 2.82Å; N958-M1210 HydrophobicContact CB-CE 4.45Å
959I86.8Confident88.2Confident76 Ų7644.3 Ų44.339%0.3921%0.212SC..Hα-helixtrans-49.9-35.3-175.6-169.5166.9000114.7P956 D961 Q962 R963P956-I959 HydrophobicContact CG-CB 4.29Å; P956-I959 HydrophobicContact CG-CD1 4.41Å; P956-I959 WeakPolarHBondContact O-CB 3.29Å; P956-I959 PolarHBondContact O-N 3.01Å; P956-I959 VanDerWaalsContact O-N 3.11Å; I959-D961 PolarHBondContact O-N 2.93Å; I959-Q962 PolarHBondContact O-N 2.84Å; I959-R963 HydrophobicContact CG1-CG 3.99Å; I959-R963 WeakPolarHBondContact O-CG 3.47Å; I959-R963 PolarHBondContact O-N 2.82Å
960A85Confident87.8Confident61 Ų6146.4 Ų46.450%0.50422%0.222SC..Hα-helixtrans-64.4-36.3177.900000113N958 L964N958-A960 PolarHBondContact O-N 3.19Å; A960-L964 WeakPolarHBondContact O-CD1 3.46Å; A960-L964 VanDerWaalsContact O-CG 3.28Å; A960-L964 WeakPolarHBondContact O-CG 3.43Å; A960-L964 PolarHBondContact O-N 2.75Å
961D87.9Confident87.4Confident0 Ų049.6 Ų49.60%024%0.239CC..Hα-helixtrans-64-46172.8-177.162.1000110.5L892 A893 A894 I895 N958 I959 I965 R1013L892-D961 WeakPolarHBondContact CA-OD1 3.24Å; L892-D961 VanDerWaalsContact N-CG 3.26Å; L892-D961 PolarHBondContact N-OD1 2.92Å; L892-D961 PolarHBondContact N-OD2 3.33Å; A893-D961 PolarHBondContact N-OD1 3.49Å; A893-D961 VanDerWaalsContact N-OD1 3.11Å; A894-D961 WeakPolarHBondContact CB-O 3.34Å; A894-D961 PolarHBondContact N-OD1 2.94Å; I895-D961 HydrophobicContact CD1-CB 3.88Å; I895-D961 HydrophobicContact CG1-CB 3.97Å; I895-D961 PolarHBondContact N-OD1 3.34Å; N958-D961 VanDerWaalsContact O-CB 3.31Å; N958-D961 WeakPolarHBondContact O-CB 3.22Å; N958-D961 PolarHBondContact O-N 3.08Å; I959-D961 PolarHBondContact O-N 2.93Å; D961-I965 WeakPolarHBondContact O-CD1 3.44Å; D961-I965 WeakPolarHBondContact O-CG1 3.22Å; D961-I965 PolarHBondContact O-N 2.94Å; D961-R1013 IonicContact OD2-CZ 3.54Å; D961-R1013 IonicContact OD2-NH1 2.72Å; D961-R1013 PolarHBondContact OD2-NH1 2.87Å; D961-R1013 IonicContact OD2-NH2 3.18Å; D961-R1013 PolarHBondContact OD2-NH2 2.95Å
962Q90Very high86.9Confident0 Ų051.5 Ų51.50%025%0.249CC..Hα-helixtrans-65.6-47.2-178.1-55.6-175.51100112.5I952 N958 I959 L964 I965 E966 R1013I952-Q962 VanDerWaalsContact CG2-OE1 3.24Å; N958-Q962 PolarHBondContact O-N 2.82Å; N958-Q962 PolarHBondContact OD1-NE2 3.22Å; I959-Q962 PolarHBondContact O-N 2.84Å; Q962-L964 VanDerWaalsContact C-N 3.28Å; Q962-L964 PolarHBondContact O-N 3.08Å; Q962-I965 WeakPolarHBondContact O-CB 3.43Å; Q962-I965 PolarHBondContact O-N 3.5Å; Q962-I965 VanDerWaalsContact O-N 3.12Å; Q962-E966 WeakPolarHBondContact O-CB 3.33Å; Q962-E966 PolarHBondContact O-N 3.28Å; Q962-R1013 HydrophobicContact CG-CG 4.37Å
963R91.5Very high86.4Confident126 Ų12651 Ų5148%0.47525%0.247SC..Hα-helixtrans-64.3-30.3-178.9-73.8-66.5-162.7163.28.2112.9I959 E966 H967 R981I959-R963 HydrophobicContact CG1-CG 3.99Å; I959-R963 WeakPolarHBondContact O-CG 3.47Å; I959-R963 PolarHBondContact O-N 2.82Å; R963-E966 VanDerWaalsContact CD-OE1 3.3Å; R963-E966 WeakPolarHBondContact CD-OE1 3.27Å; R963-E966 IonicContact CZ-OE1 3.74Å; R963-E966 IonicContact NE-OE1 2.65Å; R963-E966 IonicContact NH1-OE1 3.56Å; R963-E966 PolarHBondContact NH1-OE1 3.29Å; R963-H967 WeakPolarHBondContact O-CB 3.48Å; R963-H967 PolarHBondContact O-N 2.8Å; R963-R981 VanDerWaalsContact CZ-CD 3.44Å
964L90.1Very high86.2Confident66 Ų6652.9 Ų52.935%0.34626%0.255SS..Hα-helixtrans-75-28.3174.8-72.1172.5000113A894 V898 K927 A960 Q962 Q968A894-L964 HydrophobicContact CB-CB 3.42Å; A894-L964 VanDerWaalsContact CB-CB 3.42Å; A894-L964 HydrophobicContact CB-CD1 3.99Å; A894-L964 HydrophobicContact CB-CG 4.37Å; V898-L964 HydrophobicContact CG2-CD1 4.34Å; K927-L964 HydrophobicContact CD-CB 4.4Å; K927-L964 WeakPolarHBondContact CD-O 3.4Å; A960-L964 WeakPolarHBondContact O-CD1 3.46Å; A960-L964 VanDerWaalsContact O-CG 3.28Å; A960-L964 WeakPolarHBondContact O-CG 3.43Å; A960-L964 PolarHBondContact O-N 2.75Å; Q962-L964 VanDerWaalsContact C-N 3.28Å; Q962-L964 PolarHBondContact O-N 3.08Å; L964-Q968 WeakPolarHBondContact O-CB 3.4Å; L964-Q968 PolarHBondContact O-N 2.79Å
965I90.7Very high85.6Confident0 Ų055.9 Ų55.90%026%0.264CS..Hα-helixtrans-71.2-48.4170.6-64.8158.3000109.6A893 A894 V930 L934 F950 D961 Q962 Q968 F969 Y1011A893-I965 HydrophobicContact CB-CD1 4.42Å; A894-I965 HydrophobicContact CB-CG1 4.13Å; V930-I965 HydrophobicContact CB-CG2 4.32Å; V930-I965 HydrophobicContact CG1-CD1 4.07Å; V930-I965 HydrophobicContact CG1-CG1 4.23Å; V930-I965 HydrophobicContact CG1-CG2 3.56Å; L934-I965 HydrophobicContact CD1-CG2 3.9Å; F950-I965 HydrophobicContact CE1-CG2 4.31Å; F950-I965 HydrophobicContact CZ-CG2 4.15Å; D961-I965 WeakPolarHBondContact O-CD1 3.44Å; D961-I965 WeakPolarHBondContact O-CG1 3.22Å; D961-I965 PolarHBondContact O-N 2.94Å; Q962-I965 WeakPolarHBondContact O-CB 3.43Å; Q962-I965 PolarHBondContact O-N 3.5Å; Q962-I965 VanDerWaalsContact O-N 3.12Å; I965-Q968 PolarHBondContact O-N 3.07Å; I965-F969 PolarHBondContact O-N 2.93Å; I965-Y1011 HydrophobicContact CG2-CE1 4.39Å
966E91.8Very high85.3Confident11 Ų1151.2 Ų51.25%0.05125%0.252CS..Hα-helixtrans-52.1-57.2176.4-178.3175.7129.900111.4F950 Q962 R963 Q968 F969 E970 V979 R981F950-E966 HydrophobicContact CE1-CB 4Å; F950-E966 HydrophobicContact CZ-CB 4Å; Q962-E966 WeakPolarHBondContact O-CB 3.33Å; Q962-E966 PolarHBondContact O-N 3.28Å; R963-E966 VanDerWaalsContact CD-OE1 3.3Å; R963-E966 WeakPolarHBondContact CD-OE1 3.27Å; R963-E966 IonicContact CZ-OE1 3.74Å; R963-E966 IonicContact NE-OE1 2.65Å; R963-E966 IonicContact NH1-OE1 3.56Å; R963-E966 PolarHBondContact NH1-OE1 3.29Å; E966-Q968 VanDerWaalsContact C-N 3.29Å; E966-Q968 PolarHBondContact O-N 2.86Å; E966-F969 WeakPolarHBondContact O-CB 3.47Å; E966-F969 PolarHBondContact O-N 3.36Å; E966-E970 WeakPolarHBondContact O-CG 3.35Å; E966-E970 PolarHBondContact O-N 3.44Å; E966-V979 HydrophobicContact CG-CB 4.45Å; E966-V979 HydrophobicContact CG-CG1 4.02Å; E966-R981 VanDerWaalsContact OE2-CD 3.28Å; E966-R981 WeakPolarHBondContact OE2-CD 3.32Å; E966-R981 IonicContact OE2-CZ 3.74Å; E966-R981 IonicContact OE2-NE 3.39Å; E966-R981 IonicContact OE2-NH1 2.81Å; E966-R981 PolarHBondContact OE2-NH1 3.04Å
967H89.7Confident85.3Confident80 Ų8050.4 Ų50.437%0.3725%0.247SC..Hα-helixtrans-60.7-34.6177.2-179.351.7000113.5R963 E970 L971R963-H967 WeakPolarHBondContact O-CB 3.48Å; R963-H967 PolarHBondContact O-N 2.8Å; H967-E970 WeakPolarHBondContact CA-OE2 3.38Å; H967-E970 IonicContact ND1-OE2 2.67Å; H967-L971 WeakPolarHBondContact O-CB 3.47Å; H967-L971 VanDerWaalsContact O-CG 3.29Å; H967-L971 WeakPolarHBondContact O-CG 3.44Å; H967-L971 PolarHBondContact O-N 2.61Å; H967-L971 VanDerWaalsContact O-N 3.11Å
968Q89.1Confident86.1Confident34 Ų3446.2 Ų46.216%0.15924%0.241CC..Hα-helixtrans-73.1-29.1175.9-17359.976.400112.7K927 S931 L964 I965 E966 L972K927-Q968 HydrophobicContact CD-CB 4.13Å; K927-Q968 HydrophobicContact CD-CG 4.44Å; K927-Q968 VanDerWaalsContact CE-OE1 3.22Å; K927-Q968 HydrophobicContact CG-CB 4.23Å; K927-Q968 HydrophobicContact CG-CG 4.42Å; S931-Q968 WeakPolarHBondContact OG-CG 3.39Å; L964-Q968 WeakPolarHBondContact O-CB 3.4Å; L964-Q968 PolarHBondContact O-N 2.79Å; I965-Q968 PolarHBondContact O-N 3.07Å; E966-Q968 VanDerWaalsContact C-N 3.29Å; E966-Q968 PolarHBondContact O-N 2.86Å; Q968-L972 HydrophobicContact CG-CD1 4.37Å; Q968-L972 VanDerWaalsContact O-CD1 3.31Å; Q968-L972 WeakPolarHBondContact O-CD1 3.5Å; Q968-L972 WeakPolarHBondContact O-CG 3.3Å; Q968-L972 PolarHBondContact O-N 3.45Å
969F89.2Confident86.7Confident0 Ų046.1 Ų46.10%024%0.241CC..Hα-helixtrans-71.1-45.4172.8165.7-84.8000110.8L934 F935 W938 V948 I965 E966 L971 L972 S973 A977 V979L934-F969 HydrophobicContact CB-CD2 3.61Å; L934-F969 HydrophobicContact CB-CE2 4.01Å; F935-F969 HydrophobicContact CB-CD2 4.16Å; F935-F969 HydrophobicContact CB-CE2 4.2Å; W938-F969 HydrophobicContact CB-CE2 4.26Å; W938-F969 HydrophobicContact CB-CZ 4.28Å; W938-F969 HydrophobicContact CG-CZ 4.35Å; V948-F969 HydrophobicContact CB-CE1 4.34Å; V948-F969 HydrophobicContact CB-CZ 4.18Å; V948-F969 HydrophobicContact CG2-CE1 4.09Å; V948-F969 HydrophobicContact CG2-CE2 4.22Å; V948-F969 HydrophobicContact CG2-CZ 3.51Å; I965-F969 PolarHBondContact O-N 2.93Å; E966-F969 WeakPolarHBondContact O-CB 3.47Å; E966-F969 PolarHBondContact O-N 3.36Å; F969-L971 VanDerWaalsContact C-N 3.34Å; F969-L971 PolarHBondContact O-N 3.08Å; F969-L972 WeakPolarHBondContact O-CB 3.33Å; F969-L972 PolarHBondContact O-N 2.83Å; F969-S973 PolarHBondContact O-N 3.46Å; F969-S973 PolarHBondContact O-OG 2.85Å; F969-A977 HydrophobicContact CE1-CB 3.51Å; F969-A977 HydrophobicContact CZ-CB 3.53Å; F969-V979 HydrophobicContact CD1-CG2 3.45Å; F969-V979 VanDerWaalsContact CD1-CG2 3.45Å; F969-V979 HydrophobicContact CE1-CG2 3.48Å; F969-V979 VanDerWaalsContact CE1-CG2 3.48Å
970E88Confident87Confident45 Ų4544.3 Ų44.321%0.2123%0.234CC..Hα-helixtrans-55.4-49.9176.1-69.7168.6163.700110.8E966 H967 L972 S973 Y975 V979E966-E970 WeakPolarHBondContact O-CG 3.35Å; E966-E970 PolarHBondContact O-N 3.44Å; H967-E970 WeakPolarHBondContact CA-OE2 3.38Å; H967-E970 IonicContact ND1-OE2 2.67Å; E970-L972 PolarHBondContact O-N 2.8Å; E970-S973 PolarHBondContact O-N 3.46Å; E970-S973 PolarHBondContact O-OG 2.97Å; E970-Y975 HydrophobicContact CB-CD1 3.74Å; E970-Y975 HydrophobicContact CB-CE1 3.83Å; E970-Y975 PolarHBondContact O-N 3.34Å; E970-Y975 VanDerWaalsContact O-N 3.08Å; E970-V979 HydrophobicContact CG-CG2 4.02Å
971L85.1Confident87.5Confident66 Ų6643.7 Ų43.735%0.34622%0.218SC..Hα-helixtrans-59.8-25.7174.1-76.5172000115H967 F969 S973 Y975H967-L971 WeakPolarHBondContact O-CB 3.47Å; H967-L971 VanDerWaalsContact O-CG 3.29Å; H967-L971 WeakPolarHBondContact O-CG 3.44Å; H967-L971 PolarHBondContact O-N 2.61Å; H967-L971 VanDerWaalsContact O-N 3.11Å; F969-L971 VanDerWaalsContact C-N 3.34Å; F969-L971 PolarHBondContact O-N 3.08Å; L971-S973 VanDerWaalsContact C-N 3.29Å; L971-Y975 HydrophobicContact CD2-CE2 4.04Å; L971-Y975 VanDerWaalsContact CD2-OH 3.3Å; L971-Y975 WeakPolarHBondContact CD2-OH 3.41Å
972L86.5Confident87.8Confident41 Ų4143.9 Ų43.922%0.21522%0.219CC..THydrogen-bonded Turntrans-85.1-4.2176.6-78.1165.4000112.7S931 V932 F935 Q968 F969 E970S931-L972 VanDerWaalsContact OG-CD1 3.24Å; S931-L972 WeakPolarHBondContact OG-CD1 3.37Å; V932-L972 HydrophobicContact CB-CD1 4.37Å; V932-L972 HydrophobicContact CG2-CD1 3.52Å; V932-L972 HydrophobicContact CG2-CD2 4.18Å; F935-L972 HydrophobicContact CB-CB 4.4Å; F935-L972 HydrophobicContact CD1-CB 4.34Å; F935-L972 VanDerWaalsContact CE1-O 3.29Å; F935-L972 WeakPolarHBondContact CE1-O 3.39Å; F935-L972 WeakPolarHBondContact CE2-O 3.41Å; F935-L972 HydrophobicContact CG-CB 4.22Å; F935-L972 WeakPolarHBondContact CZ-O 3.34Å; Q968-L972 HydrophobicContact CG-CD1 4.37Å; Q968-L972 VanDerWaalsContact O-CD1 3.31Å; Q968-L972 WeakPolarHBondContact O-CD1 3.5Å; Q968-L972 WeakPolarHBondContact O-CG 3.3Å; Q968-L972 PolarHBondContact O-N 3.45Å; F969-L972 WeakPolarHBondContact O-CB 3.33Å; F969-L972 PolarHBondContact O-N 2.83Å; E970-L972 PolarHBondContact O-N 2.8Å
973S83.3Confident88Confident5 Ų546.5 Ų46.54%0.03523%0.23CC..THydrogen-bonded Turntrans-121.29.4-16972.10000114.1F969 E970 L971 Y975 A976F969-S973 PolarHBondContact O-N 3.46Å; F969-S973 PolarHBondContact O-OG 2.85Å; E970-S973 PolarHBondContact O-N 3.46Å; E970-S973 PolarHBondContact O-OG 2.97Å; L971-S973 VanDerWaalsContact C-N 3.29Å; S973-Y975 PolarHBondContact O-N 2.83Å; S973-A976 WeakPolarHBondContact O-CA 3.12Å; S973-A976 WeakPolarHBondContact O-CB 3.27Å; S973-A976 PolarHBondContact O-N 2.87Å
974E83.4Confident88.1Confident73 Ų7340.7 Ų40.734%0.34121%0.209SC..THydrogen-bonded Turntrans72.210.2-172.556.666.6147.900113E299 A976E299-E974 WeakPolarHBondContact CA-OE1 3.49Å; E299-E974 WeakPolarHBondContact CB-OE1 3.43Å; E299-E974 VanDerWaalsContact CD-CG 3.44Å; E299-E974 WeakPolarHBondContact OE1-CG 3.31Å; E299-E974 WeakPolarHBondContact OE2-CG 3.39Å; E974-A976 PolarHBondContact O-N 3.02Å; E974-A976 VanDerWaalsContact O-N 3.12Å
975Y73.5Confident88.2Confident114 Ų11439.5 Ų39.545%0.44720%0.203SC..THydrogen-bonded Turntrans54.212.4-154.8-59-95000114.3E970 L971 S973 A977E970-Y975 HydrophobicContact CB-CD1 3.74Å; E970-Y975 HydrophobicContact CB-CE1 3.83Å; E970-Y975 PolarHBondContact O-N 3.34Å; E970-Y975 VanDerWaalsContact O-N 3.08Å; L971-Y975 HydrophobicContact CD2-CE2 4.04Å; L971-Y975 VanDerWaalsContact CD2-OH 3.3Å; L971-Y975 WeakPolarHBondContact CD2-OH 3.41Å; S973-Y975 PolarHBondContact O-N 2.83Å; Y975-A977 VanDerWaalsContact C-N 3.29Å; Y975-A977 PolarHBondContact O-N 3.12Å
976A77.7Confident88.3Confident57 Ų5743.5 Ų43.547%0.47122%0.221SC..  trans-71.7-23.3179.100000112.7W938 S973 E974W938-A976 HydrophobicContact CH2-CB 4.37Å; S973-A976 WeakPolarHBondContact O-CA 3.12Å; S973-A976 WeakPolarHBondContact O-CB 3.27Å; S973-A976 PolarHBondContact O-N 2.87Å; E974-A976 PolarHBondContact O-N 3.02Å; E974-A976 VanDerWaalsContact O-N 3.12Å
977A81.1Confident88.4Confident3 Ų343 Ų433%0.02522%0.219CC..SBendtrans-90.6106.2175.900000111.4W938 F969 Y975 V979W938-A977 HydrophobicContact CD2-CB 3.77Å; W938-A977 VanDerWaalsContact CE2-CB 3.47Å; W938-A977 HydrophobicContact CE3-CB 4.12Å; W938-A977 HydrophobicContact CG-CB 4.34Å; W938-A977 HydrophobicContact CH2-CB 3.89Å; W938-A977 HydrophobicContact CZ2-CB 3.53Å; W938-A977 HydrophobicContact CZ3-CB 4.18Å; F969-A977 HydrophobicContact CE1-CB 3.51Å; F969-A977 HydrophobicContact CZ-CB 3.53Å; Y975-A977 VanDerWaalsContact C-N 3.29Å; Y975-A977 PolarHBondContact O-N 3.12Å; A977-V979 PolarHBondContact O-N 2.96Å
978T89.3Confident88.7Confident85 Ų8541.2 Ų41.252%0.52122%0.215SC..  trans-68.2120.6175.6-62.50000111.4V947 V948 V980V947-T978 VanDerWaalsContact CA-O 3.31Å; V947-T978 WeakPolarHBondContact CA-O 3.36Å; V947-T978 WeakPolarHBondContact CB-O 3.37Å; V947-T978 HydrophobicContact CG1-CG2 3.96Å; V948-T978 PolarHBondContact N-O 3.44Å; T978-V980 HydrophobicContact CG2-CG2 4.26Å
979V91.8Very high88.9Confident25 Ų2548.5 Ų48.515%0.15225%0.246CC..EExtended strand (participates in β ladder)trans-97.3133.8174.4-171.60000110.9V948 F950 E966 F969 E970 A977V948-V979 WeakPolarHBondContact O-CA 3.44Å; F950-V979 HydrophobicContact CD2-CG1 3.45Å; F950-V979 VanDerWaalsContact CD2-CG1 3.45Å; F950-V979 HydrophobicContact CE2-CG1 3.7Å; F950-V979 HydrophobicContact CG-CG1 4.28Å; E966-V979 HydrophobicContact CG-CB 4.45Å; E966-V979 HydrophobicContact CG-CG1 4.02Å; F969-V979 HydrophobicContact CD1-CG2 3.45Å; F969-V979 VanDerWaalsContact CD1-CG2 3.45Å; F969-V979 HydrophobicContact CE1-CG2 3.48Å; F969-V979 VanDerWaalsContact CE1-CG2 3.48Å; E970-V979 HydrophobicContact CG-CG2 4.02Å; A977-V979 PolarHBondContact O-N 2.96Å
980V93.2Very high89.2Confident39 Ų3951.8 Ų51.824%0.23626%0.258CS..EExtended strand (participates in β ladder)trans-125.8130176.5173.40000110V947 V948 I949 F950 T978 L1000V947-V980 HydrophobicContact CG1-CG2 4.49Å; V948-V980 PolarHBondContact O-N 2.65Å; I949-V980 CarbonylContact C-O 3.41Å; I949-V980 WeakPolarHBondContact CA-O 3.49Å; I949-V980 HydrophobicContact CD1-CB 3.89Å; I949-V980 HydrophobicContact CD1-CG1 4.03Å; F950-V980 PolarHBondContact N-O 3.02Å; T978-V980 HydrophobicContact CG2-CG2 4.26Å; V980-L1000 HydrophobicContact CG1-CD2 4.01Å; V980-L1000 HydrophobicContact CG2-CD2 4.38Å
981R93.9Very high89.6Confident48 Ų4850.4 Ų50.418%0.18125%0.252CS..EExtended strand (participates in β ladder)trans-93115.2175.3-60.917866.577.47.3109.3F950 I952 R963 E966F950-R981 HydrophobicContact CB-CG 4.27Å; F950-R981 WeakPolarHBondContact O-CA 3.21Å; I952-R981 HydrophobicContact CD1-CB 4.19Å; R963-R981 VanDerWaalsContact CZ-CD 3.44Å; E966-R981 VanDerWaalsContact OE2-CD 3.28Å; E966-R981 WeakPolarHBondContact OE2-CD 3.32Å; E966-R981 IonicContact OE2-CZ 3.74Å; E966-R981 IonicContact OE2-NE 3.39Å; E966-R981 IonicContact OE2-NH1 2.81Å; E966-R981 PolarHBondContact OE2-NH1 3.04Å
982L94.6Very high90.1Very high3 Ų353 Ų532%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-115.2125.5-178.1178.657.1000110.3I949 F950 M951 I952 Q986 R990 L991 L1000I949-L982 HydrophobicContact CG2-CB 3.92Å; I949-L982 HydrophobicContact CG2-CD2 4.43Å; F950-L982 PolarHBondContact O-N 2.88Å; M951-L982 WeakPolarHBondContact CA-O 3.33Å; M951-L982 HydrophobicContact CE-CD2 3.91Å; M951-L982 HydrophobicContact CE-CG 4.37Å; M951-L982 HydrophobicContact SD-CB 4.18Å; M951-L982 HydrophobicContact SD-CD2 4.17Å; M951-L982 HydrophobicContact SD-CG 3.96Å; I952-L982 WeakPolarHBondContact CG1-O 3.45Å; I952-L982 PolarHBondContact N-O 3.28Å; L982-Q986 HydrophobicContact CD1-CB 3.88Å; L982-R990 HydrophobicContact CD1-CB 3.73Å; L982-R990 HydrophobicContact CD1-CG 3.74Å; L982-R990 HydrophobicContact CD2-CB 4.28Å; L982-L991 HydrophobicContact CD2-CD1 4.29Å; L982-L991 HydrophobicContact CD2-CD2 3.75Å; L982-L991 HydrophobicContact CD2-CG 3.98Å; L982-L1000 HydrophobicContact CD2-CD1 4.37Å
983K94Very high90.4Very high55 Ų5553.8 Ų53.824%0.23926%0.26CS..EExtended strand (participates in β ladder)trans-68.1138.9170.5-71.5-177.9159.1-149.60110.3I952 D954 N985 Q986 S987I952-K983 HydrophobicContact CG1-CG 4.5Å; I952-K983 WeakPolarHBondContact O-CA 3.46Å; D954-K983 VanDerWaalsContact CG-NZ 3.33Å; D954-K983 VanDerWaalsContact O-CE 3.25Å; D954-K983 WeakPolarHBondContact O-CE 3.36Å; D954-K983 PolarHBondContact O-NZ 2.97Å; D954-K983 VanDerWaalsContact O-NZ 3.12Å; D954-K983 IonicContact OD1-NZ 2.74Å; D954-K983 IonicContact OD2-NZ 2.7Å; D954-K983 PolarHBondContact OD2-NZ 3.36Å; K983-N985 PolarHBondContact O-N 2.79Å; K983-Q986 HydrophobicContact CB-CB 4.21Å; K983-Q986 HydrophobicContact CB-CG 3.89Å; K983-Q986 HydrophobicContact CD-CG 4.5Å; K983-Q986 WeakPolarHBondContact O-CB 3.43Å; K983-Q986 PolarHBondContact O-N 2.86Å; K983-S987 PolarHBondContact O-N 2.98Å
984F93.6Very high90.8Very high4 Ų456.7 Ų56.72%0.01828%0.275CS..G310 helixtrans-63.3-40.2-174.6-167.9-138.4000113.2M951 I952 Q986 S987 F1012 T1014 A1015 Q1020 F1021 V1026 L1030M951-F984 HydrophobicContact CG-CB 4.38Å; M951-F984 HydrophobicContact CG-CD2 3.86Å; M951-F984 HydrophobicContact CG-CG 4.46Å; M951-F984 HydrophobicContact SD-CB 4.34Å; M951-F984 HydrophobicContact SD-CD2 3.92Å; I952-F984 PolarHBondContact O-N 3.07Å; F984-Q986 PolarHBondContact O-N 3.03Å; F984-S987 VanDerWaalsContact O-CB 3.25Å; F984-S987 WeakPolarHBondContact O-CB 3.43Å; F984-S987 PolarHBondContact O-N 2.88Å; F984-S987 VanDerWaalsContact O-N 3.08Å; F984-S987 PolarHBondContact O-OG 2.9Å; F984-F1012 HydrophobicContact CE2-CE1 4.46Å; F984-T1014 HydrophobicContact CB-CG2 3.79Å; F984-T1014 HydrophobicContact CD1-CG2 4.43Å; F984-T1014 HydrophobicContact CD2-CG2 4.42Å; F984-T1014 HydrophobicContact CG-CG2 3.99Å; F984-A1015 HydrophobicContact CD1-CB 4.23Å; F984-A1015 HydrophobicContact CE1-CB 3.61Å; F984-A1015 HydrophobicContact CE2-CB 4.1Å; F984-A1015 HydrophobicContact CZ-CB 3.54Å; F984-Q1020 HydrophobicContact CD1-CB 4.46Å; F984-Q1020 WeakPolarHBondContact CD1-O 3.41Å; F984-F1021 HydrophobicContact CE1-CD1 4.01Å; F984-F1021 HydrophobicContact CE1-CD2 4.22Å; F984-F1021 AromaticContact CE1-CE1 3.64Å; F984-F1021 HydrophobicContact CE1-CE1 3.64Å; F984-F1021 AromaticContact CE1-CE2 3.82Å; F984-F1021 HydrophobicContact CE1-CE2 3.82Å; F984-F1021 HydrophobicContact CE1-CG 4.3Å; F984-F1021 AromaticContact CE1-CZ 3.55Å; F984-F1021 HydrophobicContact CE1-CZ 3.55Å; F984-F1021 HydrophobicContact CZ-CD1 4.27Å; F984-F1021 AromaticContact CZ-CE1 3.59Å; F984-F1021 HydrophobicContact CZ-CE1 3.59Å; F984-F1021 HydrophobicContact CZ-CE2 4.4Å; F984-F1021 AromaticContact CZ-CZ 3.67Å; F984-F1021 HydrophobicContact CZ-CZ 3.67Å; F984-V1026 HydrophobicContact CD1-CG1 3.61Å; F984-V1026 HydrophobicContact CD2-CG1 4.32Å; F984-V1026 HydrophobicContact CE1-CG1 3.25Å; F984-V1026 HydrophobicContact CE2-CG1 4.01Å; F984-V1026 HydrophobicContact CG-CG1 4.13Å; F984-V1026 HydrophobicContact CZ-CG1 3.47Å; F984-V1026 VanDerWaalsContact CZ-CG1 3.47Å; F984-L1030 HydrophobicContact CE2-CB 4.49Å; F984-L1030 HydrophobicContact CZ-CB 4.27Å
985N91.9Very high91.1Very high42 Ų4257 Ų5723%0.22530%0.297CS..G310 helixtrans-68.5-15.8174.967.75.1000114.2D954 K983 P988 E1022D954-N985 PolarHBondContact OD1-ND2 3.28Å; D954-N985 PolarHBondContact OD1-OD1 2.75Å; D954-N985 VanDerWaalsContact OD1-OD1 3.09Å; D954-N985 PolarHBondContact OD2-ND2 3.2Å; K983-N985 PolarHBondContact O-N 2.79Å; N985-P988 WeakPolarHBondContact O-CD 3.33Å; N985-E1022 VanDerWaalsContact CB-OE1 3.29Å; N985-E1022 WeakPolarHBondContact CB-OE1 3.42Å; N985-E1022 PolarHBondContact ND2-OE1 3.17Å
986Q93.8Very high92Very high84 Ų8454.4 Ų54.439%0.39330%0.296SS..G310 helixtrans-85.2-18.4172.8-65.9178.8-15.500112.3L982 K983 F984 P988 K989 R990L982-Q986 HydrophobicContact CD1-CB 3.88Å; K983-Q986 HydrophobicContact CB-CB 4.21Å; K983-Q986 HydrophobicContact CB-CG 3.89Å; K983-Q986 HydrophobicContact CD-CG 4.5Å; K983-Q986 WeakPolarHBondContact O-CB 3.43Å; K983-Q986 PolarHBondContact O-N 2.86Å; F984-Q986 PolarHBondContact O-N 3.03Å; Q986-P988 VanDerWaalsContact C-N 3.35Å; Q986-K989 PolarHBondContact O-N 3.42Å; Q986-R990 HydrophobicContact CB-CG 4.06Å; Q986-R990 WeakPolarHBondContact O-CB 3.3Å; Q986-R990 WeakPolarHBondContact O-CG 3.34Å; Q986-R990 PolarHBondContact O-N 2.78Å
987S94.3Very high92.7Very high0 Ų053.2 Ų53.20%028%0.283CS..Hα-helixtrans-54.2-36.4-177.370.40000115.1K983 F984 K989 R990 L991 A1029K983-S987 PolarHBondContact O-N 2.98Å; F984-S987 VanDerWaalsContact O-CB 3.25Å; F984-S987 WeakPolarHBondContact O-CB 3.43Å; F984-S987 PolarHBondContact O-N 2.88Å; F984-S987 VanDerWaalsContact O-N 3.08Å; F984-S987 PolarHBondContact O-OG 2.9Å; S987-K989 PolarHBondContact O-N 3.45Å; S987-R990 PolarHBondContact O-N 2.77Å; S987-L991 WeakPolarHBondContact O-CB 3.16Å; S987-L991 WeakPolarHBondContact O-CG 3.43Å; S987-L991 PolarHBondContact O-N 3.38Å; S987-A1029 VanDerWaalsContact OG-CB 3.22Å; S987-A1029 WeakPolarHBondContact OG-CB 3.42Å
988P94.7Very high93.5Very high43 Ų4353.1 Ų53.128%0.27928%0.282SS..Hα-helixtrans-66.1-23.3178-1933.3000114N985 Q986 S1025 V1026 A1029N985-P988 WeakPolarHBondContact O-CD 3.33Å; Q986-P988 VanDerWaalsContact C-N 3.35Å; P988-S1025 WeakPolarHBondContact CG-O 3.49Å; P988-S1025 WeakPolarHBondContact CG-OG 3.14Å; P988-V1026 HydrophobicContact CG-CG2 4.3Å; P988-A1029 HydrophobicContact CB-CB 4.42Å; P988-A1029 HydrophobicContact CG-CB 4Å
989K94.2Very high93.8Very high187 Ų18749.9 Ų49.981%0.81326%0.261SS*.Hα-helixtrans-102.2-17.2179.7-65.1174.6-176.9167.90113Q986 S987Q986-K989 PolarHBondContact O-N 3.42Å; S987-K989 PolarHBondContact O-N 3.45Å
990R95.4Very high94Very high68 Ų6849 Ų4926%0.25726%0.255SS..Hα-helixtrans-105.7-15.2-175.4-68-63.5-51.6-120.312.8113.8L982 Q986 S987 L1000 I1001 E1003L982-R990 HydrophobicContact CD1-CB 3.73Å; L982-R990 HydrophobicContact CD1-CG 3.74Å; L982-R990 HydrophobicContact CD2-CB 4.28Å; Q986-R990 HydrophobicContact CB-CG 4.06Å; Q986-R990 WeakPolarHBondContact O-CB 3.3Å; Q986-R990 WeakPolarHBondContact O-CG 3.34Å; Q986-R990 PolarHBondContact O-N 2.78Å; S987-R990 PolarHBondContact O-N 2.77Å; R990-L1000 HydrophobicContact CB-CD1 4.24Å; R990-L1000 CarbonylContact O-C 3.59Å; R990-L1000 WeakPolarHBondContact O-CA 3.21Å; R990-I1001 WeakPolarHBondContact CD-O 3.49Å; R990-I1001 VanDerWaalsContact CZ-O 3.31Å; R990-I1001 PolarHBondContact NE-O 3.31Å; R990-I1001 PolarHBondContact NH2-O 2.94Å; R990-I1001 PolarHBondContact O-N 2.8Å; R990-E1003 IonicContact CZ-OE1 2.74Å; R990-E1003 IonicContact CZ-OE2 3.06Å; R990-E1003 IonicContact NH2-OE1 2.79Å; R990-E1003 PolarHBondContact NH2-OE1 2.88Å; R990-E1003 IonicContact NH2-OE2 2.68Å; R990-E1003 PolarHBondContact NH2-OE2 3.18Å
991L96.5Very high93.9Very high16 Ų1649.1 Ų49.18%0.08425%0.254CS..EExtended strand (participates in β ladder)trans-112.8141.6-177.9-59.4-176.7000112.5M951 L982 S987 L998 H999 L1000 I1007 L1032 I1033M951-L991 HydrophobicContact CE-CD1 4.19Å; L982-L991 HydrophobicContact CD2-CD1 4.29Å; L982-L991 HydrophobicContact CD2-CD2 3.75Å; L982-L991 HydrophobicContact CD2-CG 3.98Å; S987-L991 WeakPolarHBondContact O-CB 3.16Å; S987-L991 WeakPolarHBondContact O-CG 3.43Å; S987-L991 PolarHBondContact O-N 3.38Å; L991-L998 HydrophobicContact CB-CD1 4.28Å; L991-L998 HydrophobicContact CD1-CD1 4.46Å; L991-H999 WeakPolarHBondContact CA-O 3.35Å; L991-L1000 HydrophobicContact CD2-CD1 4.3Å; L991-I1007 HydrophobicContact CD2-CD1 3.44Å; L991-I1007 VanDerWaalsContact CD2-CD1 3.44Å; L991-L1032 HydrophobicContact CB-CD2 4.39Å; L991-I1033 HydrophobicContact CD1-CD1 3.64Å; L991-I1033 HydrophobicContact CD1-CG1 3.55Å
992R94.9Very high93.6Very high122 Ų12251.7 Ų51.746%0.4628%0.277SS..EExtended strand (participates in β ladder)trans-140.7144172.9179.9171.668.6-179-1.5110.3I994 H999 I1001 N1004R992-I994 HydrophobicContact CG-CG1 4.47Å; R992-H999 PolarHBondContact N-O 2.94Å; R992-H999 PolarHBondContact O-N 2.84Å; R992-I1001 HydrophobicContact CB-CD1 3.95Å; R992-I1001 HydrophobicContact CB-CG1 3.71Å; R992-N1004 PolarHBondContact NH2-OD1 2.93Å
993M93.6Very high93.2Very high56 Ų5656.3 Ų56.328%0.27630%0.299SS..EExtended strand (participates in β ladder)trans-86.1134.5167.8-162.779.778.900110.1G995 S996 T997 L1032 M1035 S1036M993-G995 WeakPolarHBondContact CG-O 3.29Å; M993-S996 VanDerWaalsContact SD-O 3.42Å; M993-T997 WeakPolarHBondContact CA-O 3.36Å; M993-L1032 HydrophobicContact CB-CG 4.44Å; M993-L1032 HydrophobicContact CE-CD2 4.43Å; M993-L1032 HydrophobicContact CE-CG 4.22Å; M993-L1032 WeakPolarHBondContact CE-O 3.43Å; M993-M1035 HydrophobicContact CE-CB 4.22Å; M993-S1036 VanDerWaalsContact SD-CB 3.59Å
994I92.3Very high93Very high67 Ų6757.2 Ų57.234%0.34431%0.306SS..EExtended strand (participates in β ladder)trans-125.3108.8169.3-54.5-176.6000107.4R992 S996 T997 H999 N1004R992-I994 HydrophobicContact CG-CG1 4.47Å; I994-S996 PolarHBondContact O-N 3.17Å; I994-T997 PolarHBondContact N-O 2.76Å; I994-T997 PolarHBondContact O-N 3.43Å; I994-T997 PolarHBondContact O-OG1 3.37Å; I994-H999 HydrophobicContact CD1-CB 4.14Å; I994-H999 HydrophobicContact CG1-CB 4.4Å; I994-N1004 WeakPolarHBondContact CD1-OD1 3.47Å
995G90Very high92.9Very high78 Ų7859.4 Ų59.480%0.80432%0.32SS*.THydrogen-bonded Turntrans62-117.4-164.300000110M993M993-G995 WeakPolarHBondContact CG-O 3.29Å
996S90.8Very high93.1Very high60 Ų6059.5 Ų59.542%0.4232%0.319SS..THydrogen-bonded Turntrans-102.4-5171.656.20000113.8M993 I994 S1036 T1037M993-S996 VanDerWaalsContact SD-O 3.42Å; I994-S996 PolarHBondContact O-N 3.17Å; S996-S1036 CarbonylContact O-C 3.59Å; S996-S1036 WeakPolarHBondContact O-CA 3.46Å; S996-T1037 PolarHBondContact O-N 3.11Å; S996-T1037 PolarHBondContact O-OG1 3.02Å; S996-T1037 WeakPolarHBondContact OG-CG2 3.48Å
997T93.6Very high93.3Very high33 Ų3355.5 Ų55.520%0.20230%0.3CS..EExtended strand (participates in β ladder)trans-87.4143.5-176.963.30000112.1M993 I994 H999M993-T997 WeakPolarHBondContact CA-O 3.36Å; I994-T997 PolarHBondContact N-O 2.76Å; I994-T997 PolarHBondContact O-N 3.43Å; I994-T997 PolarHBondContact O-OG1 3.37Å; T997-H999 PolarHBondContact OG1-CD2 3.37Å; T997-H999 PolarHBondContact OG1-NE2 2.87Å
998L96.6Very high93.3Very high0 Ų055.5 Ų55.50%030%0.3CS..EExtended strand (participates in β ladder)trans-91133.5177.7-171.563000110.3L991 E1006 I1007 V1010 L1032 I1033 A1038L991-L998 HydrophobicContact CB-CD1 4.28Å; L991-L998 HydrophobicContact CD1-CD1 4.46Å; L998-E1006 CarbonylContact O-C 3.58Å; L998-E1006 WeakPolarHBondContact O-CA 3.48Å; L998-I1007 HydrophobicContact CB-CB 4.15Å; L998-I1007 HydrophobicContact CD2-CB 4.1Å; L998-I1007 HydrophobicContact CD2-CD1 4.01Å; L998-I1007 HydrophobicContact CD2-CG2 3.95Å; L998-I1007 HydrophobicContact CG-CB 4.12Å; L998-I1007 HydrophobicContact CG-CD1 3.81Å; L998-I1007 PolarHBondContact O-N 3.28Å; L998-V1010 HydrophobicContact CD2-CG2 3.96Å; L998-L1032 HydrophobicContact CD1-CD2 3.25Å; L998-I1033 HydrophobicContact CD2-CG1 4.11Å; L998-I1033 HydrophobicContact CD2-CG2 4.43Å; L998-A1038 HydrophobicContact CB-CB 4.34Å; L998-A1038 HydrophobicContact CD2-CB 4.25Å
999H97.2Very high93.4Very high17 Ų1753.5 Ų53.58%0.07929%0.287CS..EExtended strand (participates in β ladder)trans-128.2142.1-179.2-72.7-104000112.3L991 R992 I994 T997 V1005L991-H999 WeakPolarHBondContact CA-O 3.35Å; R992-H999 PolarHBondContact N-O 2.94Å; R992-H999 PolarHBondContact O-N 2.84Å; I994-H999 HydrophobicContact CD1-CB 4.14Å; I994-H999 HydrophobicContact CG1-CB 4.4Å; T997-H999 PolarHBondContact OG1-CD2 3.37Å; T997-H999 PolarHBondContact OG1-NE2 2.87Å; H999-V1005 CarbonylContact C-O 3.53Å; H999-V1005 WeakPolarHBondContact CA-O 3.47Å
1000L94.5Very high93.6Very high6 Ų644.6 Ų44.63%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-83.4135.3169.4-168.972.4000110.1I949 V980 L982 R990 L991 N1004 V1005 I1007I949-L1000 HydrophobicContact CD1-CD1 4.32Å; V980-L1000 HydrophobicContact CG1-CD2 4.01Å; V980-L1000 HydrophobicContact CG2-CD2 4.38Å; L982-L1000 HydrophobicContact CD2-CD1 4.37Å; R990-L1000 HydrophobicContact CB-CD1 4.24Å; R990-L1000 CarbonylContact O-C 3.59Å; R990-L1000 WeakPolarHBondContact O-CA 3.21Å; L991-L1000 HydrophobicContact CD2-CD1 4.3Å; L1000-N1004 WeakPolarHBondContact O-CA 3.5Å; L1000-N1004 PolarHBondContact O-N 3.41Å; L1000-V1005 PolarHBondContact N-O 3.31Å; L1000-V1005 PolarHBondContact O-N 3.02Å; L1000-I1007 HydrophobicContact CB-CD1 4.09Å; L1000-I1007 HydrophobicContact CB-CG1 4.44Å
1001I92.2Very high93.6Very high42 Ų4241.6 Ų41.622%0.21524%0.237CC..THydrogen-bonded Turntrans-117140.4-178.8-58.8-60.4000108.5R990 R992R990-I1001 WeakPolarHBondContact CD-O 3.49Å; R990-I1001 VanDerWaalsContact CZ-O 3.31Å; R990-I1001 PolarHBondContact NE-O 3.31Å; R990-I1001 PolarHBondContact NH2-O 2.94Å; R990-I1001 PolarHBondContact O-N 2.8Å; R992-I1001 HydrophobicContact CB-CD1 3.95Å; R992-I1001 HydrophobicContact CB-CG1 3.71Å
1002P87.3Confident93.5Very high103 Ų10341 Ų4167%0.66923%0.234SC*.THydrogen-bonded Turncis-83.6-5.7735.3-38.1000115.8N1004P1002-N1004 PolarHBondContact O-N 3.12Å; P1002-N1004 VanDerWaalsContact O-N 3.16Å
1003E86.5Confident93.4Very high99 Ų9935.2 Ų35.246%0.46321%0.212SC..THydrogen-bonded Turntrans-66.2-20.3-170.9-56.384.5173.300113.5R990 V1005R990-E1003 IonicContact CZ-OE1 2.74Å; R990-E1003 IonicContact CZ-OE2 3.06Å; R990-E1003 IonicContact NH2-OE1 2.79Å; R990-E1003 PolarHBondContact NH2-OE1 2.88Å; R990-E1003 IonicContact NH2-OE2 2.68Å; R990-E1003 PolarHBondContact NH2-OE2 3.18Å; E1003-V1005 VanDerWaalsContact C-N 3.33Å; E1003-V1005 HydrophobicContact CB-CG2 3.82Å; E1003-V1005 PolarHBondContact O-N 3.26Å
1004N88.9Confident93.3Very high75 Ų7532.6 Ų32.640%0.40120%0.199SC..THydrogen-bonded Turntrans5445.8-177-159.673.3000113.1R992 I994 L1000 P1002R992-N1004 PolarHBondContact NH2-OD1 2.93Å; I994-N1004 WeakPolarHBondContact CD1-OD1 3.47Å; L1000-N1004 WeakPolarHBondContact O-CA 3.5Å; L1000-N1004 PolarHBondContact O-N 3.41Å; P1002-N1004 PolarHBondContact O-N 3.12Å; P1002-N1004 VanDerWaalsContact O-N 3.16Å
1005V91.8Very high93.1Very high50 Ų5029.5 Ų29.530%0.30318%0.184SC..EExtended strand (participates in β ladder)trans-105.6132.3-179.6-174.70000110V947 H999 L1000 E1003V947-V1005 HydrophobicContact CG1-CB 4.49Å; V947-V1005 HydrophobicContact CG1-CG1 3.6Å; H999-V1005 CarbonylContact C-O 3.53Å; H999-V1005 WeakPolarHBondContact CA-O 3.47Å; L1000-V1005 PolarHBondContact N-O 3.31Å; L1000-V1005 PolarHBondContact O-N 3.02Å; E1003-V1005 VanDerWaalsContact C-N 3.33Å; E1003-V1005 HydrophobicContact CB-CG2 3.82Å; E1003-V1005 PolarHBondContact O-N 3.26Å
1006E96.1Very high92.9Very high44 Ų4428 Ų2821%0.20615%0.154CC..EExtended strand (participates in β ladder)trans-65.9142179.9-163.6-178.4136.900111.8Y941 N943 A946 V947 L998Y941-E1006 WeakPolarHBondContact CE1-OE1 3.34Å; Y941-E1006 VanDerWaalsContact CZ-OE1 3.3Å; Y941-E1006 PolarHBondContact OH-OE1 2.85Å; N943-E1006 PolarHBondContact ND2-OE1 3.41Å; N943-E1006 PolarHBondContact ND2-OE2 3.11Å; A946-E1006 CarbonylContact C-O 3.44Å; A946-E1006 WeakPolarHBondContact CA-O 3.31Å; A946-E1006 HydrophobicContact CB-CB 4.41Å; V947-E1006 PolarHBondContact N-O 2.97Å; L998-E1006 CarbonylContact O-C 3.58Å; L998-E1006 WeakPolarHBondContact O-CA 3.48Å
1007I97.2Very high92.5Very high0 Ų025.7 Ų25.70%014%0.138CC..EExtended strand (participates in β ladder)trans-108.6117.7-179.4-67.2159.1000108.8V947 I949 L991 L998 L1000 V1010 A1038V947-I1007 HydrophobicContact CG2-CB 4.2Å; V947-I1007 HydrophobicContact CG2-CG1 3.49Å; V947-I1007 VanDerWaalsContact CG2-CG1 3.49Å; I949-I1007 HydrophobicContact CB-CG2 4.33Å; I949-I1007 HydrophobicContact CD1-CD1 4.06Å; I949-I1007 HydrophobicContact CD1-CG1 4.1Å; I949-I1007 HydrophobicContact CG1-CB 4.29Å; I949-I1007 HydrophobicContact CG1-CD1 3.78Å; I949-I1007 HydrophobicContact CG1-CG1 3.74Å; I949-I1007 HydrophobicContact CG1-CG2 3.54Å; L991-I1007 HydrophobicContact CD2-CD1 3.44Å; L991-I1007 VanDerWaalsContact CD2-CD1 3.44Å; L998-I1007 HydrophobicContact CB-CB 4.15Å; L998-I1007 HydrophobicContact CD2-CB 4.1Å; L998-I1007 HydrophobicContact CD2-CD1 4.01Å; L998-I1007 HydrophobicContact CD2-CG2 3.95Å; L998-I1007 HydrophobicContact CG-CB 4.12Å; L998-I1007 HydrophobicContact CG-CD1 3.81Å; L998-I1007 PolarHBondContact O-N 3.28Å; L1000-I1007 HydrophobicContact CB-CD1 4.09Å; L1000-I1007 HydrophobicContact CB-CG1 4.44Å; I1007-V1010 HydrophobicContact CG2-CG2 3.66Å; I1007-A1038 HydrophobicContact CG2-CB 4.37Å; I1007-A1038 WeakPolarHBondContact O-CB 3.47Å
1008G96Very high92.1Very high0 Ų026.1 Ų26.10%014%0.141CC..EExtended strand (participates in β ladder)trans-94-32.7-177.400000114Y941 V947 I1039Y941-G1008 WeakPolarHBondContact CD2-O 3.45Å; V947-G1008 PolarHBondContact O-N 3.08Å; G1008-I1039 PolarHBondContact O-N 3.35Å
1009V97Very high91.5Very high0 Ų032.1 Ų32.10%017%0.173CC..EExtended strand (participates in β ladder)trans-136.1137.6179.7-174.40000110L934 A937 W938 V948 I949 I1039L934-V1009 HydrophobicContact CD2-CG1 4.23Å; A937-V1009 HydrophobicContact CB-CG1 4.43Å; A937-V1009 HydrophobicContact CB-CG2 4.12Å; W938-V1009 HydrophobicContact CB-CG2 3.96Å; V948-V1009 HydrophobicContact CB-CB 4.39Å; V948-V1009 HydrophobicContact CG1-CB 3.99Å; V948-V1009 HydrophobicContact CG1-CG1 4.25Å; V948-V1009 HydrophobicContact CG2-CB 3.96Å; V948-V1009 HydrophobicContact CG2-CG2 4.15Å; I949-V1009 PolarHBondContact N-O 3.12Å; V1009-I1039 CarbonylContact C-O 3.5Å; V1009-I1039 VanDerWaalsContact CA-O 3.31Å; V1009-I1039 WeakPolarHBondContact CA-O 3.29Å; V1009-I1039 WeakPolarHBondContact CG1-O 3.38Å; V1009-I1039 HydrophobicContact CG2-CB 4.47Å
1010V97.3Very high91Very high1 Ų132.6 Ų32.61%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-120.8112.2171.7-175.70000109.4I949 M951 L998 I1007 F1012 I1033 A1038 I1039 K1040 C1041I949-V1010 HydrophobicContact CB-CG1 4.44Å; I949-V1010 HydrophobicContact CB-CG2 4.33Å; I949-V1010 HydrophobicContact CG2-CG1 4.34Å; M951-V1010 HydrophobicContact CB-CG1 4.28Å; M951-V1010 HydrophobicContact CE-CG1 4.43Å; L998-V1010 HydrophobicContact CD2-CG2 3.96Å; I1007-V1010 HydrophobicContact CG2-CG2 3.66Å; V1010-F1012 HydrophobicContact CB-CE2 4.48Å; V1010-F1012 HydrophobicContact CG1-CD2 4.23Å; V1010-F1012 HydrophobicContact CG1-CE1 4.41Å; V1010-F1012 HydrophobicContact CG1-CE2 3.84Å; V1010-F1012 HydrophobicContact CG1-CZ 3.94Å; V1010-I1033 HydrophobicContact CB-CG2 4.26Å; V1010-I1033 HydrophobicContact CG1-CG2 4.2Å; V1010-I1033 HydrophobicContact CG2-CG2 4.06Å; V1010-A1038 HydrophobicContact CG2-CB 4.26Å; V1010-I1039 PolarHBondContact N-O 3.33Å; V1010-K1040 CarbonylContact O-C 3.57Å; V1010-K1040 WeakPolarHBondContact O-CA 3.49Å; V1010-C1041 PolarHBondContact O-N 3.05Å
1011Y96.1Very high90.7Very high4 Ų433.2 Ų33.22%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-99.9111.6177.8-178.4-143.1000110.6I860 V930 L934 I949 F950 M951 I965 R1013 C1041I860-Y1011 HydrophobicContact CD1-CE2 4.33Å; V930-Y1011 HydrophobicContact CG1-CE1 4.47Å; V930-Y1011 WeakPolarHBondContact CG1-OH 3.36Å; L934-Y1011 HydrophobicContact CD1-CD1 3.84Å; L934-Y1011 HydrophobicContact CD1-CE1 4.02Å; L934-Y1011 HydrophobicContact CD1-CG 4.25Å; L934-Y1011 HydrophobicContact CD2-CD1 4.24Å; L934-Y1011 HydrophobicContact CD2-CD2 4.04Å; L934-Y1011 HydrophobicContact CD2-CG 3.79Å; I949-Y1011 PolarHBondContact O-N 3.44Å; F950-Y1011 AromaticContact CD1-CD1 3.78Å; F950-Y1011 HydrophobicContact CD1-CD1 3.78Å; F950-Y1011 HydrophobicContact CD1-CE1 4.27Å; F950-Y1011 HydrophobicContact CD2-CD1 4.29Å; F950-Y1011 AromaticContact CE1-CD1 3.6Å; F950-Y1011 HydrophobicContact CE1-CD1 3.6Å; F950-Y1011 AromaticContact CE1-CE1 3.83Å; F950-Y1011 HydrophobicContact CE1-CE1 3.83Å; F950-Y1011 HydrophobicContact CE2-CD1 4.12Å; F950-Y1011 HydrophobicContact CG-CD1 4.13Å; F950-Y1011 AromaticContact CZ-CD1 3.78Å; F950-Y1011 HydrophobicContact CZ-CD1 3.78Å; F950-Y1011 HydrophobicContact CZ-CE1 4.21Å; M951-Y1011 PolarHBondContact N-O 2.95Å; I965-Y1011 HydrophobicContact CG2-CE1 4.39Å; Y1011-R1013 HydrophobicContact CD1-CG 4.24Å; Y1011-R1013 HydrophobicContact CE1-CG 3.98Å; Y1011-R1013 PolarHBondContact OH-NH1 2.81Å; Y1011-C1041 HydrophobicContact CD2-CB 3.98Å; Y1011-C1041 WeakPolarHBondContact CD2-O 3.27Å
1012F94.6Very high90.2Very high4 Ų437.7 Ų37.72%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-84.8116.5-178-73-83.5000112M951 F984 V1010 A1015 L1030 I1033 K1040 C1041 P1042M951-F1012 HydrophobicContact CB-CD1 3.98Å; M951-F1012 HydrophobicContact CB-CE1 4.33Å; M951-F1012 HydrophobicContact CG-CD1 3.98Å; M951-F1012 HydrophobicContact CG-CE1 4.06Å; F984-F1012 HydrophobicContact CE2-CE1 4.46Å; V1010-F1012 HydrophobicContact CB-CE2 4.48Å; V1010-F1012 HydrophobicContact CG1-CD2 4.23Å; V1010-F1012 HydrophobicContact CG1-CE1 4.41Å; V1010-F1012 HydrophobicContact CG1-CE2 3.84Å; V1010-F1012 HydrophobicContact CG1-CZ 3.94Å; F1012-A1015 HydrophobicContact CD1-CB 4.03Å; F1012-A1015 HydrophobicContact CE1-CB 4.28Å; F1012-L1030 HydrophobicContact CE1-CD1 3.91Å; F1012-L1030 HydrophobicContact CZ-CD1 3.69Å; F1012-I1033 HydrophobicContact CE1-CD1 4.43Å; F1012-I1033 HydrophobicContact CE2-CG2 4.24Å; F1012-I1033 HydrophobicContact CZ-CD1 4.15Å; F1012-I1033 HydrophobicContact CZ-CG2 3.88Å; F1012-K1040 HydrophobicContact CE2-CB 4.34Å; F1012-K1040 HydrophobicContact CE2-CG 3.97Å; F1012-C1041 PolarHBondContact N-O 2.96Å; F1012-P1042 WeakPolarHBondContact CD2-O 3.48Å
1013R91.5Very high90.1Very high0 Ų036.8 Ų36.80%019%0.187CC..EExtended strand (participates in β ladder)trans-114.227.6167.3-60.6-60-62.4-116.5-12.7111.6S889 G891 M951 N958 D961 Q962 Y1011S889-R1013 VanDerWaalsContact OG-C 3.3Å; S889-R1013 WeakPolarHBondContact OG-CA 3.48Å; S889-R1013 PolarHBondContact OG-O 3.45Å; G891-R1013 VanDerWaalsContact CA-NH2 3.35Å; M951-R1013 PolarHBondContact O-N 3.26Å; N958-R1013 PolarHBondContact ND2-NH2 2.82Å; D961-R1013 IonicContact OD2-CZ 3.54Å; D961-R1013 IonicContact OD2-NH1 2.72Å; D961-R1013 PolarHBondContact OD2-NH1 2.87Å; D961-R1013 IonicContact OD2-NH2 3.18Å; D961-R1013 PolarHBondContact OD2-NH2 2.95Å; Q962-R1013 HydrophobicContact CG-CG 4.37Å; Y1011-R1013 HydrophobicContact CD1-CG 4.24Å; Y1011-R1013 HydrophobicContact CE1-CG 3.98Å; Y1011-R1013 PolarHBondContact OH-NH1 2.81Å
1014T90.9Very high90.3Very high2 Ų237 Ų371%0.01219%0.192CC..SBendtrans-164.8-169.8-173.4-170.70000107.7M951 F984 Y1016M951-T1014 HydrophobicContact CB-CG2 4.22Å; M951-T1014 HydrophobicContact CG-CG2 3.63Å; M951-T1014 WeakPolarHBondContact O-CG2 3.22Å; F984-T1014 HydrophobicContact CB-CG2 3.79Å; F984-T1014 HydrophobicContact CD1-CG2 4.43Å; F984-T1014 HydrophobicContact CD2-CG2 4.42Å; F984-T1014 HydrophobicContact CG-CG2 3.99Å; T1014-Y1016 VanDerWaalsContact C-N 3.33Å; T1014-Y1016 PolarHBondContact O-N 3.1Å
1015A89.7Confident90.5Very high2 Ų235.8 Ų35.82%0.01719%0.189CC..  trans63.228.7-178.200000115.1F984 F1012 F1021 H1047F984-A1015 HydrophobicContact CD1-CB 4.23Å; F984-A1015 HydrophobicContact CE1-CB 3.61Å; F984-A1015 HydrophobicContact CE2-CB 4.1Å; F984-A1015 HydrophobicContact CZ-CB 3.54Å; F1012-A1015 HydrophobicContact CD1-CB 4.03Å; F1012-A1015 HydrophobicContact CE1-CB 4.28Å; A1015-F1021 HydrophobicContact CB-CE2 4.31Å; A1015-F1021 HydrophobicContact CB-CZ 4.01Å; A1015-H1047 PolarHBondContact O-CE1 3.34Å; A1015-H1047 VanDerWaalsContact O-CE1 3.28Å
1016Y85.3Confident90.6Very high47 Ų4733.5 Ų33.518%0.18418%0.175CC..SBendtrans-113.1-5.4-178.364-97.1000114.1E953 T1014E953-Y1016 PolarHBondContact OE1-OH 2.6Å; T1014-Y1016 VanDerWaalsContact C-N 3.33Å; T1014-Y1016 PolarHBondContact O-N 3.1Å
1017S82.4Confident90.5Very high10 Ų1032.7 Ų32.77%0.0717%0.17CC..SBendtrans-135.2152.2175.970.10000112.6D1019 Q1020 F1021S1017-D1019 VanDerWaalsContact C-N 3.3Å; S1017-D1019 WeakPolarHBondContact CB-OD1 3.41Å; S1017-D1019 PolarHBondContact O-N 3.07Å; S1017-D1019 PolarHBondContact OG-OD1 2.94Å; S1017-Q1020 WeakPolarHBondContact O-CB 3.47Å; S1017-Q1020 PolarHBondContact O-N 3.48Å; S1017-Q1020 VanDerWaalsContact OG-CD 3.29Å; S1017-Q1020 WeakPolarHBondContact OG-CG 3.47Å; S1017-F1021 WeakPolarHBondContact O-CD2 3.43Å
1018P84.4Confident90.4Very high42 Ų4236.3 Ų36.327%0.27320%0.195SC..G310 helixtrans-63.8-31.7-174.8-21.231.9000114.2F835 Q1020 F1021F835-P1018 HydrophobicContact CB-CB 4.4Å; F835-P1018 HydrophobicContact CB-CG 3.9Å; F835-P1018 HydrophobicContact CD1-CG 4.34Å; F835-P1018 HydrophobicContact CD2-CB 4.1Å; F835-P1018 HydrophobicContact CD2-CG 3.94Å; F835-P1018 HydrophobicContact CG-CB 4.4Å; F835-P1018 HydrophobicContact CG-CG 3.83Å; P1018-Q1020 PolarHBondContact O-N 3.35Å; P1018-F1021 PolarHBondContact O-N 3.04Å; P1018-F1021 VanDerWaalsContact O-N 3.12Å
1019D84.3Confident90.3Very high126 Ų12636.6 Ų36.667%0.67420%0.198SC*.G310 helixtrans-67.1-12.617957-65.8000113.9S1017 F1021S1017-D1019 VanDerWaalsContact C-N 3.3Å; S1017-D1019 WeakPolarHBondContact CB-OD1 3.41Å; S1017-D1019 PolarHBondContact O-N 3.07Å; S1017-D1019 PolarHBondContact OG-OD1 2.94Å; D1019-F1021 VanDerWaalsContact C-N 3.27Å
1020Q86.8Confident90.2Very high27 Ų2736.8 Ų36.813%0.12620%0.199CC..G310 helixtrans-83.4-2.1173.8-64.1169-1400112.9F984 S1017 P1018F984-Q1020 HydrophobicContact CD1-CB 4.46Å; F984-Q1020 WeakPolarHBondContact CD1-O 3.41Å; S1017-Q1020 WeakPolarHBondContact O-CB 3.47Å; S1017-Q1020 PolarHBondContact O-N 3.48Å; S1017-Q1020 VanDerWaalsContact OG-CD 3.29Å; S1017-Q1020 WeakPolarHBondContact OG-CG 3.47Å; P1018-Q1020 PolarHBondContact O-N 3.35Å
1021F89.4Confident90.2Very high19 Ų1941.7 Ų41.78%0.08322%0.217CC..  trans-114.282179.6-66.1-103.3000109.9F835 F984 A1015 S1017 P1018 D1019 D1023 V1026 W1027 L1030F835-F1021 HydrophobicContact CE2-CD2 4.01Å; F835-F1021 AromaticContact CE2-CE2 3.61Å; F835-F1021 HydrophobicContact CE2-CE2 3.61Å; F835-F1021 HydrophobicContact CE2-CZ 4.32Å; F835-F1021 HydrophobicContact CZ-CE2 4.44Å; F984-F1021 HydrophobicContact CE1-CD1 4.01Å; F984-F1021 HydrophobicContact CE1-CD2 4.22Å; F984-F1021 AromaticContact CE1-CE1 3.64Å; F984-F1021 HydrophobicContact CE1-CE1 3.64Å; F984-F1021 AromaticContact CE1-CE2 3.82Å; F984-F1021 HydrophobicContact CE1-CE2 3.82Å; F984-F1021 HydrophobicContact CE1-CG 4.3Å; F984-F1021 AromaticContact CE1-CZ 3.55Å; F984-F1021 HydrophobicContact CE1-CZ 3.55Å; F984-F1021 HydrophobicContact CZ-CD1 4.27Å; F984-F1021 AromaticContact CZ-CE1 3.59Å; F984-F1021 HydrophobicContact CZ-CE1 3.59Å; F984-F1021 HydrophobicContact CZ-CE2 4.4Å; F984-F1021 AromaticContact CZ-CZ 3.67Å; F984-F1021 HydrophobicContact CZ-CZ 3.67Å; A1015-F1021 HydrophobicContact CB-CE2 4.31Å; A1015-F1021 HydrophobicContact CB-CZ 4.01Å; S1017-F1021 WeakPolarHBondContact O-CD2 3.43Å; P1018-F1021 PolarHBondContact O-N 3.04Å; P1018-F1021 VanDerWaalsContact O-N 3.12Å; D1019-F1021 VanDerWaalsContact C-N 3.27Å; F1021-D1023 VanDerWaalsContact C-N 3.27Å; F1021-D1023 PolarHBondContact O-N 2.78Å; F1021-V1026 HydrophobicContact CD1-CB 4.23Å; F1021-V1026 HydrophobicContact CD1-CG1 3.77Å; F1021-V1026 HydrophobicContact CE1-CG1 4.24Å; F1021-V1026 HydrophobicContact CG-CG1 4.34Å; F1021-W1027 HydrophobicContact CB-CZ2 4.33Å; F1021-W1027 AromaticContact CD1-CD1 3.74Å; F1021-W1027 AromaticContact CD1-CD2 3.43Å; F1021-W1027 HydrophobicContact CD1-CD2 3.43Å; F1021-W1027 VanDerWaalsContact CD1-CD2 3.43Å; F1021-W1027 AromaticContact CD1-CE2 3.29Å; F1021-W1027 AromaticContact CD1-CE3 3.97Å; F1021-W1027 HydrophobicContact CD1-CE3 3.97Å; F1021-W1027 AromaticContact CD1-CG 3.74Å; F1021-W1027 HydrophobicContact CD1-CG 3.74Å; F1021-W1027 HydrophobicContact CD1-CH2 4.26Å; F1021-W1027 AromaticContact CD1-CZ2 3.75Å; F1021-W1027 HydrophobicContact CD1-CZ2 3.75Å; F1021-W1027 HydrophobicContact CD1-CZ3 4.35Å; F1021-W1027 AromaticContact CD1-NE1 3.47Å; F1021-W1027 HydrophobicContact CD2-CZ2 4.14Å; F1021-W1027 AromaticContact CE1-CD2 3.64Å; F1021-W1027 HydrophobicContact CE1-CD2 3.64Å; F1021-W1027 AromaticContact CE1-CE2 3.79Å; F1021-W1027 AromaticContact CE1-CE3 3.66Å; F1021-W1027 HydrophobicContact CE1-CE3 3.66Å; F1021-W1027 HydrophobicContact CE1-CG 4.26Å; F1021-W1027 HydrophobicContact CE1-CH2 4.01Å; F1021-W1027 AromaticContact CE1-CZ2 3.98Å; F1021-W1027 HydrophobicContact CE1-CZ2 3.98Å; F1021-W1027 AromaticContact CE1-CZ3 3.84Å; F1021-W1027 HydrophobicContact CE1-CZ3 3.84Å; F1021-W1027 HydrophobicContact CE2-CH2 4.44Å; F1021-W1027 HydrophobicContact CE2-CZ2 4.4Å; F1021-W1027 HydrophobicContact CG-CD2 4.26Å; F1021-W1027 AromaticContact CG-CE2 3.64Å; F1021-W1027 AromaticContact CG-CZ2 3.81Å; F1021-W1027 HydrophobicContact CG-CZ2 3.81Å; F1021-W1027 AromaticContact CG-NE1 3.66Å; F1021-W1027 HydrophobicContact CZ-CE3 4.42Å; F1021-W1027 HydrophobicContact CZ-CH2 4.1Å; F1021-W1027 HydrophobicContact CZ-CZ2 4.3Å; F1021-W1027 HydrophobicContact CZ-CZ3 4.16Å; F1021-L1030 HydrophobicContact CE1-CB 4.46Å; F1021-L1030 HydrophobicContact CE1-CD2 3.87Å; F1021-L1030 HydrophobicContact CZ-CD2 3.84Å
1022E79.9Confident90.1Very high136 Ų13644 Ų4464%0.63623%0.229SC*.  trans-57.5-37.1-178.6-63.1174-150.500112.8N985N985-E1022 VanDerWaalsContact CB-OE1 3.29Å; N985-E1022 WeakPolarHBondContact CB-OE1 3.42Å; N985-E1022 PolarHBondContact ND2-OE1 3.17Å
1023D85.8Confident90.2Very high84 Ų8443.8 Ų43.845%0.44923%0.229SC..SBendtrans-152.6178.1179.166.237.4000112.9F1021 S1025 V1026F1021-D1023 VanDerWaalsContact C-N 3.27Å; F1021-D1023 PolarHBondContact O-N 2.78Å; D1023-S1025 PolarHBondContact O-N 3.4Å; D1023-S1025 VanDerWaalsContact OD1-CA 3.3Å; D1023-S1025 WeakPolarHBondContact OD1-CA 3.47Å; D1023-S1025 WeakPolarHBondContact OD1-CB 3.43Å; D1023-S1025 PolarHBondContact OD1-N 2.67Å; D1023-S1025 PolarHBondContact OD1-OG 2.9Å; D1023-V1026 PolarHBondContact O-N 3.32Å; D1023-V1026 PolarHBondContact OD1-N 2.8Å
1024D90.5Very high90.4Very high104 Ų10443.9 Ų43.956%0.55623%0.229SC*.Hα-helixtrans-70.5-12.1178.4-76.7-39.1000114.7K838 W1027 S1028K838-D1024 IonicContact NZ-OD1 3.76Å; K838-D1024 PolarHBondContact NZ-OD1 3.12Å; D1024-W1027 PolarHBondContact O-N 2.75Å; D1024-S1028 WeakPolarHBondContact O-CB 3.45Å; D1024-S1028 PolarHBondContact O-N 3.4Å; D1024-S1028 PolarHBondContact O-OG 3.38Å
1025S93.2Very high90.5Very high49 Ų4946.6 Ų46.634%0.34324%0.242SC..Hα-helixtrans-71.4-33.8172.983.40000111.2P988 D1023 S1028 A1029P988-S1025 WeakPolarHBondContact CG-O 3.49Å; P988-S1025 WeakPolarHBondContact CG-OG 3.14Å; D1023-S1025 PolarHBondContact O-N 3.4Å; D1023-S1025 VanDerWaalsContact OD1-CA 3.3Å; D1023-S1025 WeakPolarHBondContact OD1-CA 3.47Å; D1023-S1025 WeakPolarHBondContact OD1-CB 3.43Å; D1023-S1025 PolarHBondContact OD1-N 2.67Å; D1023-S1025 PolarHBondContact OD1-OG 2.9Å; S1025-S1028 WeakPolarHBondContact O-CB 3.39Å; S1025-S1028 PolarHBondContact O-N 2.84Å; S1025-A1029 PolarHBondContact O-N 3.47Å
1026V93.6Very high90.7Very high2 Ų246.5 Ų46.51%0.01224%0.241CC..Hα-helixtrans-66.6-40.9173.5-175.50000111.1F984 P988 F1021 D1023 S1028 A1029 L1030F984-V1026 HydrophobicContact CD1-CG1 3.61Å; F984-V1026 HydrophobicContact CD2-CG1 4.32Å; F984-V1026 HydrophobicContact CE1-CG1 3.25Å; F984-V1026 HydrophobicContact CE2-CG1 4.01Å; F984-V1026 HydrophobicContact CG-CG1 4.13Å; F984-V1026 HydrophobicContact CZ-CG1 3.47Å; F984-V1026 VanDerWaalsContact CZ-CG1 3.47Å; P988-V1026 HydrophobicContact CG-CG2 4.3Å; F1021-V1026 HydrophobicContact CD1-CB 4.23Å; F1021-V1026 HydrophobicContact CD1-CG1 3.77Å; F1021-V1026 HydrophobicContact CE1-CG1 4.24Å; F1021-V1026 HydrophobicContact CG-CG1 4.34Å; D1023-V1026 PolarHBondContact O-N 3.32Å; D1023-V1026 PolarHBondContact OD1-N 2.8Å; V1026-S1028 VanDerWaalsContact C-N 3.33Å; V1026-S1028 PolarHBondContact O-N 3.26Å; V1026-A1029 PolarHBondContact O-N 2.94Å; V1026-L1030 PolarHBondContact O-N 3.33Å
1027W94.5Very high91.1Very high28 Ų2846.3 Ų46.311%0.10625%0.246CC..Hα-helixtrans-61.1-41.7171-76.2104.1000112.4F835 K838 L839 I842 F1021 D1024 A1029 L1030 R1031F835-W1027 AromaticContact CD2-CH2 3.63Å; F835-W1027 HydrophobicContact CD2-CH2 3.63Å; F835-W1027 AromaticContact CD2-CZ2 3.75Å; F835-W1027 HydrophobicContact CD2-CZ2 3.75Å; F835-W1027 AromaticContact CE2-CH2 3.93Å; F835-W1027 HydrophobicContact CE2-CH2 3.93Å; F835-W1027 HydrophobicContact CE2-CZ2 4.25Å; F835-W1027 HydrophobicContact CG-CH2 4.47Å; K838-W1027 HydrophobicContact CB-CD2 4.12Å; K838-W1027 HydrophobicContact CB-CE3 3.68Å; K838-W1027 HydrophobicContact CB-CH2 3.57Å; K838-W1027 HydrophobicContact CB-CZ2 4Å; K838-W1027 HydrophobicContact CB-CZ3 3.39Å; K838-W1027 HydrophobicContact CD-CD2 3.52Å; K838-W1027 HydrophobicContact CD-CE3 3.99Å; K838-W1027 HydrophobicContact CD-CG 3.9Å; K838-W1027 HydrophobicContact CD-CH2 4.22Å; K838-W1027 HydrophobicContact CD-CZ2 3.78Å; K838-W1027 HydrophobicContact CD-CZ3 4.32Å; K838-W1027 HydrophobicContact CG-CD2 4.46Å; K838-W1027 HydrophobicContact CG-CE3 4.47Å; L839-W1027 HydrophobicContact CD2-CH2 4.2Å; L839-W1027 HydrophobicContact CD2-CZ3 3.91Å; L839-W1027 HydrophobicContact CG-CH2 4.23Å; L839-W1027 HydrophobicContact CG-CZ3 4.24Å; I842-W1027 HydrophobicContact CD1-CE3 4Å; I842-W1027 HydrophobicContact CD1-CZ3 4.34Å; F1021-W1027 HydrophobicContact CB-CZ2 4.33Å; F1021-W1027 AromaticContact CD1-CD1 3.74Å; F1021-W1027 AromaticContact CD1-CD2 3.43Å; F1021-W1027 HydrophobicContact CD1-CD2 3.43Å; F1021-W1027 VanDerWaalsContact CD1-CD2 3.43Å; F1021-W1027 AromaticContact CD1-CE2 3.29Å; F1021-W1027 AromaticContact CD1-CE3 3.97Å; F1021-W1027 HydrophobicContact CD1-CE3 3.97Å; F1021-W1027 AromaticContact CD1-CG 3.74Å; F1021-W1027 HydrophobicContact CD1-CG 3.74Å; F1021-W1027 HydrophobicContact CD1-CH2 4.26Å; F1021-W1027 AromaticContact CD1-CZ2 3.75Å; F1021-W1027 HydrophobicContact CD1-CZ2 3.75Å; F1021-W1027 HydrophobicContact CD1-CZ3 4.35Å; F1021-W1027 AromaticContact CD1-NE1 3.47Å; F1021-W1027 HydrophobicContact CD2-CZ2 4.14Å; F1021-W1027 AromaticContact CE1-CD2 3.64Å; F1021-W1027 HydrophobicContact CE1-CD2 3.64Å; F1021-W1027 AromaticContact CE1-CE2 3.79Å; F1021-W1027 AromaticContact CE1-CE3 3.66Å; F1021-W1027 HydrophobicContact CE1-CE3 3.66Å; F1021-W1027 HydrophobicContact CE1-CG 4.26Å; F1021-W1027 HydrophobicContact CE1-CH2 4.01Å; F1021-W1027 AromaticContact CE1-CZ2 3.98Å; F1021-W1027 HydrophobicContact CE1-CZ2 3.98Å; F1021-W1027 AromaticContact CE1-CZ3 3.84Å; F1021-W1027 HydrophobicContact CE1-CZ3 3.84Å; F1021-W1027 HydrophobicContact CE2-CH2 4.44Å; F1021-W1027 HydrophobicContact CE2-CZ2 4.4Å; F1021-W1027 HydrophobicContact CG-CD2 4.26Å; F1021-W1027 AromaticContact CG-CE2 3.64Å; F1021-W1027 AromaticContact CG-CZ2 3.81Å; F1021-W1027 HydrophobicContact CG-CZ2 3.81Å; F1021-W1027 AromaticContact CG-NE1 3.66Å; F1021-W1027 HydrophobicContact CZ-CE3 4.42Å; F1021-W1027 HydrophobicContact CZ-CH2 4.1Å; F1021-W1027 HydrophobicContact CZ-CZ2 4.3Å; F1021-W1027 HydrophobicContact CZ-CZ3 4.16Å; D1024-W1027 PolarHBondContact O-N 2.75Å; W1027-A1029 VanDerWaalsContact C-N 3.34Å; W1027-A1029 PolarHBondContact O-N 3.32Å; W1027-L1030 HydrophobicContact CE3-CD2 4.45Å; W1027-L1030 HydrophobicContact CZ3-CD2 4.34Å; W1027-L1030 PolarHBondContact O-N 3.07Å; W1027-R1031 PolarHBondContact O-N 3.02Å
1028S94.2Very high91.7Very high75 Ų7545.9 Ų45.952%0.52424%0.242SC..Hα-helixtrans-63.6-39.3176-58.20000111.7D1024 S1025 V1026 R1031 L1032D1024-S1028 WeakPolarHBondContact O-CB 3.45Å; D1024-S1028 PolarHBondContact O-N 3.4Å; D1024-S1028 PolarHBondContact O-OG 3.38Å; S1025-S1028 WeakPolarHBondContact O-CB 3.39Å; S1025-S1028 PolarHBondContact O-N 2.84Å; V1026-S1028 VanDerWaalsContact C-N 3.33Å; V1026-S1028 PolarHBondContact O-N 3.26Å; S1028-R1031 PolarHBondContact O-N 3.39Å; S1028-L1032 VanDerWaalsContact O-CB 3.3Å; S1028-L1032 WeakPolarHBondContact O-CB 3.44Å; S1028-L1032 PolarHBondContact O-N 3.48Å
1029A95Very high92.3Very high6 Ų644 Ų445%0.0523%0.23CC..Hα-helixtrans-67.8-39.9175.200000112.6S987 P988 S1025 V1026 W1027 L1032 I1033S987-A1029 VanDerWaalsContact OG-CB 3.22Å; S987-A1029 WeakPolarHBondContact OG-CB 3.42Å; P988-A1029 HydrophobicContact CB-CB 4.42Å; P988-A1029 HydrophobicContact CG-CB 4Å; S1025-A1029 PolarHBondContact O-N 3.47Å; V1026-A1029 PolarHBondContact O-N 2.94Å; W1027-A1029 VanDerWaalsContact C-N 3.34Å; W1027-A1029 PolarHBondContact O-N 3.32Å; A1029-L1032 WeakPolarHBondContact O-CB 3.48Å; A1029-L1032 PolarHBondContact O-N 2.73Å; A1029-I1033 VanDerWaalsContact O-CG1 3.3Å; A1029-I1033 WeakPolarHBondContact O-CG1 3.47Å; A1029-I1033 PolarHBondContact O-N 3.04Å
1030L95.7Very high92.9Very high5 Ų538 Ų383%0.02620%0.198CC..Hα-helixtrans-61.9-45.8172.9179.761000111.6L839 I842 F984 F1012 F1021 V1026 W1027 L1032 I1033 E1034L839-L1030 HydrophobicContact CD2-CD2 4.09Å; I842-L1030 HydrophobicContact CD1-CB 4.38Å; I842-L1030 HydrophobicContact CD1-CD2 4.03Å; I842-L1030 HydrophobicContact CD1-CG 4.07Å; F984-L1030 HydrophobicContact CE2-CB 4.49Å; F984-L1030 HydrophobicContact CZ-CB 4.27Å; F1012-L1030 HydrophobicContact CE1-CD1 3.91Å; F1012-L1030 HydrophobicContact CZ-CD1 3.69Å; F1021-L1030 HydrophobicContact CE1-CB 4.46Å; F1021-L1030 HydrophobicContact CE1-CD2 3.87Å; F1021-L1030 HydrophobicContact CZ-CD2 3.84Å; V1026-L1030 PolarHBondContact O-N 3.33Å; W1027-L1030 HydrophobicContact CE3-CD2 4.45Å; W1027-L1030 HydrophobicContact CZ3-CD2 4.34Å; W1027-L1030 PolarHBondContact O-N 3.07Å; L1030-L1032 VanDerWaalsContact C-N 3.29Å; L1030-L1032 PolarHBondContact O-N 2.92Å; L1030-I1033 PolarHBondContact O-N 3Å; L1030-E1034 HydrophobicContact CD1-CG 4.28Å; L1030-E1034 PolarHBondContact O-N 2.86Å
1031R95.8Very high93.3Very high104 Ų10436.8 Ų36.839%0.39219%0.192SC..Hα-helixtrans-58.5-42.6174.6-170-176.8-168.4119.36.4111.1D841 I842 W1027 S1028 E1034 M1035D841-R1031 IonicContact OD2-CZ 2.6Å; D841-R1031 IonicContact OD2-NH1 3.86Å; D841-R1031 PolarHBondContact OD2-NH1 3.14Å; D841-R1031 IonicContact OD2-NH2 3.97Å; I842-R1031 HydrophobicContact CD1-CB 4.13Å; I842-R1031 HydrophobicContact CG1-CB 4.09Å; I842-R1031 HydrophobicContact CG1-CG 4.24Å; W1027-R1031 PolarHBondContact O-N 3.02Å; S1028-R1031 PolarHBondContact O-N 3.39Å; R1031-E1034 PolarHBondContact O-N 2.91Å; R1031-M1035 HydrophobicContact CG-CG 4.34Å; R1031-M1035 VanDerWaalsContact O-CB 3.31Å; R1031-M1035 WeakPolarHBondContact O-CB 3.32Å; R1031-M1035 WeakPolarHBondContact O-CG 3.3Å; R1031-M1035 PolarHBondContact O-N 3.05Å
1032L95.2Very high93.5Very high51 Ų5136.1 Ų36.127%0.26719%0.19SC..Hα-helixtrans-62.4-43.3177.1-172.5155.7000111.6L991 M993 L998 S1028 A1029 L1030 S1036L991-L1032 HydrophobicContact CB-CD2 4.39Å; M993-L1032 HydrophobicContact CB-CG 4.44Å; M993-L1032 HydrophobicContact CE-CD2 4.43Å; M993-L1032 HydrophobicContact CE-CG 4.22Å; M993-L1032 WeakPolarHBondContact CE-O 3.43Å; L998-L1032 HydrophobicContact CD1-CD2 3.25Å; S1028-L1032 VanDerWaalsContact O-CB 3.3Å; S1028-L1032 WeakPolarHBondContact O-CB 3.44Å; S1028-L1032 PolarHBondContact O-N 3.48Å; A1029-L1032 WeakPolarHBondContact O-CB 3.48Å; A1029-L1032 PolarHBondContact O-N 2.73Å; L1030-L1032 VanDerWaalsContact C-N 3.29Å; L1030-L1032 PolarHBondContact O-N 2.92Å; L1032-S1036 PolarHBondContact O-N 2.95Å
1033I96.2Very high94.1Very high0 Ų029.6 Ų29.60%016%0.159CC..Hα-helixtrans-61.8-51.5175-66.9159.1000110.7M951 L991 L998 V1010 F1012 A1029 L1030 M1035 S1036 K1040M951-I1033 HydrophobicContact CE-CD1 3.57Å; L991-I1033 HydrophobicContact CD1-CD1 3.64Å; L991-I1033 HydrophobicContact CD1-CG1 3.55Å; L998-I1033 HydrophobicContact CD2-CG1 4.11Å; L998-I1033 HydrophobicContact CD2-CG2 4.43Å; V1010-I1033 HydrophobicContact CB-CG2 4.26Å; V1010-I1033 HydrophobicContact CG1-CG2 4.2Å; V1010-I1033 HydrophobicContact CG2-CG2 4.06Å; F1012-I1033 HydrophobicContact CE1-CD1 4.43Å; F1012-I1033 HydrophobicContact CE2-CG2 4.24Å; F1012-I1033 HydrophobicContact CZ-CD1 4.15Å; F1012-I1033 HydrophobicContact CZ-CG2 3.88Å; A1029-I1033 VanDerWaalsContact O-CG1 3.3Å; A1029-I1033 WeakPolarHBondContact O-CG1 3.47Å; A1029-I1033 PolarHBondContact O-N 3.04Å; L1030-I1033 PolarHBondContact O-N 3Å; I1033-M1035 VanDerWaalsContact C-N 3.32Å; I1033-M1035 PolarHBondContact O-N 2.76Å; I1033-S1036 WeakPolarHBondContact O-CB 3.42Å; I1033-S1036 PolarHBondContact O-N 3.35Å; I1033-S1036 PolarHBondContact O-OG 3.38Å; I1033-K1040 HydrophobicContact CG2-CD 3.96Å; I1033-K1040 HydrophobicContact CG2-CG 3.83Å
1034E94.9Very high94.5Very high3 Ų325.7 Ų25.71%0.01414%0.139CC..Hα-helixtrans-63-38.3-176.1-75.9-65.1172.200112.6I842 V846 R855 L1030 R1031 S1036 K1040 W1043 I1044I842-E1034 HydrophobicContact CG2-CB 3.78Å; I842-E1034 HydrophobicContact CG2-CG 3.91Å; V846-E1034 HydrophobicContact CG2-CB 3.89Å; R855-E1034 PolarHBondContact NH1-O 2.77Å; L1030-E1034 HydrophobicContact CD1-CG 4.28Å; L1030-E1034 PolarHBondContact O-N 2.86Å; R1031-E1034 PolarHBondContact O-N 2.91Å; E1034-S1036 VanDerWaalsContact C-N 3.27Å; E1034-S1036 PolarHBondContact O-N 3.08Å; E1034-K1040 PolarHBondContact O-NZ 3.24Å; E1034-K1040 VanDerWaalsContact O-NZ 3.11Å; E1034-K1040 WeakPolarHBondContact OE2-CE 3.23Å; E1034-W1043 WeakPolarHBondContact OE1-CA 3.49Å; E1034-I1044 HydrophobicContact CG-CB 4.04Å; E1034-I1044 HydrophobicContact CG-CG2 4.11Å; E1034-I1044 PolarHBondContact OE1-N 3.35Å
1035M94.2Very high94.6Very high58 Ų5820.8 Ų20.829%0.28611%0.112SC..Hα-helixtrans-73-9.8175-66.4-61.5-62.100114.3A845 V846 R855 M993 R1031 I1033A845-M1035 HydrophobicContact CB-SD 4.26Å; V846-M1035 HydrophobicContact CG2-SD 3.94Å; R855-M1035 PolarHBondContact NH1-O 3.39Å; R855-M1035 PolarHBondContact NH2-O 3.33Å; M993-M1035 HydrophobicContact CE-CB 4.22Å; R1031-M1035 HydrophobicContact CG-CG 4.34Å; R1031-M1035 VanDerWaalsContact O-CB 3.31Å; R1031-M1035 WeakPolarHBondContact O-CB 3.32Å; R1031-M1035 WeakPolarHBondContact O-CG 3.3Å; R1031-M1035 PolarHBondContact O-N 3.05Å; I1033-M1035 VanDerWaalsContact C-N 3.32Å; I1033-M1035 PolarHBondContact O-N 2.76Å
1036S94.4Very high94.6Very high0 Ų018.5 Ų18.50%010%0.096CC..SBendtrans-83.4163.9177.876.30000114R855 M993 S996 L1032 I1033 E1034 A1038 K1040R855-S1036 PolarHBondContact NH1-O 3Å; M993-S1036 VanDerWaalsContact SD-CB 3.59Å; S996-S1036 CarbonylContact O-C 3.59Å; S996-S1036 WeakPolarHBondContact O-CA 3.46Å; L1032-S1036 PolarHBondContact O-N 2.95Å; I1033-S1036 WeakPolarHBondContact O-CB 3.42Å; I1033-S1036 PolarHBondContact O-N 3.35Å; I1033-S1036 PolarHBondContact O-OG 3.38Å; E1034-S1036 VanDerWaalsContact C-N 3.27Å; E1034-S1036 PolarHBondContact O-N 3.08Å; S1036-A1038 PolarHBondContact O-N 3.39Å; S1036-A1038 PolarHBondContact OG-N 2.92Å; S1036-K1040 PolarHBondContact O-NZ 2.84Å
1037T93.1Very high94.6Very high44 Ų4418.9 Ų18.927%0.2710%0.098SC..SBendtrans-67.1-16.7173.752.10000114.5Y941 S996Y941-T1037 PolarHBondContact OH-OG1 2.96Å; S996-T1037 PolarHBondContact O-N 3.11Å; S996-T1037 PolarHBondContact O-OG1 3.02Å; S996-T1037 WeakPolarHBondContact OG-CG2 3.48Å
1038A95.6Very high94.5Very high0 Ų017.5 Ų17.50%09%0.093CC..SBendtrans-55.6147.2-179.500000111.2L998 I1007 V1010 S1036 K1040L998-A1038 HydrophobicContact CB-CB 4.34Å; L998-A1038 HydrophobicContact CD2-CB 4.25Å; I1007-A1038 HydrophobicContact CG2-CB 4.37Å; I1007-A1038 WeakPolarHBondContact O-CB 3.47Å; V1010-A1038 HydrophobicContact CG2-CB 4.26Å; S1036-A1038 PolarHBondContact O-N 3.39Å; S1036-A1038 PolarHBondContact OG-N 2.92Å; A1038-K1040 WeakPolarHBondContact O-CD 3.28Å; A1038-K1040 VanDerWaalsContact O-CE 3.3Å; A1038-K1040 WeakPolarHBondContact O-CE 3.25Å; A1038-K1040 PolarHBondContact O-N 3.31Å; A1038-K1040 PolarHBondContact O-NZ 3.29Å
1039I96.3Very high94.4Very high2 Ų214 Ų141%0.017%0.068CC..EExtended strand (participates in β ladder)trans-83.6114.5177.5-61.5175.1000108.6I856 L858 A937 A940 Y941 G1008 V1009 V1010 L1181I856-I1039 HydrophobicContact CB-CD1 3.81Å; I856-I1039 HydrophobicContact CB-CG1 3.92Å; I856-I1039 HydrophobicContact CG2-CD1 3.73Å; I856-I1039 HydrophobicContact CG2-CG1 4.21Å; I856-I1039 HydrophobicContact CG2-CG2 4.49Å; L858-I1039 HydrophobicContact CB-CG2 4.1Å; A937-I1039 HydrophobicContact CB-CD1 4.45Å; A937-I1039 HydrophobicContact CB-CG2 3.99Å; A937-I1039 VanDerWaalsContact O-CD1 3.25Å; A937-I1039 WeakPolarHBondContact O-CD1 3.3Å; A940-I1039 HydrophobicContact CB-CD1 4.34Å; Y941-I1039 HydrophobicContact CD2-CD1 4.46Å; Y941-I1039 HydrophobicContact CD2-CG1 4.27Å; G1008-I1039 PolarHBondContact O-N 3.35Å; V1009-I1039 CarbonylContact C-O 3.5Å; V1009-I1039 VanDerWaalsContact CA-O 3.31Å; V1009-I1039 WeakPolarHBondContact CA-O 3.29Å; V1009-I1039 WeakPolarHBondContact CG1-O 3.38Å; V1009-I1039 HydrophobicContact CG2-CB 4.47Å; V1010-I1039 PolarHBondContact N-O 3.33Å; I1039-L1181 HydrophobicContact CG2-CD1 4.46Å
1040K96.2Very high94Very high1 Ų113.7 Ų13.70%0.0047%0.066CC..EExtended strand (participates in β ladder)trans-87.5142.3179.2-75.273.459.4177.30110.7L858 V1010 F1012 I1033 E1034 S1036 A1038 P1042 W1043L858-K1040 PolarHBondContact N-O 2.93Å; V1010-K1040 CarbonylContact O-C 3.57Å; V1010-K1040 WeakPolarHBondContact O-CA 3.49Å; F1012-K1040 HydrophobicContact CE2-CB 4.34Å; F1012-K1040 HydrophobicContact CE2-CG 3.97Å; I1033-K1040 HydrophobicContact CG2-CD 3.96Å; I1033-K1040 HydrophobicContact CG2-CG 3.83Å; E1034-K1040 PolarHBondContact O-NZ 3.24Å; E1034-K1040 VanDerWaalsContact O-NZ 3.11Å; E1034-K1040 WeakPolarHBondContact OE2-CE 3.23Å; S1036-K1040 PolarHBondContact O-NZ 2.84Å; A1038-K1040 WeakPolarHBondContact O-CD 3.28Å; A1038-K1040 VanDerWaalsContact O-CE 3.3Å; A1038-K1040 WeakPolarHBondContact O-CE 3.25Å; A1038-K1040 PolarHBondContact O-N 3.31Å; A1038-K1040 PolarHBondContact O-NZ 3.29Å; K1040-P1042 VanDerWaalsContact C-C 3.49Å; K1040-P1042 CarbonylContact C-O 3.58Å; K1040-P1042 WeakPolarHBondContact CB-O 3.27Å; K1040-W1043 HydrophobicContact CB-CB 3.65Å; K1040-W1043 PolarHBondContact O-N 3.25Å
1041C94.6Very high93.7Very high1 Ų113.5 Ų13.51%0.0077%0.065CC..EExtended strand (participates in β ladder)trans-134.8103.7176.1-179.20000112.3L858 I860 L934 V1010 Y1011 F1012L858-C1041 HydrophobicContact CB-CB 3.98Å; L858-C1041 HydrophobicContact CD2-CB 3.83Å; L858-C1041 HydrophobicContact CG-CB 4.04Å; L858-C1041 WeakPolarHBondContact O-CA 3.5Å; I860-C1041 VanDerWaalsContact CD1-SG 3.53Å; L934-C1041 HydrophobicContact CD2-CB 4.49Å; V1010-C1041 PolarHBondContact O-N 3.05Å; Y1011-C1041 HydrophobicContact CD2-CB 3.98Å; Y1011-C1041 WeakPolarHBondContact CD2-O 3.27Å; F1012-C1041 PolarHBondContact N-O 2.96Å
1042P93.5Very high93.3Very high5 Ų58.8 Ų8.83%0.0325%0.047CC..THydrogen-bonded Turncis-61.5162.3-21.530.6-38.8000111.7N887 I888 F1012 K1040 F1046N887-P1042 WeakPolarHBondContact O-CB 3.32Å; N887-P1042 VanDerWaalsContact O-CG 3.29Å; N887-P1042 WeakPolarHBondContact O-CG 3.45Å; I888-P1042 HydrophobicContact CB-CG 3.79Å; I888-P1042 HydrophobicContact CD1-CG 4.2Å; I888-P1042 HydrophobicContact CG1-CG 3.78Å; F1012-P1042 WeakPolarHBondContact CD2-O 3.48Å; K1040-P1042 VanDerWaalsContact C-C 3.49Å; K1040-P1042 CarbonylContact C-O 3.58Å; K1040-P1042 WeakPolarHBondContact CB-O 3.27Å; P1042-F1046 HydrophobicContact CB-CB 3.62Å; P1042-F1046 HydrophobicContact CB-CD2 4.42Å
1043W93.5Very high93Very high0 Ų06.6 Ų6.60%04%0.035CC..  trans-83.6162.6154.782.9-73.7000110.5S816 Y843 V846 M847 F857 E1034 K1040 G1045 F1046 H1047 M1184S816-W1043 VanDerWaalsContact O-CZ2 3.32Å; S816-W1043 WeakPolarHBondContact O-CZ2 3.46Å; Y843-W1043 AromaticContact CD2-CH2 3.87Å; Y843-W1043 HydrophobicContact CD2-CH2 3.87Å; Y843-W1043 AromaticContact CD2-CZ3 3.9Å; Y843-W1043 HydrophobicContact CD2-CZ3 3.9Å; Y843-W1043 AromaticContact CE2-CH2 3.48Å; Y843-W1043 HydrophobicContact CE2-CH2 3.48Å; Y843-W1043 VanDerWaalsContact CE2-CH2 3.48Å; Y843-W1043 HydrophobicContact CE2-CZ2 4.27Å; Y843-W1043 HydrophobicContact CE2-CZ3 4Å; V846-W1043 HydrophobicContact CB-CZ3 4.44Å; V846-W1043 HydrophobicContact CG1-CE3 4.29Å; V846-W1043 HydrophobicContact CG1-CZ3 3.9Å; M847-W1043 HydrophobicContact SD-CH2 3.77Å; M847-W1043 HydrophobicContact SD-CZ3 4.34Å; F857-W1043 VanDerWaalsContact CB-CD1 3.47Å; F857-W1043 HydrophobicContact CB-CG 4.14Å; F857-W1043 HydrophobicContact CD1-CB 3.62Å; F857-W1043 AromaticContact CD1-CD1 3.49Å; F857-W1043 VanDerWaalsContact CD1-CD1 3.49Å; F857-W1043 AromaticContact CD1-CD2 3.64Å; F857-W1043 HydrophobicContact CD1-CD2 3.64Å; F857-W1043 HydrophobicContact CD1-CE3 4.3Å; F857-W1043 AromaticContact CD1-CG 3.29Å; F857-W1043 HydrophobicContact CD1-CG 3.29Å; F857-W1043 AromaticContact CD1-NE1 3.93Å; F857-W1043 AromaticContact CD2-NE1 3.97Å; F857-W1043 HydrophobicContact CE1-CB 4.17Å; F857-W1043 AromaticContact CE1-CD2 3.62Å; F857-W1043 HydrophobicContact CE1-CD2 3.62Å; F857-W1043 AromaticContact CE1-CE3 3.83Å; F857-W1043 HydrophobicContact CE1-CE3 3.83Å; F857-W1043 AromaticContact CE1-CG 3.78Å; F857-W1043 HydrophobicContact CE1-CG 3.78Å; F857-W1043 HydrophobicContact CE2-CZ2 4.46Å; F857-W1043 HydrophobicContact CG-CB 4.42Å; F857-W1043 AromaticContact CG-CD1 3.47Å; F857-W1043 VanDerWaalsContact CG-CD1 3.47Å; F857-W1043 HydrophobicContact CG-CD2 4.16Å; F857-W1043 AromaticContact CG-CG 3.8Å; F857-W1043 HydrophobicContact CG-CG 3.8Å; F857-W1043 AromaticContact CG-NE1 3.66Å; F857-W1043 HydrophobicContact CZ-CD2 4.15Å; F857-W1043 HydrophobicContact CZ-CE3 4.26Å; F857-W1043 HydrophobicContact CZ-CZ2 4.46Å; E1034-W1043 WeakPolarHBondContact OE1-CA 3.49Å; K1040-W1043 HydrophobicContact CB-CB 3.65Å; K1040-W1043 PolarHBondContact O-N 3.25Å; W1043-G1045 VanDerWaalsContact CD2-N 3.33Å; W1043-G1045 PolarHBondContact O-N 3.41Å; W1043-F1046 AromaticContact CD1-CD2 3.17Å; W1043-F1046 AromaticContact CD1-CE2 3.44Å; W1043-F1046 VanDerWaalsContact CD1-CE2 3.44Å; W1043-F1046 AromaticContact CD1-CG 3.94Å; W1043-F1046 HydrophobicContact CG-CD2 4.36Å; W1043-F1046 AromaticContact NE1-CD2 3.52Å; W1043-F1046 AromaticContact NE1-CE2 3.57Å; W1043-F1046 AromaticContact NE1-CG 3.97Å; W1043-F1046 PolarHBondContact O-N 3.06Å; W1043-H1047 PolarHBondContact O-N 3.1Å; W1043-M1184 HydrophobicContact CH2-CE 3.56Å; W1043-M1184 HydrophobicContact CZ2-CE 3.85Å; W1043-M1184 HydrophobicContact CZ2-SD 4.48Å; W1043-M1184 HydrophobicContact CZ3-CE 4.26Å
1044I94.2Very high92.7Very high2 Ų26.6 Ų6.61%0.014%0.035CC..Hα-helixtrans-50.4-35.5-173.5-169.965.7000114.3L839 I842 Y843 V846 E1034 F1046 H1047 L1048L839-I1044 HydrophobicContact CB-CD1 3.89Å; L839-I1044 HydrophobicContact CD2-CD1 3.47Å; L839-I1044 VanDerWaalsContact CD2-CD1 3.47Å; L839-I1044 HydrophobicContact CG-CD1 4.2Å; L839-I1044 WeakPolarHBondContact O-CG1 3.32Å; I842-I1044 HydrophobicContact CG2-CG1 4.38Å; I842-I1044 HydrophobicContact CG2-CG2 4.49Å; Y843-I1044 HydrophobicContact CD2-CG2 4.28Å; V846-I1044 HydrophobicContact CG2-CG2 4.42Å; E1034-I1044 HydrophobicContact CG-CB 4.04Å; E1034-I1044 HydrophobicContact CG-CG2 4.11Å; E1034-I1044 PolarHBondContact OE1-N 3.35Å; I1044-F1046 PolarHBondContact O-N 3.31Å; I1044-H1047 WeakPolarHBondContact O-CB 3.28Å; I1044-H1047 PolarHBondContact O-N 3.46Å; I1044-L1048 HydrophobicContact CG1-CD1 4.44Å; I1044-L1048 WeakPolarHBondContact O-CG 3.09Å; I1044-L1048 PolarHBondContact O-N 3.4Å
1045G93.5Very high92.4Very high0 Ų06.8 Ų6.80%04%0.036CC..Hα-helixtrans-67.2-33.1176.300000114.7S816 W1043 A1049S816-G1045 VanDerWaalsContact CB-O 3.28Å; S816-G1045 WeakPolarHBondContact CB-O 3.33Å; W1043-G1045 VanDerWaalsContact CD2-N 3.33Å; W1043-G1045 PolarHBondContact O-N 3.41Å; G1045-A1049 WeakPolarHBondContact O-CB 3.3Å; G1045-A1049 PolarHBondContact O-N 3.44Å
1046F92.9Very high92.2Very high1 Ų14.1 Ų4.10%0.0042%0.023CC..Hα-helixtrans-72.5-36.3171.8-74.3-54.1000111.8Y813 S816 F857 N859 N887 P1042 W1043 I1044 A1049 G1050Y813-F1046 HydrophobicContact CD2-CE1 4.48Å; Y813-F1046 HydrophobicContact CD2-CZ 4.01Å; S816-F1046 WeakPolarHBondContact OG-CD1 3.43Å; S816-F1046 WeakPolarHBondContact OG-CE1 3.42Å; F857-F1046 HydrophobicContact CB-CE2 3.87Å; N859-F1046 HydrophobicContact CB-CD1 3.99Å; N859-F1046 HydrophobicContact CB-CD2 3.77Å; N859-F1046 HydrophobicContact CB-CE1 3.71Å; N859-F1046 HydrophobicContact CB-CE2 3.57Å; N859-F1046 HydrophobicContact CB-CG 4.05Å; N859-F1046 HydrophobicContact CB-CZ 3.56Å; N887-F1046 HydrophobicContact CB-CB 4.38Å; N887-F1046 WeakPolarHBondContact CB-O 3.2Å; N887-F1046 PolarHBondContact ND2-O 2.98Å; P1042-F1046 HydrophobicContact CB-CB 3.62Å; P1042-F1046 HydrophobicContact CB-CD2 4.42Å; W1043-F1046 AromaticContact CD1-CD2 3.17Å; W1043-F1046 AromaticContact CD1-CE2 3.44Å; W1043-F1046 VanDerWaalsContact CD1-CE2 3.44Å; W1043-F1046 AromaticContact CD1-CG 3.94Å; W1043-F1046 HydrophobicContact CG-CD2 4.36Å; W1043-F1046 AromaticContact NE1-CD2 3.52Å; W1043-F1046 AromaticContact NE1-CE2 3.57Å; W1043-F1046 AromaticContact NE1-CG 3.97Å; W1043-F1046 PolarHBondContact O-N 3.06Å; I1044-F1046 PolarHBondContact O-N 3.31Å; F1046-A1049 PolarHBondContact O-N 2.97Å; F1046-G1050 PolarHBondContact O-N 3.3Å
1047H92.2Very high91.9Very high10 Ų104.8 Ų4.85%0.0463%0.027CC..Hα-helixtrans-59.2-52.1173.9-175.7-172.5000109.9I888 A1015 W1043 I1044 A1049 G1050 V1051I888-H1047 HydrophobicContact CD1-CB 4.36Å; I888-H1047 WeakPolarHBondContact CD1-ND1 3.33Å; A1015-H1047 PolarHBondContact O-CE1 3.34Å; A1015-H1047 VanDerWaalsContact O-CE1 3.28Å; W1043-H1047 PolarHBondContact O-N 3.1Å; I1044-H1047 WeakPolarHBondContact O-CB 3.28Å; I1044-H1047 PolarHBondContact O-N 3.46Å; H1047-A1049 PolarHBondContact O-N 3.35Å; H1047-G1050 PolarHBondContact O-N 3.26Å; H1047-G1050 VanDerWaalsContact O-N 3.07Å; H1047-V1051 PolarHBondContact O-N 3.11Å
1048L93.1Very high91.7Very high0 Ų03 Ų30%02%0.016CC..Hα-helixtrans-62.3-40.7175.5-67.8177.6000112.8I822 L826 L839 L840 Y843 I1044 G1050 V1051 I1054I822-L1048 HydrophobicContact CD1-CB 4.42Å; I822-L1048 HydrophobicContact CG2-CB 4.19Å; I822-L1048 HydrophobicContact CG2-CD1 3.92Å; L826-L1048 HydrophobicContact CD1-CB 4.14Å; L826-L1048 HydrophobicContact CD1-CD2 3.79Å; L826-L1048 HydrophobicContact CD1-CG 4.38Å; L839-L1048 HydrophobicContact CB-CD2 3.82Å; L839-L1048 HydrophobicContact CD1-CD2 4.49Å; L840-L1048 HydrophobicContact CD1-CD1 4.26Å; Y843-L1048 HydrophobicContact CD1-CD1 4.15Å; Y843-L1048 HydrophobicContact CD2-CD1 3.94Å; Y843-L1048 HydrophobicContact CG-CD1 3.56Å; I1044-L1048 HydrophobicContact CG1-CD1 4.44Å; I1044-L1048 WeakPolarHBondContact O-CG 3.09Å; I1044-L1048 PolarHBondContact O-N 3.4Å; L1048-G1050 PolarHBondContact O-N 3.48Å; L1048-V1051 WeakPolarHBondContact O-CB 3.47Å; L1048-V1051 WeakPolarHBondContact O-CG2 3.47Å; L1048-V1051 PolarHBondContact O-N 2.86Å; L1048-V1051 VanDerWaalsContact O-N 3.08Å; L1048-I1054 WeakPolarHBondContact O-CG1 3.49Å
1049A91.4Very high91.2Very high0 Ų03.8 Ų3.80%02%0.021CC..Hα-helixtrans-64.4-20175.300000113.6Y812 V815 G1045 F1046 H1047 I1054Y812-A1049 HydrophobicContact CD1-CB 4.3Å; Y812-A1049 WeakPolarHBondContact CD1-O 3.32Å; Y812-A1049 VanDerWaalsContact CE1-O 3.28Å; Y812-A1049 WeakPolarHBondContact CE1-O 3.42Å; V815-A1049 HydrophobicContact CB-CB 4.35Å; V815-A1049 HydrophobicContact CG1-CB 3.84Å; G1045-A1049 WeakPolarHBondContact O-CB 3.3Å; G1045-A1049 PolarHBondContact O-N 3.44Å; F1046-A1049 PolarHBondContact O-N 2.97Å; H1047-A1049 PolarHBondContact O-N 3.35Å; A1049-I1054 VanDerWaalsContact O-CG2 3.28Å; A1049-I1054 WeakPolarHBondContact O-CG2 3.3Å
1050G88.3Confident90.7Very high1 Ų17.7 Ų7.71%0.014%0.038CC..Hα-helixtrans-79.4-20.9173.400000113.9N887 F1046 H1047 L1048 K1052 Q1055N887-G1050 WeakPolarHBondContact ND2-CA 3.41Å; N887-G1050 PolarHBondContact ND2-N 2.99Å; F1046-G1050 PolarHBondContact O-N 3.3Å; H1047-G1050 PolarHBondContact O-N 3.26Å; H1047-G1050 VanDerWaalsContact O-N 3.07Å; L1048-G1050 PolarHBondContact O-N 3.48Å; G1050-K1052 PolarHBondContact O-N 2.9Å; G1050-Q1055 PolarHBondContact O-NE2 2.8Å
1051V89Confident90Very high1 Ų111.3 Ų11.31%0.0066%0.062CC..SBendtrans-56.3137.4-174.7174.60000111.4L826 I836 H1047 L1048 K1053 I1054 Q1055 L1115L826-V1051 HydrophobicContact CD2-CG1 4.2Å; I836-V1051 HydrophobicContact CD1-CG1 4.4Å; I836-V1051 HydrophobicContact CD1-CG2 4.02Å; H1047-V1051 PolarHBondContact O-N 3.11Å; L1048-V1051 WeakPolarHBondContact O-CB 3.47Å; L1048-V1051 WeakPolarHBondContact O-CG2 3.47Å; L1048-V1051 PolarHBondContact O-N 2.86Å; L1048-V1051 VanDerWaalsContact O-N 3.08Å; V1051-K1053 HydrophobicContact CG1-CB 4.43Å; V1051-K1053 PolarHBondContact O-N 3.13Å; V1051-I1054 WeakPolarHBondContact O-CA 3.46Å; V1051-I1054 WeakPolarHBondContact O-CB 3.22Å; V1051-I1054 PolarHBondContact O-N 3.16Å; V1051-Q1055 PolarHBondContact O-N 3.36Å; V1051-L1115 HydrophobicContact CG1-CB 4.49Å; V1051-L1115 HydrophobicContact CG1-CD2 3.98Å
1052K87.5Confident89.6Confident5 Ų520.2 Ų20.22%0.02210%0.1CC..Hα-helixtrans-57.6-26.8-172.3-66.7173.6179.166.10114.3E884 G1050 Q1055 Q1056 K1113 P1114 L1115 R1116 E1117 I1144E884-K1052 WeakPolarHBondContact OE2-CE 3.49Å; E884-K1052 IonicContact OE2-NZ 3.43Å; G1050-K1052 PolarHBondContact O-N 2.9Å; K1052-Q1055 PolarHBondContact O-N 3.08Å; K1052-Q1056 WeakPolarHBondContact O-CB 3.15Å; K1052-Q1056 PolarHBondContact O-N 2.91Å; K1052-K1113 HydrophobicContact CD-CB 3.93Å; K1052-K1113 HydrophobicContact CD-CD 4.23Å; K1052-P1114 WeakPolarHBondContact CD-O 3.46Å; K1052-L1115 HydrophobicContact CB-CD2 4.4Å; K1052-R1116 PolarHBondContact NZ-O 2.86Å; K1052-E1117 IonicContact NZ-OE1 3.86Å; K1052-E1117 PolarHBondContact NZ-OE1 3.19Å; K1052-I1144 HydrophobicContact CB-CG1 4.23Å
1053K87.6Confident89.3Confident5 Ų522.3 Ų22.32%0.02211%0.111CC..Hα-helixtrans-65.6-41170-179.266.9179.7166.50113L826 I829 V1051 Q1055 Q1056 T1057 D1088 L1115 I1144L826-K1053 HydrophobicContact CD2-CB 4.23Å; L826-K1053 HydrophobicContact CD2-CG 4.43Å; I829-K1053 HydrophobicContact CD1-CB 3.29Å; I829-K1053 HydrophobicContact CD1-CD 4.02Å; I829-K1053 HydrophobicContact CD1-CG 3.37Å; V1051-K1053 HydrophobicContact CG1-CB 4.43Å; V1051-K1053 PolarHBondContact O-N 3.13Å; K1053-Q1055 VanDerWaalsContact C-N 3.32Å; K1053-Q1056 WeakPolarHBondContact O-CB 3.29Å; K1053-Q1056 PolarHBondContact O-N 3.49Å; K1053-T1057 WeakPolarHBondContact O-CB 3.3Å; K1053-T1057 PolarHBondContact O-N 2.97Å; K1053-T1057 PolarHBondContact O-OG1 2.97Å; K1053-D1088 WeakPolarHBondContact CE-OD2 3.1Å; K1053-D1088 IonicContact NZ-OD1 3.46Å; K1053-D1088 PolarHBondContact NZ-OD1 3.1Å; K1053-D1088 IonicContact NZ-OD2 3.28Å; K1053-D1088 PolarHBondContact NZ-OD2 3.22Å; K1053-L1115 HydrophobicContact CB-CD2 3.96Å; K1053-I1144 HydrophobicContact CB-CD1 4.34Å; K1053-I1144 HydrophobicContact CD-CD1 3.96Å
1054I90.1Very high88.9Confident0 Ų022.3 Ų22.30%011%0.111CC..Hα-helixtrans-63.2-43.4174.5-67.9-77.5000109.6V815 F821 I822 C825 L826 L1048 A1049 V1051 Q1056 T1057 L1058V815-I1054 HydrophobicContact CG1-CG2 3.76Å; F821-I1054 HydrophobicContact CD1-CD1 4.06Å; F821-I1054 HydrophobicContact CE1-CD1 3.67Å; F821-I1054 HydrophobicContact CE1-CG2 4.31Å; I822-I1054 HydrophobicContact CG1-CD1 4.29Å; C825-I1054 HydrophobicContact CB-CD1 3.77Å; C825-I1054 VanDerWaalsContact SG-CD1 3.56Å; L826-I1054 HydrophobicContact CD2-CG1 4.33Å; L1048-I1054 WeakPolarHBondContact O-CG1 3.49Å; A1049-I1054 VanDerWaalsContact O-CG2 3.28Å; A1049-I1054 WeakPolarHBondContact O-CG2 3.3Å; V1051-I1054 WeakPolarHBondContact O-CA 3.46Å; V1051-I1054 WeakPolarHBondContact O-CB 3.22Å; V1051-I1054 PolarHBondContact O-N 3.16Å; I1054-Q1056 PolarHBondContact O-N 2.86Å; I1054-T1057 PolarHBondContact O-N 3.45Å; I1054-L1058 HydrophobicContact CG2-CD1 3.74Å; I1054-L1058 HydrophobicContact CG2-CG 4.27Å; I1054-L1058 WeakPolarHBondContact O-CB 3.28Å; I1054-L1058 VanDerWaalsContact O-CG 3.24Å; I1054-L1058 WeakPolarHBondContact O-CG 3.34Å; I1054-L1058 PolarHBondContact O-N 3.38Å
1055Q89.8Confident88.4Confident6 Ų623.1 Ų23.13%0.02812%0.121CC..Hα-helixtrans-59.5-44.3174.8-56.2-172.447.200111.9E884 V885 G1050 V1051 K1052 K1053 L1058 S1059 M1084E884-Q1055 VanDerWaalsContact CA-OE1 3.26Å; V885-Q1055 PolarHBondContact O-NE2 3.25Å; G1050-Q1055 PolarHBondContact O-NE2 2.8Å; V1051-Q1055 PolarHBondContact O-N 3.36Å; K1052-Q1055 PolarHBondContact O-N 3.08Å; K1053-Q1055 VanDerWaalsContact C-N 3.32Å; Q1055-L1058 PolarHBondContact O-N 3.11Å; Q1055-S1059 PolarHBondContact O-N 3.36Å; Q1055-S1059 VanDerWaalsContact O-N 3.14Å; Q1055-M1084 HydrophobicContact CB-CE 4.3Å
1056Q88.8Confident88.1Confident3 Ų328.4 Ų28.41%0.01414%0.14CC..Hα-helixtrans-59.5-49.6173.9-171.9-104.3-13.500111.6K1052 K1053 I1054 L1058 S1059 F1060 M1084 I1144K1052-Q1056 WeakPolarHBondContact O-CB 3.15Å; K1052-Q1056 PolarHBondContact O-N 2.91Å; K1053-Q1056 WeakPolarHBondContact O-CB 3.29Å; K1053-Q1056 PolarHBondContact O-N 3.49Å; I1054-Q1056 PolarHBondContact O-N 2.86Å; Q1056-L1058 VanDerWaalsContact C-N 3.3Å; Q1056-L1058 PolarHBondContact O-N 3.35Å; Q1056-S1059 WeakPolarHBondContact O-CB 3.39Å; Q1056-S1059 PolarHBondContact O-N 3.26Å; Q1056-S1059 VanDerWaalsContact O-N 3.07Å; Q1056-S1059 PolarHBondContact O-OG 3.05Å; Q1056-F1060 HydrophobicContact CG-CE2 4.48Å; Q1056-F1060 VanDerWaalsContact NE2-CE2 3.34Å; Q1056-F1060 WeakPolarHBondContact O-CD2 3.44Å; Q1056-F1060 WeakPolarHBondContact O-CE2 3.45Å; Q1056-M1084 HydrophobicContact CB-CB 3.93Å; Q1056-M1084 HydrophobicContact CB-CE 4.16Å; Q1056-M1084 VanDerWaalsContact CG-C 3.5Å; Q1056-M1084 HydrophobicContact CG-CB 3.49Å; Q1056-M1084 VanDerWaalsContact CG-CB 3.49Å; Q1056-M1084 VanDerWaalsContact CG-O 3.23Å; Q1056-M1084 WeakPolarHBondContact CG-O 3.49Å; Q1056-M1084 PolarHBondContact NE2-O 3Å; Q1056-I1144 HydrophobicContact CB-CD1 4.21Å; Q1056-I1144 HydrophobicContact CB-CG2 4.23Å; Q1056-I1144 HydrophobicContact CG-CD1 4.32Å; Q1056-I1144 HydrophobicContact CG-CG2 4.15Å
1057T89.4Confident87.8Confident13 Ų1328.7 Ų28.78%0.0814%0.142CC..Hα-helixtrans-62-37.3179.5-61.50000111.8F821 C825 K1053 I1054 S1059 F1060 N1063F821-T1057 HydrophobicContact CE2-CG2 3.76Å; F821-T1057 HydrophobicContact CZ-CG2 3.58Å; C825-T1057 PolarHBondContact SG-OG1 3.04Å; K1053-T1057 WeakPolarHBondContact O-CB 3.3Å; K1053-T1057 PolarHBondContact O-N 2.97Å; K1053-T1057 PolarHBondContact O-OG1 2.97Å; I1054-T1057 PolarHBondContact O-N 3.45Å; T1057-S1059 VanDerWaalsContact C-N 3.31Å; T1057-S1059 PolarHBondContact O-N 3.16Å; T1057-F1060 WeakPolarHBondContact O-CD2 3.35Å; T1057-F1060 PolarHBondContact O-N 3.34Å; T1057-N1063 HydrophobicContact CG2-CB 4.09Å; T1057-N1063 VanDerWaalsContact CG2-ND2 3.3Å; T1057-N1063 WeakPolarHBondContact CG2-ND2 3.33Å; T1057-N1063 WeakPolarHBondContact O-CB 3.19Å; T1057-N1063 PolarHBondContact O-ND2 3.12Å
1058L88.6Confident87.1Confident7 Ų728.4 Ų28.44%0.03714%0.141CC..Hα-helixtrans-73.9-14.8176.1-68.3171.3000114.1L811 Y812 V815 F821 I1054 Q1055 Q1056 F1060 L1064 F1067L811-L1058 HydrophobicContact CD1-CD2 4.45Å; Y812-L1058 HydrophobicContact CE1-CD1 4.27Å; V815-L1058 HydrophobicContact CG2-CD1 3.95Å; V815-L1058 HydrophobicContact CG2-CD2 4.07Å; F821-L1058 HydrophobicContact CE1-CD2 4.36Å; F821-L1058 HydrophobicContact CZ-CD2 4.07Å; F821-L1058 HydrophobicContact CZ-CG 4.43Å; I1054-L1058 HydrophobicContact CG2-CD1 3.74Å; I1054-L1058 HydrophobicContact CG2-CG 4.27Å; I1054-L1058 WeakPolarHBondContact O-CB 3.28Å; I1054-L1058 VanDerWaalsContact O-CG 3.24Å; I1054-L1058 WeakPolarHBondContact O-CG 3.34Å; I1054-L1058 PolarHBondContact O-N 3.38Å; Q1055-L1058 PolarHBondContact O-N 3.11Å; Q1056-L1058 VanDerWaalsContact C-N 3.3Å; Q1056-L1058 PolarHBondContact O-N 3.35Å; L1058-F1060 PolarHBondContact O-N 2.99Å; L1058-L1064 HydrophobicContact CD2-CD1 4.49Å; L1058-F1067 HydrophobicContact CD2-CD2 3.61Å; L1058-F1067 HydrophobicContact CD2-CE2 3.77Å
1059S85.6Confident86.1Confident16 Ų1634.1 Ų34.111%0.11217%0.166CC..THydrogen-bonded Turntrans-69.8-17.3171.577.90000113Q1055 Q1056 T1057 L1078Q1055-S1059 PolarHBondContact O-N 3.36Å; Q1055-S1059 VanDerWaalsContact O-N 3.14Å; Q1056-S1059 WeakPolarHBondContact O-CB 3.39Å; Q1056-S1059 PolarHBondContact O-N 3.26Å; Q1056-S1059 VanDerWaalsContact O-N 3.07Å; Q1056-S1059 PolarHBondContact O-OG 3.05Å; T1057-S1059 VanDerWaalsContact C-N 3.31Å; T1057-S1059 PolarHBondContact O-N 3.16Å; S1059-L1078 WeakPolarHBondContact O-CD2 3.42Å
1060F84Confident85Confident85 Ų8535.5 Ų35.537%0.37317%0.173SC..SBendtrans-84.9127.9175.2-59.6-79.5000111.7Q1056 T1057 L1058 K1062 N1063 L1064Q1056-F1060 HydrophobicContact CG-CE2 4.48Å; Q1056-F1060 VanDerWaalsContact NE2-CE2 3.34Å; Q1056-F1060 WeakPolarHBondContact O-CD2 3.44Å; Q1056-F1060 WeakPolarHBondContact O-CE2 3.45Å; T1057-F1060 WeakPolarHBondContact O-CD2 3.35Å; T1057-F1060 PolarHBondContact O-N 3.34Å; L1058-F1060 PolarHBondContact O-N 2.99Å; F1060-K1062 PolarHBondContact O-N 3.13Å; F1060-K1062 VanDerWaalsContact O-N 3.09Å; F1060-N1063 PolarHBondContact O-N 3.38Å; F1060-N1063 VanDerWaalsContact O-N 3.07Å; F1060-L1064 PolarHBondContact O-N 2.9Å
1061P83.5Confident84.2Confident77 Ų7737.2 Ų37.250%0.519%0.187SC..Hα-helixtrans-54.9-34.7-176.4-27.132.5000115G1065 L1078P1061-G1065 PolarHBondContact O-N 3.22Å; P1061-L1078 HydrophobicContact CB-CD1 4Å; P1061-L1078 HydrophobicContact CG-CD1 3.84Å; P1061-L1078 HydrophobicContact CG-CD2 4.25Å
1062K85.2Confident83.1Confident187 Ų18740.8 Ų40.881%0.81320%0.203SC*.Hα-helixtrans-61.3-48177.9-177-177.3178.5-175.40111.8F1060 G1065F1060-K1062 PolarHBondContact O-N 3.13Å; F1060-K1062 VanDerWaalsContact O-N 3.09Å; K1062-G1065 PolarHBondContact O-N 2.94Å
1063N87Confident82.1Confident49 Ų4941.4 Ų41.426%0.26221%0.208SC..Hα-helixtrans-74.1-40.8-177.8-61.8-28.8000110.8F821 T1057 F1060 G1065 R1066F821-N1063 HydrophobicContact CE2-CB 4.35Å; T1057-N1063 HydrophobicContact CG2-CB 4.09Å; T1057-N1063 VanDerWaalsContact CG2-ND2 3.3Å; T1057-N1063 WeakPolarHBondContact CG2-ND2 3.33Å; T1057-N1063 WeakPolarHBondContact O-CB 3.19Å; T1057-N1063 PolarHBondContact O-ND2 3.12Å; F1060-N1063 PolarHBondContact O-N 3.38Å; F1060-N1063 VanDerWaalsContact O-N 3.07Å; N1063-G1065 PolarHBondContact O-N 2.66Å; N1063-R1066 WeakPolarHBondContact O-CB 3.36Å; N1063-R1066 PolarHBondContact O-N 3.21Å
1064L85Confident81.7Confident0 Ų044.1 Ų44.10%022%0.218CC..Hα-helixtrans-60.3-34.4172.9-17069.3000111.9L811 L1058 F1060 R1066 F1067 V1068 R1074 I1077 L1078L811-L1064 HydrophobicContact CD1-CD1 3.96Å; L811-L1064 HydrophobicContact CD2-CD1 3.86Å; L1058-L1064 HydrophobicContact CD2-CD1 4.49Å; F1060-L1064 PolarHBondContact O-N 2.9Å; L1064-R1066 PolarHBondContact O-N 3.36Å; L1064-F1067 PolarHBondContact O-N 3Å; L1064-F1067 VanDerWaalsContact O-N 3.07Å; L1064-V1068 HydrophobicContact CD1-CG2 3.92Å; L1064-V1068 HydrophobicContact CG-CB 4.33Å; L1064-V1068 HydrophobicContact CG-CG2 4.15Å; L1064-V1068 PolarHBondContact O-N 3.08Å; L1064-R1074 HydrophobicContact CD2-CB 4.15Å; L1064-R1074 HydrophobicContact CD2-CG 3.98Å; L1064-R1074 HydrophobicContact CG-CG 4.21Å; L1064-I1077 HydrophobicContact CD1-CD1 4.46Å; L1064-I1077 HydrophobicContact CD1-CG2 4Å; L1064-I1077 HydrophobicContact CD2-CB 3.97Å; L1064-I1077 HydrophobicContact CD2-CG2 3.84Å; L1064-L1078 HydrophobicContact CD2-CD1 4.23Å; L1064-L1078 HydrophobicContact CD2-CD2 4Å; L1064-L1078 HydrophobicContact CD2-CG 3.75Å
1065G84.4Confident81.2Confident20 Ų2052.4 Ų52.421%0.20625%0.249CC..Hα-helixtrans-63.1-16.4172.900000115.5P1061 K1062 N1063 K1069P1061-G1065 PolarHBondContact O-N 3.22Å; K1062-G1065 PolarHBondContact O-N 2.94Å; N1063-G1065 PolarHBondContact O-N 2.66Å; G1065-K1069 WeakPolarHBondContact O-CD 3.43Å; G1065-K1069 PolarHBondContact O-NZ 2.95Å
1066R87.7Confident80.6Confident110 Ų11057.1 Ų57.142%0.41527%0.267SS..Hα-helixtrans-61.8-46167.9-169.6170.8174.6123.3-2.8110D818 N1063 L1064 K1069D818-R1066 VanDerWaalsContact CG-NH2 3.31Å; D818-R1066 IonicContact OD1-CZ 3.2Å; D818-R1066 IonicContact OD1-NE 2.9Å; D818-R1066 IonicContact OD1-NH2 2.8Å; D818-R1066 PolarHBondContact OD1-NH2 2.93Å; D818-R1066 IonicContact OD2-CZ 3.37Å; D818-R1066 IonicContact OD2-NE 2.61Å; D818-R1066 PolarHBondContact OD2-NE 2.85Å; D818-R1066 IonicContact OD2-NH2 2.73Å; D818-R1066 PolarHBondContact OD2-NH2 3.19Å; D818-R1066 VanDerWaalsContact OD2-NH2 3.1Å; N1063-R1066 WeakPolarHBondContact O-CB 3.36Å; N1063-R1066 PolarHBondContact O-N 3.21Å; L1064-R1066 PolarHBondContact O-N 3.36Å; R1066-K1069 PolarHBondContact O-NZ 3.47Å
1067F85.1Confident80.1Confident8 Ų859 Ų594%0.03528%0.276CS..Hα-helixtrans-99.3-32.9-171.5-53.9-70.2000114.9L811 R814 V815 D818 F821 L1058 L1064L811-F1067 HydrophobicContact CD1-CB 3.63Å; L811-F1067 HydrophobicContact CD1-CD2 4.41Å; L811-F1067 HydrophobicContact CD1-CG 4.21Å; R814-F1067 HydrophobicContact CB-CB 4.41Å; R814-F1067 HydrophobicContact CB-CD1 3.89Å; R814-F1067 PolarHBondContact NH1-O 3.29Å; R814-F1067 WeakPolarHBondContact O-CE1 3.24Å; V815-F1067 HydrophobicContact CB-CE1 4.47Å; V815-F1067 HydrophobicContact CB-CZ 4.47Å; V815-F1067 HydrophobicContact CG2-CD1 3.95Å; V815-F1067 HydrophobicContact CG2-CD2 3.71Å; V815-F1067 HydrophobicContact CG2-CE1 4Å; V815-F1067 HydrophobicContact CG2-CE2 3.77Å; V815-F1067 HydrophobicContact CG2-CG 3.8Å; V815-F1067 HydrophobicContact CG2-CZ 3.91Å; D818-F1067 HydrophobicContact CB-CE1 3.75Å; D818-F1067 HydrophobicContact CB-CZ 4.17Å; D818-F1067 VanDerWaalsContact OD2-CE1 3.28Å; D818-F1067 WeakPolarHBondContact OD2-CE1 3.3Å; F821-F1067 HydrophobicContact CB-CZ 3.96Å; F821-F1067 AromaticContact CD1-CE2 3.86Å; F821-F1067 HydrophobicContact CD1-CE2 3.86Å; F821-F1067 AromaticContact CD1-CZ 3.54Å; F821-F1067 HydrophobicContact CD1-CZ 3.54Å; F821-F1067 HydrophobicContact CD2-CE2 4.03Å; F821-F1067 AromaticContact CD2-CZ 3.98Å; F821-F1067 HydrophobicContact CD2-CZ 3.98Å; F821-F1067 AromaticContact CE1-CE2 3.76Å; F821-F1067 HydrophobicContact CE1-CE2 3.76Å; F821-F1067 AromaticContact CE1-CZ 3.94Å; F821-F1067 HydrophobicContact CE1-CZ 3.94Å; F821-F1067 AromaticContact CE2-CE2 3.94Å; F821-F1067 HydrophobicContact CE2-CE2 3.94Å; F821-F1067 HydrophobicContact CE2-CZ 4.35Å; F821-F1067 AromaticContact CG-CE2 3.98Å; F821-F1067 HydrophobicContact CG-CE2 3.98Å; F821-F1067 AromaticContact CG-CZ 3.55Å; F821-F1067 HydrophobicContact CG-CZ 3.55Å; F821-F1067 AromaticContact CZ-CE2 3.8Å; F821-F1067 HydrophobicContact CZ-CE2 3.8Å; F821-F1067 HydrophobicContact CZ-CZ 4.33Å; L1058-F1067 HydrophobicContact CD2-CD2 3.61Å; L1058-F1067 HydrophobicContact CD2-CE2 3.77Å; L1064-F1067 PolarHBondContact O-N 3Å; L1064-F1067 VanDerWaalsContact O-N 3.07Å
1068V77.1Confident80Confident4 Ų460.3 Ų60.32%0.02428%0.282CS..  trans-115.499.8-175-173.40000109.4L811 L1064 T1073 R1074 I1077L811-V1068 HydrophobicContact CD1-CG2 3.96Å; L1064-V1068 HydrophobicContact CD1-CG2 3.92Å; L1064-V1068 HydrophobicContact CG-CB 4.33Å; L1064-V1068 HydrophobicContact CG-CG2 4.15Å; L1064-V1068 PolarHBondContact O-N 3.08Å; V1068-T1073 HydrophobicContact CG1-CG2 3.73Å; V1068-R1074 HydrophobicContact CB-CG 3.81Å; V1068-R1074 HydrophobicContact CG1-CG 3.75Å; V1068-R1074 WeakPolarHBondContact O-CD 3.46Å; V1068-R1074 WeakPolarHBondContact O-CG 3.45Å; V1068-R1074 PolarHBondContact O-NH1 2.75Å; V1068-I1077 HydrophobicContact CG1-CD1 4.46Å; V1068-I1077 HydrophobicContact CG2-CD1 3.98Å
1069K72.5Confident79.9Confident120 Ų12063.3 Ų63.352%0.52230%0.304SS..  trans-77.9-28.6-178-57.4-48.4-168-161.70113.7G1065 R1066 R1074G1065-K1069 WeakPolarHBondContact O-CD 3.43Å; G1065-K1069 PolarHBondContact O-NZ 2.95Å; R1066-K1069 PolarHBondContact O-NZ 3.47Å; K1069-R1074 PolarHBondContact O-NH1 3.16Å
1070D69.2Low79.9Confident29 Ų2963.9 Ų63.916%0.15531%0.307CS..  trans-72.2128.5174.1164.141.3000112.3T759 Q1072 T1073 R1074T759-D1070 HydrophobicContact CG2-CB 4.21Å; T759-D1070 PolarHBondContact OG1-OD1 2.77Å; T759-D1070 PolarHBondContact OG1-OD2 2.91Å; D1070-Q1072 PolarHBondContact OD1-N 3.28Å; D1070-T1073 WeakPolarHBondContact OD2-CA 3.42Å; D1070-T1073 WeakPolarHBondContact OD2-CB 3.4Å; D1070-T1073 PolarHBondContact OD2-N 3.23Å; D1070-T1073 PolarHBondContact OD2-OG1 2.85Å; D1070-R1074 WeakPolarHBondContact O-CG 3.5Å; D1070-R1074 PolarHBondContact O-N 3.07Å; D1070-R1074 VanDerWaalsContact O-N 3.07Å
1071A70.3Confident79.9Confident36 Ų3660.9 Ų60.930%0.29830%0.296SS..Hα-helixtrans-70.9-28179.600000114.1R1075A1071-R1075 WeakPolarHBondContact O-CG 3.49Å; A1071-R1075 PolarHBondContact O-N 2.84Å; A1071-R1075 VanDerWaalsContact O-N 3.11Å; A1071-R1075 PolarHBondContact O-NE 3.35Å
1072Q66.3Low80Confident76 Ų7657.6 Ų57.636%0.35527%0.274SS..Hα-helixtrans-74.5-46.7178.2-171.6175.1-0.300111D1070 R1074 R1075 R1076D1070-Q1072 PolarHBondContact OD1-N 3.28Å; Q1072-R1074 VanDerWaalsContact C-N 3.35Å; Q1072-R1074 PolarHBondContact O-N 3.4Å; Q1072-R1075 PolarHBondContact O-N 3.13Å; Q1072-R1075 VanDerWaalsContact O-N 3.17Å; Q1072-R1076 WeakPolarHBondContact O-CG 3.37Å; Q1072-R1076 PolarHBondContact O-N 3.32Å
1073T66.1Low80Confident18 Ų1851 Ų5111%0.1125%0.25CS..Hα-helixtrans-62.5-40.3174.8-59.20000110.8C775 M808 V1068 D1070 R1076 I1077C775-T1073 PolarHBondContact SG-OG1 3.26Å; C775-T1073 VanDerWaalsContact SG-OG1 3.37Å; M808-T1073 HydrophobicContact CE-CG2 4.17Å; V1068-T1073 HydrophobicContact CG1-CG2 3.73Å; D1070-T1073 WeakPolarHBondContact OD2-CA 3.42Å; D1070-T1073 WeakPolarHBondContact OD2-CB 3.4Å; D1070-T1073 PolarHBondContact OD2-N 3.23Å; D1070-T1073 PolarHBondContact OD2-OG1 2.85Å; T1073-R1076 PolarHBondContact O-N 3.42Å; T1073-I1077 HydrophobicContact CG2-CD1 3.77Å; T1073-I1077 HydrophobicContact CG2-CG1 4.44Å; T1073-I1077 WeakPolarHBondContact O-CG1 3.28Å; T1073-I1077 PolarHBondContact O-N 2.86Å
1074R80.7Confident80Confident63 Ų6349.3 Ų49.324%0.23824%0.241CC..Hα-helixtrans-55.1-53.1169.3-80.6-161.5-57.2-81.20.9111.6L1064 V1068 K1069 D1070 Q1072 R1076 I1077 L1078L1064-R1074 HydrophobicContact CD2-CB 4.15Å; L1064-R1074 HydrophobicContact CD2-CG 3.98Å; L1064-R1074 HydrophobicContact CG-CG 4.21Å; V1068-R1074 HydrophobicContact CB-CG 3.81Å; V1068-R1074 HydrophobicContact CG1-CG 3.75Å; V1068-R1074 WeakPolarHBondContact O-CD 3.46Å; V1068-R1074 WeakPolarHBondContact O-CG 3.45Å; V1068-R1074 PolarHBondContact O-NH1 2.75Å; K1069-R1074 PolarHBondContact O-NH1 3.16Å; D1070-R1074 WeakPolarHBondContact O-CG 3.5Å; D1070-R1074 PolarHBondContact O-N 3.07Å; D1070-R1074 VanDerWaalsContact O-N 3.07Å; Q1072-R1074 VanDerWaalsContact C-N 3.35Å; Q1072-R1074 PolarHBondContact O-N 3.4Å; R1074-R1076 VanDerWaalsContact C-N 3.29Å; R1074-R1076 PolarHBondContact O-N 2.89Å; R1074-I1077 PolarHBondContact O-N 2.83Å; R1074-L1078 HydrophobicContact CB-CD1 4.46Å; R1074-L1078 WeakPolarHBondContact O-CB 3.37Å; R1074-L1078 WeakPolarHBondContact O-CD1 3.47Å; R1074-L1078 WeakPolarHBondContact O-CG 3.29Å; R1074-L1078 PolarHBondContact O-N 3.46Å
1075R78.7Confident79.9Confident174 Ų17451.5 Ų51.566%0.65725%0.25SS*.Hα-helixtrans-57.5-39.4179.8-78.6-176.7-70.6165.8-2.2112.7A1071 Q1072 S1079A1071-R1075 WeakPolarHBondContact O-CG 3.49Å; A1071-R1075 PolarHBondContact O-N 2.84Å; A1071-R1075 VanDerWaalsContact O-N 3.11Å; A1071-R1075 PolarHBondContact O-NE 3.35Å; Q1072-R1075 PolarHBondContact O-N 3.13Å; Q1072-R1075 VanDerWaalsContact O-N 3.17Å; R1075-S1079 WeakPolarHBondContact O-CB 3.17Å; R1075-S1079 PolarHBondContact O-N 3.41Å; R1075-S1079 PolarHBondContact O-OG 2.9Å
1076R76.8Confident79.8Confident105 Ų10550.6 Ų50.640%0.39624%0.241SC..Hα-helixtrans-68.3-39.4177.4-69.2174.469.1167.619.3113.9E761 Q1072 T1073 R1074 S1079E761-R1076 IonicContact OE1-CZ 3.18Å; E761-R1076 IonicContact OE1-NH1 3.77Å; E761-R1076 PolarHBondContact OE1-NH1 2.86Å; E761-R1076 IonicContact OE1-NH2 2.04Å; E761-R1076 PolarHBondContact OE1-NH2 2.8Å; Q1072-R1076 WeakPolarHBondContact O-CG 3.37Å; Q1072-R1076 PolarHBondContact O-N 3.32Å; T1073-R1076 PolarHBondContact O-N 3.42Å; R1074-R1076 VanDerWaalsContact C-N 3.29Å; R1074-R1076 PolarHBondContact O-N 2.89Å; R1076-S1079 WeakPolarHBondContact CA-OG 3.38Å; R1076-S1079 PolarHBondContact O-OG 3.32Å
1077I79.6Confident79.3Confident42 Ų4246.1 Ų46.122%0.21523%0.225CC..Hα-helixtrans-68.2-44.4175.9-67.2163.1000109.4L811 L1064 V1068 T1073 R1074 S1079 V1080 T1081L811-I1077 HydrophobicContact CD2-CD1 4.29Å; L811-I1077 HydrophobicContact CD2-CG2 4.37Å; L1064-I1077 HydrophobicContact CD1-CD1 4.46Å; L1064-I1077 HydrophobicContact CD1-CG2 4Å; L1064-I1077 HydrophobicContact CD2-CB 3.97Å; L1064-I1077 HydrophobicContact CD2-CG2 3.84Å; V1068-I1077 HydrophobicContact CG1-CD1 4.46Å; V1068-I1077 HydrophobicContact CG2-CD1 3.98Å; T1073-I1077 HydrophobicContact CG2-CD1 3.77Å; T1073-I1077 HydrophobicContact CG2-CG1 4.44Å; T1073-I1077 WeakPolarHBondContact O-CG1 3.28Å; T1073-I1077 PolarHBondContact O-N 2.86Å; R1074-I1077 PolarHBondContact O-N 2.83Å; I1077-S1079 VanDerWaalsContact C-N 3.33Å; I1077-S1079 PolarHBondContact O-N 2.82Å; I1077-V1080 WeakPolarHBondContact O-CG2 3.31Å; I1077-V1080 PolarHBondContact O-N 2.91Å; I1077-T1081 PolarHBondContact O-N 2.95Å
1078L85.9Confident78.4Confident40 Ų4046.4 Ų46.421%0.20923%0.226CC..Hα-helixtrans-66.3-31.3177.2-65.3165.5000112.9S1059 P1061 L1064 R1074 V1080 T1081S1059-L1078 WeakPolarHBondContact O-CD2 3.42Å; P1061-L1078 HydrophobicContact CB-CD1 4Å; P1061-L1078 HydrophobicContact CG-CD1 3.84Å; P1061-L1078 HydrophobicContact CG-CD2 4.25Å; L1064-L1078 HydrophobicContact CD2-CD1 4.23Å; L1064-L1078 HydrophobicContact CD2-CD2 4Å; L1064-L1078 HydrophobicContact CD2-CG 3.75Å; R1074-L1078 HydrophobicContact CB-CD1 4.46Å; R1074-L1078 WeakPolarHBondContact O-CB 3.37Å; R1074-L1078 WeakPolarHBondContact O-CD1 3.47Å; R1074-L1078 WeakPolarHBondContact O-CG 3.29Å; R1074-L1078 PolarHBondContact O-N 3.46Å; L1078-V1080 PolarHBondContact O-N 2.89Å; L1078-T1081 WeakPolarHBondContact CA-OG1 3.34Å; L1078-T1081 PolarHBondContact O-N 3.34Å; L1078-T1081 PolarHBondContact O-OG1 3.26Å
1079S86.5Confident77.5Confident71 Ų7156.3 Ų56.350%0.49726%0.263SS..Hα-helixtrans-65.1-29.9177.6630000112.6K881 R1075 R1076 I1077K881-S1079 PolarHBondContact NZ-O 2.88Å; R1075-S1079 WeakPolarHBondContact O-CB 3.17Å; R1075-S1079 PolarHBondContact O-N 3.41Å; R1075-S1079 PolarHBondContact O-OG 2.9Å; R1076-S1079 WeakPolarHBondContact CA-OG 3.38Å; R1076-S1079 PolarHBondContact O-OG 3.32Å; I1077-S1079 VanDerWaalsContact C-N 3.33Å; I1077-S1079 PolarHBondContact O-N 2.82Å
1080V86.4Confident76.7Confident28 Ų2854.9 Ų54.917%0.1727%0.268CS..Hα-helixtrans-89.2-12.4176.6-58.30000113.8Y865 L880 K881 Q882 I1077 L1078Y865-V1080 HydrophobicContact CE1-CB 4.31Å; Y865-V1080 HydrophobicContact CE1-CG2 4.21Å; L880-V1080 WeakPolarHBondContact O-CA 3.39Å; K881-V1080 CarbonylContact C-O 3.52Å; K881-V1080 VanDerWaalsContact CA-O 3.27Å; K881-V1080 WeakPolarHBondContact CA-O 3.35Å; K881-V1080 WeakPolarHBondContact CD-O 3.41Å; Q882-V1080 PolarHBondContact N-O 2.68Å; I1077-V1080 WeakPolarHBondContact O-CG2 3.31Å; I1077-V1080 PolarHBondContact O-N 2.91Å; L1078-V1080 PolarHBondContact O-N 2.89Å
1081T83.5Confident76.2Confident22 Ų2254.8 Ų54.814%0.13527%0.27CS..PPolyproline II helixtrans-72.4145.7174.947.20000112.2K881 I1077 L1078K881-T1081 PolarHBondContact NZ-O 2.86Å; I1077-T1081 PolarHBondContact O-N 2.95Å; L1078-T1081 WeakPolarHBondContact CA-OG1 3.34Å; L1078-T1081 PolarHBondContact O-N 3.34Å; L1078-T1081 PolarHBondContact O-OG1 3.26Å
1082M86Confident75.6Confident7 Ų755.9 Ų55.93%0.03428%0.276CS..PPolyproline II helixtrans-91154.2161.5-73.8-60.2-66.600109.8K881 M1084 M1146 E1147 I1149K881-M1082 HydrophobicContact CB-CG 4.05Å; K881-M1082 HydrophobicContact CB-SD 3.98Å; K881-M1082 HydrophobicContact CD-CG 4.29Å; K881-M1082 HydrophobicContact CD-SD 3.69Å; K881-M1082 HydrophobicContact CG-CG 4.29Å; K881-M1082 HydrophobicContact CG-SD 3.6Å; M1082-M1084 PolarHBondContact O-N 3.41Å; M1082-M1146 HydrophobicContact CB-CG 4.05Å; M1082-M1146 HydrophobicContact CB-SD 4.32Å; M1082-M1146 HydrophobicContact CG-CE 4.49Å; M1082-E1147 HydrophobicContact CE-CB 3.55Å; M1082-E1147 WeakPolarHBondContact CE-O 3.17Å; M1082-I1149 HydrophobicContact CE-CG1 4.38Å; M1082-I1149 HydrophobicContact CG-CD1 4.06Å; M1082-I1149 HydrophobicContact CG-CG1 3.58Å; M1082-I1149 HydrophobicContact SD-CG1 3.95Å
1083P85.1Confident75.2Confident49 Ų4955 Ų5532%0.31828%0.281SS..PPolyproline II helixtrans-56.1128.5167-27.338.3000111.6F1085 M1146 E1147P1083-F1085 HydrophobicContact CB-CE1 4.34Å; P1083-F1085 HydrophobicContact CB-CE2 3.89Å; P1083-F1085 HydrophobicContact CB-CZ 3.55Å; P1083-M1146 WeakPolarHBondContact O-CA 3.49Å; P1083-E1147 HydrophobicContact CB-CB 4.43Å; P1083-E1147 HydrophobicContact CB-CG 4.16Å; P1083-E1147 WeakPolarHBondContact CB-OE1 3.49Å; P1083-E1147 HydrophobicContact CG-CG 4.42Å; P1083-E1147 WeakPolarHBondContact CG-OE1 3.16Å; P1083-E1147 PolarHBondContact O-N 3.12Å; P1083-E1147 VanDerWaalsContact O-N 3.09Å
1084M86.7Confident74.7Confident14 Ų1457 Ų577%0.06930%0.3CS..EExtended strand (participates in β ladder)trans-134.5131.1-177.9-70.8174.87800109.6Q1055 Q1056 M1082 I1144 L1145 M1146Q1055-M1084 HydrophobicContact CB-CE 4.3Å; Q1056-M1084 HydrophobicContact CB-CB 3.93Å; Q1056-M1084 HydrophobicContact CB-CE 4.16Å; Q1056-M1084 VanDerWaalsContact CG-C 3.5Å; Q1056-M1084 HydrophobicContact CG-CB 3.49Å; Q1056-M1084 VanDerWaalsContact CG-CB 3.49Å; Q1056-M1084 VanDerWaalsContact CG-O 3.23Å; Q1056-M1084 WeakPolarHBondContact CG-O 3.49Å; Q1056-M1084 PolarHBondContact NE2-O 3Å; M1082-M1084 PolarHBondContact O-N 3.41Å; M1084-I1144 HydrophobicContact CB-CG2 4.11Å; M1084-I1144 HydrophobicContact CE-CG2 3.83Å; M1084-L1145 CarbonylContact C-O 3.55Å; M1084-L1145 WeakPolarHBondContact CA-O 3.3Å; M1084-M1146 HydrophobicContact CG-CB 4.14Å; M1084-M1146 HydrophobicContact CG-CG 3.69Å; M1084-M1146 HydrophobicContact CG-SD 4.34Å
1085F84.6Confident74.1Confident45 Ų4558.4 Ų58.420%0.19731%0.312CS..EExtended strand (participates in β ladder)trans-127.6132.8-170.1-46.5-74.9000110.1P1083 I1099 Y1110 L1145 E1147P1083-F1085 HydrophobicContact CB-CE1 4.34Å; P1083-F1085 HydrophobicContact CB-CE2 3.89Å; P1083-F1085 HydrophobicContact CB-CZ 3.55Å; F1085-I1099 HydrophobicContact CB-CD1 4.28Å; F1085-I1099 HydrophobicContact CB-CG2 4.29Å; F1085-I1099 HydrophobicContact CD1-CD1 3.36Å; F1085-I1099 HydrophobicContact CD1-CG1 4.34Å; F1085-I1099 HydrophobicContact CD2-CG2 3.79Å; F1085-I1099 HydrophobicContact CE1-CD1 3.67Å; F1085-I1099 HydrophobicContact CE1-CG1 4.37Å; F1085-I1099 HydrophobicContact CE2-CG2 4.19Å; F1085-I1099 HydrophobicContact CG-CD1 3.82Å; F1085-I1099 HydrophobicContact CG-CG2 3.96Å; F1085-I1099 HydrophobicContact CZ-CD1 4.38Å; F1085-Y1110 HydrophobicContact CE2-CE1 4.26Å; F1085-L1145 HydrophobicContact CB-CB 4.41Å; F1085-L1145 HydrophobicContact CD2-CD2 4.36Å; F1085-L1145 PolarHBondContact N-O 3.23Å; F1085-L1145 PolarHBondContact O-N 3.36Å; F1085-E1147 HydrophobicContact CE2-CG 4.4Å
1086G81Confident73.7Confident1 Ų152.6 Ų52.61%0.0129%0.29CS..  trans-104.9167.7174.200000111.6
1087F76.8Confident73.5Confident16 Ų1652.7 Ų52.77%0.0730%0.295CS..  trans-111.425.1178.3-55.7-79.5000112.1W1096 L1100 L1112 L1132 R1140 Q1141 L1145F1087-W1096 HydrophobicContact CD1-CB 4.43Å; F1087-W1096 HydrophobicContact CD1-CD2 4.49Å; F1087-W1096 HydrophobicContact CD1-CE3 4.25Å; F1087-L1100 HydrophobicContact CE1-CD1 3.95Å; F1087-L1112 HydrophobicContact CE2-CD1 3.92Å; F1087-L1112 HydrophobicContact CZ-CD1 4.34Å; F1087-L1132 HydrophobicContact CE1-CD2 4.41Å; F1087-L1132 HydrophobicContact CE2-CD2 4.22Å; F1087-L1132 HydrophobicContact CZ-CD2 3.81Å; F1087-R1140 HydrophobicContact CB-CB 3.9Å; F1087-R1140 HydrophobicContact CD2-CB 4.2Å; F1087-R1140 VanDerWaalsContact CD2-O 3.27Å; F1087-R1140 WeakPolarHBondContact CD2-O 3.4Å; F1087-R1140 HydrophobicContact CG-CB 4Å; F1087-Q1141 WeakPolarHBondContact O-CG 3.27Å; F1087-L1145 HydrophobicContact CE2-CB 4.3Å; F1087-L1145 HydrophobicContact CZ-CB 4.04Å
1088D67.5Low73.6Confident14 Ų1454.4 Ų54.48%0.07531%0.308CS..SBendtrans-99.7170.4-174.367.3-59.2000112.9D828 K1053 S1090 S1091D828-D1088 HydrophobicContact CB-CB 4.26Å; K1053-D1088 WeakPolarHBondContact CE-OD2 3.1Å; K1053-D1088 IonicContact NZ-OD1 3.46Å; K1053-D1088 PolarHBondContact NZ-OD1 3.1Å; K1053-D1088 IonicContact NZ-OD2 3.28Å; K1053-D1088 PolarHBondContact NZ-OD2 3.22Å; D1088-S1090 PolarHBondContact O-N 3.37Å; D1088-S1090 WeakPolarHBondContact OD2-CB 3.21Å; D1088-S1090 PolarHBondContact OD2-OG 3.46Å; D1088-S1091 PolarHBondContact O-N 2.88Å; D1088-S1091 VanDerWaalsContact O-N 3.12Å
1089R57.6Low73.2Confident212 Ų21253.7 Ų53.780%0.830%0.304SS*.THydrogen-bonded Turntrans-67.1-12.8-172.3-62.9172.7171.9178.4-0.7114.2D828 S1091D828-R1089 WeakPolarHBondContact OD2-CB 3.22Å; D828-R1089 WeakPolarHBondContact OD2-CG 3.49Å; D828-R1089 PolarHBondContact OD2-N 3.23Å; R1089-S1091 VanDerWaalsContact C-N 3.32Å
1090S55.6Low73Confident90 Ų9051.6 Ų51.663%0.62929%0.287SS*.THydrogen-bonded Turntrans-77.6-15.3176.273.80000114D1088D1088-S1090 PolarHBondContact O-N 3.37Å; D1088-S1090 WeakPolarHBondContact OD2-CB 3.21Å; D1088-S1090 PolarHBondContact OD2-OG 3.46Å
1091S59.2Low72.9Confident28 Ų2853.9 Ų53.920%0.19630%0.304CS..SBendtrans-97.6137.9173.5-52.70000109.1D1088 R1089D1088-S1091 PolarHBondContact O-N 2.88Å; D1088-S1091 VanDerWaalsContact O-N 3.12Å; R1089-S1091 VanDerWaalsContact C-N 3.32Å
1092S57.3Low73Confident58 Ų5857 Ų5741%0.40632%0.317SS..  trans-68.4148.4178.291.90000110.4A1094 D1095 W1096S1092-A1094 PolarHBondContact O-N 2.74Å; S1092-D1095 WeakPolarHBondContact CB-OD2 3.38Å; S1092-D1095 PolarHBondContact N-OD2 2.93Å; S1092-D1095 PolarHBondContact O-N 3.04Å; S1092-D1095 VanDerWaalsContact O-N 3.09Å; S1092-D1095 PolarHBondContact OG-N 3.34Å; S1092-D1095 PolarHBondContact OG-OD2 2.63Å; S1092-W1096 PolarHBondContact O-N 2.7Å
1093A57.3Low72.9Confident58 Ų5856.7 Ų56.748%0.47932%0.316SS..Hα-helixtrans-58.6-40-177.700000112.2D1095 E1097A1093-D1095 VanDerWaalsContact C-N 3.33Å; A1093-D1095 PolarHBondContact O-N 3.03Å; A1093-E1097 WeakPolarHBondContact O-CB 3.49Å; A1093-E1097 WeakPolarHBondContact O-CG 3.34Å; A1093-E1097 PolarHBondContact O-N 3.45Å; A1093-E1097 VanDerWaalsContact O-N 3.08Å
1094A57.2Low73Confident61 Ų6157.3 Ų57.350%0.50432%0.316SS..Hα-helixtrans-63.6-35.717700000112.9S1092 T1098S1092-A1094 PolarHBondContact O-N 2.74Å; A1094-T1098 VanDerWaalsContact O-CB 3.29Å; A1094-T1098 WeakPolarHBondContact O-CB 3.26Å; A1094-T1098 PolarHBondContact O-N 2.81Å; A1094-T1098 VanDerWaalsContact O-N 3.14Å; A1094-T1098 PolarHBondContact O-OG1 3.41Å
1095D66.6Low73.1Confident91 Ų9164 Ų6449%0.48734%0.344SS..Hα-helixtrans-66.1-54.6179.7-61.6-44.8000110.6S1092 A1093 E1097 T1098 I1099S1092-D1095 WeakPolarHBondContact CB-OD2 3.38Å; S1092-D1095 PolarHBondContact N-OD2 2.93Å; S1092-D1095 PolarHBondContact O-N 3.04Å; S1092-D1095 VanDerWaalsContact O-N 3.09Å; S1092-D1095 PolarHBondContact OG-N 3.34Å; S1092-D1095 PolarHBondContact OG-OD2 2.63Å; A1093-D1095 VanDerWaalsContact C-N 3.33Å; A1093-D1095 PolarHBondContact O-N 3.03Å; D1095-E1097 PolarHBondContact O-N 3.35Å; D1095-T1098 PolarHBondContact O-N 3.09Å; D1095-I1099 VanDerWaalsContact O-CD1 3.32Å; D1095-I1099 WeakPolarHBondContact O-CD1 3.45Å; D1095-I1099 VanDerWaalsContact O-CG1 3.27Å; D1095-I1099 WeakPolarHBondContact O-CG1 3.44Å; D1095-I1099 PolarHBondContact O-N 2.81Å
1096W70.8Confident73.3Confident53 Ų5366.1 Ų66.120%0.20136%0.355CS..Hα-helixtrans-72.6-30.3-175.573.7-106.9000112.9F1087 S1092 I1099 L1100F1087-W1096 HydrophobicContact CD1-CB 4.43Å; F1087-W1096 HydrophobicContact CD1-CD2 4.49Å; F1087-W1096 HydrophobicContact CD1-CE3 4.25Å; S1092-W1096 PolarHBondContact O-N 2.7Å; W1096-I1099 PolarHBondContact O-N 3.09Å; W1096-L1100 WeakPolarHBondContact O-CB 3.41Å; W1096-L1100 PolarHBondContact O-N 3.02Å
1097E73.6Confident73.6Confident107 Ų10767.1 Ų67.150%0.536%0.361SS..Hα-helixtrans-65.1-39.6171.9-76.8-175.5172.100111.7A1093 D1095 S1101A1093-E1097 WeakPolarHBondContact O-CB 3.49Å; A1093-E1097 WeakPolarHBondContact O-CG 3.34Å; A1093-E1097 PolarHBondContact O-N 3.45Å; A1093-E1097 VanDerWaalsContact O-N 3.08Å; D1095-E1097 PolarHBondContact O-N 3.35Å; E1097-S1101 WeakPolarHBondContact O-CB 3.33Å; E1097-S1101 PolarHBondContact O-N 2.84Å; E1097-S1101 PolarHBondContact O-OG 3.12Å
1098T79.9Confident74.1Confident77 Ų7770.4 Ų70.447%0.47238%0.38SS..Hα-helixtrans-64.2-48.2175.3-59.90000110.8A1094 D1095 S1101 Q1102A1094-T1098 VanDerWaalsContact O-CB 3.29Å; A1094-T1098 WeakPolarHBondContact O-CB 3.26Å; A1094-T1098 PolarHBondContact O-N 2.81Å; A1094-T1098 VanDerWaalsContact O-N 3.14Å; A1094-T1098 PolarHBondContact O-OG1 3.41Å; D1095-T1098 PolarHBondContact O-N 3.09Å; T1098-S1101 WeakPolarHBondContact O-CB 3.24Å; T1098-S1101 PolarHBondContact O-N 3.02Å; T1098-Q1102 WeakPolarHBondContact O-CG 3.38Å; T1098-Q1102 PolarHBondContact O-N 3.41Å
1099I78.4Confident75.1Confident26 Ų2671.4 Ų71.413%0.13339%0.385CS..Hα-helixtrans-64.5-41.5179-67.1156.6000111.2F1085 D1095 W1096 S1101 Q1102 A1103 L1145F1085-I1099 HydrophobicContact CB-CD1 4.28Å; F1085-I1099 HydrophobicContact CB-CG2 4.29Å; F1085-I1099 HydrophobicContact CD1-CD1 3.36Å; F1085-I1099 HydrophobicContact CD1-CG1 4.34Å; F1085-I1099 HydrophobicContact CD2-CG2 3.79Å; F1085-I1099 HydrophobicContact CE1-CD1 3.67Å; F1085-I1099 HydrophobicContact CE1-CG1 4.37Å; F1085-I1099 HydrophobicContact CE2-CG2 4.19Å; F1085-I1099 HydrophobicContact CG-CD1 3.82Å; F1085-I1099 HydrophobicContact CG-CG2 3.96Å; F1085-I1099 HydrophobicContact CZ-CD1 4.38Å; D1095-I1099 VanDerWaalsContact O-CD1 3.32Å; D1095-I1099 WeakPolarHBondContact O-CD1 3.45Å; D1095-I1099 VanDerWaalsContact O-CG1 3.27Å; D1095-I1099 WeakPolarHBondContact O-CG1 3.44Å; D1095-I1099 PolarHBondContact O-N 2.81Å; W1096-I1099 PolarHBondContact O-N 3.09Å; I1099-S1101 VanDerWaalsContact C-N 3.34Å; I1099-S1101 PolarHBondContact O-N 2.91Å; I1099-Q1102 WeakPolarHBondContact O-CB 3.34Å; I1099-Q1102 PolarHBondContact O-N 3.32Å; I1099-A1103 WeakPolarHBondContact O-CB 3.4Å; I1099-A1103 PolarHBondContact O-N 3.44Å; I1099-L1145 HydrophobicContact CG2-CD2 3.53Å
1100L81.8Confident76.7Confident27 Ų2762.1 Ų62.114%0.14135%0.35CS..Hα-helixtrans-65.6-38.2177.1-177.5136.7000111.3F1087 W1096 A1103 I1104 L1132F1087-L1100 HydrophobicContact CE1-CD1 3.95Å; W1096-L1100 WeakPolarHBondContact O-CB 3.41Å; W1096-L1100 PolarHBondContact O-N 3.02Å; L1100-A1103 PolarHBondContact O-N 3.4Å; L1100-I1104 HydrophobicContact CD2-CD1 3.6Å; L1100-I1104 HydrophobicContact CG-CD1 4.19Å; L1100-I1104 WeakPolarHBondContact O-CB 3.31Å; L1100-I1104 VanDerWaalsContact O-CG1 3.3Å; L1100-I1104 WeakPolarHBondContact O-CG1 3.35Å; L1100-I1104 PolarHBondContact O-N 2.94Å; L1100-L1132 HydrophobicContact CD1-CB 4.44Å; L1100-L1132 HydrophobicContact CD1-CD1 4.46Å; L1100-L1132 HydrophobicContact CD1-CD2 4.25Å
1101S84.9Confident78.3Confident75 Ų7558.1 Ų58.152%0.52432%0.322SS..Hα-helixtrans-63.4-41172.3-59.10000112E1097 T1098 I1099 K1105E1097-S1101 WeakPolarHBondContact O-CB 3.33Å; E1097-S1101 PolarHBondContact O-N 2.84Å; E1097-S1101 PolarHBondContact O-OG 3.12Å; T1098-S1101 WeakPolarHBondContact O-CB 3.24Å; T1098-S1101 PolarHBondContact O-N 3.02Å; I1099-S1101 VanDerWaalsContact C-N 3.34Å; I1099-S1101 PolarHBondContact O-N 2.91Å; S1101-K1105 WeakPolarHBondContact O-CB 3.28Å; S1101-K1105 PolarHBondContact O-N 3.39Å; S1101-K1105 VanDerWaalsContact O-N 3.08Å
1102Q84.6Confident79.7Confident89 Ų8956.8 Ų56.842%0.41631%0.312SS..Hα-helixtrans-65.2-42.7173.5-71.5173.6000112T1098 I1099 I1104 K1105 E1106T1098-Q1102 WeakPolarHBondContact O-CG 3.38Å; T1098-Q1102 PolarHBondContact O-N 3.41Å; I1099-Q1102 WeakPolarHBondContact O-CB 3.34Å; I1099-Q1102 PolarHBondContact O-N 3.32Å; Q1102-I1104 PolarHBondContact O-N 2.8Å; Q1102-K1105 PolarHBondContact O-N 2.94Å; Q1102-E1106 PolarHBondContact O-N 3.18Å
1103A85Confident81.1Confident0 Ų054.6 Ų54.60%030%0.295CS..Hα-helixtrans-67.8-32.1179.100000113.3I1099 L1100 P1107 Y1110 L1145I1099-A1103 WeakPolarHBondContact O-CB 3.4Å; I1099-A1103 PolarHBondContact O-N 3.44Å; L1100-A1103 PolarHBondContact O-N 3.4Å; A1103-P1107 WeakPolarHBondContact O-CA 3.31Å; A1103-P1107 WeakPolarHBondContact O-CB 3.43Å; A1103-Y1110 HydrophobicContact CB-CD1 4.46Å; A1103-Y1110 HydrophobicContact CB-CD2 3.79Å; A1103-Y1110 HydrophobicContact CB-CE2 4.13Å; A1103-Y1110 HydrophobicContact CB-CG 3.97Å; A1103-L1145 HydrophobicContact CB-CD1 4.37Å; A1103-L1145 HydrophobicContact CB-CD2 3.84Å
1104I87.1Confident82.3Confident62 Ų6252.4 Ų52.432%0.31828%0.276SS..Hα-helixtrans-71.6-36.1171.6-70.5168.8000111.2L1100 Q1102L1100-I1104 HydrophobicContact CD2-CD1 3.6Å; L1100-I1104 HydrophobicContact CG-CD1 4.19Å; L1100-I1104 WeakPolarHBondContact O-CB 3.31Å; L1100-I1104 VanDerWaalsContact O-CG1 3.3Å; L1100-I1104 WeakPolarHBondContact O-CG1 3.35Å; L1100-I1104 PolarHBondContact O-N 2.94Å; Q1102-I1104 PolarHBondContact O-N 2.8Å
1105K88.8Confident83.1Confident155 Ų15549.7 Ų49.767%0.67425%0.253SS*.Hα-helixtrans-74.6-37.5179-173.3-166.7168.3-131.80112.7S1101 Q1102 P1107S1101-K1105 WeakPolarHBondContact O-CB 3.28Å; S1101-K1105 PolarHBondContact O-N 3.39Å; S1101-K1105 VanDerWaalsContact O-N 3.08Å; Q1102-K1105 PolarHBondContact O-N 2.94Å; K1105-P1107 VanDerWaalsContact C-CD 3.41Å; K1105-P1107 WeakPolarHBondContact O-CD 3.39Å
1106E88.4Confident83Confident88 Ų8851 Ų5141%0.41125%0.251SS..SBendtrans-12856.8-172.8-64.4176.6-152.800111.4Q1102 N1108 D1109Q1102-E1106 PolarHBondContact O-N 3.18Å; E1106-N1108 PolarHBondContact O-N 2.67Å; E1106-D1109 PolarHBondContact O-N 3Å
1107P88.3Confident82.6Confident23 Ų2348.7 Ų48.715%0.14924%0.243CC..THydrogen-bonded Turntrans-70.5-3.8-16732.6-40.6000114.9A1103 K1105 M1128 I1129A1103-P1107 WeakPolarHBondContact O-CA 3.31Å; A1103-P1107 WeakPolarHBondContact O-CB 3.43Å; K1105-P1107 VanDerWaalsContact C-CD 3.41Å; K1105-P1107 WeakPolarHBondContact O-CD 3.39Å; P1107-M1128 HydrophobicContact CB-CE 3.88Å; P1107-I1129 HydrophobicContact CB-CD1 3.76Å; P1107-I1129 HydrophobicContact CB-CG1 4.22Å; P1107-I1129 HydrophobicContact CG-CD1 3.91Å
1108N87.2Confident81.7Confident85 Ų8544.9 Ų44.946%0.45523%0.232SC..THydrogen-bonded Turntrans-79.9-24.5171.6-71.8-52.1000113E1106 Q1125 R1148E1106-N1108 PolarHBondContact O-N 2.67Å; N1108-Q1125 PolarHBondContact OD1-NE2 3.45Å; N1108-R1148 WeakPolarHBondContact O-CD 3.45Å
1109D88.5Confident80.4Confident34 Ų3442.9 Ų42.918%0.18223%0.227CC..SBendtrans-91.12.6-175.4-8633.5000112.8K871 E1106 E1147 R1148 K1150K871-D1109 IonicContact NZ-OD2 2.85Å; K871-D1109 PolarHBondContact NZ-OD2 2.69Å; E1106-D1109 PolarHBondContact O-N 3Å; D1109-E1147 WeakPolarHBondContact O-CA 3.3Å; D1109-R1148 WeakPolarHBondContact O-CB 3.39Å; D1109-R1148 PolarHBondContact O-N 3.19Å; D1109-K1150 WeakPolarHBondContact OD1-CE 3.24Å; D1109-K1150 IonicContact OD1-NZ 3.36Å; D1109-K1150 PolarHBondContact OD1-NZ 2.8Å; D1109-K1150 IonicContact OD2-NZ 2.78Å; D1109-K1150 PolarHBondContact OD2-NZ 3.2Å
1110Y90.3Very high79.5Confident18 Ų1843.1 Ų43.17%0.07124%0.236CC..EExtended strand (participates in β ladder)trans-130.3159.8179.7-60.6-88.6000112.9F1085 A1103 L1145 M1146 E1147F1085-Y1110 HydrophobicContact CE2-CE1 4.26Å; A1103-Y1110 HydrophobicContact CB-CD1 4.46Å; A1103-Y1110 HydrophobicContact CB-CD2 3.79Å; A1103-Y1110 HydrophobicContact CB-CE2 4.13Å; A1103-Y1110 HydrophobicContact CB-CG 3.97Å; Y1110-L1145 HydrophobicContact CD1-CD1 4.43Å; Y1110-L1145 HydrophobicContact CD1-CD2 3.82Å; Y1110-L1145 HydrophobicContact CD1-CG 3.97Å; Y1110-L1145 HydrophobicContact CE1-CD2 4.26Å; Y1110-L1145 HydrophobicContact CG-CD1 4.45Å; Y1110-L1145 HydrophobicContact CG-CD2 4.4Å; Y1110-L1145 HydrophobicContact CG-CG 4.48Å; Y1110-M1146 CarbonylContact C-O 3.56Å; Y1110-M1146 WeakPolarHBondContact CA-O 3.38Å; Y1110-E1147 HydrophobicContact CD1-CG 4.17Å; Y1110-E1147 HydrophobicContact CE1-CG 3.8Å
1111V89.2Confident79Confident6 Ų645.7 Ų45.74%0.03625%0.247CC..EExtended strand (participates in β ladder)trans-137.3135.3168.157.60000108.9K1113 N1122 Y1124 M1146V1111-K1113 HydrophobicContact CG2-CG 4.45Å; V1111-N1122 HydrophobicContact CG2-CB 3.73Å; V1111-Y1124 HydrophobicContact CB-CD1 4.16Å; V1111-Y1124 HydrophobicContact CB-CE1 3.95Å; V1111-Y1124 HydrophobicContact CG2-CD1 3.83Å; V1111-Y1124 HydrophobicContact CG2-CE1 3.39Å; V1111-Y1124 HydrophobicContact CG2-CE2 4.3Å; V1111-Y1124 HydrophobicContact CG2-CG 4.45Å; V1111-M1146 HydrophobicContact CG1-CB 4.11Å; V1111-M1146 HydrophobicContact CG1-CE 4.03Å; V1111-M1146 PolarHBondContact N-O 2.91Å; V1111-M1146 PolarHBondContact O-N 3.46Å
1112L89.3Confident78.8Confident0 Ų043.6 Ų43.60%023%0.23CC..EExtended strand (participates in β ladder)trans-100.8116.3177.6-176.175.1000109.4F1087 N1122 F1123 M1128 L1131 L1132 Y1143 L1145F1087-L1112 HydrophobicContact CE2-CD1 3.92Å; F1087-L1112 HydrophobicContact CZ-CD1 4.34Å; L1112-N1122 WeakPolarHBondContact O-CA 3.4Å; L1112-F1123 HydrophobicContact CB-CB 4.24Å; L1112-F1123 HydrophobicContact CD2-CB 4.48Å; L1112-F1123 PolarHBondContact N-O 2.43Å; L1112-F1123 PolarHBondContact O-N 2.93Å; L1112-M1128 HydrophobicContact CB-CB 4.39Å; L1112-M1128 HydrophobicContact CB-CG 3.7Å; L1112-M1128 HydrophobicContact CB-SD 3.92Å; L1112-M1128 HydrophobicContact CD2-CG 4.2Å; L1112-L1131 HydrophobicContact CD2-CD2 3.86Å; L1112-L1132 HydrophobicContact CD1-CD2 4.06Å; L1112-L1132 HydrophobicContact CD2-CD2 3.93Å; L1112-L1132 HydrophobicContact CD2-CG 3.98Å; L1112-Y1143 HydrophobicContact CD1-CG 4.42Å; L1112-Y1143 HydrophobicContact CD2-CD1 4.08Å; L1112-Y1143 HydrophobicContact CD2-CG 4.3Å; L1112-Y1143 HydrophobicContact CG-CD1 4.04Å; L1112-Y1143 HydrophobicContact CG-CG 4.28Å; L1112-L1145 HydrophobicContact CB-CD1 4.29Å; L1112-L1145 HydrophobicContact CD1-CB 4.2Å; L1112-L1145 HydrophobicContact CD1-CD1 4.09Å
1113K86.7Confident78.9Confident11 Ų1142.3 Ų42.35%0.04822%0.223CC..EExtended strand (participates in β ladder)trans-105123.5-176.8-52.4-160.5173.6-173.30110.4V883 K1052 V1111 N1122 Y1143 I1144V883-K1113 PolarHBondContact O-NZ 3.32Å; K1052-K1113 HydrophobicContact CD-CB 3.93Å; K1052-K1113 HydrophobicContact CD-CD 4.23Å; V1111-K1113 HydrophobicContact CG2-CG 4.45Å; K1113-N1122 WeakPolarHBondContact CB-OD1 3.37Å; K1113-N1122 WeakPolarHBondContact CG-OD1 3.4Å; K1113-Y1143 WeakPolarHBondContact O-CA 3.44Å; K1113-I1144 PolarHBondContact N-O 3.35Å; K1113-I1144 PolarHBondContact O-N 3.14Å
1114P81.9Confident79Confident12 Ų1244 Ų448%0.07823%0.23CC..EExtended strand (participates in β ladder)trans-69.9157.4168.830.4-33.4000110.4K1052 R1116 H1121 Y1143K1052-P1114 WeakPolarHBondContact CD-O 3.46Å; P1114-R1116 PolarHBondContact O-N 2.88Å; P1114-R1116 VanDerWaalsContact O-N 3.07Å; P1114-H1121 WeakPolarHBondContact CD-O 3.33Å; P1114-H1121 HydrophobicContact CG-CB 3.66Å; P1114-H1121 WeakPolarHBondContact CG-O 3.26Å; P1114-Y1143 HydrophobicContact CB-CD1 3.96Å; P1114-Y1143 HydrophobicContact CB-CE1 3.87Å
1115L73.8Confident79.1Confident4 Ų444.6 Ų44.62%0.02123%0.231CC..SBendtrans-66.6-6.9-178.8-65.7168.9000115.5I829 V1051 K1052 K1053 A1142 I1144I829-L1115 HydrophobicContact CB-CD1 4.27Å; I829-L1115 HydrophobicContact CD1-CD1 3.64Å; I829-L1115 HydrophobicContact CD1-CD2 3.99Å; I829-L1115 HydrophobicContact CD1-CG 4.49Å; I829-L1115 HydrophobicContact CG1-CD1 3.86Å; I829-L1115 HydrophobicContact CG2-CD1 3.41Å; I829-L1115 VanDerWaalsContact CG2-CD1 3.41Å; V1051-L1115 HydrophobicContact CG1-CB 4.49Å; V1051-L1115 HydrophobicContact CG1-CD2 3.98Å; K1052-L1115 HydrophobicContact CB-CD2 4.4Å; K1053-L1115 HydrophobicContact CB-CD2 3.96Å; L1115-A1142 WeakPolarHBondContact CG-O 3.37Å; L1115-A1142 PolarHBondContact N-O 2.97Å; L1115-A1142 VanDerWaalsContact N-O 3.12Å; L1115-I1144 HydrophobicContact CD2-CG1 4.06Å
1116R65Low79Confident118 Ų11842.4 Ų42.445%0.44523%0.227SC..  trans-68.5145.6-179.5-59.8-178.2-175.5-178.32.1111.7K1052 P1114K1052-R1116 PolarHBondContact NZ-O 2.86Å; P1114-R1116 PolarHBondContact O-N 2.88Å; P1114-R1116 VanDerWaalsContact O-N 3.07Å
1117E61.6Low78.9Confident6 Ų643.2 Ų43.23%0.02823%0.234CC..SBendtrans-89.8150.7171.3-67.2-6699.600110.6I888 K1052I888-E1117 HydrophobicContact CG2-CB 4.19Å; I888-E1117 HydrophobicContact CG2-CG 4.16Å; K1052-E1117 IonicContact NZ-OE1 3.86Å; K1052-E1117 PolarHBondContact NZ-OE1 3.19Å
1118G54Low79.1Confident27 Ų2742.1 Ų42.128%0.27823%0.227SC..SBendtrans97.5135.8-167.600000112.9
1119G53.3Low79.1Confident34 Ų3438.9 Ų38.935%0.35121%0.21SC..SBendtrans-78.3164.8179.700000113.4
1120G59.1Low79.1Confident32 Ų3243.2 Ų43.233%0.3323%0.229SC..SBendtrans99.212-178.200000115.4E1206G1120-E1206 VanDerWaalsContact CA-CD 3.43Å; G1120-E1206 WeakPolarHBondContact CA-OE2 3.46Å; G1120-E1206 PolarHBondContact N-OE2 2.8Å
1121H71.7Confident79Confident80 Ų8043.8 Ų43.837%0.3723%0.233SC..  trans-124.14.5-173.1-59.9-42.9000114.7P1114 F1123 E1206P1114-H1121 WeakPolarHBondContact CD-O 3.33Å; P1114-H1121 HydrophobicContact CG-CB 3.66Å; P1114-H1121 WeakPolarHBondContact CG-O 3.26Å; H1121-F1123 WeakPolarHBondContact O-CD2 3.47Å; H1121-F1123 VanDerWaalsContact O-CE2 3.24Å; H1121-F1123 WeakPolarHBondContact O-CE2 3.15Å; H1121-E1206 PolarHBondContact N-OE1 3.24Å
1122N82Confident78.7Confident32 Ų3243.9 Ų43.917%0.17123%0.233CC..  trans-85.2148.6-177-47.1-80.2000111.1V1111 L1112 K1113 Y1124 E1206V1111-N1122 HydrophobicContact CG2-CB 3.73Å; L1112-N1122 WeakPolarHBondContact O-CA 3.4Å; K1113-N1122 WeakPolarHBondContact CB-OD1 3.37Å; K1113-N1122 WeakPolarHBondContact CG-OD1 3.4Å; N1122-Y1124 HydrophobicContact CB-CE2 3.69Å; N1122-Y1124 WeakPolarHBondContact O-CD2 3.26Å; N1122-Y1124 WeakPolarHBondContact O-CE2 3.3Å; N1122-E1206 VanDerWaalsContact CB-OE1 3.26Å; N1122-E1206 WeakPolarHBondContact CB-OE1 3.16Å; N1122-E1206 PolarHBondContact N-OE1 3.02Å; N1122-E1206 PolarHBondContact ND2-OE1 3.2Å; N1122-E1206 PolarHBondContact ND2-OE2 3.22Å
1123F86.6Confident78.5Confident62 Ų6250.9 Ų50.927%0.27226%0.263SS..BIsolated β-bridgetrans-106137.9179.2-56.5-101.5000109.6L1112 H1121 N1127 M1128 L1131 Y1143L1112-F1123 HydrophobicContact CB-CB 4.24Å; L1112-F1123 HydrophobicContact CD2-CB 4.48Å; L1112-F1123 PolarHBondContact N-O 2.43Å; L1112-F1123 PolarHBondContact O-N 2.93Å; H1121-F1123 WeakPolarHBondContact O-CD2 3.47Å; H1121-F1123 VanDerWaalsContact O-CE2 3.24Å; H1121-F1123 WeakPolarHBondContact O-CE2 3.15Å; F1123-N1127 HydrophobicContact CD1-CB 4.38Å; F1123-M1128 HydrophobicContact CB-CB 4.06Å; F1123-L1131 HydrophobicContact CD1-CB 4.48Å; F1123-L1131 HydrophobicContact CD1-CD2 3.8Å; F1123-L1131 HydrophobicContact CD2-CD2 3.65Å; F1123-L1131 HydrophobicContact CE1-CD2 3.74Å; F1123-L1131 HydrophobicContact CE2-CD2 3.61Å; F1123-L1131 HydrophobicContact CG-CD2 3.76Å; F1123-L1131 HydrophobicContact CZ-CD2 3.66Å; F1123-Y1143 HydrophobicContact CD2-CE1 4.27Å; F1123-Y1143 AromaticContact CE2-CE1 3.82Å; F1123-Y1143 HydrophobicContact CE2-CE1 3.82Å
1124Y86.6Confident78.4Confident34 Ų3454.5 Ų54.513%0.13329%0.29CS..  trans-132152.1-175.3-56.6-96.7000108.8V1111 N1122 D1126 N1127 M1128 N1205 E1206V1111-Y1124 HydrophobicContact CB-CD1 4.16Å; V1111-Y1124 HydrophobicContact CB-CE1 3.95Å; V1111-Y1124 HydrophobicContact CG2-CD1 3.83Å; V1111-Y1124 HydrophobicContact CG2-CE1 3.39Å; V1111-Y1124 HydrophobicContact CG2-CE2 4.3Å; V1111-Y1124 HydrophobicContact CG2-CG 4.45Å; N1122-Y1124 HydrophobicContact CB-CE2 3.69Å; N1122-Y1124 WeakPolarHBondContact O-CD2 3.26Å; N1122-Y1124 WeakPolarHBondContact O-CE2 3.3Å; Y1124-D1126 PolarHBondContact O-N 3.24Å; Y1124-N1127 PolarHBondContact O-N 3.46Å; Y1124-M1128 PolarHBondContact O-N 3.45Å; Y1124-N1205 HydrophobicContact CD1-CB 4.03Å; Y1124-N1205 HydrophobicContact CD2-CB 3.75Å; Y1124-N1205 HydrophobicContact CE1-CB 3.89Å; Y1124-N1205 HydrophobicContact CE2-CB 3.62Å; Y1124-N1205 HydrophobicContact CG-CB 3.97Å; Y1124-N1205 PolarHBondContact OH-O 3.45Å; Y1124-E1206 HydrophobicContact CE2-CG 4.36Å
1125Q88.1Confident78.2Confident76 Ų7654.5 Ų54.536%0.35529%0.29SS..Hα-helixtrans51.4-129.8168.7-64170.7-33.800112.3N1108 N1127 M1128 I1129N1108-Q1125 PolarHBondContact OD1-NE2 3.45Å; Q1125-N1127 PolarHBondContact O-N 3.41Å; Q1125-M1128 WeakPolarHBondContact O-CB 3.46Å; Q1125-M1128 PolarHBondContact O-N 2.86Å; Q1125-M1128 VanDerWaalsContact O-N 3.13Å; Q1125-I1129 PolarHBondContact O-N 3.01Å; Q1125-I1129 VanDerWaalsContact O-N 3.16Å
1126D87.6Confident78.4Confident108 Ų10855.5 Ų55.558%0.57830%0.302SS*.Hα-helixtrans-63-38.9-175.3-58-41.8000112.4Y1124 M1128 I1129 E1130Y1124-D1126 PolarHBondContact O-N 3.24Å; D1126-M1128 PolarHBondContact O-N 3.24Å; D1126-I1129 CarbonylContact O-C 3.34Å; D1126-I1129 WeakPolarHBondContact O-CA 2.96Å; D1126-I1129 WeakPolarHBondContact O-CB 3.1Å; D1126-I1129 PolarHBondContact O-N 3.17Å; D1126-E1130 WeakPolarHBondContact O-CG 3.28Å; D1126-E1130 PolarHBondContact O-N 2.65Å
1127N87.3Confident78.9Confident106 Ų10654.4 Ų54.457%0.56731%0.31SS*.Hα-helixtrans-60.1-33.4176-63.1-8.1000112.4F1123 Y1124 Q1125 L1131F1123-N1127 HydrophobicContact CD1-CB 4.38Å; Y1124-N1127 PolarHBondContact O-N 3.46Å; Q1125-N1127 PolarHBondContact O-N 3.41Å; N1127-L1131 WeakPolarHBondContact O-CB 3.42Å; N1127-L1131 PolarHBondContact O-N 3.09Å
1128M90.6Very high79.6Confident0 Ų057.7 Ų57.70%033%0.331CS..Hα-helixtrans-70.4-43.1173.3171.1-178.469.500111P1107 L1112 F1123 Y1124 Q1125 D1126 L1131 L1132 L1145P1107-M1128 HydrophobicContact CB-CE 3.88Å; L1112-M1128 HydrophobicContact CB-CB 4.39Å; L1112-M1128 HydrophobicContact CB-CG 3.7Å; L1112-M1128 HydrophobicContact CB-SD 3.92Å; L1112-M1128 HydrophobicContact CD2-CG 4.2Å; F1123-M1128 HydrophobicContact CB-CB 4.06Å; Y1124-M1128 PolarHBondContact O-N 3.45Å; Q1125-M1128 WeakPolarHBondContact O-CB 3.46Å; Q1125-M1128 PolarHBondContact O-N 2.86Å; Q1125-M1128 VanDerWaalsContact O-N 3.13Å; D1126-M1128 PolarHBondContact O-N 3.24Å; M1128-L1131 PolarHBondContact O-N 2.88Å; M1128-L1132 HydrophobicContact CG-CD1 3.83Å; M1128-L1132 HydrophobicContact CG-CG 4.41Å; M1128-L1132 WeakPolarHBondContact O-CB 2.79Å; M1128-L1132 VanDerWaalsContact O-CG 3.27Å; M1128-L1132 WeakPolarHBondContact O-CG 3.25Å; M1128-L1132 PolarHBondContact O-N 3.13Å; M1128-L1145 HydrophobicContact SD-CD1 3.61Å
1129I89Confident80.7Confident17 Ų1761.8 Ų61.89%0.08734%0.342CS..Hα-helixtrans-64.5-45.2178.8-67.1172.8000110.9P1107 Q1125 D1126 L1132 K1133P1107-I1129 HydrophobicContact CB-CD1 3.76Å; P1107-I1129 HydrophobicContact CB-CG1 4.22Å; P1107-I1129 HydrophobicContact CG-CD1 3.91Å; Q1125-I1129 PolarHBondContact O-N 3.01Å; Q1125-I1129 VanDerWaalsContact O-N 3.16Å; D1126-I1129 CarbonylContact O-C 3.34Å; D1126-I1129 WeakPolarHBondContact O-CA 2.96Å; D1126-I1129 WeakPolarHBondContact O-CB 3.1Å; D1126-I1129 PolarHBondContact O-N 3.17Å; I1129-L1132 PolarHBondContact O-N 2.91Å; I1129-K1133 HydrophobicContact CG2-CD 3.78Å; I1129-K1133 HydrophobicContact CG2-CG 4.38Å; I1129-K1133 VanDerWaalsContact CG2-NZ 3.34Å; I1129-K1133 WeakPolarHBondContact O-CB 3.44Å; I1129-K1133 VanDerWaalsContact O-CG 3.25Å; I1129-K1133 WeakPolarHBondContact O-CG 3.31Å; I1129-K1133 PolarHBondContact O-N 2.82Å
1130E88.4Confident82.1Confident125 Ų12562.3 Ų62.358%0.58433%0.334SS*.Hα-helixtrans-60.6-45.1177.7-72.5-177.5175.400111.3D1126 K1133 S1134D1126-E1130 WeakPolarHBondContact O-CG 3.28Å; D1126-E1130 PolarHBondContact O-N 2.65Å; E1130-K1133 PolarHBondContact O-N 3.2Å; E1130-S1134 WeakPolarHBondContact O-CB 3.36Å; E1130-S1134 PolarHBondContact O-N 2.97Å; E1130-S1134 PolarHBondContact O-OG 3.33Å
1131L86.7Confident83.1Confident29 Ų2962.2 Ų62.215%0.15233%0.325CS..Hα-helixtrans-64.7-47.4177.2-167.666.4000112L1112 F1123 N1127 M1128 K1133 S1134 C1135 Y1143L1112-L1131 HydrophobicContact CD2-CD2 3.86Å; F1123-L1131 HydrophobicContact CD1-CB 4.48Å; F1123-L1131 HydrophobicContact CD1-CD2 3.8Å; F1123-L1131 HydrophobicContact CD2-CD2 3.65Å; F1123-L1131 HydrophobicContact CE1-CD2 3.74Å; F1123-L1131 HydrophobicContact CE2-CD2 3.61Å; F1123-L1131 HydrophobicContact CG-CD2 3.76Å; F1123-L1131 HydrophobicContact CZ-CD2 3.66Å; N1127-L1131 WeakPolarHBondContact O-CB 3.42Å; N1127-L1131 PolarHBondContact O-N 3.09Å; M1128-L1131 PolarHBondContact O-N 2.88Å; L1131-K1133 VanDerWaalsContact C-N 3.25Å; L1131-K1133 PolarHBondContact O-N 3.18Å; L1131-S1134 WeakPolarHBondContact CA-OG 3.21Å; L1131-S1134 PolarHBondContact O-N 3.13Å; L1131-S1134 PolarHBondContact O-OG 3.2Å; L1131-C1135 WeakPolarHBondContact O-CB 3.41Å; L1131-C1135 PolarHBondContact O-N 3.4Å; L1131-C1135 PolarHBondContact O-SG 3.48Å; L1131-C1135 VanDerWaalsContact O-SG 3.35Å; L1131-Y1143 HydrophobicContact CD2-CD1 4.11Å; L1131-Y1143 HydrophobicContact CD2-CE1 3.42Å; L1131-Y1143 VanDerWaalsContact CD2-CE1 3.42Å; L1131-Y1143 HydrophobicContact CD2-CE2 4.33Å
1132L84Confident83.4Confident9 Ų959.3 Ų59.35%0.04732%0.315CS..Hα-helixtrans-62.5-30.7177.9-71.6173.4000113.3F1087 L1100 L1112 M1128 I1129F1087-L1132 HydrophobicContact CE1-CD2 4.41Å; F1087-L1132 HydrophobicContact CE2-CD2 4.22Å; F1087-L1132 HydrophobicContact CZ-CD2 3.81Å; L1100-L1132 HydrophobicContact CD1-CB 4.44Å; L1100-L1132 HydrophobicContact CD1-CD1 4.46Å; L1100-L1132 HydrophobicContact CD1-CD2 4.25Å; L1112-L1132 HydrophobicContact CD1-CD2 4.06Å; L1112-L1132 HydrophobicContact CD2-CD2 3.93Å; L1112-L1132 HydrophobicContact CD2-CG 3.98Å; M1128-L1132 HydrophobicContact CG-CD1 3.83Å; M1128-L1132 HydrophobicContact CG-CG 4.41Å; M1128-L1132 WeakPolarHBondContact O-CB 2.79Å; M1128-L1132 VanDerWaalsContact O-CG 3.27Å; M1128-L1132 WeakPolarHBondContact O-CG 3.25Å; M1128-L1132 PolarHBondContact O-N 3.13Å; I1129-L1132 PolarHBondContact O-N 2.91Å
1133K84.8Confident83.5Confident146 Ų14659.8 Ų59.864%0.63531%0.314SS*.Hα-helixtrans-77.2-34.3175.5-77.1174.1179.4170.10113.5I1129 E1130 L1131I1129-K1133 HydrophobicContact CG2-CD 3.78Å; I1129-K1133 HydrophobicContact CG2-CG 4.38Å; I1129-K1133 VanDerWaalsContact CG2-NZ 3.34Å; I1129-K1133 WeakPolarHBondContact O-CB 3.44Å; I1129-K1133 VanDerWaalsContact O-CG 3.25Å; I1129-K1133 WeakPolarHBondContact O-CG 3.31Å; I1129-K1133 PolarHBondContact O-N 2.82Å; E1130-K1133 PolarHBondContact O-N 3.2Å; L1131-K1133 VanDerWaalsContact C-N 3.25Å; L1131-K1133 PolarHBondContact O-N 3.18Å
1134S84.5Confident83.6Confident87 Ų8756.9 Ų56.961%0.60830%0.302SS*.Hα-helixtrans-84.7-33.7-177.948.90000113.1E1130 L1131 G1136E1130-S1134 WeakPolarHBondContact O-CB 3.36Å; E1130-S1134 PolarHBondContact O-N 2.97Å; E1130-S1134 PolarHBondContact O-OG 3.33Å; L1131-S1134 WeakPolarHBondContact CA-OG 3.21Å; L1131-S1134 PolarHBondContact O-N 3.13Å; L1131-S1134 PolarHBondContact O-OG 3.2Å; S1134-G1136 PolarHBondContact O-N 2.97Å
1135C77.3Confident83.7Confident12 Ų1255.3 Ų55.38%0.08130%0.295CS..SBendtrans-69129.6-179.7-73.80000113L1131 E1139 R1140L1131-C1135 WeakPolarHBondContact O-CB 3.41Å; L1131-C1135 PolarHBondContact O-N 3.4Å; L1131-C1135 PolarHBondContact O-SG 3.48Å; L1131-C1135 VanDerWaalsContact O-SG 3.35Å; C1135-E1139 WeakPolarHBondContact CA-OE2 3.43Å; C1135-E1139 HydrophobicContact CB-CB 3.99Å; C1135-R1140 HydrophobicContact CB-CG 3.64Å; C1135-R1140 PolarHBondContact O-NE 2.74Å; C1135-R1140 PolarHBondContact O-NH2 2.86Å; C1135-R1140 VanDerWaalsContact O-NH2 3.13Å
1136G78Confident83.7Confident26 Ų2652 Ų5227%0.26828%0.28SS..  trans-63.5163.7167.100000112.4S1134 T1138 E1139 R1140S1134-G1136 PolarHBondContact O-N 2.97Å; G1136-T1138 VanDerWaalsContact C-N 3.26Å; G1136-T1138 PolarHBondContact O-N 3.35Å; G1136-E1139 PolarHBondContact N-OE2 3.46Å; G1136-E1139 PolarHBondContact O-N 3.5Å; G1136-E1139 VanDerWaalsContact O-N 3.09Å; G1136-R1140 PolarHBondContact O-N 2.92Å; G1136-R1140 VanDerWaalsContact O-N 3.08Å
1137P75.7Confident83.8Confident94 Ų9450 Ų5061%0.6127%0.267SS*.THydrogen-bonded Turntrans-55.5-37.3-177.6-27.535.9000114.2
1138T75.4Confident83.8Confident76 Ų7648 Ų4847%0.46625%0.252SS..THydrogen-bonded Turntrans-69.3-44.5175.8-460000111.8A832 G1136 R1140 Q1141A832-T1138 HydrophobicContact CB-CG2 4.17Å; A832-T1138 WeakPolarHBondContact CB-O 3.36Å; G1136-T1138 VanDerWaalsContact C-N 3.26Å; G1136-T1138 PolarHBondContact O-N 3.35Å; T1138-R1140 VanDerWaalsContact C-N 3.3Å; T1138-R1140 PolarHBondContact O-N 3.4Å; T1138-Q1141 VanDerWaalsContact O-CB 3.28Å; T1138-Q1141 WeakPolarHBondContact O-CB 3.41Å; T1138-Q1141 PolarHBondContact O-N 2.97Å; T1138-Q1141 VanDerWaalsContact O-N 3.1Å
1139E77.3Confident83.7Confident112 Ų11248.7 Ų48.752%0.52326%0.255SS..G310 helixtrans-64.7-34.7-177.8-62.7173.5148.800112C1135 G1136 Q1141 A1142 Y1143C1135-E1139 WeakPolarHBondContact CA-OE2 3.43Å; C1135-E1139 HydrophobicContact CB-CB 3.99Å; G1136-E1139 PolarHBondContact N-OE2 3.46Å; G1136-E1139 PolarHBondContact O-N 3.5Å; G1136-E1139 VanDerWaalsContact O-N 3.09Å; E1139-Q1141 PolarHBondContact O-N 3.38Å; E1139-Q1141 VanDerWaalsContact O-N 3.16Å; E1139-A1142 WeakPolarHBondContact O-CB 3.16Å; E1139-A1142 PolarHBondContact O-N 3.22Å; E1139-A1142 VanDerWaalsContact O-N 3.08Å; E1139-Y1143 WeakPolarHBondContact O-CD2 3.15Å
1140R82.5Confident83.6Confident46 Ų4650.9 Ų50.917%0.17426%0.264CS..G310 helixtrans-59.6-24.8175-70.5-177.7-132.7152.72.1113.3F1087 C1135 G1136 T1138 A1142 Y1143F1087-R1140 HydrophobicContact CB-CB 3.9Å; F1087-R1140 HydrophobicContact CD2-CB 4.2Å; F1087-R1140 VanDerWaalsContact CD2-O 3.27Å; F1087-R1140 WeakPolarHBondContact CD2-O 3.4Å; F1087-R1140 HydrophobicContact CG-CB 4Å; C1135-R1140 HydrophobicContact CB-CG 3.64Å; C1135-R1140 PolarHBondContact O-NE 2.74Å; C1135-R1140 PolarHBondContact O-NH2 2.86Å; C1135-R1140 VanDerWaalsContact O-NH2 3.13Å; G1136-R1140 PolarHBondContact O-N 2.92Å; G1136-R1140 VanDerWaalsContact O-N 3.08Å; T1138-R1140 VanDerWaalsContact C-N 3.3Å; T1138-R1140 PolarHBondContact O-N 3.4Å; R1140-A1142 PolarHBondContact O-N 3.27Å; R1140-Y1143 PolarHBondContact O-N 3.43Å; R1140-Y1143 VanDerWaalsContact O-N 3.13Å
1141Q80.2Confident83.5Confident29 Ų2946 Ų4614%0.13624%0.243CC..G310 helixtrans-65.8-18.4177.9-60.8176-11.500112.7D828 A832 F1087 T1138 E1139 Y1143D828-Q1141 PolarHBondContact O-OE1 2.89Å; A832-Q1141 HydrophobicContact CB-CB 4.1Å; F1087-Q1141 WeakPolarHBondContact O-CG 3.27Å; T1138-Q1141 VanDerWaalsContact O-CB 3.28Å; T1138-Q1141 WeakPolarHBondContact O-CB 3.41Å; T1138-Q1141 PolarHBondContact O-N 2.97Å; T1138-Q1141 VanDerWaalsContact O-N 3.1Å; E1139-Q1141 PolarHBondContact O-N 3.38Å; E1139-Q1141 VanDerWaalsContact O-N 3.16Å; Q1141-Y1143 PolarHBondContact O-N 3.28Å
1142A78.8Confident83.4Confident19 Ų1946.3 Ų46.316%0.15725%0.247CC..G310 helixtrans-76.86.317400000114.2L1115 E1139 R1140L1115-A1142 WeakPolarHBondContact CG-O 3.37Å; L1115-A1142 PolarHBondContact N-O 2.97Å; L1115-A1142 VanDerWaalsContact N-O 3.12Å; E1139-A1142 WeakPolarHBondContact O-CB 3.16Å; E1139-A1142 PolarHBondContact O-N 3.22Å; E1139-A1142 VanDerWaalsContact O-N 3.08Å; R1140-A1142 PolarHBondContact O-N 3.27Å
1143Y84.9Confident83.5Confident42 Ų4249.1 Ų49.117%0.16527%0.265CS..EExtended strand (participates in β ladder)trans-132.9150.1-176.7-57.2-92000112.6L1112 K1113 P1114 F1123 L1131 E1139 R1140 Q1141L1112-Y1143 HydrophobicContact CD1-CG 4.42Å; L1112-Y1143 HydrophobicContact CD2-CD1 4.08Å; L1112-Y1143 HydrophobicContact CD2-CG 4.3Å; L1112-Y1143 HydrophobicContact CG-CD1 4.04Å; L1112-Y1143 HydrophobicContact CG-CG 4.28Å; K1113-Y1143 WeakPolarHBondContact O-CA 3.44Å; P1114-Y1143 HydrophobicContact CB-CD1 3.96Å; P1114-Y1143 HydrophobicContact CB-CE1 3.87Å; F1123-Y1143 HydrophobicContact CD2-CE1 4.27Å; F1123-Y1143 AromaticContact CE2-CE1 3.82Å; F1123-Y1143 HydrophobicContact CE2-CE1 3.82Å; L1131-Y1143 HydrophobicContact CD2-CD1 4.11Å; L1131-Y1143 HydrophobicContact CD2-CE1 3.42Å; L1131-Y1143 VanDerWaalsContact CD2-CE1 3.42Å; L1131-Y1143 HydrophobicContact CD2-CE2 4.33Å; E1139-Y1143 WeakPolarHBondContact O-CD2 3.15Å; R1140-Y1143 PolarHBondContact O-N 3.43Å; R1140-Y1143 VanDerWaalsContact O-N 3.13Å; Q1141-Y1143 PolarHBondContact O-N 3.28Å
1144I86.9Confident83.5Confident2 Ų245.3 Ų45.31%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-119.1124.4170.2-59-63.5000108.2K1052 K1053 Q1056 M1084 K1113 L1115K1052-I1144 HydrophobicContact CB-CG1 4.23Å; K1053-I1144 HydrophobicContact CB-CD1 4.34Å; K1053-I1144 HydrophobicContact CD-CD1 3.96Å; Q1056-I1144 HydrophobicContact CB-CD1 4.21Å; Q1056-I1144 HydrophobicContact CB-CG2 4.23Å; Q1056-I1144 HydrophobicContact CG-CD1 4.32Å; Q1056-I1144 HydrophobicContact CG-CG2 4.15Å; M1084-I1144 HydrophobicContact CB-CG2 4.11Å; M1084-I1144 HydrophobicContact CE-CG2 3.83Å; K1113-I1144 PolarHBondContact N-O 3.35Å; K1113-I1144 PolarHBondContact O-N 3.14Å; L1115-I1144 HydrophobicContact CD2-CG1 4.06Å
1145L88.9Confident83.7Confident0 Ų045.5 Ų45.50%025%0.247CC..EExtended strand (participates in β ladder)trans-83.2131.6170-171.677.7000108.7M1084 F1085 F1087 I1099 A1103 Y1110 L1112 M1128M1084-L1145 CarbonylContact C-O 3.55Å; M1084-L1145 WeakPolarHBondContact CA-O 3.3Å; F1085-L1145 HydrophobicContact CB-CB 4.41Å; F1085-L1145 HydrophobicContact CD2-CD2 4.36Å; F1085-L1145 PolarHBondContact N-O 3.23Å; F1085-L1145 PolarHBondContact O-N 3.36Å; F1087-L1145 HydrophobicContact CE2-CB 4.3Å; F1087-L1145 HydrophobicContact CZ-CB 4.04Å; I1099-L1145 HydrophobicContact CG2-CD2 3.53Å; A1103-L1145 HydrophobicContact CB-CD1 4.37Å; A1103-L1145 HydrophobicContact CB-CD2 3.84Å; Y1110-L1145 HydrophobicContact CD1-CD1 4.43Å; Y1110-L1145 HydrophobicContact CD1-CD2 3.82Å; Y1110-L1145 HydrophobicContact CD1-CG 3.97Å; Y1110-L1145 HydrophobicContact CE1-CD2 4.26Å; Y1110-L1145 HydrophobicContact CG-CD1 4.45Å; Y1110-L1145 HydrophobicContact CG-CD2 4.4Å; Y1110-L1145 HydrophobicContact CG-CG 4.48Å; L1112-L1145 HydrophobicContact CB-CD1 4.29Å; L1112-L1145 HydrophobicContact CD1-CB 4.2Å; L1112-L1145 HydrophobicContact CD1-CD1 4.09Å; M1128-L1145 HydrophobicContact SD-CD1 3.61Å
1146M88.9Confident84.2Confident6 Ų647.6 Ų47.63%0.0326%0.257CS..EExtended strand (participates in β ladder)trans-127.6140.5178-173.3-173.496.600109.4M1082 P1083 M1084 Y1110 V1111 R1148 I1149M1082-M1146 HydrophobicContact CB-CG 4.05Å; M1082-M1146 HydrophobicContact CB-SD 4.32Å; M1082-M1146 HydrophobicContact CG-CE 4.49Å; P1083-M1146 WeakPolarHBondContact O-CA 3.49Å; M1084-M1146 HydrophobicContact CG-CB 4.14Å; M1084-M1146 HydrophobicContact CG-CG 3.69Å; M1084-M1146 HydrophobicContact CG-SD 4.34Å; Y1110-M1146 CarbonylContact C-O 3.56Å; Y1110-M1146 WeakPolarHBondContact CA-O 3.38Å; V1111-M1146 HydrophobicContact CG1-CB 4.11Å; V1111-M1146 HydrophobicContact CG1-CE 4.03Å; V1111-M1146 PolarHBondContact N-O 2.91Å; V1111-M1146 PolarHBondContact O-N 3.46Å; M1146-R1148 PolarHBondContact O-N 3.23Å; M1146-I1149 HydrophobicContact CE-CD1 4.19Å; M1146-I1149 HydrophobicContact CE-CG1 4.16Å
1147E89.3Confident84.6Confident67 Ų6750.7 Ų50.731%0.31327%0.266SS..EExtended strand (participates in β ladder)trans-60.9133.9167.4-84.6179.1-144.100110.5M1082 P1083 F1085 D1109 Y1110 I1149M1082-E1147 HydrophobicContact CE-CB 3.55Å; M1082-E1147 WeakPolarHBondContact CE-O 3.17Å; P1083-E1147 HydrophobicContact CB-CB 4.43Å; P1083-E1147 HydrophobicContact CB-CG 4.16Å; P1083-E1147 WeakPolarHBondContact CB-OE1 3.49Å; P1083-E1147 HydrophobicContact CG-CG 4.42Å; P1083-E1147 WeakPolarHBondContact CG-OE1 3.16Å; P1083-E1147 PolarHBondContact O-N 3.12Å; P1083-E1147 VanDerWaalsContact O-N 3.09Å; F1085-E1147 HydrophobicContact CE2-CG 4.4Å; D1109-E1147 WeakPolarHBondContact O-CA 3.3Å; Y1110-E1147 HydrophobicContact CD1-CG 4.17Å; Y1110-E1147 HydrophobicContact CE1-CG 3.8Å; E1147-I1149 PolarHBondContact O-N 2.95Å
1148R88Confident84.7Confident65 Ų6546.6 Ų46.625%0.24524%0.239CC..PPolyproline II helixtrans-71.1125.2-174.8-171.7-177.9-179.31576.1110.2N1108 D1109 M1146 K1150 N1205N1108-R1148 WeakPolarHBondContact O-CD 3.45Å; D1109-R1148 WeakPolarHBondContact O-CB 3.39Å; D1109-R1148 PolarHBondContact O-N 3.19Å; M1146-R1148 PolarHBondContact O-N 3.23Å; R1148-K1150 PolarHBondContact O-N 2.78Å; R1148-N1205 PolarHBondContact NH2-OD1 2.91Å
1149I87.8Confident84.9Confident13 Ų1348.4 Ų48.47%0.06725%0.249CC..PPolyproline II helixtrans-65.3133.8170.9-61.4166.9000109.2M866 F867 H868 K881 V883 M1082 M1146 E1147 P1151M866-I1149 HydrophobicContact CB-CD1 4.32Å; M866-I1149 HydrophobicContact CB-CG2 3.79Å; M866-I1149 HydrophobicContact SD-CG2 4.43Å; F867-I1149 WeakPolarHBondContact O-CG2 3.36Å; H868-I1149 HydrophobicContact CB-CG2 4.02Å; K881-I1149 HydrophobicContact CB-CD1 3.94Å; K881-I1149 HydrophobicContact CB-CG1 4.09Å; V883-I1149 HydrophobicContact CG2-CD1 4.03Å; M1082-I1149 HydrophobicContact CE-CG1 4.38Å; M1082-I1149 HydrophobicContact CG-CD1 4.06Å; M1082-I1149 HydrophobicContact CG-CG1 3.58Å; M1082-I1149 HydrophobicContact SD-CG1 3.95Å; M1146-I1149 HydrophobicContact CE-CD1 4.19Å; M1146-I1149 HydrophobicContact CE-CG1 4.16Å; E1147-I1149 PolarHBondContact O-N 2.95Å; I1149-P1151 WeakPolarHBondContact O-CD 3.34Å
1150K87.5Confident84.7Confident64 Ų6446 Ų4628%0.27824%0.237SC..  trans-107.984.1-178.4-61.4-170.1176.4-168.70110.3H868 K869 D1109 R1148H868-K1150 WeakPolarHBondContact CA-O 3.43Å; H868-K1150 PolarHBondContact ND1-N 2.82Å; K869-K1150 PolarHBondContact N-O 2.9Å; D1109-K1150 WeakPolarHBondContact OD1-CE 3.24Å; D1109-K1150 IonicContact OD1-NZ 3.36Å; D1109-K1150 PolarHBondContact OD1-NZ 2.8Å; D1109-K1150 IonicContact OD2-NZ 2.78Å; D1109-K1150 PolarHBondContact OD2-NZ 3.2Å; R1148-K1150 PolarHBondContact O-N 2.78Å
1151P86.4Confident84.3Confident22 Ų2254.4 Ų54.414%0.14327%0.269CS..PPolyproline II helixtrans-70.7160-174.230.2-37.7000113.8M866 F867 K869 I1149 V1153 N1171M866-P1151 HydrophobicContact CE-CB 4.01Å; M866-P1151 HydrophobicContact CE-CG 3.81Å; F867-P1151 VanDerWaalsContact O-CA 3.27Å; F867-P1151 WeakPolarHBondContact O-CA 3.3Å; K869-P1151 WeakPolarHBondContact CE-O 3.33Å; I1149-P1151 WeakPolarHBondContact O-CD 3.34Å; P1151-V1153 PolarHBondContact O-N 3.45Å; P1151-N1171 HydrophobicContact CB-CB 3.9Å; P1151-N1171 HydrophobicContact CG-CB 3.63Å
1152P84.5Confident84.2Confident36 Ų3660.4 Ų60.423%0.23430%0.302CS..PPolyproline II helixtrans-66.2126160.829.5-32000110.1F867 L878F867-P1152 HydrophobicContact CB-CG 3.87Å; L878-P1152 HydrophobicContact CD1-CB 4.45Å; L878-P1152 HydrophobicContact CD1-CG 4.19Å; L878-P1152 HydrophobicContact CD2-CB 4.2Å; L878-P1152 HydrophobicContact CD2-CG 4.06Å
1153V86.3Confident84.1Confident68 Ų6863 Ų6341%0.41232%0.316SS..PPolyproline II helixtrans-77.9129.5169.2-171.80000107.7P1151 A1169 C1170 D1202P1151-V1153 PolarHBondContact O-N 3.45Å; V1153-A1169 HydrophobicContact CG1-CB 3.8Å; V1153-C1170 WeakPolarHBondContact CA-O 3.4Å; V1153-D1202 HydrophobicContact CG1-CB 4.18Å; V1153-D1202 WeakPolarHBondContact CG2-OD2 3.39Å
1154H84.6Confident83.9Confident65 Ų6567.7 Ų67.730%0.30134%0.34SS..EExtended strand (participates in β ladder)trans-128172.2171.765.6-78.1000108.8C1170 S1172H1154-C1170 PolarHBondContact CE1-O 3.39Å; H1154-C1170 PolarHBondContact N-O 3.3Å; H1154-C1170 PolarHBondContact ND1-O 2.71Å; H1154-C1170 VanDerWaalsContact ND1-O 3.15Å; H1154-C1170 PolarHBondContact O-N 2.77Å; H1154-S1172 PolarHBondContact CE1-OG 3.11Å
1155T88.6Confident83.8Confident92 Ų9270.7 Ų70.756%0.56436%0.361SS*.EExtended strand (participates in β ladder)trans-109.6128.8179.455.60000111.6L1167 Q1168T1155-L1167 HydrophobicContact CG2-CD2 4.48Å; T1155-L1167 HydrophobicContact CG2-CG 4.47Å; T1155-Q1168 VanDerWaalsContact CA-O 3.23Å; T1155-Q1168 WeakPolarHBondContact CA-O 3.47Å
1156N86.8Confident83.6Confident56 Ų5675.9 Ų75.930%0.29938%0.383SS..EExtended strand (participates in β ladder)trans-141.2166.2174.7-154.8-7.7000111.1Q1168 D1217N1156-Q1168 PolarHBondContact N-O 2.95Å; N1156-Q1168 VanDerWaalsContact N-O 3.11Å; N1156-Q1168 PolarHBondContact O-N 2.62Å; N1156-D1217 PolarHBondContact ND2-OD2 3.04Å; N1156-D1217 VanDerWaalsContact ND2-OD2 3.16Å
1157I86.6Confident83.5Confident91 Ų9180.9 Ų80.947%0.46741%0.41SS..EExtended strand (participates in β ladder)trans-99.3116.1-179.2-59.6176.4000109.5K1166 L1167I1157-K1166 WeakPolarHBondContact CA-O 3.4Å; I1157-L1167 HydrophobicContact CG1-CB 4.48Å; I1157-L1167 HydrophobicContact CG1-CD1 4.02Å
1158F79.4Confident83.5Confident7 Ų781.3 Ų81.33%0.03141%0.412CS..  trans-85.1124.8177-90.2-115.1000111.3K1160 C1170 T1199 L1201 C1215F1158-K1160 VanDerWaalsContact CD1-CE 3.48Å; F1158-C1170 HydrophobicContact CE2-CB 4.25Å; F1158-C1170 WeakPolarHBondContact CE2-SG 3.47Å; F1158-T1199 HydrophobicContact CE2-CG2 3.92Å; F1158-T1199 HydrophobicContact CZ-CG2 3.98Å; F1158-T1199 VanDerWaalsContact CZ-O 3.3Å; F1158-T1199 WeakPolarHBondContact CZ-O 3.34Å; F1158-L1201 HydrophobicContact CD1-CD2 4.22Å; F1158-L1201 HydrophobicContact CD1-CG 4.42Å; F1158-L1201 HydrophobicContact CD2-CD2 3.77Å; F1158-L1201 HydrophobicContact CE1-CD2 4.3Å; F1158-L1201 HydrophobicContact CE1-CG 4.28Å; F1158-L1201 HydrophobicContact CE2-CD2 3.93Å; F1158-L1201 HydrophobicContact CG-CD2 3.93Å; F1158-L1201 HydrophobicContact CZ-CD2 4.16Å; F1158-L1201 HydrophobicContact CZ-CG 4.39Å; F1158-C1215 HydrophobicContact CD1-CB 4.39Å; F1158-C1215 WeakPolarHBondContact CD1-SG 3.35Å; F1158-C1215 HydrophobicContact CE1-CB 4.07Å
1159V79.2Confident83.6Confident114 Ų11480.7 Ų80.769%0.69142%0.42SS*.  trans-10590.4175.5-175.50000108.6
1160K72.4Confident83.7Confident61 Ų6180 Ų8027%0.26542%0.417SS..  trans-108.2157.1172-48.8-174.6-174.2-172.60110.4F1158 N1162 T1163 G1212F1158-K1160 VanDerWaalsContact CD1-CE 3.48Å; K1160-N1162 PolarHBondContact O-N 3.2Å; K1160-T1163 HydrophobicContact CB-CG2 4.39Å; K1160-T1163 WeakPolarHBondContact CB-OG1 3.25Å; K1160-T1163 PolarHBondContact O-OG1 3.47Å; K1160-T1163 VanDerWaalsContact O-OG1 3.11Å; K1160-G1212 WeakPolarHBondContact CE-O 3.42Å; K1160-G1212 PolarHBondContact NZ-O 3.44Å
1161R74.9Confident83.7Confident224 Ų22477.4 Ų77.485%0.84541%0.406SS*.THydrogen-bonded Turntrans-63132.3178.1-178.9177.9-178.8-173.61.7109.9T1163R1161-T1163 PolarHBondContact O-N 3.22Å
1162N78.2Confident83.7Confident154 Ų15477.6 Ų77.682%0.82441%0.407SS*.THydrogen-bonded Turntrans61.619.1176.8-53.9-6.7000115.7K1160K1160-N1162 PolarHBondContact O-N 3.2Å
1163T75.3Confident83.8Confident74 Ų7476.5 Ų76.545%0.45440%0.399SS..SBendtrans-117.2138.8173.859.10000111K1160 R1161 S1165K1160-T1163 HydrophobicContact CB-CG2 4.39Å; K1160-T1163 WeakPolarHBondContact CB-OG1 3.25Å; K1160-T1163 PolarHBondContact O-OG1 3.47Å; K1160-T1163 VanDerWaalsContact O-OG1 3.11Å; R1161-T1163 PolarHBondContact O-N 3.22Å; T1163-S1165 PolarHBondContact O-N 3.32Å
1164E82.1Confident83.8Confident141 Ų14175.2 Ų75.266%0.65939%0.39SS*.  trans-63.3126.4174.2-162.1-170.815100110.8K1166E1164-K1166 VanDerWaalsContact CD-NZ 3.26Å; E1164-K1166 PolarHBondContact O-N 2.84Å; E1164-K1166 VanDerWaalsContact O-N 3.09Å; E1164-K1166 WeakPolarHBondContact OE1-CE 3.39Å; E1164-K1166 IonicContact OE1-NZ 3.9Å; E1164-K1166 PolarHBondContact OE1-NZ 3.46Å; E1164-K1166 WeakPolarHBondContact OE2-CE 3.48Å; E1164-K1166 IonicContact OE2-NZ 3.77Å; E1164-K1166 PolarHBondContact OE2-NZ 3.33Å
1165S84.1Confident83.9Confident65 Ų6572.1 Ų72.146%0.45538%0.376SS..  trans-75.899.2-176.8-55.50000111.2T1163T1163-S1165 PolarHBondContact O-N 3.32Å
1166K84.9Confident83.8Confident109 Ų10970 Ų7047%0.47436%0.362SS..  trans-111.6156.9178.4-70.4178.7179.4158.60111.5I1157 E1164 Q1168I1157-K1166 WeakPolarHBondContact CA-O 3.4Å; E1164-K1166 VanDerWaalsContact CD-NZ 3.26Å; E1164-K1166 PolarHBondContact O-N 2.84Å; E1164-K1166 VanDerWaalsContact O-N 3.09Å; E1164-K1166 WeakPolarHBondContact OE1-CE 3.39Å; E1164-K1166 IonicContact OE1-NZ 3.9Å; E1164-K1166 PolarHBondContact OE1-NZ 3.46Å; E1164-K1166 WeakPolarHBondContact OE2-CE 3.48Å; E1164-K1166 IonicContact OE2-NZ 3.77Å; E1164-K1166 PolarHBondContact OE2-NZ 3.33Å; K1166-Q1168 PolarHBondContact O-N 2.89Å
1167L87.2Confident83.8Confident111 Ų11167.5 Ų67.558%0.58135%0.349SS*.EExtended strand (participates in β ladder)trans-70.9123.5168-170.171.4000108.5T1155 I1157T1155-L1167 HydrophobicContact CG2-CD2 4.48Å; T1155-L1167 HydrophobicContact CG2-CG 4.47Å; I1157-L1167 HydrophobicContact CG1-CB 4.48Å; I1157-L1167 HydrophobicContact CG1-CD1 4.02Å
1168Q89.1Confident83.6Confident76 Ų7663.6 Ų63.636%0.35533%0.331SS..EExtended strand (participates in β ladder)trans-129.9160.1-176.9-63.3-175.2-98.400111T1155 N1156 K1166 C1170 L1201T1155-Q1168 VanDerWaalsContact CA-O 3.23Å; T1155-Q1168 WeakPolarHBondContact CA-O 3.47Å; N1156-Q1168 PolarHBondContact N-O 2.95Å; N1156-Q1168 VanDerWaalsContact N-O 3.11Å; N1156-Q1168 PolarHBondContact O-N 2.62Å; K1166-Q1168 PolarHBondContact O-N 2.89Å; Q1168-C1170 PolarHBondContact O-SG 2.98Å; Q1168-L1201 HydrophobicContact CB-CD2 3.69Å; Q1168-L1201 HydrophobicContact CG-CD2 4.29Å
1169A90.8Very high84Confident51 Ų5163.5 Ų63.542%0.42133%0.331SS..EExtended strand (participates in β ladder)trans-75.2131.3172.100000110.5V1153 D1202V1153-A1169 HydrophobicContact CG1-CB 3.8Å; A1169-D1202 HydrophobicContact CB-CB 4.13Å; A1169-D1202 PolarHBondContact O-N 3.26Å
1170C89.1Confident84.4Confident0 Ų058.7 Ų58.70%030%0.302CS..EExtended strand (participates in β ladder)trans-143.6157.2-166.2-54.60000111.8V1153 H1154 F1158 Q1168 T1199 K1200V1153-C1170 WeakPolarHBondContact CA-O 3.4Å; H1154-C1170 PolarHBondContact CE1-O 3.39Å; H1154-C1170 PolarHBondContact N-O 3.3Å; H1154-C1170 PolarHBondContact ND1-O 2.71Å; H1154-C1170 VanDerWaalsContact ND1-O 3.15Å; H1154-C1170 PolarHBondContact O-N 2.77Å; F1158-C1170 HydrophobicContact CE2-CB 4.25Å; F1158-C1170 WeakPolarHBondContact CE2-SG 3.47Å; Q1168-C1170 PolarHBondContact O-SG 2.98Å; C1170-T1199 HydrophobicContact CB-CG2 3.72Å; C1170-K1200 CarbonylContact C-O 3.6Å; C1170-K1200 VanDerWaalsContact CA-O 3.23Å; C1170-K1200 WeakPolarHBondContact CA-O 3.42Å; C1170-K1200 WeakPolarHBondContact CB-O 3.25Å
1171N86.3Confident85.2Confident8 Ų856 Ų564%0.04329%0.29CS..EExtended strand (participates in β ladder)trans-137157.2166.262.164.1000110.6M866 P1151 T1199 K1200 D1202M866-N1171 WeakPolarHBondContact CE-OD1 3.43Å; P1151-N1171 HydrophobicContact CB-CB 3.9Å; P1151-N1171 HydrophobicContact CG-CB 3.63Å; N1171-T1199 WeakPolarHBondContact O-CA 3.44Å; N1171-K1200 PolarHBondContact N-O 3.13Å; N1171-K1200 PolarHBondContact O-N 2.98Å; N1171-K1200 WeakPolarHBondContact OD1-CE 3.43Å; N1171-K1200 VanDerWaalsContact OD1-CG 3.3Å; N1171-K1200 WeakPolarHBondContact OD1-CG 3.09Å; N1171-D1202 PolarHBondContact ND2-OD1 2.65Å
1172S87Confident85.7Confident26 Ų2645.3 Ų45.318%0.18225%0.25CC..EExtended strand (participates in β ladder)trans-126.3147.9-170.5-53.90000113.9H1154 R1198 T1199H1154-S1172 PolarHBondContact CE1-OG 3.11Å; S1172-R1198 CarbonylContact C-O 3.52Å; S1172-R1198 WeakPolarHBondContact CA-O 3.46Å; S1172-R1198 WeakPolarHBondContact CB-O 3.48Å; S1172-T1199 PolarHBondContact OG-OG1 3.11Å
1173E86.4Confident86Confident13 Ų1338.7 Ų38.76%0.06121%0.214CC..EExtended strand (participates in β ladder)trans-120116-179.4-60.6175-172.800109Y865 M866 R1198 K1200Y865-E1173 CarbonylContact O-C 3.57Å; Y865-E1173 WeakPolarHBondContact O-CA 3.17Å; M866-E1173 HydrophobicContact CE-CG 3.87Å; M866-E1173 HydrophobicContact CG-CB 4.29Å; M866-E1173 HydrophobicContact CG-CG 3.7Å; M866-E1173 HydrophobicContact SD-CG 3.85Å; E1173-R1198 HydrophobicContact CB-CB 4.41Å; E1173-R1198 PolarHBondContact N-O 3.38Å; E1173-R1198 PolarHBondContact O-N 3.26Å; E1173-R1198 IonicContact OE2-CZ 2.73Å; E1173-R1198 IonicContact OE2-NE 2.71Å; E1173-R1198 IonicContact OE2-NH1 2.84Å; E1173-R1198 IonicContact OE2-NH2 2.65Å; E1173-K1200 WeakPolarHBondContact OE1-CE 3.34Å; E1173-K1200 IonicContact OE1-NZ 2.67Å; E1173-K1200 PolarHBondContact OE1-NZ 3.4Å
1174L86.9Confident86.1Confident42 Ų4235.4 Ų35.422%0.2219%0.194CC..EExtended strand (participates in β ladder)trans-95.2104-178-178.873.2000110.5Y865 V1176 F1195 L1197Y865-L1174 PolarHBondContact N-O 3.5Å; Y865-L1174 PolarHBondContact O-N 3.45Å; L1174-V1176 HydrophobicContact CD2-CG2 4.45Å; L1174-V1176 HydrophobicContact CG-CG2 4.36Å; L1174-F1195 HydrophobicContact CD1-CB 3.65Å; L1174-F1195 HydrophobicContact CD1-CG 4.33Å; L1174-L1197 HydrophobicContact CB-CD1 4.05Å; L1174-L1197 HydrophobicContact CD1-CD1 4Å
1175G86.2Confident85.3Confident0 Ų029.9 Ų29.90%017%0.167CC..EExtended strand (participates in β ladder)trans-85.5125.4171.300000112.1A863 D864 F1195 M1196A863-G1175 CarbonylContact O-C 3.59Å; A863-G1175 WeakPolarHBondContact O-CA 3.19Å; D864-G1175 WeakPolarHBondContact OD1-CA 3.28Å; G1175-F1195 CarbonylContact O-C 3.59Å; G1175-F1195 WeakPolarHBondContact O-CA 3.33Å; G1175-M1196 PolarHBondContact N-O 2.7Å; G1175-M1196 PolarHBondContact O-N 2.94Å
1176V86Confident84.5Confident46 Ų4631.4 Ų31.428%0.27917%0.166SC..EExtended strand (participates in β ladder)trans-109.5119.6176.9-177.60000109.5R862 A863 Y865 L1174R862-V1176 WeakPolarHBondContact CA-O 3.45Å; A863-V1176 PolarHBondContact N-O 3.08Å; A863-V1176 PolarHBondContact O-N 2.88Å; Y865-V1176 HydrophobicContact CD2-CG2 4.14Å; Y865-V1176 HydrophobicContact CE2-CB 4.31Å; Y865-V1176 HydrophobicContact CE2-CG2 4.1Å; L1174-V1176 HydrophobicContact CD2-CG2 4.45Å; L1174-V1176 HydrophobicContact CG-CG2 4.36Å
1177F86.9Confident84Confident4 Ų428 Ų282%0.01815%0.152CC..EExtended strand (participates in β ladder)trans-77.9154.1177.7-76.8-87.5000112.3Q861 R862 A890 G891 A893 V930 G1193 T1194 M1196Q861-F1177 CarbonylContact O-C 3.56Å; Q861-F1177 VanDerWaalsContact O-CA 3.31Å; Q861-F1177 WeakPolarHBondContact O-CA 3.4Å; R862-F1177 HydrophobicContact CB-CD1 4.09Å; R862-F1177 HydrophobicContact CB-CE1 3.96Å; R862-F1177 HydrophobicContact CB-CZ 4.3Å; R862-F1177 HydrophobicContact CG-CD1 4.27Å; R862-F1177 HydrophobicContact CG-CD2 4.17Å; R862-F1177 HydrophobicContact CG-CE1 4.1Å; R862-F1177 HydrophobicContact CG-CE2 4Å; R862-F1177 HydrophobicContact CG-CG 4.32Å; R862-F1177 HydrophobicContact CG-CZ 3.96Å; A890-F1177 HydrophobicContact CB-CE1 4.16Å; G891-F1177 WeakPolarHBondContact O-CZ 3.41Å; A893-F1177 HydrophobicContact CB-CD1 4.44Å; A893-F1177 HydrophobicContact CB-CE1 3.79Å; A893-F1177 HydrophobicContact CB-CE2 4.08Å; A893-F1177 HydrophobicContact CB-CZ 3.58Å; V930-F1177 HydrophobicContact CG2-CD1 4.34Å; V930-F1177 HydrophobicContact CG2-CE1 4.47Å; F1177-G1193 WeakPolarHBondContact O-CA 3.27Å; F1177-G1193 PolarHBondContact O-N 2.97Å; F1177-T1194 PolarHBondContact N-O 3.04Å; F1177-M1196 HydrophobicContact CE2-CB 3.9Å
1178G83.6Confident83.5Confident10 Ų1026.9 Ų26.910%0.10314%0.143CC..EExtended strand (participates in β ladder)trans-150146.4167.500000110.9I860 Q861I860-G1178 WeakPolarHBondContact CA-O 3.33Å; Q861-G1178 PolarHBondContact N-O 2.72Å; Q861-G1178 PolarHBondContact O-N 3.22Å
1179C86.5Confident82.6Confident4 Ų425 Ų253%0.02714%0.135CC..EExtended strand (participates in β ladder)trans-120.3135.8175.7174.60000109.7N859 V929 G933 Q1190 R1191N859-C1179 CarbonylContact O-C 3.59Å; N859-C1179 WeakPolarHBondContact O-CA 3.42Å; V929-C1179 HydrophobicContact CG1-CB 3.9Å; G933-C1179 WeakPolarHBondContact CA-SG 3.34Å; C1179-Q1190 WeakPolarHBondContact O-CA 3.35Å; C1179-R1191 HydrophobicContact CB-CB 4.33Å; C1179-R1191 PolarHBondContact N-O 2.92Å; C1179-R1191 PolarHBondContact O-N 2.6Å
1180L87.8Confident81.8Confident13 Ų1324.8 Ų24.87%0.06813%0.125CC..EExtended strand (participates in β ladder)trans-145.7122.3176-170.5166.2000109.5Y813 N859 I1187 D1189 Q1190Y813-L1180 HydrophobicContact CD2-CD1 4.48Å; Y813-L1180 HydrophobicContact CD2-CD2 3.36Å; Y813-L1180 HydrophobicContact CE2-CD2 3.81Å; Y813-L1180 HydrophobicContact CG-CD1 4.16Å; Y813-L1180 HydrophobicContact CG-CD2 3.86Å; N859-L1180 HydrophobicContact CB-CB 4.45Å; N859-L1180 PolarHBondContact N-O 3.39Å; N859-L1180 PolarHBondContact O-N 2.91Å; L1180-I1187 HydrophobicContact CD1-CD1 4.04Å; L1180-I1187 HydrophobicContact CD2-CD1 4.35Å; L1180-I1187 HydrophobicContact CD2-CG1 4.07Å; L1180-I1187 HydrophobicContact CD2-CG2 3.97Å; L1180-I1187 HydrophobicContact CG-CD1 4.4Å; L1180-I1187 HydrophobicContact CG-CG2 3.99Å; L1180-D1189 WeakPolarHBondContact CA-O 3.5Å; L1180-Q1190 HydrophobicContact CG-CG 4.48Å
1181L89.4Confident80.8Confident4 Ų428.7 Ų28.72%0.02114%0.14CC..EExtended strand (participates in β ladder)trans-112.2129.4177.7-178.769000109.3I856 F857 L858 E936 A937 A940 I1039 F1188 D1189I856-L1181 HydrophobicContact CG2-CD1 3.77Å; I856-L1181 HydrophobicContact CG2-CG 4.33Å; F857-L1181 WeakPolarHBondContact O-CA 3.42Å; L858-L1181 HydrophobicContact CB-CD1 4.06Å; L858-L1181 HydrophobicContact CD1-CB 4.2Å; L858-L1181 HydrophobicContact CD1-CD1 4.22Å; E936-L1181 HydrophobicContact CB-CD2 3.87Å; E936-L1181 WeakPolarHBondContact O-CD2 3.31Å; A937-L1181 HydrophobicContact CB-CD1 3.85Å; A940-L1181 HydrophobicContact CB-CD2 4Å; I1039-L1181 HydrophobicContact CG2-CD1 4.46Å; L1181-F1188 HydrophobicContact CG-CD2 4.32Å; L1181-F1188 PolarHBondContact O-N 2.96Å; L1181-D1189 HydrophobicContact CB-CB 4.26Å; L1181-D1189 PolarHBondContact N-O 3.02Å; L1181-D1189 PolarHBondContact O-N 3.47Å
1182G86.2Confident79.8Confident0 Ų031.5 Ų31.50%015%0.154CC..EExtended strand (participates in β ladder)trans-178163.4-179.100000112.4F857 K1186F857-G1182 WeakPolarHBondContact CA-O 3.5Å; F857-G1182 PolarHBondContact N-O 3.45Å; F857-G1182 PolarHBondContact O-N 3.07Å; G1182-K1186 WeakPolarHBondContact CA-O 3.47Å
1183N84.5Confident78.3Confident15 Ų1530.3 Ų30.38%0.0815%0.146CC..  trans-94.5-162.9168.258.85.5000110.8Y813 E853 E854 R855 I856 R1185 K1186 F1188Y813-N1183 VanDerWaalsContact CE2-O 3.32Å; Y813-N1183 WeakPolarHBondContact CE2-O 3.19Å; Y813-N1183 VanDerWaalsContact CZ-O 3.23Å; Y813-N1183 PolarHBondContact OH-O 3.33Å; E853-N1183 WeakPolarHBondContact O-CB 3.23Å; E854-N1183 WeakPolarHBondContact O-CB 3.41Å; E854-N1183 PolarHBondContact O-ND2 2.94Å; R855-N1183 WeakPolarHBondContact O-CA 3.35Å; R855-N1183 WeakPolarHBondContact O-CB 3.45Å; I856-N1183 HydrophobicContact CG1-CB 4.41Å; N1183-R1185 PolarHBondContact O-N 3.25Å; N1183-R1185 WeakPolarHBondContact OD1-CA 3.42Å; N1183-R1185 WeakPolarHBondContact OD1-CB 3.39Å; N1183-R1185 PolarHBondContact OD1-N 3.28Å; N1183-R1185 VanDerWaalsContact OD1-N 3.15Å; N1183-K1186 PolarHBondContact N-O 2.66Å; N1183-K1186 PolarHBondContact OD1-N 3.17Å; N1183-K1186 PolarHBondContact OD1-O 2.88Å; N1183-F1188 HydrophobicContact CB-CE2 4.33Å; N1183-F1188 HydrophobicContact CB-CZ 4.29Å
1184M76.7Confident77.5Confident6 Ų630 Ų303%0.0315%0.145CC..SBendtrans-63.8-7.3174.5-60.4-61.2-173.800113.6I817 M847 H852 E853 F857 W1043I817-M1184 HydrophobicContact CB-SD 3.43Å; I817-M1184 WeakPolarHBondContact CB-SD 3.38Å; I817-M1184 HydrophobicContact CG2-SD 3.21Å; I817-M1184 WeakPolarHBondContact CG2-SD 3.48Å; M847-M1184 HydrophobicContact CE-CE 3.96Å; M847-M1184 HydrophobicContact SD-CE 3.27Å; M847-M1184 WeakPolarHBondContact SD-CE 3.44Å; H852-M1184 VanDerWaalsContact O-CG 3.29Å; H852-M1184 WeakPolarHBondContact O-CG 3.5Å; E853-M1184 HydrophobicContact CB-CB 4.3Å; E853-M1184 HydrophobicContact CB-CG 4.45Å; E853-M1184 PolarHBondContact O-N 3.2Å; F857-M1184 HydrophobicContact CE2-CE 3.61Å; F857-M1184 HydrophobicContact CE2-CG 4.05Å; F857-M1184 HydrophobicContact CE2-SD 3.72Å; F857-M1184 HydrophobicContact CZ-CE 3.67Å; F857-M1184 HydrophobicContact CZ-SD 4.39Å; W1043-M1184 HydrophobicContact CH2-CE 3.56Å; W1043-M1184 HydrophobicContact CZ2-CE 3.85Å; W1043-M1184 HydrophobicContact CZ2-SD 4.48Å; W1043-M1184 HydrophobicContact CZ3-CE 4.26Å
1185R65.7Low77.1Confident25 Ų2529.2 Ų29.29%0.09414%0.14CC..SBendtrans-128.4-20-148.7-50.6172122.8-173.21.2114.5K733 S736 E853 E854 N1183K733-R1185 HydrophobicContact CB-CB 3.68Å; K733-R1185 HydrophobicContact CB-CG 3.85Å; K733-R1185 HydrophobicContact CD-CB 3.48Å; K733-R1185 VanDerWaalsContact CD-CB 3.48Å; K733-R1185 HydrophobicContact CD-CG 4.27Å; K733-R1185 WeakPolarHBondContact CD-O 3.29Å; K733-R1185 HydrophobicContact CG-CB 3.53Å; K733-R1185 HydrophobicContact CG-CG 3.77Å; K733-R1185 PolarHBondContact NZ-O 3.07Å; S736-R1185 PolarHBondContact OG-NH2 3.37Å; E853-R1185 HydrophobicContact CB-CG 3.88Å; E853-R1185 VanDerWaalsContact O-CD 3.23Å; E853-R1185 WeakPolarHBondContact O-CD 3.46Å; E853-R1185 VanDerWaalsContact O-CG 3.26Å; E853-R1185 WeakPolarHBondContact O-CG 3.37Å; E853-R1185 IonicContact OE2-CZ 3.33Å; E853-R1185 VanDerWaalsContact OE2-CZ 3.28Å; E853-R1185 IonicContact OE2-NE 2.71Å; E853-R1185 PolarHBondContact OE2-NE 3.19Å; E853-R1185 IonicContact OE2-NH2 3.45Å; E853-R1185 PolarHBondContact OE2-NH2 2.81Å; E854-R1185 IonicContact OE1-CZ 3.52Å; E854-R1185 IonicContact OE1-NH1 2.69Å; E854-R1185 PolarHBondContact OE1-NH1 3.44Å; N1183-R1185 PolarHBondContact O-N 3.25Å; N1183-R1185 WeakPolarHBondContact OD1-CA 3.42Å; N1183-R1185 WeakPolarHBondContact OD1-CB 3.39Å; N1183-R1185 PolarHBondContact OD1-N 3.28Å; N1183-R1185 VanDerWaalsContact OD1-N 3.15Å
1186K67.1Low77.1Confident97 Ų9729.2 Ų29.242%0.42214%0.14SC..  trans-167.5140.6-180173.1172.1178.5-178.10109.1Y813 G1182 N1183 F1188Y813-K1186 PolarHBondContact OH-N 2.84Å; Y813-K1186 PolarHBondContact OH-O 3.03Å; G1182-K1186 WeakPolarHBondContact CA-O 3.47Å; N1183-K1186 PolarHBondContact N-O 2.66Å; N1183-K1186 PolarHBondContact OD1-N 3.17Å; N1183-K1186 PolarHBondContact OD1-O 2.88Å; K1186-F1188 HydrophobicContact CB-CE1 4.16Å; K1186-F1188 HydrophobicContact CD-CD1 4.27Å; K1186-F1188 HydrophobicContact CD-CE1 4.21Å; K1186-F1188 HydrophobicContact CG-CD1 4.08Å; K1186-F1188 HydrophobicContact CG-CE1 4.11Å
1187I75.7Confident77.1Confident36 Ų3627.9 Ų27.919%0.18513%0.131CC..EExtended strand (participates in β ladder)trans-83.1125.1166.4-57.3175.6000107.8E810 Y813 L1180 D1189 Q1190E810-I1187 HydrophobicContact CB-CD1 4.21Å; E810-I1187 HydrophobicContact CG-CD1 3.52Å; Y813-I1187 HydrophobicContact CD1-CD1 3.9Å; Y813-I1187 HydrophobicContact CD1-CG1 3.97Å; Y813-I1187 HydrophobicContact CE1-CD1 3.86Å; Y813-I1187 HydrophobicContact CE1-CG1 3.47Å; Y813-I1187 VanDerWaalsContact CE1-CG1 3.47Å; Y813-I1187 HydrophobicContact CE2-CG1 4.17Å; Y813-I1187 HydrophobicContact CG-CD1 4.46Å; Y813-I1187 HydrophobicContact CG-CG1 4.47Å; L1180-I1187 HydrophobicContact CD1-CD1 4.04Å; L1180-I1187 HydrophobicContact CD2-CD1 4.35Å; L1180-I1187 HydrophobicContact CD2-CG1 4.07Å; L1180-I1187 HydrophobicContact CD2-CG2 3.97Å; L1180-I1187 HydrophobicContact CG-CD1 4.4Å; L1180-I1187 HydrophobicContact CG-CG2 3.99Å; I1187-D1189 WeakPolarHBondContact CG2-O 3.5Å; I1187-Q1190 HydrophobicContact CG2-CB 4.06Å
1188F74.9Confident77.1Confident89 Ų8928.9 Ų28.939%0.3914%0.135SC..EExtended strand (participates in β ladder)trans-90.6-43.4178.5-53.8-48.7000111.5I856 L1181 N1183 K1186I856-F1188 HydrophobicContact CB-CE2 4.38Å; I856-F1188 HydrophobicContact CD1-CE2 3.83Å; I856-F1188 HydrophobicContact CD1-CZ 4.47Å; I856-F1188 HydrophobicContact CG1-CE2 3.84Å; I856-F1188 HydrophobicContact CG2-CD2 4.08Å; I856-F1188 HydrophobicContact CG2-CE2 3.83Å; L1181-F1188 HydrophobicContact CG-CD2 4.32Å; L1181-F1188 PolarHBondContact O-N 2.96Å; N1183-F1188 HydrophobicContact CB-CE2 4.33Å; N1183-F1188 HydrophobicContact CB-CZ 4.29Å; K1186-F1188 HydrophobicContact CB-CE1 4.16Å; K1186-F1188 HydrophobicContact CD-CD1 4.27Å; K1186-F1188 HydrophobicContact CD-CE1 4.21Å; K1186-F1188 HydrophobicContact CG-CD1 4.08Å; K1186-F1188 HydrophobicContact CG-CE1 4.11Å
1189D71.9Confident77.3Confident35 Ų3528.5 Ų28.519%0.18713%0.131CC..EExtended strand (participates in β ladder)trans-142.5150.8176.4-172.220.4000111L1180 L1181 I1187 R1191L1180-D1189 WeakPolarHBondContact CA-O 3.5Å; L1181-D1189 HydrophobicContact CB-CB 4.26Å; L1181-D1189 PolarHBondContact N-O 3.02Å; L1181-D1189 PolarHBondContact O-N 3.47Å; I1187-D1189 WeakPolarHBondContact CG2-O 3.5Å; D1189-R1191 IonicContact OD1-NE 2.84Å; D1189-R1191 IonicContact OD1-NH2 2.71Å; D1189-R1191 IonicContact OD2-CZ 3.63Å; D1189-R1191 IonicContact OD2-NE 3.49Å; D1189-R1191 PolarHBondContact OD2-NE 2.9Å; D1189-R1191 IonicContact OD2-NH2 3.65Å; D1189-R1191 PolarHBondContact OD2-NH2 3.17Å
1190Q73.9Confident77.2Confident48 Ų4829.2 Ų29.222%0.22413%0.133CC..EExtended strand (participates in β ladder)trans-154.8117.5-176.5-175.4-17878.200110.1N809 C1179 L1180 I1187N809-Q1190 HydrophobicContact CB-CG 4.04Å; N809-Q1190 VanDerWaalsContact CB-NE2 3.3Å; N809-Q1190 VanDerWaalsContact CB-OE1 3.31Å; N809-Q1190 PolarHBondContact O-NE2 2.68Å; N809-Q1190 VanDerWaalsContact O-NE2 3.16Å; C1179-Q1190 WeakPolarHBondContact O-CA 3.35Å; L1180-Q1190 HydrophobicContact CG-CG 4.48Å; I1187-Q1190 HydrophobicContact CG2-CB 4.06Å
1191R67.9Low77.1Confident82 Ų8229.3 Ų29.331%0.30913%0.134SC..EExtended strand (participates in β ladder)trans-127.3121.7-177.1-52.8-171.4-168.7-135.92.8110E936 C1179 D1189 G1193E936-R1191 IonicContact OE1-NH2 3.52Å; E936-R1191 PolarHBondContact OE1-NH2 2.79Å; E936-R1191 VanDerWaalsContact OE1-NH2 3.08Å; C1179-R1191 HydrophobicContact CB-CB 4.33Å; C1179-R1191 PolarHBondContact N-O 2.92Å; C1179-R1191 PolarHBondContact O-N 2.6Å; D1189-R1191 IonicContact OD1-NE 2.84Å; D1189-R1191 IonicContact OD1-NH2 2.71Å; D1189-R1191 IonicContact OD2-CZ 3.63Å; D1189-R1191 IonicContact OD2-NE 3.49Å; D1189-R1191 PolarHBondContact OD2-NE 2.9Å; D1189-R1191 IonicContact OD2-NH2 3.65Å; D1189-R1191 PolarHBondContact OD2-NH2 3.17Å; R1191-G1193 PolarHBondContact O-N 3.49Å
1192I64.6Low76.8Confident67 Ų6732.1 Ų32.134%0.34415%0.148SC..EExtended strand (participates in β ladder)trans-71.6120.4166.8-55.1178000106.5Q774 N809Q774-I1192 HydrophobicContact CG-CD1 4.12Å; N809-I1192 WeakPolarHBondContact ND2-CD1 3.46Å; N809-I1192 WeakPolarHBondContact ND2-CG1 3.15Å
1193G56.1Low76.6Confident1 Ų136.8 Ų36.81%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-78.8-169.1-179.400000113.3R772 V929 F1177 R1191R772-G1193 PolarHBondContact NH1-O 3.26Å; V929-G1193 VanDerWaalsContact CG2-CA 3.47Å; F1177-G1193 WeakPolarHBondContact O-CA 3.27Å; F1177-G1193 PolarHBondContact O-N 2.97Å; R1191-G1193 PolarHBondContact O-N 3.49Å
1194T69.8Low76.3Confident5 Ų539.3 Ų39.33%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-103.6-170.1170.163.90000110N924 S925 S926 F1177N924-T1194 PolarHBondContact OD1-OG1 3.48Å; S925-T1194 PolarHBondContact N-OG1 3.28Å; S925-T1194 VanDerWaalsContact N-OG1 3.12Å; S925-T1194 WeakPolarHBondContact OG-CG2 3.34Å; S926-T1194 VanDerWaalsContact CA-OG1 3.27Å; S926-T1194 WeakPolarHBondContact CA-OG1 3.45Å; S926-T1194 VanDerWaalsContact CB-OG1 3.28Å; S926-T1194 WeakPolarHBondContact CB-OG1 3.41Å; S926-T1194 PolarHBondContact N-OG1 3.29Å; F1177-T1194 PolarHBondContact N-O 3.04Å
1195F78.4Confident76.2Confident27 Ų2741.3 Ų41.312%0.11820%0.203CC..EExtended strand (participates in β ladder)trans-97.3166.2-175.755.3-89.8000112.8P922 E923 N924 L1174 G1175 P1219P922-F1195 HydrophobicContact CB-CE1 3.95Å; P922-F1195 HydrophobicContact CB-CZ 4.17Å; P922-F1195 HydrophobicContact CG-CE1 3.68Å; P922-F1195 HydrophobicContact CG-CZ 3.63Å; E923-F1195 VanDerWaalsContact O-CE1 3.3Å; E923-F1195 WeakPolarHBondContact O-CE1 3.49Å; N924-F1195 HydrophobicContact CB-CE1 4.46Å; N924-F1195 HydrophobicContact CB-CE2 3.88Å; N924-F1195 HydrophobicContact CB-CZ 3.7Å; N924-F1195 PolarHBondContact ND2-O 3.32Å; N924-F1195 PolarHBondContact OD1-O 2.87Å; L1174-F1195 HydrophobicContact CD1-CB 3.65Å; L1174-F1195 HydrophobicContact CD1-CG 4.33Å; G1175-F1195 CarbonylContact O-C 3.59Å; G1175-F1195 WeakPolarHBondContact O-CA 3.33Å; F1195-P1219 HydrophobicContact CD2-CG 3.8Å; F1195-P1219 HydrophobicContact CE2-CG 3.65Å; F1195-P1219 HydrophobicContact CG-CG 4.34Å; F1195-P1219 HydrophobicContact CZ-CG 4.06Å
1196M85.9Confident76.3Confident0 Ų041.8 Ų41.80%021%0.207CC..EExtended strand (participates in β ladder)trans-140.7125.4160.7176.9-77.1-53.700105.9L892 G1175 F1177 R1198L892-M1196 HydrophobicContact CB-CE 4.12Å; L892-M1196 HydrophobicContact CB-CG 3.73Å; L892-M1196 HydrophobicContact CB-SD 3.91Å; L892-M1196 HydrophobicContact CD1-CE 3.92Å; L892-M1196 HydrophobicContact CD1-SD 3.75Å; L892-M1196 HydrophobicContact CG-SD 4.49Å; G1175-M1196 PolarHBondContact N-O 2.7Å; G1175-M1196 PolarHBondContact O-N 2.94Å; F1177-M1196 HydrophobicContact CE2-CB 3.9Å; M1196-R1198 HydrophobicContact CE-CG 4.09Å; M1196-R1198 HydrophobicContact SD-CG 3.7Å
1197L86.5Confident75.8Confident18 Ų1837.4 Ų37.49%0.09419%0.189CC..EExtended strand (participates in β ladder)trans-99.6132.5180-168.270.3000108.8L1174 D1217 P1219L1174-L1197 HydrophobicContact CB-CD1 4.05Å; L1174-L1197 HydrophobicContact CD1-CD1 4Å; L1197-D1217 HydrophobicContact CB-CB 4.23Å; L1197-D1217 HydrophobicContact CD2-CB 3.93Å; L1197-D1217 HydrophobicContact CG-CB 4.1Å; L1197-D1217 PolarHBondContact O-N 2.56Å; L1197-P1219 HydrophobicContact CD2-CB 4.35Å
1198R86.4Confident75.2Confident25 Ų2536.1 Ų36.19%0.09419%0.185CC..EExtended strand (participates in β ladder)trans-107.3145.9162.9-71.8175.3-74.1168.9-8.8108.7D864 L892 S1172 E1173 M1196 G1207 C1215D864-R1198 IonicContact OD1-NH2 3.43Å; D864-R1198 PolarHBondContact OD1-NH2 3.49Å; D864-R1198 IonicContact OD2-NH2 3.6Å; D864-R1198 PolarHBondContact OD2-NH2 3.28Å; L892-R1198 HydrophobicContact CD1-CG 4.36Å; S1172-R1198 CarbonylContact C-O 3.52Å; S1172-R1198 WeakPolarHBondContact CA-O 3.46Å; S1172-R1198 WeakPolarHBondContact CB-O 3.48Å; E1173-R1198 HydrophobicContact CB-CB 4.41Å; E1173-R1198 PolarHBondContact N-O 3.38Å; E1173-R1198 PolarHBondContact O-N 3.26Å; E1173-R1198 IonicContact OE2-CZ 2.73Å; E1173-R1198 IonicContact OE2-NE 2.71Å; E1173-R1198 IonicContact OE2-NH1 2.84Å; E1173-R1198 IonicContact OE2-NH2 2.65Å; M1196-R1198 HydrophobicContact CE-CG 4.09Å; M1196-R1198 HydrophobicContact SD-CG 3.7Å; R1198-G1207 PolarHBondContact NH1-O 3.28Å; R1198-C1215 CarbonylContact C-O 3.59Å; R1198-C1215 VanDerWaalsContact CA-O 3.31Å; R1198-C1215 WeakPolarHBondContact CA-O 3.39Å
1199T87.2Confident74.8Confident2 Ų234 Ų341%0.01218%0.177CC..EExtended strand (participates in β ladder)trans-127.3134.1171.2-61.20000108F1158 C1170 N1171 S1172 A1214 C1215 D1217F1158-T1199 HydrophobicContact CE2-CG2 3.92Å; F1158-T1199 HydrophobicContact CZ-CG2 3.98Å; F1158-T1199 VanDerWaalsContact CZ-O 3.3Å; F1158-T1199 WeakPolarHBondContact CZ-O 3.34Å; C1170-T1199 HydrophobicContact CB-CG2 3.72Å; N1171-T1199 WeakPolarHBondContact O-CA 3.44Å; S1172-T1199 PolarHBondContact OG-OG1 3.11Å; T1199-A1214 CarbonylContact O-C 3.57Å; T1199-A1214 VanDerWaalsContact O-CA 3.32Å; T1199-A1214 WeakPolarHBondContact O-CA 3.35Å; T1199-C1215 PolarHBondContact N-O 3.22Å; T1199-C1215 PolarHBondContact O-N 3.32Å; T1199-D1217 WeakPolarHBondContact CB-OD2 3.22Å; T1199-D1217 WeakPolarHBondContact OG1-CB 3.43Å; T1199-D1217 PolarHBondContact OG1-OD2 3.12Å
1200K83.9Confident74.3Confident19 Ų1936.2 Ų36.28%0.08319%0.188CC..EExtended strand (participates in β ladder)trans-121.2159.717467.5-172-177.6-162.80110.1C1170 N1171 E1173 E1204 N1205 A1214C1170-K1200 CarbonylContact C-O 3.6Å; C1170-K1200 VanDerWaalsContact CA-O 3.23Å; C1170-K1200 WeakPolarHBondContact CA-O 3.42Å; C1170-K1200 WeakPolarHBondContact CB-O 3.25Å; N1171-K1200 PolarHBondContact N-O 3.13Å; N1171-K1200 PolarHBondContact O-N 2.98Å; N1171-K1200 WeakPolarHBondContact OD1-CE 3.43Å; N1171-K1200 VanDerWaalsContact OD1-CG 3.3Å; N1171-K1200 WeakPolarHBondContact OD1-CG 3.09Å; E1173-K1200 WeakPolarHBondContact OE1-CE 3.34Å; E1173-K1200 IonicContact OE1-NZ 2.67Å; E1173-K1200 PolarHBondContact OE1-NZ 3.4Å; K1200-E1204 WeakPolarHBondContact CD-O 3.39Å; K1200-E1204 WeakPolarHBondContact CE-O 3.4Å; K1200-N1205 PolarHBondContact NZ-O 2.98Å; K1200-A1214 HydrophobicContact CB-CB 4.03Å
1201L86.3Confident73.7Confident15 Ų1539.7 Ų39.78%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-65.3146171.8-61176.1000109F1158 Q1168 S1203 E1204F1158-L1201 HydrophobicContact CD1-CD2 4.22Å; F1158-L1201 HydrophobicContact CD1-CG 4.42Å; F1158-L1201 HydrophobicContact CD2-CD2 3.77Å; F1158-L1201 HydrophobicContact CE1-CD2 4.3Å; F1158-L1201 HydrophobicContact CE1-CG 4.28Å; F1158-L1201 HydrophobicContact CE2-CD2 3.93Å; F1158-L1201 HydrophobicContact CG-CD2 3.93Å; F1158-L1201 HydrophobicContact CZ-CD2 4.16Å; F1158-L1201 HydrophobicContact CZ-CG 4.39Å; Q1168-L1201 HydrophobicContact CB-CD2 3.69Å; Q1168-L1201 HydrophobicContact CG-CD2 4.29Å; L1201-S1203 PolarHBondContact O-N 3.08Å; L1201-E1204 HydrophobicContact CB-CB 4.39Å; L1201-E1204 HydrophobicContact CB-CG 3.83Å; L1201-E1204 HydrophobicContact CD1-CG 4.42Å; L1201-E1204 WeakPolarHBondContact O-CB 3.36Å; L1201-E1204 PolarHBondContact O-N 3.23Å
1202D83.8Confident73.6Confident62 Ų6237.6 Ų37.633%0.33221%0.208SC..THydrogen-bonded Turntrans-66.8-25.5-176.8-162.156.2000112.9V1153 A1169 N1171 E1204V1153-D1202 HydrophobicContact CG1-CB 4.18Å; V1153-D1202 WeakPolarHBondContact CG2-OD2 3.39Å; A1169-D1202 HydrophobicContact CB-CB 4.13Å; A1169-D1202 PolarHBondContact O-N 3.26Å; N1171-D1202 PolarHBondContact ND2-OD1 2.65Å; D1202-E1204 VanDerWaalsContact C-N 3.27Å; D1202-E1204 PolarHBondContact O-N 3.32Å
1203S81.3Confident73.8Confident99 Ų9935.4 Ų35.469%0.69220%0.197SC*.THydrogen-bonded Turntrans-72.5-12.9171.2580000114.5L1201L1201-S1203 PolarHBondContact O-N 3.08Å
1204E78.5Confident74.8Confident68 Ų6835.5 Ų35.532%0.31820%0.198SC..  trans-97.5114.6-176.5-66.3-74.5177.200110.4K1200 L1201 D1202K1200-E1204 WeakPolarHBondContact CD-O 3.39Å; K1200-E1204 WeakPolarHBondContact CE-O 3.4Å; L1201-E1204 HydrophobicContact CB-CB 4.39Å; L1201-E1204 HydrophobicContact CB-CG 3.83Å; L1201-E1204 HydrophobicContact CD1-CG 4.42Å; L1201-E1204 WeakPolarHBondContact O-CB 3.36Å; L1201-E1204 PolarHBondContact O-N 3.23Å; D1202-E1204 VanDerWaalsContact C-N 3.27Å; D1202-E1204 PolarHBondContact O-N 3.32Å
1205N74.5Confident75.3Confident47 Ų4736.8 Ų36.825%0.25121%0.207SC..  trans-66.6-38.9177.4-71.6-39.6000111.4Y1124 R1148 K1200Y1124-N1205 HydrophobicContact CD1-CB 4.03Å; Y1124-N1205 HydrophobicContact CD2-CB 3.75Å; Y1124-N1205 HydrophobicContact CE1-CB 3.89Å; Y1124-N1205 HydrophobicContact CE2-CB 3.62Å; Y1124-N1205 HydrophobicContact CG-CB 3.97Å; Y1124-N1205 PolarHBondContact OH-O 3.45Å; R1148-N1205 PolarHBondContact NH2-OD1 2.91Å; K1200-N1205 PolarHBondContact NZ-O 2.98Å
1206E68.3Low75.7Confident35 Ų3536.9 Ų36.916%0.16421%0.21CC..  trans-94.8134.5-173.2-79.9-66.1168.600114.7G1120 H1121 N1122 Y1124 G1208 T1213G1120-E1206 VanDerWaalsContact CA-CD 3.43Å; G1120-E1206 WeakPolarHBondContact CA-OE2 3.46Å; G1120-E1206 PolarHBondContact N-OE2 2.8Å; H1121-E1206 PolarHBondContact N-OE1 3.24Å; N1122-E1206 VanDerWaalsContact CB-OE1 3.26Å; N1122-E1206 WeakPolarHBondContact CB-OE1 3.16Å; N1122-E1206 PolarHBondContact N-OE1 3.02Å; N1122-E1206 PolarHBondContact ND2-OE1 3.2Å; N1122-E1206 PolarHBondContact ND2-OE2 3.22Å; Y1124-E1206 HydrophobicContact CE2-CG 4.36Å; E1206-G1208 PolarHBondContact O-N 3.34Å; E1206-T1213 WeakPolarHBondContact O-CB 3.14Å; E1206-T1213 PolarHBondContact O-OG1 3.41Å
1207G56.6Low75.8Confident6 Ų637.7 Ų37.76%0.06221%0.214CC..  trans-91.423.1-177.700000115.4R1198 L1209 A1214R1198-G1207 PolarHBondContact NH1-O 3.28Å; G1207-L1209 PolarHBondContact O-N 2.69Å; G1207-A1214 WeakPolarHBondContact O-CB 3.41Å
1208G62.9Low75.8Confident9 Ų937.1 Ų37.19%0.09321%0.211CC..  trans-75.895.2-172.800000114.5E1206 M1210 H1211 G1212 T1213E1206-G1208 PolarHBondContact O-N 3.34Å; G1208-M1210 PolarHBondContact O-N 2.77Å; G1208-H1211 PolarHBondContact O-N 3.16Å; G1208-G1212 PolarHBondContact O-N 2.95Å; G1208-T1213 PolarHBondContact N-OG1 3.31Å; G1208-T1213 VanDerWaalsContact N-OG1 3.12Å; G1208-T1213 PolarHBondContact O-N 3.09Å; G1208-T1213 PolarHBondContact O-OG1 3.33Å
1209L66.4Low75.6Confident43 Ų4337 Ų3723%0.22521%0.214CC..G310 helixtrans-51.2-43.3172.7-177.573000112.2L892 G1207 H1211 G1212 A1214 V1216L892-L1209 HydrophobicContact CD1-CD2 3.71Å; L892-L1209 HydrophobicContact CD2-CD2 3.48Å; L892-L1209 VanDerWaalsContact CD2-CD2 3.48Å; L892-L1209 HydrophobicContact CG-CD2 4.25Å; G1207-L1209 PolarHBondContact O-N 2.69Å; L1209-H1211 PolarHBondContact O-N 2.68Å; L1209-G1212 PolarHBondContact O-N 3.07Å; L1209-A1214 WeakPolarHBondContact CD1-O 3.07Å; L1209-V1216 HydrophobicContact CD1-CG2 3.96Å; L1209-V1216 HydrophobicContact CD2-CG2 3.61Å; L1209-V1216 HydrophobicContact CG-CG2 4.46Å
1210M61.5Low75.3Confident83 Ų8341.5 Ų41.541%0.40923%0.234SC..G310 helixtrans-76.7-7-177.2-49.1-45.2-64.600114R957 N958 G1208R957-M1210 HydrophobicContact CB-CE 3.45Å; R957-M1210 VanDerWaalsContact CB-CE 3.45Å; R957-M1210 PolarHBondContact NH1-O 2.74Å; R957-M1210 VanDerWaalsContact O-CE 3.27Å; R957-M1210 WeakPolarHBondContact O-CE 3.25Å; N958-M1210 HydrophobicContact CB-CE 4.45Å; G1208-M1210 PolarHBondContact O-N 2.77Å
1211H61.6Low75Confident121 Ų12144.4 Ų44.456%0.5625%0.249SC*.G310 helixtrans-100.4-2.6169.5-61.5-89.4000111.8G1208 L1209 T1213G1208-H1211 PolarHBondContact O-N 3.16Å; L1209-H1211 PolarHBondContact O-N 2.68Å; H1211-T1213 VanDerWaalsContact C-N 3.31Å; H1211-T1213 HydrophobicContact CB-CG2 4.47Å; H1211-T1213 PolarHBondContact O-N 3.12Å
1212G64.6Low74.2Confident38 Ų3850.9 Ų50.939%0.39227%0.274SS..THydrogen-bonded Turntrans778.4179.300000115.2K1160 G1208 L1209K1160-G1212 WeakPolarHBondContact CE-O 3.42Å; K1160-G1212 PolarHBondContact NZ-O 3.44Å; G1208-G1212 PolarHBondContact O-N 2.95Å; L1209-G1212 PolarHBondContact O-N 3.07Å
1213T68.8Low72.9Confident21 Ų2153.8 Ų53.813%0.12929%0.289CS..SBendtrans-78.5-39178.763.40000111.8E1206 G1208 H1211E1206-T1213 WeakPolarHBondContact O-CB 3.14Å; E1206-T1213 PolarHBondContact O-OG1 3.41Å; G1208-T1213 PolarHBondContact N-OG1 3.31Å; G1208-T1213 VanDerWaalsContact N-OG1 3.12Å; G1208-T1213 PolarHBondContact O-N 3.09Å; G1208-T1213 PolarHBondContact O-OG1 3.33Å; H1211-T1213 VanDerWaalsContact C-N 3.31Å; H1211-T1213 HydrophobicContact CB-CG2 4.47Å; H1211-T1213 PolarHBondContact O-N 3.12Å
1214A77Confident71.3Confident3 Ų356.9 Ų56.93%0.02531%0.311CS..EExtended strand (participates in β ladder)trans-105.9167.8176.200000113.3T1199 K1200 G1207 L1209T1199-A1214 CarbonylContact O-C 3.57Å; T1199-A1214 VanDerWaalsContact O-CA 3.32Å; T1199-A1214 WeakPolarHBondContact O-CA 3.35Å; K1200-A1214 HydrophobicContact CB-CB 4.03Å; G1207-A1214 WeakPolarHBondContact O-CB 3.41Å; L1209-A1214 WeakPolarHBondContact CD1-O 3.07Å
1215C81.7Confident70.9Confident32 Ų3256.4 Ų56.422%0.21631%0.311CS..EExtended strand (participates in β ladder)trans-129.2158.2171-67.60000110.7F1158 R1198 T1199F1158-C1215 HydrophobicContact CD1-CB 4.39Å; F1158-C1215 WeakPolarHBondContact CD1-SG 3.35Å; F1158-C1215 HydrophobicContact CE1-CB 4.07Å; R1198-C1215 CarbonylContact C-O 3.59Å; R1198-C1215 VanDerWaalsContact CA-O 3.31Å; R1198-C1215 WeakPolarHBondContact CA-O 3.39Å; T1199-C1215 PolarHBondContact N-O 3.22Å; T1199-C1215 PolarHBondContact O-N 3.32Å
1216V85.8Confident70.7Confident29 Ų2956.8 Ų56.818%0.17631%0.314CS..EExtended strand (participates in β ladder)trans-81.7137.4169.9-174.90000109.1L892 I895 C899 L1209L892-V1216 HydrophobicContact CD1-CG2 4.29Å; I895-V1216 HydrophobicContact CG2-CB 4.41Å; I895-V1216 HydrophobicContact CG2-CG1 4.31Å; I895-V1216 HydrophobicContact CG2-CG2 4.04Å; C899-V1216 HydrophobicContact CB-CG1 3.86Å; L1209-V1216 HydrophobicContact CD1-CG2 3.96Å; L1209-V1216 HydrophobicContact CD2-CG2 3.61Å; L1209-V1216 HydrophobicContact CG-CG2 4.46Å
1217D87.8Confident70.8Confident16 Ų1658.1 Ų58.19%0.08632%0.322CS..EExtended strand (participates in β ladder)trans-134.4-177.8-173-156.2-18.5000110H903 N1156 L1197 T1199H903-D1217 IonicContact CE1-OD1 3.53Å; H903-D1217 PolarHBondContact CE1-OD1 2.78Å; H903-D1217 VanDerWaalsContact CE1-OD1 3.27Å; H903-D1217 IonicContact ND1-OD1 3.87Å; N1156-D1217 PolarHBondContact ND2-OD2 3.04Å; N1156-D1217 VanDerWaalsContact ND2-OD2 3.16Å; L1197-D1217 HydrophobicContact CB-CB 4.23Å; L1197-D1217 HydrophobicContact CD2-CB 3.93Å; L1197-D1217 HydrophobicContact CG-CB 4.1Å; L1197-D1217 PolarHBondContact O-N 2.56Å; T1199-D1217 WeakPolarHBondContact CB-OD2 3.22Å; T1199-D1217 WeakPolarHBondContact OG1-CB 3.43Å; T1199-D1217 PolarHBondContact OG1-OD2 3.12Å
1218S87.5Confident71.7Confident6 Ų661.1 Ų61.14%0.04234%0.337CS..  trans-139.5138.9169-65.80000110.7T900 F1220T900-S1218 VanDerWaalsContact CA-OG 3.23Å; T900-S1218 WeakPolarHBondContact CA-OG 3.34Å; T900-S1218 PolarHBondContact N-OG 3Å; T900-S1218 PolarHBondContact OG1-OG 2.79Å; S1218-F1220 PolarHBondContact O-N 3.03Å
1219P82.3Confident72.2Confident24 Ų2464.4 Ų64.416%0.15635%0.353CS..  trans-64.5129.6-175.327.5-34.1000110.9P922 F1195 L1197P922-P1219 WeakPolarHBondContact CD-O 3.14Å; P922-P1219 HydrophobicContact CG-CG 3.8Å; F1195-P1219 HydrophobicContact CD2-CG 3.8Å; F1195-P1219 HydrophobicContact CE2-CG 3.65Å; F1195-P1219 HydrophobicContact CG-CG 4.34Å; F1195-P1219 HydrophobicContact CZ-CG 4.06Å; L1197-P1219 HydrophobicContact CD2-CB 4.35Å
1220F81Confident72.6Confident96 Ų9665.8 Ų65.842%0.42136%0.361SS..  trans-95.5105.4166.1-177.2-88.5000107.8M907 Y920 S1218 Y1222M907-F1220 HydrophobicContact CE-CD2 3.47Å; M907-F1220 VanDerWaalsContact CE-CD2 3.47Å; M907-F1220 HydrophobicContact CE-CE2 3.43Å; M907-F1220 VanDerWaalsContact CE-CE2 3.43Å; Y920-F1220 HydrophobicContact CD1-CD1 4.41Å; Y920-F1220 AromaticContact CD1-CE1 3.67Å; Y920-F1220 HydrophobicContact CD1-CE1 3.67Å; Y920-F1220 AromaticContact CD1-CE2 3.86Å; Y920-F1220 HydrophobicContact CD1-CE2 3.86Å; Y920-F1220 AromaticContact CD1-CZ 3.34Å; Y920-F1220 HydrophobicContact CD1-CZ 3.34Å; Y920-F1220 HydrophobicContact CE1-CE1 4.24Å; Y920-F1220 AromaticContact CE1-CZ 3.99Å; Y920-F1220 HydrophobicContact CE1-CZ 3.99Å; Y920-F1220 HydrophobicContact CG-CE1 4.43Å; Y920-F1220 AromaticContact CG-CE2 3.8Å; Y920-F1220 HydrophobicContact CG-CE2 3.8Å; Y920-F1220 AromaticContact CG-CZ 3.74Å; Y920-F1220 HydrophobicContact CG-CZ 3.74Å; Y920-F1220 CarbonylContact O-C 3.6Å; Y920-F1220 VanDerWaalsContact O-CA 3.27Å; Y920-F1220 WeakPolarHBondContact O-CA 3.14Å; S1218-F1220 PolarHBondContact O-N 3.03Å; F1220-Y1222 HydrophobicContact CD1-CD1 4.06Å; F1220-Y1222 WeakPolarHBondContact O-CD1 3.29Å
1221I77.8Confident73.4Confident79 Ų7964.6 Ų64.641%0.40536%0.358SS..  trans-80.1118.2-179.2-60.2177.7000109.1Y920 P922Y920-I1221 WeakPolarHBondContact CD1-O 3.3Å; Y920-I1221 PolarHBondContact O-N 2.86Å; P922-I1221 HydrophobicContact CB-CD1 4.03Å; P922-I1221 HydrophobicContact CG-CD1 3.74Å; P922-I1221 HydrophobicContact CG-CG1 4.3Å
1222Y68.4Low74.3Confident152 Ų15260.2 Ų60.260%0.59634%0.342SS*.  trans-127.9150.3171.961.4-82.9000109.8F1220F1220-Y1222 HydrophobicContact CD1-CD1 4.06Å; F1220-Y1222 WeakPolarHBondContact O-CD1 3.29Å
1223D57.6Low75.1Confident122 Ų12262.1 Ų62.165%0.65234%0.338SS*.  trans-72.6132.9170.6-53-62.6000109.8Y919Y919-D1223 VanDerWaalsContact OH-CG 3.28Å; Y919-D1223 PolarHBondContact OH-OD1 3.05Å; Y919-D1223 PolarHBondContact OH-OD2 2.79Å
1224S46.1Very low75.7Confident165 Ų16565.8 Ų65.8100%1.15436%0.357SS*.  trans-95.40-173.463.10000114.4

Retrieved 1,224 of 1,224 residues in 802.3 ms (Link to these results)

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