A0A146MI69_SCHMA Loading...

Ras-related protein Rab-4A

AlphaFold DB , UniProt , Accession A0A146MI69, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 215 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
1M58.7Low87.8Confident210 Ų21071.5 Ų71.5100%1.03432%0.32SS*.  01250-146.4-179.3-98.700107R3M1-R3 PolarHBondContact O-N 3.07Å
2E67.4Low88.5Confident144 Ų14465.5 Ų65.567%0.67329%0.293SS*.  trans-64.1131.8178.4-72.7-178.1158.900110.4V48E2-V48 HydrophobicContact CB-CG2 4.42Å; E2-V48 WeakPolarHBondContact OE2-CG2 3.38Å
3R83.7Confident89.1Confident217 Ų21760.5 Ų60.582%0.81927%0.27SS*.  trans-77.1139.9176.1-72.7-174.5179.5-179.8-0.4110M1 S55M1-R3 PolarHBondContact O-N 3.07Å; R3-S55 PolarHBondContact O-OG 3.08Å
4Y90.4Very high89.5Confident41 Ų4156.2 Ų56.216%0.16125%0.252CS..  trans-137.3151.8175.158.6-91.9000109.7Y6 L7 K57 G188Y4-Y6 WeakPolarHBondContact CD2-O 3.36Å; Y4-L7 HydrophobicContact CD2-CB 4.48Å; Y4-L7 HydrophobicContact CE2-CB 3.81Å; Y4-K57 HydrophobicContact CD1-CB 3.71Å; Y4-K57 HydrophobicContact CD1-CD 3.71Å; Y4-K57 HydrophobicContact CD1-CG 4.34Å; Y4-K57 HydrophobicContact CD2-CB 3.86Å; Y4-K57 HydrophobicContact CE1-CB 4.14Å; Y4-K57 HydrophobicContact CE1-CD 3.46Å; Y4-K57 VanDerWaalsContact CE1-CD 3.46Å; Y4-K57 HydrophobicContact CE1-CG 4.44Å; Y4-K57 HydrophobicContact CE2-CB 4.26Å; Y4-K57 HydrophobicContact CG-CB 3.55Å; Y4-K57 HydrophobicContact CG-CD 4.4Å; Y4-G188 WeakPolarHBondContact CE2-O 3.33Å
5D92.6Very high89.9Confident74 Ų7455.1 Ų55.140%0.39625%0.249SC..SBendtrans-86.9-34.1178.2-54.3-56.6000110.9K54 S55D5-K54 WeakPolarHBondContact OD2-CA 3.26Å; D5-S55 PolarHBondContact N-O 2.95Å; D5-S55 PolarHBondContact OD2-N 3.41Å
6Y94.2Very high90Very high47 Ų4753.8 Ų53.818%0.18425%0.251CS..EExtended strand (participates in β ladder)trans-133.1143.4-176.7-59.9-82.6000112Y4 K54 S55 V56 K57 L171 I174Y4-Y6 WeakPolarHBondContact CD2-O 3.36Å; Y6-K54 HydrophobicContact CD2-CB 4.34Å; Y6-K54 HydrophobicContact CE2-CB 4.2Å; Y6-K54 HydrophobicContact CE2-CD 4Å; Y6-K54 HydrophobicContact CE2-CG 4.02Å; Y6-S55 PolarHBondContact N-O 3.07Å; Y6-V56 HydrophobicContact CD2-CG2 4.34Å; Y6-K57 PolarHBondContact O-N 2.99Å; Y6-L171 HydrophobicContact CD1-CD2 4.34Å; Y6-L171 HydrophobicContact CD2-CD2 3.56Å; Y6-L171 HydrophobicContact CE2-CD2 3.77Å; Y6-L171 HydrophobicContact CG-CD2 3.87Å; Y6-I174 HydrophobicContact CD1-CD1 4.37Å; Y6-I174 HydrophobicContact CE1-CG2 4.13Å
7L94.4Very high90.1Very high20 Ų2054.8 Ų54.811%0.10527%0.271CS..EExtended strand (participates in β ladder)trans-112.5115.5168.9-179.564.1000108.2Y4 K57 Q59 Y185Y4-L7 HydrophobicContact CD2-CB 4.48Å; Y4-L7 HydrophobicContact CE2-CB 3.81Å; L7-K57 WeakPolarHBondContact CA-O 3.49Å; L7-K57 HydrophobicContact CD1-CB 4.01Å; L7-K57 HydrophobicContact CD1-CD 4.07Å; L7-K57 HydrophobicContact CD1-CG 3.9Å; L7-Q59 HydrophobicContact CD1-CG 3.8Å; L7-Y185 WeakPolarHBondContact O-CD1 3.21Å
8L95.4Very high90.4Very high1 Ų151.7 Ų51.71%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-118.9135.9-178.3-55.2-179.2000111F10 V56 K57 L58 Q59 V170 I174 Y185L8-F10 HydrophobicContact CB-CD1 4.13Å; L8-F10 HydrophobicContact CB-CE1 3.76Å; L8-F10 HydrophobicContact CD1-CE1 4.07Å; L8-F10 HydrophobicContact CD1-CZ 4.46Å; L8-V56 HydrophobicContact CB-CG1 4.37Å; L8-V56 HydrophobicContact CD1-CG1 3.55Å; L8-V56 HydrophobicContact CG-CG1 3.72Å; L8-K57 PolarHBondContact N-O 3.17Å; L8-L58 HydrophobicContact CB-CD2 4.05Å; L8-L58 HydrophobicContact CD1-CD2 4.38Å; L8-Q59 PolarHBondContact O-N 2.94Å; L8-V170 HydrophobicContact CD1-CB 4.06Å; L8-V170 HydrophobicContact CD1-CG1 3.74Å; L8-V170 HydrophobicContact CD2-CG1 3.8Å; L8-V170 HydrophobicContact CG-CG1 4.37Å; L8-I174 HydrophobicContact CD2-CD1 4.02Å; L8-Y185 HydrophobicContact CD2-CE2 4.44Å
9K95.3Very high90.6Very high32 Ų3249.7 Ų49.714%0.13925%0.25CC..EExtended strand (participates in β ladder)trans-98.3117.7176.8179176.5174-177.30110.6Q59 Y76 R78 A80 A81 C82 Y185K9-Q59 WeakPolarHBondContact CA-O 3.27Å; K9-Y76 WeakPolarHBondContact CE-O 3.48Å; K9-Y76 PolarHBondContact NZ-O 3.49Å; K9-R78 PolarHBondContact NZ-O 2.94Å; K9-A80 HydrophobicContact CG-CB 4.43Å; K9-A80 WeakPolarHBondContact O-CA 3.25Å; K9-A81 PolarHBondContact O-N 3.07Å; K9-C82 PolarHBondContact O-N 3.27Å; K9-Y185 HydrophobicContact CB-CE1 4.5Å
10F97.1Very high90.8Very high0 Ų047.7 Ų47.70%024%0.239CC..EExtended strand (participates in β ladder)trans-113.6140.3-179.4-77.323.4000109.8L8 L58 Q59 I60 W61 C82 L84 F163 A166 V167 V170L8-F10 HydrophobicContact CB-CD1 4.13Å; L8-F10 HydrophobicContact CB-CE1 3.76Å; L8-F10 HydrophobicContact CD1-CE1 4.07Å; L8-F10 HydrophobicContact CD1-CZ 4.46Å; F10-L58 HydrophobicContact CD1-CD2 4.47Å; F10-L58 HydrophobicContact CE1-CD2 4.13Å; F10-L58 HydrophobicContact CE2-CD1 4.36Å; F10-L58 HydrophobicContact CE2-CD2 4.19Å; F10-L58 HydrophobicContact CZ-CD2 3.99Å; F10-Q59 PolarHBondContact N-O 3.37Å; F10-I60 HydrophobicContact CB-CG1 4.44Å; F10-I60 WeakPolarHBondContact O-CA 3.42Å; F10-W61 PolarHBondContact O-N 2.95Å; F10-C82 WeakPolarHBondContact CA-O 3.42Å; F10-C82 HydrophobicContact CD1-CB 3.55Å; F10-C82 HydrophobicContact CD2-CB 4.21Å; F10-C82 HydrophobicContact CE1-CB 3.51Å; F10-C82 HydrophobicContact CE2-CB 4.2Å; F10-C82 HydrophobicContact CG-CB 3.9Å; F10-C82 HydrophobicContact CZ-CB 3.84Å; F10-L84 HydrophobicContact CB-CD1 4.41Å; F10-L84 HydrophobicContact CD2-CD1 3.87Å; F10-L84 HydrophobicContact CG-CD1 4.47Å; F10-F163 HydrophobicContact CD2-CD1 4.3Å; F10-A166 HydrophobicContact CD2-CB 4.32Å; F10-A166 HydrophobicContact CE2-CB 3.42Å; F10-A166 VanDerWaalsContact CE2-CB 3.42Å; F10-A166 HydrophobicContact CZ-CB 3.87Å; F10-V167 HydrophobicContact CE2-CG2 3.89Å; F10-V167 HydrophobicContact CZ-CG2 3.67Å; F10-V170 HydrophobicContact CE1-CG2 4.25Å; F10-V170 HydrophobicContact CZ-CG2 4.47Å
11L96.3Very high91Very high0 Ų046 Ų460%023%0.231CC..EExtended strand (participates in β ladder)trans-109.8145.6172.2-68.4159.9000109.8I13 W61 T63 Y77 A80 C82 A83 L84 V105L11-I13 HydrophobicContact CB-CG2 4.17Å; L11-W61 WeakPolarHBondContact CA-O 3.41Å; L11-W61 HydrophobicContact CD2-CB 3.8Å; L11-T63 HydrophobicContact CD2-CG2 4.28Å; L11-Y77 HydrophobicContact CD1-CD1 3.68Å; L11-Y77 HydrophobicContact CD1-CE1 4.3Å; L11-Y77 HydrophobicContact CD1-CG 4.33Å; L11-Y77 HydrophobicContact CD2-CD1 4.28Å; L11-A80 HydrophobicContact CD1-CB 3.29Å; L11-A80 HydrophobicContact CG-CB 3.78Å; L11-C82 PolarHBondContact N-O 2.92Å; L11-A83 WeakPolarHBondContact O-CA 3.35Å; L11-L84 PolarHBondContact O-N 2.86Å; L11-V105 HydrophobicContact CD1-CG2 3.83Å
12I96.8Very high92.7Very high0 Ų036.5 Ų36.50%019%0.186CC..EExtended strand (participates in β ladder)trans-115.6117.7164.7-48.6173.4000107.3K20 M24 I60 W61 T63 L84 V86 F163I12-K20 HydrophobicContact CB-CB 4.47Å; I12-K20 HydrophobicContact CG2-CB 3.59Å; I12-K20 HydrophobicContact CG2-CD 4.12Å; I12-K20 HydrophobicContact CG2-CG 3.78Å; I12-M24 HydrophobicContact CD1-CB 3.66Å; I12-M24 HydrophobicContact CD1-CG 4.16Å; I12-I60 HydrophobicContact CD1-CG2 3.62Å; I12-I60 HydrophobicContact CG1-CG2 3.92Å; I12-W61 PolarHBondContact N-O 2.77Å; I12-T63 PolarHBondContact O-N 3.11Å; I12-T63 PolarHBondContact O-OG1 3.49Å; I12-L84 WeakPolarHBondContact CA-O 3.3Å; I12-L84 HydrophobicContact CG1-CB 4.35Å; I12-L84 HydrophobicContact CG2-CB 4.4Å; I12-V86 HydrophobicContact CG2-CG2 3.67Å; I12-F163 HydrophobicContact CD1-CZ 3.97Å
13I95.6Very high94Very high0 Ų029.8 Ų29.80%015%0.154CC..EExtended strand (participates in β ladder)trans-131.9164.1-174.267.3176.9000110.8L11 T63 Y77 A83 L84 V85 V86 W101 V105L11-I13 HydrophobicContact CB-CG2 4.17Å; I13-T63 HydrophobicContact CG2-CG2 4.43Å; I13-Y77 HydrophobicContact CG2-CE1 3.9Å; I13-A83 HydrophobicContact CD1-CB 4.36Å; I13-L84 PolarHBondContact N-O 2.91Å; I13-V85 HydrophobicContact CD1-CG2 3.94Å; I13-V85 HydrophobicContact CG1-CB 4.4Å; I13-V85 HydrophobicContact CG1-CG1 4.46Å; I13-V85 HydrophobicContact CG1-CG2 3.82Å; I13-V86 PolarHBondContact O-N 3.24Å; I13-W101 HydrophobicContact CB-CE3 3.92Å; I13-W101 HydrophobicContact CB-CZ3 4.31Å; I13-W101 HydrophobicContact CD1-CB 4.09Å; I13-W101 HydrophobicContact CD1-CE3 4.28Å; I13-W101 HydrophobicContact CG1-CB 4.42Å; I13-W101 HydrophobicContact CG1-CE3 4.39Å; I13-V105 HydrophobicContact CD1-CB 3.82Å; I13-V105 HydrophobicContact CD1-CG1 3.81Å; I13-V105 HydrophobicContact CD1-CG2 4.36Å
14G95.5Very high94.6Very high1 Ų119.5 Ų19.51%0.0112%0.115CC..  trans134.9168.3-172.800000111.9K20 G65 V86 W101G14-K20 WeakPolarHBondContact O-CE 3.35Å; G14-K20 PolarHBondContact O-NZ 3.19Å; G14-G65 WeakPolarHBondContact O-CA 3.13Å; G14-V86 WeakPolarHBondContact CA-O 3.28Å; G14-W101 VanDerWaalsContact C-CE2 3.44Å; G14-W101 WeakPolarHBondContact O-CZ2 3.3Å
15N94.7Very high94.7Very high39 Ų3920 Ų2021%0.20912%0.117CC..SBendtrans-57161.3-176.6-78.514.8000113T18 K20 A97 W101N15-T18 HydrophobicContact CB-CG2 3.98Å; N15-T18 WeakPolarHBondContact O-CG2 3.33Å; N15-T18 PolarHBondContact O-OG1 3.38Å; N15-T18 VanDerWaalsContact O-OG1 3.07Å; N15-K20 PolarHBondContact O-NZ 2.94Å; N15-A97 VanDerWaalsContact OD1-CB 3.3Å; N15-A97 WeakPolarHBondContact OD1-CB 3.18Å; N15-W101 PolarHBondContact OD1-NE1 3.5Å
16A92.3Very high94.8Very high34 Ų3419 Ų1928%0.28111%0.108SC..THydrogen-bonded Turntrans-57.9153.3172.400000110.8T18 G65 Q66A16-T18 PolarHBondContact O-N 3.05Å; A16-G65 PolarHBondContact N-O 3.01Å; A16-G65 VanDerWaalsContact N-O 3.09Å; A16-Q66 HydrophobicContact CB-CG 3.8Å
17A92Very high94.9Very high71 Ų7117 Ų1759%0.58710%0.1SC*.THydrogen-bonded Turntrans62.34.5177.600000117.4G19 K121A17-G19 PolarHBondContact O-N 2.7Å; A17-K121 WeakPolarHBondContact O-CE 3.37Å; A17-K121 PolarHBondContact O-NZ 3.08Å
18T95Very high94.9Very high0 Ų017.9 Ų17.90%011%0.105CC..SBendtrans-72.3-10.7174.762.10000114.3N15 A16 V86 D88 N120N15-T18 HydrophobicContact CB-CG2 3.98Å; N15-T18 WeakPolarHBondContact O-CG2 3.33Å; N15-T18 PolarHBondContact O-OG1 3.38Å; N15-T18 VanDerWaalsContact O-OG1 3.07Å; A16-T18 PolarHBondContact O-N 3.05Å; T18-V86 PolarHBondContact OG1-O 2.88Å; T18-D88 HydrophobicContact CG2-CB 4.3Å; T18-N120 PolarHBondContact O-ND2 3.45Å
19G94.7Very high94.8Very high14 Ų1422.5 Ų22.514%0.14413%0.126CC..SBendtrans96.918.7175.600000115.8A17 T21 C22 L23A17-G19 PolarHBondContact O-N 2.7Å; G19-T21 PolarHBondContact O-N 3.07Å; G19-C22 WeakPolarHBondContact O-CB 3.47Å; G19-C22 PolarHBondContact O-N 3.41Å; G19-C22 VanDerWaalsContact O-N 3.12Å; G19-L23 PolarHBondContact O-N 3.33Å
20K94.7Very high94.5Very high9 Ų923 Ų234%0.03914%0.141CC..Hα-helixtrans-49.9-54177.1-59.5-173.1-60.5-69.70114.1I12 G14 N15 C22 L23 M24 D62 T63 V86I12-K20 HydrophobicContact CB-CB 4.47Å; I12-K20 HydrophobicContact CG2-CB 3.59Å; I12-K20 HydrophobicContact CG2-CD 4.12Å; I12-K20 HydrophobicContact CG2-CG 3.78Å; G14-K20 WeakPolarHBondContact O-CE 3.35Å; G14-K20 PolarHBondContact O-NZ 3.19Å; N15-K20 PolarHBondContact O-NZ 2.94Å; K20-C22 VanDerWaalsContact C-N 3.28Å; K20-C22 PolarHBondContact O-N 3.31Å; K20-L23 WeakPolarHBondContact O-CB 3.42Å; K20-L23 PolarHBondContact O-N 2.89Å; K20-M24 PolarHBondContact O-N 3.49Å; K20-D62 WeakPolarHBondContact CB-OD1 3.43Å; K20-T63 WeakPolarHBondContact CE-O 3.29Å; K20-V86 HydrophobicContact CG-CB 4.01Å; K20-V86 HydrophobicContact CG-CG2 4.15Å
21T93.4Very high93.8Very high11 Ų1130 Ų307%0.06717%0.171CC..Hα-helixtrans-60.6-39.1177.6-47.80000111.8G19 M24 R25 T39 E43 D62G19-T21 PolarHBondContact O-N 3.07Å; T21-M24 PolarHBondContact O-N 3.25Å; T21-R25 HydrophobicContact CG2-CG 4.47Å; T21-R25 WeakPolarHBondContact O-CB 3.4Å; T21-R25 VanDerWaalsContact O-CG 3.31Å; T21-R25 WeakPolarHBondContact O-CG 3.31Å; T21-R25 PolarHBondContact O-N 3.06Å; T21-T39 PolarHBondContact OG1-OG1 2.89Å; T21-E43 WeakPolarHBondContact CG2-OE2 3.47Å; T21-D62 VanDerWaalsContact CA-OD2 3.26Å; T21-D62 WeakPolarHBondContact CA-OD2 3.29Å; T21-D62 VanDerWaalsContact CB-OD2 3.23Å; T21-D62 WeakPolarHBondContact CB-OD2 3.36Å; T21-D62 PolarHBondContact N-OD1 3.38Å; T21-D62 PolarHBondContact OG1-OD2 3.1Å
22C94.5Very high93.3Very high12 Ų1233.6 Ų33.68%0.08119%0.187CC..Hα-helixtrans-67.1-40.5177.9-56.90000111.6G19 K20 R25 W26 F32 S36 A153G19-C22 WeakPolarHBondContact O-CB 3.47Å; G19-C22 PolarHBondContact O-N 3.41Å; G19-C22 VanDerWaalsContact O-N 3.12Å; K20-C22 VanDerWaalsContact C-N 3.28Å; K20-C22 PolarHBondContact O-N 3.31Å; C22-R25 PolarHBondContact O-N 3.27Å; C22-W26 VanDerWaalsContact O-CB 3.29Å; C22-W26 WeakPolarHBondContact O-CB 3.34Å; C22-W26 PolarHBondContact O-N 2.99Å; C22-F32 HydrophobicContact CB-CD2 4.18Å; C22-F32 HydrophobicContact CB-CE2 3.86Å; C22-S36 PolarHBondContact SG-OG 2.7Å; C22-A153 HydrophobicContact CB-CB 3.54Å
23L95.9Very high92.4Very high3 Ų338.4 Ų38.42%0.01621%0.208CC..Hα-helixtrans-61.6-46.7173.3-73.9171.1000111.3G19 K20 W26 F27 V86 I118 N120 A153 V159G19-L23 PolarHBondContact O-N 3.33Å; K20-L23 WeakPolarHBondContact O-CB 3.42Å; K20-L23 PolarHBondContact O-N 2.89Å; L23-W26 PolarHBondContact O-N 3.46Å; L23-F27 WeakPolarHBondContact O-CB 3.17Å; L23-F27 PolarHBondContact O-N 3.44Å; L23-V86 HydrophobicContact CD1-CB 4.46Å; L23-V86 HydrophobicContact CD1-CG1 3.71Å; L23-V86 HydrophobicContact CD1-CG2 3.84Å; L23-I118 HydrophobicContact CD1-CG2 4.11Å; L23-N120 HydrophobicContact CD1-CB 4.41Å; L23-A153 HydrophobicContact CD2-CB 3.89Å; L23-A153 HydrophobicContact CG-CB 4.05Å; L23-V159 HydrophobicContact CD2-CG1 4.2Å; L23-V159 HydrophobicContact CD2-CG2 3.66Å
24M95.5Very high91.3Very high0 Ų046.1 Ų46.10%024%0.244CC..Hα-helixtrans-57.7-53.2176.3-170.7179.870.900111I12 K20 T21 W26 F27 L28 E43 I60 D62I12-M24 HydrophobicContact CD1-CB 3.66Å; I12-M24 HydrophobicContact CD1-CG 4.16Å; K20-M24 PolarHBondContact O-N 3.49Å; T21-M24 PolarHBondContact O-N 3.25Å; M24-W26 PolarHBondContact O-N 3.38Å; M24-F27 PolarHBondContact O-N 3.37Å; M24-L28 HydrophobicContact CE-CD1 4.32Å; M24-L28 HydrophobicContact CG-CD1 3.73Å; M24-L28 HydrophobicContact CG-CG 4.23Å; M24-L28 WeakPolarHBondContact O-CB 2.93Å; M24-L28 VanDerWaalsContact O-CG 3.25Å; M24-L28 WeakPolarHBondContact O-CG 3.32Å; M24-L28 PolarHBondContact O-N 3.13Å; M24-L28 HydrophobicContact SD-CD1 4.24Å; M24-E43 HydrophobicContact CE-CB 3.82Å; M24-E43 HydrophobicContact CE-CG 3.57Å; M24-E43 WeakPolarHBondContact CE-OE1 3.38Å; M24-I60 HydrophobicContact CG-CB 4.47Å; M24-I60 HydrophobicContact CG-CG2 3.85Å; M24-I60 HydrophobicContact SD-CB 4.34Å; M24-I60 HydrophobicContact SD-CG2 3.89Å; M24-D62 HydrophobicContact CB-CB 4.43Å; M24-D62 HydrophobicContact CE-CB 3.95Å; M24-D62 HydrophobicContact SD-CB 3.57Å; M24-D62 VanDerWaalsContact SD-CB 3.57Å
25R93.2Very high89.8Confident52 Ų5253 Ų5320%0.19628%0.281CS..Hα-helixtrans-64.1-40.5-177.2-72178.8-176.3166.24.3112T21 C22 L28 E29 E43T21-R25 HydrophobicContact CG2-CG 4.47Å; T21-R25 WeakPolarHBondContact O-CB 3.4Å; T21-R25 VanDerWaalsContact O-CG 3.31Å; T21-R25 WeakPolarHBondContact O-CG 3.31Å; T21-R25 PolarHBondContact O-N 3.06Å; C22-R25 PolarHBondContact O-N 3.27Å; R25-L28 PolarHBondContact O-N 2.89Å; R25-E29 WeakPolarHBondContact O-CB 3.48Å; R25-E29 PolarHBondContact O-N 3.16Å; R25-E43 IonicContact CZ-OE1 2.64Å; R25-E43 IonicContact CZ-OE2 3.55Å; R25-E43 IonicContact NE-OE1 3.68Å; R25-E43 PolarHBondContact NE-OE1 3.04Å; R25-E43 IonicContact NE-OE2 3.57Å; R25-E43 IonicContact NH2-OE1 3.54Å; R25-E43 IonicContact NH2-OE2 2.72Å; R25-E43 PolarHBondContact NH2-OE2 3.22Å
26W94.9Very high88.3Confident54 Ų5453.4 Ų53.421%0.20529%0.286CS..Hα-helixtrans-62.1-45.9174.2-166.2102.7000110.6C22 L23 M24 L28 G30 A153 G156 V159 L160C22-W26 VanDerWaalsContact O-CB 3.29Å; C22-W26 WeakPolarHBondContact O-CB 3.34Å; C22-W26 PolarHBondContact O-N 2.99Å; L23-W26 PolarHBondContact O-N 3.46Å; M24-W26 PolarHBondContact O-N 3.38Å; W26-L28 VanDerWaalsContact C-N 3.32Å; W26-L28 PolarHBondContact O-N 2.96Å; W26-G30 WeakPolarHBondContact O-CA 3.1Å; W26-G30 PolarHBondContact O-N 2.75Å; W26-A153 VanDerWaalsContact CD1-O 3.3Å; W26-G156 VanDerWaalsContact NE1-CA 3.28Å; W26-V159 HydrophobicContact CB-CG1 4.5Å; W26-V159 HydrophobicContact CD2-CB 4.17Å; W26-V159 HydrophobicContact CD2-CG1 4.26Å; W26-V159 HydrophobicContact CD2-CG2 4.33Å; W26-V159 HydrophobicContact CE3-CB 3.47Å; W26-V159 VanDerWaalsContact CE3-CB 3.47Å; W26-V159 HydrophobicContact CE3-CG1 3.46Å; W26-V159 VanDerWaalsContact CE3-CG1 3.46Å; W26-V159 HydrophobicContact CE3-CG2 4.12Å; W26-V159 HydrophobicContact CZ3-CB 3.75Å; W26-V159 HydrophobicContact CZ3-CG1 4.09Å; W26-L160 HydrophobicContact CZ3-CB 4.41Å
27F96.5Very high87.3Confident3 Ų359.1 Ų59.11%0.01331%0.311CS..Hα-helixtrans-61.5-39.9177.4177.1-105.6000112.5L23 M24 K47 L58 I60 V159 L160 F163L23-F27 WeakPolarHBondContact O-CB 3.17Å; L23-F27 PolarHBondContact O-N 3.44Å; M24-F27 PolarHBondContact O-N 3.37Å; F27-K47 HydrophobicContact CD1-CD 4.26Å; F27-K47 HydrophobicContact CE1-CB 4.05Å; F27-K47 HydrophobicContact CE1-CD 3.85Å; F27-K47 HydrophobicContact CE1-CG 4.26Å; F27-K47 HydrophobicContact CZ-CD 4.09Å; F27-K47 HydrophobicContact CZ-CG 4.5Å; F27-K47 WeakPolarHBondContact O-CD 3.24Å; F27-K47 PolarHBondContact O-NZ 3.01Å; F27-L58 HydrophobicContact CE1-CD1 3.93Å; F27-L58 HydrophobicContact CZ-CD1 3.87Å; F27-I60 HydrophobicContact CD1-CD1 3.5Å; F27-I60 VanDerWaalsContact CD1-CD1 3.5Å; F27-I60 HydrophobicContact CE1-CD1 3.58Å; F27-V159 HydrophobicContact CB-CG1 4.06Å; F27-L160 HydrophobicContact CD2-CD1 4.42Å; F27-L160 HydrophobicContact CE2-CD1 3.94Å; F27-F163 HydrophobicContact CB-CD2 3.72Å; F27-F163 HydrophobicContact CB-CE2 3.49Å; F27-F163 VanDerWaalsContact CB-CE2 3.49Å; F27-F163 HydrophobicContact CB-CG 4.38Å; F27-F163 HydrophobicContact CB-CZ 3.98Å; F27-F163 AromaticContact CD1-CD1 3.85Å; F27-F163 HydrophobicContact CD1-CD1 3.85Å; F27-F163 HydrophobicContact CD1-CD2 4.16Å; F27-F163 AromaticContact CD1-CE1 3.94Å; F27-F163 HydrophobicContact CD1-CE1 3.94Å; F27-F163 HydrophobicContact CD1-CE2 4.25Å; F27-F163 AromaticContact CD1-CG 3.97Å; F27-F163 HydrophobicContact CD1-CG 3.97Å; F27-F163 HydrophobicContact CD1-CZ 4.13Å; F27-F163 HydrophobicContact CD2-CB 3.62Å; F27-F163 HydrophobicContact CD2-CD1 4.22Å; F27-F163 AromaticContact CD2-CD2 3.44Å; F27-F163 HydrophobicContact CD2-CD2 3.44Å; F27-F163 VanDerWaalsContact CD2-CD2 3.44Å; F27-F163 HydrophobicContact CD2-CE2 4.13Å; F27-F163 AromaticContact CD2-CG 3.49Å; F27-F163 HydrophobicContact CD2-CG 3.49Å; F27-F163 VanDerWaalsContact CD2-CG 3.49Å; F27-F163 HydrophobicContact CE1-CB 4.42Å; F27-F163 AromaticContact CE1-CD1 3.89Å; F27-F163 HydrophobicContact CE1-CD1 3.89Å; F27-F163 HydrophobicContact CE1-CE1 4.33Å; F27-F163 HydrophobicContact CE1-CG 4.1Å; F27-F163 HydrophobicContact CE2-CB 3.32Å; F27-F163 HydrophobicContact CE2-CD1 4.25Å; F27-F163 HydrophobicContact CE2-CD2 4.09Å; F27-F163 AromaticContact CE2-CG 3.64Å; F27-F163 HydrophobicContact CE2-CG 3.64Å; F27-F163 HydrophobicContact CG-CB 4.28Å; F27-F163 HydrophobicContact CG-CD1 4.01Å; F27-F163 AromaticContact CG-CD2 3.48Å; F27-F163 HydrophobicContact CG-CD2 3.48Å; F27-F163 VanDerWaalsContact CG-CD2 3.48Å; F27-F163 HydrophobicContact CG-CE1 4.19Å; F27-F163 AromaticContact CG-CE2 3.69Å; F27-F163 HydrophobicContact CG-CE2 3.69Å; F27-F163 AromaticContact CG-CG 3.66Å; F27-F163 HydrophobicContact CG-CG 3.66Å; F27-F163 HydrophobicContact CG-CZ 4.03Å; F27-F163 HydrophobicContact CZ-CB 3.77Å; F27-F163 HydrophobicContact CZ-CD1 4.09Å; F27-F163 AromaticContact CZ-CG 3.95Å; F27-F163 HydrophobicContact CZ-CG 3.95Å
28L94.5Very high86.4Confident40 Ų4062.1 Ų62.121%0.20931%0.313CS..Hα-helixtrans-73.6-50.5-179.5-66.5176.3000112.2M24 R25 W26 K47 I60M24-L28 HydrophobicContact CE-CD1 4.32Å; M24-L28 HydrophobicContact CG-CD1 3.73Å; M24-L28 HydrophobicContact CG-CG 4.23Å; M24-L28 WeakPolarHBondContact O-CB 2.93Å; M24-L28 VanDerWaalsContact O-CG 3.25Å; M24-L28 WeakPolarHBondContact O-CG 3.32Å; M24-L28 PolarHBondContact O-N 3.13Å; M24-L28 HydrophobicContact SD-CD1 4.24Å; R25-L28 PolarHBondContact O-N 2.89Å; W26-L28 VanDerWaalsContact C-N 3.32Å; W26-L28 PolarHBondContact O-N 2.96Å; L28-K47 HydrophobicContact CD2-CB 3.67Å; L28-K47 HydrophobicContact CD2-CD 4.35Å; L28-K47 PolarHBondContact O-NZ 3.14Å; L28-I60 HydrophobicContact CD2-CD1 4.09Å
29E91.7Very high85.2Confident98 Ų9863.7 Ų63.746%0.45832%0.322SS..Hα-helixtrans-107.3-13.6-165.6-55.4-178.5179.600114.4R25 K31 K33R25-E29 WeakPolarHBondContact O-CB 3.48Å; R25-E29 PolarHBondContact O-N 3.16Å; E29-K31 VanDerWaalsContact C-N 3.26Å; E29-K31 PolarHBondContact O-N 2.69Å; E29-K33 IonicContact OE1-NZ 3.62Å; E29-K33 WeakPolarHBondContact OE2-CE 3.42Å; E29-K33 IonicContact OE2-NZ 3.14Å; E29-K33 PolarHBondContact OE2-NZ 2.76Å
30G89.5Confident83.9Confident43 Ų4369.8 Ų69.844%0.44335%0.35SS..SBendtrans71.215.5-176.700000114.5W26W26-G30 WeakPolarHBondContact O-CA 3.1Å; W26-G30 PolarHBondContact O-N 2.75Å
31K83.5Confident82.9Confident145 Ų14570.1 Ų70.163%0.6336%0.357SS*.  trans-136.5140.8-176.5-63.7-178.5-178.21790111E29E29-K31 VanDerWaalsContact C-N 3.26Å; E29-K31 PolarHBondContact O-N 2.69Å
32F84.4Confident82.4Confident77 Ų7771.4 Ų71.434%0.33836%0.364SS..  trans-81.4136168.2-178.6-105.8000110.1C22 Q34 A153 K154C22-F32 HydrophobicContact CB-CD2 4.18Å; C22-F32 HydrophobicContact CB-CE2 3.86Å; F32-Q34 HydrophobicContact CE1-CB 3.9Å; F32-Q34 HydrophobicContact CE1-CG 4.3Å; F32-A153 VanDerWaalsContact CD2-O 3.27Å; F32-A153 WeakPolarHBondContact CD2-O 3.23Å; F32-K154 HydrophobicContact CD1-CG 4.3Å; F32-K154 HydrophobicContact CD2-CB 4.47Å; F32-K154 HydrophobicContact CE1-CG 4.4Å
33K79Confident82.1Confident101 Ų10173.7 Ų73.744%0.43937%0.374SS..  trans-123118.3171.1-71.7178.6178.2155.70108.2E29 D35E29-K33 IonicContact OE1-NZ 3.62Å; E29-K33 WeakPolarHBondContact OE2-CE 3.42Å; E29-K33 IonicContact OE2-NZ 3.14Å; E29-K33 PolarHBondContact OE2-NZ 2.76Å; K33-D35 PolarHBondContact O-N 2.72Å
34Q71Confident81.9Confident162 Ų16278.1 Ų78.176%0.75739%0.393SS*.SBendtrans-70.6-21.7-176.1-167.4166.8-3.500112.8F32 S36F32-Q34 HydrophobicContact CE1-CB 3.9Å; F32-Q34 HydrophobicContact CE1-CG 4.3Å; Q34-S36 PolarHBondContact O-N 3.14Å
35D65.4Low81.8Confident146 Ų14678.6 Ų78.678%0.78140%0.398SS*.  trans-73.533.6-178.8-55.7-31.6000113.8K33 L37K33-D35 PolarHBondContact O-N 2.72Å; D35-L37 VanDerWaalsContact C-N 3.29Å; D35-L37 PolarHBondContact O-N 2.76Å
36S62.1Low81.9Confident47 Ų4779.2 Ų79.233%0.32941%0.408SS..  trans-77.183169.964.50000109.4C22 Q34C22-S36 PolarHBondContact SG-OG 2.7Å; Q34-S36 PolarHBondContact O-N 3.14Å
37L71.5Confident81.9Confident154 Ų15479.9 Ų79.981%0.80641%0.412SS*.  trans-56.8160.6159-71.4166.8000109.7D35 T39D35-L37 VanDerWaalsContact C-N 3.29Å; D35-L37 PolarHBondContact O-N 2.76Å; L37-T39 PolarHBondContact O-N 3.11Å
38H72.6Confident81.9Confident133 Ų13381.6 Ų81.662%0.61642%0.423SS*.  trans-52.1129.6176.5-59.2-66.7000111.2I40H38-I40 PolarHBondContact O-N 2.87Å
39T70.1Confident81.8Confident33 Ų3380.6 Ų80.620%0.20242%0.417CS..  trans-68.3105.4175.7-43.40000109.5T21 L37 G41 A64T21-T39 PolarHBondContact OG1-OG1 2.89Å; L37-T39 PolarHBondContact O-N 3.11Å; T39-G41 PolarHBondContact O-N 3.17Å; T39-A64 VanDerWaalsContact O-CB 3.29Å; T39-A64 WeakPolarHBondContact O-CB 3.44Å
40I67.7Low81.9Confident142 Ų14286.1 Ų86.173%0.72843%0.434SS*.  trans-91.295.1172.2-58.8171.7000106.4H38 F69H38-I40 PolarHBondContact O-N 2.87Å; I40-F69 HydrophobicContact CG2-CE1 4.49Å; I40-F69 HydrophobicContact CG2-CZ 4.15Å
41G73.2Confident81.9Confident17 Ų1784.2 Ų84.218%0.17541%0.414CS..SBendtrans106.4-138.2-178.100000113.5T39 A64T39-G41 PolarHBondContact O-N 3.17Å; G41-A64 WeakPolarHBondContact O-CB 3.5Å; G41-A64 PolarHBondContact O-N 3.3Å
42V83.7Confident82Confident38 Ų3883.4 Ų83.423%0.2342%0.416CS..EExtended strand (participates in β ladder)trans-133.2126.3-174.4-176.80000110W61 D62 T63 Y76V42-W61 HydrophobicContact CG1-CB 4.26Å; V42-W61 HydrophobicContact CG1-CE3 3.69Å; V42-W61 HydrophobicContact CG1-CZ3 4.49Å; V42-D62 CarbonylContact C-O 3.55Å; V42-D62 WeakPolarHBondContact CA-O 3.43Å; V42-D62 VanDerWaalsContact CG1-O 3.22Å; V42-D62 WeakPolarHBondContact CG1-O 3.33Å; V42-T63 HydrophobicContact CG1-CG2 4.34Å; V42-T63 HydrophobicContact CG2-CG2 4.35Å; V42-Y76 HydrophobicContact CB-CD2 4.43Å; V42-Y76 HydrophobicContact CB-CE2 4.09Å; V42-Y76 HydrophobicContact CG1-CD1 4.42Å; V42-Y76 HydrophobicContact CG1-CD2 4.5Å; V42-Y76 HydrophobicContact CG1-CE1 4.46Å; V42-Y76 HydrophobicContact CG1-CG 4.43Å; V42-Y76 HydrophobicContact CG2-CD2 3.58Å; V42-Y76 HydrophobicContact CG2-CE2 3.39Å; V42-Y76 HydrophobicContact CG2-CG 4.29Å
43E88.9Confident82.2Confident60 Ų6084.7 Ų84.728%0.2844%0.435SS..EExtended strand (participates in β ladder)trans-95.2138.8173.4-161.7-179.2137.800108.8T21 M24 R25 D62T21-E43 WeakPolarHBondContact CG2-OE2 3.47Å; M24-E43 HydrophobicContact CE-CB 3.82Å; M24-E43 HydrophobicContact CE-CG 3.57Å; M24-E43 WeakPolarHBondContact CE-OE1 3.38Å; R25-E43 IonicContact CZ-OE1 2.64Å; R25-E43 IonicContact CZ-OE2 3.55Å; R25-E43 IonicContact NE-OE1 3.68Å; R25-E43 PolarHBondContact NE-OE1 3.04Å; R25-E43 IonicContact NE-OE2 3.57Å; R25-E43 IonicContact NH2-OE1 3.54Å; R25-E43 IonicContact NH2-OE2 2.72Å; R25-E43 PolarHBondContact NH2-OE2 3.22Å; E43-D62 HydrophobicContact CB-CB 4.25Å; E43-D62 PolarHBondContact N-O 2.87Å; E43-D62 PolarHBondContact O-N 2.79Å
44F91.4Very high82.7Confident96 Ų9683.3 Ų83.342%0.42143%0.429SS..EExtended strand (participates in β ladder)trans-119.1131.4-178.2173.6-103.2000110.6T46 Q59 I60 W61F44-T46 HydrophobicContact CE1-CG2 3.52Å; F44-T46 HydrophobicContact CE2-CG2 4.19Å; F44-T46 HydrophobicContact CZ-CG2 3.3Å; F44-Q59 HydrophobicContact CE2-CB 3.81Å; F44-Q59 HydrophobicContact CE2-CG 3.94Å; F44-Q59 HydrophobicContact CZ-CB 4.32Å; F44-Q59 HydrophobicContact CZ-CG 3.95Å; F44-I60 WeakPolarHBondContact CA-O 3.23Å; F44-W61 HydrophobicContact CB-CE3 4.38Å; F44-W61 HydrophobicContact CB-CZ3 4.42Å; F44-W61 AromaticContact CD2-CD2 3.78Å; F44-W61 HydrophobicContact CD2-CD2 3.78Å; F44-W61 AromaticContact CD2-CE2 3.58Å; F44-W61 HydrophobicContact CD2-CE3 4.09Å; F44-W61 HydrophobicContact CD2-CG 4.28Å; F44-W61 HydrophobicContact CD2-CH2 4.16Å; F44-W61 AromaticContact CD2-CZ2 3.81Å; F44-W61 HydrophobicContact CD2-CZ2 3.81Å; F44-W61 HydrophobicContact CD2-CZ3 4.27Å; F44-W61 AromaticContact CD2-NE1 3.91Å; F44-W61 HydrophobicContact CE2-CD2 4.43Å; F44-W61 AromaticContact CE2-CE2 3.8Å; F44-W61 AromaticContact CE2-CZ2 3.91Å; F44-W61 HydrophobicContact CE2-CZ2 3.91Å; F44-W61 AromaticContact CE2-NE1 3.82Å
45G93.6Very high83.8Confident9 Ų976.3 Ų76.39%0.09340%0.398CS..EExtended strand (participates in β ladder)trans-135.8156.6174.900000112.2I60G45-I60 PolarHBondContact N-O 3.45Å; G45-I60 PolarHBondContact O-N 3.36Å
46T95.3Very high85.2Confident66 Ų6669.4 Ų69.441%0.40536%0.361SS..EExtended strand (participates in β ladder)trans-132140.9174.166.40000111.7F44 L58 Q59F44-T46 HydrophobicContact CE1-CG2 3.52Å; F44-T46 HydrophobicContact CE2-CG2 4.19Å; F44-T46 HydrophobicContact CZ-CG2 3.3Å; T46-L58 WeakPolarHBondContact CA-O 3.43Å; T46-L58 WeakPolarHBondContact CB-O 3.46Å; T46-Q59 HydrophobicContact CG2-CG 4.34Å
47K95.1Very high86.9Confident67 Ų6769.8 Ų69.829%0.29136%0.357SS..EExtended strand (participates in β ladder)trans-145.6137.6173.1-177.8158.9-177162.80109.9F27 L28 L58F27-K47 HydrophobicContact CD1-CD 4.26Å; F27-K47 HydrophobicContact CE1-CB 4.05Å; F27-K47 HydrophobicContact CE1-CD 3.85Å; F27-K47 HydrophobicContact CE1-CG 4.26Å; F27-K47 HydrophobicContact CZ-CD 4.09Å; F27-K47 HydrophobicContact CZ-CG 4.5Å; F27-K47 WeakPolarHBondContact O-CD 3.24Å; F27-K47 PolarHBondContact O-NZ 3.01Å; L28-K47 HydrophobicContact CD2-CB 3.67Å; L28-K47 HydrophobicContact CD2-CD 4.35Å; L28-K47 PolarHBondContact O-NZ 3.14Å; K47-L58 PolarHBondContact N-O 3.18Å; K47-L58 PolarHBondContact O-N 3.33Å
48V94.7Very high88.1Confident40 Ų4062.4 Ų62.424%0.24232%0.318CS..EExtended strand (participates in β ladder)trans-87.2121.5169.5-177.60000107.7E2 S55 V56 K57E2-V48 HydrophobicContact CB-CG2 4.42Å; E2-V48 WeakPolarHBondContact OE2-CG2 3.38Å; V48-S55 VanDerWaalsContact CG1-OG 3.25Å; V48-S55 WeakPolarHBondContact CG1-OG 3.43Å; V48-V56 CarbonylContact C-O 3.59Å; V48-V56 WeakPolarHBondContact CA-O 3.4Å; V48-K57 HydrophobicContact CG2-CB 4.23Å; V48-K57 HydrophobicContact CG2-CG 4.27Å
49L94Very high89.2Confident19 Ų1958.7 Ų58.710%0.09930%0.301CS..EExtended strand (participates in β ladder)trans-110.7132.9174.7-170.968.4000108.5V51 V56 L58 L160 V167L49-V51 HydrophobicContact CD2-CG2 3.53Å; L49-V51 HydrophobicContact CG-CG2 3.77Å; L49-V56 PolarHBondContact N-O 2.97Å; L49-V56 PolarHBondContact O-N 3.49Å; L49-L58 HydrophobicContact CB-CD1 4.43Å; L49-L160 HydrophobicContact CD1-CD1 4.19Å; L49-V167 HydrophobicContact CD2-CB 4.4Å; L49-V167 HydrophobicContact CD2-CG2 4.02Å
50R92Very high90.4Very high214 Ų21457.1 Ų57.181%0.80829%0.292SS*.EExtended strand (participates in β ladder)trans-92.7118.8167.4-72.5-174.1-179.8174.40.8108.6K54R50-K54 WeakPolarHBondContact CA-O 3.32Å
51V90Very high91.7Very high3 Ų353 Ų532%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-120.6118.2174.8-179.90000106.8L49 S53 K54 T164 V167 R168 L171L49-V51 HydrophobicContact CD2-CG2 3.53Å; L49-V51 HydrophobicContact CG-CG2 3.77Å; V51-S53 PolarHBondContact O-N 3.37Å; V51-S53 VanDerWaalsContact O-N 3.09Å; V51-K54 PolarHBondContact N-O 3.5Å; V51-K54 PolarHBondContact O-N 2.84Å; V51-T164 HydrophobicContact CG2-CG2 4.34Å; V51-V167 HydrophobicContact CB-CG1 4.06Å; V51-V167 HydrophobicContact CG2-CB 4.04Å; V51-V167 HydrophobicContact CG2-CG1 3.58Å; V51-R168 HydrophobicContact CG1-CG 3.39Å; V51-L171 HydrophobicContact CB-CD1 4.46Å
52D86.3Confident92.6Very high127 Ų12752.2 Ų52.268%0.67926%0.259SS*.THydrogen-bonded Turntrans55.7-108.3-173.9-44.1-37.6000111.4R168D52-R168 IonicContact OD1-NE 2.71Å; D52-R168 IonicContact OD1-NH2 3.45Å; D52-R168 PolarHBondContact OD1-NH2 3.12Å
53S87.9Confident92.6Very high105 Ų10550.4 Ų50.473%0.73425%0.248SC*.THydrogen-bonded Turntrans-107.78.4177.5620000114.3V51V51-S53 PolarHBondContact O-N 3.37Å; V51-S53 VanDerWaalsContact O-N 3.09Å
54K90.8Very high92.3Very high71 Ų7147.6 Ų47.631%0.30923%0.234SC..EExtended strand (participates in β ladder)trans-112.7135.8-174.4-56.4-56.3-175.6-179.80111.9D5 Y6 R50 V51 V56 L171D5-K54 WeakPolarHBondContact OD2-CA 3.26Å; Y6-K54 HydrophobicContact CD2-CB 4.34Å; Y6-K54 HydrophobicContact CE2-CB 4.2Å; Y6-K54 HydrophobicContact CE2-CD 4Å; Y6-K54 HydrophobicContact CE2-CG 4.02Å; R50-K54 WeakPolarHBondContact CA-O 3.32Å; V51-K54 PolarHBondContact N-O 3.5Å; V51-K54 PolarHBondContact O-N 2.84Å; K54-V56 HydrophobicContact CB-CG2 4.42Å; K54-L171 HydrophobicContact CB-CD1 4.31Å
55S93.6Very high91.5Very high16 Ų1643.5 Ų43.511%0.11222%0.219CC..EExtended strand (participates in β ladder)trans-93.1116.9171.3-175.90000109.1R3 D5 Y6 V48R3-S55 PolarHBondContact O-OG 3.08Å; D5-S55 PolarHBondContact N-O 2.95Å; D5-S55 PolarHBondContact OD2-N 3.41Å; Y6-S55 PolarHBondContact N-O 3.07Å; V48-S55 VanDerWaalsContact CG1-OG 3.25Å; V48-S55 WeakPolarHBondContact CG1-OG 3.43Å
56V95.6Very high90.8Very high0 Ų046 Ų460%023%0.229CC..EExtended strand (participates in β ladder)trans-118.9117.3-174.6-174.80000109.4Y6 L8 V48 L49 K54 L58 V167 L171Y6-V56 HydrophobicContact CD2-CG2 4.34Å; L8-V56 HydrophobicContact CB-CG1 4.37Å; L8-V56 HydrophobicContact CD1-CG1 3.55Å; L8-V56 HydrophobicContact CG-CG1 3.72Å; V48-V56 CarbonylContact C-O 3.59Å; V48-V56 WeakPolarHBondContact CA-O 3.4Å; L49-V56 PolarHBondContact N-O 2.97Å; L49-V56 PolarHBondContact O-N 3.49Å; K54-V56 HydrophobicContact CB-CG2 4.42Å; V56-L58 HydrophobicContact CG1-CD2 3.64Å; V56-V167 HydrophobicContact CB-CG1 4.18Å; V56-V167 HydrophobicContact CG1-CG1 4.18Å; V56-V167 HydrophobicContact CG2-CG1 3.88Å; V56-L171 HydrophobicContact CG2-CD1 4Å; V56-L171 HydrophobicContact CG2-CD2 4.18Å; V56-L171 HydrophobicContact CG2-CG 4.47Å
57K96.2Very high89.5Confident55 Ų5550.3 Ų50.324%0.23924%0.244CC..EExtended strand (participates in β ladder)trans-83.8114.9170.2-174.8171.7-176.7178.60109.2Y4 Y6 L7 L8 V48Y4-K57 HydrophobicContact CD1-CB 3.71Å; Y4-K57 HydrophobicContact CD1-CD 3.71Å; Y4-K57 HydrophobicContact CD1-CG 4.34Å; Y4-K57 HydrophobicContact CD2-CB 3.86Å; Y4-K57 HydrophobicContact CE1-CB 4.14Å; Y4-K57 HydrophobicContact CE1-CD 3.46Å; Y4-K57 VanDerWaalsContact CE1-CD 3.46Å; Y4-K57 HydrophobicContact CE1-CG 4.44Å; Y4-K57 HydrophobicContact CE2-CB 4.26Å; Y4-K57 HydrophobicContact CG-CB 3.55Å; Y4-K57 HydrophobicContact CG-CD 4.4Å; Y6-K57 PolarHBondContact O-N 2.99Å; L7-K57 WeakPolarHBondContact CA-O 3.49Å; L7-K57 HydrophobicContact CD1-CB 4.01Å; L7-K57 HydrophobicContact CD1-CD 4.07Å; L7-K57 HydrophobicContact CD1-CG 3.9Å; L8-K57 PolarHBondContact N-O 3.17Å; V48-K57 HydrophobicContact CG2-CB 4.23Å; V48-K57 HydrophobicContact CG2-CG 4.27Å
58L96.4Very high88.6Confident0 Ų056.3 Ų56.30%027%0.265CS..EExtended strand (participates in β ladder)trans-89.2134.4174.7-55-178.9000110.3L8 F10 F27 T46 K47 L49 V56 I60 V167L8-L58 HydrophobicContact CB-CD2 4.05Å; L8-L58 HydrophobicContact CD1-CD2 4.38Å; F10-L58 HydrophobicContact CD1-CD2 4.47Å; F10-L58 HydrophobicContact CE1-CD2 4.13Å; F10-L58 HydrophobicContact CE2-CD1 4.36Å; F10-L58 HydrophobicContact CE2-CD2 4.19Å; F10-L58 HydrophobicContact CZ-CD2 3.99Å; F27-L58 HydrophobicContact CE1-CD1 3.93Å; F27-L58 HydrophobicContact CZ-CD1 3.87Å; T46-L58 WeakPolarHBondContact CA-O 3.43Å; T46-L58 WeakPolarHBondContact CB-O 3.46Å; K47-L58 PolarHBondContact N-O 3.18Å; K47-L58 PolarHBondContact O-N 3.33Å; L49-L58 HydrophobicContact CB-CD1 4.43Å; V56-L58 HydrophobicContact CG1-CD2 3.64Å; L58-I60 HydrophobicContact CB-CD1 4.4Å; L58-I60 HydrophobicContact CB-CG1 4.11Å; L58-V167 HydrophobicContact CD1-CG2 3.8Å; L58-V167 HydrophobicContact CD2-CG2 3.57Å; L58-V167 HydrophobicContact CG-CG2 4.25Å
59Q96.3Very high87.8Confident55 Ų5556 Ų5626%0.25726%0.26SS..EExtended strand (participates in β ladder)trans-107.1105.2165.7-77.5-172.3-22.600107.7L7 L8 K9 F10 F44 T46L7-Q59 HydrophobicContact CD1-CG 3.8Å; L8-Q59 PolarHBondContact O-N 2.94Å; K9-Q59 WeakPolarHBondContact CA-O 3.27Å; F10-Q59 PolarHBondContact N-O 3.37Å; F44-Q59 HydrophobicContact CE2-CB 3.81Å; F44-Q59 HydrophobicContact CE2-CG 3.94Å; F44-Q59 HydrophobicContact CZ-CB 4.32Å; F44-Q59 HydrophobicContact CZ-CG 3.95Å; T46-Q59 HydrophobicContact CG2-CG 4.34Å
60I96Very high86.9Confident0 Ų058.1 Ų58.10%027%0.27CS..EExtended strand (participates in β ladder)trans-104125.2-174.3-53.9170.6000108.4F10 I12 M24 F27 L28 F44 G45 L58 F163F10-I60 HydrophobicContact CB-CG1 4.44Å; F10-I60 WeakPolarHBondContact O-CA 3.42Å; I12-I60 HydrophobicContact CD1-CG2 3.62Å; I12-I60 HydrophobicContact CG1-CG2 3.92Å; M24-I60 HydrophobicContact CG-CB 4.47Å; M24-I60 HydrophobicContact CG-CG2 3.85Å; M24-I60 HydrophobicContact SD-CB 4.34Å; M24-I60 HydrophobicContact SD-CG2 3.89Å; F27-I60 HydrophobicContact CD1-CD1 3.5Å; F27-I60 VanDerWaalsContact CD1-CD1 3.5Å; F27-I60 HydrophobicContact CE1-CD1 3.58Å; L28-I60 HydrophobicContact CD2-CD1 4.09Å; F44-I60 WeakPolarHBondContact CA-O 3.23Å; G45-I60 PolarHBondContact N-O 3.45Å; G45-I60 PolarHBondContact O-N 3.36Å; L58-I60 HydrophobicContact CB-CD1 4.4Å; L58-I60 HydrophobicContact CB-CG1 4.11Å; I60-F163 HydrophobicContact CD1-CD1 4.25Å; I60-F163 HydrophobicContact CD1-CE1 3.69Å; I60-F163 HydrophobicContact CD1-CZ 4.42Å; I60-F163 HydrophobicContact CG1-CE1 4.34Å; I60-F163 HydrophobicContact CG2-CE1 4.41Å
61W94.6Very high86.2Confident56 Ų5653.2 Ų53.221%0.21227%0.267CS..EExtended strand (participates in β ladder)trans-113.6101.6179-63.884.1000108.3F10 L11 I12 V42 F44 Y76F10-W61 PolarHBondContact O-N 2.95Å; L11-W61 WeakPolarHBondContact CA-O 3.41Å; L11-W61 HydrophobicContact CD2-CB 3.8Å; I12-W61 PolarHBondContact N-O 2.77Å; V42-W61 HydrophobicContact CG1-CB 4.26Å; V42-W61 HydrophobicContact CG1-CE3 3.69Å; V42-W61 HydrophobicContact CG1-CZ3 4.49Å; F44-W61 HydrophobicContact CB-CE3 4.38Å; F44-W61 HydrophobicContact CB-CZ3 4.42Å; F44-W61 AromaticContact CD2-CD2 3.78Å; F44-W61 HydrophobicContact CD2-CD2 3.78Å; F44-W61 AromaticContact CD2-CE2 3.58Å; F44-W61 HydrophobicContact CD2-CE3 4.09Å; F44-W61 HydrophobicContact CD2-CG 4.28Å; F44-W61 HydrophobicContact CD2-CH2 4.16Å; F44-W61 AromaticContact CD2-CZ2 3.81Å; F44-W61 HydrophobicContact CD2-CZ2 3.81Å; F44-W61 HydrophobicContact CD2-CZ3 4.27Å; F44-W61 AromaticContact CD2-NE1 3.91Å; F44-W61 HydrophobicContact CE2-CD2 4.43Å; F44-W61 AromaticContact CE2-CE2 3.8Å; F44-W61 AromaticContact CE2-CZ2 3.91Å; F44-W61 HydrophobicContact CE2-CZ2 3.91Å; F44-W61 AromaticContact CE2-NE1 3.82Å; W61-Y76 HydrophobicContact CD2-CD1 4.22Å; W61-Y76 AromaticContact CE3-CD1 3.5Å; W61-Y76 HydrophobicContact CE3-CD1 3.5Å; W61-Y76 VanDerWaalsContact CE3-CD1 3.5Å; W61-Y76 AromaticContact CE3-CE1 3.8Å; W61-Y76 HydrophobicContact CE3-CE1 3.8Å; W61-Y76 HydrophobicContact CE3-CG 4.41Å; W61-Y76 HydrophobicContact CH2-CD1 4.21Å; W61-Y76 HydrophobicContact CH2-CE1 4.18Å; W61-Y76 AromaticContact CZ3-CD1 3.49Å; W61-Y76 HydrophobicContact CZ3-CD1 3.49Å; W61-Y76 VanDerWaalsContact CZ3-CD1 3.49Å; W61-Y76 AromaticContact CZ3-CE1 3.39Å; W61-Y76 HydrophobicContact CZ3-CE1 3.39Å
62D91.4Very high85.5Confident0 Ų057 Ų570%029%0.286CS..EExtended strand (participates in β ladder)trans-83.5127.3172.6172.245.3000109.7K20 T21 M24 V42 E43K20-D62 WeakPolarHBondContact CB-OD1 3.43Å; T21-D62 VanDerWaalsContact CA-OD2 3.26Å; T21-D62 WeakPolarHBondContact CA-OD2 3.29Å; T21-D62 VanDerWaalsContact CB-OD2 3.23Å; T21-D62 WeakPolarHBondContact CB-OD2 3.36Å; T21-D62 PolarHBondContact N-OD1 3.38Å; T21-D62 PolarHBondContact OG1-OD2 3.1Å; M24-D62 HydrophobicContact CB-CB 4.43Å; M24-D62 HydrophobicContact CE-CB 3.95Å; M24-D62 HydrophobicContact SD-CB 3.57Å; M24-D62 VanDerWaalsContact SD-CB 3.57Å; V42-D62 CarbonylContact C-O 3.55Å; V42-D62 WeakPolarHBondContact CA-O 3.43Å; V42-D62 VanDerWaalsContact CG1-O 3.22Å; V42-D62 WeakPolarHBondContact CG1-O 3.33Å; E43-D62 HydrophobicContact CB-CB 4.25Å; E43-D62 PolarHBondContact N-O 2.87Å; E43-D62 PolarHBondContact O-N 2.79Å
63T85.1Confident85.2Confident0 Ų051 Ų510%025%0.254CS..EExtended strand (participates in β ladder)trans-114.2151.5-168.464.80000112.5L11 I12 I13 K20 V42 G65 T73L11-T63 HydrophobicContact CD2-CG2 4.28Å; I12-T63 PolarHBondContact O-N 3.11Å; I12-T63 PolarHBondContact O-OG1 3.49Å; I13-T63 HydrophobicContact CG2-CG2 4.43Å; K20-T63 WeakPolarHBondContact CE-O 3.29Å; V42-T63 HydrophobicContact CG1-CG2 4.34Å; V42-T63 HydrophobicContact CG2-CG2 4.35Å; T63-G65 PolarHBondContact O-N 3.33Å; T63-T73 HydrophobicContact CG2-CG2 3.89Å
64A82Confident84.9Confident0 Ų050.8 Ų50.80%024%0.237CC..  trans-60.6130.3170.700000110.9T39 G41 F69 T73T39-A64 VanDerWaalsContact O-CB 3.29Å; T39-A64 WeakPolarHBondContact O-CB 3.44Å; G41-A64 WeakPolarHBondContact O-CB 3.5Å; G41-A64 PolarHBondContact O-N 3.3Å; A64-F69 HydrophobicContact CB-CB 3.69Å; A64-F69 HydrophobicContact CB-CD2 3.87Å; A64-F69 HydrophobicContact CB-CG 4.09Å; A64-T73 PolarHBondContact O-OG1 2.92Å
65G74.5Confident84.7Confident10 Ų1051.4 Ų51.410%0.10325%0.25CS..  trans-93.30.6179.500000115G14 A16 T63G14-G65 WeakPolarHBondContact O-CA 3.13Å; A16-G65 PolarHBondContact N-O 3.01Å; A16-G65 VanDerWaalsContact N-O 3.09Å; T63-G65 PolarHBondContact O-N 3.33Å
66Q78.4Confident84.3Confident62 Ų6254 Ų5429%0.2926%0.259SS..SBendtrans-84.7139.3176.5-60.5-170.116.900110.6A16 R68 F69A16-Q66 HydrophobicContact CB-CG 3.8Å; Q66-R68 VanDerWaalsContact C-N 3.29Å; Q66-R68 HydrophobicContact CB-CG 4.02Å; Q66-R68 PolarHBondContact O-N 2.96Å; Q66-F69 HydrophobicContact CB-CD2 3.93Å; Q66-F69 HydrophobicContact CB-CE2 4.39Å; Q66-F69 PolarHBondContact O-N 3.41Å
67E68.8Low84.1Confident156 Ų15654.1 Ų54.173%0.72926%0.259SS*.G310 helixtrans-52.6-44.7-178.8-169.6-177.3179.200112.9F69 Q70E67-F69 PolarHBondContact O-N 3.09Å; E67-Q70 VanDerWaalsContact O-CB 3.28Å; E67-Q70 WeakPolarHBondContact O-CB 3.39Å; E67-Q70 WeakPolarHBondContact O-CG 3.46Å; E67-Q70 PolarHBondContact O-N 2.71Å
68R75.7Confident83.8Confident194 Ų19460.9 Ų60.973%0.73228%0.283SS*.G310 helixtrans-57.5-14.2177.457.5-179.7-71.1174.4-0.7115.3Q66Q66-R68 VanDerWaalsContact C-N 3.29Å; Q66-R68 HydrophobicContact CB-CG 4.02Å; Q66-R68 PolarHBondContact O-N 2.96Å
69F78Confident83.5Confident34 Ų3461.8 Ų61.815%0.14929%0.292CS..G310 helixtrans-108.51.8175.5-58.6-56.5000113.5I40 A64 Q66 E67 C71 I72 T73I40-F69 HydrophobicContact CG2-CE1 4.49Å; I40-F69 HydrophobicContact CG2-CZ 4.15Å; A64-F69 HydrophobicContact CB-CB 3.69Å; A64-F69 HydrophobicContact CB-CD2 3.87Å; A64-F69 HydrophobicContact CB-CG 4.09Å; Q66-F69 HydrophobicContact CB-CD2 3.93Å; Q66-F69 HydrophobicContact CB-CE2 4.39Å; Q66-F69 PolarHBondContact O-N 3.41Å; E67-F69 PolarHBondContact O-N 3.09Å; F69-C71 VanDerWaalsContact C-N 3.27Å; F69-C71 PolarHBondContact O-N 2.76Å; F69-I72 HydrophobicContact CD1-CD1 4.35Å; F69-I72 WeakPolarHBondContact O-CB 3.21Å; F69-I72 PolarHBondContact O-N 3.44Å; F69-T73 PolarHBondContact O-N 2.77Å; F69-T73 PolarHBondContact O-OG1 2.9Å
70Q74.9Confident83.4Confident62 Ų6259.1 Ų59.129%0.2928%0.28SS..Hα-helixtrans-58.5-35.3-175.9-80.4-177.58.500113.4E67 I72 T73 R74 W101E67-Q70 VanDerWaalsContact O-CB 3.28Å; E67-Q70 WeakPolarHBondContact O-CB 3.39Å; E67-Q70 WeakPolarHBondContact O-CG 3.46Å; E67-Q70 PolarHBondContact O-N 2.71Å; Q70-I72 VanDerWaalsContact C-N 3.28Å; Q70-I72 PolarHBondContact O-N 2.75Å; Q70-T73 PolarHBondContact O-N 3.36Å; Q70-R74 WeakPolarHBondContact O-CB 3.42Å; Q70-R74 WeakPolarHBondContact O-CG 3.22Å; Q70-R74 PolarHBondContact O-N 3.37Å; Q70-W101 HydrophobicContact CG-CH2 4.23Å
71C77.2Confident83.4Confident111 Ų11159.1 Ų59.175%0.7528%0.28SS*.Hα-helixtrans-60.4-39.7176-171.80000112.1F69F69-C71 VanDerWaalsContact C-N 3.27Å; F69-C71 PolarHBondContact O-N 2.76Å
72I75.5Confident83.5Confident82 Ų8256.5 Ų56.542%0.42127%0.27SS..Hα-helixtrans-68.2-48.7176.4-63.1173.2000108.9F69 Q70 R74 S75 Y76F69-I72 HydrophobicContact CD1-CD1 4.35Å; F69-I72 WeakPolarHBondContact O-CB 3.21Å; F69-I72 PolarHBondContact O-N 3.44Å; Q70-I72 VanDerWaalsContact C-N 3.28Å; Q70-I72 PolarHBondContact O-N 2.75Å; I72-R74 VanDerWaalsContact C-N 3.32Å; I72-R74 PolarHBondContact O-N 3.46Å; I72-S75 WeakPolarHBondContact O-CB 3.46Å; I72-S75 PolarHBondContact O-N 3.34Å; I72-S75 VanDerWaalsContact O-N 3.12Å; I72-S75 PolarHBondContact O-OG 3.1Å; I72-Y76 HydrophobicContact CG2-CE2 3.93Å; I72-Y76 WeakPolarHBondContact O-CD2 3.5Å; I72-Y76 WeakPolarHBondContact O-CE2 3.37Å
73T79.5Confident83.8Confident1 Ų156.5 Ų56.51%0.00627%0.27CS..Hα-helixtrans-54.1-45.5178.5-63.50000112.4T63 A64 F69 Q70 S75 Y76 Y77 W101T63-T73 HydrophobicContact CG2-CG2 3.89Å; A64-T73 PolarHBondContact O-OG1 2.92Å; F69-T73 PolarHBondContact O-N 2.77Å; F69-T73 PolarHBondContact O-OG1 2.9Å; Q70-T73 PolarHBondContact O-N 3.36Å; T73-S75 VanDerWaalsContact C-N 3.28Å; T73-S75 PolarHBondContact O-N 3.44Å; T73-Y76 PolarHBondContact O-N 2.8Å; T73-Y76 VanDerWaalsContact O-N 3.07Å; T73-Y77 HydrophobicContact CG2-CE1 3.51Å; T73-Y77 WeakPolarHBondContact CG2-OH 3.44Å; T73-Y77 WeakPolarHBondContact O-CD1 3.49Å; T73-Y77 WeakPolarHBondContact O-CE1 3.4Å; T73-W101 HydrophobicContact CG2-CZ3 4.26Å
74R83.3Confident84.4Confident101 Ų10156.5 Ų56.538%0.38127%0.27SS..Hα-helixtrans-61.6-30.5-180-75.7179.484.7-170.26.1113.6Q70 I72 Y76 Y77 E107 L108Q70-R74 WeakPolarHBondContact O-CB 3.42Å; Q70-R74 WeakPolarHBondContact O-CG 3.22Å; Q70-R74 PolarHBondContact O-N 3.37Å; I72-R74 VanDerWaalsContact C-N 3.32Å; I72-R74 PolarHBondContact O-N 3.46Å; R74-Y76 PolarHBondContact O-N 3.23Å; R74-Y77 HydrophobicContact CB-CD2 4.4Å; R74-Y77 HydrophobicContact CB-CE2 4.47Å; R74-Y77 HydrophobicContact CG-CD2 4.14Å; R74-Y77 HydrophobicContact CG-CE2 3.81Å; R74-Y77 WeakPolarHBondContact O-CB 3.44Å; R74-Y77 PolarHBondContact O-N 3.1Å; R74-Y77 VanDerWaalsContact O-N 3.12Å; R74-E107 IonicContact CZ-OE2 3.31Å; R74-E107 IonicContact NH2-OE2 3.64Å; R74-E107 PolarHBondContact NH2-OE2 2.88Å; R74-L108 HydrophobicContact CB-CD1 3.69Å; R74-L108 HydrophobicContact CG-CD1 4.06Å
75S85.5Confident85.2Confident84 Ų8456.6 Ų56.659%0.58727%0.27SS*.Hα-helixtrans-63.2-21.9176.5740000113.4I72 T73I72-S75 WeakPolarHBondContact O-CB 3.46Å; I72-S75 PolarHBondContact O-N 3.34Å; I72-S75 VanDerWaalsContact O-N 3.12Å; I72-S75 PolarHBondContact O-OG 3.1Å; T73-S75 VanDerWaalsContact C-N 3.28Å; T73-S75 PolarHBondContact O-N 3.44Å
76Y85.9Confident86.4Confident72 Ų7256.1 Ų56.128%0.28227%0.266SS..THydrogen-bonded Turntrans-89.2-6178.4-63.6-86.5000113.5K9 V42 W61 I72 T73 R74 R78K9-Y76 WeakPolarHBondContact CE-O 3.48Å; K9-Y76 PolarHBondContact NZ-O 3.49Å; V42-Y76 HydrophobicContact CB-CD2 4.43Å; V42-Y76 HydrophobicContact CB-CE2 4.09Å; V42-Y76 HydrophobicContact CG1-CD1 4.42Å; V42-Y76 HydrophobicContact CG1-CD2 4.5Å; V42-Y76 HydrophobicContact CG1-CE1 4.46Å; V42-Y76 HydrophobicContact CG1-CG 4.43Å; V42-Y76 HydrophobicContact CG2-CD2 3.58Å; V42-Y76 HydrophobicContact CG2-CE2 3.39Å; V42-Y76 HydrophobicContact CG2-CG 4.29Å; W61-Y76 HydrophobicContact CD2-CD1 4.22Å; W61-Y76 AromaticContact CE3-CD1 3.5Å; W61-Y76 HydrophobicContact CE3-CD1 3.5Å; W61-Y76 VanDerWaalsContact CE3-CD1 3.5Å; W61-Y76 AromaticContact CE3-CE1 3.8Å; W61-Y76 HydrophobicContact CE3-CE1 3.8Å; W61-Y76 HydrophobicContact CE3-CG 4.41Å; W61-Y76 HydrophobicContact CH2-CD1 4.21Å; W61-Y76 HydrophobicContact CH2-CE1 4.18Å; W61-Y76 AromaticContact CZ3-CD1 3.49Å; W61-Y76 HydrophobicContact CZ3-CD1 3.49Å; W61-Y76 VanDerWaalsContact CZ3-CD1 3.49Å; W61-Y76 AromaticContact CZ3-CE1 3.39Å; W61-Y76 HydrophobicContact CZ3-CE1 3.39Å; I72-Y76 HydrophobicContact CG2-CE2 3.93Å; I72-Y76 WeakPolarHBondContact O-CD2 3.5Å; I72-Y76 WeakPolarHBondContact O-CE2 3.37Å; T73-Y76 PolarHBondContact O-N 2.8Å; T73-Y76 VanDerWaalsContact O-N 3.07Å; R74-Y76 PolarHBondContact O-N 3.23Å; Y76-R78 PolarHBondContact O-N 3.47Å
77Y90.2Very high87.3Confident2 Ų253.2 Ų53.21%0.00825%0.252CS..  trans-69.2-33.2-173.6-70.7-1.9000113.8L11 I13 T73 R74 G79 A80 W101 S104 V105 L108 A109L11-Y77 HydrophobicContact CD1-CD1 3.68Å; L11-Y77 HydrophobicContact CD1-CE1 4.3Å; L11-Y77 HydrophobicContact CD1-CG 4.33Å; L11-Y77 HydrophobicContact CD2-CD1 4.28Å; I13-Y77 HydrophobicContact CG2-CE1 3.9Å; T73-Y77 HydrophobicContact CG2-CE1 3.51Å; T73-Y77 WeakPolarHBondContact CG2-OH 3.44Å; T73-Y77 WeakPolarHBondContact O-CD1 3.49Å; T73-Y77 WeakPolarHBondContact O-CE1 3.4Å; R74-Y77 HydrophobicContact CB-CD2 4.4Å; R74-Y77 HydrophobicContact CB-CE2 4.47Å; R74-Y77 HydrophobicContact CG-CD2 4.14Å; R74-Y77 HydrophobicContact CG-CE2 3.81Å; R74-Y77 WeakPolarHBondContact O-CB 3.44Å; R74-Y77 PolarHBondContact O-N 3.1Å; R74-Y77 VanDerWaalsContact O-N 3.12Å; Y77-G79 PolarHBondContact O-N 3.43Å; Y77-A80 WeakPolarHBondContact O-CB 3.44Å; Y77-A80 PolarHBondContact O-N 3.3Å; Y77-W101 WeakPolarHBondContact OH-CZ3 3.36Å; Y77-S104 WeakPolarHBondContact CD2-O 3.42Å; Y77-V105 HydrophobicContact CD1-CG2 4.29Å; Y77-V105 HydrophobicContact CD2-CB 4.1Å; Y77-V105 HydrophobicContact CD2-CG2 4.13Å; Y77-V105 HydrophobicContact CE2-CB 3.99Å; Y77-V105 HydrophobicContact CE2-CG2 4.37Å; Y77-V105 HydrophobicContact CG-CG2 4.07Å; Y77-L108 HydrophobicContact CD2-CB 4.16Å; Y77-L108 HydrophobicContact CD2-CD1 3.96Å; Y77-L108 HydrophobicContact CG-CB 4.43Å; Y77-A109 WeakPolarHBondContact O-CA 3.28Å
78R90.2Very high88.7Confident196 Ų19646.1 Ų46.174%0.7422%0.219SC*.THydrogen-bonded Turntrans-54.8132.1-179.3-96.7-174.5172.7120.9-0.4112.7K9 Y76 A80 L108K9-R78 PolarHBondContact NZ-O 2.94Å; Y76-R78 PolarHBondContact O-N 3.47Å; R78-A80 VanDerWaalsContact C-N 3.26Å; R78-A80 PolarHBondContact O-N 3.2Å; R78-L108 WeakPolarHBondContact CA-O 3.43Å; R78-L108 WeakPolarHBondContact CG-O 3.42Å
79G90.3Very high89.8Confident19 Ų1937.1 Ų37.120%0.19619%0.185CC..THydrogen-bonded Turntrans76.13.5176.100000115.3Y77 A81 Y185Y77-G79 PolarHBondContact O-N 3.43Å; G79-A81 PolarHBondContact O-N 3.24Å; G79-Y185 PolarHBondContact O-OH 3.22Å
80A94.6Very high90.8Very high0 Ų036.8 Ų36.80%019%0.186CC..  trans-67.4129.117200000110.7K9 L11 Y77 R78 A109 L113K9-A80 HydrophobicContact CG-CB 4.43Å; K9-A80 WeakPolarHBondContact O-CA 3.25Å; L11-A80 HydrophobicContact CD1-CB 3.29Å; L11-A80 HydrophobicContact CG-CB 3.78Å; Y77-A80 WeakPolarHBondContact O-CB 3.44Å; Y77-A80 PolarHBondContact O-N 3.3Å; R78-A80 VanDerWaalsContact C-N 3.26Å; R78-A80 PolarHBondContact O-N 3.2Å; A80-A109 HydrophobicContact CB-CB 4.35Å; A80-L113 HydrophobicContact CB-CD1 4.26Å; A80-L113 WeakPolarHBondContact O-CD1 3.22Å
81A95.4Very high91.9Very high0 Ų036.1 Ų36.10%019%0.185CC..SBendtrans-84.8-30.3172.400000111.5K9 G79 T114 V170 Y185K9-A81 PolarHBondContact O-N 3.07Å; G79-A81 PolarHBondContact O-N 3.24Å; A81-T114 PolarHBondContact O-N 2.89Å; A81-V170 HydrophobicContact CB-CG1 3.73Å; A81-V170 HydrophobicContact CB-CG2 4.08Å; A81-Y185 WeakPolarHBondContact CA-OH 3.27Å; A81-Y185 HydrophobicContact CB-CE2 4.32Å; A81-Y185 WeakPolarHBondContact CB-OH 3.42Å; A81-Y185 PolarHBondContact N-OH 3.29Å; A81-Y185 VanDerWaalsContact N-OH 3.14Å
82C97.3Very high92.9Very high0 Ų034 Ų340%016%0.161CC..EExtended strand (participates in β ladder)trans-138.7143.4-178.2-170.90000111.5K9 F10 L11 T114 V170K9-C82 PolarHBondContact O-N 3.27Å; F10-C82 WeakPolarHBondContact CA-O 3.42Å; F10-C82 HydrophobicContact CD1-CB 3.55Å; F10-C82 HydrophobicContact CD2-CB 4.21Å; F10-C82 HydrophobicContact CE1-CB 3.51Å; F10-C82 HydrophobicContact CE2-CB 4.2Å; F10-C82 HydrophobicContact CG-CB 3.9Å; F10-C82 HydrophobicContact CZ-CB 3.84Å; L11-C82 PolarHBondContact N-O 2.92Å; C82-T114 CarbonylContact C-O 3.59Å; C82-T114 WeakPolarHBondContact CA-O 3.4Å; C82-V170 HydrophobicContact CB-CG2 4.02Å
83A97.6Very high94Very high0 Ų037.1 Ų37.10%017%0.174CC..EExtended strand (participates in β ladder)trans-120123.216700000109.8L11 I13 V85 V105 L113 T114 V115 I116L11-A83 WeakPolarHBondContact O-CA 3.35Å; I13-A83 HydrophobicContact CD1-CB 4.36Å; A83-V85 HydrophobicContact CB-CG2 4.41Å; A83-V105 HydrophobicContact CB-CG1 4.13Å; A83-V105 HydrophobicContact CB-CG2 4.12Å; A83-L113 HydrophobicContact CB-CD1 4.21Å; A83-L113 HydrophobicContact CB-CD2 4.18Å; A83-T114 PolarHBondContact N-O 2.7Å; A83-V115 WeakPolarHBondContact O-CA 2.92Å; A83-I116 PolarHBondContact O-N 3.39Å
84L98.6Very high94.9Very high1 Ų137.1 Ų37.11%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-89.2110.5166.2-69.478.4000106.7F10 L11 I12 I13 I118 F163F10-L84 HydrophobicContact CB-CD1 4.41Å; F10-L84 HydrophobicContact CD2-CD1 3.87Å; F10-L84 HydrophobicContact CG-CD1 4.47Å; L11-L84 PolarHBondContact O-N 2.86Å; I12-L84 WeakPolarHBondContact CA-O 3.3Å; I12-L84 HydrophobicContact CG1-CB 4.35Å; I12-L84 HydrophobicContact CG2-CB 4.4Å; I13-L84 PolarHBondContact N-O 2.91Å; L84-I118 HydrophobicContact CB-CD1 4.04Å; L84-I118 HydrophobicContact CD2-CD1 3.74Å; L84-I118 HydrophobicContact CG-CD1 4.13Å; L84-F163 HydrophobicContact CD1-CE1 4.38Å; L84-F163 HydrophobicContact CD2-CD1 4.06Å; L84-F163 HydrophobicContact CD2-CD2 4.19Å; L84-F163 HydrophobicContact CD2-CE1 3.7Å; L84-F163 HydrophobicContact CD2-CE2 3.84Å; L84-F163 HydrophobicContact CD2-CG 4.3Å; L84-F163 HydrophobicContact CD2-CZ 3.58Å
85V98.3Very high95.6Very high1 Ų133.6 Ų33.61%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-99.8115.9-178.7-174.20000108I13 A83 V98 W101 I102 V115 I116 L117 I118I13-V85 HydrophobicContact CD1-CG2 3.94Å; I13-V85 HydrophobicContact CG1-CB 4.4Å; I13-V85 HydrophobicContact CG1-CG1 4.46Å; I13-V85 HydrophobicContact CG1-CG2 3.82Å; A83-V85 HydrophobicContact CB-CG2 4.41Å; V85-V98 HydrophobicContact CG1-CG1 4.13Å; V85-V98 HydrophobicContact CG1-CG2 4.42Å; V85-W101 HydrophobicContact CG1-CB 4.05Å; V85-I102 HydrophobicContact CB-CG1 4.42Å; V85-I102 HydrophobicContact CG1-CG1 4.24Å; V85-I102 HydrophobicContact CG2-CG1 3.85Å; V85-V115 HydrophobicContact CG2-CG1 3.9Å; V85-I116 PolarHBondContact N-O 3.09Å; V85-L117 HydrophobicContact CB-CD1 4.24Å; V85-L117 HydrophobicContact CG1-CD1 4.28Å; V85-I118 PolarHBondContact O-N 3.47Å
86V98.5Very high96.2Very high1 Ų134.6 Ų34.61%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-115.2122.8-167.1-170.20000110.6I12 I13 G14 T18 K20 L23 I118 N120I12-V86 HydrophobicContact CG2-CG2 3.67Å; I13-V86 PolarHBondContact O-N 3.24Å; G14-V86 WeakPolarHBondContact CA-O 3.28Å; T18-V86 PolarHBondContact OG1-O 2.88Å; K20-V86 HydrophobicContact CG-CB 4.01Å; K20-V86 HydrophobicContact CG-CG2 4.15Å; L23-V86 HydrophobicContact CD1-CB 4.46Å; L23-V86 HydrophobicContact CD1-CG1 3.71Å; L23-V86 HydrophobicContact CD1-CG2 3.84Å; V86-I118 WeakPolarHBondContact CA-O 3.37Å; V86-I118 HydrophobicContact CG1-CG2 4.32Å; V86-I118 HydrophobicContact CG2-CB 4.29Å; V86-N120 HydrophobicContact CG1-CB 3.78Å
87Y98.7Very high96.7Very high0 Ų032.2 Ų32.20%016%0.155CC..EExtended strand (participates in β ladder)trans-115.1164.7165.374.8-88.8000110.1I89 S94 F95 V98 L117 I118 G119 N120 V131 F148Y87-I89 HydrophobicContact CE2-CG2 4.12Å; Y87-S94 WeakPolarHBondContact CB-OG 3.42Å; Y87-F95 HydrophobicContact CD1-CD2 4.14Å; Y87-F95 HydrophobicContact CD2-CB 3.86Å; Y87-F95 HydrophobicContact CD2-CD2 4.01Å; Y87-F95 HydrophobicContact CD2-CG 4.42Å; Y87-F95 AromaticContact CE1-CD2 3.97Å; Y87-F95 HydrophobicContact CE1-CD2 3.97Å; Y87-F95 HydrophobicContact CE1-CE2 4.46Å; Y87-F95 HydrophobicContact CE2-CB 4.36Å; Y87-F95 AromaticContact CE2-CD2 3.86Å; Y87-F95 HydrophobicContact CE2-CD2 3.86Å; Y87-F95 HydrophobicContact CG-CB 4.19Å; Y87-F95 HydrophobicContact CG-CD2 4.15Å; Y87-F95 AromaticContact CZ-CD2 3.83Å; Y87-V98 HydrophobicContact CD1-CG2 4.05Å; Y87-V98 HydrophobicContact CG-CG2 4.36Å; Y87-L117 HydrophobicContact CD1-CD1 3.98Å; Y87-L117 HydrophobicContact CD1-CG 4.41Å; Y87-L117 HydrophobicContact CE1-CD1 4.19Å; Y87-L117 HydrophobicContact CE1-CD2 4.35Å; Y87-L117 HydrophobicContact CE1-CG 4.13Å; Y87-I118 VanDerWaalsContact CD1-O 3.32Å; Y87-I118 WeakPolarHBondContact CD1-O 3.34Å; Y87-I118 PolarHBondContact N-O 2.82Å; Y87-G119 VanDerWaalsContact CZ-CA 3.48Å; Y87-N120 PolarHBondContact O-N 2.96Å; Y87-V131 HydrophobicContact CE2-CB 3.95Å; Y87-V131 HydrophobicContact CE2-CG1 3.78Å; Y87-V131 HydrophobicContact CE2-CG2 4.2Å; Y87-F148 AromaticContact CE1-CE2 3.91Å; Y87-F148 HydrophobicContact CE1-CE2 3.91Å; Y87-F148 VanDerWaalsContact OH-CE2 3.3Å; Y87-F148 WeakPolarHBondContact OH-CE2 3.06Å; Y87-F148 WeakPolarHBondContact OH-CZ 3.47Å
88D98.3Very high97.1Very high8 Ų832.2 Ų32.24%0.04316%0.155CC..EExtended strand (participates in β ladder)trans-100.2127.6173.8171.37.7000109.1T18 T90 D91 S94 K121T18-D88 HydrophobicContact CG2-CB 4.3Å; D88-T90 PolarHBondContact O-N 2.81Å; D88-T90 VanDerWaalsContact O-N 3.12Å; D88-T90 PolarHBondContact OD1-N 2.95Å; D88-T90 PolarHBondContact OD1-OG1 2.8Å; D88-T90 VanDerWaalsContact OD1-OG1 3.12Å; D88-T90 PolarHBondContact OD2-OG1 2.84Å; D88-D91 HydrophobicContact CB-CB 3.98Å; D88-D91 PolarHBondContact O-N 2.99Å; D88-S94 PolarHBondContact N-OG 3.48Å; D88-S94 PolarHBondContact O-OG 3.49Å; D88-K121 HydrophobicContact CB-CD 4.35Å; D88-K121 VanDerWaalsContact CG-CD 3.49Å; D88-K121 WeakPolarHBondContact OD1-CD 3.35Å; D88-K121 VanDerWaalsContact OD2-CD 3.31Å; D88-K121 WeakPolarHBondContact OD2-CD 3.48Å; D88-K121 WeakPolarHBondContact OD2-CE 3.48Å; D88-K121 IonicContact OD2-NZ 2.76Å; D88-K121 PolarHBondContact OD2-NZ 2.76Å
89I98.7Very high97.4Very high4 Ų426.7 Ų26.72%0.02114%0.141CC..THydrogen-bonded Turntrans-62.6-18.9-177.664.8159.2000113.4Y87 N120 V122 R129 E130 V131Y87-I89 HydrophobicContact CE2-CG2 4.12Å; I89-N120 WeakPolarHBondContact CG1-O 3.42Å; I89-N120 PolarHBondContact N-O 3.49Å; I89-V122 HydrophobicContact CD1-CB 4.43Å; I89-V122 HydrophobicContact CD1-CG1 4.15Å; I89-R129 HydrophobicContact CD1-CG 4.48Å; I89-E130 PolarHBondContact O-N 3.05Å; I89-V131 PolarHBondContact O-N 3.33Å
90T98.4Very high97.6Very high28 Ų2829 Ų2917%0.17215%0.153CC..THydrogen-bonded Turntrans-98.67.5177.373.40000113D88 L124 L128D88-T90 PolarHBondContact O-N 2.81Å; D88-T90 VanDerWaalsContact O-N 3.12Å; D88-T90 PolarHBondContact OD1-N 2.95Å; D88-T90 PolarHBondContact OD1-OG1 2.8Å; D88-T90 VanDerWaalsContact OD1-OG1 3.12Å; D88-T90 PolarHBondContact OD2-OG1 2.84Å; T90-L124 HydrophobicContact CG2-CB 4.09Å; T90-L124 HydrophobicContact CG2-CD1 3.7Å; T90-L128 WeakPolarHBondContact CA-O 3.35Å; T90-L128 WeakPolarHBondContact CB-O 3.21Å; T90-L128 HydrophobicContact CG2-CB 3.79Å; T90-L128 WeakPolarHBondContact CG2-O 3.41Å
91D98.1Very high97.7Very high47 Ų4729.3 Ų29.325%0.25116%0.155SC..  trans-131.997.7-179174.2-4.7000109.6D88 E93 S94 F95D88-D91 HydrophobicContact CB-CB 3.98Å; D88-D91 PolarHBondContact O-N 2.99Å; D91-E93 VanDerWaalsContact C-N 3.26Å; D91-E93 PolarHBondContact O-N 3.31Å; D91-E93 WeakPolarHBondContact OD1-CA 3.46Å; D91-E93 WeakPolarHBondContact OD1-CB 3.44Å; D91-E93 PolarHBondContact OD1-N 3.02Å; D91-S94 PolarHBondContact O-N 3.42Å; D91-S94 PolarHBondContact O-OG 3.42Å; D91-S94 PolarHBondContact OD1-N 3.05Å; D91-S94 WeakPolarHBondContact OD2-CB 3.47Å; D91-F95 PolarHBondContact O-N 3.49Å
92R98.3Very high97.7Very high66 Ų6629.3 Ų29.325%0.24916%0.155CC..Hα-helixtrans-61.1-31.4179-178.659.567.5164.515.8113.4F95 N96 E130 E135R92-F95 PolarHBondContact O-N 3.01Å; R92-N96 PolarHBondContact O-N 2.81Å; R92-N96 PolarHBondContact O-ND2 2.94Å; R92-N96 PolarHBondContact O-OD1 3.27Å; R92-E130 HydrophobicContact CB-CB 4.24Å; R92-E130 WeakPolarHBondContact CB-OE2 3.44Å; R92-E130 VanDerWaalsContact CZ-O 3.26Å; R92-E130 PolarHBondContact N-OE2 2.84Å; R92-E130 PolarHBondContact NE-O 3.08Å; R92-E130 PolarHBondContact NH2-O 3.2Å; R92-E135 IonicContact CZ-OE1 3.3Å; R92-E135 IonicContact CZ-OE2 2.71Å; R92-E135 IonicContact NH1-OE1 2.69Å; R92-E135 PolarHBondContact NH1-OE1 3.04Å; R92-E135 IonicContact NH1-OE2 3.78Å; R92-E135 IonicContact NH2-OE1 3.96Å; R92-E135 PolarHBondContact NH2-OE1 2.95Å; R92-E135 IonicContact NH2-OE2 3.96Å; R92-E135 PolarHBondContact NH2-OE2 2.76Å; R92-E135 VanDerWaalsContact NH2-OE2 3.14Å
93E98Very high97.6Very high148 Ų14832.3 Ų32.369%0.69218%0.176SC*.Hα-helixtrans-67.5-39.6178.3-63.8-171.3166.200111D91 F95 N96 A97D91-E93 VanDerWaalsContact C-N 3.26Å; D91-E93 PolarHBondContact O-N 3.31Å; D91-E93 WeakPolarHBondContact OD1-CA 3.46Å; D91-E93 WeakPolarHBondContact OD1-CB 3.44Å; D91-E93 PolarHBondContact OD1-N 3.02Å; E93-F95 VanDerWaalsContact C-N 3.25Å; E93-F95 PolarHBondContact O-N 3.41Å; E93-N96 PolarHBondContact O-N 2.89Å; E93-A97 PolarHBondContact O-N 3.06Å; E93-A97 VanDerWaalsContact O-N 3.1Å
94S97.9Very high97.4Very high1 Ų133.2 Ų33.21%0.00718%0.182CC..Hα-helixtrans-60.9-35.4174.679.60000112.9Y87 D88 D91Y87-S94 WeakPolarHBondContact CB-OG 3.42Å; D88-S94 PolarHBondContact N-OG 3.48Å; D88-S94 PolarHBondContact O-OG 3.49Å; D91-S94 PolarHBondContact O-N 3.42Å; D91-S94 PolarHBondContact O-OG 3.42Å; D91-S94 PolarHBondContact OD1-N 3.05Å; D91-S94 WeakPolarHBondContact OD2-CB 3.47Å
95F98.7Very high97.1Very high27 Ų2733.1 Ų33.112%0.11818%0.182CC..Hα-helixtrans-71.3-45.7174.7174.2-99.7000112.1Y87 D91 R92 E93 A97 V98 V131 E135 C139Y87-F95 HydrophobicContact CD1-CD2 4.14Å; Y87-F95 HydrophobicContact CD2-CB 3.86Å; Y87-F95 HydrophobicContact CD2-CD2 4.01Å; Y87-F95 HydrophobicContact CD2-CG 4.42Å; Y87-F95 AromaticContact CE1-CD2 3.97Å; Y87-F95 HydrophobicContact CE1-CD2 3.97Å; Y87-F95 HydrophobicContact CE1-CE2 4.46Å; Y87-F95 HydrophobicContact CE2-CB 4.36Å; Y87-F95 AromaticContact CE2-CD2 3.86Å; Y87-F95 HydrophobicContact CE2-CD2 3.86Å; Y87-F95 HydrophobicContact CG-CB 4.19Å; Y87-F95 HydrophobicContact CG-CD2 4.15Å; Y87-F95 AromaticContact CZ-CD2 3.83Å; D91-F95 PolarHBondContact O-N 3.49Å; R92-F95 PolarHBondContact O-N 3.01Å; E93-F95 VanDerWaalsContact C-N 3.25Å; E93-F95 PolarHBondContact O-N 3.41Å; F95-A97 PolarHBondContact O-N 3Å; F95-A97 VanDerWaalsContact O-N 3.16Å; F95-V98 VanDerWaalsContact O-CB 3.25Å; F95-V98 WeakPolarHBondContact O-CB 3.24Å; F95-V98 VanDerWaalsContact O-CG2 3.24Å; F95-V98 WeakPolarHBondContact O-CG2 3.25Å; F95-V98 PolarHBondContact O-N 2.89Å; F95-V131 HydrophobicContact CB-CG1 4.48Å; F95-V131 HydrophobicContact CB-CG2 3.66Å; F95-V131 HydrophobicContact CD1-CG1 4.31Å; F95-V131 HydrophobicContact CD1-CG2 4.34Å; F95-V131 HydrophobicContact CD2-CG1 3.67Å; F95-V131 HydrophobicContact CD2-CG2 4.4Å; F95-V131 HydrophobicContact CE1-CG1 4.47Å; F95-V131 HydrophobicContact CE2-CG1 3.85Å; F95-V131 HydrophobicContact CG-CG1 3.89Å; F95-V131 HydrophobicContact CG-CG2 3.89Å; F95-V131 HydrophobicContact CZ-CG1 4.24Å; F95-E135 HydrophobicContact CZ-CB 4.05Å; F95-C139 HydrophobicContact CE2-CB 3.68Å; F95-C139 HydrophobicContact CZ-CB 3.73Å
96N98.1Very high97Very high106 Ų10638.3 Ų38.357%0.56720%0.201SC*.Hα-helixtrans-60.7-27.5178.9-68.6-15.8000112.4R92 E93 V98R92-N96 PolarHBondContact O-N 2.81Å; R92-N96 PolarHBondContact O-ND2 2.94Å; R92-N96 PolarHBondContact O-OD1 3.27Å; E93-N96 PolarHBondContact O-N 2.89Å; N96-V98 VanDerWaalsContact C-N 3.35Å
97A97Very high96.7Very high22 Ų2244.2 Ų44.218%0.18223%0.229CC..THydrogen-bonded Turntrans-77.3-1317700000114.6N15 E93 F95 N99 S100 W101N15-A97 VanDerWaalsContact OD1-CB 3.3Å; N15-A97 WeakPolarHBondContact OD1-CB 3.18Å; E93-A97 PolarHBondContact O-N 3.06Å; E93-A97 VanDerWaalsContact O-N 3.1Å; F95-A97 PolarHBondContact O-N 3Å; F95-A97 VanDerWaalsContact O-N 3.16Å; A97-N99 VanDerWaalsContact C-N 3.32Å; A97-N99 PolarHBondContact O-N 3.31Å; A97-S100 WeakPolarHBondContact O-CB 3.33Å; A97-S100 PolarHBondContact O-N 2.93Å; A97-W101 VanDerWaalsContact O-CD1 3.23Å; A97-W101 PolarHBondContact O-N 2.67Å; A97-W101 VanDerWaalsContact O-N 3.13Å
98V98.1Very high96.3Very high1 Ų146.8 Ų46.81%0.00624%0.242CC..Hα-helixtrans-53.7-45.8-174.8165.30000112.3V85 Y87 F95 N96 S100 W101 I102 L117V85-V98 HydrophobicContact CG1-CG1 4.13Å; V85-V98 HydrophobicContact CG1-CG2 4.42Å; Y87-V98 HydrophobicContact CD1-CG2 4.05Å; Y87-V98 HydrophobicContact CG-CG2 4.36Å; F95-V98 VanDerWaalsContact O-CB 3.25Å; F95-V98 WeakPolarHBondContact O-CB 3.24Å; F95-V98 VanDerWaalsContact O-CG2 3.24Å; F95-V98 WeakPolarHBondContact O-CG2 3.25Å; F95-V98 PolarHBondContact O-N 2.89Å; N96-V98 VanDerWaalsContact C-N 3.35Å; V98-S100 VanDerWaalsContact C-N 3.26Å; V98-S100 PolarHBondContact O-N 2.66Å; V98-W101 PolarHBondContact O-N 3.26Å; V98-W101 VanDerWaalsContact O-N 3.14Å; V98-I102 HydrophobicContact CG1-CD1 3.64Å; V98-I102 HydrophobicContact CG1-CG1 4.31Å; V98-I102 WeakPolarHBondContact O-CG1 3.41Å; V98-I102 PolarHBondContact O-N 2.88Å; V98-L117 HydrophobicContact CB-CD1 4.44Å; V98-L117 HydrophobicContact CG1-CD1 3.54Å; V98-L117 HydrophobicContact CG2-CD1 3.96Å
99N97Very high95.9Very high81 Ų8147.1 Ų47.143%0.43325%0.246SC..Hα-helixtrans-59.9-38.8-178.9-64.2-5.5000111.8A97 S103 N143A97-N99 VanDerWaalsContact C-N 3.32Å; A97-N99 PolarHBondContact O-N 3.31Å; N99-S103 WeakPolarHBondContact O-CB 3.29Å; N99-S103 PolarHBondContact O-N 3.27Å; N99-S103 PolarHBondContact O-OG 3.12Å; N99-N143 PolarHBondContact OD1-ND2 2.99Å; N99-N143 PolarHBondContact OD1-OD1 2.98Å
100S94.9Very high95.4Very high66 Ų6647.8 Ų47.846%0.46225%0.25SC..Hα-helixtrans-67.6-42.4177.5-177.60000111.4A97 V98 S103 S104A97-S100 WeakPolarHBondContact O-CB 3.33Å; A97-S100 PolarHBondContact O-N 2.93Å; V98-S100 VanDerWaalsContact C-N 3.26Å; V98-S100 PolarHBondContact O-N 2.66Å; S100-S103 PolarHBondContact O-N 3.31Å; S100-S104 VanDerWaalsContact O-CB 3.29Å; S100-S104 WeakPolarHBondContact O-CB 3.4Å; S100-S104 PolarHBondContact O-N 2.86Å; S100-S104 PolarHBondContact O-OG 2.88Å
101W95.3Very high94.8Very high7 Ų752 Ų523%0.02728%0.278CS..Hα-helixtrans-62.3-45175.2-75.3109.7000112.4I13 G14 N15 Q70 T73 Y77 V85 A97 V98 S104 V105I13-W101 HydrophobicContact CB-CE3 3.92Å; I13-W101 HydrophobicContact CB-CZ3 4.31Å; I13-W101 HydrophobicContact CD1-CB 4.09Å; I13-W101 HydrophobicContact CD1-CE3 4.28Å; I13-W101 HydrophobicContact CG1-CB 4.42Å; I13-W101 HydrophobicContact CG1-CE3 4.39Å; G14-W101 VanDerWaalsContact C-CE2 3.44Å; G14-W101 WeakPolarHBondContact O-CZ2 3.3Å; N15-W101 PolarHBondContact OD1-NE1 3.5Å; Q70-W101 HydrophobicContact CG-CH2 4.23Å; T73-W101 HydrophobicContact CG2-CZ3 4.26Å; Y77-W101 WeakPolarHBondContact OH-CZ3 3.36Å; V85-W101 HydrophobicContact CG1-CB 4.05Å; A97-W101 VanDerWaalsContact O-CD1 3.23Å; A97-W101 PolarHBondContact O-N 2.67Å; A97-W101 VanDerWaalsContact O-N 3.13Å; V98-W101 PolarHBondContact O-N 3.26Å; V98-W101 VanDerWaalsContact O-N 3.14Å; W101-S104 PolarHBondContact O-N 3.12Å; W101-V105 WeakPolarHBondContact O-CG1 3.43Å; W101-V105 PolarHBondContact O-N 3.32Å; W101-V105 VanDerWaalsContact O-N 3.1Å
102I96.2Very high94.4Very high0 Ų051.6 Ų51.60%028%0.275CS..Hα-helixtrans-63.9-46.2178.2-69.9173.9000110.8V85 V98 S104 V105 R106 V115 N143V85-I102 HydrophobicContact CB-CG1 4.42Å; V85-I102 HydrophobicContact CG1-CG1 4.24Å; V85-I102 HydrophobicContact CG2-CG1 3.85Å; V98-I102 HydrophobicContact CG1-CD1 3.64Å; V98-I102 HydrophobicContact CG1-CG1 4.31Å; V98-I102 WeakPolarHBondContact O-CG1 3.41Å; V98-I102 PolarHBondContact O-N 2.88Å; I102-S104 PolarHBondContact O-N 3.18Å; I102-V105 VanDerWaalsContact O-CG1 3.29Å; I102-V105 WeakPolarHBondContact O-CG1 3.32Å; I102-V105 PolarHBondContact O-N 3.07Å; I102-R106 WeakPolarHBondContact O-CB 3.44Å; I102-R106 WeakPolarHBondContact O-CG 3.3Å; I102-R106 PolarHBondContact O-N 3.14Å; I102-R106 VanDerWaalsContact O-N 3.1Å; I102-V115 HydrophobicContact CD1-CG1 4.02Å; I102-V115 HydrophobicContact CG1-CG1 4.08Å; I102-N143 HydrophobicContact CD1-CB 3.54Å; I102-N143 HydrophobicContact CG2-CB 4.38Å
103S94.8Very high94.3Very high63 Ų6349.2 Ų49.244%0.44127%0.267SS..Hα-helixtrans-60-48.5178-58.10000111N99 S100 V105 R106 E107N99-S103 WeakPolarHBondContact O-CB 3.29Å; N99-S103 PolarHBondContact O-N 3.27Å; N99-S103 PolarHBondContact O-OG 3.12Å; S100-S103 PolarHBondContact O-N 3.31Å; S103-V105 PolarHBondContact O-N 2.72Å; S103-R106 PolarHBondContact O-N 3.13Å; S103-E107 WeakPolarHBondContact O-CG 3.24Å; S103-E107 PolarHBondContact O-N 2.94Å; S103-E107 VanDerWaalsContact O-N 3.16Å
104S92.9Very high94.2Very high19 Ų1942.3 Ų42.313%0.13324%0.235CC..Hα-helixtrans-60.7-39.6-178.8-62.60000113.4Y77 S100 W101 I102Y77-S104 WeakPolarHBondContact CD2-O 3.42Å; S100-S104 VanDerWaalsContact O-CB 3.29Å; S100-S104 WeakPolarHBondContact O-CB 3.4Å; S100-S104 PolarHBondContact O-N 2.86Å; S100-S104 PolarHBondContact O-OG 2.88Å; W101-S104 PolarHBondContact O-N 3.12Å; I102-S104 PolarHBondContact O-N 3.18Å
105V93.7Very high94.3Very high0 Ų042.3 Ų42.30%024%0.235CC..Hα-helixtrans-74.1-35.9179.269.60000111.9L11 I13 Y77 A83 W101 I102 S103 E107 L108 A109 L113L11-V105 HydrophobicContact CD1-CG2 3.83Å; I13-V105 HydrophobicContact CD1-CB 3.82Å; I13-V105 HydrophobicContact CD1-CG1 3.81Å; I13-V105 HydrophobicContact CD1-CG2 4.36Å; Y77-V105 HydrophobicContact CD1-CG2 4.29Å; Y77-V105 HydrophobicContact CD2-CB 4.1Å; Y77-V105 HydrophobicContact CD2-CG2 4.13Å; Y77-V105 HydrophobicContact CE2-CB 3.99Å; Y77-V105 HydrophobicContact CE2-CG2 4.37Å; Y77-V105 HydrophobicContact CG-CG2 4.07Å; A83-V105 HydrophobicContact CB-CG1 4.13Å; A83-V105 HydrophobicContact CB-CG2 4.12Å; W101-V105 WeakPolarHBondContact O-CG1 3.43Å; W101-V105 PolarHBondContact O-N 3.32Å; W101-V105 VanDerWaalsContact O-N 3.1Å; I102-V105 VanDerWaalsContact O-CG1 3.29Å; I102-V105 WeakPolarHBondContact O-CG1 3.32Å; I102-V105 PolarHBondContact O-N 3.07Å; S103-V105 PolarHBondContact O-N 2.72Å; V105-E107 VanDerWaalsContact C-N 3.28Å; V105-E107 PolarHBondContact O-N 2.81Å; V105-L108 PolarHBondContact O-N 2.84Å; V105-A109 HydrophobicContact CG2-CB 4.07Å; V105-A109 WeakPolarHBondContact O-CB 3.46Å; V105-A109 PolarHBondContact O-N 3.24Å; V105-L113 HydrophobicContact CB-CD2 4.2Å; V105-L113 HydrophobicContact CG1-CD2 3.55Å; V105-L113 HydrophobicContact CG2-CD2 3.78Å
106R95.1Very high94.2Very high109 Ų10941 Ų4141%0.41123%0.229SC..Hα-helixtrans-66-27.6176.7-76.9179.5169.8160.11.2113.7I102 S103 L108 L113 N143 G144I102-R106 WeakPolarHBondContact O-CB 3.44Å; I102-R106 WeakPolarHBondContact O-CG 3.3Å; I102-R106 PolarHBondContact O-N 3.14Å; I102-R106 VanDerWaalsContact O-N 3.1Å; S103-R106 PolarHBondContact O-N 3.13Å; R106-L108 VanDerWaalsContact C-N 3.26Å; R106-L108 PolarHBondContact O-N 2.79Å; R106-L113 HydrophobicContact CG-CD2 4.18Å; R106-N143 PolarHBondContact NH1-O 3.01Å; R106-N143 PolarHBondContact NH2-O 3.16Å; R106-G144 PolarHBondContact NH2-O 3.1Å; R106-G144 VanDerWaalsContact NH2-O 3.14Å
107E92.8Very high94.3Very high126 Ų12636 Ų3659%0.58920%0.202SC*.THydrogen-bonded Turntrans-64.7-27.2175.2-73.7173.1-173.600113.8R74 S103 V105R74-E107 IonicContact CZ-OE2 3.31Å; R74-E107 IonicContact NH2-OE2 3.64Å; R74-E107 PolarHBondContact NH2-OE2 2.88Å; S103-E107 WeakPolarHBondContact O-CG 3.24Å; S103-E107 PolarHBondContact O-N 2.94Å; S103-E107 VanDerWaalsContact O-N 3.16Å; V105-E107 VanDerWaalsContact C-N 3.28Å; V105-E107 PolarHBondContact O-N 2.81Å
108L89.7Confident94.4Very high53 Ų5335 Ų3528%0.27719%0.194SC..THydrogen-bonded Turntrans-126.5-20.7-166.3-62.6178.1000114.4R74 Y77 R78 V105 R106R74-L108 HydrophobicContact CB-CD1 3.69Å; R74-L108 HydrophobicContact CG-CD1 4.06Å; Y77-L108 HydrophobicContact CD2-CB 4.16Å; Y77-L108 HydrophobicContact CD2-CD1 3.96Å; Y77-L108 HydrophobicContact CG-CB 4.43Å; R78-L108 WeakPolarHBondContact CA-O 3.43Å; R78-L108 WeakPolarHBondContact CG-O 3.42Å; V105-L108 PolarHBondContact O-N 2.84Å; R106-L108 VanDerWaalsContact C-N 3.26Å; R106-L108 PolarHBondContact O-N 2.79Å
109A91Very high94.4Very high15 Ų1535 Ų3512%0.12419%0.194CC..SBendtrans-80.6-169.4178.600000112.1Y77 A80 V105 L113Y77-A109 WeakPolarHBondContact O-CA 3.28Å; A80-A109 HydrophobicContact CB-CB 4.35Å; V105-A109 HydrophobicContact CG2-CB 4.07Å; V105-A109 WeakPolarHBondContact O-CB 3.46Å; V105-A109 PolarHBondContact O-N 3.24Å; A109-L113 HydrophobicContact CB-CB 4.33Å; A109-L113 HydrophobicContact CB-CD1 3.9Å; A109-L113 HydrophobicContact CB-CD2 4Å; A109-L113 HydrophobicContact CB-CG 4.3Å
110L86.5Confident94.5Very high19 Ų1931.2 Ų31.210%0.09917%0.174CC..  trans-68.3147.9176.1-65.6178.1000111.2N112 L113 M183 Y185L110-N112 PolarHBondContact O-N 2.83Å; L110-N112 VanDerWaalsContact O-N 3.13Å; L110-L113 WeakPolarHBondContact O-CB 3.18Å; L110-L113 PolarHBondContact O-N 3.48Å; L110-M183 HydrophobicContact CD1-CG 4.09Å; L110-Y185 HydrophobicContact CD1-CE2 4.07Å; L110-Y185 WeakPolarHBondContact CD1-OH 2.95Å
111P87.7Confident94.6Very high117 Ų11730.4 Ų30.476%0.7616%0.162SC*.THydrogen-bonded Turntrans-55.9-30.6178.1-26.734.8000114.1
112N89.4Confident94.7Very high38 Ų3832.1 Ų32.120%0.20317%0.173CC..THydrogen-bonded Turntrans-96.823.1178.968.6-56.6000113.5L110 T114 Q173L110-N112 PolarHBondContact O-N 2.83Å; L110-N112 VanDerWaalsContact O-N 3.13Å; N112-T114 PolarHBondContact O-N 2.83Å; N112-T114 VanDerWaalsContact O-N 3.11Å; N112-Q173 PolarHBondContact ND2-OE1 2.83Å; N112-Q173 VanDerWaalsContact ND2-OE1 3.08Å; N112-Q173 PolarHBondContact O-NE2 3.49Å; N112-Q173 PolarHBondContact O-OE1 2.96Å
113L95.3Very high94.8Very high15 Ų1534.4 Ų34.48%0.07919%0.186CC..  trans-48.1118.8179.3178.275.6000112.1A80 A83 V105 R106 A109 L110 V115A80-L113 HydrophobicContact CB-CD1 4.26Å; A80-L113 WeakPolarHBondContact O-CD1 3.22Å; A83-L113 HydrophobicContact CB-CD1 4.21Å; A83-L113 HydrophobicContact CB-CD2 4.18Å; V105-L113 HydrophobicContact CB-CD2 4.2Å; V105-L113 HydrophobicContact CG1-CD2 3.55Å; V105-L113 HydrophobicContact CG2-CD2 3.78Å; R106-L113 HydrophobicContact CG-CD2 4.18Å; A109-L113 HydrophobicContact CB-CB 4.33Å; A109-L113 HydrophobicContact CB-CD1 3.9Å; A109-L113 HydrophobicContact CB-CD2 4Å; A109-L113 HydrophobicContact CB-CG 4.3Å; L110-L113 WeakPolarHBondContact O-CB 3.18Å; L110-L113 PolarHBondContact O-N 3.48Å; L113-V115 HydrophobicContact CD2-CG2 4.04Å; L113-V115 HydrophobicContact CG-CG2 4.29Å
114T97Very high94.9Very high3 Ų334.4 Ų34.42%0.01818%0.18CC..EExtended strand (participates in β ladder)trans-72.4133.6166.3-69.10000109.5A81 C82 A83 N112 I116 Y146 S169 Q173A81-T114 PolarHBondContact O-N 2.89Å; C82-T114 CarbonylContact C-O 3.59Å; C82-T114 WeakPolarHBondContact CA-O 3.4Å; A83-T114 PolarHBondContact N-O 2.7Å; N112-T114 PolarHBondContact O-N 2.83Å; N112-T114 VanDerWaalsContact O-N 3.11Å; T114-I116 HydrophobicContact CG2-CD1 3.95Å; T114-I116 HydrophobicContact CG2-CG1 4.32Å; T114-Y146 HydrophobicContact CG2-CG 4.48Å; T114-S169 VanDerWaalsContact CG2-OG 3.23Å; T114-S169 WeakPolarHBondContact CG2-OG 3.33Å; T114-S169 PolarHBondContact OG1-OG 3.12Å; T114-S169 VanDerWaalsContact OG1-OG 3.08Å; T114-Q173 PolarHBondContact OG1-NE2 3.46Å
115V98.1Very high95Very high1 Ų138.9 Ų38.91%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-115.3130173.2176.60000108.9A83 V85 I102 L113 A145 Y146A83-V115 WeakPolarHBondContact O-CA 2.92Å; V85-V115 HydrophobicContact CG2-CG1 3.9Å; I102-V115 HydrophobicContact CD1-CG1 4.02Å; I102-V115 HydrophobicContact CG1-CG1 4.08Å; L113-V115 HydrophobicContact CD2-CG2 4.04Å; L113-V115 HydrophobicContact CG-CG2 4.29Å; V115-A145 HydrophobicContact CB-CB 4.24Å; V115-A145 HydrophobicContact CG1-CB 3.96Å; V115-A145 CarbonylContact O-C 3.51Å; V115-Y146 PolarHBondContact O-N 2.82Å
116I98.5Very high95.1Very high0 Ų043.2 Ų43.20%024%0.239CC..EExtended strand (participates in β ladder)trans-114.7119.3170-51-64.9000107.2A83 V85 T114 I118 Y146 T147 L149 A166A83-I116 PolarHBondContact O-N 3.39Å; V85-I116 PolarHBondContact N-O 3.09Å; T114-I116 HydrophobicContact CG2-CD1 3.95Å; T114-I116 HydrophobicContact CG2-CG1 4.32Å; I116-I118 HydrophobicContact CG2-CD1 4.47Å; I116-I118 HydrophobicContact CG2-CG1 4.1Å; I116-Y146 HydrophobicContact CD1-CD1 3.73Å; I116-Y146 HydrophobicContact CD1-CG 4.35Å; I116-T147 HydrophobicContact CD1-CG2 3.78Å; I116-T147 HydrophobicContact CG2-CG2 4.11Å; I116-L149 HydrophobicContact CG2-CD1 3.8Å; I116-A166 HydrophobicContact CD1-CB 4.36Å; I116-A166 HydrophobicContact CG1-CB 3.81Å
117L98.8Very high95.2Very high0 Ų044.6 Ų44.60%025%0.254CS..EExtended strand (participates in β ladder)trans-87.2132.2175.2-175.162000109.6V85 Y87 V98 G136 C139 A140 A145 T147 F148 L149V85-L117 HydrophobicContact CB-CD1 4.24Å; V85-L117 HydrophobicContact CG1-CD1 4.28Å; Y87-L117 HydrophobicContact CD1-CD1 3.98Å; Y87-L117 HydrophobicContact CD1-CG 4.41Å; Y87-L117 HydrophobicContact CE1-CD1 4.19Å; Y87-L117 HydrophobicContact CE1-CD2 4.35Å; Y87-L117 HydrophobicContact CE1-CG 4.13Å; V98-L117 HydrophobicContact CB-CD1 4.44Å; V98-L117 HydrophobicContact CG1-CD1 3.54Å; V98-L117 HydrophobicContact CG2-CD1 3.96Å; L117-G136 WeakPolarHBondContact CD2-O 3.47Å; L117-C139 HydrophobicContact CD2-CB 4Å; L117-A140 HydrophobicContact CB-CB 4.14Å; L117-A140 HydrophobicContact CD2-CB 3.92Å; L117-A145 HydrophobicContact CB-CB 4.44Å; L117-T147 PolarHBondContact N-O 3.48Å; L117-F148 HydrophobicContact CB-CD2 4.12Å; L117-F148 HydrophobicContact CD2-CD2 4.01Å; L117-F148 HydrophobicContact CG-CD2 3.89Å; L117-F148 HydrophobicContact CG-CE2 4.48Å; L117-F148 WeakPolarHBondContact O-CA 3.3Å; L117-L149 PolarHBondContact O-N 3.01Å
118I98.9Very high95.4Very high2 Ų242.6 Ų42.61%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-126.6116.7-176.2-61.4-179.2000110.2L23 L84 V85 V86 Y87 I116 N120 L149 T151 A162L23-I118 HydrophobicContact CD1-CG2 4.11Å; L84-I118 HydrophobicContact CB-CD1 4.04Å; L84-I118 HydrophobicContact CD2-CD1 3.74Å; L84-I118 HydrophobicContact CG-CD1 4.13Å; V85-I118 PolarHBondContact O-N 3.47Å; V86-I118 WeakPolarHBondContact CA-O 3.37Å; V86-I118 HydrophobicContact CG1-CG2 4.32Å; V86-I118 HydrophobicContact CG2-CB 4.29Å; Y87-I118 VanDerWaalsContact CD1-O 3.32Å; Y87-I118 WeakPolarHBondContact CD1-O 3.34Å; Y87-I118 PolarHBondContact N-O 2.82Å; I116-I118 HydrophobicContact CG2-CD1 4.47Å; I116-I118 HydrophobicContact CG2-CG1 4.1Å; I118-N120 HydrophobicContact CG2-CB 4.35Å; I118-L149 VanDerWaalsContact CA-O 3.3Å; I118-L149 WeakPolarHBondContact CA-O 3.14Å; I118-T151 HydrophobicContact CG2-CG2 3.72Å; I118-T151 WeakPolarHBondContact CG2-OG1 3.14Å; I118-A162 HydrophobicContact CD1-CB 3.95Å
119G98.8Very high95.8Very high0 Ų043.6 Ų43.60%025%0.247CC..EExtended strand (participates in β ladder)trans-88.7101.3165.200000109.9Y87 L149 E150 T151Y87-G119 VanDerWaalsContact CZ-CA 3.48Å; G119-L149 PolarHBondContact N-O 3.05Å; G119-E150 CarbonylContact O-C 3.49Å; G119-E150 WeakPolarHBondContact O-CA 3.22Å; G119-E150 WeakPolarHBondContact O-CB 3.21Å; G119-T151 PolarHBondContact O-N 3.28Å
120N98.6Very high96.2Very high2 Ų247.9 Ų47.91%0.01127%0.265CS..EExtended strand (participates in β ladder)trans-92.8166.6-174.6-169.138.1000112.5T18 L23 V86 Y87 I89 I118 T151 A153T18-N120 PolarHBondContact O-ND2 3.45Å; L23-N120 HydrophobicContact CD1-CB 4.41Å; V86-N120 HydrophobicContact CG1-CB 3.78Å; Y87-N120 PolarHBondContact O-N 2.96Å; I89-N120 WeakPolarHBondContact CG1-O 3.42Å; I89-N120 PolarHBondContact N-O 3.49Å; I118-N120 HydrophobicContact CG2-CB 4.35Å; N120-T151 CarbonylContact C-O 3.39Å; N120-T151 VanDerWaalsContact CA-O 3.31Å; N120-T151 WeakPolarHBondContact CA-O 3.49Å; N120-T151 PolarHBondContact OD1-O 3.45Å; N120-T151 VanDerWaalsContact OD1-O 3.1Å; N120-T151 PolarHBondContact OD1-OG1 3.02Å; N120-A153 PolarHBondContact OD1-N 3.38Å
121K97.7Very high96.7Very high49 Ų4947 Ų4721%0.21326%0.26CS..  trans73.834.2177.4-46.1-166.4-163.8165.70115.4A17 D88 D123 L124 T151A17-K121 WeakPolarHBondContact O-CE 3.37Å; A17-K121 PolarHBondContact O-NZ 3.08Å; D88-K121 HydrophobicContact CB-CD 4.35Å; D88-K121 VanDerWaalsContact CG-CD 3.49Å; D88-K121 WeakPolarHBondContact OD1-CD 3.35Å; D88-K121 VanDerWaalsContact OD2-CD 3.31Å; D88-K121 WeakPolarHBondContact OD2-CD 3.48Å; D88-K121 WeakPolarHBondContact OD2-CE 3.48Å; D88-K121 IonicContact OD2-NZ 2.76Å; D88-K121 PolarHBondContact OD2-NZ 2.76Å; K121-D123 PolarHBondContact O-N 3.26Å; K121-L124 HydrophobicContact CB-CD1 3.83Å; K121-L124 HydrophobicContact CB-CG 4.09Å; K121-L124 HydrophobicContact CD-CD1 3.89Å; K121-L124 WeakPolarHBondContact O-CB 3.3Å; K121-L124 PolarHBondContact O-N 2.92Å; K121-T151 PolarHBondContact N-O 3.36Å
122V98Very high97.2Very high44 Ų4444.6 Ų44.627%0.26724%0.243SC..THydrogen-bonded Turntrans-61.9-9.7171.5-58.50000114.8I89 L124 E150 T151I89-V122 HydrophobicContact CD1-CB 4.43Å; I89-V122 HydrophobicContact CD1-CG1 4.15Å; V122-L124 VanDerWaalsContact C-N 3.28Å; V122-E150 HydrophobicContact CG1-CB 3.47Å; V122-E150 VanDerWaalsContact CG1-CB 3.47Å; V122-E150 HydrophobicContact CG1-CG 4.34Å; V122-E150 WeakPolarHBondContact CG1-OE2 3.27Å; V122-T151 PolarHBondContact N-O 2.87Å
123D97.3Very high97.6Very high48 Ų4847.2 Ų47.226%0.25725%0.254SS..THydrogen-bonded Turntrans-76.6-11.7173.260.6-83.7000114.1K121 S152 K154K121-D123 PolarHBondContact O-N 3.26Å; D123-S152 WeakPolarHBondContact CB-OG 3.45Å; D123-S152 VanDerWaalsContact OD1-CB 3.28Å; D123-S152 WeakPolarHBondContact OD1-CB 3.29Å; D123-S152 PolarHBondContact OD1-OG 3.12Å; D123-K154 HydrophobicContact CB-CB 4.48Å; D123-K154 HydrophobicContact CB-CD 4.37Å; D123-K154 WeakPolarHBondContact OD2-CD 3.26Å; D123-K154 IonicContact OD2-NZ 3.84Å
124L96.6Very high97.8Very high62 Ų6252.6 Ų52.633%0.32528%0.282SS..SBendtrans-75.8158.4174.2-63.5179.6000111.1T90 K121 V122 A126T90-L124 HydrophobicContact CG2-CB 4.09Å; T90-L124 HydrophobicContact CG2-CD1 3.7Å; K121-L124 HydrophobicContact CB-CD1 3.83Å; K121-L124 HydrophobicContact CB-CG 4.09Å; K121-L124 HydrophobicContact CD-CD1 3.89Å; K121-L124 WeakPolarHBondContact O-CB 3.3Å; K121-L124 PolarHBondContact O-N 2.92Å; V122-L124 VanDerWaalsContact C-N 3.28Å; L124-A126 PolarHBondContact O-N 2.73Å
125D95.9Very high97.9Very high114 Ų11455.2 Ų55.261%0.6129%0.294SS*.  trans-58.9139.1-178.1-67.6-50.9000111.9N127 L128D125-N127 WeakPolarHBondContact CB-OD1 3.5Å; D125-N127 PolarHBondContact O-N 2.8Å; D125-N127 VanDerWaalsContact O-N 3.11Å; D125-L128 HydrophobicContact CB-CD1 4.43Å; D125-L128 HydrophobicContact CB-CG 4.4Å; D125-L128 WeakPolarHBondContact O-CB 3.18Å; D125-L128 PolarHBondContact O-N 2.8Å
126A95.1Very high97.9Very high91 Ų9155.1 Ų55.175%0.75229%0.294SS*.G310 helixtrans-62.3-23-174.800000113.8L124 L128 R129L124-A126 PolarHBondContact O-N 2.73Å; A126-L128 VanDerWaalsContact C-N 3.28Å; A126-R129 WeakPolarHBondContact O-CB 3.48Å; A126-R129 PolarHBondContact O-N 3.22Å
127N96.9Very high97.9Very high137 Ų13759.9 Ų59.973%0.73332%0.315SS*.G310 helixtrans-74.1-16.8175.467.4-28.7000113.5D125D125-N127 WeakPolarHBondContact CB-OD1 3.5Å; D125-N127 PolarHBondContact O-N 2.8Å; D125-N127 VanDerWaalsContact O-N 3.11Å
128L97.5Very high97.9Very high84 Ų8464.1 Ų64.144%0.4433%0.334SS..G310 helixtrans-86.9-10.7174.1-59.6178000112.2T90 D125 A126 E130T90-L128 WeakPolarHBondContact CA-O 3.35Å; T90-L128 WeakPolarHBondContact CB-O 3.21Å; T90-L128 HydrophobicContact CG2-CB 3.79Å; T90-L128 WeakPolarHBondContact CG2-O 3.41Å; D125-L128 HydrophobicContact CB-CD1 4.43Å; D125-L128 HydrophobicContact CB-CG 4.4Å; D125-L128 WeakPolarHBondContact O-CB 3.18Å; D125-L128 PolarHBondContact O-N 2.8Å; A126-L128 VanDerWaalsContact C-N 3.28Å; L128-E130 PolarHBondContact O-N 3.41Å
129R98.5Very high97.9Very high75 Ų7564.4 Ų64.428%0.28334%0.337SS..  trans-64.3121.1-179.9177.5179.6-78.9-1009.6109.8I89 A126 V131 E150I89-R129 HydrophobicContact CD1-CG 4.48Å; A126-R129 WeakPolarHBondContact O-CB 3.48Å; A126-R129 PolarHBondContact O-N 3.22Å; R129-V131 VanDerWaalsContact CD-O 3.3Å; R129-V131 WeakPolarHBondContact CD-O 3.5Å; R129-V131 WeakPolarHBondContact CG-O 3.11Å; R129-V131 PolarHBondContact NH1-O 3.2Å; R129-E150 IonicContact CZ-OE1 2.7Å; R129-E150 IonicContact CZ-OE2 2.66Å; R129-E150 IonicContact NH1-OE1 3.89Å; R129-E150 PolarHBondContact NH1-OE1 3.18Å; R129-E150 IonicContact NH1-OE2 3.69Å; R129-E150 IonicContact NH2-OE1 2.82Å; R129-E150 PolarHBondContact NH2-OE1 3.26Å; R129-E150 IonicContact NH2-OE2 3.21Å; R129-E150 PolarHBondContact NH2-OE2 3.39Å
130E98.5Very high97.8Very high105 Ų10564.6 Ų64.649%0.49134%0.338SS..  trans-99-28.8174.6-64.5-168.2173.900111.6I89 R92 L128I89-E130 PolarHBondContact O-N 3.05Å; R92-E130 HydrophobicContact CB-CB 4.24Å; R92-E130 WeakPolarHBondContact CB-OE2 3.44Å; R92-E130 VanDerWaalsContact CZ-O 3.26Å; R92-E130 PolarHBondContact N-OE2 2.84Å; R92-E130 PolarHBondContact NE-O 3.08Å; R92-E130 PolarHBondContact NH2-O 3.2Å; L128-E130 PolarHBondContact O-N 3.41Å
131V98.5Very high97.8Very high0 Ų070.2 Ų70.20%037%0.367CS..SBendtrans-114.6125.1-176.7-1740000110.4Y87 I89 F95 R129 E135Y87-V131 HydrophobicContact CE2-CB 3.95Å; Y87-V131 HydrophobicContact CE2-CG1 3.78Å; Y87-V131 HydrophobicContact CE2-CG2 4.2Å; I89-V131 PolarHBondContact O-N 3.33Å; F95-V131 HydrophobicContact CB-CG1 4.48Å; F95-V131 HydrophobicContact CB-CG2 3.66Å; F95-V131 HydrophobicContact CD1-CG1 4.31Å; F95-V131 HydrophobicContact CD1-CG2 4.34Å; F95-V131 HydrophobicContact CD2-CG1 3.67Å; F95-V131 HydrophobicContact CD2-CG2 4.4Å; F95-V131 HydrophobicContact CE1-CG1 4.47Å; F95-V131 HydrophobicContact CE2-CG1 3.85Å; F95-V131 HydrophobicContact CG-CG1 3.89Å; F95-V131 HydrophobicContact CG-CG2 3.89Å; F95-V131 HydrophobicContact CZ-CG1 4.24Å; R129-V131 VanDerWaalsContact CD-O 3.3Å; R129-V131 WeakPolarHBondContact CD-O 3.5Å; R129-V131 WeakPolarHBondContact CG-O 3.11Å; R129-V131 PolarHBondContact NH1-O 3.2Å; V131-E135 HydrophobicContact CG1-CB 4Å
132T98.2Very high97.9Very high66 Ų6673.3 Ų73.341%0.40539%0.386SS..  trans-77.8155.8178.164.80000112.2L134 E135 G136T132-L134 PolarHBondContact O-N 2.99Å; T132-E135 WeakPolarHBondContact CB-OE2 3.45Å; T132-E135 PolarHBondContact N-OE2 3.29Å; T132-E135 PolarHBondContact O-N 3.38Å; T132-E135 VanDerWaalsContact OG1-CG 3.24Å; T132-E135 WeakPolarHBondContact OG1-CG 3.43Å; T132-E135 PolarHBondContact OG1-N 2.88Å; T132-E135 PolarHBondContact OG1-OE2 2.78Å; T132-G136 PolarHBondContact O-N 3.37Å; T132-G136 VanDerWaalsContact O-N 3.09Å
133E98Very high97.8Very high93 Ų9372.2 Ų72.244%0.43538%0.378SS..Hα-helixtrans-59.1-32.9174.1-165-168.6161.700111.6G136 K137 F148 E150E133-G136 PolarHBondContact O-N 3.27Å; E133-K137 WeakPolarHBondContact O-CG 3.36Å; E133-K137 PolarHBondContact O-N 2.87Å; E133-K137 WeakPolarHBondContact OE1-CE 3.39Å; E133-K137 IonicContact OE1-NZ 3.75Å; E133-K137 PolarHBondContact OE1-NZ 3.29Å; E133-K137 IonicContact OE2-NZ 3.41Å; E133-F148 HydrophobicContact CG-CE1 3.78Å; E133-E150 HydrophobicContact CG-CG 4.35Å
134L98.3Very high97.8Very high128 Ų12872.3 Ų72.367%0.6739%0.391SS*.Hα-helixtrans-65.1-44.9176.8-171.5155.7000111.4T132 G136 K137 Q138T132-L134 PolarHBondContact O-N 2.99Å; L134-G136 VanDerWaalsContact C-N 3.33Å; L134-G136 PolarHBondContact O-N 2.87Å; L134-K137 PolarHBondContact O-N 2.94Å; L134-Q138 WeakPolarHBondContact O-CB 3.31Å; L134-Q138 PolarHBondContact O-N 3.36Å
135E98.6Very high97.8Very high58 Ų5870.2 Ų70.227%0.27138%0.382SS..Hα-helixtrans-62.3-40.8175.4-71.4167.8106.500111.8R92 F95 V131 T132 Q138 C139R92-E135 IonicContact CZ-OE1 3.3Å; R92-E135 IonicContact CZ-OE2 2.71Å; R92-E135 IonicContact NH1-OE1 2.69Å; R92-E135 PolarHBondContact NH1-OE1 3.04Å; R92-E135 IonicContact NH1-OE2 3.78Å; R92-E135 IonicContact NH2-OE1 3.96Å; R92-E135 PolarHBondContact NH2-OE1 2.95Å; R92-E135 IonicContact NH2-OE2 3.96Å; R92-E135 PolarHBondContact NH2-OE2 2.76Å; R92-E135 VanDerWaalsContact NH2-OE2 3.14Å; F95-E135 HydrophobicContact CZ-CB 4.05Å; V131-E135 HydrophobicContact CG1-CB 4Å; T132-E135 WeakPolarHBondContact CB-OE2 3.45Å; T132-E135 PolarHBondContact N-OE2 3.29Å; T132-E135 PolarHBondContact O-N 3.38Å; T132-E135 VanDerWaalsContact OG1-CG 3.24Å; T132-E135 WeakPolarHBondContact OG1-CG 3.43Å; T132-E135 PolarHBondContact OG1-N 2.88Å; T132-E135 PolarHBondContact OG1-OE2 2.78Å; E135-Q138 PolarHBondContact O-N 3.37Å; E135-C139 WeakPolarHBondContact O-CB 3.49Å; E135-C139 PolarHBondContact O-N 2.84Å
136G98.6Very high97.9Very high0 Ų070 Ų700%037%0.374CS..Hα-helixtrans-59.9-47.5173.800000112.7L117 T132 E133 L134 C139 A140L117-G136 WeakPolarHBondContact CD2-O 3.47Å; T132-G136 PolarHBondContact O-N 3.37Å; T132-G136 VanDerWaalsContact O-N 3.09Å; E133-G136 PolarHBondContact O-N 3.27Å; L134-G136 VanDerWaalsContact C-N 3.33Å; L134-G136 PolarHBondContact O-N 2.87Å; G136-C139 PolarHBondContact O-N 2.87Å; G136-A140 PolarHBondContact O-N 3.44Å
137K98.5Very high98Very high100 Ų10068 Ų6844%0.43535%0.352SS..Hα-helixtrans-60.5-46.4175.7-74.6173.5-177.5165.50112E133 L134 A140 I141 F148E133-K137 WeakPolarHBondContact O-CG 3.36Å; E133-K137 PolarHBondContact O-N 2.87Å; E133-K137 WeakPolarHBondContact OE1-CE 3.39Å; E133-K137 IonicContact OE1-NZ 3.75Å; E133-K137 PolarHBondContact OE1-NZ 3.29Å; E133-K137 IonicContact OE2-NZ 3.41Å; L134-K137 PolarHBondContact O-N 2.94Å; K137-A140 PolarHBondContact O-N 2.96Å; K137-I141 WeakPolarHBondContact O-CG1 3.13Å; K137-I141 PolarHBondContact O-N 3.32Å; K137-I141 VanDerWaalsContact O-N 3.11Å; K137-F148 HydrophobicContact CB-CD1 4.36Å; K137-F148 HydrophobicContact CG-CD1 3.49Å; K137-F148 VanDerWaalsContact CG-CD1 3.49Å; K137-F148 HydrophobicContact CG-CE1 4Å; K137-F148 HydrophobicContact CG-CG 4.4Å
138Q98.6Very high98.1Very high88 Ų8862.6 Ų62.641%0.41132%0.322SS..Hα-helixtrans-64-44.8179.7-170.659.752.300111.1L134 E135 A140 I141 D142L134-Q138 WeakPolarHBondContact O-CB 3.31Å; L134-Q138 PolarHBondContact O-N 3.36Å; E135-Q138 PolarHBondContact O-N 3.37Å; Q138-A140 VanDerWaalsContact C-N 3.29Å; Q138-A140 PolarHBondContact O-N 2.84Å; Q138-I141 WeakPolarHBondContact O-CB 3.13Å; Q138-I141 PolarHBondContact O-N 3.3Å; Q138-I141 VanDerWaalsContact O-N 3.1Å; Q138-D142 PolarHBondContact NE2-OD1 2.71Å; Q138-D142 PolarHBondContact O-N 3.37Å
139C98.5Very high98.2Very high9 Ų960 Ų606%0.06131%0.309CS..Hα-helixtrans-58.5-40.2176.2-178.40000112.3F95 L117 E135 G136 D142 N143F95-C139 HydrophobicContact CE2-CB 3.68Å; F95-C139 HydrophobicContact CZ-CB 3.73Å; L117-C139 HydrophobicContact CD2-CB 4Å; E135-C139 WeakPolarHBondContact O-CB 3.49Å; E135-C139 PolarHBondContact O-N 2.84Å; G136-C139 PolarHBondContact O-N 2.87Å; C139-D142 PolarHBondContact O-N 2.95Å; C139-N143 WeakPolarHBondContact O-CB 3.46Å; C139-N143 PolarHBondContact O-N 3.36Å; C139-N143 PolarHBondContact O-ND2 2.82Å
140A98.5Very high98.2Very high4 Ų457.7 Ų57.73%0.03330%0.301CS..Hα-helixtrans-62.8-43.4174.600000112.5L117 G136 K137 Q138 N143 G144 A145 F148L117-A140 HydrophobicContact CB-CB 4.14Å; L117-A140 HydrophobicContact CD2-CB 3.92Å; G136-A140 PolarHBondContact O-N 3.44Å; K137-A140 PolarHBondContact O-N 2.96Å; Q138-A140 VanDerWaalsContact C-N 3.29Å; Q138-A140 PolarHBondContact O-N 2.84Å; A140-N143 PolarHBondContact O-N 2.93Å; A140-G144 PolarHBondContact O-N 3.25Å; A140-G144 VanDerWaalsContact O-N 3.12Å; A140-A145 HydrophobicContact CB-CB 3.94Å; A140-A145 WeakPolarHBondContact O-CB 3.34Å; A140-A145 PolarHBondContact O-N 2.61Å; A140-F148 HydrophobicContact CB-CB 3.7Å
141I98.3Very high98.2Very high119 Ų11952.7 Ų52.761%0.6128%0.278SS*.Hα-helixtrans-62.5-50.8176.5-66.5165.5000110.3K137 Q138 N143 G144K137-I141 WeakPolarHBondContact O-CG1 3.13Å; K137-I141 PolarHBondContact O-N 3.32Å; K137-I141 VanDerWaalsContact O-N 3.11Å; Q138-I141 WeakPolarHBondContact O-CB 3.13Å; Q138-I141 PolarHBondContact O-N 3.3Å; Q138-I141 VanDerWaalsContact O-N 3.1Å; I141-N143 PolarHBondContact O-N 3.22Å; I141-G144 PolarHBondContact O-N 3.01Å
142D98.1Very high98.1Very high114 Ų11452.7 Ų52.761%0.6128%0.278SS*.Hα-helixtrans-61.1-32.5-176.7-65.3-16.5000112.2Q138 C139Q138-D142 PolarHBondContact NE2-OD1 2.71Å; Q138-D142 PolarHBondContact O-N 3.37Å; C139-D142 PolarHBondContact O-N 2.95Å
143N97.4Very high98Very high21 Ų2149.8 Ų49.811%0.11226%0.26CS..THydrogen-bonded Turntrans-91.71.3177.2-74.1-88.4000113.6N99 I102 R106 C139 A140 I141 A145N99-N143 PolarHBondContact OD1-ND2 2.99Å; N99-N143 PolarHBondContact OD1-OD1 2.98Å; I102-N143 HydrophobicContact CD1-CB 3.54Å; I102-N143 HydrophobicContact CG2-CB 4.38Å; R106-N143 PolarHBondContact NH1-O 3.01Å; R106-N143 PolarHBondContact NH2-O 3.16Å; C139-N143 WeakPolarHBondContact O-CB 3.46Å; C139-N143 PolarHBondContact O-N 3.36Å; C139-N143 PolarHBondContact O-ND2 2.82Å; A140-N143 PolarHBondContact O-N 2.93Å; I141-N143 PolarHBondContact O-N 3.22Å; N143-A145 VanDerWaalsContact C-N 3.27Å; N143-A145 PolarHBondContact O-N 3.48Å
144G96.5Very high97.8Very high51 Ų5151.2 Ų51.253%0.52627%0.265SS..THydrogen-bonded Turntrans59.338.2-176.500000112.9R106 A140 I141R106-G144 PolarHBondContact NH2-O 3.1Å; R106-G144 VanDerWaalsContact NH2-O 3.14Å; A140-G144 PolarHBondContact O-N 3.25Å; A140-G144 VanDerWaalsContact O-N 3.12Å; I141-G144 PolarHBondContact O-N 3.01Å
145A97.7Very high97.6Very high17 Ų1749.9 Ų49.914%0.1426%0.259CS..  trans-71.4147.616800000109.7V115 L117 A140 N143 T147V115-A145 HydrophobicContact CB-CB 4.24Å; V115-A145 HydrophobicContact CG1-CB 3.96Å; V115-A145 CarbonylContact O-C 3.51Å; L117-A145 HydrophobicContact CB-CB 4.44Å; A140-A145 HydrophobicContact CB-CB 3.94Å; A140-A145 WeakPolarHBondContact O-CB 3.34Å; A140-A145 PolarHBondContact O-N 2.61Å; N143-A145 VanDerWaalsContact C-N 3.27Å; N143-A145 PolarHBondContact O-N 3.48Å; A145-T147 VanDerWaalsContact C-N 3.32Å; A145-T147 PolarHBondContact O-N 3.14Å
146Y97.5Very high97.5Very high110 Ų11047.6 Ų47.643%0.43125%0.251SS..SBendtrans-64.8-39.9178.6173.6-100.6000111.5T114 V115 I116 S169T114-Y146 HydrophobicContact CG2-CG 4.48Å; V115-Y146 PolarHBondContact O-N 2.82Å; I116-Y146 HydrophobicContact CD1-CD1 3.73Å; I116-Y146 HydrophobicContact CD1-CG 4.35Å; Y146-S169 VanDerWaalsContact CD2-OG 3.24Å; Y146-S169 WeakPolarHBondContact CD2-OG 3.15Å
147T97.6Very high97.5Very high49 Ų4949.9 Ų49.930%0.30127%0.266SS..EExtended strand (participates in β ladder)trans-159.4167.6174.8-167.80000111.1I116 L117 A145 L149 A165I116-T147 HydrophobicContact CD1-CG2 3.78Å; I116-T147 HydrophobicContact CG2-CG2 4.11Å; L117-T147 PolarHBondContact N-O 3.48Å; A145-T147 VanDerWaalsContact C-N 3.32Å; A145-T147 PolarHBondContact O-N 3.14Å; T147-L149 HydrophobicContact CG2-CD1 3.58Å; T147-A165 HydrophobicContact CG2-CB 4.29Å
148F98.6Very high97.4Very high24 Ų2448.2 Ų48.211%0.10526%0.262CS..EExtended strand (participates in β ladder)trans-120.3134171.6167.8-108.3000109.5Y87 L117 E133 K137 A140 E150Y87-F148 AromaticContact CE1-CE2 3.91Å; Y87-F148 HydrophobicContact CE1-CE2 3.91Å; Y87-F148 VanDerWaalsContact OH-CE2 3.3Å; Y87-F148 WeakPolarHBondContact OH-CE2 3.06Å; Y87-F148 WeakPolarHBondContact OH-CZ 3.47Å; L117-F148 HydrophobicContact CB-CD2 4.12Å; L117-F148 HydrophobicContact CD2-CD2 4.01Å; L117-F148 HydrophobicContact CG-CD2 3.89Å; L117-F148 HydrophobicContact CG-CE2 4.48Å; L117-F148 WeakPolarHBondContact O-CA 3.3Å; E133-F148 HydrophobicContact CG-CE1 3.78Å; K137-F148 HydrophobicContact CB-CD1 4.36Å; K137-F148 HydrophobicContact CG-CD1 3.49Å; K137-F148 VanDerWaalsContact CG-CD1 3.49Å; K137-F148 HydrophobicContact CG-CE1 4Å; K137-F148 HydrophobicContact CG-CG 4.4Å; A140-F148 HydrophobicContact CB-CB 3.7Å; F148-E150 HydrophobicContact CE1-CG 3.82Å; F148-E150 HydrophobicContact CE2-CG 4.35Å; F148-E150 HydrophobicContact CZ-CG 3.46Å; F148-E150 VanDerWaalsContact CZ-CG 3.46Å
149L98.5Very high97.4Very high30 Ų3044.1 Ų44.116%0.15724%0.243CC..EExtended strand (participates in β ladder)trans-132.9147.7169-56.698.1000110I116 L117 I118 G119 T147 D161 A162I116-L149 HydrophobicContact CG2-CD1 3.8Å; L117-L149 PolarHBondContact O-N 3.01Å; I118-L149 VanDerWaalsContact CA-O 3.3Å; I118-L149 WeakPolarHBondContact CA-O 3.14Å; G119-L149 PolarHBondContact N-O 3.05Å; T147-L149 HydrophobicContact CG2-CD1 3.58Å; L149-D161 HydrophobicContact CD2-CB 4.18Å; L149-A162 HydrophobicContact CD1-CB 4.14Å
150E98.6Very high97.3Very high26 Ų2647.4 Ų47.412%0.12126%0.26CS..EExtended strand (participates in β ladder)trans-95138.3163-57-165.6150.400110.6G119 V122 R129 E133 F148 N158G119-E150 CarbonylContact O-C 3.49Å; G119-E150 WeakPolarHBondContact O-CA 3.22Å; G119-E150 WeakPolarHBondContact O-CB 3.21Å; V122-E150 HydrophobicContact CG1-CB 3.47Å; V122-E150 VanDerWaalsContact CG1-CB 3.47Å; V122-E150 HydrophobicContact CG1-CG 4.34Å; V122-E150 WeakPolarHBondContact CG1-OE2 3.27Å; R129-E150 IonicContact CZ-OE1 2.7Å; R129-E150 IonicContact CZ-OE2 2.66Å; R129-E150 IonicContact NH1-OE1 3.89Å; R129-E150 PolarHBondContact NH1-OE1 3.18Å; R129-E150 IonicContact NH1-OE2 3.69Å; R129-E150 IonicContact NH2-OE1 2.82Å; R129-E150 PolarHBondContact NH2-OE1 3.26Å; R129-E150 IonicContact NH2-OE2 3.21Å; R129-E150 PolarHBondContact NH2-OE2 3.39Å; E133-E150 HydrophobicContact CG-CG 4.35Å; F148-E150 HydrophobicContact CE1-CG 3.82Å; F148-E150 HydrophobicContact CE2-CG 4.35Å; F148-E150 HydrophobicContact CZ-CG 3.46Å; F148-E150 VanDerWaalsContact CZ-CG 3.46Å; E150-N158 VanDerWaalsContact O-CB 3.25Å; E150-N158 WeakPolarHBondContact O-CB 3.45Å; E150-N158 PolarHBondContact O-ND2 3.21Å
151T98.6Very high97.2Very high0 Ų051.3 Ų51.30%028%0.28CS..EExtended strand (participates in β ladder)trans-131.1160.3-174.663.60000112.1I118 G119 N120 K121 V122 S157 N158 A162I118-T151 HydrophobicContact CG2-CG2 3.72Å; I118-T151 WeakPolarHBondContact CG2-OG1 3.14Å; G119-T151 PolarHBondContact O-N 3.28Å; N120-T151 CarbonylContact C-O 3.39Å; N120-T151 VanDerWaalsContact CA-O 3.31Å; N120-T151 WeakPolarHBondContact CA-O 3.49Å; N120-T151 PolarHBondContact OD1-O 3.45Å; N120-T151 VanDerWaalsContact OD1-O 3.1Å; N120-T151 PolarHBondContact OD1-OG1 3.02Å; K121-T151 PolarHBondContact N-O 3.36Å; V122-T151 PolarHBondContact N-O 2.87Å; T151-S157 VanDerWaalsContact CA-O 3.27Å; T151-S157 WeakPolarHBondContact CA-O 3.25Å; T151-S157 WeakPolarHBondContact CB-O 3.37Å; T151-N158 HydrophobicContact CG2-CB 4Å; T151-A162 HydrophobicContact CG2-CB 4.28Å
152S97.8Very high97.2Very high0 Ų045.7 Ų45.70%025%0.251CS..  trans-127.6114.9160.7167.40000109.9D123 K154 N155 G156 S157D123-S152 WeakPolarHBondContact CB-OG 3.45Å; D123-S152 VanDerWaalsContact OD1-CB 3.28Å; D123-S152 WeakPolarHBondContact OD1-CB 3.29Å; D123-S152 PolarHBondContact OD1-OG 3.12Å; S152-K154 PolarHBondContact O-N 2.67Å; S152-K154 PolarHBondContact OG-N 2.83Å; S152-K154 VanDerWaalsContact OG-N 3.17Å; S152-N155 WeakPolarHBondContact CB-OD1 3.39Å; S152-N155 PolarHBondContact OG-N 2.86Å; S152-N155 PolarHBondContact OG-OD1 2.99Å; S152-G156 CarbonylContact O-C 3.45Å; S152-G156 WeakPolarHBondContact O-CA 3.49Å; S152-G156 PolarHBondContact O-N 2.71Å; S152-S157 PolarHBondContact N-O 2.8Å; S152-S157 PolarHBondContact O-N 3.31Å
153A95.2Very high97.2Very high4 Ų440.3 Ų40.33%0.03322%0.223CC..THydrogen-bonded Turntrans-65.5-21.4170.300000113C22 L23 W26 F32 N120C22-A153 HydrophobicContact CB-CB 3.54Å; L23-A153 HydrophobicContact CD2-CB 3.89Å; L23-A153 HydrophobicContact CG-CB 4.05Å; W26-A153 VanDerWaalsContact CD1-O 3.3Å; F32-A153 VanDerWaalsContact CD2-O 3.27Å; F32-A153 WeakPolarHBondContact CD2-O 3.23Å; N120-A153 PolarHBondContact OD1-N 3.38Å
154K94.5Very high97.2Very high124 Ų12440.2 Ų40.254%0.53922%0.223SC..THydrogen-bonded Turntrans-74-47.2-177.8-172.1-175.9-177.7-179.30111.8F32 D123 S152F32-K154 HydrophobicContact CD1-CG 4.3Å; F32-K154 HydrophobicContact CD2-CB 4.47Å; F32-K154 HydrophobicContact CE1-CG 4.4Å; D123-K154 HydrophobicContact CB-CB 4.48Å; D123-K154 HydrophobicContact CB-CD 4.37Å; D123-K154 WeakPolarHBondContact OD2-CD 3.26Å; D123-K154 IonicContact OD2-NZ 3.84Å; S152-K154 PolarHBondContact O-N 2.67Å; S152-K154 PolarHBondContact OG-N 2.83Å; S152-K154 VanDerWaalsContact OG-N 3.17Å
155N94.4Very high97.2Very high100 Ų10038.8 Ų38.854%0.53521%0.206SC..THydrogen-bonded Turntrans-106-8.6-178.568.424.7000113.7S152 S157S152-N155 WeakPolarHBondContact CB-OD1 3.39Å; S152-N155 PolarHBondContact OG-N 2.86Å; S152-N155 PolarHBondContact OG-OD1 2.99Å; N155-S157 WeakPolarHBondContact OD1-CB 3.14Å; N155-S157 PolarHBondContact OD1-N 2.69Å
156G95.8Very high97.1Very high10 Ų1038 Ų3810%0.10320%0.199CC..  trans90.60.6178.400000116.1W26 S152 N158 V159W26-G156 VanDerWaalsContact NE1-CA 3.28Å; S152-G156 CarbonylContact O-C 3.45Å; S152-G156 WeakPolarHBondContact O-CA 3.49Å; S152-G156 PolarHBondContact O-N 2.71Å; G156-N158 PolarHBondContact O-N 2.96Å; G156-V159 PolarHBondContact O-N 3.24Å
157S97.7Very high97.1Very high47 Ų4732.7 Ų32.733%0.32918%0.179SC..THydrogen-bonded Turntrans-54.3125.9-178.9-178.50000111T151 S152 N155 V159T151-S157 VanDerWaalsContact CA-O 3.27Å; T151-S157 WeakPolarHBondContact CA-O 3.25Å; T151-S157 WeakPolarHBondContact CB-O 3.37Å; S152-S157 PolarHBondContact N-O 2.8Å; S152-S157 PolarHBondContact O-N 3.31Å; N155-S157 WeakPolarHBondContact OD1-CB 3.14Å; N155-S157 PolarHBondContact OD1-N 2.69Å; S157-V159 PolarHBondContact O-N 3.01Å
158N97.6Very high97Very high66 Ų6635.4 Ų35.435%0.35318%0.183SC..THydrogen-bonded Turntrans55.58.1179.5-62.1-24.6000116.4E150 T151 G156 D161 A162E150-N158 VanDerWaalsContact O-CB 3.25Å; E150-N158 WeakPolarHBondContact O-CB 3.45Å; E150-N158 PolarHBondContact O-ND2 3.21Å; T151-N158 HydrophobicContact CG2-CB 4Å; G156-N158 PolarHBondContact O-N 2.96Å; N158-D161 PolarHBondContact O-N 2.98Å; N158-A162 WeakPolarHBondContact O-CB 3.14Å; N158-A162 PolarHBondContact O-N 2.96Å
159V97.9Very high96.9Very high1 Ų134.4 Ų34.41%0.00618%0.179CC..Hα-helixtrans-66.8-49.8-178.3-179.20000110.2L23 W26 F27 G156 S157 D161 A162 F163L23-V159 HydrophobicContact CD2-CG1 4.2Å; L23-V159 HydrophobicContact CD2-CG2 3.66Å; W26-V159 HydrophobicContact CB-CG1 4.5Å; W26-V159 HydrophobicContact CD2-CB 4.17Å; W26-V159 HydrophobicContact CD2-CG1 4.26Å; W26-V159 HydrophobicContact CD2-CG2 4.33Å; W26-V159 HydrophobicContact CE3-CB 3.47Å; W26-V159 VanDerWaalsContact CE3-CB 3.47Å; W26-V159 HydrophobicContact CE3-CG1 3.46Å; W26-V159 VanDerWaalsContact CE3-CG1 3.46Å; W26-V159 HydrophobicContact CE3-CG2 4.12Å; W26-V159 HydrophobicContact CZ3-CB 3.75Å; W26-V159 HydrophobicContact CZ3-CG1 4.09Å; F27-V159 HydrophobicContact CB-CG1 4.06Å; G156-V159 PolarHBondContact O-N 3.24Å; S157-V159 PolarHBondContact O-N 3.01Å; V159-D161 VanDerWaalsContact C-N 3.27Å; V159-D161 PolarHBondContact O-N 3.47Å; V159-A162 PolarHBondContact O-N 3.48Å; V159-F163 HydrophobicContact CG1-CD2 4.22Å; V159-F163 HydrophobicContact CG1-CE2 4.18Å; V159-F163 WeakPolarHBondContact O-CD2 3.15Å; V159-F163 PolarHBondContact O-N 3.09Å
160L96.3Very high96.7Very high79 Ų7933 Ų3341%0.41417%0.172SC..Hα-helixtrans-61.4-38.6176.6179.859.1000111.6W26 F27 L49 F163 T164W26-L160 HydrophobicContact CZ3-CB 4.41Å; F27-L160 HydrophobicContact CD2-CD1 4.42Å; F27-L160 HydrophobicContact CE2-CD1 3.94Å; L49-L160 HydrophobicContact CD1-CD1 4.19Å; L160-F163 PolarHBondContact O-N 2.83Å; L160-T164 VanDerWaalsContact O-CB 3.29Å; L160-T164 WeakPolarHBondContact O-CB 3.31Å; L160-T164 PolarHBondContact O-N 3.03Å; L160-T164 PolarHBondContact O-OG1 3.25Å
161D97.3Very high96.5Very high85 Ų8532.1 Ų32.146%0.45517%0.168SC..Hα-helixtrans-65.8-41.2-179.7-60.3-50.3000111.8L149 N158 V159 T164 A165L149-D161 HydrophobicContact CD2-CB 4.18Å; N158-D161 PolarHBondContact O-N 2.98Å; V159-D161 VanDerWaalsContact C-N 3.27Å; V159-D161 PolarHBondContact O-N 3.47Å; D161-T164 PolarHBondContact O-N 3.07Å; D161-A165 VanDerWaalsContact O-CB 3.3Å; D161-A165 WeakPolarHBondContact O-CB 3.44Å; D161-A165 PolarHBondContact O-N 2.73Å
162A98Very high96.2Very high1 Ų136.2 Ų36.21%0.00819%0.187CC..Hα-helixtrans-61-46.7176.300000112.2I118 L149 T151 N158 V159 A166I118-A162 HydrophobicContact CD1-CB 3.95Å; L149-A162 HydrophobicContact CD1-CB 4.14Å; T151-A162 HydrophobicContact CG2-CB 4.28Å; N158-A162 WeakPolarHBondContact O-CB 3.14Å; N158-A162 PolarHBondContact O-N 2.96Å; V159-A162 PolarHBondContact O-N 3.48Å; A162-A166 WeakPolarHBondContact O-CB 3.29Å; A162-A166 PolarHBondContact O-N 2.56Å
163F97.6Very high95.9Very high2 Ų238.6 Ų38.61%0.00920%0.198CC..Hα-helixtrans-68.6-34.5175.9-79.6-87.6000112.4F10 I12 F27 I60 L84 V159 L160 A166 V167F10-F163 HydrophobicContact CD2-CD1 4.3Å; I12-F163 HydrophobicContact CD1-CZ 3.97Å; F27-F163 HydrophobicContact CB-CD2 3.72Å; F27-F163 HydrophobicContact CB-CE2 3.49Å; F27-F163 VanDerWaalsContact CB-CE2 3.49Å; F27-F163 HydrophobicContact CB-CG 4.38Å; F27-F163 HydrophobicContact CB-CZ 3.98Å; F27-F163 AromaticContact CD1-CD1 3.85Å; F27-F163 HydrophobicContact CD1-CD1 3.85Å; F27-F163 HydrophobicContact CD1-CD2 4.16Å; F27-F163 AromaticContact CD1-CE1 3.94Å; F27-F163 HydrophobicContact CD1-CE1 3.94Å; F27-F163 HydrophobicContact CD1-CE2 4.25Å; F27-F163 AromaticContact CD1-CG 3.97Å; F27-F163 HydrophobicContact CD1-CG 3.97Å; F27-F163 HydrophobicContact CD1-CZ 4.13Å; F27-F163 HydrophobicContact CD2-CB 3.62Å; F27-F163 HydrophobicContact CD2-CD1 4.22Å; F27-F163 AromaticContact CD2-CD2 3.44Å; F27-F163 HydrophobicContact CD2-CD2 3.44Å; F27-F163 VanDerWaalsContact CD2-CD2 3.44Å; F27-F163 HydrophobicContact CD2-CE2 4.13Å; F27-F163 AromaticContact CD2-CG 3.49Å; F27-F163 HydrophobicContact CD2-CG 3.49Å; F27-F163 VanDerWaalsContact CD2-CG 3.49Å; F27-F163 HydrophobicContact CE1-CB 4.42Å; F27-F163 AromaticContact CE1-CD1 3.89Å; F27-F163 HydrophobicContact CE1-CD1 3.89Å; F27-F163 HydrophobicContact CE1-CE1 4.33Å; F27-F163 HydrophobicContact CE1-CG 4.1Å; F27-F163 HydrophobicContact CE2-CB 3.32Å; F27-F163 HydrophobicContact CE2-CD1 4.25Å; F27-F163 HydrophobicContact CE2-CD2 4.09Å; F27-F163 AromaticContact CE2-CG 3.64Å; F27-F163 HydrophobicContact CE2-CG 3.64Å; F27-F163 HydrophobicContact CG-CB 4.28Å; F27-F163 HydrophobicContact CG-CD1 4.01Å; F27-F163 AromaticContact CG-CD2 3.48Å; F27-F163 HydrophobicContact CG-CD2 3.48Å; F27-F163 VanDerWaalsContact CG-CD2 3.48Å; F27-F163 HydrophobicContact CG-CE1 4.19Å; F27-F163 AromaticContact CG-CE2 3.69Å; F27-F163 HydrophobicContact CG-CE2 3.69Å; F27-F163 AromaticContact CG-CG 3.66Å; F27-F163 HydrophobicContact CG-CG 3.66Å; F27-F163 HydrophobicContact CG-CZ 4.03Å; F27-F163 HydrophobicContact CZ-CB 3.77Å; F27-F163 HydrophobicContact CZ-CD1 4.09Å; F27-F163 AromaticContact CZ-CG 3.95Å; F27-F163 HydrophobicContact CZ-CG 3.95Å; I60-F163 HydrophobicContact CD1-CD1 4.25Å; I60-F163 HydrophobicContact CD1-CE1 3.69Å; I60-F163 HydrophobicContact CD1-CZ 4.42Å; I60-F163 HydrophobicContact CG1-CE1 4.34Å; I60-F163 HydrophobicContact CG2-CE1 4.41Å; L84-F163 HydrophobicContact CD1-CE1 4.38Å; L84-F163 HydrophobicContact CD2-CD1 4.06Å; L84-F163 HydrophobicContact CD2-CD2 4.19Å; L84-F163 HydrophobicContact CD2-CE1 3.7Å; L84-F163 HydrophobicContact CD2-CE2 3.84Å; L84-F163 HydrophobicContact CD2-CG 4.3Å; L84-F163 HydrophobicContact CD2-CZ 3.58Å; V159-F163 HydrophobicContact CG1-CD2 4.22Å; V159-F163 HydrophobicContact CG1-CE2 4.18Å; V159-F163 WeakPolarHBondContact O-CD2 3.15Å; V159-F163 PolarHBondContact O-N 3.09Å; L160-F163 PolarHBondContact O-N 2.83Å; F163-A166 WeakPolarHBondContact O-CB 3.31Å; F163-A166 PolarHBondContact O-N 3.3Å; F163-V167 WeakPolarHBondContact O-CG2 3.25Å; F163-V167 PolarHBondContact O-N 3.34Å
164T96.9Very high95.6Very high19 Ų1940 Ų4012%0.11721%0.205CC..Hα-helixtrans-69.1-42.6177.3-57.90000111.3V51 L160 D161 A166 V167 R168V51-T164 HydrophobicContact CG2-CG2 4.34Å; L160-T164 VanDerWaalsContact O-CB 3.29Å; L160-T164 WeakPolarHBondContact O-CB 3.31Å; L160-T164 PolarHBondContact O-N 3.03Å; L160-T164 PolarHBondContact O-OG1 3.25Å; D161-T164 PolarHBondContact O-N 3.07Å; T164-A166 VanDerWaalsContact C-N 3.34Å; T164-A166 PolarHBondContact O-N 2.89Å; T164-V167 PolarHBondContact O-N 2.64Å; T164-R168 WeakPolarHBondContact O-CG 3.48Å; T164-R168 PolarHBondContact O-N 2.78Å
165A96.5Very high95.2Very high20 Ų2039.9 Ų39.917%0.16521%0.206CC..Hα-helixtrans-61.3-42.4174.700000111.6T147 D161 V167 R168 S169T147-A165 HydrophobicContact CG2-CB 4.29Å; D161-A165 VanDerWaalsContact O-CB 3.3Å; D161-A165 WeakPolarHBondContact O-CB 3.44Å; D161-A165 PolarHBondContact O-N 2.73Å; A165-V167 PolarHBondContact O-N 3.44Å; A165-R168 PolarHBondContact O-N 3.47Å; A165-S169 WeakPolarHBondContact O-CB 3.35Å; A165-S169 PolarHBondContact O-N 3.27Å
166A97.2Very high94.8Very high0 Ų041.7 Ų41.70%022%0.216CC..Hα-helixtrans-56.8-48.6173.300000112.1F10 I116 A162 F163 T164 V170F10-A166 HydrophobicContact CD2-CB 4.32Å; F10-A166 HydrophobicContact CE2-CB 3.42Å; F10-A166 VanDerWaalsContact CE2-CB 3.42Å; F10-A166 HydrophobicContact CZ-CB 3.87Å; I116-A166 HydrophobicContact CD1-CB 4.36Å; I116-A166 HydrophobicContact CG1-CB 3.81Å; A162-A166 WeakPolarHBondContact O-CB 3.29Å; A162-A166 PolarHBondContact O-N 2.56Å; F163-A166 WeakPolarHBondContact O-CB 3.31Å; F163-A166 PolarHBondContact O-N 3.3Å; T164-A166 VanDerWaalsContact C-N 3.34Å; T164-A166 PolarHBondContact O-N 2.89Å; A166-V170 WeakPolarHBondContact O-CG2 3.35Å; A166-V170 PolarHBondContact O-N 3.38Å
167V97Very high93.5Very high0 Ų043.9 Ų43.90%024%0.238CC..Hα-helixtrans-64.8-45.5179.4173.60000111.8F10 L49 V51 V56 L58 F163 T164 A165 S169 V170 L171F10-V167 HydrophobicContact CE2-CG2 3.89Å; F10-V167 HydrophobicContact CZ-CG2 3.67Å; L49-V167 HydrophobicContact CD2-CB 4.4Å; L49-V167 HydrophobicContact CD2-CG2 4.02Å; V51-V167 HydrophobicContact CB-CG1 4.06Å; V51-V167 HydrophobicContact CG2-CB 4.04Å; V51-V167 HydrophobicContact CG2-CG1 3.58Å; V56-V167 HydrophobicContact CB-CG1 4.18Å; V56-V167 HydrophobicContact CG1-CG1 4.18Å; V56-V167 HydrophobicContact CG2-CG1 3.88Å; L58-V167 HydrophobicContact CD1-CG2 3.8Å; L58-V167 HydrophobicContact CD2-CG2 3.57Å; L58-V167 HydrophobicContact CG-CG2 4.25Å; F163-V167 WeakPolarHBondContact O-CG2 3.25Å; F163-V167 PolarHBondContact O-N 3.34Å; T164-V167 PolarHBondContact O-N 2.64Å; A165-V167 PolarHBondContact O-N 3.44Å; V167-S169 PolarHBondContact O-N 2.84Å; V167-V170 PolarHBondContact O-N 2.96Å; V167-L171 HydrophobicContact CG1-CD1 3.89Å; V167-L171 HydrophobicContact CG1-CG 4.18Å; V167-L171 VanDerWaalsContact O-CG 3.32Å; V167-L171 WeakPolarHBondContact O-CG 3.41Å; V167-L171 PolarHBondContact O-N 3.47Å
168R95.6Very high91.7Very high105 Ų10543.5 Ų43.540%0.39624%0.236SC..Hα-helixtrans-56.8-49.5177.5-76.4-176.1174.6135.4-0.1111.6V51 D52 T164 A165 V170 L171 E172V51-R168 HydrophobicContact CG1-CG 3.39Å; D52-R168 IonicContact OD1-NE 2.71Å; D52-R168 IonicContact OD1-NH2 3.45Å; D52-R168 PolarHBondContact OD1-NH2 3.12Å; T164-R168 WeakPolarHBondContact O-CG 3.48Å; T164-R168 PolarHBondContact O-N 2.78Å; A165-R168 PolarHBondContact O-N 3.47Å; R168-V170 PolarHBondContact O-N 2.91Å; R168-L171 PolarHBondContact O-N 3.19Å; R168-L171 VanDerWaalsContact O-N 3.17Å; R168-E172 WeakPolarHBondContact O-CG 3.48Å; R168-E172 PolarHBondContact O-N 3.36Å
169S95.1Very high89.2Confident4 Ų444.7 Ų44.73%0.02824%0.242CC..Hα-helixtrans-55.7-48.1178.8179.20000112.5T114 Y146 A165 V167 L171 E172 Q173T114-S169 VanDerWaalsContact CG2-OG 3.23Å; T114-S169 WeakPolarHBondContact CG2-OG 3.33Å; T114-S169 PolarHBondContact OG1-OG 3.12Å; T114-S169 VanDerWaalsContact OG1-OG 3.08Å; Y146-S169 VanDerWaalsContact CD2-OG 3.24Å; Y146-S169 WeakPolarHBondContact CD2-OG 3.15Å; A165-S169 WeakPolarHBondContact O-CB 3.35Å; A165-S169 PolarHBondContact O-N 3.27Å; V167-S169 PolarHBondContact O-N 2.84Å; S169-L171 PolarHBondContact O-N 2.86Å; S169-E172 PolarHBondContact O-N 2.89Å; S169-Q173 WeakPolarHBondContact O-CG 3.17Å; S169-Q173 PolarHBondContact O-N 2.87Å
170V95.3Very high86.8Confident0 Ų049 Ų490%027%0.27CS..Hα-helixtrans-66.4-39.5179.7177.20000111.3L8 F10 A81 C82 A166 V167 R168 Q173 I174L8-V170 HydrophobicContact CD1-CB 4.06Å; L8-V170 HydrophobicContact CD1-CG1 3.74Å; L8-V170 HydrophobicContact CD2-CG1 3.8Å; L8-V170 HydrophobicContact CG-CG1 4.37Å; F10-V170 HydrophobicContact CE1-CG2 4.25Å; F10-V170 HydrophobicContact CZ-CG2 4.47Å; A81-V170 HydrophobicContact CB-CG1 3.73Å; A81-V170 HydrophobicContact CB-CG2 4.08Å; C82-V170 HydrophobicContact CB-CG2 4.02Å; A166-V170 WeakPolarHBondContact O-CG2 3.35Å; A166-V170 PolarHBondContact O-N 3.38Å; V167-V170 PolarHBondContact O-N 2.96Å; R168-V170 PolarHBondContact O-N 2.91Å; V170-Q173 PolarHBondContact O-N 3.39Å; V170-I174 HydrophobicContact CG1-CD1 3.96Å; V170-I174 WeakPolarHBondContact O-CD1 3.48Å; V170-I174 VanDerWaalsContact O-CG1 3.27Å; V170-I174 WeakPolarHBondContact O-CG1 3.4Å; V170-I174 PolarHBondContact O-N 2.8Å
171L94.2Very high84.3Confident7 Ų750.7 Ų50.74%0.03728%0.284CS..Hα-helixtrans-64.4-40.3176.4-71.2179.7000112.3Y6 V51 K54 V56 V167 R168 S169 I174 Q175Y6-L171 HydrophobicContact CD1-CD2 4.34Å; Y6-L171 HydrophobicContact CD2-CD2 3.56Å; Y6-L171 HydrophobicContact CE2-CD2 3.77Å; Y6-L171 HydrophobicContact CG-CD2 3.87Å; V51-L171 HydrophobicContact CB-CD1 4.46Å; K54-L171 HydrophobicContact CB-CD1 4.31Å; V56-L171 HydrophobicContact CG2-CD1 4Å; V56-L171 HydrophobicContact CG2-CD2 4.18Å; V56-L171 HydrophobicContact CG2-CG 4.47Å; V167-L171 HydrophobicContact CG1-CD1 3.89Å; V167-L171 HydrophobicContact CG1-CG 4.18Å; V167-L171 VanDerWaalsContact O-CG 3.32Å; V167-L171 WeakPolarHBondContact O-CG 3.41Å; V167-L171 PolarHBondContact O-N 3.47Å; R168-L171 PolarHBondContact O-N 3.19Å; R168-L171 VanDerWaalsContact O-N 3.17Å; S169-L171 PolarHBondContact O-N 2.86Å; L171-I174 PolarHBondContact O-N 3.2Å; L171-Q175 VanDerWaalsContact O-CG 3.28Å; L171-Q175 WeakPolarHBondContact O-CG 3.46Å; L171-Q175 PolarHBondContact O-N 3.48Å
172E92.4Very high81.7Confident87 Ų8752.9 Ų52.941%0.40729%0.291SS..Hα-helixtrans-62.2-43.8175.4-73.5168-164.600111.2R168 S169 I174 Q175 N176R168-E172 WeakPolarHBondContact O-CG 3.48Å; R168-E172 PolarHBondContact O-N 3.36Å; S169-E172 PolarHBondContact O-N 2.89Å; E172-I174 VanDerWaalsContact C-N 3.33Å; E172-I174 PolarHBondContact O-N 3.27Å; E172-Q175 PolarHBondContact O-N 2.89Å; E172-N176 WeakPolarHBondContact O-CB 3.15Å; E172-N176 PolarHBondContact O-N 3.12Å; E172-N176 PolarHBondContact O-ND2 3.32Å
173Q90.9Very high79Confident50 Ų5053.3 Ų53.323%0.23429%0.293CS..Hα-helixtrans-61.9-38.6175.8-73.1-175.6-14.300113.1N112 T114 S169 V170 S178N112-Q173 PolarHBondContact ND2-OE1 2.83Å; N112-Q173 VanDerWaalsContact ND2-OE1 3.08Å; N112-Q173 PolarHBondContact O-NE2 3.49Å; N112-Q173 PolarHBondContact O-OE1 2.96Å; T114-Q173 PolarHBondContact OG1-NE2 3.46Å; S169-Q173 WeakPolarHBondContact O-CG 3.17Å; S169-Q173 PolarHBondContact O-N 2.87Å; V170-Q173 PolarHBondContact O-N 3.39Å; Q173-S178 VanDerWaalsContact O-CB 3.26Å; Q173-S178 WeakPolarHBondContact O-CB 3.36Å; Q173-S178 PolarHBondContact O-N 2.93Å; Q173-S178 PolarHBondContact O-OG 3.25Å
174I89.6Confident76.2Confident32 Ų3257.9 Ų57.916%0.16433%0.326CS..Hα-helixtrans-65.2-45.4176.1-69.8164.5000110.2Y6 L8 V170 L171 E172 N176 G177 M183Y6-I174 HydrophobicContact CD1-CD1 4.37Å; Y6-I174 HydrophobicContact CE1-CG2 4.13Å; L8-I174 HydrophobicContact CD2-CD1 4.02Å; V170-I174 HydrophobicContact CG1-CD1 3.96Å; V170-I174 WeakPolarHBondContact O-CD1 3.48Å; V170-I174 VanDerWaalsContact O-CG1 3.27Å; V170-I174 WeakPolarHBondContact O-CG1 3.4Å; V170-I174 PolarHBondContact O-N 2.8Å; L171-I174 PolarHBondContact O-N 3.2Å; E172-I174 VanDerWaalsContact C-N 3.33Å; E172-I174 PolarHBondContact O-N 3.27Å; I174-N176 PolarHBondContact O-N 2.98Å; I174-G177 PolarHBondContact O-N 2.87Å; I174-M183 HydrophobicContact CD1-SD 4.2Å; I174-M183 HydrophobicContact CG1-CE 3.72Å; I174-M183 HydrophobicContact CG1-SD 3.69Å
175Q86.3Confident73.7Confident122 Ų12258.6 Ų58.657%0.5733%0.327SS*.Hα-helixtrans-68.1-34.8-178.5-71.2172.328.700112.7L171 E172 G177L171-Q175 VanDerWaalsContact O-CG 3.28Å; L171-Q175 WeakPolarHBondContact O-CG 3.46Å; L171-Q175 PolarHBondContact O-N 3.48Å; E172-Q175 PolarHBondContact O-N 2.89Å; Q175-G177 PolarHBondContact O-N 3.03Å
176N86.7Confident70.9Confident138 Ų13862 Ų6274%0.73835%0.347SS*.THydrogen-bonded Turntrans-78.18.2179.9-67.4-19.5000114E172 I174E172-N176 WeakPolarHBondContact O-CB 3.15Å; E172-N176 PolarHBondContact O-N 3.12Å; E172-N176 PolarHBondContact O-ND2 3.32Å; I174-N176 PolarHBondContact O-N 2.98Å
177G68.1Low68.3Low56 Ų5665.8 Ų65.858%0.57737%0.37SS*.THydrogen-bonded Turntrans9121.8169.600000115.4I174 Q175 N179I174-G177 PolarHBondContact O-N 2.87Å; Q175-G177 PolarHBondContact O-N 3.03Å; G177-N179 PolarHBondContact O-N 3.1Å
178S59.5Low65.7Low40 Ų4066.9 Ų66.928%0.2838%0.382SS..  trans-63105.5162.2-540000107.7Q173 P180 M183Q173-S178 VanDerWaalsContact O-CB 3.26Å; Q173-S178 WeakPolarHBondContact O-CB 3.36Å; Q173-S178 PolarHBondContact O-N 2.93Å; Q173-S178 PolarHBondContact O-OG 3.25Å; S178-P180 VanDerWaalsContact O-N 3.15Å; S178-M183 WeakPolarHBondContact O-CE 3.28Å
179N44.2Very low62.9Low91 Ų9168.1 Ų68.149%0.48739%0.394SS..  trans-34109.9-168.7-132.7-24.3000113.9G177 T181 Q182 M183G177-N179 PolarHBondContact O-N 3.1Å; N179-T181 PolarHBondContact O-N 2.78Å; N179-T181 PolarHBondContact OD1-OG1 3.03Å; N179-T181 VanDerWaalsContact OD1-OG1 3.07Å; N179-Q182 HydrophobicContact CB-CG 4.43Å; N179-Q182 PolarHBondContact O-N 3.21Å; N179-M183 PolarHBondContact O-N 3.37Å
180P47.5Very low60.2Low91 Ų9169.1 Ų69.159%0.59141%0.405SS*.THydrogen-bonded Turntrans-63.5-11.8179.822.8-31.2000112.9S178 M183S178-P180 VanDerWaalsContact O-N 3.15Å; P180-M183 CarbonylContact O-C 3.45Å
181T44.1Very low57.3Low115 Ų11574.1 Ų74.171%0.70644%0.438SS*.THydrogen-bonded Turntrans-82-24.6175.548.50000114.1N179N179-T181 PolarHBondContact O-N 2.78Å; N179-T181 PolarHBondContact OD1-OG1 3.03Å; N179-T181 VanDerWaalsContact OD1-OG1 3.07Å
182Q43.1Very low54.5Low130 Ų13077.4 Ų77.461%0.60747%0.466SS*.THydrogen-bonded Turntrans-84.3-25.4170.8-70.4-169.718.600111.8N179 S184N179-Q182 HydrophobicContact CB-CG 4.43Å; N179-Q182 PolarHBondContact O-N 3.21Å; Q182-S184 VanDerWaalsContact C-N 3.32Å; Q182-S184 PolarHBondContact O-N 3.06Å
183M41.6Very low51.4Low10 Ų1081 Ų815%0.04948%0.483CS..SBendtrans-73.790.7162.1-83.3-174.2-113.400108.3L110 I174 S178 N179 P180 Y185L110-M183 HydrophobicContact CD1-CG 4.09Å; I174-M183 HydrophobicContact CD1-SD 4.2Å; I174-M183 HydrophobicContact CG1-CE 3.72Å; I174-M183 HydrophobicContact CG1-SD 3.69Å; S178-M183 WeakPolarHBondContact O-CE 3.28Å; N179-M183 PolarHBondContact O-N 3.37Å; P180-M183 CarbonylContact O-C 3.45Å; M183-Y185 HydrophobicContact CB-CD2 3.53Å; M183-Y185 HydrophobicContact CB-CE2 3.88Å; M183-Y185 HydrophobicContact CB-CG 4.45Å; M183-Y185 HydrophobicContact CG-CD2 3.69Å; M183-Y185 HydrophobicContact CG-CE2 3.5Å; M183-Y185 PolarHBondContact O-N 3.29Å; M183-Y185 HydrophobicContact SD-CD2 3.62Å; M183-Y185 HydrophobicContact SD-CE2 3.42Å; M183-Y185 WeakPolarHBondContact SD-CE2 3.36Å
184S38.1Very low48.3Very low99 Ų9985.2 Ų85.269%0.69251%0.506SS*.  trans-66.649.8160.667.20000110.3Q182 P186Q182-S184 VanDerWaalsContact C-N 3.32Å; Q182-S184 PolarHBondContact O-N 3.06Å; S184-P186 VanDerWaalsContact O-CD 3.31Å; S184-P186 WeakPolarHBondContact O-CD 3.2Å
185Y43.9Very low45.3Very low34 Ų3488.1 Ų88.113%0.13353%0.525CS..  trans-75.9117.9154.9-67-55.2000104.1L7 L8 K9 G79 A81 L110 M183 V187L7-Y185 WeakPolarHBondContact O-CD1 3.21Å; L8-Y185 HydrophobicContact CD2-CE2 4.44Å; K9-Y185 HydrophobicContact CB-CE1 4.5Å; G79-Y185 PolarHBondContact O-OH 3.22Å; A81-Y185 WeakPolarHBondContact CA-OH 3.27Å; A81-Y185 HydrophobicContact CB-CE2 4.32Å; A81-Y185 WeakPolarHBondContact CB-OH 3.42Å; A81-Y185 PolarHBondContact N-OH 3.29Å; A81-Y185 VanDerWaalsContact N-OH 3.14Å; L110-Y185 HydrophobicContact CD1-CE2 4.07Å; L110-Y185 WeakPolarHBondContact CD1-OH 2.95Å; M183-Y185 HydrophobicContact CB-CD2 3.53Å; M183-Y185 HydrophobicContact CB-CE2 3.88Å; M183-Y185 HydrophobicContact CB-CG 4.45Å; M183-Y185 HydrophobicContact CG-CD2 3.69Å; M183-Y185 HydrophobicContact CG-CE2 3.5Å; M183-Y185 PolarHBondContact O-N 3.29Å; M183-Y185 HydrophobicContact SD-CD2 3.62Å; M183-Y185 HydrophobicContact SD-CE2 3.42Å; M183-Y185 WeakPolarHBondContact SD-CE2 3.36Å; Y185-V187 PolarHBondContact O-N 2.57Å
186P37.8Very low42.4Very low90 Ų9090.7 Ų90.758%0.58454%0.535SS*.  trans-56.3100.3143.816.7-9.2000103.2S184 G188S184-P186 VanDerWaalsContact O-CD 3.31Å; S184-P186 WeakPolarHBondContact O-CD 3.2Å; P186-G188 PolarHBondContact O-N 3.31Å
187V43.8Very low39.5Very low80 Ų8090.1 Ų90.149%0.48554%0.539SS..  trans-59.881.1150-179.10000102.3Y185 I189Y185-V187 PolarHBondContact O-N 2.57Å; V187-I189 HydrophobicContact CG1-CG1 4Å; V187-I189 PolarHBondContact O-N 2.9Å
188G41.2Very low37.5Very low24 Ų2491 Ų9125%0.24755%0.548CS..  trans-70.378.817400000104.2Y4 P186 G190Y4-G188 WeakPolarHBondContact CE2-O 3.33Å; P186-G188 PolarHBondContact O-N 3.31Å; G188-G190 PolarHBondContact O-N 2.82Å
189I37.9Very low36Very low130 Ų13094.8 Ų94.867%0.66758%0.575SS**  trans-51.7115.3157.9-57.6179.7000103V187V187-I189 HydrophobicContact CG1-CG1 4Å; V187-I189 PolarHBondContact O-N 2.9Å
190G38Very low35.2Very low25 Ų2598.1 Ų98.126%0.25859%0.592SS.*THydrogen-bonded Turntrans-46.3158.7-176.500000111.6G188 A192G188-G190 PolarHBondContact O-N 2.82Å; G190-A192 VanDerWaalsContact C-N 3.31Å; G190-A192 PolarHBondContact O-N 3.05Å
191P34.6Very low34.2Very low106 Ų106102.1 Ų102.169%0.68860%0.603SS**THydrogen-bonded Turntrans-48.989.7-15025.3-36.2000113.6
192A34.9Very low33.5Very low76 Ų76101.5 Ų101.563%0.62860%0.604SS**SBendtrans-143.1105.2149.800000103.1G190G190-A192 VanDerWaalsContact C-N 3.31Å; G190-A192 PolarHBondContact O-N 3.05Å
193H27.5Very low32.7Very low162 Ų162101 Ų10175%0.7561%0.609SS**  trans88.163.6177.3-134.451000117.4T195H193-T195 PolarHBondContact NE2-OG1 2.76Å; H193-T195 PolarHBondContact O-N 3.26Å
194L27.1Very low32Very low138 Ų138107.1 Ų107.172%0.72364%0.642SS**  trans-85.989.2150.1-72.5167.2000108F196L194-F196 HydrophobicContact CB-CE2 4.24Å; L194-F196 HydrophobicContact CD2-CE2 4.42Å; L194-F196 HydrophobicContact CD2-CZ 4.43Å
195T24.7Very low31.6Very low93 Ų93107.5 Ų107.557%0.57165%0.645SS**  trans-99.9101.8159.137.40000107H193 P197H193-T195 PolarHBondContact NE2-OG1 2.76Å; H193-T195 PolarHBondContact O-N 3.26Å; T195-P197 WeakPolarHBondContact O-CD 3.05Å
196F25.9Very low30.9Very low176 Ų176112 Ų11277%0.77268%0.676SS**  trans-68.5119169.5-72.8-86.9000108.2L194 G198L194-F196 HydrophobicContact CB-CE2 4.24Å; L194-F196 HydrophobicContact CD2-CE2 4.42Å; L194-F196 HydrophobicContact CD2-CZ 4.43Å; F196-G198 PolarHBondContact O-N 3.46Å
197P26.4Very low30.5Very low127 Ų127117 Ų11783%0.82569%0.688SS**  trans-76.3124170.318.5-7.7000108.7T195T195-P197 WeakPolarHBondContact O-CD 3.05Å
198G26.7Very low29.8Very low74 Ų74119.3 Ų119.376%0.76371%0.708SS**  trans86.160.6154.300000116.8F196 N200F196-G198 PolarHBondContact O-N 3.46Å; G198-N200 VanDerWaalsContact C-N 3.33Å
199S26.5Very low29.5Very low120 Ų120122.7 Ų122.784%0.83973%0.728SS**  trans-100.861.1141.665.40000108.8
200N27.7Very low29.2Very low160 Ų160126 Ų12686%0.85674%0.738SS**  trans-103.862.1164.4-96.5-2.2000107.7G198G198-N200 VanDerWaalsContact C-N 3.33Å
201E27.3Very low29.1Very low175 Ų175132.8 Ų132.882%0.81877%0.767SS**  trans-11788156.3-77.4-171.3163.300106.5V203E201-V203 PolarHBondContact O-N 2.72Å
202S28.1Very low28.8Very low103 Ų103133.6 Ų133.672%0.7277%0.774SS**  trans-57.293.8155.838.20000107.1N204S202-N204 PolarHBondContact O-N 3.17Å
203V28.2Very low28.4Very low120 Ų120136.2 Ų136.273%0.72779%0.786SS**  trans-66.883.9166.4-179.30000106.8E201 S205E201-V203 PolarHBondContact O-N 2.72Å; V203-S205 PolarHBondContact O-N 3.32Å
204N26.5Very low28.5Very low137 Ų137140.2 Ų140.273%0.73380%0.795SS**  trans-64.584.4157.4-91.4-16.8000106.7S202 T206S202-N204 PolarHBondContact O-N 3.17Å; N204-T206 PolarHBondContact O-N 3.4Å; N204-T206 PolarHBondContact O-OG1 2.95Å
205S28.3Very low29.4Very low108 Ų108143 Ų14376%0.75583%0.826SS**  trans-7278.5164.148.90000108.1V203 K207V203-S205 PolarHBondContact O-N 3.32Å; S205-K207 PolarHBondContact O-N 3.11Å
206T29.7Very low29.6Very low128 Ų128145.6 Ų145.679%0.78584%0.839SS**  trans-65.7121.6170.6-25.40000108N204 S208N204-T206 PolarHBondContact O-N 3.4Å; N204-T206 PolarHBondContact O-OG1 2.95Å; T206-S208 PolarHBondContact O-N 3.5Å
207K29.4Very low29.8Very low195 Ų195143.9 Ų143.985%0.84884%0.842SS**  trans-29.1111.5174-68.4170.1176.21750113.3S205 S209S205-K207 PolarHBondContact O-N 3.11Å; K207-S209 PolarHBondContact O-N 3Å; K207-S209 VanDerWaalsContact O-N 3.08Å
208S30Very low30Very low128 Ų128144.9 Ų144.990%0.89584%0.843SS**  trans-74.895.1162.4-170.60000108.4T206T206-S208 PolarHBondContact O-N 3.5Å
209S33.6Very low30.2Very low96 Ų96149.1 Ų149.167%0.67185%0.848SS**  trans-73.1128.2170.549.50000110.3K207 L211K207-S209 PolarHBondContact O-N 3Å; K207-S209 VanDerWaalsContact O-N 3.08Å; S209-L211 PolarHBondContact O-N 2.81Å
210K32.3Very low30.4Very low199 Ų199150.9 Ų150.987%0.86585%0.849SS**  trans-37.6125.6163.3-66.3170.9174.8176.30112.2
211L34.8Very low30.6Very low167 Ų167150.3 Ų150.387%0.87485%0.848SS**  trans-147.581.1158.1-12976.3000106.7S209S209-L211 PolarHBondContact O-N 2.81Å
212C29.2Very low30.9Very low123 Ų123148.5 Ų148.583%0.83185%0.85SS**  46.598.4106.1-88.20000114.9R214C212-R214 PolarHBondContact O-N 3.38Å
213C26.4Very low31.1Very low132 Ų132152 Ų15289%0.89286%0.86SS**  trans-61.7121.1161.3-50.90000110.2
214R29.9Very low31.3Very low245 Ų245154.7 Ų154.793%0.92587%0.872SS**  trans-153.2103.9158-83.9-164.4175-170.1-2.7110.1C212C212-R214 PolarHBondContact O-N 3.38Å
215S45.6Very low31.7Very low198 Ų198156.3 Ų156.3100%1.38588%0.884SS**  trans-179.50134.652.50000107.4

Retrieved 215 of 215 residues in 642.7 ms (Link to these results)

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