A0A077ZK17_TRITR Loading...

Peptidase M14 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZK17, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 230 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
1M90.8Very high95.3Very high33 Ų3354.5 Ų54.516%0.16327%0.274CS..  0122.20175174.370.100105.1L3 V43 R48 V52 K64M1-L3 HydrophobicContact CE-CD1 3.84Å; M1-L3 HydrophobicContact CE-CD2 3.62Å; M1-L3 HydrophobicContact CE-CG 3.93Å; M1-L3 HydrophobicContact CG-CD2 3.84Å; M1-L3 HydrophobicContact CG-CG 4.35Å; M1-L3 HydrophobicContact SD-CD2 3.89Å; M1-V43 HydrophobicContact CB-CB 4.5Å; M1-V43 HydrophobicContact CE-CB 4.5Å; M1-V43 PolarHBondContact N-O 3.38Å; M1-V43 PolarHBondContact O-N 3.11Å; M1-R48 HydrophobicContact CB-CG 4.27Å; M1-R48 HydrophobicContact CE-CB 4.3Å; M1-R48 HydrophobicContact CE-CG 4.25Å; M1-V52 HydrophobicContact CE-CG2 4Å; M1-K64 HydrophobicContact CG-CD 4.26Å; M1-K64 HydrophobicContact CG-CG 4.02Å; M1-K64 HydrophobicContact SD-CD 4.16Å; M1-K64 HydrophobicContact SD-CG 4.29Å
2L95.1Very high95.3Very high11 Ų1151.9 Ų51.96%0.05826%0.262CS..EExtended strand (participates in β ladder)trans-93.3127.4179.3-162.870.2000108.4W29 I40 A41 L42 L65 F67 V69L2-W29 HydrophobicContact CD1-CD2 4.31Å; L2-W29 HydrophobicContact CD1-CE3 4.2Å; L2-W29 HydrophobicContact CD1-CZ3 4.46Å; L2-I40 HydrophobicContact CD1-CG2 3.68Å; L2-I40 HydrophobicContact CD2-CG2 4.19Å; L2-I40 HydrophobicContact CG-CG2 3.89Å; L2-A41 WeakPolarHBondContact CA-O 3.32Å; L2-L42 HydrophobicContact CD1-CB 4.15Å; L2-L42 HydrophobicContact CD1-CD1 4.44Å; L2-L65 HydrophobicContact CB-CB 4.27Å; L2-L65 HydrophobicContact CD2-CB 4.22Å; L2-L65 HydrophobicContact CD2-CD1 3.72Å; L2-L65 HydrophobicContact CG-CB 4.4Å; L2-L65 HydrophobicContact CG-CD1 3.96Å; L2-L65 PolarHBondContact O-N 3.12Å; L2-F67 HydrophobicContact CD2-CB 4.42Å; L2-F67 HydrophobicContact CD2-CD1 4.27Å; L2-V69 HydrophobicContact CB-CG2 4.46Å; L2-V69 HydrophobicContact CD1-CG2 4.37Å
3L96.5Very high95.2Very high0 Ų051 Ų510%026%0.256CS..EExtended strand (participates in β ladder)trans-117.2137.6-178.8-62.1-176.1000109.5M1 I5 I40 A41 V43 V51 L55 W62 T63 K64M1-L3 HydrophobicContact CE-CD1 3.84Å; M1-L3 HydrophobicContact CE-CD2 3.62Å; M1-L3 HydrophobicContact CE-CG 3.93Å; M1-L3 HydrophobicContact CG-CD2 3.84Å; M1-L3 HydrophobicContact CG-CG 4.35Å; M1-L3 HydrophobicContact SD-CD2 3.89Å; L3-I5 HydrophobicContact CB-CD1 4.38Å; L3-I5 HydrophobicContact CB-CG1 4.1Å; L3-I40 CarbonylContact O-C 3.48Å; L3-I40 WeakPolarHBondContact O-CA 3.49Å; L3-A41 PolarHBondContact N-O 2.66Å; L3-A41 PolarHBondContact O-N 2.97Å; L3-V43 HydrophobicContact CD1-CG2 3.83Å; L3-V43 HydrophobicContact CG-CG2 4.24Å; L3-V51 HydrophobicContact CD1-CG1 4.27Å; L3-L55 HydrophobicContact CD1-CD1 3.75Å; L3-W62 HydrophobicContact CD2-CE3 3.64Å; L3-W62 HydrophobicContact CD2-CZ3 3.87Å; L3-T63 WeakPolarHBondContact CA-O 3.35Å; L3-K64 HydrophobicContact CD2-CB 4.2Å
4E97.2Very high95Very high72 Ų7257 Ų5734%0.33628%0.28SS..EExtended strand (participates in β ladder)trans-97.9125.1161.3-174.1175.376.400107.9A38 A39 W62 T63 L65E4-A38 HydrophobicContact CG-CB 3.75Å; E4-A39 CarbonylContact C-O 3.49Å; E4-A39 WeakPolarHBondContact CA-O 3.34Å; E4-W62 CarbonylContact O-C 3.56Å; E4-W62 WeakPolarHBondContact O-CA 3.42Å; E4-T63 PolarHBondContact N-O 3.01Å; E4-T63 PolarHBondContact O-N 3.4Å; E4-L65 HydrophobicContact CB-CD1 4.25Å; E4-L65 HydrophobicContact CB-CD2 3.98Å; E4-L65 HydrophobicContact CB-CG 4.05Å
5I96.9Very high95Very high0 Ų054.5 Ų54.50%027%0.268CS..EExtended strand (participates in β ladder)trans-126.6129.4-176.2-48.1164.7000108.5L3 P7 L16 A39 A41 L55 L60 E61 W62L3-I5 HydrophobicContact CB-CD1 4.38Å; L3-I5 HydrophobicContact CB-CG1 4.1Å; I5-P7 WeakPolarHBondContact O-CD 3.44Å; I5-L16 HydrophobicContact CB-CD2 4.38Å; I5-L16 HydrophobicContact CD1-CD2 4.04Å; I5-L16 HydrophobicContact CG2-CD1 4.29Å; I5-L16 HydrophobicContact CG2-CD2 3.81Å; I5-A39 PolarHBondContact N-O 2.9Å; I5-A39 PolarHBondContact O-N 2.86Å; I5-A41 HydrophobicContact CD1-CB 3.93Å; I5-L55 HydrophobicContact CD1-CD1 4.27Å; I5-L55 HydrophobicContact CD1-CD2 4Å; I5-L55 HydrophobicContact CG2-CD2 4.3Å; I5-L60 HydrophobicContact CG2-CB 4.25Å; I5-E61 WeakPolarHBondContact CA-O 3.49Å; I5-E61 WeakPolarHBondContact CG2-O 3.46Å; I5-W62 HydrophobicContact CB-CB 4.49Å; I5-W62 HydrophobicContact CG1-CB 4Å; I5-W62 HydrophobicContact CG2-CB 4.4Å
6V95.9Very high95Very high40 Ų4051.7 Ų51.724%0.24225%0.254CS..EExtended strand (participates in β ladder)trans-112.998.1-176.7-174.60000109.6R8 A38 E61V6-R8 PolarHBondContact O-N 2.79Å; V6-A38 HydrophobicContact CG2-CB 4.2Å; V6-E61 PolarHBondContact N-O 2.86Å
7P95.2Very high94.8Very high0 Ų058.2 Ų58.20%028%0.275CS..  trans-70.2124.8172.829.8-32.4000109.1I5 D12 Q13 L16 A32 P35 G36 Q37I5-P7 WeakPolarHBondContact O-CD 3.44Å; P7-D12 HydrophobicContact CB-CB 3.43Å; P7-D12 VanDerWaalsContact CB-CB 3.43Å; P7-Q13 HydrophobicContact CB-CG 3.9Å; P7-Q13 HydrophobicContact CG-CG 3.99Å; P7-L16 HydrophobicContact CB-CD1 3.96Å; P7-L16 HydrophobicContact CG-CD1 3.79Å; P7-A32 HydrophobicContact CG-CB 3.39Å; P7-P35 CarbonylContact O-C 3.55Å; P7-P35 VanDerWaalsContact O-CA 3.32Å; P7-P35 WeakPolarHBondContact O-CA 3.45Å; P7-G36 PolarHBondContact O-N 3.5Å; P7-Q37 WeakPolarHBondContact CD-O 3.43Å
8R95.1Very high94.7Very high157 Ų15759.4 Ų59.459%0.59228%0.284SS*.  trans-95.1-19.8-180-66.7-176.4173.2-157.4-1.9112.6V6 D12 P35 E61V6-R8 PolarHBondContact O-N 2.79Å; R8-D12 WeakPolarHBondContact CA-OD2 3.41Å; R8-D12 PolarHBondContact N-OD2 3.45Å; R8-P35 WeakPolarHBondContact O-CB 3.24Å; R8-E61 IonicContact CZ-OE1 3.15Å; R8-E61 IonicContact CZ-OE2 3.14Å; R8-E61 IonicContact NE-OE1 2.73Å; R8-E61 PolarHBondContact NE-OE1 3.25Å; R8-E61 IonicContact NE-OE2 2.9Å; R8-E61 PolarHBondContact NE-OE2 2.92Å; R8-E61 IonicContact NH1-OE1 3.73Å; R8-E61 IonicContact NH2-OE1 3.81Å; R8-E61 PolarHBondContact NH2-OE1 2.85Å; R8-E61 IonicContact NH2-OE2 2.72Å; R8-E61 PolarHBondContact NH2-OE2 3.28Å
9T95.6Very high94.6Very high62 Ų6256.4 Ų56.438%0.3827%0.27SS..SBendtrans-125.5166.4-179.375.30000112.2T11 D12 Q13T9-T11 PolarHBondContact O-N 2.95Å; T9-T11 PolarHBondContact OG1-N 2.85Å; T9-D12 PolarHBondContact N-OD2 3.34Å; T9-D12 WeakPolarHBondContact O-CB 3.16Å; T9-D12 PolarHBondContact O-N 2.83Å; T9-D12 PolarHBondContact OG1-N 3.17Å; T9-D12 VanDerWaalsContact OG1-N 3.07Å; T9-D12 PolarHBondContact OG1-OD1 3.35Å; T9-D12 PolarHBondContact OG1-OD2 3.4Å; T9-Q13 PolarHBondContact O-N 3.4Å
10I94.6Very high94.5Very high133 Ų13357.4 Ų57.468%0.68227%0.274SS*.Hα-helixtrans-62.1-34.7171.6-61.5173.8000110.5D12 Q13 K14 P35I10-D12 VanDerWaalsContact C-N 3.32Å; I10-D12 PolarHBondContact O-N 2.91Å; I10-Q13 WeakPolarHBondContact O-CB 3.46Å; I10-Q13 PolarHBondContact O-N 3.11Å; I10-K14 PolarHBondContact O-N 3.36Å; I10-P35 HydrophobicContact CG1-CG 4.25Å
11T95.2Very high94.2Very high92 Ų9261 Ų6156%0.56429%0.29SS*.Hα-helixtrans-62.2-42.1175.2-52.70000111T9 Q13 K14 N15T9-T11 PolarHBondContact O-N 2.95Å; T9-T11 PolarHBondContact OG1-N 2.85Å; T11-Q13 VanDerWaalsContact C-N 3.32Å; T11-Q13 PolarHBondContact O-N 2.81Å; T11-K14 WeakPolarHBondContact O-CB 3.32Å; T11-K14 PolarHBondContact O-N 3.43Å; T11-K14 VanDerWaalsContact O-N 3.14Å; T11-N15 VanDerWaalsContact O-CG 3.22Å; T11-N15 PolarHBondContact O-N 3.19Å; T11-N15 PolarHBondContact O-ND2 3.4Å
12D95.6Very high94.2Very high23 Ų2360.9 Ų60.912%0.12330%0.298CS..Hα-helixtrans-62.2-41.7177.4-59.1-11.3000111.3P7 R8 T9 I10 K14 N15 L16 L60P7-D12 HydrophobicContact CB-CB 3.43Å; P7-D12 VanDerWaalsContact CB-CB 3.43Å; R8-D12 WeakPolarHBondContact CA-OD2 3.41Å; R8-D12 PolarHBondContact N-OD2 3.45Å; T9-D12 PolarHBondContact N-OD2 3.34Å; T9-D12 WeakPolarHBondContact O-CB 3.16Å; T9-D12 PolarHBondContact O-N 2.83Å; T9-D12 PolarHBondContact OG1-N 3.17Å; T9-D12 VanDerWaalsContact OG1-N 3.07Å; T9-D12 PolarHBondContact OG1-OD1 3.35Å; T9-D12 PolarHBondContact OG1-OD2 3.4Å; I10-D12 VanDerWaalsContact C-N 3.32Å; I10-D12 PolarHBondContact O-N 2.91Å; D12-K14 VanDerWaalsContact C-N 3.31Å; D12-K14 PolarHBondContact O-N 2.93Å; D12-N15 WeakPolarHBondContact O-CB 3.47Å; D12-N15 PolarHBondContact O-N 3.1Å; D12-L16 WeakPolarHBondContact O-CG 3.43Å; D12-L16 PolarHBondContact O-N 3.13Å; D12-L60 HydrophobicContact CB-CD2 3.49Å; D12-L60 VanDerWaalsContact CB-CD2 3.49Å
13Q93.8Very high94Very high40 Ų4067.7 Ų67.719%0.18733%0.334CS..Hα-helixtrans-61.6-41174.8-65.6-171.2-5800112P7 T9 I10 T11 N15 L16 R17 A32 A33 L34 P35P7-Q13 HydrophobicContact CB-CG 3.9Å; P7-Q13 HydrophobicContact CG-CG 3.99Å; T9-Q13 PolarHBondContact O-N 3.4Å; I10-Q13 WeakPolarHBondContact O-CB 3.46Å; I10-Q13 PolarHBondContact O-N 3.11Å; T11-Q13 VanDerWaalsContact C-N 3.32Å; T11-Q13 PolarHBondContact O-N 2.81Å; Q13-N15 VanDerWaalsContact C-N 3.35Å; Q13-L16 PolarHBondContact O-N 3.41Å; Q13-R17 PolarHBondContact O-N 2.72Å; Q13-A32 PolarHBondContact NE2-O 3.03Å; Q13-A33 PolarHBondContact NE2-O 3.11Å; Q13-L34 VanDerWaalsContact NE2-N 3.11Å; Q13-P35 HydrophobicContact CG-CG 4.3Å
14K93.1Very high93.7Very high135 Ų13569.2 Ų69.259%0.58734%0.342SS*.Hα-helixtrans-61.3-45174.9-173.3-176.4173.3-172.50110.9I10 T11 D12 L16 R17 D18I10-K14 PolarHBondContact O-N 3.36Å; T11-K14 WeakPolarHBondContact O-CB 3.32Å; T11-K14 PolarHBondContact O-N 3.43Å; T11-K14 VanDerWaalsContact O-N 3.14Å; D12-K14 VanDerWaalsContact C-N 3.31Å; D12-K14 PolarHBondContact O-N 2.93Å; K14-L16 VanDerWaalsContact C-N 3.3Å; K14-L16 PolarHBondContact O-N 3.49Å; K14-R17 WeakPolarHBondContact O-CB 3.46Å; K14-R17 PolarHBondContact O-N 3.49Å; K14-R17 VanDerWaalsContact O-N 3.12Å; K14-D18 VanDerWaalsContact O-CG 3.32Å; K14-D18 PolarHBondContact O-N 2.91Å
15N94.4Very high93.4Very high20 Ų2070.3 Ų70.311%0.10735%0.348CS..Hα-helixtrans-60.1-39.2176.4-61.4-27.1000111.9T11 D12 Q13 D18 L19 Y54 H58 L60T11-N15 VanDerWaalsContact O-CG 3.22Å; T11-N15 PolarHBondContact O-N 3.19Å; T11-N15 PolarHBondContact O-ND2 3.4Å; D12-N15 WeakPolarHBondContact O-CB 3.47Å; D12-N15 PolarHBondContact O-N 3.1Å; Q13-N15 VanDerWaalsContact C-N 3.35Å; N15-D18 PolarHBondContact O-N 2.89Å; N15-L19 WeakPolarHBondContact O-CB 3.41Å; N15-L19 PolarHBondContact O-N 2.87Å; N15-Y54 HydrophobicContact CB-CE1 4.45Å; N15-Y54 PolarHBondContact O-OH 2.99Å; N15-H58 VanDerWaalsContact CG-CD2 3.41Å; N15-H58 PolarHBondContact ND2-CD2 2.75Å; N15-H58 PolarHBondContact OD1-CD2 3.42Å; N15-L60 HydrophobicContact CB-CD1 4.25Å
16L94.5Very high93.2Very high9 Ų970.7 Ų70.75%0.04735%0.35CS..Hα-helixtrans-66.2-38.3175-67.6-175.3000112.8I5 P7 D12 Q13 K14 L19 E20 F28 A32 A39 L55 L60I5-L16 HydrophobicContact CB-CD2 4.38Å; I5-L16 HydrophobicContact CD1-CD2 4.04Å; I5-L16 HydrophobicContact CG2-CD1 4.29Å; I5-L16 HydrophobicContact CG2-CD2 3.81Å; P7-L16 HydrophobicContact CB-CD1 3.96Å; P7-L16 HydrophobicContact CG-CD1 3.79Å; D12-L16 WeakPolarHBondContact O-CG 3.43Å; D12-L16 PolarHBondContact O-N 3.13Å; Q13-L16 PolarHBondContact O-N 3.41Å; K14-L16 VanDerWaalsContact C-N 3.3Å; K14-L16 PolarHBondContact O-N 3.49Å; L16-L19 WeakPolarHBondContact O-CB 3.37Å; L16-L19 PolarHBondContact O-N 3.29Å; L16-E20 PolarHBondContact O-N 3.07Å; L16-F28 HydrophobicContact CB-CE1 4.48Å; L16-F28 HydrophobicContact CB-CZ 4.34Å; L16-F28 HydrophobicContact CD2-CE1 4.42Å; L16-F28 HydrophobicContact CD2-CZ 4.3Å; L16-A32 HydrophobicContact CD1-CB 4.47Å; L16-A39 HydrophobicContact CD1-CB 4.09Å; L16-L55 HydrophobicContact CD2-CD2 4.49Å; L16-L60 HydrophobicContact CD2-CD1 3.86Å
17R91.8Very high93.1Very high162 Ų16271.6 Ų71.661%0.61135%0.354SS*.Hα-helixtrans-66.8-39.5175.4-173.1177.7-178.6-174.2-0.7112Q13 K14 L19 E20 H21Q13-R17 PolarHBondContact O-N 2.72Å; K14-R17 WeakPolarHBondContact O-CB 3.46Å; K14-R17 PolarHBondContact O-N 3.49Å; K14-R17 VanDerWaalsContact O-N 3.12Å; R17-L19 VanDerWaalsContact C-N 3.27Å; R17-L19 PolarHBondContact O-N 3.01Å; R17-E20 PolarHBondContact O-N 3.22Å; R17-H21 PolarHBondContact O-CD2 3.3Å; R17-H21 PolarHBondContact O-N 2.77Å
18D93.1Very high93.1Very high80 Ų8072.2 Ų72.243%0.42836%0.357SS..Hα-helixtrans-64.9-35.4174.6-66.9-16.2000110.7K14 N15 G22K14-D18 VanDerWaalsContact O-CG 3.32Å; K14-D18 PolarHBondContact O-N 2.91Å; N15-D18 PolarHBondContact O-N 2.89Å; D18-G22 WeakPolarHBondContact O-CA 3.34Å; D18-G22 PolarHBondContact O-N 3.49Å
19L93.2Very high93Very high3 Ų370.2 Ų70.22%0.01635%0.349CS..Hα-helixtrans-68.9-37.2173.6-173.464000113N15 L16 R17 L24 V26 F28 V51 Y54 L55N15-L19 WeakPolarHBondContact O-CB 3.41Å; N15-L19 PolarHBondContact O-N 2.87Å; L16-L19 WeakPolarHBondContact O-CB 3.37Å; L16-L19 PolarHBondContact O-N 3.29Å; R17-L19 VanDerWaalsContact C-N 3.27Å; R17-L19 PolarHBondContact O-N 3.01Å; L19-L24 HydrophobicContact CD1-CB 4.26Å; L19-L24 HydrophobicContact CD1-CD1 3.7Å; L19-L24 HydrophobicContact CD1-CG 4.48Å; L19-V26 HydrophobicContact CD1-CG2 3.95Å; L19-V26 HydrophobicContact CD2-CG2 4.32Å; L19-V26 HydrophobicContact CG-CB 4.28Å; L19-V26 HydrophobicContact CG-CG2 3.87Å; L19-F28 HydrophobicContact CD2-CZ 4.33Å; L19-V51 HydrophobicContact CD2-CG1 4.25Å; L19-Y54 HydrophobicContact CB-CD1 4.46Å; L19-Y54 HydrophobicContact CB-CE1 3.96Å; L19-Y54 HydrophobicContact CD1-CD1 3.88Å; L19-Y54 HydrophobicContact CD1-CE1 4.17Å; L19-Y54 HydrophobicContact CD1-CG 4.14Å; L19-Y54 HydrophobicContact CD2-CD1 4.11Å; L19-Y54 HydrophobicContact CD2-CE1 4.31Å; L19-Y54 HydrophobicContact CG-CD1 4.38Å; L19-Y54 HydrophobicContact CG-CE1 4.38Å; L19-L55 HydrophobicContact CD2-CD2 4.18Å
20E91.6Very high92.9Very high76 Ų7672 Ų7236%0.35535%0.352SS..Hα-helixtrans-65.6-41.5176.7-177.9171.9-158.100112.3L16 R17 F28L16-E20 PolarHBondContact O-N 3.07Å; R17-E20 PolarHBondContact O-N 3.22Å; E20-F28 HydrophobicContact CB-CD2 3.57Å; E20-F28 HydrophobicContact CB-CE2 3.58Å; E20-F28 HydrophobicContact CG-CD2 3.7Å; E20-F28 HydrophobicContact CG-CE2 4.25Å
21H89.6Confident92.8Very high133 Ų13368.6 Ų68.662%0.61634%0.343SS*.SBendtrans-96.42.6-178.2-59.3-44.6000114R17R17-H21 PolarHBondContact O-CD2 3.3Å; R17-H21 PolarHBondContact O-N 2.77Å
22G90Very high92.6Very high31 Ų3165 Ų6532%0.3232%0.323SS..SBendtrans-88.4179.3-179.200000114.3D18 L24D18-G22 WeakPolarHBondContact O-CA 3.34Å; D18-G22 PolarHBondContact O-N 3.49Å; G22-L24 PolarHBondContact O-N 3.32Å; G22-L24 VanDerWaalsContact O-N 3.1Å
23D90.5Very high92.2Very high153 Ų15367.5 Ų67.582%0.81835%0.347SS*.THydrogen-bonded Turntrans-72.1-4-175.1-62-36.7000114.8M25D23-M25 VanDerWaalsContact C-N 3.26Å; D23-M25 PolarHBondContact O-N 3.42Å
24L91.9Very high92.1Very high32 Ų3270.5 Ų70.517%0.16836%0.363CS..THydrogen-bonded Turntrans-82.8-1-177.3-62-176.6000113.5L19 G22 V26 F47 K50 V51L19-L24 HydrophobicContact CD1-CB 4.26Å; L19-L24 HydrophobicContact CD1-CD1 3.7Å; L19-L24 HydrophobicContact CD1-CG 4.48Å; G22-L24 PolarHBondContact O-N 3.32Å; G22-L24 VanDerWaalsContact O-N 3.1Å; L24-V26 VanDerWaalsContact C-N 3.28Å; L24-V26 HydrophobicContact CB-CG2 4.1Å; L24-V26 PolarHBondContact O-N 3.19Å; L24-F47 HydrophobicContact CD2-CD1 3.8Å; L24-F47 HydrophobicContact CD2-CE1 4.48Å; L24-F47 WeakPolarHBondContact O-CD2 3.15Å; L24-F47 WeakPolarHBondContact O-CG 3.46Å; L24-K50 HydrophobicContact CD1-CB 4.31Å; L24-K50 HydrophobicContact CD2-CB 3.73Å; L24-K50 HydrophobicContact CD2-CD 3.77Å; L24-K50 HydrophobicContact CD2-CG 4.42Å; L24-V51 HydrophobicContact CB-CG2 4.07Å; L24-V51 HydrophobicContact CD1-CG2 3.95Å
25M89.6Confident92.1Very high96 Ų9666.6 Ų66.647%0.47335%0.352SS..  trans47.148.7176.5-62.4-162.7-68.200112.7D23 F47D23-M25 VanDerWaalsContact C-N 3.26Å; D23-M25 PolarHBondContact O-N 3.42Å; M25-F47 HydrophobicContact CB-CE2 4.38Å; M25-F47 HydrophobicContact CE-CD2 4.43Å; M25-F47 HydrophobicContact CE-CE2 3.34Å; M25-F47 HydrophobicContact CE-CZ 3.72Å
26V93.8Very high92Very high7 Ų768.2 Ų68.24%0.04237%0.373CS..  trans-83120.5177.5-178.50000108.8L19 L24 F28 A41 V43 V51L19-V26 HydrophobicContact CD1-CG2 3.95Å; L19-V26 HydrophobicContact CD2-CG2 4.32Å; L19-V26 HydrophobicContact CG-CB 4.28Å; L19-V26 HydrophobicContact CG-CG2 3.87Å; L24-V26 VanDerWaalsContact C-N 3.28Å; L24-V26 HydrophobicContact CB-CG2 4.1Å; L24-V26 PolarHBondContact O-N 3.19Å; V26-F28 HydrophobicContact CB-CE2 4.08Å; V26-F28 HydrophobicContact CG1-CD2 4Å; V26-F28 HydrophobicContact CG1-CE2 3.58Å; V26-F28 HydrophobicContact CG1-CZ 4.1Å; V26-A41 HydrophobicContact CG1-CB 3.72Å; V26-V43 HydrophobicContact CG1-CG2 4.3Å; V26-V51 HydrophobicContact CG2-CG1 4.48Å; V26-V51 HydrophobicContact CG2-CG2 3.62Å
27D93.7Very high92Very high59 Ų5971.7 Ų71.732%0.31639%0.389SS..EExtended strand (participates in β ladder)trans-92.1108.3178.8171.624000110.1W29 L42 R177D27-W29 PolarHBondContact O-N 3.31Å; D27-W29 VanDerWaalsContact OD2-CD1 3.3Å; D27-W29 PolarHBondContact OD2-NE1 3.1Å; D27-L42 HydrophobicContact CB-CB 4.2Å; D27-L42 PolarHBondContact N-O 2.81Å; D27-L42 PolarHBondContact O-N 3.39Å; D27-R177 VanDerWaalsContact CG-NH1 3.33Å; D27-R177 IonicContact OD1-CZ 2.93Å; D27-R177 IonicContact OD1-NH1 2.66Å; D27-R177 PolarHBondContact OD1-NH1 2.81Å; D27-R177 IonicContact OD1-NH2 3.11Å; D27-R177 IonicContact OD2-NH1 3.5Å; D27-R177 PolarHBondContact OD2-NH1 2.86Å; D27-R177 VanDerWaalsContact OD2-NH1 3.15Å
28F95.1Very high92.1Very high13 Ų1364.9 Ų64.96%0.05737%0.368CS..EExtended strand (participates in β ladder)trans-81.5113.1175.2-75-96.1000110.4L16 L19 E20 V26 K30 A39 I40 A41 R177L16-F28 HydrophobicContact CB-CE1 4.48Å; L16-F28 HydrophobicContact CB-CZ 4.34Å; L16-F28 HydrophobicContact CD2-CE1 4.42Å; L16-F28 HydrophobicContact CD2-CZ 4.3Å; L19-F28 HydrophobicContact CD2-CZ 4.33Å; E20-F28 HydrophobicContact CB-CD2 3.57Å; E20-F28 HydrophobicContact CB-CE2 3.58Å; E20-F28 HydrophobicContact CG-CD2 3.7Å; E20-F28 HydrophobicContact CG-CE2 4.25Å; V26-F28 HydrophobicContact CB-CE2 4.08Å; V26-F28 HydrophobicContact CG1-CD2 4Å; V26-F28 HydrophobicContact CG1-CE2 3.58Å; V26-F28 HydrophobicContact CG1-CZ 4.1Å; F28-K30 VanDerWaalsContact C-N 3.35Å; F28-A39 HydrophobicContact CD1-CB 4.2Å; F28-A39 HydrophobicContact CE1-CB 4.15Å; F28-I40 CarbonylContact C-O 3.56Å; F28-I40 WeakPolarHBondContact CA-O 3.28Å; F28-A41 HydrophobicContact CD1-CB 3.97Å; F28-A41 HydrophobicContact CE1-CB 3.83Å; F28-A41 HydrophobicContact CG-CB 4.46Å; F28-A41 HydrophobicContact CZ-CB 4.2Å; F28-R177 PolarHBondContact O-NH2 2.86Å
29W93Very high92.3Very high115 Ų11561.1 Ų61.144%0.43635%0.348SS..EExtended strand (participates in β ladder)trans-78.1-27.6172.1-72.214.4000111.4L2 D27 I40 L42 V69L2-W29 HydrophobicContact CD1-CD2 4.31Å; L2-W29 HydrophobicContact CD1-CE3 4.2Å; L2-W29 HydrophobicContact CD1-CZ3 4.46Å; D27-W29 PolarHBondContact O-N 3.31Å; D27-W29 VanDerWaalsContact OD2-CD1 3.3Å; D27-W29 PolarHBondContact OD2-NE1 3.1Å; W29-I40 HydrophobicContact CB-CB 4.44Å; W29-I40 HydrophobicContact CB-CG2 4.22Å; W29-I40 PolarHBondContact N-O 3.08Å; W29-L42 HydrophobicContact CZ2-CD2 3.91Å; W29-V69 HydrophobicContact CH2-CG1 3.92Å; W29-V69 HydrophobicContact CH2-CG2 3.79Å; W29-V69 HydrophobicContact CZ2-CG1 3.98Å; W29-V69 HydrophobicContact CZ2-CG2 4.2Å; W29-V69 HydrophobicContact CZ3-CG2 4.48Å
30K93.2Very high92.4Very high101 Ų10163.1 Ų63.144%0.43936%0.358SS..EExtended strand (participates in β ladder)trans-143.8118172.6-179.1-173.5174-1590108.8F28 A38 A39 I40F28-K30 VanDerWaalsContact C-N 3.35Å; K30-A38 WeakPolarHBondContact CD-O 3.5Å; K30-A38 VanDerWaalsContact CE-O 3.27Å; K30-A38 WeakPolarHBondContact CE-O 3.46Å; K30-A38 PolarHBondContact NZ-O 2.93Å; K30-A38 VanDerWaalsContact NZ-O 3.08Å; K30-A39 CarbonylContact O-C 3.53Å; K30-A39 WeakPolarHBondContact O-CA 3.28Å; K30-A39 WeakPolarHBondContact O-CB 3.46Å; K30-I40 HydrophobicContact CB-CB 4.06Å; K30-I40 HydrophobicContact CB-CD1 4.43Å; K30-I40 HydrophobicContact CB-CG1 4.22Å; K30-I40 HydrophobicContact CD-CD1 4.45Å; K30-I40 PolarHBondContact N-O 3.45Å; K30-I40 PolarHBondContact O-N 2.86Å
31A91.5Very high92.7Very high61 Ų6159.5 Ų59.550%0.50434%0.341SS..  trans-78.1149.9170.700000110.9A33A31-A33 PolarHBondContact O-N 3.22Å
32A90.8Very high92.9Very high16 Ų1655 Ų5513%0.13232%0.321CS..  trans-87.299.1172.500000110P7 Q13 L16 L34 Q37 A39P7-A32 HydrophobicContact CG-CB 3.39Å; Q13-A32 PolarHBondContact NE2-O 3.03Å; L16-A32 HydrophobicContact CD1-CB 4.47Å; A32-L34 VanDerWaalsContact C-N 3.33Å; A32-L34 PolarHBondContact O-N 2.96Å; A32-Q37 WeakPolarHBondContact CB-O 3.34Å; A32-A39 HydrophobicContact CB-CB 3.86Å
33A87.7Confident93.2Very high75 Ų7553.5 Ų53.562%0.6231%0.306SS*.  trans-67.7-33.5-178.200000112.6Q13 A31Q13-A33 PolarHBondContact NE2-O 3.11Å; A31-A33 PolarHBondContact O-N 3.22Å
34L91.3Very high93.2Very high103 Ų10352.3 Ų52.354%0.53929%0.29SS..SBendtrans-128.8153.3178-62.7173.5000111.9Q13 A32 G36 Q37Q13-L34 VanDerWaalsContact NE2-N 3.11Å; A32-L34 VanDerWaalsContact C-N 3.33Å; A32-L34 PolarHBondContact O-N 2.96Å; L34-G36 PolarHBondContact O-N 3.41Å; L34-Q37 HydrophobicContact CB-CG 4.22Å; L34-Q37 WeakPolarHBondContact O-CB 3.28Å; L34-Q37 PolarHBondContact O-N 2.88Å; L34-Q37 VanDerWaalsContact O-N 3.11Å
35P93.2Very high93.2Very high53 Ų5360.4 Ų60.434%0.34432%0.319SS..THydrogen-bonded Turntrans-56.6140169-21.733.8000110.9P7 R8 I10 Q13 Q37P7-P35 CarbonylContact O-C 3.55Å; P7-P35 VanDerWaalsContact O-CA 3.32Å; P7-P35 WeakPolarHBondContact O-CA 3.45Å; R8-P35 WeakPolarHBondContact O-CB 3.24Å; I10-P35 HydrophobicContact CG1-CG 4.25Å; Q13-P35 HydrophobicContact CG-CG 4.3Å; P35-Q37 VanDerWaalsContact C-N 3.32Å
36G93.2Very high93.4Very high54 Ų5461 Ų6156%0.55732%0.321SS*.THydrogen-bonded Turntrans87.4-14.1-173.100000114.5P7 L34P7-G36 PolarHBondContact O-N 3.5Å; L34-G36 PolarHBondContact O-N 3.41Å
37Q93.6Very high93.4Very high82 Ų8262.3 Ų62.338%0.38333%0.325SS..PPolyproline II helixtrans-86128.6175.5-65.1-175.4-16.500111.3P7 A32 L34 P35 A39P7-Q37 WeakPolarHBondContact CD-O 3.43Å; A32-Q37 WeakPolarHBondContact CB-O 3.34Å; L34-Q37 HydrophobicContact CB-CG 4.22Å; L34-Q37 WeakPolarHBondContact O-CB 3.28Å; L34-Q37 PolarHBondContact O-N 2.88Å; L34-Q37 VanDerWaalsContact O-N 3.11Å; P35-Q37 VanDerWaalsContact C-N 3.32Å; Q37-A39 PolarHBondContact O-N 2.84Å
38A95.1Very high93.5Very high20 Ų2063.6 Ų63.617%0.16533%0.326CS..PPolyproline II helixtrans-65.9126.7176.100000112.4E4 V6 K30E4-A38 HydrophobicContact CG-CB 3.75Å; V6-A38 HydrophobicContact CG2-CB 4.2Å; K30-A38 WeakPolarHBondContact CD-O 3.5Å; K30-A38 VanDerWaalsContact CE-O 3.27Å; K30-A38 WeakPolarHBondContact CE-O 3.46Å; K30-A38 PolarHBondContact NZ-O 2.93Å; K30-A38 VanDerWaalsContact NZ-O 3.08Å
39A96.3Very high93.5Very high1 Ų169.8 Ų69.81%0.00836%0.36CS..EExtended strand (participates in β ladder)trans-89.3147.2164.200000110.5E4 I5 L16 F28 K30 A32 Q37E4-A39 CarbonylContact C-O 3.49Å; E4-A39 WeakPolarHBondContact CA-O 3.34Å; I5-A39 PolarHBondContact N-O 2.9Å; I5-A39 PolarHBondContact O-N 2.86Å; L16-A39 HydrophobicContact CD1-CB 4.09Å; F28-A39 HydrophobicContact CD1-CB 4.2Å; F28-A39 HydrophobicContact CE1-CB 4.15Å; K30-A39 CarbonylContact O-C 3.53Å; K30-A39 WeakPolarHBondContact O-CA 3.28Å; K30-A39 WeakPolarHBondContact O-CB 3.46Å; A32-A39 HydrophobicContact CB-CB 3.86Å; Q37-A39 PolarHBondContact O-N 2.84Å
40I96.6Very high93.6Very high44 Ų4470.3 Ų70.323%0.22637%0.365CS..EExtended strand (participates in β ladder)trans-117.4120.5175.1-59176.5000108.5L2 L3 F28 W29 K30 L65L2-I40 HydrophobicContact CD1-CG2 3.68Å; L2-I40 HydrophobicContact CD2-CG2 4.19Å; L2-I40 HydrophobicContact CG-CG2 3.89Å; L3-I40 CarbonylContact O-C 3.48Å; L3-I40 WeakPolarHBondContact O-CA 3.49Å; F28-I40 CarbonylContact C-O 3.56Å; F28-I40 WeakPolarHBondContact CA-O 3.28Å; W29-I40 HydrophobicContact CB-CB 4.44Å; W29-I40 HydrophobicContact CB-CG2 4.22Å; W29-I40 PolarHBondContact N-O 3.08Å; K30-I40 HydrophobicContact CB-CB 4.06Å; K30-I40 HydrophobicContact CB-CD1 4.43Å; K30-I40 HydrophobicContact CB-CG1 4.22Å; K30-I40 HydrophobicContact CD-CD1 4.45Å; K30-I40 PolarHBondContact N-O 3.45Å; K30-I40 PolarHBondContact O-N 2.86Å; I40-L65 HydrophobicContact CG2-CD1 4.33Å
41A96.1Very high93.8Very high1 Ų165.5 Ų65.51%0.00834%0.344CS..EExtended strand (participates in β ladder)trans-123.8125.9-174.200000111.7L2 L3 I5 V26 F28L2-A41 WeakPolarHBondContact CA-O 3.32Å; L3-A41 PolarHBondContact N-O 2.66Å; L3-A41 PolarHBondContact O-N 2.97Å; I5-A41 HydrophobicContact CD1-CB 3.93Å; V26-A41 HydrophobicContact CG1-CB 3.72Å; F28-A41 HydrophobicContact CD1-CB 3.97Å; F28-A41 HydrophobicContact CE1-CB 3.83Å; F28-A41 HydrophobicContact CG-CB 4.46Å; F28-A41 HydrophobicContact CZ-CB 4.2Å
42L95.5Very high94Very high37 Ų3763.6 Ų63.619%0.19433%0.326CS..EExtended strand (participates in β ladder)trans-90.9116.2171177.161.5000110L2 D27 W29 V69L2-L42 HydrophobicContact CD1-CB 4.15Å; L2-L42 HydrophobicContact CD1-CD1 4.44Å; D27-L42 HydrophobicContact CB-CB 4.2Å; D27-L42 PolarHBondContact N-O 2.81Å; D27-L42 PolarHBondContact O-N 3.39Å; W29-L42 HydrophobicContact CZ2-CD2 3.91Å; L42-V69 HydrophobicContact CD1-CB 4.14Å; L42-V69 HydrophobicContact CD1-CG2 3.89Å; L42-V69 HydrophobicContact CD2-CG1 4.42Å
43V94.4Very high94.3Very high1 Ų167.9 Ų67.91%0.00634%0.344CS..  trans-106.5121.3179.4-175.10000110.7M1 L3 V26 F47 R48 V51M1-V43 HydrophobicContact CB-CB 4.5Å; M1-V43 HydrophobicContact CE-CB 4.5Å; M1-V43 PolarHBondContact N-O 3.38Å; M1-V43 PolarHBondContact O-N 3.11Å; L3-V43 HydrophobicContact CD1-CG2 3.83Å; L3-V43 HydrophobicContact CG-CG2 4.24Å; V26-V43 HydrophobicContact CG1-CG2 4.3Å; V43-F47 HydrophobicContact CG1-CB 4.43Å; V43-R48 HydrophobicContact CG1-CG 4.17Å; V43-V51 HydrophobicContact CG1-CB 3.99Å; V43-V51 HydrophobicContact CG1-CG1 4.41Å; V43-V51 HydrophobicContact CG1-CG2 3.72Å; V43-V51 HydrophobicContact CG2-CB 4.4Å; V43-V51 HydrophobicContact CG2-CG1 3.9Å; V43-V51 HydrophobicContact CG2-CG2 4.41Å
44R92.4Very high94.7Very high127 Ų12766.2 Ų66.248%0.47932%0.322SS..  trans-63154.6174.8-68.9177.664158.95.5111.7E46 F47 R48R44-E46 VanDerWaalsContact C-N 3.34Å; R44-E46 HydrophobicContact CB-CG 4.4Å; R44-E46 IonicContact CZ-OE1 3.88Å; R44-E46 IonicContact NE-OE1 2.81Å; R44-E46 PolarHBondContact NE-OE1 3.24Å; R44-E46 IonicContact NH2-OE1 3.95Å; R44-E46 PolarHBondContact NH2-OE1 3.02Å; R44-E46 PolarHBondContact O-N 3.46Å; R44-F47 HydrophobicContact CB-CD2 4.15Å; R44-F47 PolarHBondContact O-N 2.96Å; R44-R48 WeakPolarHBondContact O-CG 3.4Å; R44-R48 PolarHBondContact O-N 3.42Å
45R91.4Very high94.9Very high202 Ų20261.3 Ų61.376%0.76230%0.296SS*.G310 helixtrans-57.3-45.4-172.4-176179.6175.8180-1.8112.4F47 R48R45-F47 VanDerWaalsContact C-N 3.29Å; R45-F47 PolarHBondContact O-N 3.28Å; R45-R48 WeakPolarHBondContact O-CG 3.18Å; R45-R48 PolarHBondContact O-N 3.37Å
46E93.2Very high95.1Very high110 Ų11067.3 Ų67.351%0.51431%0.312SS..G310 helixtrans-63.3-24.9-17944.2-90.8-157.500114.6R44R44-E46 VanDerWaalsContact C-N 3.34Å; R44-E46 HydrophobicContact CB-CG 4.4Å; R44-E46 IonicContact CZ-OE1 3.88Å; R44-E46 IonicContact NE-OE1 2.81Å; R44-E46 PolarHBondContact NE-OE1 3.24Å; R44-E46 IonicContact NH2-OE1 3.95Å; R44-E46 PolarHBondContact NH2-OE1 3.02Å; R44-E46 PolarHBondContact O-N 3.46Å
47F94.8Very high95.2Very high33 Ų3370.5 Ų70.515%0.14531%0.312CS..G310 helixtrans-104.1-2.6-177.6-59.6-74.1000114.5L24 M25 V43 R44 R45 N49 K50 V51L24-F47 HydrophobicContact CD2-CD1 3.8Å; L24-F47 HydrophobicContact CD2-CE1 4.48Å; L24-F47 WeakPolarHBondContact O-CD2 3.15Å; L24-F47 WeakPolarHBondContact O-CG 3.46Å; M25-F47 HydrophobicContact CB-CE2 4.38Å; M25-F47 HydrophobicContact CE-CD2 4.43Å; M25-F47 HydrophobicContact CE-CE2 3.34Å; M25-F47 HydrophobicContact CE-CZ 3.72Å; V43-F47 HydrophobicContact CG1-CB 4.43Å; R44-F47 HydrophobicContact CB-CD2 4.15Å; R44-F47 PolarHBondContact O-N 2.96Å; R45-F47 VanDerWaalsContact C-N 3.29Å; R45-F47 PolarHBondContact O-N 3.28Å; F47-N49 VanDerWaalsContact C-N 3.34Å; F47-N49 PolarHBondContact O-N 2.97Å; F47-K50 HydrophobicContact CD1-CD 4.37Å; F47-K50 PolarHBondContact O-N 3.14Å; F47-K50 VanDerWaalsContact O-N 3.1Å; F47-V51 HydrophobicContact CB-CG2 4.25Å; F47-V51 WeakPolarHBondContact O-CG2 3.27Å; F47-V51 PolarHBondContact O-N 2.96Å
48R94.2Very high95.3Very high86 Ų8669.4 Ų69.433%0.32531%0.307SS..Hα-helixtrans-51.8-48.6-173.6-67.5179.9-173.5178.93.2113.4M1 V43 R44 R45 V51 V52M1-R48 HydrophobicContact CB-CG 4.27Å; M1-R48 HydrophobicContact CE-CB 4.3Å; M1-R48 HydrophobicContact CE-CG 4.25Å; V43-R48 HydrophobicContact CG1-CG 4.17Å; R44-R48 WeakPolarHBondContact O-CG 3.4Å; R44-R48 PolarHBondContact O-N 3.42Å; R45-R48 WeakPolarHBondContact O-CG 3.18Å; R45-R48 PolarHBondContact O-N 3.37Å; R48-V51 PolarHBondContact O-N 3.11Å; R48-V52 WeakPolarHBondContact O-CB 3.33Å; R48-V52 VanDerWaalsContact O-CG2 3.28Å; R48-V52 WeakPolarHBondContact O-CG2 3.41Å; R48-V52 PolarHBondContact O-N 3.46Å
49N95.3Very high95.3Very high143 Ų14376.5 Ų76.577%0.76534%0.338SS*.Hα-helixtrans-67-42.1-177.9-66.9-10.4000111.5F47 V52 Q53F47-N49 VanDerWaalsContact C-N 3.34Å; F47-N49 PolarHBondContact O-N 2.97Å; N49-V52 PolarHBondContact O-N 2.92Å; N49-Q53 WeakPolarHBondContact O-CB 3.46Å; N49-Q53 PolarHBondContact O-N 3.03Å
50K96.3Very high95.3Very high126 Ų12676.9 Ų76.955%0.54834%0.34SS..Hα-helixtrans-64.4-42.7178.3-65.6-174.3178.4-1770111.8L24 F47 Q53 Y54L24-K50 HydrophobicContact CD1-CB 4.31Å; L24-K50 HydrophobicContact CD2-CB 3.73Å; L24-K50 HydrophobicContact CD2-CD 3.77Å; L24-K50 HydrophobicContact CD2-CG 4.42Å; F47-K50 HydrophobicContact CD1-CD 4.37Å; F47-K50 PolarHBondContact O-N 3.14Å; F47-K50 VanDerWaalsContact O-N 3.1Å; K50-Q53 PolarHBondContact O-N 2.93Å; K50-Y54 WeakPolarHBondContact O-CB 3.49Å; K50-Y54 PolarHBondContact O-N 2.88Å
51V96.5Very high95.2Very high0 Ų079.2 Ų79.20%035%0.35CS..Hα-helixtrans-66.6-45.9176.9174.90000111L3 L19 L24 V26 V43 F47 R48 Q53 Y54 L55L3-V51 HydrophobicContact CD1-CG1 4.27Å; L19-V51 HydrophobicContact CD2-CG1 4.25Å; L24-V51 HydrophobicContact CB-CG2 4.07Å; L24-V51 HydrophobicContact CD1-CG2 3.95Å; V26-V51 HydrophobicContact CG2-CG1 4.48Å; V26-V51 HydrophobicContact CG2-CG2 3.62Å; V43-V51 HydrophobicContact CG1-CB 3.99Å; V43-V51 HydrophobicContact CG1-CG1 4.41Å; V43-V51 HydrophobicContact CG1-CG2 3.72Å; V43-V51 HydrophobicContact CG2-CB 4.4Å; V43-V51 HydrophobicContact CG2-CG1 3.9Å; V43-V51 HydrophobicContact CG2-CG2 4.41Å; F47-V51 HydrophobicContact CB-CG2 4.25Å; F47-V51 WeakPolarHBondContact O-CG2 3.27Å; F47-V51 PolarHBondContact O-N 2.96Å; R48-V51 PolarHBondContact O-N 3.11Å; V51-Q53 VanDerWaalsContact C-N 3.26Å; V51-Q53 PolarHBondContact O-N 2.86Å; V51-Y54 WeakPolarHBondContact O-CB 3.37Å; V51-Y54 PolarHBondContact O-N 2.97Å; V51-Y54 VanDerWaalsContact O-N 3.17Å; V51-L55 HydrophobicContact CG1-CD1 4.06Å; V51-L55 HydrophobicContact CG1-CG 4.25Å; V51-L55 VanDerWaalsContact O-CG 3.28Å; V51-L55 WeakPolarHBondContact O-CG 3.49Å; V51-L55 PolarHBondContact O-N 3.3Å
52V96.2Very high95.2Very high21 Ų2182.9 Ų82.913%0.12736%0.364CS..Hα-helixtrans-60.5-39176.8167.90000111.5M1 R48 N49 R56 W62M1-V52 HydrophobicContact CE-CG2 4Å; R48-V52 WeakPolarHBondContact O-CB 3.33Å; R48-V52 VanDerWaalsContact O-CG2 3.28Å; R48-V52 WeakPolarHBondContact O-CG2 3.41Å; R48-V52 PolarHBondContact O-N 3.46Å; N49-V52 PolarHBondContact O-N 2.92Å; V52-R56 WeakPolarHBondContact O-CG 3.31Å; V52-R56 PolarHBondContact O-N 3.43Å; V52-R56 VanDerWaalsContact O-N 3.11Å; V52-W62 HydrophobicContact CB-CZ2 4.45Å; V52-W62 HydrophobicContact CG1-CH2 4.41Å; V52-W62 HydrophobicContact CG1-CZ2 3.78Å; V52-W62 HydrophobicContact CG2-CH2 4.04Å; V52-W62 HydrophobicContact CG2-CZ2 3.99Å
53Q96.4Very high95.2Very high107 Ų10785.1 Ų85.150%0.538%0.379SS..Hα-helixtrans-62.6-49.6173.7179.2176-8.500111.3N49 K50 V51 L55 R56 E57N49-Q53 WeakPolarHBondContact O-CB 3.46Å; N49-Q53 PolarHBondContact O-N 3.03Å; K50-Q53 PolarHBondContact O-N 2.93Å; V51-Q53 VanDerWaalsContact C-N 3.26Å; V51-Q53 PolarHBondContact O-N 2.86Å; Q53-L55 VanDerWaalsContact C-N 3.32Å; Q53-L55 PolarHBondContact O-N 3.41Å; Q53-R56 WeakPolarHBondContact O-CB 3.09Å; Q53-R56 PolarHBondContact O-N 3.29Å; Q53-R56 VanDerWaalsContact O-N 3.1Å; Q53-E57 HydrophobicContact CG-CG 4.38Å; Q53-E57 VanDerWaalsContact CG-OE1 3.24Å; Q53-E57 WeakPolarHBondContact CG-OE1 3.48Å; Q53-E57 PolarHBondContact NE2-OE1 3.21Å; Q53-E57 WeakPolarHBondContact O-CG 3.41Å; Q53-E57 PolarHBondContact O-N 3.34Å
54Y96.6Very high95.3Very high40 Ų4091.4 Ų91.416%0.15741%0.407CS..Hα-helixtrans-55.5-45.5177.1-178.2-86.1000112.3N15 L19 K50 V51 R56 E57 H58N15-Y54 HydrophobicContact CB-CE1 4.45Å; N15-Y54 PolarHBondContact O-OH 2.99Å; L19-Y54 HydrophobicContact CB-CD1 4.46Å; L19-Y54 HydrophobicContact CB-CE1 3.96Å; L19-Y54 HydrophobicContact CD1-CD1 3.88Å; L19-Y54 HydrophobicContact CD1-CE1 4.17Å; L19-Y54 HydrophobicContact CD1-CG 4.14Å; L19-Y54 HydrophobicContact CD2-CD1 4.11Å; L19-Y54 HydrophobicContact CD2-CE1 4.31Å; L19-Y54 HydrophobicContact CG-CD1 4.38Å; L19-Y54 HydrophobicContact CG-CE1 4.38Å; K50-Y54 WeakPolarHBondContact O-CB 3.49Å; K50-Y54 PolarHBondContact O-N 2.88Å; V51-Y54 WeakPolarHBondContact O-CB 3.37Å; V51-Y54 PolarHBondContact O-N 2.97Å; V51-Y54 VanDerWaalsContact O-N 3.17Å; Y54-R56 VanDerWaalsContact C-N 3.33Å; Y54-R56 PolarHBondContact O-N 3.47Å; Y54-E57 PolarHBondContact O-N 2.75Å; Y54-H58 AromaticContact CD1-ND1 3.87Å; Y54-H58 AromaticContact CD2-CE1 3.68Å; Y54-H58 AromaticContact CD2-ND1 3.87Å; Y54-H58 AromaticContact CE1-ND1 3.73Å; Y54-H58 AromaticContact CE2-CE1 3.28Å; Y54-H58 WeakPolarHBondContact CE2-CE1 3.24Å; Y54-H58 AromaticContact CE2-ND1 3.74Å; Y54-H58 AromaticContact CG-ND1 3.93Å; Y54-H58 AromaticContact CZ-CE1 3.47Å; Y54-H58 VanDerWaalsContact CZ-CE1 3.47Å; Y54-H58 AromaticContact CZ-ND1 3.65Å; Y54-H58 AromaticContact CZ-NE2 3.97Å; Y54-H58 PolarHBondContact O-N 3.06Å; Y54-H58 VanDerWaalsContact O-N 3.11Å; Y54-H58 PolarHBondContact O-ND1 3.08Å
55L96.4Very high95.4Very high0 Ų087.5 Ų87.50%040%0.395CS..Hα-helixtrans-62.6-39.1178.3-65175.2000111.8L3 I5 L16 L19 V51 Q53 M59 L60 W62L3-L55 HydrophobicContact CD1-CD1 3.75Å; I5-L55 HydrophobicContact CD1-CD1 4.27Å; I5-L55 HydrophobicContact CD1-CD2 4Å; I5-L55 HydrophobicContact CG2-CD2 4.3Å; L16-L55 HydrophobicContact CD2-CD2 4.49Å; L19-L55 HydrophobicContact CD2-CD2 4.18Å; V51-L55 HydrophobicContact CG1-CD1 4.06Å; V51-L55 HydrophobicContact CG1-CG 4.25Å; V51-L55 VanDerWaalsContact O-CG 3.28Å; V51-L55 WeakPolarHBondContact O-CG 3.49Å; V51-L55 PolarHBondContact O-N 3.3Å; Q53-L55 VanDerWaalsContact C-N 3.32Å; Q53-L55 PolarHBondContact O-N 3.41Å; L55-M59 PolarHBondContact O-N 3.21Å; L55-L60 HydrophobicContact CB-CB 4.37Å; L55-L60 HydrophobicContact CD2-CB 3.99Å; L55-L60 HydrophobicContact CD2-CD1 3.58Å; L55-L60 HydrophobicContact CD2-CG 4.44Å; L55-L60 PolarHBondContact O-N 3.34Å; L55-W62 HydrophobicContact CD1-CB 4.06Å; L55-W62 HydrophobicContact CD1-CD2 4.19Å; L55-W62 HydrophobicContact CD1-CG 3.69Å
56R96.5Very high95.5Very high179 Ų17986 Ų8668%0.67540%0.402SS*.Hα-helixtrans-68.1-43.4176.4-73.6173.5180170.30.5112.4V52 Q53 Y54 H58 M59V52-R56 WeakPolarHBondContact O-CG 3.31Å; V52-R56 PolarHBondContact O-N 3.43Å; V52-R56 VanDerWaalsContact O-N 3.11Å; Q53-R56 WeakPolarHBondContact O-CB 3.09Å; Q53-R56 PolarHBondContact O-N 3.29Å; Q53-R56 VanDerWaalsContact O-N 3.1Å; Y54-R56 VanDerWaalsContact C-N 3.33Å; Y54-R56 PolarHBondContact O-N 3.47Å; R56-H58 VanDerWaalsContact C-N 3.25Å; R56-H58 PolarHBondContact O-N 3.34Å; R56-M59 PolarHBondContact O-N 2.82Å; R56-M59 VanDerWaalsContact O-N 3.11Å
57E96.3Very high95.4Very high120 Ų12084.8 Ų84.856%0.56140%0.395SS*.Hα-helixtrans-60.9-36178.7-73.6170-179.500111.9Q53 Y54Q53-E57 HydrophobicContact CG-CG 4.38Å; Q53-E57 VanDerWaalsContact CG-OE1 3.24Å; Q53-E57 WeakPolarHBondContact CG-OE1 3.48Å; Q53-E57 PolarHBondContact NE2-OE1 3.21Å; Q53-E57 WeakPolarHBondContact O-CG 3.41Å; Q53-E57 PolarHBondContact O-N 3.34Å; Y54-E57 PolarHBondContact O-N 2.75Å
58H95.2Very high95.1Very high59 Ų5987.1 Ų87.127%0.27341%0.409SS..THydrogen-bonded Turntrans-92.68.5177.7-63.682.5000113.7N15 Y54 R56 L60N15-H58 VanDerWaalsContact CG-CD2 3.41Å; N15-H58 PolarHBondContact ND2-CD2 2.75Å; N15-H58 PolarHBondContact OD1-CD2 3.42Å; Y54-H58 AromaticContact CD1-ND1 3.87Å; Y54-H58 AromaticContact CD2-CE1 3.68Å; Y54-H58 AromaticContact CD2-ND1 3.87Å; Y54-H58 AromaticContact CE1-ND1 3.73Å; Y54-H58 AromaticContact CE2-CE1 3.28Å; Y54-H58 WeakPolarHBondContact CE2-CE1 3.24Å; Y54-H58 AromaticContact CE2-ND1 3.74Å; Y54-H58 AromaticContact CG-ND1 3.93Å; Y54-H58 AromaticContact CZ-CE1 3.47Å; Y54-H58 VanDerWaalsContact CZ-CE1 3.47Å; Y54-H58 AromaticContact CZ-ND1 3.65Å; Y54-H58 AromaticContact CZ-NE2 3.97Å; Y54-H58 PolarHBondContact O-N 3.06Å; Y54-H58 VanDerWaalsContact O-N 3.11Å; Y54-H58 PolarHBondContact O-ND1 3.08Å; R56-H58 VanDerWaalsContact C-N 3.25Å; R56-H58 PolarHBondContact O-N 3.34Å; H58-L60 HydrophobicContact CB-CD1 4.06Å; H58-L60 HydrophobicContact CB-CG 4.05Å; H58-L60 PolarHBondContact O-N 3.24Å; H58-L60 VanDerWaalsContact O-N 3.13Å
59M95.4Very high94.9Very high169 Ų16983.7 Ų83.783%0.83340%0.398SS*.THydrogen-bonded Turntrans52.332.2-179.2-57.6-179.6-71.100114L55 R56L55-M59 PolarHBondContact O-N 3.21Å; R56-M59 PolarHBondContact O-N 2.82Å; R56-M59 VanDerWaalsContact O-N 3.11Å
60L95.3Very high94.6Very high9 Ų978.1 Ų78.15%0.04737%0.374CS..  trans-77.7127.5178.7-70168.5000109.9I5 D12 N15 L16 L55 H58I5-L60 HydrophobicContact CG2-CB 4.25Å; D12-L60 HydrophobicContact CB-CD2 3.49Å; D12-L60 VanDerWaalsContact CB-CD2 3.49Å; N15-L60 HydrophobicContact CB-CD1 4.25Å; L16-L60 HydrophobicContact CD2-CD1 3.86Å; L55-L60 HydrophobicContact CB-CB 4.37Å; L55-L60 HydrophobicContact CD2-CB 3.99Å; L55-L60 HydrophobicContact CD2-CD1 3.58Å; L55-L60 HydrophobicContact CD2-CG 4.44Å; L55-L60 PolarHBondContact O-N 3.34Å; H58-L60 HydrophobicContact CB-CD1 4.06Å; H58-L60 HydrophobicContact CB-CG 4.05Å; H58-L60 PolarHBondContact O-N 3.24Å; H58-L60 VanDerWaalsContact O-N 3.13Å
61E94Very high94.3Very high93 Ų9377.6 Ų77.644%0.43537%0.372SS..EExtended strand (participates in β ladder)trans-75.2127.3172.9-70.4-176.2172.100110.5I5 V6 R8I5-E61 WeakPolarHBondContact CA-O 3.49Å; I5-E61 WeakPolarHBondContact CG2-O 3.46Å; V6-E61 PolarHBondContact N-O 2.86Å; R8-E61 IonicContact CZ-OE1 3.15Å; R8-E61 IonicContact CZ-OE2 3.14Å; R8-E61 IonicContact NE-OE1 2.73Å; R8-E61 PolarHBondContact NE-OE1 3.25Å; R8-E61 IonicContact NE-OE2 2.9Å; R8-E61 PolarHBondContact NE-OE2 2.92Å; R8-E61 IonicContact NH1-OE1 3.73Å; R8-E61 IonicContact NH2-OE1 3.81Å; R8-E61 PolarHBondContact NH2-OE1 2.85Å; R8-E61 IonicContact NH2-OE2 2.72Å; R8-E61 PolarHBondContact NH2-OE2 3.28Å
62W96.1Very high94.1Very high78 Ų7881.2 Ų81.230%0.29539%0.388SS..EExtended strand (participates in β ladder)trans-143.1148.9179.764.1-89000112.1L3 E4 I5 V52 L55 K64L3-W62 HydrophobicContact CD2-CE3 3.64Å; L3-W62 HydrophobicContact CD2-CZ3 3.87Å; E4-W62 CarbonylContact O-C 3.56Å; E4-W62 WeakPolarHBondContact O-CA 3.42Å; I5-W62 HydrophobicContact CB-CB 4.49Å; I5-W62 HydrophobicContact CG1-CB 4Å; I5-W62 HydrophobicContact CG2-CB 4.4Å; V52-W62 HydrophobicContact CB-CZ2 4.45Å; V52-W62 HydrophobicContact CG1-CH2 4.41Å; V52-W62 HydrophobicContact CG1-CZ2 3.78Å; V52-W62 HydrophobicContact CG2-CH2 4.04Å; V52-W62 HydrophobicContact CG2-CZ2 3.99Å; L55-W62 HydrophobicContact CD1-CB 4.06Å; L55-W62 HydrophobicContact CD1-CD2 4.19Å; L55-W62 HydrophobicContact CD1-CG 3.69Å; W62-K64 HydrophobicContact CZ3-CB 4.23Å
63T96.9Very high93.7Very high85 Ų8583.1 Ų83.152%0.52140%0.398SS..EExtended strand (participates in β ladder)trans-124.1135.8173.2-61.30000109L3 E4 L65L3-T63 WeakPolarHBondContact CA-O 3.35Å; E4-T63 PolarHBondContact N-O 3.01Å; E4-T63 PolarHBondContact O-N 3.4Å; T63-L65 PolarHBondContact O-N 3.29Å
64K95.8Very high93.4Very high133 Ų13385.1 Ų85.158%0.57840%0.401SS*.EExtended strand (participates in β ladder)trans-75.6119169.3-179.6-174.3170.9-159.40108.5M1 L3 W62M1-K64 HydrophobicContact CG-CD 4.26Å; M1-K64 HydrophobicContact CG-CG 4.02Å; M1-K64 HydrophobicContact SD-CD 4.16Å; M1-K64 HydrophobicContact SD-CG 4.29Å; L3-K64 HydrophobicContact CD2-CB 4.2Å; W62-K64 HydrophobicContact CZ3-CB 4.23Å
65L95.3Very high93.2Very high45 Ų4587.6 Ų87.624%0.23642%0.417CS..  trans-71.8139.8173.5-64.8178.3000110L2 E4 I40 T63 F67L2-L65 HydrophobicContact CB-CB 4.27Å; L2-L65 HydrophobicContact CD2-CB 4.22Å; L2-L65 HydrophobicContact CD2-CD1 3.72Å; L2-L65 HydrophobicContact CG-CB 4.4Å; L2-L65 HydrophobicContact CG-CD1 3.96Å; L2-L65 PolarHBondContact O-N 3.12Å; E4-L65 HydrophobicContact CB-CD1 4.25Å; E4-L65 HydrophobicContact CB-CD2 3.98Å; E4-L65 HydrophobicContact CB-CG 4.05Å; I40-L65 HydrophobicContact CG2-CD1 4.33Å; T63-L65 PolarHBondContact O-N 3.29Å; L65-F67 PolarHBondContact O-N 3.47Å
66D92.5Very high92.8Very high170 Ų17091.4 Ų91.491%0.90944%0.439SS*.SBendtrans-78.562.1178.1-167.425000111.3
67F91.3Very high92.4Very high84 Ų8484.5 Ų84.537%0.36842%0.415SS..  trans-146111.7176.6-170.8-107.5000110.1L2 L65 V69 H72L2-F67 HydrophobicContact CD2-CB 4.42Å; L2-F67 HydrophobicContact CD2-CD1 4.27Å; L65-F67 PolarHBondContact O-N 3.47Å; F67-V69 HydrophobicContact CD1-CB 4.46Å; F67-V69 HydrophobicContact CD1-CG2 3.62Å; F67-V69 HydrophobicContact CE1-CB 4.31Å; F67-V69 HydrophobicContact CE1-CG2 3.76Å; F67-V69 PolarHBondContact O-N 2.89Å; F67-H72 HydrophobicContact CE1-CB 4.36Å; F67-H72 HydrophobicContact CE2-CB 4.1Å; F67-H72 HydrophobicContact CZ-CB 3.66Å; F67-H72 AromaticContact CZ-CD2 3.95Å; F67-H72 AromaticContact CZ-CG 3.57Å; F67-H72 AromaticContact CZ-ND1 3.99Å
68D89.1Confident91.8Very high82 Ų8281.1 Ų81.144%0.43940%0.399SS..  trans-88.391.8171.9-169.3-27.5000109.6G70 K71 H72D68-G70 PolarHBondContact O-N 3.38Å; D68-G70 WeakPolarHBondContact OD1-CA 3.45Å; D68-G70 PolarHBondContact OD1-N 3.07Å; D68-K71 HydrophobicContact CB-CB 3.75Å; D68-K71 WeakPolarHBondContact O-CB 3.4Å; D68-K71 PolarHBondContact O-N 3.13Å; D68-K71 VanDerWaalsContact O-N 3.08Å; D68-K71 PolarHBondContact OD1-N 2.98Å; D68-H72 PolarHBondContact O-N 3.07Å
69V90.3Very high91.5Very high15 Ų1581.3 Ų81.39%0.09141%0.405CS..Hα-helixtrans-50-42.9176.4-178.70000111.4L2 W29 L42 F67 H72 L73L2-V69 HydrophobicContact CB-CG2 4.46Å; L2-V69 HydrophobicContact CD1-CG2 4.37Å; W29-V69 HydrophobicContact CH2-CG1 3.92Å; W29-V69 HydrophobicContact CH2-CG2 3.79Å; W29-V69 HydrophobicContact CZ2-CG1 3.98Å; W29-V69 HydrophobicContact CZ2-CG2 4.2Å; W29-V69 HydrophobicContact CZ3-CG2 4.48Å; L42-V69 HydrophobicContact CD1-CB 4.14Å; L42-V69 HydrophobicContact CD1-CG2 3.89Å; L42-V69 HydrophobicContact CD2-CG1 4.42Å; F67-V69 HydrophobicContact CD1-CB 4.46Å; F67-V69 HydrophobicContact CD1-CG2 3.62Å; F67-V69 HydrophobicContact CE1-CB 4.31Å; F67-V69 HydrophobicContact CE1-CG2 3.76Å; F67-V69 PolarHBondContact O-N 2.89Å; V69-H72 PolarHBondContact O-N 2.94Å; V69-L73 HydrophobicContact CG1-CD1 4Å; V69-L73 HydrophobicContact CG1-CG 4.33Å; V69-L73 WeakPolarHBondContact O-CB 3.48Å; V69-L73 VanDerWaalsContact O-CG 3.29Å; V69-L73 WeakPolarHBondContact O-CG 3.13Å; V69-L73 PolarHBondContact O-N 2.9Å
70G88.1Confident91Very high25 Ų2576.7 Ų76.726%0.25838%0.378SS..Hα-helixtrans-68.5-38.1-17800000112.3D68 R74D68-G70 PolarHBondContact O-N 3.38Å; D68-G70 WeakPolarHBondContact OD1-CA 3.45Å; D68-G70 PolarHBondContact OD1-N 3.07Å; G70-R74 WeakPolarHBondContact O-CG 3.31Å; G70-R74 VanDerWaalsContact O-CZ 3.31Å; G70-R74 PolarHBondContact O-N 2.9Å; G70-R74 PolarHBondContact O-NH1 2.95Å; G70-R74 VanDerWaalsContact O-NH1 3.17Å
71K90.6Very high90.4Very high116 Ų11677.1 Ų77.150%0.50438%0.38SS..Hα-helixtrans-65.4-47172.5-171.6-176.5177.3-175.80111.2D68 L73 R74 D75D68-K71 HydrophobicContact CB-CB 3.75Å; D68-K71 WeakPolarHBondContact O-CB 3.4Å; D68-K71 PolarHBondContact O-N 3.13Å; D68-K71 VanDerWaalsContact O-N 3.08Å; D68-K71 PolarHBondContact OD1-N 2.98Å; K71-L73 VanDerWaalsContact C-N 3.34Å; K71-L73 PolarHBondContact O-N 3.19Å; K71-R74 PolarHBondContact O-N 3.17Å; K71-D75 VanDerWaalsContact CE-OD2 3.24Å; K71-D75 WeakPolarHBondContact CE-OD2 3.49Å; K71-D75 WeakPolarHBondContact CG-OD2 3.08Å; K71-D75 VanDerWaalsContact O-CB 3.31Å; K71-D75 WeakPolarHBondContact O-CB 3.44Å; K71-D75 PolarHBondContact O-N 3.39Å
72H91.4Very high89.8Confident75 Ų7578.7 Ų78.735%0.34739%0.388SS..Hα-helixtrans-59.6-44179-176.881.6000112F67 D68 V69 V76 H77F67-H72 HydrophobicContact CE1-CB 4.36Å; F67-H72 HydrophobicContact CE2-CB 4.1Å; F67-H72 HydrophobicContact CZ-CB 3.66Å; F67-H72 AromaticContact CZ-CD2 3.95Å; F67-H72 AromaticContact CZ-CG 3.57Å; F67-H72 AromaticContact CZ-ND1 3.99Å; D68-H72 PolarHBondContact O-N 3.07Å; V69-H72 PolarHBondContact O-N 2.94Å; H72-V76 WeakPolarHBondContact O-CA 3.29Å; H72-V76 VanDerWaalsContact O-CB 3.31Å; H72-V76 WeakPolarHBondContact O-CB 3.46Å; H72-V76 PolarHBondContact O-N 3.15Å; H72-H77 PolarHBondContact O-N 3.1Å; H72-H77 VanDerWaalsContact O-N 3.07Å
73L89Confident89.1Confident62 Ų6282.9 Ų82.933%0.32541%0.408SS..Iπ-helixtrans-60.4-48.8176.8-72.6174.3000111.8V69 K71 H77 F78V69-L73 HydrophobicContact CG1-CD1 4Å; V69-L73 HydrophobicContact CG1-CG 4.33Å; V69-L73 WeakPolarHBondContact O-CB 3.48Å; V69-L73 VanDerWaalsContact O-CG 3.29Å; V69-L73 WeakPolarHBondContact O-CG 3.13Å; V69-L73 PolarHBondContact O-N 2.9Å; K71-L73 VanDerWaalsContact C-N 3.34Å; K71-L73 PolarHBondContact O-N 3.19Å; L73-H77 HydrophobicContact CD2-CB 4.04Å; L73-H77 PolarHBondContact O-N 3.24Å; L73-F78 HydrophobicContact CB-CD2 4.26Å; L73-F78 HydrophobicContact CB-CE2 3.81Å; L73-F78 HydrophobicContact CB-CZ 4.46Å; L73-F78 WeakPolarHBondContact O-CD2 3.47Å; L73-F78 WeakPolarHBondContact O-CG 3.19Å; L73-F78 PolarHBondContact O-N 2.72Å
74R89Confident88.2Confident149 Ų14979.5 Ų79.556%0.56239%0.387SS*.Iπ-helixtrans-67.9-42.9-179-73.5-169.1-54.3-84.9-4114.2G70 K71 P79G70-R74 WeakPolarHBondContact O-CG 3.31Å; G70-R74 VanDerWaalsContact O-CZ 3.31Å; G70-R74 PolarHBondContact O-N 2.9Å; G70-R74 PolarHBondContact O-NH1 2.95Å; G70-R74 VanDerWaalsContact O-NH1 3.17Å; K71-R74 PolarHBondContact O-N 3.17Å; R74-P79 WeakPolarHBondContact O-CD 3.38Å; R74-P79 WeakPolarHBondContact O-CG 3.19Å
75D91.7Very high87.2Confident92 Ų9279.2 Ų79.249%0.49239%0.386SS..Iπ-helixtrans-95.6-23.3-166.4-59.7-2.6000112K71K71-D75 VanDerWaalsContact CE-OD2 3.24Å; K71-D75 WeakPolarHBondContact CE-OD2 3.49Å; K71-D75 WeakPolarHBondContact CG-OD2 3.08Å; K71-D75 VanDerWaalsContact O-CB 3.31Å; K71-D75 WeakPolarHBondContact O-CB 3.44Å; K71-D75 PolarHBondContact O-N 3.39Å
76V89.6Confident85.8Confident79 Ų7985.7 Ų85.748%0.47941%0.412SS..Iπ-helixtrans-118.4-59.3-175.5-1750000110.9H72 W80H72-V76 WeakPolarHBondContact O-CA 3.29Å; H72-V76 VanDerWaalsContact O-CB 3.31Å; H72-V76 WeakPolarHBondContact O-CB 3.46Å; H72-V76 PolarHBondContact O-N 3.15Å; V76-W80 WeakPolarHBondContact O-CB 3.41Å; V76-W80 PolarHBondContact O-N 3.42Å; V76-W80 VanDerWaalsContact O-N 3.13Å
77H86.7Confident84.6Confident35 Ų3582.5 Ų82.516%0.16239%0.39CS..Iπ-helixtrans-69.7-54.5-166.7-169.780.6000113.6H72 L73 W80 L81 W179H72-H77 PolarHBondContact O-N 3.1Å; H72-H77 VanDerWaalsContact O-N 3.07Å; L73-H77 HydrophobicContact CD2-CB 4.04Å; L73-H77 PolarHBondContact O-N 3.24Å; H77-W80 PolarHBondContact O-N 3.36Å; H77-L81 PolarHBondContact O-N 3.23Å; H77-W179 AromaticContact CE1-CE3 3.69Å; H77-W179 AromaticContact CE1-CH2 3.69Å; H77-W179 AromaticContact CE1-CZ3 3.18Å; H77-W179 WeakPolarHBondContact CE1-CZ3 3.28Å; H77-W179 AromaticContact NE2-CH2 3.14Å; H77-W179 WeakPolarHBondContact NE2-CH2 2.8Å; H77-W179 AromaticContact NE2-CZ3 3.15Å; H77-W179 WeakPolarHBondContact NE2-CZ3 3.15Å
78F85.4Confident83.4Confident49 Ų4978.7 Ų78.722%0.21537%0.373CS..Hα-helixtrans-66.7-41.7-179.2-63.3-53.5000113.3L73 W80 L81 E82 V230L73-F78 HydrophobicContact CB-CD2 4.26Å; L73-F78 HydrophobicContact CB-CE2 3.81Å; L73-F78 HydrophobicContact CB-CZ 4.46Å; L73-F78 WeakPolarHBondContact O-CD2 3.47Å; L73-F78 WeakPolarHBondContact O-CG 3.19Å; L73-F78 PolarHBondContact O-N 2.72Å; F78-W80 VanDerWaalsContact C-N 3.28Å; F78-W80 PolarHBondContact O-N 2.96Å; F78-L81 HydrophobicContact CD1-CD1 4.07Å; F78-L81 PolarHBondContact O-N 2.73Å; F78-E82 PolarHBondContact O-N 2.97Å; F78-V230 HydrophobicContact CD2-CG1 4.41Å; F78-V230 HydrophobicContact CE1-CG2 4.37Å; F78-V230 HydrophobicContact CE2-CG1 3.69Å; F78-V230 HydrophobicContact CZ-CB 4.42Å; F78-V230 HydrophobicContact CZ-CG1 3.79Å; F78-V230 HydrophobicContact CZ-CG2 4.34Å
79P87.8Confident82Confident63 Ų6379.9 Ų79.941%0.40938%0.378SS..Hα-helixtrans-60.1-37.6173.2-27.237.3000113R74 K83R74-P79 WeakPolarHBondContact O-CD 3.38Å; R74-P79 WeakPolarHBondContact O-CG 3.19Å; P79-K83 VanDerWaalsContact O-CB 3.28Å; P79-K83 WeakPolarHBondContact O-CB 3.14Å; P79-K83 PolarHBondContact O-N 3.3Å
80W85.3Confident80.5Confident71 Ų7186.5 Ų86.527%0.26941%0.406SS..Hα-helixtrans-64.3-44.7175.3173.695.5000111.7V76 H77 F78 E82 K83 N84 E103 Y104V76-W80 WeakPolarHBondContact O-CB 3.41Å; V76-W80 PolarHBondContact O-N 3.42Å; V76-W80 VanDerWaalsContact O-N 3.13Å; H77-W80 PolarHBondContact O-N 3.36Å; F78-W80 VanDerWaalsContact C-N 3.28Å; F78-W80 PolarHBondContact O-N 2.96Å; W80-E82 PolarHBondContact O-N 3.03Å; W80-K83 PolarHBondContact O-N 3.07Å; W80-N84 PolarHBondContact NE1-ND2 3.02Å; W80-N84 WeakPolarHBondContact O-CB 3.18Å; W80-N84 PolarHBondContact O-N 3.44Å; W80-E103 WeakPolarHBondContact CH2-OE2 3.27Å; W80-E103 HydrophobicContact CZ2-CB 4.41Å; W80-E103 HydrophobicContact CZ2-CG 4.43Å; W80-E103 WeakPolarHBondContact CZ2-OE2 3.23Å; W80-Y104 AromaticContact CH2-CD2 3.55Å; W80-Y104 HydrophobicContact CH2-CD2 3.55Å; W80-Y104 HydrophobicContact CH2-CG 4.03Å; W80-Y104 HydrophobicContact CZ2-CD2 4.23Å; W80-Y104 AromaticContact CZ3-CD2 3.77Å; W80-Y104 HydrophobicContact CZ3-CD2 3.77Å; W80-Y104 HydrophobicContact CZ3-CG 4.39Å
81L82.6Confident79.1Confident18 Ų1886.7 Ų86.79%0.09440%0.401CS..Hα-helixtrans-58.5-48.3175.9-79.1167.7000111.9H77 F78 N84 K85 W179H77-L81 PolarHBondContact O-N 3.23Å; F78-L81 HydrophobicContact CD1-CD1 4.07Å; F78-L81 PolarHBondContact O-N 2.73Å; L81-N84 PolarHBondContact O-N 3.05Å; L81-K85 PolarHBondContact O-N 3.09Å; L81-K85 VanDerWaalsContact O-N 3.08Å; L81-W179 HydrophobicContact CD1-CH2 3.87Å; L81-W179 HydrophobicContact CD1-CZ3 4.24Å; L81-W179 HydrophobicContact CD2-CH2 4.15Å; L81-W179 HydrophobicContact CD2-CZ3 3.96Å; L81-W179 HydrophobicContact CG-CZ3 4.46Å
82E81.4Confident77.5Confident126 Ų12682.7 Ų82.759%0.58939%0.39SS*.Hα-helixtrans-65.3-43.7-179.4-77.9-60.6134.800112.3F78 W80 N84 K85F78-E82 PolarHBondContact O-N 2.97Å; W80-E82 PolarHBondContact O-N 3.03Å; E82-N84 VanDerWaalsContact C-N 3.29Å; E82-N84 PolarHBondContact O-N 2.66Å; E82-K85 WeakPolarHBondContact O-CB 3.39Å; E82-K85 PolarHBondContact O-N 3.05Å
83K81.4Confident76.2Confident166 Ų16688.9 Ų88.972%0.72241%0.41SS*.Hα-helixtrans-59.1-42.7177-176.2-178.1177.2-174.30111.4P79 W80P79-K83 VanDerWaalsContact O-CB 3.28Å; P79-K83 WeakPolarHBondContact O-CB 3.14Å; P79-K83 PolarHBondContact O-N 3.3Å; W80-K83 PolarHBondContact O-N 3.07Å
84N78.6Confident75.2Confident15 Ų1587.2 Ų87.28%0.0840%0.404CS..Hα-helixtrans-82.7-14.3-174.7-71.7-22.8000113.8W80 L81 E82 K86 K87 K88 E103W80-N84 PolarHBondContact NE1-ND2 3.02Å; W80-N84 WeakPolarHBondContact O-CB 3.18Å; W80-N84 PolarHBondContact O-N 3.44Å; L81-N84 PolarHBondContact O-N 3.05Å; E82-N84 VanDerWaalsContact C-N 3.29Å; E82-N84 PolarHBondContact O-N 2.66Å; N84-K86 VanDerWaalsContact C-N 3.3Å; N84-K86 PolarHBondContact O-N 2.92Å; N84-K87 PolarHBondContact O-N 2.88Å; N84-K88 HydrophobicContact CB-CD 4.47Å; N84-K88 WeakPolarHBondContact O-CB 3.44Å; N84-K88 VanDerWaalsContact O-CG 3.24Å; N84-K88 WeakPolarHBondContact O-CG 3.22Å; N84-K88 PolarHBondContact O-N 3.39Å; N84-E103 WeakPolarHBondContact CB-OE2 3.4Å; N84-E103 PolarHBondContact ND2-OE1 3.34Å; N84-E103 PolarHBondContact ND2-OE2 2.86Å
85K74.9Confident75Confident127 Ų12780.7 Ų80.755%0.55238%0.383SS*.Hα-helixtrans-55.9-40.9176.5-167.2175.1-175.5174.10113.2L81 E82L81-K85 PolarHBondContact O-N 3.09Å; L81-K85 VanDerWaalsContact O-N 3.08Å; E82-K85 WeakPolarHBondContact O-CB 3.39Å; E82-K85 PolarHBondContact O-N 3.05Å
86K64.1Low75Confident181 Ų18176.5 Ų76.579%0.78736%0.36SS*.Hα-helixtrans-74.1-38.8179.2-70.4-175.8179.6178.60112.8N84N84-K86 VanDerWaalsContact C-N 3.3Å; N84-K86 PolarHBondContact O-N 2.92Å
87K68.2Low75.1Confident102 Ų10276.7 Ų76.744%0.44336%0.358SS..Hα-helixtrans-63.6-43.4178.7-171.7-171.7171.6-162.80110.8N84 I89 F90 D91N84-K87 PolarHBondContact O-N 2.88Å; K87-I89 VanDerWaalsContact C-N 3.33Å; K87-I89 PolarHBondContact O-N 2.67Å; K87-F90 WeakPolarHBondContact O-CB 3.43Å; K87-F90 PolarHBondContact O-N 2.81Å; K87-D91 WeakPolarHBondContact CE-OD2 3.28Å; K87-D91 WeakPolarHBondContact CG-OD2 3.44Å; K87-D91 PolarHBondContact O-N 3.37Å
88K65.2Low75.2Confident4 Ų480.7 Ų80.72%0.01738%0.377CS..Hα-helixtrans-63.6-31.6-176.8-72.6171.6175.61630114.7N84 F90 D91 A92 P100 E103 Y104 E109N84-K88 HydrophobicContact CB-CD 4.47Å; N84-K88 WeakPolarHBondContact O-CB 3.44Å; N84-K88 VanDerWaalsContact O-CG 3.24Å; N84-K88 WeakPolarHBondContact O-CG 3.22Å; N84-K88 PolarHBondContact O-N 3.39Å; K88-F90 PolarHBondContact O-N 3.43Å; K88-D91 PolarHBondContact O-N 3.35Å; K88-A92 WeakPolarHBondContact O-CB 3.46Å; K88-A92 PolarHBondContact O-N 3.47Å; K88-P100 HydrophobicContact CG-CG 4.35Å; K88-E103 VanDerWaalsContact CE-OE2 3.28Å; K88-E103 WeakPolarHBondContact CE-OE2 3.46Å; K88-E103 IonicContact NZ-OE2 2.68Å; K88-E103 PolarHBondContact NZ-OE2 3.38Å; K88-Y104 PolarHBondContact NZ-O 3.06Å; K88-E109 WeakPolarHBondContact CB-OE1 3.49Å; K88-E109 WeakPolarHBondContact CD-OE1 3.21Å
89I60.8Low75.5Confident107 Ų10778.9 Ų78.955%0.54937%0.369SS..Hα-helixtrans-63.2-34.9175.2-64.9170.2000111.3K87K87-I89 VanDerWaalsContact C-N 3.33Å; K87-I89 PolarHBondContact O-N 2.67Å
90F58Low75.5Confident154 Ų15476.3 Ų76.368%0.67535%0.352SS*.Hα-helixtrans-76.5-50.4176.5-172.9-96.3000110.5K87 K88 A92 R93 S94K87-F90 WeakPolarHBondContact O-CB 3.43Å; K87-F90 PolarHBondContact O-N 2.81Å; K88-F90 PolarHBondContact O-N 3.43Å; F90-A92 PolarHBondContact O-N 3.08Å; F90-R93 WeakPolarHBondContact O-CB 3.42Å; F90-R93 PolarHBondContact O-N 2.75Å; F90-R93 VanDerWaalsContact O-N 3.1Å; F90-S94 PolarHBondContact O-OG 2.84Å; F90-S94 VanDerWaalsContact O-OG 3.12Å
91D60Low75.9Confident29 Ų2974.7 Ų74.716%0.15535%0.346CS..Hα-helixtrans-66.8-32.7-174.6-63.5-11.6000113.3K87 K88 R93 S94 P100K87-D91 WeakPolarHBondContact CE-OD2 3.28Å; K87-D91 WeakPolarHBondContact CG-OD2 3.44Å; K87-D91 PolarHBondContact O-N 3.37Å; K88-D91 PolarHBondContact O-N 3.35Å; D91-R93 PolarHBondContact O-N 2.93Å; D91-S94 WeakPolarHBondContact O-CB 3.21Å; D91-S94 PolarHBondContact O-N 2.87Å; D91-S94 PolarHBondContact O-OG 3.03Å; D91-P100 HydrophobicContact CB-CG 4.34Å
92A57.3Low76.2Confident32 Ų3280.1 Ų80.126%0.26438%0.376SS..THydrogen-bonded Turntrans-64.3-8.3175.500000113.7K88 F90K88-A92 WeakPolarHBondContact O-CB 3.46Å; K88-A92 PolarHBondContact O-N 3.47Å; F90-A92 PolarHBondContact O-N 3.08Å
93R62.2Low76.5Confident206 Ų20675 Ų7578%0.77735%0.352SS*.THydrogen-bonded Turntrans-98.2-4174.7-62.5-179.3175.9-175.1-1.8113.2F90 D91F90-R93 WeakPolarHBondContact O-CB 3.42Å; F90-R93 PolarHBondContact O-N 2.75Å; F90-R93 VanDerWaalsContact O-N 3.1Å; D91-R93 PolarHBondContact O-N 2.93Å
94S69.4Low76.9Confident27 Ų2770.5 Ų70.519%0.18933%0.331CS..SBendtrans-99.312.8-158.2-50.30000116F90 D91 Q98F90-S94 PolarHBondContact O-OG 2.84Å; F90-S94 VanDerWaalsContact O-OG 3.12Å; D91-S94 WeakPolarHBondContact O-CB 3.21Å; D91-S94 PolarHBondContact O-N 2.87Å; D91-S94 PolarHBondContact O-OG 3.03Å; S94-Q98 VanDerWaalsContact CB-OE1 3.28Å; S94-Q98 WeakPolarHBondContact O-CB 3.38Å; S94-Q98 WeakPolarHBondContact O-CG 3.38Å; S94-Q98 PolarHBondContact O-NE2 3.3Å; S94-Q98 PolarHBondContact O-OE1 3.44Å
95G84.5Confident77.5Confident11 Ų1169.9 Ų69.911%0.11333%0.327CS..  trans104.4153.5-171.400000110.9D97 Q98 F99G95-D97 PolarHBondContact O-N 3.02Å; G95-Q98 PolarHBondContact O-N 3.06Å; G95-F99 PolarHBondContact O-N 2.87Å
96W92.1Very high78.3Confident4 Ų464.7 Ų64.72%0.01531%0.307CS..SBendtrans-63.5-31.9170.665.8-82.4000111.2Q98 F99 Y101 L113 V117 E120 F121 L193 T194 K197W96-Q98 VanDerWaalsContact C-N 3.28Å; W96-Q98 PolarHBondContact O-N 3.38Å; W96-F99 VanDerWaalsContact O-CB 3.26Å; W96-F99 WeakPolarHBondContact O-CB 3.27Å; W96-F99 PolarHBondContact O-N 2.82Å; W96-Y101 WeakPolarHBondContact O-CE2 3.46Å; W96-Y101 PolarHBondContact O-OH 3.37Å; W96-L113 HydrophobicContact CB-CD1 3.85Å; W96-V117 HydrophobicContact CB-CG2 3.87Å; W96-V117 HydrophobicContact CG-CG2 4.47Å; W96-E120 PolarHBondContact NE1-OE2 2.79Å; W96-F121 AromaticContact CD1-CE2 3.79Å; W96-F121 AromaticContact CD2-CE2 3.83Å; W96-F121 HydrophobicContact CD2-CE2 3.83Å; W96-F121 HydrophobicContact CD2-CZ 4.38Å; W96-F121 AromaticContact CE2-CE2 3.35Å; W96-F121 AromaticContact CE2-CZ 3.53Å; W96-F121 HydrophobicContact CG-CE2 4.13Å; W96-F121 HydrophobicContact CH2-CE2 4.48Å; W96-F121 HydrophobicContact CH2-CZ 4.17Å; W96-F121 AromaticContact CZ2-CE2 3.75Å; W96-F121 HydrophobicContact CZ2-CE2 3.75Å; W96-F121 AromaticContact CZ2-CZ 3.43Å; W96-F121 HydrophobicContact CZ2-CZ 3.43Å; W96-F121 VanDerWaalsContact CZ2-CZ 3.43Å; W96-F121 AromaticContact NE1-CE2 3.31Å; W96-F121 VanDerWaalsContact NE1-CE2 3.31Å; W96-F121 AromaticContact NE1-CZ 3.68Å; W96-L193 HydrophobicContact CD2-CD1 4.4Å; W96-L193 HydrophobicContact CE3-CB 3.98Å; W96-L193 HydrophobicContact CE3-CD1 4.06Å; W96-L193 HydrophobicContact CH2-CB 3.97Å; W96-L193 HydrophobicContact CZ3-CB 3.6Å; W96-T194 WeakPolarHBondContact CZ3-OG1 3.44Å; W96-K197 HydrophobicContact CH2-CD 4.37Å; W96-K197 HydrophobicContact CZ2-CD 3.82Å
97D90.8Very high79.8Confident83 Ų8358 Ų5844%0.44428%0.277SS..THydrogen-bonded Turntrans-71-21.8-178.360-23.3000113.4G95G95-D97 PolarHBondContact O-N 3.02Å
98Q88.9Confident80.9Confident120 Ų12056.6 Ų56.656%0.56128%0.281SS*.THydrogen-bonded Turntrans-102.46.5175.4-58-174.927.200113.1S94 G95 W96S94-Q98 VanDerWaalsContact CB-OE1 3.28Å; S94-Q98 WeakPolarHBondContact O-CB 3.38Å; S94-Q98 WeakPolarHBondContact O-CG 3.38Å; S94-Q98 PolarHBondContact O-NE2 3.3Å; S94-Q98 PolarHBondContact O-OE1 3.44Å; G95-Q98 PolarHBondContact O-N 3.06Å; W96-Q98 VanDerWaalsContact C-N 3.28Å; W96-Q98 PolarHBondContact O-N 3.38Å
99F90.8Very high82.2Confident10 Ų1057.9 Ų57.94%0.04429%0.287CS..SBendtrans-60.4140.9176.8-175.8-91.7000110.4G95 W96 Y101 N105 L113 V186G95-F99 PolarHBondContact O-N 2.87Å; W96-F99 VanDerWaalsContact O-CB 3.26Å; W96-F99 WeakPolarHBondContact O-CB 3.27Å; W96-F99 PolarHBondContact O-N 2.82Å; F99-Y101 VanDerWaalsContact C-N 3.26Å; F99-Y101 HydrophobicContact CB-CD2 4.23Å; F99-Y101 HydrophobicContact CB-CE1 4.5Å; F99-Y101 HydrophobicContact CB-CE2 3.79Å; F99-Y101 AromaticContact CD1-CD1 3.85Å; F99-Y101 HydrophobicContact CD1-CD1 3.85Å; F99-Y101 HydrophobicContact CD1-CD2 4.35Å; F99-Y101 AromaticContact CD1-CE1 3.89Å; F99-Y101 HydrophobicContact CD1-CE1 3.89Å; F99-Y101 HydrophobicContact CD1-CE2 4.41Å; F99-Y101 HydrophobicContact CD1-CG 4.07Å; F99-Y101 WeakPolarHBondContact O-CD2 3.43Å; F99-Y101 PolarHBondContact O-N 3.13Å; F99-N105 HydrophobicContact CE1-CB 4.41Å; F99-N105 WeakPolarHBondContact CE1-ND2 3.48Å; F99-N105 HydrophobicContact CZ-CB 3.89Å; F99-N105 VanDerWaalsContact CZ-CG 3.49Å; F99-L113 HydrophobicContact CB-CD1 3.86Å; F99-L113 HydrophobicContact CD1-CD1 4.44Å; F99-L113 HydrophobicContact CD1-CD2 3.72Å; F99-L113 HydrophobicContact CD2-CB 3.81Å; F99-L113 HydrophobicContact CD2-CD1 3.81Å; F99-L113 HydrophobicContact CD2-CD2 4.04Å; F99-L113 HydrophobicContact CD2-CG 4.08Å; F99-L113 HydrophobicContact CE1-CD2 3.76Å; F99-L113 HydrophobicContact CE2-CB 3.68Å; F99-L113 HydrophobicContact CE2-CD2 4.09Å; F99-L113 HydrophobicContact CE2-CG 4.3Å; F99-L113 HydrophobicContact CG-CB 4.44Å; F99-L113 HydrophobicContact CG-CD1 3.77Å; F99-L113 HydrophobicContact CG-CD2 3.86Å; F99-L113 HydrophobicContact CG-CG 4.22Å; F99-L113 HydrophobicContact CZ-CB 4.2Å; F99-L113 HydrophobicContact CZ-CD2 3.94Å; F99-V186 HydrophobicContact CD1-CG1 4.17Å; F99-V186 HydrophobicContact CE1-CG1 3.62Å; F99-V186 HydrophobicContact CZ-CG1 4.42Å
100P89.8Confident83.8Confident9 Ų953 Ų536%0.05826%0.262CS..  trans-74.976.7-178.230.8-36.5000111.4K88 D91 D102 E103 N105K88-P100 HydrophobicContact CG-CG 4.35Å; D91-P100 HydrophobicContact CB-CG 4.34Å; P100-D102 PolarHBondContact O-N 3.23Å; P100-E103 HydrophobicContact CB-CB 4.09Å; P100-E103 HydrophobicContact CB-CG 3.92Å; P100-E103 WeakPolarHBondContact O-CB 3.44Å; P100-E103 PolarHBondContact O-N 3.43Å; P100-N105 PolarHBondContact O-ND2 3.24Å
101Y92.1Very high85.6Confident37 Ų3746.3 Ų46.315%0.14523%0.234CC..THydrogen-bonded Turntrans-69.5-19.7-178.3-68.9-75.8000114W96 F99 E103 L113 V186 G190W96-Y101 WeakPolarHBondContact O-CE2 3.46Å; W96-Y101 PolarHBondContact O-OH 3.37Å; F99-Y101 VanDerWaalsContact C-N 3.26Å; F99-Y101 HydrophobicContact CB-CD2 4.23Å; F99-Y101 HydrophobicContact CB-CE1 4.5Å; F99-Y101 HydrophobicContact CB-CE2 3.79Å; F99-Y101 AromaticContact CD1-CD1 3.85Å; F99-Y101 HydrophobicContact CD1-CD1 3.85Å; F99-Y101 HydrophobicContact CD1-CD2 4.35Å; F99-Y101 AromaticContact CD1-CE1 3.89Å; F99-Y101 HydrophobicContact CD1-CE1 3.89Å; F99-Y101 HydrophobicContact CD1-CE2 4.41Å; F99-Y101 HydrophobicContact CD1-CG 4.07Å; F99-Y101 WeakPolarHBondContact O-CD2 3.43Å; F99-Y101 PolarHBondContact O-N 3.13Å; Y101-E103 PolarHBondContact O-N 2.92Å; Y101-L113 HydrophobicContact CE1-CD2 4.08Å; Y101-V186 HydrophobicContact CD1-CG1 3.84Å; Y101-V186 HydrophobicContact CE1-CG1 3.92Å; Y101-V186 VanDerWaalsContact CE1-O 3.27Å; Y101-V186 WeakPolarHBondContact CE1-O 3.37Å; Y101-G190 WeakPolarHBondContact OH-CA 3.3Å
102D88.8Confident87.2Confident133 Ų13347.7 Ų47.771%0.71125%0.246SC*.THydrogen-bonded Turntrans-84.57.3176.663-26.1000113.2P100P100-D102 PolarHBondContact O-N 3.23Å
103E87.7Confident88.9Confident18 Ų1846.2 Ų46.28%0.08423%0.234CC..SBendtrans-120154.7-174.7-68.6-84.315300112.4W80 N84 K88 P100 Y101 N105 S183W80-E103 WeakPolarHBondContact CH2-OE2 3.27Å; W80-E103 HydrophobicContact CZ2-CB 4.41Å; W80-E103 HydrophobicContact CZ2-CG 4.43Å; W80-E103 WeakPolarHBondContact CZ2-OE2 3.23Å; N84-E103 WeakPolarHBondContact CB-OE2 3.4Å; N84-E103 PolarHBondContact ND2-OE1 3.34Å; N84-E103 PolarHBondContact ND2-OE2 2.86Å; K88-E103 VanDerWaalsContact CE-OE2 3.28Å; K88-E103 WeakPolarHBondContact CE-OE2 3.46Å; K88-E103 IonicContact NZ-OE2 2.68Å; K88-E103 PolarHBondContact NZ-OE2 3.38Å; P100-E103 HydrophobicContact CB-CB 4.09Å; P100-E103 HydrophobicContact CB-CG 3.92Å; P100-E103 WeakPolarHBondContact O-CB 3.44Å; P100-E103 PolarHBondContact O-N 3.43Å; Y101-E103 PolarHBondContact O-N 2.92Å; E103-N105 PolarHBondContact O-N 3.28Å; E103-N105 PolarHBondContact O-ND2 3.48Å; E103-S183 PolarHBondContact O-OG 3.3Å; E103-S183 VanDerWaalsContact O-OG 3.06Å
104Y90.6Very high90.5Very high71 Ų7136.6 Ų36.628%0.27820%0.197SC..  trans-78.4105.7163.5-57.5-62.1000110.6W80 K88 W179 S183 R227W80-Y104 AromaticContact CH2-CD2 3.55Å; W80-Y104 HydrophobicContact CH2-CD2 3.55Å; W80-Y104 HydrophobicContact CH2-CG 4.03Å; W80-Y104 HydrophobicContact CZ2-CD2 4.23Å; W80-Y104 AromaticContact CZ3-CD2 3.77Å; W80-Y104 HydrophobicContact CZ3-CD2 3.77Å; W80-Y104 HydrophobicContact CZ3-CG 4.39Å; K88-Y104 PolarHBondContact NZ-O 3.06Å; Y104-W179 HydrophobicContact CD1-CB 3.55Å; Y104-W179 AromaticContact CD1-CE3 4Å; Y104-W179 HydrophobicContact CD1-CE3 4Å; Y104-W179 HydrophobicContact CD1-CG 4.43Å; Y104-W179 AromaticContact CD2-CE3 3.68Å; Y104-W179 HydrophobicContact CD2-CE3 3.68Å; Y104-W179 HydrophobicContact CD2-CZ3 4.2Å; Y104-W179 HydrophobicContact CE1-CB 3.54Å; Y104-W179 HydrophobicContact CE2-CE3 4.3Å; Y104-W179 HydrophobicContact CG-CB 4.27Å; Y104-W179 HydrophobicContact CG-CD2 4.42Å; Y104-W179 AromaticContact CG-CE3 3.5Å; Y104-W179 HydrophobicContact CG-CE3 3.5Å; Y104-W179 HydrophobicContact CG-CZ3 4.23Å; Y104-S183 WeakPolarHBondContact CD1-OG 3.24Å; Y104-R227 VanDerWaalsContact C-NH1 3.32Å; Y104-R227 PolarHBondContact O-NH1 3.33Å; Y104-R227 PolarHBondContact O-NH2 3.49Å
105N91Very high91.7Very high2 Ų239.9 Ų39.91%0.01121%0.211CC..  trans-96.6145.5-177.2-63.8-65.1000111.3F99 P100 E103 E109 I110 Y223F99-N105 HydrophobicContact CE1-CB 4.41Å; F99-N105 WeakPolarHBondContact CE1-ND2 3.48Å; F99-N105 HydrophobicContact CZ-CB 3.89Å; F99-N105 VanDerWaalsContact CZ-CG 3.49Å; P100-N105 PolarHBondContact O-ND2 3.24Å; E103-N105 PolarHBondContact O-N 3.28Å; E103-N105 PolarHBondContact O-ND2 3.48Å; N105-E109 WeakPolarHBondContact CA-OE2 3.42Å; N105-E109 HydrophobicContact CB-CB 4.09Å; N105-I110 HydrophobicContact CB-CD1 4.11Å; N105-I110 HydrophobicContact CB-CG1 3.78Å; N105-I110 WeakPolarHBondContact O-CD1 3.48Å; N105-Y223 WeakPolarHBondContact O-CE1 3.43Å; N105-Y223 VanDerWaalsContact O-CZ 3.3Å; N105-Y223 PolarHBondContact O-OH 3.06Å
106S92.1Very high92.1Very high19 Ų1941.3 Ų41.313%0.13322%0.215CC..  trans-67163.6174.961.90000112.4S108 E109 I110 E224S106-S108 PolarHBondContact O-N 3.18Å; S106-E109 WeakPolarHBondContact CB-OE2 3.38Å; S106-E109 PolarHBondContact N-OE2 2.87Å; S106-E109 PolarHBondContact O-N 3.3Å; S106-E109 WeakPolarHBondContact OG-CB 3.23Å; S106-E109 VanDerWaalsContact OG-CG 3.25Å; S106-E109 WeakPolarHBondContact OG-CG 3.42Å; S106-E109 PolarHBondContact OG-N 2.87Å; S106-E109 PolarHBondContact OG-OE2 3.23Å; S106-I110 WeakPolarHBondContact O-CG1 3.43Å; S106-I110 PolarHBondContact O-N 3.28Å; S106-E224 WeakPolarHBondContact CB-OE1 3.13Å
107Y94.9Very high92.2Very high39 Ų3941.1 Ų41.115%0.15321%0.214CC..Hα-helixtrans-54-40.6172.5167.2-93.3000112.1S111 R137 R138 I217 P220 E224Y107-S111 VanDerWaalsContact O-CB 3.25Å; Y107-S111 WeakPolarHBondContact O-CB 3.42Å; Y107-S111 PolarHBondContact O-N 2.96Å; Y107-S111 PolarHBondContact O-OG 2.86Å; Y107-R137 HydrophobicContact CD1-CG 4.44Å; Y107-R137 HydrophobicContact CE1-CB 4.09Å; Y107-R137 HydrophobicContact CE1-CG 4.07Å; Y107-R137 HydrophobicContact CE2-CB 4.03Å; Y107-R138 WeakPolarHBondContact CE2-O 3.04Å; Y107-R138 PolarHBondContact OH-N 3.48Å; Y107-R138 PolarHBondContact OH-O 3.07Å; Y107-I217 HydrophobicContact CD2-CD1 4.18Å; Y107-P220 HydrophobicContact CD2-CB 3.44Å; Y107-P220 VanDerWaalsContact CD2-CB 3.44Å; Y107-P220 HydrophobicContact CE2-CB 3.77Å; Y107-P220 HydrophobicContact CE2-CG 4.48Å; Y107-P220 HydrophobicContact CG-CB 4.26Å; Y107-E224 WeakPolarHBondContact CB-OE1 3.18Å; Y107-E224 PolarHBondContact N-OE1 3Å
108S92.5Very high92.3Very high74 Ų7443.4 Ų43.452%0.51722%0.216SC..Hα-helixtrans-66.4-45.4179.3-170.90000111.7S106 S111 S112S106-S108 PolarHBondContact O-N 3.18Å; S108-S111 PolarHBondContact O-N 3.35Å; S108-S112 WeakPolarHBondContact O-CB 3.26Å; S108-S112 PolarHBondContact O-N 3.5Å; S108-S112 PolarHBondContact O-OG 3.37Å
109E91.8Very high92.5Very high31 Ų3141.3 Ų41.315%0.14522%0.22CC..Hα-helixtrans-63.4-43.9179.4-73157.5164.100111.3K88 N105 S106 S112 L113K88-E109 WeakPolarHBondContact CB-OE1 3.49Å; K88-E109 WeakPolarHBondContact CD-OE1 3.21Å; N105-E109 WeakPolarHBondContact CA-OE2 3.42Å; N105-E109 HydrophobicContact CB-CB 4.09Å; S106-E109 WeakPolarHBondContact CB-OE2 3.38Å; S106-E109 PolarHBondContact N-OE2 2.87Å; S106-E109 PolarHBondContact O-N 3.3Å; S106-E109 WeakPolarHBondContact OG-CB 3.23Å; S106-E109 VanDerWaalsContact OG-CG 3.25Å; S106-E109 WeakPolarHBondContact OG-CG 3.42Å; S106-E109 PolarHBondContact OG-N 2.87Å; S106-E109 PolarHBondContact OG-OE2 3.23Å; E109-S112 PolarHBondContact O-N 3.11Å; E109-L113 PolarHBondContact O-N 3.36Å
110I95Very high92.5Very high5 Ų545 Ų453%0.02624%0.237CC..Hα-helixtrans-66-43177.3-65.9168.7000110.3N105 S106 S112 L113 L114 V182 V186 P216 I217N105-I110 HydrophobicContact CB-CD1 4.11Å; N105-I110 HydrophobicContact CB-CG1 3.78Å; N105-I110 WeakPolarHBondContact O-CD1 3.48Å; S106-I110 WeakPolarHBondContact O-CG1 3.43Å; S106-I110 PolarHBondContact O-N 3.28Å; I110-S112 VanDerWaalsContact C-N 3.33Å; I110-S112 PolarHBondContact O-N 3.34Å; I110-L113 WeakPolarHBondContact O-CB 3.42Å; I110-L113 PolarHBondContact O-N 3.3Å; I110-L114 WeakPolarHBondContact O-CG 3.5Å; I110-L114 PolarHBondContact O-N 3.03Å; I110-V182 HydrophobicContact CD1-CG1 3.47Å; I110-V182 VanDerWaalsContact CD1-CG1 3.47Å; I110-V186 HydrophobicContact CD1-CG2 3.88Å; I110-V186 HydrophobicContact CG1-CG2 3.91Å; I110-V186 HydrophobicContact CG2-CG2 3.93Å; I110-P216 HydrophobicContact CG2-CB 4.02Å; I110-P216 HydrophobicContact CG2-CG 4.32Å; I110-I217 HydrophobicContact CB-CD1 4.11Å; I110-I217 HydrophobicContact CD1-CD1 3.57Å; I110-I217 HydrophobicContact CD1-CG1 4.13Å; I110-I217 HydrophobicContact CG1-CD1 4.41Å; I110-I217 HydrophobicContact CG2-CD1 4.15Å; I110-I217 HydrophobicContact CG2-CG1 4.45Å
111S95Very high92.6Very high12 Ų1245.9 Ų45.98%0.08424%0.24CC..Hα-helixtrans-60.8-41.7176-63.80000112.1Y107 S108 L114 M115Y107-S111 VanDerWaalsContact O-CB 3.25Å; Y107-S111 WeakPolarHBondContact O-CB 3.42Å; Y107-S111 PolarHBondContact O-N 2.96Å; Y107-S111 PolarHBondContact O-OG 2.86Å; S108-S111 PolarHBondContact O-N 3.35Å; S111-L114 PolarHBondContact O-N 3.44Å; S111-M115 WeakPolarHBondContact O-CG 3.43Å; S111-M115 PolarHBondContact O-N 3.42Å; S111-M115 VanDerWaalsContact O-N 3.08Å
112S93.2Very high92.5Very high58 Ų5847.5 Ų47.541%0.40626%0.255SS..Hα-helixtrans-62.7-43.8174.9-700000112.1S108 E109 I110 L114 M115 Q116S108-S112 WeakPolarHBondContact O-CB 3.26Å; S108-S112 PolarHBondContact O-N 3.5Å; S108-S112 PolarHBondContact O-OG 3.37Å; E109-S112 PolarHBondContact O-N 3.11Å; I110-S112 VanDerWaalsContact C-N 3.33Å; I110-S112 PolarHBondContact O-N 3.34Å; S112-L114 VanDerWaalsContact C-N 3.35Å; S112-L114 PolarHBondContact O-N 3.2Å; S112-M115 PolarHBondContact O-N 3Å; S112-Q116 WeakPolarHBondContact O-CB 3.37Å; S112-Q116 PolarHBondContact O-N 3.3Å
113L94.4Very high92.5Very high2 Ų245.3 Ų45.31%0.0124%0.243CC..Hα-helixtrans-56.2-48.4173172.366.4000111.4W96 F99 Y101 E109 I110 M115 Q116 V117 V186W96-L113 HydrophobicContact CB-CD1 3.85Å; F99-L113 HydrophobicContact CB-CD1 3.86Å; F99-L113 HydrophobicContact CD1-CD1 4.44Å; F99-L113 HydrophobicContact CD1-CD2 3.72Å; F99-L113 HydrophobicContact CD2-CB 3.81Å; F99-L113 HydrophobicContact CD2-CD1 3.81Å; F99-L113 HydrophobicContact CD2-CD2 4.04Å; F99-L113 HydrophobicContact CD2-CG 4.08Å; F99-L113 HydrophobicContact CE1-CD2 3.76Å; F99-L113 HydrophobicContact CE2-CB 3.68Å; F99-L113 HydrophobicContact CE2-CD2 4.09Å; F99-L113 HydrophobicContact CE2-CG 4.3Å; F99-L113 HydrophobicContact CG-CB 4.44Å; F99-L113 HydrophobicContact CG-CD1 3.77Å; F99-L113 HydrophobicContact CG-CD2 3.86Å; F99-L113 HydrophobicContact CG-CG 4.22Å; F99-L113 HydrophobicContact CZ-CB 4.2Å; F99-L113 HydrophobicContact CZ-CD2 3.94Å; Y101-L113 HydrophobicContact CE1-CD2 4.08Å; E109-L113 PolarHBondContact O-N 3.36Å; I110-L113 WeakPolarHBondContact O-CB 3.42Å; I110-L113 PolarHBondContact O-N 3.3Å; L113-M115 VanDerWaalsContact C-N 3.3Å; L113-M115 PolarHBondContact O-N 3.03Å; L113-Q116 WeakPolarHBondContact O-CB 3.35Å; L113-Q116 PolarHBondContact O-N 3.06Å; L113-Q116 VanDerWaalsContact O-N 3.12Å; L113-V117 HydrophobicContact CD1-CG2 4.03Å; L113-V117 HydrophobicContact CG-CG2 4.31Å; L113-V117 WeakPolarHBondContact O-CG2 3.27Å; L113-V117 PolarHBondContact O-N 3.01Å; L113-V186 HydrophobicContact CD2-CG1 3.53Å
114L95.6Very high92.6Very high3 Ų344.7 Ų44.72%0.01624%0.24CC..Hα-helixtrans-60.7-40.7-179.6-66-170.2000111.9I110 S111 S112 R118 L127 L140 V142 I189 P216I110-L114 WeakPolarHBondContact O-CG 3.5Å; I110-L114 PolarHBondContact O-N 3.03Å; S111-L114 PolarHBondContact O-N 3.44Å; S112-L114 VanDerWaalsContact C-N 3.35Å; S112-L114 PolarHBondContact O-N 3.2Å; L114-R118 PolarHBondContact O-N 2.81Å; L114-R118 VanDerWaalsContact O-N 3.11Å; L114-L127 HydrophobicContact CB-CD1 4.46Å; L114-L127 HydrophobicContact CB-CD2 3.81Å; L114-L140 HydrophobicContact CB-CD2 4.06Å; L114-L140 HydrophobicContact CD1-CB 4.26Å; L114-L140 HydrophobicContact CD1-CD2 3.98Å; L114-L140 HydrophobicContact CD1-CG 3.93Å; L114-L140 WeakPolarHBondContact CD1-O 3.15Å; L114-V142 HydrophobicContact CD2-CB 4.07Å; L114-V142 HydrophobicContact CD2-CG1 3.99Å; L114-I189 HydrophobicContact CD2-CD1 3.76Å; L114-P216 HydrophobicContact CD1-CG 4.29Å; L114-P216 HydrophobicContact CD2-CG 4.39Å
115M93.9Very high92.7Very high97 Ų9741.4 Ų41.448%0.47823%0.228SC..Hα-helixtrans-64.2-39.7174.5-67.8-174.9-158.100112.3S111 S112 L113 R118 A119 L127S111-M115 WeakPolarHBondContact O-CG 3.43Å; S111-M115 PolarHBondContact O-N 3.42Å; S111-M115 VanDerWaalsContact O-N 3.08Å; S112-M115 PolarHBondContact O-N 3Å; L113-M115 VanDerWaalsContact C-N 3.3Å; L113-M115 PolarHBondContact O-N 3.03Å; M115-R118 PolarHBondContact O-N 3.06Å; M115-A119 PolarHBondContact O-N 3.33Å; M115-A119 VanDerWaalsContact O-N 3.12Å; M115-L127 HydrophobicContact CG-CD1 4.09Å
116Q93Very high92.7Very high41 Ų4145.3 Ų45.319%0.19224%0.242CC..Hα-helixtrans-66-47.3176.3178.6166.427.200112.2S112 L113 R118 A119 E120S112-Q116 WeakPolarHBondContact O-CB 3.37Å; S112-Q116 PolarHBondContact O-N 3.3Å; L113-Q116 WeakPolarHBondContact O-CB 3.35Å; L113-Q116 PolarHBondContact O-N 3.06Å; L113-Q116 VanDerWaalsContact O-N 3.12Å; Q116-R118 PolarHBondContact O-N 3.24Å; Q116-A119 WeakPolarHBondContact O-CA 3.47Å; Q116-A119 WeakPolarHBondContact O-CB 3.03Å; Q116-A119 PolarHBondContact O-N 3.29Å; Q116-E120 HydrophobicContact CG-CG 4.44Å; Q116-E120 VanDerWaalsContact CG-OE1 3.23Å; Q116-E120 WeakPolarHBondContact CG-OE1 3.37Å; Q116-E120 PolarHBondContact NE2-OE1 3.25Å; Q116-E120 PolarHBondContact O-N 3.4Å
117V94.4Very high92.7Very high0 Ų045.3 Ų45.30%024%0.241CC..Hα-helixtrans-52.8-45.1174.6163.40000110.7W96 L113 A119 E120 F121 T125 V142 I189 L193W96-V117 HydrophobicContact CB-CG2 3.87Å; W96-V117 HydrophobicContact CG-CG2 4.47Å; L113-V117 HydrophobicContact CD1-CG2 4.03Å; L113-V117 HydrophobicContact CG-CG2 4.31Å; L113-V117 WeakPolarHBondContact O-CG2 3.27Å; L113-V117 PolarHBondContact O-N 3.01Å; V117-A119 VanDerWaalsContact C-N 3.33Å; V117-A119 PolarHBondContact O-N 3.4Å; V117-E120 PolarHBondContact O-N 3.42Å; V117-F121 PolarHBondContact O-N 3.42Å; V117-T125 HydrophobicContact CG1-CG2 3.85Å; V117-T125 PolarHBondContact O-OG1 2.8Å; V117-V142 HydrophobicContact CG1-CG2 4.38Å; V117-I189 HydrophobicContact CG2-CG2 4.47Å; V117-L193 HydrophobicContact CB-CD1 4.16Å; V117-L193 HydrophobicContact CG1-CD1 3.52Å; V117-L193 HydrophobicContact CG1-CD2 4.27Å; V117-L193 HydrophobicContact CG1-CG 4.5Å; V117-L193 HydrophobicContact CG2-CD1 3.55Å
118R92.9Very high92.6Very high131 Ų13144.9 Ų44.949%0.49424%0.242SC..Hα-helixtrans-60.2-41.1175.1179.8-175.6171160.20113.1L114 M115 Q116 P122 T125 L127L114-R118 PolarHBondContact O-N 2.81Å; L114-R118 VanDerWaalsContact O-N 3.11Å; M115-R118 PolarHBondContact O-N 3.06Å; Q116-R118 PolarHBondContact O-N 3.24Å; R118-P122 WeakPolarHBondContact O-CA 3.27Å; R118-T125 WeakPolarHBondContact CA-OG1 3.46Å; R118-L127 HydrophobicContact CB-CD1 4.05Å; R118-L127 HydrophobicContact CB-CG 3.98Å; R118-L127 HydrophobicContact CG-CG 4.4Å
119A92.2Very high92.7Very high76 Ų7643.8 Ų43.863%0.62823%0.232SC*.Hα-helixtrans-69.7-36.5-178.500000112.1M115 Q116 V117M115-A119 PolarHBondContact O-N 3.33Å; M115-A119 VanDerWaalsContact O-N 3.12Å; Q116-A119 WeakPolarHBondContact O-CA 3.47Å; Q116-A119 WeakPolarHBondContact O-CB 3.03Å; Q116-A119 PolarHBondContact O-N 3.29Å; V117-A119 VanDerWaalsContact C-N 3.33Å; V117-A119 PolarHBondContact O-N 3.4Å
120E92Very high92.8Very high87 Ų8746.2 Ų46.241%0.40725%0.245SC..Hα-helixtrans-84.9-28.6-178-67.2-168.9-133.600113.4W96 Q116 V117 P122W96-E120 PolarHBondContact NE1-OE2 2.79Å; Q116-E120 HydrophobicContact CG-CG 4.44Å; Q116-E120 VanDerWaalsContact CG-OE1 3.23Å; Q116-E120 WeakPolarHBondContact CG-OE1 3.37Å; Q116-E120 PolarHBondContact NE2-OE1 3.25Å; Q116-E120 PolarHBondContact O-N 3.4Å; V117-E120 PolarHBondContact O-N 3.42Å; E120-P122 WeakPolarHBondContact O-CD 3.39Å
121F91.9Very high92.8Very high28 Ų2847 Ų4712%0.12326%0.255CS..  trans-122.154.5179.3-60.9-81.6000113.5W96 V117 N123 I124 T125 L193 K197W96-F121 AromaticContact CD1-CE2 3.79Å; W96-F121 AromaticContact CD2-CE2 3.83Å; W96-F121 HydrophobicContact CD2-CE2 3.83Å; W96-F121 HydrophobicContact CD2-CZ 4.38Å; W96-F121 AromaticContact CE2-CE2 3.35Å; W96-F121 AromaticContact CE2-CZ 3.53Å; W96-F121 HydrophobicContact CG-CE2 4.13Å; W96-F121 HydrophobicContact CH2-CE2 4.48Å; W96-F121 HydrophobicContact CH2-CZ 4.17Å; W96-F121 AromaticContact CZ2-CE2 3.75Å; W96-F121 HydrophobicContact CZ2-CE2 3.75Å; W96-F121 AromaticContact CZ2-CZ 3.43Å; W96-F121 HydrophobicContact CZ2-CZ 3.43Å; W96-F121 VanDerWaalsContact CZ2-CZ 3.43Å; W96-F121 AromaticContact NE1-CE2 3.31Å; W96-F121 VanDerWaalsContact NE1-CE2 3.31Å; W96-F121 AromaticContact NE1-CZ 3.68Å; V117-F121 PolarHBondContact O-N 3.42Å; F121-N123 PolarHBondContact O-N 2.7Å; F121-I124 HydrophobicContact CB-CD1 4.15Å; F121-I124 HydrophobicContact CB-CG1 3.74Å; F121-I124 HydrophobicContact CD1-CD1 4.09Å; F121-I124 HydrophobicContact CD1-CG1 4.4Å; F121-I124 HydrophobicContact CG-CD1 4.35Å; F121-I124 HydrophobicContact CG-CG1 4.44Å; F121-I124 PolarHBondContact O-N 2.81Å; F121-T125 HydrophobicContact CB-CG2 3.86Å; F121-T125 PolarHBondContact O-N 2.98Å; F121-T125 PolarHBondContact O-OG1 3.22Å; F121-L193 HydrophobicContact CD2-CD1 4.3Å; F121-L193 HydrophobicContact CD2-CD2 3.83Å; F121-L193 HydrophobicContact CE2-CB 4.14Å; F121-L193 HydrophobicContact CE2-CD1 4.12Å; F121-L193 HydrophobicContact CE2-CD2 4Å; F121-L193 HydrophobicContact CE2-CG 4.31Å; F121-L193 HydrophobicContact CG-CD2 4.14Å; F121-L193 HydrophobicContact CZ-CB 4.29Å; F121-L193 HydrophobicContact CZ-CD2 4.48Å; F121-K197 HydrophobicContact CZ-CD 4.47Å
122P90Very high93Very high70 Ų7052.3 Ų52.346%0.45528%0.278SS..THydrogen-bonded Turntrans-63.9-21.1-172.927.1-36.2000113.8R118 E120R118-P122 WeakPolarHBondContact O-CA 3.27Å; E120-P122 WeakPolarHBondContact O-CD 3.39Å
123N87.4Confident93.2Very high87 Ų8750.6 Ų50.647%0.46527%0.266SS..THydrogen-bonded Turntrans-83.3-17.7-177.1-63.9-23.7000114F121 L148 L149F121-N123 PolarHBondContact O-N 2.7Å; N123-L148 WeakPolarHBondContact O-CB 3.33Å; N123-L148 PolarHBondContact O-N 3.28Å; N123-L149 HydrophobicContact CB-CD1 4.49Å; N123-L149 WeakPolarHBondContact OD1-CD1 3.27Å
124I90.6Very high93.4Very high6 Ų661.3 Ų61.33%0.03131%0.308CS..THydrogen-bonded Turntrans-127-12.2-177.759.1155.8000113.4F121 V144 T145 L193 Y196 M207F121-I124 HydrophobicContact CB-CD1 4.15Å; F121-I124 HydrophobicContact CB-CG1 3.74Å; F121-I124 HydrophobicContact CD1-CD1 4.09Å; F121-I124 HydrophobicContact CD1-CG1 4.4Å; F121-I124 HydrophobicContact CG-CD1 4.35Å; F121-I124 HydrophobicContact CG-CG1 4.44Å; F121-I124 PolarHBondContact O-N 2.81Å; I124-V144 HydrophobicContact CD1-CG1 4.31Å; I124-V144 CarbonylContact O-C 3.57Å; I124-V144 WeakPolarHBondContact O-CA 3.21Å; I124-T145 VanDerWaalsContact CA-O 3.24Å; I124-T145 WeakPolarHBondContact CA-O 3.4Å; I124-T145 WeakPolarHBondContact CB-O 3.37Å; I124-T145 PolarHBondContact O-N 2.62Å; I124-T145 VanDerWaalsContact O-O 3.11Å; I124-L193 HydrophobicContact CD1-CD2 4.24Å; I124-Y196 HydrophobicContact CD1-CD1 3.53Å; I124-Y196 HydrophobicContact CD1-CD2 4.38Å; I124-Y196 HydrophobicContact CD1-CE1 3.6Å; I124-Y196 HydrophobicContact CD1-CE2 4.43Å; I124-Y196 HydrophobicContact CD1-CG 3.95Å; I124-Y196 HydrophobicContact CG1-CE1 4.39Å; I124-Y196 HydrophobicContact CG2-CE1 4.21Å; I124-Y196 HydrophobicContact CG2-CE2 4.27Å; I124-Y196 WeakPolarHBondContact CG2-OH 3.25Å; I124-M207 HydrophobicContact CB-CE 4.22Å; I124-M207 HydrophobicContact CD1-CE 4.09Å; I124-M207 HydrophobicContact CG2-CE 4.43Å
125T91.8Very high93.5Very high2 Ų267 Ų671%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-118.8138-177.164.60000113.4V117 R118 F121 V143 V144 L148 L193V117-T125 HydrophobicContact CG1-CG2 3.85Å; V117-T125 PolarHBondContact O-OG1 2.8Å; R118-T125 WeakPolarHBondContact CA-OG1 3.46Å; F121-T125 HydrophobicContact CB-CG2 3.86Å; F121-T125 PolarHBondContact O-N 2.98Å; F121-T125 PolarHBondContact O-OG1 3.22Å; T125-V143 CarbonylContact C-O 3.52Å; T125-V143 WeakPolarHBondContact CA-O 3.24Å; T125-V144 HydrophobicContact CG2-CG1 4.4Å; T125-V144 HydrophobicContact CG2-CG2 4.12Å; T125-L148 WeakPolarHBondContact O-CD2 3.23Å; T125-L193 HydrophobicContact CG2-CD2 4Å
126R91Very high93.6Very high84 Ų8464.6 Ų64.632%0.31734%0.335SS..EExtended strand (participates in β ladder)trans-130.7142.8172.4-178.8176.3175.2178.6-1.6109.4V128 V143 L148R126-V128 HydrophobicContact CG-CG2 4.31Å; R126-V143 HydrophobicContact CB-CB 4.34Å; R126-V143 PolarHBondContact N-O 3.36Å; R126-V143 PolarHBondContact O-N 3.21Å; R126-L148 HydrophobicContact CB-CD1 4Å; R126-L148 HydrophobicContact CB-CD2 3.97Å
127L93.2Very high93.9Very high19 Ų1965.5 Ų65.510%0.09934%0.337CS..EExtended strand (participates in β ladder)trans-98.9132.6168.9-63.3179.7000110.5L114 M115 R118 L140 A141 V142L114-L127 HydrophobicContact CB-CD1 4.46Å; L114-L127 HydrophobicContact CB-CD2 3.81Å; M115-L127 HydrophobicContact CG-CD1 4.09Å; R118-L127 HydrophobicContact CB-CD1 4.05Å; R118-L127 HydrophobicContact CB-CG 3.98Å; R118-L127 HydrophobicContact CG-CG 4.4Å; L127-L140 HydrophobicContact CB-CD1 4Å; L127-L140 HydrophobicContact CD1-CD1 4.41Å; L127-L140 HydrophobicContact CD1-CD2 4.33Å; L127-A141 WeakPolarHBondContact CA-O 3.49Å; L127-V142 HydrophobicContact CD2-CB 3.93Å; L127-V142 HydrophobicContact CD2-CG2 4.08Å
128V92.1Very high94Very high30 Ų3070.3 Ų70.318%0.18236%0.355CS..EExtended strand (participates in β ladder)trans-122.1127.6177.8-177.50000108.3R126 I130 A141 V143 I161R126-V128 HydrophobicContact CG-CG2 4.31Å; V128-I130 HydrophobicContact CG1-CG2 4.13Å; V128-A141 PolarHBondContact N-O 2.86Å; V128-A141 PolarHBondContact O-N 2.88Å; V128-V143 HydrophobicContact CG2-CG2 3.81Å; V128-I161 HydrophobicContact CG2-CG2 3.86Å
129T94.9Very high94.3Very high51 Ų5165.2 Ų65.231%0.31334%0.337SS..EExtended strand (participates in β ladder)trans-91.1111168.8-48.50000106.9G131 R138 L139T129-G131 VanDerWaalsContact C-N 3.31Å; T129-G131 VanDerWaalsContact CG2-O 3.26Å; T129-G131 WeakPolarHBondContact CG2-O 3.38Å; T129-R138 HydrophobicContact CG2-CB 3.96Å; T129-R138 HydrophobicContact CG2-CG 4.05Å; T129-R138 PolarHBondContact OG1-NE 3.01Å; T129-R138 PolarHBondContact OG1-NH2 2.99Å; T129-L139 WeakPolarHBondContact CA-O 3.48Å
130I93.3Very high94.5Very high81 Ų8162 Ų6242%0.41531%0.31SS..EExtended strand (participates in β ladder)trans-84.6-11.9-178.163.8156.7000112.5V128 L139 A141 W169 L215V128-I130 HydrophobicContact CG1-CG2 4.13Å; I130-L139 HydrophobicContact CD1-CB 4.15Å; I130-L139 HydrophobicContact CD1-CD1 4.34Å; I130-L139 HydrophobicContact CG1-CB 3.49Å; I130-L139 VanDerWaalsContact CG1-CB 3.49Å; I130-L139 HydrophobicContact CG1-CD1 4.27Å; I130-L139 WeakPolarHBondContact CG1-O 3.49Å; I130-L139 PolarHBondContact N-O 2.96Å; I130-A141 HydrophobicContact CG2-CB 4.41Å; I130-W169 HydrophobicContact CD1-CH2 4.26Å; I130-L215 HydrophobicContact CD1-CD2 3.54Å; I130-L215 HydrophobicContact CG1-CD2 4.44Å
131G96.3Very high94.7Very high23 Ų2358 Ų5824%0.23729%0.291CS..EExtended strand (participates in β ladder)trans168-170-178.700000111.4T129 L139T129-G131 VanDerWaalsContact C-N 3.31Å; T129-G131 VanDerWaalsContact CG2-O 3.26Å; T129-G131 WeakPolarHBondContact CG2-O 3.38Å; G131-L139 PolarHBondContact O-N 3.5Å
132H98.1Very high94.9Very high122 Ų12256.6 Ų56.657%0.56529%0.285SS*.EExtended strand (participates in β ladder)trans-124.5149.1172.3-63.781.1000109.3R137H132-R137 CarbonylContact C-O 3.53Å; H132-R137 VanDerWaalsContact CA-O 3.22Å; H132-R137 WeakPolarHBondContact CA-O 3.26Å
133S98.1Very high95.1Very high22 Ų2253.4 Ų53.415%0.15426%0.264CS..  trans-72.8177.6171.3730000111.4E135 G136 R137 D221S133-E135 VanDerWaalsContact C-N 3.33Å; S133-E135 PolarHBondContact O-N 3.43Å; S133-G136 PolarHBondContact O-N 3.21Å; S133-G136 VanDerWaalsContact O-N 3.11Å; S133-G136 PolarHBondContact OG-N 2.9Å; S133-R137 PolarHBondContact N-O 3.43Å; S133-R137 WeakPolarHBondContact OG-CB 3.43Å; S133-R137 PolarHBondContact OG-N 3.1Å; S133-R137 PolarHBondContact OG-O 2.74Å; S133-D221 VanDerWaalsContact CB-CG 3.43Å; S133-D221 WeakPolarHBondContact CB-OD1 3.34Å; S133-D221 WeakPolarHBondContact CB-OD2 3.39Å; S133-D221 PolarHBondContact OG-OD1 3.15Å; S133-D221 PolarHBondContact OG-OD2 3.08Å
134Y98Very high95.3Very high227 Ų22749.2 Ų49.289%0.8924%0.242SC*.THydrogen-bonded Turntrans-63-40.9179.2-179.2-95.2000111.7G136 D221Y134-G136 PolarHBondContact O-N 2.62Å; Y134-D221 PolarHBondContact N-OD2 3.48Å
135E97.6Very high95.1Very high122 Ų12249 Ų4957%0.5724%0.241SC*.THydrogen-bonded Turntrans-84.111.3176.4-57.8-175.4170.500113.1S133 R137 D221S133-E135 VanDerWaalsContact C-N 3.33Å; S133-E135 PolarHBondContact O-N 3.43Å; E135-R137 IonicContact OE2-CZ 3.04Å; E135-R137 IonicContact OE2-NH1 2.79Å; E135-R137 PolarHBondContact OE2-NH1 2.99Å; E135-R137 IonicContact OE2-NH2 2.97Å; E135-R137 PolarHBondContact OE2-NH2 3.43Å; E135-R137 VanDerWaalsContact OE2-NH2 3.1Å; E135-D221 HydrophobicContact CG-CB 4.23Å; E135-D221 PolarHBondContact N-OD2 2.68Å
136G97.6Very high94.3Very high48 Ų4849.2 Ų49.250%0.49524%0.242SC..SBendtrans8211.6173.300000115.8S133 Y134S133-G136 PolarHBondContact O-N 3.21Å; S133-G136 VanDerWaalsContact O-N 3.11Å; S133-G136 PolarHBondContact OG-N 2.9Å; Y134-G136 PolarHBondContact O-N 2.62Å
137R97.8Very high93.1Very high60 Ų6050.9 Ų50.923%0.22625%0.254CS..  trans-71.7144.5172.8-62.9-175.3-175.578.41.6110.2Y107 H132 S133 E135 P220 D221Y107-R137 HydrophobicContact CD1-CG 4.44Å; Y107-R137 HydrophobicContact CE1-CB 4.09Å; Y107-R137 HydrophobicContact CE1-CG 4.07Å; Y107-R137 HydrophobicContact CE2-CB 4.03Å; H132-R137 CarbonylContact C-O 3.53Å; H132-R137 VanDerWaalsContact CA-O 3.22Å; H132-R137 WeakPolarHBondContact CA-O 3.26Å; S133-R137 PolarHBondContact N-O 3.43Å; S133-R137 WeakPolarHBondContact OG-CB 3.43Å; S133-R137 PolarHBondContact OG-N 3.1Å; S133-R137 PolarHBondContact OG-O 2.74Å; E135-R137 IonicContact OE2-CZ 3.04Å; E135-R137 IonicContact OE2-NH1 2.79Å; E135-R137 PolarHBondContact OE2-NH1 2.99Å; E135-R137 IonicContact OE2-NH2 2.97Å; E135-R137 PolarHBondContact OE2-NH2 3.43Å; E135-R137 VanDerWaalsContact OE2-NH2 3.1Å; R137-P220 HydrophobicContact CB-CB 4.19Å; R137-P220 HydrophobicContact CB-CG 3.97Å; R137-D221 IonicContact CZ-OD1 3.78Å; R137-D221 IonicContact NH1-OD1 3.56Å; R137-D221 PolarHBondContact NH1-OD1 3.02Å
138R97.9Very high91.8Very high101 Ų10151.3 Ų51.338%0.38126%0.256SS..EExtended strand (participates in β ladder)trans-76.1129.6-179.6-71.1171.963.6-171.3-3.7110Y107 T129 L140Y107-R138 WeakPolarHBondContact CE2-O 3.04Å; Y107-R138 PolarHBondContact OH-N 3.48Å; Y107-R138 PolarHBondContact OH-O 3.07Å; T129-R138 HydrophobicContact CG2-CB 3.96Å; T129-R138 HydrophobicContact CG2-CG 4.05Å; T129-R138 PolarHBondContact OG1-NE 3.01Å; T129-R138 PolarHBondContact OG1-NH2 2.99Å; R138-L140 PolarHBondContact O-N 3.43Å; R138-L140 VanDerWaalsContact O-N 3.08Å
139L97.9Very high90Very high23 Ų2354.6 Ų54.612%0.1227%0.272CS..EExtended strand (participates in β ladder)trans-79.690.5167-62.4179.9000108.2T129 I130 G131 L215 L218 P220T129-L139 WeakPolarHBondContact CA-O 3.48Å; I130-L139 HydrophobicContact CD1-CB 4.15Å; I130-L139 HydrophobicContact CD1-CD1 4.34Å; I130-L139 HydrophobicContact CG1-CB 3.49Å; I130-L139 VanDerWaalsContact CG1-CB 3.49Å; I130-L139 HydrophobicContact CG1-CD1 4.27Å; I130-L139 WeakPolarHBondContact CG1-O 3.49Å; I130-L139 PolarHBondContact N-O 2.96Å; G131-L139 PolarHBondContact O-N 3.5Å; L139-L215 HydrophobicContact CB-CD1 4.5Å; L139-L218 VanDerWaalsContact CD2-O 3.24Å; L139-L218 WeakPolarHBondContact CD2-O 3.39Å; L139-P220 VanDerWaalsContact CD2-CD 3.46Å; L139-P220 HydrophobicContact CD2-CG 3.78Å
140L96.6Very high87.9Confident9 Ų954.4 Ų54.45%0.04727%0.27CS..EExtended strand (participates in β ladder)trans-97.9107.8-168.9-168.864.2000111L114 L127 R138 L215L114-L140 HydrophobicContact CB-CD2 4.06Å; L114-L140 HydrophobicContact CD1-CB 4.26Å; L114-L140 HydrophobicContact CD1-CD2 3.98Å; L114-L140 HydrophobicContact CD1-CG 3.93Å; L114-L140 WeakPolarHBondContact CD1-O 3.15Å; L127-L140 HydrophobicContact CB-CD1 4Å; L127-L140 HydrophobicContact CD1-CD1 4.41Å; L127-L140 HydrophobicContact CD1-CD2 4.33Å; R138-L140 PolarHBondContact O-N 3.43Å; R138-L140 VanDerWaalsContact O-N 3.08Å; L140-L215 WeakPolarHBondContact O-CD1 3.27Å
141A96.7Very high85.9Confident2 Ų251.9 Ų51.92%0.01726%0.258CS..EExtended strand (participates in β ladder)trans-96.2145172.100000110.9L127 V128 I130 I214 L215L127-A141 WeakPolarHBondContact CA-O 3.49Å; V128-A141 PolarHBondContact N-O 2.86Å; V128-A141 PolarHBondContact O-N 2.88Å; I130-A141 HydrophobicContact CG2-CB 4.41Å; A141-I214 CarbonylContact C-O 3.48Å; A141-I214 VanDerWaalsContact CA-O 3.25Å; A141-I214 WeakPolarHBondContact CA-O 3.22Å; A141-L215 HydrophobicContact CB-CB 4.18Å; A141-L215 HydrophobicContact CB-CD1 4.24Å
142V95.4Very high83.7Confident0 Ų057.5 Ų57.50%028%0.282CS..EExtended strand (participates in β ladder)trans-100.5135.5166.663.80000109.6L114 V117 L127 V144 I189 I214L114-V142 HydrophobicContact CD2-CB 4.07Å; L114-V142 HydrophobicContact CD2-CG1 3.99Å; V117-V142 HydrophobicContact CG1-CG2 4.38Å; L127-V142 HydrophobicContact CD2-CB 3.93Å; L127-V142 HydrophobicContact CD2-CG2 4.08Å; V142-V144 HydrophobicContact CG2-CG2 4.14Å; V142-I189 HydrophobicContact CG1-CD1 3.52Å; V142-I189 HydrophobicContact CG1-CG1 3.76Å; V142-I189 HydrophobicContact CG1-CG2 4.4Å; V142-I214 HydrophobicContact CG1-CB 4Å; V142-I214 PolarHBondContact N-O 2.9Å; V142-I214 PolarHBondContact O-N 2.85Å
143V93.8Very high81.2Confident2 Ų257.5 Ų57.51%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-111.4121.4174.8-176.40000107.2T125 R126 V128 T145 I161 W212 Y213T125-V143 CarbonylContact C-O 3.52Å; T125-V143 WeakPolarHBondContact CA-O 3.24Å; R126-V143 HydrophobicContact CB-CB 4.34Å; R126-V143 PolarHBondContact N-O 3.36Å; R126-V143 PolarHBondContact O-N 3.21Å; V128-V143 HydrophobicContact CG2-CG2 3.81Å; V143-T145 HydrophobicContact CG1-CG2 4.15Å; V143-I161 HydrophobicContact CB-CG2 4.32Å; V143-I161 HydrophobicContact CG1-CG2 4.12Å; V143-I161 HydrophobicContact CG2-CG2 3.65Å; V143-W212 CarbonylContact C-O 3.5Å; V143-W212 VanDerWaalsContact CA-O 3.24Å; V143-W212 WeakPolarHBondContact CA-O 3.32Å; V143-Y213 HydrophobicContact CB-CD1 4.41Å; V143-Y213 HydrophobicContact CG1-CD1 4Å; V143-Y213 HydrophobicContact CG1-CE1 3.79Å; V143-Y213 HydrophobicContact CG2-CD1 3.67Å; V143-Y213 HydrophobicContact CG2-CE1 4.01Å
144V92.6Very high78.8Confident0 Ų063.1 Ų63.10%032%0.316CS..EExtended strand (participates in β ladder)trans-112.8106.6177.1-170.80000107.6I124 T125 V142 I192 M207 S211 W212I124-V144 HydrophobicContact CD1-CG1 4.31Å; I124-V144 CarbonylContact O-C 3.57Å; I124-V144 WeakPolarHBondContact O-CA 3.21Å; T125-V144 HydrophobicContact CG2-CG1 4.4Å; T125-V144 HydrophobicContact CG2-CG2 4.12Å; V142-V144 HydrophobicContact CG2-CG2 4.14Å; V144-I192 HydrophobicContact CB-CG2 4.39Å; V144-I192 HydrophobicContact CG1-CG2 3.85Å; V144-M207 HydrophobicContact CG1-CE 3.47Å; V144-M207 VanDerWaalsContact CG1-CE 3.47Å; V144-M207 HydrophobicContact CG1-SD 3.97Å; V144-S211 WeakPolarHBondContact O-CA 3.46Å; V144-W212 HydrophobicContact CB-CB 4.18Å; V144-W212 PolarHBondContact N-O 3.32Å; V144-W212 PolarHBondContact O-N 2.93Å
145T87.4Confident76.3Confident0 Ų057.1 Ų57.10%031%0.306CS..  trans-137.8148.9-169.6170.90000109.7I124 V143 L148 G162 N163 S211I124-T145 VanDerWaalsContact CA-O 3.24Å; I124-T145 WeakPolarHBondContact CA-O 3.4Å; I124-T145 WeakPolarHBondContact CB-O 3.37Å; I124-T145 PolarHBondContact O-N 2.62Å; I124-T145 VanDerWaalsContact O-O 3.11Å; V143-T145 HydrophobicContact CG1-CG2 4.15Å; T145-L148 HydrophobicContact CG2-CB 4.45Å; T145-L148 HydrophobicContact CG2-CD1 3.45Å; T145-L148 VanDerWaalsContact CG2-CD1 3.45Å; T145-G162 WeakPolarHBondContact OG1-CA 3.45Å; T145-N163 PolarHBondContact OG1-N 2.88Å; T145-S211 WeakPolarHBondContact CB-OG 3.29Å; T145-S211 PolarHBondContact OG1-OG 3.35Å
146P74.6Confident73.8Confident7 Ų755.8 Ų55.85%0.04530%0.296CS..THydrogen-bonded Turntrans-65.4150.2172.133.6-40.1000109.5L148 A164 M207P146-L148 PolarHBondContact O-N 3.32Å; P146-A164 HydrophobicContact CG-CB 3.95Å; P146-M207 WeakPolarHBondContact CB-O 3.44Å; P146-M207 WeakPolarHBondContact CD-O 3.39Å; P146-M207 WeakPolarHBondContact CG-O 3.48Å
147H66.3Low71.3Confident120 Ų12058.9 Ų58.956%0.55630%0.302SS*.THydrogen-bonded Turntrans50.545165.1-55.5-62.7000115.8L149 V150 N163H147-L149 PolarHBondContact O-N 3.36Å; H147-V150 HydrophobicContact CB-CG2 3.92Å; H147-V150 WeakPolarHBondContact O-CB 3.36Å; H147-V150 PolarHBondContact O-N 3.14Å; H147-N163 PolarHBondContact O-ND2 3.39Å
148L63.9Low68.8Low27 Ų2763.6 Ų63.614%0.14133%0.33CS..G310 helixtrans-54.1-30.8-179.4-164.380.4000112.4N123 T125 R126 T145 P146 V150 L151N123-L148 WeakPolarHBondContact O-CB 3.33Å; N123-L148 PolarHBondContact O-N 3.28Å; T125-L148 WeakPolarHBondContact O-CD2 3.23Å; R126-L148 HydrophobicContact CB-CD1 4Å; R126-L148 HydrophobicContact CB-CD2 3.97Å; T145-L148 HydrophobicContact CG2-CB 4.45Å; T145-L148 HydrophobicContact CG2-CD1 3.45Å; T145-L148 VanDerWaalsContact CG2-CD1 3.45Å; P146-L148 PolarHBondContact O-N 3.32Å; L148-V150 PolarHBondContact O-N 2.93Å; L148-V150 VanDerWaalsContact O-N 3.12Å; L148-L151 HydrophobicContact CD1-CD1 3.95Å; L148-L151 WeakPolarHBondContact O-CB 3.36Å; L148-L151 PolarHBondContact O-N 3.45Å
149L55.2Low66.4Low99 Ų9967.9 Ų67.952%0.51835%0.352SS..G310 helixtrans-57.5-23.4175.7-67.5176.1000114.1N123 H147 L151 L152N123-L149 HydrophobicContact CB-CD1 4.49Å; N123-L149 WeakPolarHBondContact OD1-CD1 3.27Å; H147-L149 PolarHBondContact O-N 3.36Å; L149-L151 VanDerWaalsContact C-N 3.28Å; L149-L151 PolarHBondContact O-N 3.14Å; L149-L152 HydrophobicContact CD2-CD1 3.95Å; L149-L152 PolarHBondContact O-N 3.18Å
150V51.1Low64.3Low47 Ų4770.9 Ų70.929%0.28537%0.365SS..G310 helixtrans-69.4-27.9176176.60000111.4H147 L148 L152 K153 Y156H147-V150 HydrophobicContact CB-CG2 3.92Å; H147-V150 WeakPolarHBondContact O-CB 3.36Å; H147-V150 PolarHBondContact O-N 3.14Å; L148-V150 PolarHBondContact O-N 2.93Å; L148-V150 VanDerWaalsContact O-N 3.12Å; V150-L152 PolarHBondContact O-N 3.06Å; V150-K153 PolarHBondContact O-N 3.28Å; V150-Y156 HydrophobicContact CG1-CE2 3.7Å; V150-Y156 VanDerWaalsContact O-CD2 3.26Å; V150-Y156 WeakPolarHBondContact O-CD2 3.36Å; V150-Y156 WeakPolarHBondContact O-CE2 3.29Å
151L50.6Low62.5Low29 Ų2973.1 Ų73.115%0.15238%0.377CS..G310 helixtrans-74.7-9.6176.8-66.2169.8000113.8L148 L149 K153 Y156 Q160 N163L148-L151 HydrophobicContact CD1-CD1 3.95Å; L148-L151 WeakPolarHBondContact O-CB 3.36Å; L148-L151 PolarHBondContact O-N 3.45Å; L149-L151 VanDerWaalsContact C-N 3.28Å; L149-L151 PolarHBondContact O-N 3.14Å; L151-K153 PolarHBondContact O-N 3.27Å; L151-Y156 HydrophobicContact CD2-CG 4.41Å; L151-Q160 HydrophobicContact CD2-CB 3.79Å; L151-N163 WeakPolarHBondContact CD2-OD1 3.28Å; L151-N163 WeakPolarHBondContact CG-OD1 3.35Å
152L50.5Low60.6Low141 Ų14173.5 Ų73.574%0.73838%0.381SS*.G310 helixtrans-81.9-0.9173.6-65.2174.9000112.7L149 V150L149-L152 HydrophobicContact CD2-CD1 3.95Å; L149-L152 PolarHBondContact O-N 3.18Å; V150-L152 PolarHBondContact O-N 3.06Å
153K45.2Very low58.9Low121 Ų12175.6 Ų75.653%0.52639%0.392SS..SBendtrans-77.5133.8171-68.5-176177.6-179.50109.9V150 L151 C155 Y156V150-K153 PolarHBondContact O-N 3.28Å; L151-K153 PolarHBondContact O-N 3.27Å; K153-C155 PolarHBondContact O-N 2.85Å; K153-Y156 HydrophobicContact CB-CD2 3.93Å; K153-Y156 HydrophobicContact CB-CE2 4.04Å; K153-Y156 HydrophobicContact CD-CE2 4.3Å; K153-Y156 PolarHBondContact O-N 2.93Å
154P47.4Very low57.3Low141 Ų14176.4 Ų76.492%0.91640%0.399SS*.THydrogen-bonded Turntrans-64.1-0.4-172.923.4-32.9000115.6
155C45.6Very low56.2Low100 Ų10082.9 Ų82.968%0.67643%0.434SS*.THydrogen-bonded Turntrans-1075-177.338.80000114.6K153K153-C155 PolarHBondContact O-N 2.85Å
156Y46.1Very low56Low95 Ų9592 Ų9237%0.37347%0.468SS..SBendtrans-98.5131.7168.9-67.6-84.4000110.4V150 L151 K153 L158V150-Y156 HydrophobicContact CG1-CE2 3.7Å; V150-Y156 VanDerWaalsContact O-CD2 3.26Å; V150-Y156 WeakPolarHBondContact O-CD2 3.36Å; V150-Y156 WeakPolarHBondContact O-CE2 3.29Å; L151-Y156 HydrophobicContact CD2-CG 4.41Å; K153-Y156 HydrophobicContact CB-CD2 3.93Å; K153-Y156 HydrophobicContact CB-CE2 4.04Å; K153-Y156 HydrophobicContact CD-CE2 4.3Å; K153-Y156 PolarHBondContact O-N 2.93Å; Y156-L158 PolarHBondContact O-N 2.95Å
157N43.8Very low56.7Low113 Ų11394 Ų9460%0.60449%0.49SS*.  trans-55.3127.6179.4-51.5-7.7000108.2F159 Q160N157-F159 PolarHBondContact O-N 2.93Å; N157-Q160 PolarHBondContact O-N 2.97Å
158L45.8Very low57.9Low158 Ų15890.7 Ų90.783%0.82748%0.478SS*.THydrogen-bonded Turntrans-52.5-12.8177.1-85.6133.4000114.4Y156Y156-L158 PolarHBondContact O-N 2.95Å
159F48.3Very low59.4Low192 Ų19295.2 Ų95.284%0.84249%0.493SS*.THydrogen-bonded Turntrans-85.8-10175.8-64.5-76.7000115.1N157 I161N157-F159 PolarHBondContact O-N 2.93Å; F159-I161 PolarHBondContact O-N 3.01Å
160Q54.2Low61.4Low85 Ų8592.2 Ų92.240%0.39748%0.477SS..  trans-78.6110.1169.4-86.7178.1-4.700109.2L151 N157L151-Q160 HydrophobicContact CD2-CB 3.79Å; N157-Q160 PolarHBondContact O-N 2.97Å
161I59.1Low63.6Low57 Ų5793.2 Ų93.229%0.29248%0.481SS..  trans-90-18.2-177.2-57.2174.6000110.7V128 V143 F159 Y213V128-I161 HydrophobicContact CG2-CG2 3.86Å; V143-I161 HydrophobicContact CB-CG2 4.32Å; V143-I161 HydrophobicContact CG1-CG2 4.12Å; V143-I161 HydrophobicContact CG2-CG2 3.65Å; F159-I161 PolarHBondContact O-N 3.01Å; I161-Y213 HydrophobicContact CB-CE1 3.84Å; I161-Y213 HydrophobicContact CG2-CD1 4.32Å; I161-Y213 HydrophobicContact CG2-CE1 3.59Å
162G56.5Low65.9Low9 Ų992.2 Ų92.29%0.09348%0.477CS..  trans-147.5169172.400000112T145 Y213T145-G162 WeakPolarHBondContact OG1-CA 3.45Å; G162-Y213 PolarHBondContact N-OH 2.83Å
163N58.8Low68.2Low45 Ų4585.6 Ų85.624%0.24144%0.443CS..  trans-106.11.1-176.7-76.2-36000114.1T145 H147 L151T145-N163 PolarHBondContact OG1-N 2.88Å; H147-N163 PolarHBondContact O-ND2 3.39Å; L151-N163 WeakPolarHBondContact CD2-OD1 3.28Å; L151-N163 WeakPolarHBondContact CG-OD1 3.35Å
164A61.4Low70.7Confident19 Ų1984 Ų8416%0.15744%0.439CS..SBendtrans-87.9150.2-177.100000111.4P146 R166 H209 L210 S211P146-A164 HydrophobicContact CG-CB 3.95Å; A164-R166 PolarHBondContact O-N 3.2Å; A164-R166 VanDerWaalsContact O-N 3.08Å; A164-H209 WeakPolarHBondContact CB-O 3.35Å; A164-L210 VanDerWaalsContact CB-N 3.32Å; A164-S211 VanDerWaalsContact CB-OG 3.23Å; A164-S211 WeakPolarHBondContact CB-OG 3.3Å
165D68.9Low73Confident136 Ų13682.4 Ų82.473%0.72742%0.419SS*.SBendtrans-59.5-24-178-62-39.7000112.8H209D165-H209 PolarHBondContact N-O 2.72Å; D165-H209 IonicContact OD2-ND1 3.62Å
166R83.8Confident75.4Confident191 Ų19178.4 Ų78.472%0.72139%0.393SS*.EExtended strand (participates in β ladder)trans-135.9150.2-175.3-60.5179.7-175.6173.31.8111.1A164 H209 L210 S211A164-R166 PolarHBondContact O-N 3.2Å; A164-R166 VanDerWaalsContact O-N 3.08Å; R166-H209 PolarHBondContact N-O 2.92Å; R166-L210 HydrophobicContact CB-CD1 3.66Å; R166-L210 WeakPolarHBondContact O-CA 3.34Å; R166-S211 PolarHBondContact O-N 3.39Å
167G87.5Confident77.7Confident49 Ų4980 Ų8051%0.50540%0.399SS..EExtended strand (participates in β ladder)trans-124.2138.4175.700000111.7S211G167-S211 CarbonylContact C-O 3.57Å; G167-S211 WeakPolarHBondContact CA-O 3.44Å
168V92.8Very high80.1Confident50 Ų5078.7 Ų78.730%0.30339%0.389SS..EExtended strand (participates in β ladder)trans-111123.2168.9177.50000108.5I170 L210 S211 W212 Y213V168-I170 HydrophobicContact CG1-CD1 4.37Å; V168-I170 HydrophobicContact CG1-CG1 4.03Å; V168-L210 HydrophobicContact CG2-CD1 3.82Å; V168-L210 HydrophobicContact CG2-CD2 3.94Å; V168-L210 HydrophobicContact CG2-CG 4.14Å; V168-S211 PolarHBondContact N-O 3.08Å; V168-W212 HydrophobicContact CB-CE3 3.96Å; V168-W212 HydrophobicContact CB-CZ3 4.12Å; V168-W212 HydrophobicContact CG1-CE3 4.07Å; V168-W212 HydrophobicContact CG1-CZ3 3.97Å; V168-W212 HydrophobicContact CG2-CZ3 4.4Å; V168-Y213 PolarHBondContact O-N 3.48Å
169W94.8Very high82.5Confident123 Ų12372 Ų7247%0.46635%0.353SS..EExtended strand (participates in β ladder)trans-96.7131.3173.3175.3-88.6000110.4I130 D171 Y213 L215I130-W169 HydrophobicContact CD1-CH2 4.26Å; W169-D171 HydrophobicContact CZ2-CB 4.15Å; W169-D171 PolarHBondContact NE1-OD2 3.38Å; W169-Y213 CarbonylContact C-O 3.58Å; W169-Y213 WeakPolarHBondContact CA-O 3.24Å; W169-Y213 HydrophobicContact CE3-CG 4.49Å; W169-L215 HydrophobicContact CH2-CB 4.02Å; W169-L215 HydrophobicContact CH2-CD2 4.22Å; W169-L215 HydrophobicContact CZ2-CB 3.98Å; W169-L215 HydrophobicContact CZ2-CD2 4.02Å
170I97.6Very high84.8Confident35 Ų3567.9 Ų67.918%0.17934%0.338CS..EExtended strand (participates in β ladder)trans-132117.4175-55.4178.8000107.7V168 M188 W212 Y213 I214 L215V168-I170 HydrophobicContact CG1-CD1 4.37Å; V168-I170 HydrophobicContact CG1-CG1 4.03Å; I170-M188 HydrophobicContact CD1-CE 4.43Å; I170-M188 HydrophobicContact CD1-SD 4.12Å; I170-M188 HydrophobicContact CG2-CE 3.77Å; I170-W212 HydrophobicContact CD1-CE3 4.2Å; I170-W212 HydrophobicContact CD1-CZ3 4.29Å; I170-Y213 PolarHBondContact N-O 2.81Å; I170-I214 HydrophobicContact CB-CG1 4.32Å; I170-I214 HydrophobicContact CB-CG2 4.43Å; I170-I214 HydrophobicContact CD1-CG1 4.44Å; I170-I214 CarbonylContact O-C 3.47Å; I170-I214 VanDerWaalsContact O-CA 3.29Å; I170-I214 WeakPolarHBondContact O-CA 3.44Å; I170-L215 PolarHBondContact O-N 2.86Å
171D97.7Very high86.8Confident68 Ų6865.3 Ų65.336%0.36433%0.33SS..EExtended strand (participates in β ladder)trans-112.5157.7165.963.893000111.4W169 L215W169-D171 HydrophobicContact CZ2-CB 4.15Å; W169-D171 PolarHBondContact NE1-OD2 3.38Å; D171-L215 WeakPolarHBondContact CA-O 3.24Å; D171-L215 HydrophobicContact CB-CB 4.28Å; D171-L215 HydrophobicContact CB-CD2 4.48Å
172A98.5Very high88.7Confident8 Ų862.6 Ų62.67%0.06632%0.316CS..  trans-144.5161.3177.200000111.4I174 S181 A185 L215 P216 L218A172-I174 PolarHBondContact O-N 3.34Å; A172-S181 VanDerWaalsContact CB-O 3.3Å; A172-S181 WeakPolarHBondContact CB-O 3.48Å; A172-A185 HydrophobicContact CB-CB 3.56Å; A172-L215 PolarHBondContact N-O 2.79Å; A172-P216 WeakPolarHBondContact CB-O 3.26Å; A172-L218 PolarHBondContact O-N 2.87Å
173G97.8Very high90.6Very high2 Ų262.8 Ų62.82%0.02132%0.316CS..  trans64.736.317600000113.8H175 S181 N219G173-H175 VanDerWaalsContact C-N 3.31Å; G173-S181 PolarHBondContact N-OG 3.43Å; G173-N219 WeakPolarHBondContact O-CB 3.38Å; G173-N219 PolarHBondContact O-N 2.94Å
174I97.9Very high92.4Very high89 Ų8963 Ų6346%0.45632%0.321SS..SBendtrans-62.1-43.9167.8-170.9166.3000110.5A172 L218 N219A172-I174 PolarHBondContact O-N 3.34Å; I174-L218 HydrophobicContact CB-CD2 3.82Å; I174-L218 HydrophobicContact CD1-CD2 3.84Å; I174-L218 HydrophobicContact CG1-CD2 3.76Å; I174-N219 VanDerWaalsContact O-CB 3.27Å; I174-N219 WeakPolarHBondContact O-CB 3.39Å; I174-N219 PolarHBondContact O-ND2 2.87Å
175H96.6Very high94.2Very high106 Ų10662.1 Ų62.149%0.49131%0.314SS..SBendtrans-95115.6168.4-57.5141.9000109.5G173 R177 E178G173-H175 VanDerWaalsContact C-N 3.31Å; H175-R177 PolarHBondContact O-N 2.81Å; H175-R177 VanDerWaalsContact O-N 3.07Å; H175-E178 HydrophobicContact CB-CG 3.99Å; H175-E178 WeakPolarHBondContact CB-OE1 3.19Å; H175-E178 IonicContact CE1-OE1 3.87Å; H175-E178 IonicContact CG-OE1 3.78Å; H175-E178 IonicContact ND1-OE1 3.1Å; H175-E178 PolarHBondContact ND1-OE1 3.45Å; H175-E178 IonicContact ND1-OE2 2.62Å; H175-E178 PolarHBondContact O-N 2.98Å
176A95.7Very high95.5Very high16 Ų1655.8 Ų55.813%0.13228%0.28CS..THydrogen-bonded Turntrans-52.4-35.2-174.100000115.2E178 W179 G222 T226A176-E178 VanDerWaalsContact C-N 3.3Å; A176-E178 PolarHBondContact O-N 3.18Å; A176-W179 PolarHBondContact O-NE1 2.99Å; A176-G222 VanDerWaalsContact CB-O 3.27Å; A176-G222 WeakPolarHBondContact CB-O 3.44Å; A176-T226 HydrophobicContact CB-CG2 3.7Å; A176-T226 PolarHBondContact O-OG1 3.29Å
177R94.2Very high96.2Very high129 Ų12952.1 Ų52.149%0.48727%0.267SS..THydrogen-bonded Turntrans-77.4-10.7-176.766.4-177.9177.8-172.30.3114.3D27 F28 H175 W179D27-R177 VanDerWaalsContact CG-NH1 3.33Å; D27-R177 IonicContact OD1-CZ 2.93Å; D27-R177 IonicContact OD1-NH1 2.66Å; D27-R177 PolarHBondContact OD1-NH1 2.81Å; D27-R177 IonicContact OD1-NH2 3.11Å; D27-R177 IonicContact OD2-NH1 3.5Å; D27-R177 PolarHBondContact OD2-NH1 2.86Å; D27-R177 VanDerWaalsContact OD2-NH1 3.15Å; F28-R177 PolarHBondContact O-NH2 2.86Å; H175-R177 PolarHBondContact O-N 2.81Å; H175-R177 VanDerWaalsContact O-N 3.07Å; R177-W179 PolarHBondContact O-N 3.48Å
178E94.8Very high96.6Very high85 Ų8553.1 Ų53.140%0.39726%0.259SS..  trans-87.857.3-178.2-63.7174.8-164.300110.8H175 A176 I180 S181H175-E178 HydrophobicContact CB-CG 3.99Å; H175-E178 WeakPolarHBondContact CB-OE1 3.19Å; H175-E178 IonicContact CE1-OE1 3.87Å; H175-E178 IonicContact CG-OE1 3.78Å; H175-E178 IonicContact ND1-OE1 3.1Å; H175-E178 PolarHBondContact ND1-OE1 3.45Å; H175-E178 IonicContact ND1-OE2 2.62Å; H175-E178 PolarHBondContact O-N 2.98Å; A176-E178 VanDerWaalsContact C-N 3.3Å; A176-E178 PolarHBondContact O-N 3.18Å; E178-I180 PolarHBondContact O-N 3.1Å; E178-S181 WeakPolarHBondContact O-CB 3.19Å; E178-S181 PolarHBondContact O-N 2.92Å; E178-S181 PolarHBondContact O-OG 3.37Å
179W95.1Very high96.8Very high18 Ų1850.8 Ų50.87%0.06825%0.245CC..Hα-helixtrans-55.8-30.9-170.8-69.410.7000114H77 L81 Y104 A176 R177 S181 V182 S183 Y223 T226 R227H77-W179 AromaticContact CE1-CE3 3.69Å; H77-W179 AromaticContact CE1-CH2 3.69Å; H77-W179 AromaticContact CE1-CZ3 3.18Å; H77-W179 WeakPolarHBondContact CE1-CZ3 3.28Å; H77-W179 AromaticContact NE2-CH2 3.14Å; H77-W179 WeakPolarHBondContact NE2-CH2 2.8Å; H77-W179 AromaticContact NE2-CZ3 3.15Å; H77-W179 WeakPolarHBondContact NE2-CZ3 3.15Å; L81-W179 HydrophobicContact CD1-CH2 3.87Å; L81-W179 HydrophobicContact CD1-CZ3 4.24Å; L81-W179 HydrophobicContact CD2-CH2 4.15Å; L81-W179 HydrophobicContact CD2-CZ3 3.96Å; L81-W179 HydrophobicContact CG-CZ3 4.46Å; Y104-W179 HydrophobicContact CD1-CB 3.55Å; Y104-W179 AromaticContact CD1-CE3 4Å; Y104-W179 HydrophobicContact CD1-CE3 4Å; Y104-W179 HydrophobicContact CD1-CG 4.43Å; Y104-W179 AromaticContact CD2-CE3 3.68Å; Y104-W179 HydrophobicContact CD2-CE3 3.68Å; Y104-W179 HydrophobicContact CD2-CZ3 4.2Å; Y104-W179 HydrophobicContact CE1-CB 3.54Å; Y104-W179 HydrophobicContact CE2-CE3 4.3Å; Y104-W179 HydrophobicContact CG-CB 4.27Å; Y104-W179 HydrophobicContact CG-CD2 4.42Å; Y104-W179 AromaticContact CG-CE3 3.5Å; Y104-W179 HydrophobicContact CG-CE3 3.5Å; Y104-W179 HydrophobicContact CG-CZ3 4.23Å; A176-W179 PolarHBondContact O-NE1 2.99Å; R177-W179 PolarHBondContact O-N 3.48Å; W179-S181 PolarHBondContact O-N 3.37Å; W179-V182 PolarHBondContact O-N 3.12Å; W179-S183 PolarHBondContact O-N 2.95Å; W179-Y223 HydrophobicContact CB-CE2 4.34Å; W179-Y223 AromaticContact CD1-CD2 3.86Å; W179-Y223 AromaticContact CD1-CE2 3.56Å; W179-Y223 HydrophobicContact CD2-CE2 4.25Å; W179-Y223 AromaticContact CG-CE2 3.83Å; W179-Y223 HydrophobicContact CG-CE2 3.83Å; W179-Y223 AromaticContact NE1-CD2 3.96Å; W179-Y223 AromaticContact NE1-CE2 3.82Å; W179-T226 PolarHBondContact NE1-OG1 3.01Å; W179-R227 HydrophobicContact CH2-CB 4.27Å; W179-R227 HydrophobicContact CH2-CG 3.56Å; W179-R227 HydrophobicContact CZ2-CB 4.09Å; W179-R227 HydrophobicContact CZ2-CG 3.29Å; W179-R227 HydrophobicContact CZ3-CG 4.37Å
180I96.2Very high96.9Very high105 Ų10545 Ų4554%0.53822%0.223SC..Hα-helixtrans-60.9-31.9177.6-168.458.6000112.4E178 S184E178-I180 PolarHBondContact O-N 3.1Å; I180-S184 VanDerWaalsContact O-CB 3.23Å; I180-S184 WeakPolarHBondContact O-CB 3.25Å; I180-S184 PolarHBondContact O-N 3.37Å; I180-S184 PolarHBondContact O-OG 3.37Å
181S97.8Very high96.8Very high31 Ų3146.8 Ų46.822%0.21723%0.231CC..Hα-helixtrans-64.1-45.9176.167.90000110.9A172 G173 E178 W179 S184 A185A172-S181 VanDerWaalsContact CB-O 3.3Å; A172-S181 WeakPolarHBondContact CB-O 3.48Å; G173-S181 PolarHBondContact N-OG 3.43Å; E178-S181 WeakPolarHBondContact O-CB 3.19Å; E178-S181 PolarHBondContact O-N 2.92Å; E178-S181 PolarHBondContact O-OG 3.37Å; W179-S181 PolarHBondContact O-N 3.37Å; S181-S184 PolarHBondContact O-N 2.95Å; S181-A185 PolarHBondContact O-N 3.15Å
182V97.9Very high96.7Very high1 Ų144 Ų441%0.00622%0.216CC..Hα-helixtrans-60.7-52.7177.7175.70000110.3I110 W179 S184 A185 V186 I217 Y223I110-V182 HydrophobicContact CD1-CG1 3.47Å; I110-V182 VanDerWaalsContact CD1-CG1 3.47Å; W179-V182 PolarHBondContact O-N 3.12Å; V182-S184 VanDerWaalsContact C-N 3.28Å; V182-S184 PolarHBondContact O-N 3.23Å; V182-A185 PolarHBondContact O-N 2.91Å; V182-V186 WeakPolarHBondContact O-CG2 3.43Å; V182-V186 PolarHBondContact O-N 3.42Å; V182-I217 HydrophobicContact CG1-CD1 4.26Å; V182-I217 HydrophobicContact CG1-CG1 3.76Å; V182-I217 HydrophobicContact CG2-CG1 4.47Å; V182-Y223 HydrophobicContact CB-CE2 4.28Å; V182-Y223 HydrophobicContact CG1-CE1 4.39Å; V182-Y223 HydrophobicContact CG1-CE2 4.38Å; V182-Y223 HydrophobicContact CG2-CD2 4.12Å; V182-Y223 HydrophobicContact CG2-CE2 4.03Å
183S96.4Very high96.6Very high13 Ų1343.7 Ų43.79%0.09121%0.213CC..Hα-helixtrans-60.8-37178-72.60000112.3E103 Y104 W179 V186 Y187E103-S183 PolarHBondContact O-OG 3.3Å; E103-S183 VanDerWaalsContact O-OG 3.06Å; Y104-S183 WeakPolarHBondContact CD1-OG 3.24Å; W179-S183 PolarHBondContact O-N 2.95Å; S183-V186 PolarHBondContact O-N 3.35Å; S183-Y187 WeakPolarHBondContact O-CB 3.36Å; S183-Y187 PolarHBondContact O-N 3.1Å
184S98Very high96.4Very high50 Ų5045.2 Ų45.235%0.3522%0.222SC..Hα-helixtrans-65.8-41.8177-59.80000112.1I180 S181 V182 Y187 M188I180-S184 VanDerWaalsContact O-CB 3.23Å; I180-S184 WeakPolarHBondContact O-CB 3.25Å; I180-S184 PolarHBondContact O-N 3.37Å; I180-S184 PolarHBondContact O-OG 3.37Å; S181-S184 PolarHBondContact O-N 2.95Å; V182-S184 VanDerWaalsContact C-N 3.28Å; V182-S184 PolarHBondContact O-N 3.23Å; S184-Y187 PolarHBondContact O-N 3.04Å; S184-M188 WeakPolarHBondContact O-CG 3.46Å; S184-M188 PolarHBondContact O-N 3.25Å
185A98.2Very high96.3Very high0 Ų041.9 Ų41.90%021%0.205CC..Hα-helixtrans-64.2-40.6175.500000112.3A172 S181 V182 M188 I189 I214 P216A172-A185 HydrophobicContact CB-CB 3.56Å; S181-A185 PolarHBondContact O-N 3.15Å; V182-A185 PolarHBondContact O-N 2.91Å; A185-M188 HydrophobicContact CB-CE 4.35Å; A185-M188 PolarHBondContact O-N 2.9Å; A185-I189 WeakPolarHBondContact O-CG1 3.28Å; A185-I189 PolarHBondContact O-N 2.68Å; A185-I189 VanDerWaalsContact O-N 3.14Å; A185-I214 HydrophobicContact CB-CG2 4.26Å; A185-P216 HydrophobicContact CB-CB 4.22Å
186V97.2Very high96.2Very high2 Ų239.9 Ų39.91%0.01219%0.194CC..Hα-helixtrans-64-43.7174.7177.70000111F99 Y101 I110 L113 V182 S183 M188 I189 G190 P216F99-V186 HydrophobicContact CD1-CG1 4.17Å; F99-V186 HydrophobicContact CE1-CG1 3.62Å; F99-V186 HydrophobicContact CZ-CG1 4.42Å; Y101-V186 HydrophobicContact CD1-CG1 3.84Å; Y101-V186 HydrophobicContact CE1-CG1 3.92Å; Y101-V186 VanDerWaalsContact CE1-O 3.27Å; Y101-V186 WeakPolarHBondContact CE1-O 3.37Å; I110-V186 HydrophobicContact CD1-CG2 3.88Å; I110-V186 HydrophobicContact CG1-CG2 3.91Å; I110-V186 HydrophobicContact CG2-CG2 3.93Å; L113-V186 HydrophobicContact CD2-CG1 3.53Å; V182-V186 WeakPolarHBondContact O-CG2 3.43Å; V182-V186 PolarHBondContact O-N 3.42Å; S183-V186 PolarHBondContact O-N 3.35Å; V186-M188 PolarHBondContact O-N 2.78Å; V186-I189 WeakPolarHBondContact O-CB 3.5Å; V186-I189 PolarHBondContact O-N 2.57Å; V186-G190 PolarHBondContact O-N 3.46Å; V186-P216 HydrophobicContact CG2-CB 3.9Å; V186-P216 HydrophobicContact CG2-CG 4.5Å
187Y97.2Very high96.1Very high115 Ų11544.5 Ų44.545%0.45121%0.211SC..Hα-helixtrans-60.5-43.9174.5-175.8-94.1000112.1S183 S184 I189 G190 Q191S183-Y187 WeakPolarHBondContact O-CB 3.36Å; S183-Y187 PolarHBondContact O-N 3.1Å; S184-Y187 PolarHBondContact O-N 3.04Å; Y187-I189 VanDerWaalsContact C-N 3.3Å; Y187-I189 PolarHBondContact O-N 2.99Å; Y187-G190 PolarHBondContact O-N 3.45Å; Y187-G190 VanDerWaalsContact O-N 3.11Å; Y187-Q191 HydrophobicContact CD1-CG 3.65Å; Y187-Q191 HydrophobicContact CE1-CG 3.21Å; Y187-Q191 HydrophobicContact CE2-CG 4.4Å; Y187-Q191 HydrophobicContact CG-CG 4.4Å; Y187-Q191 WeakPolarHBondContact O-CG 3.47Å; Y187-Q191 PolarHBondContact O-N 3.35Å; Y187-Q191 PolarHBondContact OH-NE2 2.88Å
188M97.1Very high96.1Very high70 Ų7043.2 Ų43.235%0.34521%0.21SC..Hα-helixtrans-58.2-40.5176.4-77.5-173.1-74.800112.2I170 S184 A185 V186 Q191 I192I170-M188 HydrophobicContact CD1-CE 4.43Å; I170-M188 HydrophobicContact CD1-SD 4.12Å; I170-M188 HydrophobicContact CG2-CE 3.77Å; S184-M188 WeakPolarHBondContact O-CG 3.46Å; S184-M188 PolarHBondContact O-N 3.25Å; A185-M188 HydrophobicContact CB-CE 4.35Å; A185-M188 PolarHBondContact O-N 2.9Å; V186-M188 PolarHBondContact O-N 2.78Å; M188-Q191 PolarHBondContact O-N 2.64Å; M188-I192 WeakPolarHBondContact O-CB 3.43Å; M188-I192 WeakPolarHBondContact O-CD1 3.25Å; M188-I192 VanDerWaalsContact O-CG1 3.27Å; M188-I192 WeakPolarHBondContact O-CG1 3.37Å; M188-I192 PolarHBondContact O-N 3.45Å
189I96.9Very high96Very high0 Ų042.8 Ų42.80%021%0.211CC..Hα-helixtrans-59.8-49.1174.1-67161.4000110.4L114 V117 V142 A185 V186 Y187 Q191 I192 L193 I214 P216L114-I189 HydrophobicContact CD2-CD1 3.76Å; V117-I189 HydrophobicContact CG2-CG2 4.47Å; V142-I189 HydrophobicContact CG1-CD1 3.52Å; V142-I189 HydrophobicContact CG1-CG1 3.76Å; V142-I189 HydrophobicContact CG1-CG2 4.4Å; A185-I189 WeakPolarHBondContact O-CG1 3.28Å; A185-I189 PolarHBondContact O-N 2.68Å; A185-I189 VanDerWaalsContact O-N 3.14Å; V186-I189 WeakPolarHBondContact O-CB 3.5Å; V186-I189 PolarHBondContact O-N 2.57Å; Y187-I189 VanDerWaalsContact C-N 3.3Å; Y187-I189 PolarHBondContact O-N 2.99Å; I189-Q191 PolarHBondContact O-N 3.07Å; I189-I192 PolarHBondContact O-N 3Å; I189-L193 HydrophobicContact CG2-CD1 3.93Å; I189-L193 VanDerWaalsContact O-CG 3.26Å; I189-L193 WeakPolarHBondContact O-CG 3.2Å; I189-L193 PolarHBondContact O-N 2.95Å; I189-L193 VanDerWaalsContact O-N 3.14Å; I189-I214 HydrophobicContact CD1-CB 4.24Å; I189-I214 HydrophobicContact CD1-CG2 3.83Å; I189-I214 HydrophobicContact CG1-CB 4.1Å; I189-I214 HydrophobicContact CG1-CD1 3.72Å; I189-I214 HydrophobicContact CG1-CG1 4.49Å; I189-I214 HydrophobicContact CG1-CG2 3.88Å; I189-P216 HydrophobicContact CD1-CG 3.57Å
190G96Very high96Very high2 Ų246.8 Ų46.82%0.02123%0.229CC..Hα-helixtrans-57.6-46.2176.900000112.5Y101 V186 Y187 L193 T194Y101-G190 WeakPolarHBondContact OH-CA 3.3Å; V186-G190 PolarHBondContact O-N 3.46Å; Y187-G190 PolarHBondContact O-N 3.45Å; Y187-G190 VanDerWaalsContact O-N 3.11Å; G190-L193 PolarHBondContact O-N 3.43Å; G190-T194 WeakPolarHBondContact O-CB 3.11Å; G190-T194 PolarHBondContact O-N 2.83Å; G190-T194 PolarHBondContact O-OG1 3.46Å; G190-T194 VanDerWaalsContact O-OG1 3.1Å
191Q96Very high95.8Very high72 Ų7248.3 Ų48.334%0.33624%0.238SC..Hα-helixtrans-63.1-45.1178.7-70.6-64.8-75.700112.9Y187 M188 I189 L193 T194 D195Y187-Q191 HydrophobicContact CD1-CG 3.65Å; Y187-Q191 HydrophobicContact CE1-CG 3.21Å; Y187-Q191 HydrophobicContact CE2-CG 4.4Å; Y187-Q191 HydrophobicContact CG-CG 4.4Å; Y187-Q191 WeakPolarHBondContact O-CG 3.47Å; Y187-Q191 PolarHBondContact O-N 3.35Å; Y187-Q191 PolarHBondContact OH-NE2 2.88Å; M188-Q191 PolarHBondContact O-N 2.64Å; I189-Q191 PolarHBondContact O-N 3.07Å; Q191-L193 VanDerWaalsContact C-N 3.27Å; Q191-L193 PolarHBondContact O-N 3.26Å; Q191-T194 PolarHBondContact O-N 2.84Å; Q191-D195 WeakPolarHBondContact O-CB 3.39Å; Q191-D195 PolarHBondContact O-N 3.35Å
192I95.5Very high95.6Very high11 Ų1148.4 Ų48.46%0.05624%0.244CC..Hα-helixtrans-58.1-43.4177.4-71.2163.4000110.4V144 M188 I189 Y196 M203 M207 W212 I214V144-I192 HydrophobicContact CB-CG2 4.39Å; V144-I192 HydrophobicContact CG1-CG2 3.85Å; M188-I192 WeakPolarHBondContact O-CB 3.43Å; M188-I192 WeakPolarHBondContact O-CD1 3.25Å; M188-I192 VanDerWaalsContact O-CG1 3.27Å; M188-I192 WeakPolarHBondContact O-CG1 3.37Å; M188-I192 PolarHBondContact O-N 3.45Å; I189-I192 PolarHBondContact O-N 3Å; I192-Y196 VanDerWaalsContact O-CB 3.23Å; I192-Y196 WeakPolarHBondContact O-CB 3.41Å; I192-Y196 PolarHBondContact O-N 3.29Å; I192-M203 HydrophobicContact CB-CE 4.44Å; I192-M203 HydrophobicContact CG1-CE 4.1Å; I192-M203 HydrophobicContact CG2-SD 4.1Å; I192-M207 HydrophobicContact CG2-SD 4.22Å; I192-W212 HydrophobicContact CD1-CB 4.3Å; I192-W212 HydrophobicContact CD1-CD2 3.85Å; I192-W212 HydrophobicContact CD1-CE3 4.21Å; I192-W212 HydrophobicContact CD1-CG 3.89Å; I192-I214 HydrophobicContact CD1-CD1 3.6Å
193L95.1Very high95.3Very high0 Ų049.1 Ų49.10%025%0.248CC..Hα-helixtrans-70.7-41.4180-63.8170.6000112.5W96 V117 F121 I124 T125 I189 G190 Q191 Y196 K197W96-L193 HydrophobicContact CD2-CD1 4.4Å; W96-L193 HydrophobicContact CE3-CB 3.98Å; W96-L193 HydrophobicContact CE3-CD1 4.06Å; W96-L193 HydrophobicContact CH2-CB 3.97Å; W96-L193 HydrophobicContact CZ3-CB 3.6Å; V117-L193 HydrophobicContact CB-CD1 4.16Å; V117-L193 HydrophobicContact CG1-CD1 3.52Å; V117-L193 HydrophobicContact CG1-CD2 4.27Å; V117-L193 HydrophobicContact CG1-CG 4.5Å; V117-L193 HydrophobicContact CG2-CD1 3.55Å; F121-L193 HydrophobicContact CD2-CD1 4.3Å; F121-L193 HydrophobicContact CD2-CD2 3.83Å; F121-L193 HydrophobicContact CE2-CB 4.14Å; F121-L193 HydrophobicContact CE2-CD1 4.12Å; F121-L193 HydrophobicContact CE2-CD2 4Å; F121-L193 HydrophobicContact CE2-CG 4.31Å; F121-L193 HydrophobicContact CG-CD2 4.14Å; F121-L193 HydrophobicContact CZ-CB 4.29Å; F121-L193 HydrophobicContact CZ-CD2 4.48Å; I124-L193 HydrophobicContact CD1-CD2 4.24Å; T125-L193 HydrophobicContact CG2-CD2 4Å; I189-L193 HydrophobicContact CG2-CD1 3.93Å; I189-L193 VanDerWaalsContact O-CG 3.26Å; I189-L193 WeakPolarHBondContact O-CG 3.2Å; I189-L193 PolarHBondContact O-N 2.95Å; I189-L193 VanDerWaalsContact O-N 3.14Å; G190-L193 PolarHBondContact O-N 3.43Å; Q191-L193 VanDerWaalsContact C-N 3.27Å; Q191-L193 PolarHBondContact O-N 3.26Å; L193-Y196 PolarHBondContact O-N 2.84Å; L193-K197 VanDerWaalsContact O-CB 3.28Å; L193-K197 WeakPolarHBondContact O-CB 2.95Å; L193-K197 PolarHBondContact O-N 2.99Å
194T95.4Very high95.1Very high35 Ų3553.1 Ų53.122%0.21526%0.261CS..Hα-helixtrans-60.9-51.6174.7-65.90000110.7W96 G190 Q191 Y196 K197 E198W96-T194 WeakPolarHBondContact CZ3-OG1 3.44Å; G190-T194 WeakPolarHBondContact O-CB 3.11Å; G190-T194 PolarHBondContact O-N 2.83Å; G190-T194 PolarHBondContact O-OG1 3.46Å; G190-T194 VanDerWaalsContact O-OG1 3.1Å; Q191-T194 PolarHBondContact O-N 2.84Å; T194-Y196 VanDerWaalsContact C-N 3.3Å; T194-Y196 PolarHBondContact O-N 2.86Å; T194-K197 PolarHBondContact O-N 3.01Å; T194-E198 HydrophobicContact CG2-CG 4.39Å; T194-E198 WeakPolarHBondContact O-CB 2.93Å; T194-E198 WeakPolarHBondContact O-CG 3.38Å; T194-E198 PolarHBondContact O-N 2.88Å
195D95.5Very high94.7Very high18 Ų1855.8 Ų55.810%0.09627%0.267CS..Hα-helixtrans-64-36.3-179.6-75.5-5.7000111.7Q191 D199 K200 N201 M203Q191-D195 WeakPolarHBondContact O-CB 3.39Å; Q191-D195 PolarHBondContact O-N 3.35Å; D195-D199 WeakPolarHBondContact O-CA 3.49Å; D195-D199 PolarHBondContact O-N 2.86Å; D195-K200 HydrophobicContact CB-CB 4.42Å; D195-K200 PolarHBondContact O-N 3.42Å; D195-N201 VanDerWaalsContact CG-ND2 3.33Å; D195-N201 PolarHBondContact OD1-ND2 3.17Å; D195-N201 PolarHBondContact OD2-ND2 2.94Å; D195-M203 HydrophobicContact CB-CB 3.62Å; D195-M203 HydrophobicContact CB-CE 4.04Å; D195-M203 HydrophobicContact CB-CG 3.88Å
196Y93.7Very high94.3Very high65 Ų6559.4 Ų59.426%0.25529%0.287SS..Hα-helixtrans-65.2-46.9173.5-179.7-91.6000112.2I124 I192 L193 T194 D199 R204 M207I124-Y196 HydrophobicContact CD1-CD1 3.53Å; I124-Y196 HydrophobicContact CD1-CD2 4.38Å; I124-Y196 HydrophobicContact CD1-CE1 3.6Å; I124-Y196 HydrophobicContact CD1-CE2 4.43Å; I124-Y196 HydrophobicContact CD1-CG 3.95Å; I124-Y196 HydrophobicContact CG1-CE1 4.39Å; I124-Y196 HydrophobicContact CG2-CE1 4.21Å; I124-Y196 HydrophobicContact CG2-CE2 4.27Å; I124-Y196 WeakPolarHBondContact CG2-OH 3.25Å; I192-Y196 VanDerWaalsContact O-CB 3.23Å; I192-Y196 WeakPolarHBondContact O-CB 3.41Å; I192-Y196 PolarHBondContact O-N 3.29Å; L193-Y196 PolarHBondContact O-N 2.84Å; T194-Y196 VanDerWaalsContact C-N 3.3Å; T194-Y196 PolarHBondContact O-N 2.86Å; Y196-D199 PolarHBondContact O-N 2.96Å; Y196-R204 HydrophobicContact CD2-CG 3.87Å; Y196-R204 HydrophobicContact CE2-CG 4Å; Y196-R204 PolarHBondContact O-NE 3.26Å; Y196-R204 PolarHBondContact O-NH2 3.08Å; Y196-M207 HydrophobicContact CD2-CE 3.67Å; Y196-M207 HydrophobicContact CD2-SD 3.44Å; Y196-M207 WeakPolarHBondContact CD2-SD 3.33Å; Y196-M207 HydrophobicContact CE2-CE 3.87Å; Y196-M207 HydrophobicContact CE2-SD 4.19Å; Y196-M207 HydrophobicContact CG-CE 4.38Å; Y196-M207 HydrophobicContact CG-SD 4.09Å
197K93Very high94Very high113 Ų11359.4 Ų59.449%0.49129%0.286SS..Hα-helixtrans-64.5-42.7-179.1-177.3176.3174.6-1750111.2W96 F121 L193 T194 R204W96-K197 HydrophobicContact CH2-CD 4.37Å; W96-K197 HydrophobicContact CZ2-CD 3.82Å; F121-K197 HydrophobicContact CZ-CD 4.47Å; L193-K197 VanDerWaalsContact O-CB 3.28Å; L193-K197 WeakPolarHBondContact O-CB 2.95Å; L193-K197 PolarHBondContact O-N 2.99Å; T194-K197 PolarHBondContact O-N 3.01Å; K197-R204 PolarHBondContact O-NH2 2.83Å
198E94.8Very high93.4Very high101 Ų10157.7 Ų57.747%0.47229%0.285SS..Hα-helixtrans-89-2.5-176.4-61-175.216200114.1T194 K200T194-E198 HydrophobicContact CG2-CG 4.39Å; T194-E198 WeakPolarHBondContact O-CB 2.93Å; T194-E198 WeakPolarHBondContact O-CG 3.38Å; T194-E198 PolarHBondContact O-N 2.88Å; E198-K200 VanDerWaalsContact C-N 3.3Å; E198-K200 HydrophobicContact CB-CD 3.98Å; E198-K200 HydrophobicContact CB-CG 3.91Å; E198-K200 PolarHBondContact O-N 3.43Å; E198-K200 VanDerWaalsContact OE2-CD 3.27Å; E198-K200 WeakPolarHBondContact OE2-CD 3.32Å; E198-K200 WeakPolarHBondContact OE2-CE 3.46Å; E198-K200 IonicContact OE2-NZ 3.35Å; E198-K200 PolarHBondContact OE2-NZ 3.26Å
199D92.5Very high92.9Very high76 Ų7659.7 Ų59.741%0.40629%0.293SS..THydrogen-bonded Turntrans55.343.1-176.2-15920000112.9D195 Y196 R204D195-D199 WeakPolarHBondContact O-CA 3.49Å; D195-D199 PolarHBondContact O-N 2.86Å; Y196-D199 PolarHBondContact O-N 2.96Å; D199-R204 VanDerWaalsContact OD1-CD 3.29Å; D199-R204 WeakPolarHBondContact OD1-CD 3.23Å; D199-R204 WeakPolarHBondContact OD1-CG 3.48Å; D199-R204 IonicContact OD1-NE 2.64Å; D199-R204 IonicContact OD2-NH1 3.45Å
200K94.7Very high92.5Very high102 Ų10260.8 Ų60.844%0.44330%0.299SS..  trans-99.7157.7-179-71-178.4177.7170.10111.6D195 E198 G202 M203D195-K200 HydrophobicContact CB-CB 4.42Å; D195-K200 PolarHBondContact O-N 3.42Å; E198-K200 VanDerWaalsContact C-N 3.3Å; E198-K200 HydrophobicContact CB-CD 3.98Å; E198-K200 HydrophobicContact CB-CG 3.91Å; E198-K200 PolarHBondContact O-N 3.43Å; E198-K200 VanDerWaalsContact OE2-CD 3.27Å; E198-K200 WeakPolarHBondContact OE2-CD 3.32Å; E198-K200 WeakPolarHBondContact OE2-CE 3.46Å; E198-K200 IonicContact OE2-NZ 3.35Å; E198-K200 PolarHBondContact OE2-NZ 3.26Å; K200-G202 PolarHBondContact O-N 2.83Å; K200-M203 WeakPolarHBondContact O-CB 3.23Å; K200-M203 PolarHBondContact O-N 2.95Å
201N93.1Very high92.2Very high137 Ų13760.7 Ų60.773%0.73330%0.298SS*.THydrogen-bonded Turntrans55.119.4172.8-56.8-38.5000115.3D195 M203D195-N201 VanDerWaalsContact CG-ND2 3.33Å; D195-N201 PolarHBondContact OD1-ND2 3.17Å; D195-N201 PolarHBondContact OD2-ND2 2.94Å; N201-M203 VanDerWaalsContact C-N 3.25Å; N201-M203 PolarHBondContact O-N 3.28Å
202G92.7Very high92.1Very high33 Ų3359.2 Ų59.234%0.3429%0.289SS..THydrogen-bonded Turntrans6919.9-175.300000114.1K200 R204 Q205 L206K200-G202 PolarHBondContact O-N 2.83Å; G202-R204 VanDerWaalsContact C-N 3.32Å; G202-R204 PolarHBondContact O-N 3.37Å; G202-Q205 PolarHBondContact O-N 3.12Å; G202-Q205 PolarHBondContact O-OE1 3.11Å; G202-L206 WeakPolarHBondContact O-CB 3.48Å; G202-L206 PolarHBondContact O-N 3.21Å
203M93.3Very high92Very high17 Ų1761.1 Ų61.18%0.08430%0.296CS..Hα-helixtrans-62.3-36.3-171.8-178.160.467.500112.8I192 D195 K200 N201 L206 M207I192-M203 HydrophobicContact CB-CE 4.44Å; I192-M203 HydrophobicContact CG1-CE 4.1Å; I192-M203 HydrophobicContact CG2-SD 4.1Å; D195-M203 HydrophobicContact CB-CB 3.62Å; D195-M203 HydrophobicContact CB-CE 4.04Å; D195-M203 HydrophobicContact CB-CG 3.88Å; K200-M203 WeakPolarHBondContact O-CB 3.23Å; K200-M203 PolarHBondContact O-N 2.95Å; N201-M203 VanDerWaalsContact C-N 3.25Å; N201-M203 PolarHBondContact O-N 3.28Å; M203-L206 PolarHBondContact O-N 2.97Å; M203-M207 HydrophobicContact CG-CG 4.43Å; M203-M207 HydrophobicContact CG-SD 4.03Å; M203-M207 VanDerWaalsContact O-CB 3.3Å; M203-M207 WeakPolarHBondContact O-CB 3.37Å; M203-M207 VanDerWaalsContact O-CG 3.28Å; M203-M207 WeakPolarHBondContact O-CG 3.43Å; M203-M207 PolarHBondContact O-N 2.93Å; M203-M207 HydrophobicContact SD-CG 4.04Å; M203-M207 HydrophobicContact SD-SD 4.08Å
204R90.9Very high92.2Very high97 Ų9761.1 Ų61.137%0.36630%0.296SS..Hα-helixtrans-64.9-50.2176.1-66.3-170.6-178.2167.30.8111.5Y196 K197 D199 G202 L206 M207 D208Y196-R204 HydrophobicContact CD2-CG 3.87Å; Y196-R204 HydrophobicContact CE2-CG 4Å; Y196-R204 PolarHBondContact O-NE 3.26Å; Y196-R204 PolarHBondContact O-NH2 3.08Å; K197-R204 PolarHBondContact O-NH2 2.83Å; D199-R204 VanDerWaalsContact OD1-CD 3.29Å; D199-R204 WeakPolarHBondContact OD1-CD 3.23Å; D199-R204 WeakPolarHBondContact OD1-CG 3.48Å; D199-R204 IonicContact OD1-NE 2.64Å; D199-R204 IonicContact OD2-NH1 3.45Å; G202-R204 VanDerWaalsContact C-N 3.32Å; G202-R204 PolarHBondContact O-N 3.37Å; R204-L206 VanDerWaalsContact C-N 3.27Å; R204-L206 PolarHBondContact O-N 2.92Å; R204-M207 PolarHBondContact O-N 3.34Å; R204-M207 VanDerWaalsContact O-N 3.17Å; R204-D208 PolarHBondContact O-N 3.07Å
205Q90.7Very high92.3Very high105 Ų10559.4 Ų59.449%0.49129%0.286SS..Hα-helixtrans-63.2-36.1178.2-59.5830.400111.6G202 D208G202-Q205 PolarHBondContact O-N 3.12Å; G202-Q205 PolarHBondContact O-OE1 3.11Å; Q205-D208 PolarHBondContact O-N 2.92Å
206L90.1Very high92.4Very high77 Ų7758.7 Ų58.740%0.40328%0.282SS..Hα-helixtrans-65.1-46.6174.8-178.960.1000110.9G202 M203 R204 D208 H209 L210 W212G202-L206 WeakPolarHBondContact O-CB 3.48Å; G202-L206 PolarHBondContact O-N 3.21Å; M203-L206 PolarHBondContact O-N 2.97Å; R204-L206 VanDerWaalsContact C-N 3.27Å; R204-L206 PolarHBondContact O-N 2.92Å; L206-D208 VanDerWaalsContact C-N 3.25Å; L206-D208 PolarHBondContact O-N 3.2Å; L206-H209 PolarHBondContact O-N 3.11Å; L206-L210 HydrophobicContact CD1-CB 4.27Å; L206-L210 HydrophobicContact CD1-CD2 3.95Å; L206-L210 HydrophobicContact CD2-CD2 4.4Å; L206-L210 HydrophobicContact CG-CB 4.36Å; L206-L210 HydrophobicContact CG-CD2 4.11Å; L206-L210 VanDerWaalsContact O-CB 3.26Å; L206-L210 WeakPolarHBondContact O-CB 3.22Å; L206-L210 PolarHBondContact O-N 3.44Å; L206-W212 HydrophobicContact CD2-CZ2 3.81Å
207M88.9Confident92.6Very high1 Ų156.1 Ų56.11%0.00527%0.272CS..Hα-helixtrans-63.7-29.5178.9-77.9-179.752.700112I124 V144 P146 I192 Y196 M203 R204 H209 L210I124-M207 HydrophobicContact CB-CE 4.22Å; I124-M207 HydrophobicContact CD1-CE 4.09Å; I124-M207 HydrophobicContact CG2-CE 4.43Å; V144-M207 HydrophobicContact CG1-CE 3.47Å; V144-M207 VanDerWaalsContact CG1-CE 3.47Å; V144-M207 HydrophobicContact CG1-SD 3.97Å; P146-M207 WeakPolarHBondContact CB-O 3.44Å; P146-M207 WeakPolarHBondContact CD-O 3.39Å; P146-M207 WeakPolarHBondContact CG-O 3.48Å; I192-M207 HydrophobicContact CG2-SD 4.22Å; Y196-M207 HydrophobicContact CD2-CE 3.67Å; Y196-M207 HydrophobicContact CD2-SD 3.44Å; Y196-M207 WeakPolarHBondContact CD2-SD 3.33Å; Y196-M207 HydrophobicContact CE2-CE 3.87Å; Y196-M207 HydrophobicContact CE2-SD 4.19Å; Y196-M207 HydrophobicContact CG-CE 4.38Å; Y196-M207 HydrophobicContact CG-SD 4.09Å; M203-M207 HydrophobicContact CG-CG 4.43Å; M203-M207 HydrophobicContact CG-SD 4.03Å; M203-M207 VanDerWaalsContact O-CB 3.3Å; M203-M207 WeakPolarHBondContact O-CB 3.37Å; M203-M207 VanDerWaalsContact O-CG 3.28Å; M203-M207 WeakPolarHBondContact O-CG 3.43Å; M203-M207 PolarHBondContact O-N 2.93Å; M203-M207 HydrophobicContact SD-CG 4.04Å; M203-M207 HydrophobicContact SD-SD 4.08Å; R204-M207 PolarHBondContact O-N 3.34Å; R204-M207 VanDerWaalsContact O-N 3.17Å; M207-H209 PolarHBondContact O-N 3.47Å; M207-L210 PolarHBondContact O-N 2.85Å
208D86.4Confident92.9Very high79 Ų7953.1 Ų53.142%0.42226%0.262SS..THydrogen-bonded Turntrans-54.1-26.7174.8-67.1-23.9000113.5R204 Q205 L206R204-D208 PolarHBondContact O-N 3.07Å; Q205-D208 PolarHBondContact O-N 2.92Å; L206-D208 VanDerWaalsContact C-N 3.25Å; L206-D208 PolarHBondContact O-N 3.2Å
209H85Confident93Very high112 Ų11251 Ų5152%0.51925%0.254SS..THydrogen-bonded Turntrans-121-5.4-178.7-56.5-67.9000114.7A164 D165 R166 L206 M207A164-H209 WeakPolarHBondContact CB-O 3.35Å; D165-H209 PolarHBondContact N-O 2.72Å; D165-H209 IonicContact OD2-ND1 3.62Å; R166-H209 PolarHBondContact N-O 2.92Å; L206-H209 PolarHBondContact O-N 3.11Å; M207-H209 PolarHBondContact O-N 3.47Å
210L88.5Confident93.3Very high24 Ų2447.5 Ų47.513%0.12624%0.235CC..EExtended strand (participates in β ladder)trans-130.9129.5-176.2-161.168.2000112.8A164 R166 V168 L206 M207 W212A164-L210 VanDerWaalsContact CB-N 3.32Å; R166-L210 HydrophobicContact CB-CD1 3.66Å; R166-L210 WeakPolarHBondContact O-CA 3.34Å; V168-L210 HydrophobicContact CG2-CD1 3.82Å; V168-L210 HydrophobicContact CG2-CD2 3.94Å; V168-L210 HydrophobicContact CG2-CG 4.14Å; L206-L210 HydrophobicContact CD1-CB 4.27Å; L206-L210 HydrophobicContact CD1-CD2 3.95Å; L206-L210 HydrophobicContact CD2-CD2 4.4Å; L206-L210 HydrophobicContact CG-CB 4.36Å; L206-L210 HydrophobicContact CG-CD2 4.11Å; L206-L210 VanDerWaalsContact O-CB 3.26Å; L206-L210 WeakPolarHBondContact O-CB 3.22Å; L206-L210 PolarHBondContact O-N 3.44Å; M207-L210 PolarHBondContact O-N 2.85Å; L210-W212 HydrophobicContact CD2-CH2 4Å; L210-W212 HydrophobicContact CD2-CZ2 3.69Å
211S90.4Very high93.4Very high0 Ų043.4 Ų43.40%022%0.218CC..EExtended strand (participates in β ladder)trans-102.1133.1168.9-620000110.7V144 T145 A164 R166 G167 V168V144-S211 WeakPolarHBondContact O-CA 3.46Å; T145-S211 WeakPolarHBondContact CB-OG 3.29Å; T145-S211 PolarHBondContact OG1-OG 3.35Å; A164-S211 VanDerWaalsContact CB-OG 3.23Å; A164-S211 WeakPolarHBondContact CB-OG 3.3Å; R166-S211 PolarHBondContact O-N 3.39Å; G167-S211 CarbonylContact C-O 3.57Å; G167-S211 WeakPolarHBondContact CA-O 3.44Å; V168-S211 PolarHBondContact N-O 3.08Å
212W93.8Very high93.7Very high41 Ų4137.7 Ų37.716%0.15519%0.192CC..EExtended strand (participates in β ladder)trans-97128.5173.9-55.794000110.2V143 V144 V168 I170 I192 L206 L210 I214V143-W212 CarbonylContact C-O 3.5Å; V143-W212 VanDerWaalsContact CA-O 3.24Å; V143-W212 WeakPolarHBondContact CA-O 3.32Å; V144-W212 HydrophobicContact CB-CB 4.18Å; V144-W212 PolarHBondContact N-O 3.32Å; V144-W212 PolarHBondContact O-N 2.93Å; V168-W212 HydrophobicContact CB-CE3 3.96Å; V168-W212 HydrophobicContact CB-CZ3 4.12Å; V168-W212 HydrophobicContact CG1-CE3 4.07Å; V168-W212 HydrophobicContact CG1-CZ3 3.97Å; V168-W212 HydrophobicContact CG2-CZ3 4.4Å; I170-W212 HydrophobicContact CD1-CE3 4.2Å; I170-W212 HydrophobicContact CD1-CZ3 4.29Å; I192-W212 HydrophobicContact CD1-CB 4.3Å; I192-W212 HydrophobicContact CD1-CD2 3.85Å; I192-W212 HydrophobicContact CD1-CE3 4.21Å; I192-W212 HydrophobicContact CD1-CG 3.89Å; L206-W212 HydrophobicContact CD2-CZ2 3.81Å; L210-W212 HydrophobicContact CD2-CH2 4Å; L210-W212 HydrophobicContact CD2-CZ2 3.69Å; W212-I214 HydrophobicContact CB-CD1 4.35Å; W212-I214 HydrophobicContact CB-CG1 4.35Å
213Y94.4Very high93.9Very high50 Ų5036.1 Ų36.120%0.19618%0.175CC..EExtended strand (participates in β ladder)trans-116.4107.7174.1-60-101000107.3V143 I161 G162 V168 W169 I170V143-Y213 HydrophobicContact CB-CD1 4.41Å; V143-Y213 HydrophobicContact CG1-CD1 4Å; V143-Y213 HydrophobicContact CG1-CE1 3.79Å; V143-Y213 HydrophobicContact CG2-CD1 3.67Å; V143-Y213 HydrophobicContact CG2-CE1 4.01Å; I161-Y213 HydrophobicContact CB-CE1 3.84Å; I161-Y213 HydrophobicContact CG2-CD1 4.32Å; I161-Y213 HydrophobicContact CG2-CE1 3.59Å; G162-Y213 PolarHBondContact N-OH 2.83Å; V168-Y213 PolarHBondContact O-N 3.48Å; W169-Y213 CarbonylContact C-O 3.58Å; W169-Y213 WeakPolarHBondContact CA-O 3.24Å; W169-Y213 HydrophobicContact CE3-CG 4.49Å; I170-Y213 PolarHBondContact N-O 2.81Å
214I97.8Very high93.9Very high0 Ų036.9 Ų36.90%018%0.178CC..EExtended strand (participates in β ladder)trans-120.8120.6-173.1-51.2177.2000109.4A141 V142 I170 A185 I189 I192 W212 P216A141-I214 CarbonylContact C-O 3.48Å; A141-I214 VanDerWaalsContact CA-O 3.25Å; A141-I214 WeakPolarHBondContact CA-O 3.22Å; V142-I214 HydrophobicContact CG1-CB 4Å; V142-I214 PolarHBondContact N-O 2.9Å; V142-I214 PolarHBondContact O-N 2.85Å; I170-I214 HydrophobicContact CB-CG1 4.32Å; I170-I214 HydrophobicContact CB-CG2 4.43Å; I170-I214 HydrophobicContact CD1-CG1 4.44Å; I170-I214 CarbonylContact O-C 3.47Å; I170-I214 VanDerWaalsContact O-CA 3.29Å; I170-I214 WeakPolarHBondContact O-CA 3.44Å; A185-I214 HydrophobicContact CB-CG2 4.26Å; I189-I214 HydrophobicContact CD1-CB 4.24Å; I189-I214 HydrophobicContact CD1-CG2 3.83Å; I189-I214 HydrophobicContact CG1-CB 4.1Å; I189-I214 HydrophobicContact CG1-CD1 3.72Å; I189-I214 HydrophobicContact CG1-CG1 4.49Å; I189-I214 HydrophobicContact CG1-CG2 3.88Å; I192-I214 HydrophobicContact CD1-CD1 3.6Å; W212-I214 HydrophobicContact CB-CD1 4.35Å; W212-I214 HydrophobicContact CB-CG1 4.35Å; I214-P216 HydrophobicContact CG2-CG 4.43Å; I214-P216 WeakPolarHBondContact O-CD 3.44Å
215L98.1Very high94.1Very high0 Ų038.2 Ų38.20%019%0.187CC..EExtended strand (participates in β ladder)trans-110.997.3172.1177.665.2000109.2I130 L139 L140 A141 W169 I170 D171 A172 I217 L218I130-L215 HydrophobicContact CD1-CD2 3.54Å; I130-L215 HydrophobicContact CG1-CD2 4.44Å; L139-L215 HydrophobicContact CB-CD1 4.5Å; L140-L215 WeakPolarHBondContact O-CD1 3.27Å; A141-L215 HydrophobicContact CB-CB 4.18Å; A141-L215 HydrophobicContact CB-CD1 4.24Å; W169-L215 HydrophobicContact CH2-CB 4.02Å; W169-L215 HydrophobicContact CH2-CD2 4.22Å; W169-L215 HydrophobicContact CZ2-CB 3.98Å; W169-L215 HydrophobicContact CZ2-CD2 4.02Å; I170-L215 PolarHBondContact O-N 2.86Å; D171-L215 WeakPolarHBondContact CA-O 3.24Å; D171-L215 HydrophobicContact CB-CB 4.28Å; D171-L215 HydrophobicContact CB-CD2 4.48Å; A172-L215 PolarHBondContact N-O 2.79Å; L215-I217 VanDerWaalsContact C-N 3.27Å; L215-I217 PolarHBondContact O-N 2.9Å; L215-L218 HydrophobicContact CD2-CB 4.1Å; L215-L218 HydrophobicContact CD2-CD1 3.36Å; L215-L218 HydrophobicContact CD2-CG 4.31Å
216P98.1Very high94.2Very high2 Ų235.1 Ų35.11%0.01318%0.176CC..SBendtrans-67.7-25.3-172.8-23.435.2000114.8I110 L114 A172 A185 V186 I189 I214I110-P216 HydrophobicContact CG2-CB 4.02Å; I110-P216 HydrophobicContact CG2-CG 4.32Å; L114-P216 HydrophobicContact CD1-CG 4.29Å; L114-P216 HydrophobicContact CD2-CG 4.39Å; A172-P216 WeakPolarHBondContact CB-O 3.26Å; A185-P216 HydrophobicContact CB-CB 4.22Å; V186-P216 HydrophobicContact CG2-CB 3.9Å; V186-P216 HydrophobicContact CG2-CG 4.5Å; I189-P216 HydrophobicContact CD1-CG 3.57Å; I214-P216 HydrophobicContact CG2-CG 4.43Å; I214-P216 WeakPolarHBondContact O-CD 3.44Å
217I98.1Very high94.1Very high11 Ų1133.4 Ų33.46%0.05616%0.164CC..  trans-139.397.6-176.7-45.9177.1000109.6Y107 I110 V182 L215 P220 Y223Y107-I217 HydrophobicContact CD2-CD1 4.18Å; I110-I217 HydrophobicContact CB-CD1 4.11Å; I110-I217 HydrophobicContact CD1-CD1 3.57Å; I110-I217 HydrophobicContact CD1-CG1 4.13Å; I110-I217 HydrophobicContact CG1-CD1 4.41Å; I110-I217 HydrophobicContact CG2-CD1 4.15Å; I110-I217 HydrophobicContact CG2-CG1 4.45Å; V182-I217 HydrophobicContact CG1-CD1 4.26Å; V182-I217 HydrophobicContact CG1-CG1 3.76Å; V182-I217 HydrophobicContact CG2-CG1 4.47Å; L215-I217 VanDerWaalsContact C-N 3.27Å; L215-I217 PolarHBondContact O-N 2.9Å; I217-P220 VanDerWaalsContact CG2-CA 3.5Å; I217-P220 HydrophobicContact CG2-CB 3.92Å; I217-Y223 HydrophobicContact CD1-CD1 4.1Å; I217-Y223 HydrophobicContact CD1-CE1 4.24Å; I217-Y223 HydrophobicContact CG2-CD1 4.38Å; I217-Y223 HydrophobicContact CG2-CG 4.37Å
218L98Very high93.8Very high50 Ų5037.9 Ų37.926%0.26219%0.191SC..SBendtrans-77.1-31.7175.8-174.666.6000112.1L139 A172 I174 L215 P220L139-L218 VanDerWaalsContact CD2-O 3.24Å; L139-L218 WeakPolarHBondContact CD2-O 3.39Å; A172-L218 PolarHBondContact O-N 2.87Å; I174-L218 HydrophobicContact CB-CD2 3.82Å; I174-L218 HydrophobicContact CD1-CD2 3.84Å; I174-L218 HydrophobicContact CG1-CD2 3.76Å; L215-L218 HydrophobicContact CD2-CB 4.1Å; L215-L218 HydrophobicContact CD2-CD1 3.36Å; L215-L218 HydrophobicContact CD2-CG 4.31Å; L218-P220 VanDerWaalsContact O-CD 3.32Å; L218-P220 WeakPolarHBondContact O-CD 3.5Å
219N98.3Very high93Very high57 Ų5737.5 Ų37.531%0.30519%0.192SC..  trans-117.776176.9-1771.2000111.6G173 I174 D221 G222 Y223G173-N219 WeakPolarHBondContact O-CB 3.38Å; G173-N219 PolarHBondContact O-N 2.94Å; I174-N219 VanDerWaalsContact O-CB 3.27Å; I174-N219 WeakPolarHBondContact O-CB 3.39Å; I174-N219 PolarHBondContact O-ND2 2.87Å; N219-D221 PolarHBondContact O-N 3.18Å; N219-G222 PolarHBondContact OD1-N 3.39Å; N219-Y223 VanDerWaalsContact O-CB 3.27Å; N219-Y223 WeakPolarHBondContact O-CB 3.46Å; N219-Y223 PolarHBondContact O-N 3.12Å
220P98Very high91.7Very high2 Ų240 Ų401%0.01322%0.215CC..Hα-helixtrans-69.7-30.9-174.729.9-37.9000113.5Y107 R137 L139 I217 L218 E224Y107-P220 HydrophobicContact CD2-CB 3.44Å; Y107-P220 VanDerWaalsContact CD2-CB 3.44Å; Y107-P220 HydrophobicContact CE2-CB 3.77Å; Y107-P220 HydrophobicContact CE2-CG 4.48Å; Y107-P220 HydrophobicContact CG-CB 4.26Å; R137-P220 HydrophobicContact CB-CB 4.19Å; R137-P220 HydrophobicContact CB-CG 3.97Å; L139-P220 VanDerWaalsContact CD2-CD 3.46Å; L139-P220 HydrophobicContact CD2-CG 3.78Å; I217-P220 VanDerWaalsContact CG2-CA 3.5Å; I217-P220 HydrophobicContact CG2-CB 3.92Å; L218-P220 VanDerWaalsContact O-CD 3.32Å; L218-P220 WeakPolarHBondContact O-CD 3.5Å; P220-E224 WeakPolarHBondContact O-CB 3.26Å; P220-E224 WeakPolarHBondContact O-CG 3.4Å; P220-E224 PolarHBondContact O-N 3.19Å
221D97.9Very high91.8Very high17 Ų1740.9 Ų40.99%0.09122%0.219CC..Hα-helixtrans-69.5-50.4-180-57.6-12.4000110.5S133 Y134 E135 R137 N219 Y223 E224 F225S133-D221 VanDerWaalsContact CB-CG 3.43Å; S133-D221 WeakPolarHBondContact CB-OD1 3.34Å; S133-D221 WeakPolarHBondContact CB-OD2 3.39Å; S133-D221 PolarHBondContact OG-OD1 3.15Å; S133-D221 PolarHBondContact OG-OD2 3.08Å; Y134-D221 PolarHBondContact N-OD2 3.48Å; E135-D221 HydrophobicContact CG-CB 4.23Å; E135-D221 PolarHBondContact N-OD2 2.68Å; R137-D221 IonicContact CZ-OD1 3.78Å; R137-D221 IonicContact NH1-OD1 3.56Å; R137-D221 PolarHBondContact NH1-OD1 3.02Å; N219-D221 PolarHBondContact O-N 3.18Å; D221-Y223 VanDerWaalsContact C-N 3.32Å; D221-Y223 PolarHBondContact O-N 3.43Å; D221-E224 PolarHBondContact O-N 2.95Å; D221-F225 WeakPolarHBondContact O-CB 3.41Å; D221-F225 PolarHBondContact O-N 2.98Å
222G97.7Very high91.9Very high17 Ų1743 Ų4318%0.17523%0.231CC..Hα-helixtrans-61.1-42.417500000111.5A176 N219 F225 T226A176-G222 VanDerWaalsContact CB-O 3.27Å; A176-G222 WeakPolarHBondContact CB-O 3.44Å; N219-G222 PolarHBondContact OD1-N 3.39Å; G222-F225 WeakPolarHBondContact O-CB 3.4Å; G222-F225 PolarHBondContact O-N 3.12Å; G222-T226 WeakPolarHBondContact O-CG2 3.45Å; G222-T226 PolarHBondContact O-N 2.74Å
223Y96.9Very high91.8Very high0 Ų043.1 Ų43.10%024%0.235CC..Hα-helixtrans-60.7-48.6179.8-177.8-111.2000111.7N105 W179 V182 I217 N219 D221 F225 T226 R227N105-Y223 WeakPolarHBondContact O-CE1 3.43Å; N105-Y223 VanDerWaalsContact O-CZ 3.3Å; N105-Y223 PolarHBondContact O-OH 3.06Å; W179-Y223 HydrophobicContact CB-CE2 4.34Å; W179-Y223 AromaticContact CD1-CD2 3.86Å; W179-Y223 AromaticContact CD1-CE2 3.56Å; W179-Y223 HydrophobicContact CD2-CE2 4.25Å; W179-Y223 AromaticContact CG-CE2 3.83Å; W179-Y223 HydrophobicContact CG-CE2 3.83Å; W179-Y223 AromaticContact NE1-CD2 3.96Å; W179-Y223 AromaticContact NE1-CE2 3.82Å; V182-Y223 HydrophobicContact CB-CE2 4.28Å; V182-Y223 HydrophobicContact CG1-CE1 4.39Å; V182-Y223 HydrophobicContact CG1-CE2 4.38Å; V182-Y223 HydrophobicContact CG2-CD2 4.12Å; V182-Y223 HydrophobicContact CG2-CE2 4.03Å; I217-Y223 HydrophobicContact CD1-CD1 4.1Å; I217-Y223 HydrophobicContact CD1-CE1 4.24Å; I217-Y223 HydrophobicContact CG2-CD1 4.38Å; I217-Y223 HydrophobicContact CG2-CG 4.37Å; N219-Y223 VanDerWaalsContact O-CB 3.27Å; N219-Y223 WeakPolarHBondContact O-CB 3.46Å; N219-Y223 PolarHBondContact O-N 3.12Å; D221-Y223 VanDerWaalsContact C-N 3.32Å; D221-Y223 PolarHBondContact O-N 3.43Å; Y223-F225 VanDerWaalsContact C-N 3.32Å; Y223-F225 PolarHBondContact O-N 3.44Å; Y223-T226 PolarHBondContact O-N 3.31Å; Y223-T226 PolarHBondContact O-OG1 2.82Å; Y223-R227 WeakPolarHBondContact O-CG 3.13Å; Y223-R227 PolarHBondContact O-N 2.79Å
224E94.5Very high91.7Very high32 Ų3242.7 Ų42.715%0.1524%0.238CC..Hα-helixtrans-62.3-39.6174.5-74.1-66.6114.500111.8S106 Y107 P220 D221 T226 R227 T228S106-E224 WeakPolarHBondContact CB-OE1 3.13Å; Y107-E224 WeakPolarHBondContact CB-OE1 3.18Å; Y107-E224 PolarHBondContact N-OE1 3Å; P220-E224 WeakPolarHBondContact O-CB 3.26Å; P220-E224 WeakPolarHBondContact O-CG 3.4Å; P220-E224 PolarHBondContact O-N 3.19Å; D221-E224 PolarHBondContact O-N 2.95Å; E224-T226 PolarHBondContact O-N 2.86Å; E224-R227 PolarHBondContact O-N 3.46Å; E224-R227 VanDerWaalsContact O-N 3.13Å; E224-T228 WeakPolarHBondContact O-CB 3.33Å; E224-T228 WeakPolarHBondContact O-CG2 3.38Å; E224-T228 PolarHBondContact O-N 3.31Å; E224-T228 PolarHBondContact O-OG1 3.25Å
225F94.8Very high91.3Very high125 Ų12545.4 Ų45.455%0.54825%0.252SS..Hα-helixtrans-56.6-48.3175-176-93.5000111.8D221 G222 Y223 R227 T228 T229D221-F225 WeakPolarHBondContact O-CB 3.41Å; D221-F225 PolarHBondContact O-N 2.98Å; G222-F225 WeakPolarHBondContact O-CB 3.4Å; G222-F225 PolarHBondContact O-N 3.12Å; Y223-F225 VanDerWaalsContact C-N 3.32Å; Y223-F225 PolarHBondContact O-N 3.44Å; F225-R227 PolarHBondContact O-N 3.32Å; F225-T228 PolarHBondContact O-N 3.25Å; F225-T229 HydrophobicContact CE2-CG2 4.08Å; F225-T229 HydrophobicContact CZ-CG2 3.98Å; F225-T229 WeakPolarHBondContact O-CB 3.26Å; F225-T229 PolarHBondContact O-N 2.85Å; F225-T229 PolarHBondContact O-OG1 2.89Å
226T92.1Very high90.8Very high41 Ų4148.4 Ų48.425%0.25227%0.269SS..Hα-helixtrans-63.9-25.3178.661.40000113.8A176 W179 G222 Y223 E224A176-T226 HydrophobicContact CB-CG2 3.7Å; A176-T226 PolarHBondContact O-OG1 3.29Å; W179-T226 PolarHBondContact NE1-OG1 3.01Å; G222-T226 WeakPolarHBondContact O-CG2 3.45Å; G222-T226 PolarHBondContact O-N 2.74Å; Y223-T226 PolarHBondContact O-N 3.31Å; Y223-T226 PolarHBondContact O-OG1 2.82Å; E224-T226 PolarHBondContact O-N 2.86Å
227R87.7Confident90.3Very high41 Ų4151.7 Ų51.716%0.15529%0.287CS..Hα-helixtrans-85.8-30.5179.8-73.3-179.461.586.8-1.1113.6Y104 W179 Y223 E224 F225Y104-R227 VanDerWaalsContact C-NH1 3.32Å; Y104-R227 PolarHBondContact O-NH1 3.33Å; Y104-R227 PolarHBondContact O-NH2 3.49Å; W179-R227 HydrophobicContact CH2-CB 4.27Å; W179-R227 HydrophobicContact CH2-CG 3.56Å; W179-R227 HydrophobicContact CZ2-CB 4.09Å; W179-R227 HydrophobicContact CZ2-CG 3.29Å; W179-R227 HydrophobicContact CZ3-CG 4.37Å; Y223-R227 WeakPolarHBondContact O-CG 3.13Å; Y223-R227 PolarHBondContact O-N 2.79Å; E224-R227 PolarHBondContact O-N 3.46Å; E224-R227 VanDerWaalsContact O-N 3.13Å; F225-R227 PolarHBondContact O-N 3.32Å
228T83.3Confident89.7Confident95 Ų9554.8 Ų54.858%0.58331%0.305SS*.Hα-helixtrans-106.1-25.2-167.153.30000113.8E224 F225E224-T228 WeakPolarHBondContact O-CB 3.33Å; E224-T228 WeakPolarHBondContact O-CG2 3.38Å; E224-T228 PolarHBondContact O-N 3.31Å; E224-T228 PolarHBondContact O-OG1 3.25Å; F225-T228 PolarHBondContact O-N 3.25Å
229T70.5Confident89Confident71 Ų7155.3 Ų55.344%0.43631%0.309SS..  trans-105.5125.5-174.9-51.90000109.8F225F225-T229 HydrophobicContact CE2-CG2 4.08Å; F225-T229 HydrophobicContact CZ-CG2 3.98Å; F225-T229 WeakPolarHBondContact O-CB 3.26Å; F225-T229 PolarHBondContact O-N 2.85Å; F225-T229 PolarHBondContact O-OG1 2.89Å
230V56.4Low88.2Confident165 Ų16555.1 Ų55.1100%131%0.309SS*.  trans-96.30179.6-166.80000110.5F78F78-V230 HydrophobicContact CD2-CG1 4.41Å; F78-V230 HydrophobicContact CE1-CG2 4.37Å; F78-V230 HydrophobicContact CE2-CG1 3.69Å; F78-V230 HydrophobicContact CZ-CB 4.42Å; F78-V230 HydrophobicContact CZ-CG1 3.79Å; F78-V230 HydrophobicContact CZ-CG2 4.34Å

Retrieved 230 of 230 residues in 425.6 ms (Link to these results)

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