G4VBI3_SCHMA Loading...

Putative snare protein ykt6

Vesicular soluble NSF attachment protein receptor (v-SNARE) mediating vesicle docking and fusion to a specific acceptor cellular compartment. Functions in endoplasmic reticulum to Golgi transport; as part of a SNARE complex composed of GOSR1, GOSR2 and STX5. Functions in early/recycling endosome to TGN transport; as part of a SNARE complex composed of BET1L, GOSR1 and STX5. Has a S-palmitoyl transferase activity. Essential for the structural and functional organization of the Golgi apparatus.

AlphaFold DB , UniProt , Accession G4VBI3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 198 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
1M87.2Confident94.7Very high99 Ų9919.1 Ų19.149%0.4889%0.087SC..  0105.20-172.3172.771.300110.9D82 E84 Y85 P133M1-D82 VanDerWaalsContact CA-CG 3.45Å; M1-D82 VanDerWaalsContact CA-OD1 3.22Å; M1-D82 WeakPolarHBondContact CA-OD1 3.37Å; M1-D82 WeakPolarHBondContact CA-OD2 3.46Å; M1-D82 PolarHBondContact N-OD2 2.65Å; M1-E84 HydrophobicContact CB-CB 4.18Å; M1-E84 PolarHBondContact N-OE2 3.15Å; M1-Y85 HydrophobicContact CG-CD2 3.8Å; M1-Y85 HydrophobicContact CG-CG 4.44Å; M1-P133 HydrophobicContact CE-CG 3.56Å; M1-P133 HydrophobicContact CG-CG 4.34Å; M1-P133 HydrophobicContact SD-CG 3.36Å; M1-P133 WeakPolarHBondContact SD-CG 3.36Å
2K92.8Very high94.3Very high33 Ų3320.8 Ų20.814%0.14310%0.1CC..  trans-157.2147-176.1-160.2175-178.3164.30113F4 S26 D27 C81 D82 Q131K2-F4 HydrophobicContact CB-CE1 4.45Å; K2-F4 HydrophobicContact CB-CZ 4.31Å; K2-F4 HydrophobicContact CD-CD1 4.44Å; K2-F4 HydrophobicContact CD-CE1 3.98Å; K2-F4 HydrophobicContact CG-CE1 4.44Å; K2-S26 PolarHBondContact NZ-OG 3.17Å; K2-D27 WeakPolarHBondContact CD-OD2 3.36Å; K2-D27 VanDerWaalsContact CE-OD2 3.3Å; K2-D27 WeakPolarHBondContact CE-OD2 3.31Å; K2-D27 IonicContact NZ-OD1 3.3Å; K2-D27 PolarHBondContact NZ-OD1 2.81Å; K2-D27 IonicContact NZ-OD2 2.71Å; K2-D27 PolarHBondContact NZ-OD2 3.31Å; K2-C81 VanDerWaalsContact O-CA 3.29Å; K2-C81 WeakPolarHBondContact O-CA 3.22Å; K2-C81 VanDerWaalsContact O-CB 3.31Å; K2-C81 WeakPolarHBondContact O-CB 2.85Å; K2-D82 PolarHBondContact N-OD1 2.74Å; K2-D82 VanDerWaalsContact N-OD1 3.14Å; K2-D82 PolarHBondContact N-OD2 3.31Å; K2-D82 PolarHBondContact O-N 3.2Å; K2-Q131 VanDerWaalsContact CG-OE1 3.26Å
3L95.3Very high93.5Very high0 Ų031.1 Ų31.10%016%0.156CC..EExtended strand (participates in β ladder)trans-95.1130.5166.2-59.2178000109.8L79 C81 Y85 L93 L127 Y130 Q131L3-L79 HydrophobicContact CD1-CD1 4.3Å; L3-L79 HydrophobicContact CD2-CD1 3.93Å; L3-L79 HydrophobicContact CD2-CD2 3.74Å; L3-L79 HydrophobicContact CD2-CG 4.08Å; L3-C81 HydrophobicContact CD2-CB 3.62Å; L3-Y85 HydrophobicContact CD1-CE2 4.1Å; L3-Y85 HydrophobicContact CD2-CD1 3.87Å; L3-Y85 HydrophobicContact CD2-CD2 3.73Å; L3-Y85 HydrophobicContact CD2-CE1 3.72Å; L3-Y85 HydrophobicContact CD2-CE2 3.57Å; L3-Y85 HydrophobicContact CD2-CG 3.88Å; L3-Y85 HydrophobicContact CG-CD2 4.03Å; L3-Y85 HydrophobicContact CG-CE2 3.59Å; L3-L93 HydrophobicContact CD1-CD2 3.89Å; L3-L127 HydrophobicContact CB-CD1 3.63Å; L3-L127 HydrophobicContact CD1-CD1 4.33Å; L3-Y130 WeakPolarHBondContact CD1-O 3.41Å; L3-Q131 PolarHBondContact O-NE2 2.85Å
4F95.6Very high92.8Very high11 Ų1138.2 Ų38.25%0.04820%0.202CC..EExtended strand (participates in β ladder)trans-103.4-34.6-180-61.1-69.7000113.1K2 H23 E24 F28 M40 Y64 I80 D82K2-F4 HydrophobicContact CB-CE1 4.45Å; K2-F4 HydrophobicContact CB-CZ 4.31Å; K2-F4 HydrophobicContact CD-CD1 4.44Å; K2-F4 HydrophobicContact CD-CE1 3.98Å; K2-F4 HydrophobicContact CG-CE1 4.44Å; F4-H23 WeakPolarHBondContact O-CA 3.4Å; F4-E24 PolarHBondContact O-N 3.17Å; F4-F28 AromaticContact CD1-CE2 3.76Å; F4-F28 HydrophobicContact CD1-CE2 3.76Å; F4-F28 HydrophobicContact CD1-CZ 4.14Å; F4-F28 HydrophobicContact CE1-CE2 4.02Å; F4-F28 HydrophobicContact CE1-CZ 4.14Å; F4-M40 HydrophobicContact CB-CE 3.51Å; F4-M40 HydrophobicContact CB-SD 4.23Å; F4-M40 HydrophobicContact CG-CE 4.18Å; F4-Y64 AromaticContact CD2-CD1 3.84Å; F4-Y64 HydrophobicContact CD2-CD1 3.84Å; F4-Y64 HydrophobicContact CD2-CE1 4.01Å; F4-Y64 HydrophobicContact CE1-CE1 4.49Å; F4-Y64 AromaticContact CE2-CD1 3.49Å; F4-Y64 HydrophobicContact CE2-CD1 3.49Å; F4-Y64 VanDerWaalsContact CE2-CD1 3.49Å; F4-Y64 AromaticContact CE2-CE1 3.46Å; F4-Y64 HydrophobicContact CE2-CE1 3.46Å; F4-Y64 VanDerWaalsContact CE2-CE1 3.46Å; F4-Y64 HydrophobicContact CZ-CD1 4.24Å; F4-Y64 AromaticContact CZ-CE1 3.74Å; F4-Y64 HydrophobicContact CZ-CE1 3.74Å; F4-I80 HydrophobicContact CB-CG2 4.43Å; F4-I80 HydrophobicContact CD2-CG2 4.43Å; F4-I80 PolarHBondContact N-O 3.04Å; F4-D82 HydrophobicContact CE2-CB 4.03Å; F4-D82 HydrophobicContact CZ-CB 4.49Å
5S96.1Very high92.7Very high0 Ų039 Ų390%021%0.212CC..EExtended strand (participates in β ladder)trans-153.5143.8178.7-170.50000111.8Q7 S22 H23 L79 I80S5-Q7 VanDerWaalsContact OG-CG 3.28Å; S5-Q7 WeakPolarHBondContact OG-CG 2.88Å; S5-Q7 PolarHBondContact OG-NE2 3.42Å; S5-S22 VanDerWaalsContact CA-O 3.3Å; S5-S22 WeakPolarHBondContact CA-O 3.38Å; S5-S22 PolarHBondContact OG-O 2.82Å; S5-H23 PolarHBondContact OG-CE1 2.75Å; S5-H23 PolarHBondContact OG-ND1 2.68Å; S5-H23 VanDerWaalsContact OG-ND1 3.12Å; S5-L79 CarbonylContact O-C 3.59Å; S5-L79 WeakPolarHBondContact O-CA 3.47Å; S5-I80 PolarHBondContact N-O 3.06Å; S5-I80 PolarHBondContact O-N 3.06Å
6L96.7Very high92.7Very high0 Ų037.1 Ų37.10%020%0.203CC..EExtended strand (participates in β ladder)trans-129122.1168.9176.461.6000107.9S22 L79 L94 A97 I123 L127L6-S22 PolarHBondContact N-O 3.17Å; L6-S22 PolarHBondContact O-N 3.48Å; L6-L79 HydrophobicContact CB-CD1 4.31Å; L6-L79 HydrophobicContact CD1-CB 4.22Å; L6-L79 HydrophobicContact CD1-CD1 3.84Å; L6-L94 HydrophobicContact CD1-CD2 4.02Å; L6-A97 HydrophobicContact CD1-CB 4.3Å; L6-A97 HydrophobicContact CD2-CB 4.29Å; L6-I123 HydrophobicContact CB-CG2 4.37Å; L6-I123 HydrophobicContact CD2-CG2 3.77Å; L6-I123 HydrophobicContact CG-CG2 3.79Å; L6-L127 HydrophobicContact CB-CB 4.43Å; L6-L127 HydrophobicContact CB-CD1 4.08Å
7Q96.5Very high92.6Very high0 Ų037.6 Ų37.60%020%0.203CC..EExtended strand (participates in β ladder)trans-133.7143.7-173.1-49.1-170.27.500110.9S5 L9 L18 Q20 T21 H23 D41 V78S5-Q7 VanDerWaalsContact OG-CG 3.28Å; S5-Q7 WeakPolarHBondContact OG-CG 2.88Å; S5-Q7 PolarHBondContact OG-NE2 3.42Å; Q7-L9 HydrophobicContact CB-CD1 3.85Å; Q7-L18 HydrophobicContact CB-CD1 4.33Å; Q7-Q20 CarbonylContact C-O 3.57Å; Q7-Q20 WeakPolarHBondContact CA-O 3.3Å; Q7-T21 HydrophobicContact CB-CG2 4.22Å; Q7-T21 HydrophobicContact CG-CG2 3.9Å; Q7-H23 PolarHBondContact NE2-CE1 3.3Å; Q7-H23 VanDerWaalsContact NE2-CE1 3.29Å; Q7-D41 PolarHBondContact NE2-OD1 2.73Å; Q7-D41 PolarHBondContact OE1-OD1 2.7Å; Q7-V78 HydrophobicContact CB-CB 4.47Å; Q7-V78 PolarHBondContact N-O 3.48Å; Q7-V78 PolarHBondContact O-N 3.5Å
8I96.1Very high92.6Very high0 Ų036.2 Ų36.20%020%0.195CC..EExtended strand (participates in β ladder)trans-115.5124172.1-51.5-63.3000108.2L19 Q20 L75 C76 A97 T98 F101 I123I8-L19 WeakPolarHBondContact O-CB 3.44Å; I8-L19 PolarHBondContact O-N 2.92Å; I8-Q20 HydrophobicContact CB-CB 4.08Å; I8-Q20 HydrophobicContact CG1-CB 4.29Å; I8-Q20 PolarHBondContact N-O 3.21Å; I8-Q20 PolarHBondContact O-N 3.22Å; I8-Q20 VanDerWaalsContact O-N 3.08Å; I8-L75 HydrophobicContact CG2-CD1 3.63Å; I8-L75 HydrophobicContact CG2-CD2 4.48Å; I8-L75 HydrophobicContact CG2-CG 4.05Å; I8-C76 CarbonylContact C-O 3.46Å; I8-C76 WeakPolarHBondContact CA-O 3.25Å; I8-A97 HydrophobicContact CD1-CB 4.14Å; I8-T98 HydrophobicContact CD1-CG2 3.96Å; I8-F101 HydrophobicContact CB-CD2 4.4Å; I8-F101 HydrophobicContact CG1-CB 4.48Å; I8-F101 HydrophobicContact CG1-CD2 4.32Å; I8-F101 HydrophobicContact CG1-CG 4.4Å; I8-F101 HydrophobicContact CG2-CD1 3.86Å; I8-F101 HydrophobicContact CG2-CD2 4.26Å; I8-F101 HydrophobicContact CG2-CE1 4.12Å; I8-F101 HydrophobicContact CG2-CG 3.95Å; I8-F101 HydrophobicContact CG2-CZ 4.44Å; I8-I123 HydrophobicContact CD1-CD1 4.43Å; I8-I123 HydrophobicContact CG1-CD1 4.23Å; I8-I123 HydrophobicContact CG1-CG1 4.32Å
9L95.8Very high92.6Very high0 Ų034.3 Ų34.30%019%0.185CC..EExtended strand (participates in β ladder)trans-121.3154.1179.7-62.991.7000109.7Q7 A16 K17 L18 A44 K45 C48 C76 V78Q7-L9 HydrophobicContact CB-CD1 3.85Å; L9-A16 HydrophobicContact CD2-CB 4.01Å; L9-K17 CarbonylContact C-O 3.59Å; L9-K17 WeakPolarHBondContact CA-O 3.46Å; L9-L18 HydrophobicContact CD1-CD1 4.08Å; L9-L18 HydrophobicContact CD2-CD1 3.95Å; L9-L18 HydrophobicContact CG-CD1 3.71Å; L9-A44 HydrophobicContact CD1-CB 4.04Å; L9-A44 HydrophobicContact CD2-CB 4.39Å; L9-K45 HydrophobicContact CD2-CB 4.49Å; L9-K45 HydrophobicContact CD2-CG 3.87Å; L9-C48 HydrophobicContact CD2-CB 4.21Å; L9-C76 HydrophobicContact CB-CB 4.24Å; L9-C76 PolarHBondContact N-O 3.3Å; L9-C76 PolarHBondContact O-N 3.05Å; L9-V78 HydrophobicContact CD1-CB 4.18Å; L9-V78 HydrophobicContact CD1-CG2 3.73Å
10Y95Very high92.6Very high38 Ų3832.6 Ų32.615%0.14918%0.175CC..EExtended strand (participates in β ladder)trans-108.1120.3168.1178.6-118.7000109.3T12 K17 N74 W110Y10-T12 HydrophobicContact CD1-CG2 3.88Å; Y10-T12 HydrophobicContact CE1-CG2 3.81Å; Y10-K17 PolarHBondContact N-O 3.21Å; Y10-K17 PolarHBondContact O-N 3.47Å; Y10-N74 HydrophobicContact CD2-CB 4.16Å; Y10-N74 HydrophobicContact CE2-CB 3.76Å; Y10-W110 HydrophobicContact CD1-CB 4.33Å; Y10-W110 HydrophobicContact CD2-CB 4.14Å; Y10-W110 HydrophobicContact CD2-CD2 4.36Å; Y10-W110 AromaticContact CD2-CE3 3.63Å; Y10-W110 HydrophobicContact CD2-CE3 3.63Å; Y10-W110 HydrophobicContact CD2-CZ3 4.46Å; Y10-W110 AromaticContact CE2-CE3 3.7Å; Y10-W110 HydrophobicContact CE2-CE3 3.7Å; Y10-W110 HydrophobicContact CE2-CZ3 4.42Å; Y10-W110 HydrophobicContact CG-CB 4.04Å
11K94.5Very high92.7Very high29 Ų2931.9 Ų31.913%0.12617%0.172CC..EExtended strand (participates in β ladder)trans-82117.6178.1-174.2-179.5179.967.20109.2C48 E49 T51 V70 N74K11-C48 PolarHBondContact NZ-O 2.91Å; K11-E49 VanDerWaalsContact NZ-C 3.25Å; K11-E49 PolarHBondContact NZ-O 2.54Å; K11-T51 VanDerWaalsContact CE-O 3.25Å; K11-T51 WeakPolarHBondContact CE-O 3.37Å; K11-T51 PolarHBondContact NZ-O 3.16Å; K11-T51 VanDerWaalsContact NZ-O 3.17Å; K11-V70 HydrophobicContact CD-CG1 4.02Å; K11-N74 HydrophobicContact CB-CB 4.14Å; K11-N74 WeakPolarHBondContact CB-O 3.42Å; K11-N74 PolarHBondContact N-O 2.99Å; K11-N74 WeakPolarHBondContact O-CB 3.36Å
12T89.6Confident93.1Very high40 Ų4027.5 Ų27.525%0.24515%0.152CC..  trans-96.1173.4166.468.70000109.3Y10 T14 S15Y10-T12 HydrophobicContact CD1-CG2 3.88Å; Y10-T12 HydrophobicContact CE1-CG2 3.81Å; T12-T14 PolarHBondContact O-N 3.43Å; T12-S15 WeakPolarHBondContact CA-O 3.13Å; T12-S15 WeakPolarHBondContact CB-O 3.22Å; T12-S15 PolarHBondContact N-O 2.94Å; T12-S15 PolarHBondContact OG1-N 3.14Å; T12-S15 PolarHBondContact OG1-O 3.48Å; T12-S15 PolarHBondContact OG1-OG 2.92Å
13D84Confident93.2Very high154 Ų15427.8 Ų27.882%0.82415%0.153SC*.SBendtrans-61.9-27.7179.6-63.9-40.8000112.8
14T84.3Confident93.1Very high131 Ų13129.4 Ų29.480%0.80416%0.161SC*.SBendtrans-117.9-16.5-173.956.10000114.7T12T12-T14 PolarHBondContact O-N 3.43Å
15S90.5Very high93Very high50 Ų5029.5 Ų29.535%0.3516%0.162SC..  trans-154.2162.7-172.867.70000113.2T12 E49T12-S15 WeakPolarHBondContact CA-O 3.13Å; T12-S15 WeakPolarHBondContact CB-O 3.22Å; T12-S15 PolarHBondContact N-O 2.94Å; T12-S15 PolarHBondContact OG1-N 3.14Å; T12-S15 PolarHBondContact OG1-O 3.48Å; T12-S15 PolarHBondContact OG1-OG 2.92Å; S15-E49 WeakPolarHBondContact CA-OE1 3.45Å
16A92.6Very high92.8Very high9 Ų932.1 Ų32.17%0.07418%0.18CC..EExtended strand (participates in β ladder)trans-104.2125.8168.400000112L9 K45 C48 E49L9-A16 HydrophobicContact CD2-CB 4.01Å; A16-K45 HydrophobicContact CB-CB 4.36Å; A16-K45 HydrophobicContact CB-CG 4.41Å; A16-C48 HydrophobicContact CB-CB 3.82Å; A16-E49 HydrophobicContact CB-CG 3.81Å; A16-E49 PolarHBondContact N-OE1 3.03Å
17K91.4Very high92.4Very high46 Ų4637 Ų3720%0.221%0.206CC..EExtended strand (participates in β ladder)trans-98.8123.3176.5-171.8175.3-176.3177.30110.9L9 Y10 L19 T111 M113 V115L9-K17 CarbonylContact C-O 3.59Å; L9-K17 WeakPolarHBondContact CA-O 3.46Å; Y10-K17 PolarHBondContact N-O 3.21Å; Y10-K17 PolarHBondContact O-N 3.47Å; K17-L19 HydrophobicContact CD-CD2 4.37Å; K17-L19 HydrophobicContact CG-CD2 4.31Å; K17-L19 PolarHBondContact O-N 3.04Å; K17-T111 PolarHBondContact NZ-O 2.91Å; K17-M113 WeakPolarHBondContact CE-O 3.19Å; K17-M113 PolarHBondContact NZ-O 2.86Å; K17-V115 HydrophobicContact CG-CG2 4.29Å
18L92.5Very high92Very high11 Ų1138.5 Ų38.56%0.05821%0.213CC..EExtended strand (participates in β ladder)trans-78.6115.5178.8-168.368.7000110.3Q7 L9 T21 D41 V115 G116Q7-L18 HydrophobicContact CB-CD1 4.33Å; L9-L18 HydrophobicContact CD1-CD1 4.08Å; L9-L18 HydrophobicContact CD2-CD1 3.95Å; L9-L18 HydrophobicContact CG-CD1 3.71Å; L18-T21 HydrophobicContact CD1-CG2 3.36Å; L18-T21 HydrophobicContact CD2-CG2 3.48Å; L18-T21 VanDerWaalsContact CD2-CG2 3.48Å; L18-T21 HydrophobicContact CG-CG2 3.5Å; L18-D41 HydrophobicContact CD2-CB 4.43Å; L18-V115 HydrophobicContact CB-CG1 4.09Å; L18-V115 WeakPolarHBondContact O-CA 3.26Å; L18-G116 PolarHBondContact O-N 2.95Å
19L93Very high91.7Very high0 Ų040.4 Ų40.40%023%0.232CC..EExtended strand (participates in β ladder)trans-97.1-45.3-177.6-60.3-174.7000112.1I8 K17 L75 F101 W110 M113 N118I8-L19 WeakPolarHBondContact O-CB 3.44Å; I8-L19 PolarHBondContact O-N 2.92Å; K17-L19 HydrophobicContact CD-CD2 4.37Å; K17-L19 HydrophobicContact CG-CD2 4.31Å; K17-L19 PolarHBondContact O-N 3.04Å; L19-L75 HydrophobicContact CD1-CD1 4.09Å; L19-F101 HydrophobicContact CB-CE1 4.47Å; L19-F101 HydrophobicContact CB-CE2 4.37Å; L19-F101 HydrophobicContact CB-CZ 3.77Å; L19-F101 HydrophobicContact CD1-CE1 3.59Å; L19-F101 HydrophobicContact CD1-CZ 3.66Å; L19-F101 HydrophobicContact CG-CZ 4.39Å; L19-W110 HydrophobicContact CD1-CB 4.05Å; L19-W110 HydrophobicContact CD1-CG 3.95Å; L19-M113 HydrophobicContact CB-CE 4.2Å; L19-M113 HydrophobicContact CD2-CB 4.14Å; L19-M113 HydrophobicContact CD2-CE 4.29Å; L19-M113 HydrophobicContact CD2-SD 4.38Å; L19-N118 PolarHBondContact O-N 3.41Å
20Q93.1Very high91.2Very high0 Ų048.7 Ų48.70%027%0.265CS..EExtended strand (participates in β ladder)trans-138138.5179.3-178.28737.800109.5Q7 I8 F101 N118 I123Q7-Q20 CarbonylContact C-O 3.57Å; Q7-Q20 WeakPolarHBondContact CA-O 3.3Å; I8-Q20 HydrophobicContact CB-CB 4.08Å; I8-Q20 HydrophobicContact CG1-CB 4.29Å; I8-Q20 PolarHBondContact N-O 3.21Å; I8-Q20 PolarHBondContact O-N 3.22Å; I8-Q20 VanDerWaalsContact O-N 3.08Å; Q20-F101 HydrophobicContact CB-CD2 4.46Å; Q20-F101 HydrophobicContact CB-CE2 4.11Å; Q20-N118 VanDerWaalsContact CA-OD1 3.28Å; Q20-N118 WeakPolarHBondContact CA-OD1 3.39Å; Q20-N118 PolarHBondContact OE1-O 2.97Å; Q20-I123 HydrophobicContact CG-CB 3.85Å; Q20-I123 HydrophobicContact CG-CG1 3.92Å; Q20-I123 HydrophobicContact CG-CG2 3.87Å
21T94Very high90.9Very high18 Ų1854.9 Ų54.911%0.1129%0.293CS..EExtended strand (participates in β ladder)trans-130.3145.316557.90000112.5Q7 L18 H23 N118Q7-T21 HydrophobicContact CB-CG2 4.22Å; Q7-T21 HydrophobicContact CG-CG2 3.9Å; L18-T21 HydrophobicContact CD1-CG2 3.36Å; L18-T21 HydrophobicContact CD2-CG2 3.48Å; L18-T21 VanDerWaalsContact CD2-CG2 3.48Å; L18-T21 HydrophobicContact CG-CG2 3.5Å; T21-H23 WeakPolarHBondContact CB-NE2 3.29Å; T21-N118 PolarHBondContact N-OD1 3.13Å
22S95Very high90.6Very high8 Ų857.7 Ų57.76%0.05631%0.307CS..EExtended strand (participates in β ladder)trans-134139.3165.1-163.80000109.1S5 L6 D124 L127S5-S22 VanDerWaalsContact CA-O 3.3Å; S5-S22 WeakPolarHBondContact CA-O 3.38Å; S5-S22 PolarHBondContact OG-O 2.82Å; L6-S22 PolarHBondContact N-O 3.17Å; L6-S22 PolarHBondContact O-N 3.48Å; S22-D124 WeakPolarHBondContact CB-OD1 3.42Å; S22-D124 WeakPolarHBondContact OG-CA 3.39Å; S22-D124 PolarHBondContact OG-OD1 2.99Å; S22-L127 VanDerWaalsContact C-CD2 3.49Å; S22-L127 VanDerWaalsContact OG-CD2 3.31Å; S22-L127 WeakPolarHBondContact OG-CD2 3.46Å
23H94.9Very high90.6Very high38 Ų3859.7 Ų59.718%0.17631%0.31CS..EExtended strand (participates in β ladder)trans-136.9139.6-176.1-55.6-86.9000111.4F4 S5 Q7 T21 L25 D41F4-H23 WeakPolarHBondContact O-CA 3.4Å; S5-H23 PolarHBondContact OG-CE1 2.75Å; S5-H23 PolarHBondContact OG-ND1 2.68Å; S5-H23 VanDerWaalsContact OG-ND1 3.12Å; Q7-H23 PolarHBondContact NE2-CE1 3.3Å; Q7-H23 VanDerWaalsContact NE2-CE1 3.29Å; T21-H23 WeakPolarHBondContact CB-NE2 3.29Å; H23-L25 HydrophobicContact CB-CD1 4.18Å; H23-L25 HydrophobicContact CB-CD2 4.46Å; H23-L25 HydrophobicContact CB-CG 4.01Å; H23-D41 IonicContact CE1-OD1 2.72Å; H23-D41 PolarHBondContact CE1-OD1 2.96Å; H23-D41 IonicContact NE2-OD1 2.67Å; H23-D41 PolarHBondContact NE2-OD1 3.29Å; H23-D41 IonicContact NE2-OD2 3.18Å
24E94.7Very high91Very high35 Ų3555 Ų5516%0.16429%0.289CS..  trans-120.2102.5171.2-179.950.2-105.600108.3F4 S26 L127 Q128F4-E24 PolarHBondContact O-N 3.17Å; E24-S26 WeakPolarHBondContact OE1-CB 3.2Å; E24-S26 PolarHBondContact OE1-N 3.14Å; E24-S26 VanDerWaalsContact OE1-N 3.07Å; E24-S26 PolarHBondContact OE1-OG 2.99Å; E24-L127 HydrophobicContact CB-CD2 4.08Å; E24-L127 HydrophobicContact CB-CG 4.46Å; E24-Q128 PolarHBondContact OE2-NE2 2.77Å
25L92.9Very high91.4Very high12 Ų1248.9 Ų48.96%0.06325%0.252CS..  trans-117.615.3-170.2-56.3174.6000112.7H23 D27 F28 R33 V36 R37 M40H23-L25 HydrophobicContact CB-CD1 4.18Å; H23-L25 HydrophobicContact CB-CD2 4.46Å; H23-L25 HydrophobicContact CB-CG 4.01Å; L25-D27 PolarHBondContact O-N 3.46Å; L25-F28 HydrophobicContact CB-CD2 4.22Å; L25-F28 HydrophobicContact CD2-CD2 4.02Å; L25-F28 HydrophobicContact CD2-CE2 4.13Å; L25-F28 PolarHBondContact O-N 3.31Å; L25-F28 VanDerWaalsContact O-N 3.14Å; L25-R33 HydrophobicContact CB-CB 4.33Å; L25-R33 HydrophobicContact CB-CG 4.05Å; L25-R33 HydrophobicContact CD1-CB 4.27Å; L25-R33 WeakPolarHBondContact CD1-O 3.18Å; L25-R33 PolarHBondContact O-NE 3.37Å; L25-R33 VanDerWaalsContact O-NE 3.08Å; L25-V36 HydrophobicContact CD2-CG1 3.8Å; L25-R37 HydrophobicContact CD1-CB 3.84Å; L25-R37 HydrophobicContact CD1-CG 4.48Å; L25-M40 HydrophobicContact CD2-CE 3.85Å; L25-M40 HydrophobicContact CD2-SD 3.77Å
26S90.9Very high91.5Very high55 Ų5547.2 Ų47.239%0.38524%0.239SC..THydrogen-bonded Turntrans-55.3-34.6-177.1420000114K2 E24 F28 R33K2-S26 PolarHBondContact NZ-OG 3.17Å; E24-S26 WeakPolarHBondContact OE1-CB 3.2Å; E24-S26 PolarHBondContact OE1-N 3.14Å; E24-S26 VanDerWaalsContact OE1-N 3.07Å; E24-S26 PolarHBondContact OE1-OG 2.99Å; S26-F28 VanDerWaalsContact C-N 3.3Å; S26-F28 PolarHBondContact O-N 3.27Å; S26-R33 PolarHBondContact O-NH2 2.96Å
27D88.6Confident91.6Very high103 Ų10352.3 Ų52.355%0.55126%0.257SS*.THydrogen-bonded Turntrans-74.6-20.6-177.9-60.8-18.9000113.6K2 L25K2-D27 WeakPolarHBondContact CD-OD2 3.36Å; K2-D27 VanDerWaalsContact CE-OD2 3.3Å; K2-D27 WeakPolarHBondContact CE-OD2 3.31Å; K2-D27 IonicContact NZ-OD1 3.3Å; K2-D27 PolarHBondContact NZ-OD1 2.81Å; K2-D27 IonicContact NZ-OD2 2.71Å; K2-D27 PolarHBondContact NZ-OD2 3.31Å; L25-D27 PolarHBondContact O-N 3.46Å
28F88.7Confident91.7Very high31 Ų3152 Ų5214%0.13626%0.255CS..SBendtrans-85.1143.3179.8-57.5-81.8000110F4 L25 S26 Y30 R33 V36 M40 Y64F4-F28 AromaticContact CD1-CE2 3.76Å; F4-F28 HydrophobicContact CD1-CE2 3.76Å; F4-F28 HydrophobicContact CD1-CZ 4.14Å; F4-F28 HydrophobicContact CE1-CE2 4.02Å; F4-F28 HydrophobicContact CE1-CZ 4.14Å; L25-F28 HydrophobicContact CB-CD2 4.22Å; L25-F28 HydrophobicContact CD2-CD2 4.02Å; L25-F28 HydrophobicContact CD2-CE2 4.13Å; L25-F28 PolarHBondContact O-N 3.31Å; L25-F28 VanDerWaalsContact O-N 3.14Å; S26-F28 VanDerWaalsContact C-N 3.3Å; S26-F28 PolarHBondContact O-N 3.27Å; F28-Y30 PolarHBondContact O-N 2.81Å; F28-R33 HydrophobicContact CB-CG 4.16Å; F28-R33 PolarHBondContact O-NE 3.32Å; F28-R33 PolarHBondContact O-NH2 3.07Å; F28-V36 HydrophobicContact CB-CG2 4.45Å; F28-V36 HydrophobicContact CD1-CG1 4.3Å; F28-V36 HydrophobicContact CD1-CG2 3.88Å; F28-V36 HydrophobicContact CD2-CG1 4.01Å; F28-V36 HydrophobicContact CE1-CG1 4.18Å; F28-V36 HydrophobicContact CE1-CG2 4.31Å; F28-V36 HydrophobicContact CE2-CG1 3.89Å; F28-V36 HydrophobicContact CG-CG1 4.21Å; F28-V36 HydrophobicContact CG-CG2 4.08Å; F28-V36 HydrophobicContact CZ-CG1 3.98Å; F28-M40 HydrophobicContact CE2-CE 4.13Å; F28-M40 HydrophobicContact CZ-CE 4.31Å; F28-Y64 HydrophobicContact CZ-CE1 4.38Å
29G89.2Confident91.7Very high40 Ų4053 Ų5341%0.41226%0.26SS..  trans-55.2139.3175.200000110.9F31 Q32 R33G29-F31 PolarHBondContact O-N 3.06Å; G29-Q32 WeakPolarHBondContact O-CA 3.49Å; G29-Q32 WeakPolarHBondContact O-CB 3.29Å; G29-Q32 PolarHBondContact O-N 2.83Å; G29-R33 PolarHBondContact O-N 3.21Å
30Y86.8Confident91.7Very high174 Ų17453.6 Ų53.668%0.68226%0.263SS*.G310 helixtrans-46.8-45.2-171.1-179.3-98.3000113.7F28 Q32 R33F28-Y30 PolarHBondContact O-N 2.81Å; Y30-Q32 VanDerWaalsContact C-N 3.32Å; Y30-Q32 PolarHBondContact O-N 3.4Å; Y30-R33 PolarHBondContact O-N 2.83Å
31F86.8Confident91.8Very high169 Ų16955 Ų5574%0.74127%0.27SS*.G310 helixtrans-73.6-18.1-178.9-59.2-70.2000114.7G29G29-F31 PolarHBondContact O-N 3.06Å
32Q88.4Confident91.8Very high87 Ų8755 Ų5541%0.40727%0.269SS..G310 helixtrans-89.3-20.9177.9-63.8175-21.900112.1G29 Y30 S34 S35 V36 F184G29-Q32 WeakPolarHBondContact O-CA 3.49Å; G29-Q32 WeakPolarHBondContact O-CB 3.29Å; G29-Q32 PolarHBondContact O-N 2.83Å; Y30-Q32 VanDerWaalsContact C-N 3.32Å; Y30-Q32 PolarHBondContact O-N 3.4Å; Q32-S34 VanDerWaalsContact C-N 3.27Å; Q32-S34 PolarHBondContact O-N 3.08Å; Q32-S35 PolarHBondContact O-N 3.42Å; Q32-V36 HydrophobicContact CB-CG2 4.46Å; Q32-V36 WeakPolarHBondContact O-CG2 3.5Å; Q32-V36 PolarHBondContact O-N 3.41Å; Q32-F184 HydrophobicContact CB-CE2 4.47Å; Q32-F184 HydrophobicContact CG-CE2 3.91Å; Q32-F184 HydrophobicContact CG-CZ 4.4Å
33R91.4Very high91.7Very high83 Ų8356.1 Ų56.131%0.31328%0.275SS..Hα-helixtrans-55.5-39.4-173.8-67.1180-178.5175.5-2.9113.1L25 S26 F28 G29 Y30 V36 R37L25-R33 HydrophobicContact CB-CB 4.33Å; L25-R33 HydrophobicContact CB-CG 4.05Å; L25-R33 HydrophobicContact CD1-CB 4.27Å; L25-R33 WeakPolarHBondContact CD1-O 3.18Å; L25-R33 PolarHBondContact O-NE 3.37Å; L25-R33 VanDerWaalsContact O-NE 3.08Å; S26-R33 PolarHBondContact O-NH2 2.96Å; F28-R33 HydrophobicContact CB-CG 4.16Å; F28-R33 PolarHBondContact O-NE 3.32Å; F28-R33 PolarHBondContact O-NH2 3.07Å; G29-R33 PolarHBondContact O-N 3.21Å; Y30-R33 PolarHBondContact O-N 2.83Å; R33-V36 PolarHBondContact O-N 2.83Å; R33-R37 WeakPolarHBondContact O-CB 3.47Å; R33-R37 PolarHBondContact O-N 3.3Å
34S92.4Very high91.7Very high56 Ų5654.3 Ų54.339%0.39227%0.267SS..Hα-helixtrans-62-48.4177.3-161.90000111.3Q32 V36 R37 E38Q32-S34 VanDerWaalsContact C-N 3.27Å; Q32-S34 PolarHBondContact O-N 3.08Å; S34-V36 PolarHBondContact O-N 3.05Å; S34-R37 WeakPolarHBondContact O-CB 3.27Å; S34-R37 PolarHBondContact O-N 3.03Å; S34-E38 WeakPolarHBondContact O-CG 3.46Å; S34-E38 PolarHBondContact O-N 3.13Å
35S92.4Very high91.7Very high2 Ų255.6 Ų55.61%0.01427%0.272CS..Hα-helixtrans-66.8-39.3179.6-61.20000112.8Q32 R37 E38 F39 S181Q32-S35 PolarHBondContact O-N 3.42Å; S35-R37 VanDerWaalsContact C-N 3.34Å; S35-R37 PolarHBondContact O-N 3.3Å; S35-E38 PolarHBondContact O-N 3.4Å; S35-F39 WeakPolarHBondContact O-CD2 3.48Å; S35-F39 PolarHBondContact O-N 2.67Å; S35-S181 WeakPolarHBondContact CA-OG 3.36Å; S35-S181 WeakPolarHBondContact CB-OG 3.38Å; S35-S181 PolarHBondContact OG-OG 3.27Å
36V92.6Very high91.7Very high15 Ų1555.4 Ų55.49%0.09127%0.271CS..Hα-helixtrans-62.7-42.7175.7176.10000110.9L25 F28 Q32 R33 S34 F39 M40L25-V36 HydrophobicContact CD2-CG1 3.8Å; F28-V36 HydrophobicContact CB-CG2 4.45Å; F28-V36 HydrophobicContact CD1-CG1 4.3Å; F28-V36 HydrophobicContact CD1-CG2 3.88Å; F28-V36 HydrophobicContact CD2-CG1 4.01Å; F28-V36 HydrophobicContact CE1-CG1 4.18Å; F28-V36 HydrophobicContact CE1-CG2 4.31Å; F28-V36 HydrophobicContact CE2-CG1 3.89Å; F28-V36 HydrophobicContact CG-CG1 4.21Å; F28-V36 HydrophobicContact CG-CG2 4.08Å; F28-V36 HydrophobicContact CZ-CG1 3.98Å; Q32-V36 HydrophobicContact CB-CG2 4.46Å; Q32-V36 WeakPolarHBondContact O-CG2 3.5Å; Q32-V36 PolarHBondContact O-N 3.41Å; R33-V36 PolarHBondContact O-N 2.83Å; S34-V36 PolarHBondContact O-N 3.05Å; V36-F39 PolarHBondContact O-N 3.2Å; V36-M40 HydrophobicContact CG1-CE 3.48Å; V36-M40 VanDerWaalsContact CG1-CE 3.48Å; V36-M40 HydrophobicContact CG1-SD 4.22Å; V36-M40 WeakPolarHBondContact O-CG 3.4Å; V36-M40 PolarHBondContact O-N 2.67Å
37R93.9Very high91.8Very high116 Ų11652.8 Ų52.844%0.43825%0.253SS..Hα-helixtrans-57.6-52.9175.3-173.1-174.6-65.6143.1-2.6111.5L25 R33 S34 S35 F39 M40 D41L25-R37 HydrophobicContact CD1-CB 3.84Å; L25-R37 HydrophobicContact CD1-CG 4.48Å; R33-R37 WeakPolarHBondContact O-CB 3.47Å; R33-R37 PolarHBondContact O-N 3.3Å; S34-R37 WeakPolarHBondContact O-CB 3.27Å; S34-R37 PolarHBondContact O-N 3.03Å; S35-R37 VanDerWaalsContact C-N 3.34Å; S35-R37 PolarHBondContact O-N 3.3Å; R37-F39 VanDerWaalsContact C-N 3.25Å; R37-F39 PolarHBondContact O-N 3.23Å; R37-M40 WeakPolarHBondContact O-CB 3.32Å; R37-M40 PolarHBondContact O-N 3.08Å; R37-M40 VanDerWaalsContact O-N 3.09Å; R37-D41 PolarHBondContact O-N 3.4Å
38E93.7Very high92.1Very high38 Ų3847.9 Ų47.918%0.17823%0.226CC..Hα-helixtrans-58.9-38.6-179.9-71.8174.1-15300111.6S34 S35 D41 F42 L177 S178 S181S34-E38 WeakPolarHBondContact O-CG 3.46Å; S34-E38 PolarHBondContact O-N 3.13Å; S35-E38 PolarHBondContact O-N 3.4Å; E38-D41 PolarHBondContact O-N 3.17Å; E38-F42 WeakPolarHBondContact O-CB 3.42Å; E38-F42 PolarHBondContact O-N 3.08Å; E38-L177 HydrophobicContact CB-CD2 3.76Å; E38-L177 WeakPolarHBondContact O-CD2 3.42Å; E38-S178 PolarHBondContact OE1-OG 2.9Å; E38-S178 WeakPolarHBondContact OE2-CB 3.47Å; E38-S178 PolarHBondContact OE2-N 2.82Å; E38-S178 PolarHBondContact OE2-OG 3.46Å; E38-S181 VanDerWaalsContact CD-OG 3.28Å; E38-S181 WeakPolarHBondContact OE2-CB 3.13Å; E38-S181 PolarHBondContact OE2-OG 2.85Å
39F92.4Very high92.4Very high33 Ų3349.8 Ų49.815%0.14524%0.236CC..Hα-helixtrans-68.8-36.7175.1-96.7-81.4000113.8S35 V36 R37 F42 T43 V171 L177 S181 Y185S35-F39 WeakPolarHBondContact O-CD2 3.48Å; S35-F39 PolarHBondContact O-N 2.67Å; V36-F39 PolarHBondContact O-N 3.2Å; R37-F39 VanDerWaalsContact C-N 3.25Å; R37-F39 PolarHBondContact O-N 3.23Å; F39-F42 HydrophobicContact CD1-CD1 4.36Å; F39-F42 HydrophobicContact CE1-CD1 4.44Å; F39-T43 VanDerWaalsContact O-CB 3.29Å; F39-T43 WeakPolarHBondContact O-CB 3.42Å; F39-T43 PolarHBondContact O-N 3.11Å; F39-T43 PolarHBondContact O-OG1 3.16Å; F39-V171 HydrophobicContact CE1-CG1 4.45Å; F39-V171 HydrophobicContact CE1-CG2 3.96Å; F39-V171 HydrophobicContact CZ-CG1 3.98Å; F39-V171 HydrophobicContact CZ-CG2 4.32Å; F39-L177 HydrophobicContact CD2-CD2 4.13Å; F39-L177 HydrophobicContact CE1-CD1 4.12Å; F39-L177 HydrophobicContact CE2-CD1 4.24Å; F39-L177 HydrophobicContact CE2-CD2 4.14Å; F39-L177 HydrophobicContact CG-CD2 4.39Å; F39-L177 HydrophobicContact CZ-CD1 3.79Å; F39-L177 HydrophobicContact CZ-CD2 4.42Å; F39-S181 VanDerWaalsContact CE2-O 3.31Å; F39-S181 WeakPolarHBondContact CE2-O 3.29Å; F39-Y185 AromaticContact CE1-CD2 3.67Å; F39-Y185 HydrophobicContact CE1-CD2 3.67Å; F39-Y185 HydrophobicContact CE1-CE2 4.4Å; F39-Y185 AromaticContact CE1-CG 3.91Å; F39-Y185 HydrophobicContact CE1-CG 3.91Å; F39-Y185 HydrophobicContact CE2-CG 4.49Å; F39-Y185 HydrophobicContact CZ-CD1 4.45Å; F39-Y185 AromaticContact CZ-CD2 3.83Å; F39-Y185 HydrophobicContact CZ-CD2 3.83Å; F39-Y185 AromaticContact CZ-CG 3.6Å; F39-Y185 HydrophobicContact CZ-CG 3.6Å
40M93.9Very high92.5Very high13 Ų1351.6 Ų51.66%0.06423%0.23CC..Hα-helixtrans-63-45.2173.9-73.1177.1-179.300110.7F4 L25 F28 V36 R37 T43 A44 I80F4-M40 HydrophobicContact CB-CE 3.51Å; F4-M40 HydrophobicContact CB-SD 4.23Å; F4-M40 HydrophobicContact CG-CE 4.18Å; L25-M40 HydrophobicContact CD2-CE 3.85Å; L25-M40 HydrophobicContact CD2-SD 3.77Å; F28-M40 HydrophobicContact CE2-CE 4.13Å; F28-M40 HydrophobicContact CZ-CE 4.31Å; V36-M40 HydrophobicContact CG1-CE 3.48Å; V36-M40 VanDerWaalsContact CG1-CE 3.48Å; V36-M40 HydrophobicContact CG1-SD 4.22Å; V36-M40 WeakPolarHBondContact O-CG 3.4Å; V36-M40 PolarHBondContact O-N 2.67Å; R37-M40 WeakPolarHBondContact O-CB 3.32Å; R37-M40 PolarHBondContact O-N 3.08Å; R37-M40 VanDerWaalsContact O-N 3.09Å; M40-T43 PolarHBondContact O-N 3.09Å; M40-A44 WeakPolarHBondContact O-CB 3.34Å; M40-A44 PolarHBondContact O-N 2.97Å; M40-I80 HydrophobicContact CB-CD1 3.91Å; M40-I80 HydrophobicContact CG-CD1 3.87Å
41D94.2Very high92.7Very high30 Ų3043.4 Ų43.416%0.1620%0.198CC..Hα-helixtrans-65.2-42.2177.8-67.2-18000112.2Q7 L18 H23 R37 E38 A44 K45Q7-D41 PolarHBondContact NE2-OD1 2.73Å; Q7-D41 PolarHBondContact OE1-OD1 2.7Å; L18-D41 HydrophobicContact CD2-CB 4.43Å; H23-D41 IonicContact CE1-OD1 2.72Å; H23-D41 PolarHBondContact CE1-OD1 2.96Å; H23-D41 IonicContact NE2-OD1 2.67Å; H23-D41 PolarHBondContact NE2-OD1 3.29Å; H23-D41 IonicContact NE2-OD2 3.18Å; R37-D41 PolarHBondContact O-N 3.4Å; E38-D41 PolarHBondContact O-N 3.17Å; D41-A44 PolarHBondContact O-N 3.33Å; D41-K45 WeakPolarHBondContact O-CG 3.34Å; D41-K45 PolarHBondContact O-N 3.5Å
42F93.6Very high93Very high17 Ų1737.6 Ų37.68%0.07518%0.182CC..Hα-helixtrans-60.5-47.7173.8169.4-105.2000111.3E38 F39 A44 K45 V46 L167 L170 V171 S174 L177E38-F42 WeakPolarHBondContact O-CB 3.42Å; E38-F42 PolarHBondContact O-N 3.08Å; F39-F42 HydrophobicContact CD1-CD1 4.36Å; F39-F42 HydrophobicContact CE1-CD1 4.44Å; F42-A44 VanDerWaalsContact C-N 3.33Å; F42-A44 PolarHBondContact O-N 2.88Å; F42-K45 PolarHBondContact O-N 2.84Å; F42-V46 HydrophobicContact CD2-CG2 4.18Å; F42-V46 HydrophobicContact CE1-CG2 4.13Å; F42-V46 HydrophobicContact CE2-CG2 3.72Å; F42-V46 HydrophobicContact CZ-CG2 3.7Å; F42-V46 WeakPolarHBondContact O-CG2 3.2Å; F42-V46 PolarHBondContact O-N 3.36Å; F42-L167 HydrophobicContact CE1-CD1 4.08Å; F42-L167 HydrophobicContact CZ-CD1 4.4Å; F42-L170 HydrophobicContact CE2-CB 4.4Å; F42-L170 HydrophobicContact CZ-CB 3.87Å; F42-V171 HydrophobicContact CD1-CG2 4.48Å; F42-V171 HydrophobicContact CE1-CG2 3.68Å; F42-V171 HydrophobicContact CZ-CG2 3.93Å; F42-S174 WeakPolarHBondContact CD2-OG 3.32Å; F42-L177 HydrophobicContact CB-CD1 4.4Å; F42-L177 HydrophobicContact CB-CD2 3.87Å; F42-L177 HydrophobicContact CB-CG 4.22Å; F42-L177 HydrophobicContact CD1-CD1 4.3Å; F42-L177 HydrophobicContact CD2-CD1 4.29Å; F42-L177 HydrophobicContact CG-CD1 4.06Å; F42-L177 HydrophobicContact CG-CD2 4.41Å; F42-L177 HydrophobicContact CG-CG 4.33Å
43T93.6Very high93.3Very high31 Ų3140.5 Ų40.519%0.1919%0.189CC..Hα-helixtrans-61.2-44.2179-57.90000110.6F39 M40 K45 V46 V47 L157F39-T43 VanDerWaalsContact O-CB 3.29Å; F39-T43 WeakPolarHBondContact O-CB 3.42Å; F39-T43 PolarHBondContact O-N 3.11Å; F39-T43 PolarHBondContact O-OG1 3.16Å; M40-T43 PolarHBondContact O-N 3.09Å; T43-K45 VanDerWaalsContact C-N 3.33Å; T43-K45 PolarHBondContact O-N 2.51Å; T43-V46 PolarHBondContact O-N 2.82Å; T43-V47 HydrophobicContact CG2-CG2 4.1Å; T43-V47 VanDerWaalsContact O-CG2 3.26Å; T43-V47 WeakPolarHBondContact O-CG2 3.31Å; T43-V47 PolarHBondContact O-N 3.03Å; T43-L157 HydrophobicContact CG2-CD1 4.45Å; T43-L157 HydrophobicContact CG2-CD2 4.24Å
44A95Very high93.3Very high0 Ų041 Ų410%020%0.204CC..Hα-helixtrans-61.2-40.6178.400000112.7L9 M40 D41 F42 C48 V78L9-A44 HydrophobicContact CD1-CB 4.04Å; L9-A44 HydrophobicContact CD2-CB 4.39Å; M40-A44 WeakPolarHBondContact O-CB 3.34Å; M40-A44 PolarHBondContact O-N 2.97Å; D41-A44 PolarHBondContact O-N 3.33Å; F42-A44 VanDerWaalsContact C-N 3.33Å; F42-A44 PolarHBondContact O-N 2.88Å; A44-C48 WeakPolarHBondContact O-CB 3.11Å; A44-C48 PolarHBondContact O-N 3.43Å; A44-V78 HydrophobicContact CB-CB 4.02Å; A44-V78 HydrophobicContact CB-CG1 3.78Å; A44-V78 HydrophobicContact CB-CG2 4.12Å
45K93.7Very high93.4Very high63 Ų6340.8 Ų40.827%0.27420%0.197SC..Hα-helixtrans-62.1-51.6173.7-73.9176.4179.4177.10111.9L9 A16 D41 F42 T43 V47 C48 E49L9-K45 HydrophobicContact CD2-CB 4.49Å; L9-K45 HydrophobicContact CD2-CG 3.87Å; A16-K45 HydrophobicContact CB-CB 4.36Å; A16-K45 HydrophobicContact CB-CG 4.41Å; D41-K45 WeakPolarHBondContact O-CG 3.34Å; D41-K45 PolarHBondContact O-N 3.5Å; F42-K45 PolarHBondContact O-N 2.84Å; T43-K45 VanDerWaalsContact C-N 3.33Å; T43-K45 PolarHBondContact O-N 2.51Å; K45-V47 PolarHBondContact O-N 3.34Å; K45-C48 WeakPolarHBondContact O-CB 3.3Å; K45-C48 PolarHBondContact O-N 3.42Å; K45-E49 WeakPolarHBondContact O-CG 3.44Å; K45-E49 PolarHBondContact O-N 3.22Å
46V93Very high93.5Very high7 Ų741.4 Ų41.44%0.04220%0.199CC..Hα-helixtrans-58.8-47.7-179.41730000110.8F42 T43 C48 E49 R50 L157 L161F42-V46 HydrophobicContact CD2-CG2 4.18Å; F42-V46 HydrophobicContact CE1-CG2 4.13Å; F42-V46 HydrophobicContact CE2-CG2 3.72Å; F42-V46 HydrophobicContact CZ-CG2 3.7Å; F42-V46 WeakPolarHBondContact O-CG2 3.2Å; F42-V46 PolarHBondContact O-N 3.36Å; T43-V46 PolarHBondContact O-N 2.82Å; V46-C48 PolarHBondContact O-N 2.8Å; V46-E49 PolarHBondContact O-N 2.81Å; V46-R50 HydrophobicContact CG1-CG 4.49Å; V46-R50 VanDerWaalsContact O-CG 3.32Å; V46-R50 WeakPolarHBondContact O-CG 3.35Å; V46-R50 PolarHBondContact O-N 3.26Å; V46-L157 HydrophobicContact CG1-CD1 4.2Å; V46-L161 HydrophobicContact CG1-CD2 4.36Å
47V94.3Very high93.6Very high0 Ų040.7 Ų40.70%019%0.194CC..Hα-helixtrans-67.5-38.6-178.5-175.70000111.3T43 K45 E49 R50 T51 I59 V68 L157 L160T43-V47 HydrophobicContact CG2-CG2 4.1Å; T43-V47 VanDerWaalsContact O-CG2 3.26Å; T43-V47 WeakPolarHBondContact O-CG2 3.31Å; T43-V47 PolarHBondContact O-N 3.03Å; K45-V47 PolarHBondContact O-N 3.34Å; V47-E49 VanDerWaalsContact C-N 3.33Å; V47-E49 PolarHBondContact O-N 2.83Å; V47-R50 PolarHBondContact O-N 3.37Å; V47-T51 WeakPolarHBondContact O-CB 3.45Å; V47-T51 PolarHBondContact O-N 3.2Å; V47-T51 PolarHBondContact O-OG1 3.07Å; V47-I59 HydrophobicContact CG1-CD1 3.42Å; V47-I59 VanDerWaalsContact CG1-CD1 3.42Å; V47-I59 HydrophobicContact CG1-CG1 4.05Å; V47-I59 HydrophobicContact CG2-CD1 4.44Å; V47-I59 HydrophobicContact CG2-CG1 4.3Å; V47-V68 HydrophobicContact CB-CG2 4.02Å; V47-V68 HydrophobicContact CG1-CB 3.91Å; V47-V68 HydrophobicContact CG1-CG1 4.18Å; V47-V68 HydrophobicContact CG1-CG2 3.24Å; V47-L157 HydrophobicContact CG2-CD1 3.59Å; V47-L160 HydrophobicContact CB-CD1 4.27Å; V47-L160 HydrophobicContact CG1-CD1 3.88Å; V47-L160 HydrophobicContact CG2-CD1 3.9Å
48C94.9Very high93.6Very high0 Ų036.2 Ų36.20%018%0.179CC..Hα-helixtrans-60.1-42.6173.6179.70000111.9L9 K11 A16 A44 K45 V46 R50 C76L9-C48 HydrophobicContact CD2-CB 4.21Å; K11-C48 PolarHBondContact NZ-O 2.91Å; A16-C48 HydrophobicContact CB-CB 3.82Å; A44-C48 WeakPolarHBondContact O-CB 3.11Å; A44-C48 PolarHBondContact O-N 3.43Å; K45-C48 WeakPolarHBondContact O-CB 3.3Å; K45-C48 PolarHBondContact O-N 3.42Å; V46-C48 PolarHBondContact O-N 2.8Å; C48-R50 PolarHBondContact O-N 2.94Å; C48-C76 HydrophobicContact CB-CB 4.43Å; C48-C76 WeakPolarHBondContact SG-CB 3.23Å; C48-C76 PolarHBondContact SG-SG 2.97Å
49E93.1Very high93.7Very high72 Ų7234.5 Ų34.534%0.33617%0.171SC..Hα-helixtrans-65.5-36.5178.5-74.8171.3-175.200112.7K11 S15 A16 K45 V46 V47K11-E49 VanDerWaalsContact NZ-C 3.25Å; K11-E49 PolarHBondContact NZ-O 2.54Å; S15-E49 WeakPolarHBondContact CA-OE1 3.45Å; A16-E49 HydrophobicContact CB-CG 3.81Å; A16-E49 PolarHBondContact N-OE1 3.03Å; K45-E49 WeakPolarHBondContact O-CG 3.44Å; K45-E49 PolarHBondContact O-N 3.22Å; V46-E49 PolarHBondContact O-N 2.81Å; V47-E49 VanDerWaalsContact C-N 3.33Å; V47-E49 PolarHBondContact O-N 2.83Å
50R91.4Very high93.8Very high77 Ų7737.4 Ų37.429%0.29118%0.183SC..Hα-helixtrans-90.5-16.6-176.8-57.1-56.4167.8126.83114.8V46 V47 C48 L160 S162 E165V46-R50 HydrophobicContact CG1-CG 4.49Å; V46-R50 VanDerWaalsContact O-CG 3.32Å; V46-R50 WeakPolarHBondContact O-CG 3.35Å; V46-R50 PolarHBondContact O-N 3.26Å; V47-R50 PolarHBondContact O-N 3.37Å; C48-R50 PolarHBondContact O-N 2.94Å; R50-L160 HydrophobicContact CB-CB 3.95Å; R50-L160 HydrophobicContact CB-CD2 4.19Å; R50-L160 HydrophobicContact CB-CG 4.48Å; R50-L160 HydrophobicContact CG-CB 4.26Å; R50-S162 PolarHBondContact NH1-OG 2.84Å; R50-E165 IonicContact CZ-OE1 3.04Å; R50-E165 IonicContact CZ-OE2 3.14Å; R50-E165 VanDerWaalsContact CZ-OE2 3.31Å; R50-E165 IonicContact NH1-OE1 2.69Å; R50-E165 IonicContact NH1-OE2 3.67Å; R50-E165 PolarHBondContact NH1-OE2 2.96Å; R50-E165 VanDerWaalsContact NH2-CD 3.3Å; R50-E165 IonicContact NH2-OE1 2.71Å; R50-E165 PolarHBondContact NH2-OE1 3.03Å; R50-E165 IonicContact NH2-OE2 3.8Å; R50-E165 PolarHBondContact NH2-OE2 2.71Å; R50-E165 VanDerWaalsContact NH2-OE2 3.14Å
51T93Very high93.5Very high2 Ų239.9 Ų39.91%0.01220%0.195CC..SBendtrans-81.6133.3174.9-53.30000110.1K11 V47 Q55 A57 V68 V70K11-T51 VanDerWaalsContact CE-O 3.25Å; K11-T51 WeakPolarHBondContact CE-O 3.37Å; K11-T51 PolarHBondContact NZ-O 3.16Å; K11-T51 VanDerWaalsContact NZ-O 3.17Å; V47-T51 WeakPolarHBondContact O-CB 3.45Å; V47-T51 PolarHBondContact O-N 3.2Å; V47-T51 PolarHBondContact O-OG1 3.07Å; T51-Q55 HydrophobicContact CG2-CB 4.01Å; T51-Q55 HydrophobicContact CG2-CG 4.18Å; T51-A57 HydrophobicContact CG2-CB 4.2Å; T51-V68 HydrophobicContact CG2-CG1 4.2Å; T51-V70 HydrophobicContact CG2-CB 4.47Å; T51-V70 HydrophobicContact CG2-CG2 3.64Å
52A92.5Very high93.1Very high48 Ų4844.4 Ų44.440%0.39722%0.215SC..PPolyproline II helixtrans-71.6163.8178.900000111.5Q55 V70A52-Q55 HydrophobicContact CB-CB 4.31Å; A52-Q55 VanDerWaalsContact O-CB 3.26Å; A52-Q55 WeakPolarHBondContact O-CB 3.21Å; A52-V70 WeakPolarHBondContact O-CB 3.34Å
53R93.4Very high92.9Very high148 Ų14848.4 Ų48.456%0.55824%0.237SC*.THydrogen-bonded Turntrans-66.1148.5174.3-62.1-172.7-71.9-164.9-11.8110.8Q55 N74R53-Q55 PolarHBondContact O-N 3.14Å; R53-N74 WeakPolarHBondContact CD-OD1 3.49Å; R53-N74 WeakPolarHBondContact CG-OD1 3.39Å
54C92.8Very high92.8Very high93 Ų9351 Ų5163%0.62824%0.244SC*.THydrogen-bonded Turntrans57.632.7-177.4-56.10000113.7V70 H72C54-V70 CarbonylContact C-O 3.45Å; C54-V70 WeakPolarHBondContact CA-O 3.46Å; C54-V70 PolarHBondContact N-O 3.31Å; C54-H72 WeakPolarHBondContact SG-CA 3.4Å; C54-H72 VanDerWaalsContact SG-CB 3.52Å
55Q93.6Very high92.9Very high52 Ų5252 Ų5224%0.24325%0.249CC..EExtended strand (participates in β ladder)trans-124.6144.1-174.2-170.2173.662.900111.4T51 A52 R53 V70 I152T51-Q55 HydrophobicContact CG2-CB 4.01Å; T51-Q55 HydrophobicContact CG2-CG 4.18Å; A52-Q55 HydrophobicContact CB-CB 4.31Å; A52-Q55 VanDerWaalsContact O-CB 3.26Å; A52-Q55 WeakPolarHBondContact O-CB 3.21Å; R53-Q55 PolarHBondContact O-N 3.14Å; Q55-V70 PolarHBondContact N-O 3.14Å; Q55-V70 PolarHBondContact O-N 3.49Å; Q55-I152 HydrophobicContact CG-CD1 4.08Å; Q55-I152 HydrophobicContact CG-CG1 4.49Å
56R94.5Very high93Very high14 Ų1449.4 Ų49.45%0.05324%0.239CC..EExtended strand (participates in β ladder)trans-108.3135167.3-68.1179.3-173.4-94.8-2.3109.6V68 Y69 Q91 T95 T149 V151 I152R56-V68 WeakPolarHBondContact CA-O 3.43Å; R56-Y69 HydrophobicContact CG-CD2 3.52Å; R56-Y69 HydrophobicContact CG-CE2 4.25Å; R56-Y69 HydrophobicContact CG-CG 4.23Å; R56-Q91 PolarHBondContact NH1-O 3.18Å; R56-T95 PolarHBondContact NH1-OG1 3.47Å; R56-T95 PolarHBondContact NH2-OG1 3.02Å; R56-T149 HydrophobicContact CG-CG2 4.43Å; R56-V151 HydrophobicContact CB-CB 4.43Å; R56-V151 HydrophobicContact CB-CG1 4.32Å; R56-V151 HydrophobicContact CB-CG2 4Å; R56-I152 PolarHBondContact O-N 2.6Å
57A94.8Very high93.2Very high0 Ų049 Ų490%024%0.237CC..EExtended strand (participates in β ladder)trans-133.1152.1176.800000110.8T51 I59 V68 I152T51-A57 HydrophobicContact CG2-CB 4.2Å; A57-I59 HydrophobicContact CB-CD1 3.95Å; A57-V68 PolarHBondContact N-O 3Å; A57-V68 PolarHBondContact O-N 3.15Å; A57-I152 CarbonylContact C-O 3.56Å; A57-I152 VanDerWaalsContact CA-O 3.24Å; A57-I152 WeakPolarHBondContact CA-O 3.38Å
58Q94.9Very high93.3Very high22 Ų2249 Ų4910%0.10324%0.237CC..EExtended strand (participates in β ladder)trans-128.1123.9169.5-83.6-177.7-86.500108.3C66 H67 V151 I152 L153 H154Q58-C66 CarbonylContact C-O 3.59Å; Q58-C66 WeakPolarHBondContact CA-O 3.34Å; Q58-H67 WeakPolarHBondContact CG-ND1 3.41Å; Q58-H67 PolarHBondContact NE2-CE1 2.96Å; Q58-V151 HydrophobicContact CB-CG1 4.16Å; Q58-V151 HydrophobicContact CG-CG1 3.73Å; Q58-I152 PolarHBondContact N-O 3.45Å; Q58-L153 HydrophobicContact CB-CD2 3.77Å; Q58-L153 WeakPolarHBondContact O-CA 3.36Å; Q58-H154 PolarHBondContact O-N 3.14Å
59I95Very high93.3Very high3 Ų350.9 Ų50.92%0.01524%0.244CC..EExtended strand (participates in β ladder)trans-113.3113.2-179.2-5666.7000106.4V47 A57 C66 V68 H154 L157 L160V47-I59 HydrophobicContact CG1-CD1 3.42Å; V47-I59 VanDerWaalsContact CG1-CD1 3.42Å; V47-I59 HydrophobicContact CG1-CG1 4.05Å; V47-I59 HydrophobicContact CG2-CD1 4.44Å; V47-I59 HydrophobicContact CG2-CG1 4.3Å; A57-I59 HydrophobicContact CB-CD1 3.95Å; I59-C66 HydrophobicContact CB-CB 4.21Å; I59-C66 PolarHBondContact N-O 3.48Å; I59-C66 PolarHBondContact O-N 2.82Å; I59-V68 HydrophobicContact CD1-CG2 4.41Å; I59-H154 WeakPolarHBondContact CA-O 3.33Å; I59-H154 HydrophobicContact CB-CB 4.34Å; I59-H154 HydrophobicContact CG1-CB 4.03Å; I59-H154 HydrophobicContact CG2-CB 4.33Å; I59-L157 HydrophobicContact CG2-CB 4.35Å; I59-L160 HydrophobicContact CD1-CD1 4.13Å; I59-L160 HydrophobicContact CG1-CD1 3.48Å; I59-L160 VanDerWaalsContact CG1-CD1 3.48Å; I59-L160 HydrophobicContact CG1-CG 4.31Å
60K93.5Very high93.4Very high94 Ų9447.5 Ų47.541%0.40923%0.228SC..EExtended strand (participates in β ladder)trans-80.5135.6170.8-171.7169.9-177.4168.90108.6Q62 H154 N155 T156K60-Q62 WeakPolarHBondContact CE-O 3.31Å; K60-H154 PolarHBondContact N-O 2.96Å; K60-N155 CarbonylContact O-C 3.57Å; K60-N155 VanDerWaalsContact O-C 3.27Å; K60-T156 VanDerWaalsContact O-CA 3.23Å; K60-T156 WeakPolarHBondContact O-CA 3.25Å; K60-T156 PolarHBondContact O-N 3.23Å
61Q87.7Confident93.6Very high64 Ų6445.5 Ų45.530%0.29922%0.221SC..EExtended strand (participates in β ladder)trans-142.699.6171.7-170.170.219.800108.3D63 Y64Q61-D63 PolarHBondContact O-N 3.43Å; Q61-Y64 PolarHBondContact N-O 3.45Å; Q61-Y64 PolarHBondContact O-N 3.06Å
62Q86.1Confident93.6Very high126 Ų12651.8 Ų51.859%0.58925%0.249SC*.THydrogen-bonded Turntrans55.1-121.2-172.2-56.7178-50.100110.8K60 Y64K60-Q62 WeakPolarHBondContact CE-O 3.31Å; Q62-Y64 VanDerWaalsContact C-N 3.33Å
63D89.2Confident93.6Very high101 Ų10151.2 Ų51.254%0.5424%0.24SC..THydrogen-bonded Turntrans-87.7-0.5-179.9-58.2-50.4000113.7Q61 Q83Q61-D63 PolarHBondContact O-N 3.43Å; D63-Q83 PolarHBondContact O-N 3.34Å
64Y93.2Very high93.7Very high84 Ų8445.4 Ų45.433%0.32922%0.22SC..EExtended strand (participates in β ladder)trans-103.7145.4179.8-55.1-81.9000111.1F4 F28 Q61 Q62 C81F4-Y64 AromaticContact CD2-CD1 3.84Å; F4-Y64 HydrophobicContact CD2-CD1 3.84Å; F4-Y64 HydrophobicContact CD2-CE1 4.01Å; F4-Y64 HydrophobicContact CE1-CE1 4.49Å; F4-Y64 AromaticContact CE2-CD1 3.49Å; F4-Y64 HydrophobicContact CE2-CD1 3.49Å; F4-Y64 VanDerWaalsContact CE2-CD1 3.49Å; F4-Y64 AromaticContact CE2-CE1 3.46Å; F4-Y64 HydrophobicContact CE2-CE1 3.46Å; F4-Y64 VanDerWaalsContact CE2-CE1 3.46Å; F4-Y64 HydrophobicContact CZ-CD1 4.24Å; F4-Y64 AromaticContact CZ-CE1 3.74Å; F4-Y64 HydrophobicContact CZ-CE1 3.74Å; F28-Y64 HydrophobicContact CZ-CE1 4.38Å; Q61-Y64 PolarHBondContact N-O 3.45Å; Q61-Y64 PolarHBondContact O-N 3.06Å; Q62-Y64 VanDerWaalsContact C-N 3.33Å; Y64-C81 WeakPolarHBondContact CA-O 3.5Å
65I95.4Very high93.8Very high21 Ų2141 Ų4111%0.10819%0.19CC..EExtended strand (participates in β ladder)trans-121.3129.2170.9-57.2-175.7000108.6H67 C81 Q83I65-H67 VanDerWaalsContact CG2-NE2 3.32Å; I65-H67 WeakPolarHBondContact CG2-NE2 3.44Å; I65-C81 PolarHBondContact N-O 3.01Å; I65-C81 PolarHBondContact O-N 3.19Å; I65-Q83 HydrophobicContact CD1-CB 3.91Å; I65-Q83 HydrophobicContact CG1-CB 4.06Å
66C96.5Very high93.9Very high9 Ų938.5 Ų38.56%0.06118%0.178CC..EExtended strand (participates in β ladder)trans-103.1113.9171.4-178.30000109Q58 I59 V78 L79 I80Q58-C66 CarbonylContact C-O 3.59Å; Q58-C66 WeakPolarHBondContact CA-O 3.34Å; I59-C66 HydrophobicContact CB-CB 4.21Å; I59-C66 PolarHBondContact N-O 3.48Å; I59-C66 PolarHBondContact O-N 2.82Å; C66-V78 VanDerWaalsContact SG-CG1 3.6Å; C66-L79 CarbonylContact C-O 3.54Å; C66-L79 WeakPolarHBondContact CA-O 3.43Å; C66-I80 HydrophobicContact CB-CG1 4.35Å
67H96.6Very high94Very high0 Ų037.8 Ų37.80%018%0.176CC..EExtended strand (participates in β ladder)trans-93.2130.5173.7-65.1-101.9000109.2Q58 I65 V78 L79 C81 A90 L94Q58-H67 WeakPolarHBondContact CG-ND1 3.41Å; Q58-H67 PolarHBondContact NE2-CE1 2.96Å; I65-H67 VanDerWaalsContact CG2-NE2 3.32Å; I65-H67 WeakPolarHBondContact CG2-NE2 3.44Å; H67-V78 WeakPolarHBondContact O-CA 3.22Å; H67-L79 HydrophobicContact CB-CB 4.4Å; H67-L79 HydrophobicContact CB-CD2 4.4Å; H67-L79 PolarHBondContact N-O 3.27Å; H67-L79 PolarHBondContact O-N 2.9Å; H67-C81 VanDerWaalsContact CD2-SG 3.5Å; H67-C81 PolarHBondContact NE2-SG 3.37Å; H67-A90 HydrophobicContact CB-CB 4.39Å; H67-L94 HydrophobicContact CB-CD1 3.7Å
68V96.6Very high94.2Very high0 Ų037.9 Ų37.90%018%0.176CC..EExtended strand (participates in β ladder)trans-130.3139.3178.7176.70000110.8V47 T51 R56 A57 I59 V70 G77 V78V47-V68 HydrophobicContact CB-CG2 4.02Å; V47-V68 HydrophobicContact CG1-CB 3.91Å; V47-V68 HydrophobicContact CG1-CG1 4.18Å; V47-V68 HydrophobicContact CG1-CG2 3.24Å; T51-V68 HydrophobicContact CG2-CG1 4.2Å; R56-V68 WeakPolarHBondContact CA-O 3.43Å; A57-V68 PolarHBondContact N-O 3Å; A57-V68 PolarHBondContact O-N 3.15Å; I59-V68 HydrophobicContact CD1-CG2 4.41Å; V68-V70 HydrophobicContact CG1-CG2 4.19Å; V68-G77 WeakPolarHBondContact CA-O 3.33Å; V68-V78 HydrophobicContact CG1-CG2 4.33Å; V68-V78 HydrophobicContact CG2-CB 4.28Å; V68-V78 HydrophobicContact CG2-CG1 3.99Å; V68-V78 HydrophobicContact CG2-CG2 3.8Å
69Y95.8Very high94.3Very high39 Ų3936.8 Ų36.815%0.15317%0.171CC..EExtended strand (participates in β ladder)trans-135.3113.8173.4172.5-133.4000109.6R56 R71 C76 G77R56-Y69 HydrophobicContact CG-CD2 3.52Å; R56-Y69 HydrophobicContact CG-CE2 4.25Å; R56-Y69 HydrophobicContact CG-CG 4.23Å; Y69-R71 HydrophobicContact CE1-CB 4.34Å; Y69-R71 HydrophobicContact CE1-CG 4.44Å; Y69-C76 CarbonylContact O-C 3.27Å; Y69-C76 WeakPolarHBondContact O-CA 3.33Å; Y69-G77 PolarHBondContact N-O 3.33Å; Y69-G77 PolarHBondContact O-N 3.38Å
70V95.8Very high94.4Very high0 Ų037.3 Ų37.30%017%0.173CC..EExtended strand (participates in β ladder)trans-100.8116.4172.9-1740000108.8K11 T51 A52 C54 Q55 V68 C76K11-V70 HydrophobicContact CD-CG1 4.02Å; T51-V70 HydrophobicContact CG2-CB 4.47Å; T51-V70 HydrophobicContact CG2-CG2 3.64Å; A52-V70 WeakPolarHBondContact O-CB 3.34Å; C54-V70 CarbonylContact C-O 3.45Å; C54-V70 WeakPolarHBondContact CA-O 3.46Å; C54-V70 PolarHBondContact N-O 3.31Å; Q55-V70 PolarHBondContact N-O 3.14Å; Q55-V70 PolarHBondContact O-N 3.49Å; V68-V70 HydrophobicContact CG1-CG2 4.19Å; V70-C76 HydrophobicContact CG2-CB 4.25Å
71R94.1Very high94.5Very high36 Ų3632.8 Ų32.814%0.13615%0.154CC..  trans-79.2165.7179.7-160.6168.986.7167.76.8111.3Y69 D73 N74 L75Y69-R71 HydrophobicContact CE1-CB 4.34Å; Y69-R71 HydrophobicContact CE1-CG 4.44Å; R71-D73 WeakPolarHBondContact CB-OD1 3.17Å; R71-D73 WeakPolarHBondContact CG-OD1 3.41Å; R71-D73 IonicContact CZ-OD1 3.34Å; R71-D73 IonicContact CZ-OD2 3Å; R71-D73 VanDerWaalsContact CZ-OD2 3.3Å; R71-D73 IonicContact NE-OD1 3.33Å; R71-D73 PolarHBondContact NE-OD1 3.31Å; R71-D73 IonicContact NE-OD2 4Å; R71-D73 PolarHBondContact NE-OD2 3.37Å; R71-D73 IonicContact NH2-OD1 2.82Å; R71-D73 IonicContact NH2-OD2 3.11Å; R71-D73 PolarHBondContact NH2-OD2 2.92Å; R71-D73 PolarHBondContact O-N 3.35Å; R71-N74 PolarHBondContact O-N 2.92Å; R71-N74 VanDerWaalsContact O-N 3.16Å; R71-L75 HydrophobicContact CB-CB 4.42Å; R71-L75 VanDerWaalsContact CB-O 3.25Å; R71-L75 WeakPolarHBondContact CB-O 3.47Å; R71-L75 PolarHBondContact N-O 2.94Å
72H92.8Very high94.8Very high133 Ų13331 Ų3162%0.61615%0.146SC*.THydrogen-bonded Turntrans-60.9-28.1-177.268.6-70.1000114.7C54 N74C54-H72 WeakPolarHBondContact SG-CA 3.4Å; C54-H72 VanDerWaalsContact SG-CB 3.52Å; H72-N74 VanDerWaalsContact C-N 3.31Å
73D93.9Very high95.1Very high37 Ų3729 Ų2920%0.19814%0.137CC..THydrogen-bonded Turntrans-95.32117959.8-12.1000113R71 L75 W110R71-D73 WeakPolarHBondContact CB-OD1 3.17Å; R71-D73 WeakPolarHBondContact CG-OD1 3.41Å; R71-D73 IonicContact CZ-OD1 3.34Å; R71-D73 IonicContact CZ-OD2 3Å; R71-D73 VanDerWaalsContact CZ-OD2 3.3Å; R71-D73 IonicContact NE-OD1 3.33Å; R71-D73 PolarHBondContact NE-OD1 3.31Å; R71-D73 IonicContact NE-OD2 4Å; R71-D73 PolarHBondContact NE-OD2 3.37Å; R71-D73 IonicContact NH2-OD1 2.82Å; R71-D73 IonicContact NH2-OD2 3.11Å; R71-D73 PolarHBondContact NH2-OD2 2.92Å; R71-D73 PolarHBondContact O-N 3.35Å; D73-L75 PolarHBondContact O-N 3.47Å; D73-W110 HydrophobicContact CB-CZ3 4.3Å; D73-W110 VanDerWaalsContact OD2-CH2 3.25Å; D73-W110 WeakPolarHBondContact OD2-CH2 3.5Å
74N94.1Very high95.3Very high25 Ų2530.7 Ų30.713%0.13414%0.142CC..SBendtrans67.37.1-179.9-55.4-39000116.1Y10 K11 R53 R71 H72 C76Y10-N74 HydrophobicContact CD2-CB 4.16Å; Y10-N74 HydrophobicContact CE2-CB 3.76Å; K11-N74 HydrophobicContact CB-CB 4.14Å; K11-N74 WeakPolarHBondContact CB-O 3.42Å; K11-N74 PolarHBondContact N-O 2.99Å; K11-N74 WeakPolarHBondContact O-CB 3.36Å; R53-N74 WeakPolarHBondContact CD-OD1 3.49Å; R53-N74 WeakPolarHBondContact CG-OD1 3.39Å; R71-N74 PolarHBondContact O-N 2.92Å; R71-N74 VanDerWaalsContact O-N 3.16Å; H72-N74 VanDerWaalsContact C-N 3.31Å; N74-C76 PolarHBondContact O-N 3.21Å
75L95.4Very high95.4Very high0 Ų026.7 Ų26.70%013%0.126CC..EExtended strand (participates in β ladder)trans-72.7127.1170.1-163.667.6000109.3I8 L19 R71 D73 T98 F101 A102 W110I8-L75 HydrophobicContact CG2-CD1 3.63Å; I8-L75 HydrophobicContact CG2-CD2 4.48Å; I8-L75 HydrophobicContact CG2-CG 4.05Å; L19-L75 HydrophobicContact CD1-CD1 4.09Å; R71-L75 HydrophobicContact CB-CB 4.42Å; R71-L75 VanDerWaalsContact CB-O 3.25Å; R71-L75 WeakPolarHBondContact CB-O 3.47Å; R71-L75 PolarHBondContact N-O 2.94Å; D73-L75 PolarHBondContact O-N 3.47Å; L75-T98 HydrophobicContact CD2-CG2 4.4Å; L75-T98 VanDerWaalsContact CD2-O 3.27Å; L75-T98 WeakPolarHBondContact CD2-O 3.16Å; L75-T98 HydrophobicContact CG-CG2 4.46Å; L75-F101 HydrophobicContact CD1-CD1 3.96Å; L75-F101 HydrophobicContact CD1-CE1 4.02Å; L75-F101 HydrophobicContact CD2-CD1 3.99Å; L75-A102 HydrophobicContact CD2-CB 4.13Å; L75-W110 HydrophobicContact CB-CH2 4.09Å; L75-W110 HydrophobicContact CB-CZ3 4.08Å; L75-W110 HydrophobicContact CD1-CD2 4.22Å; L75-W110 HydrophobicContact CD1-CE3 4.31Å; L75-W110 HydrophobicContact CD1-CH2 4.29Å; L75-W110 HydrophobicContact CD1-CZ2 4.21Å; L75-W110 HydrophobicContact CD1-CZ3 4.34Å; L75-W110 HydrophobicContact CD2-CH2 4.16Å; L75-W110 HydrophobicContact CD2-CZ2 4.13Å; L75-W110 HydrophobicContact CG-CH2 4.43Å
76C96.4Very high95.3Very high0 Ų027.9 Ų27.90%014%0.135CC..EExtended strand (participates in β ladder)trans-117.8127.1-176.5179.60000110I8 L9 C48 Y69 V70 N74I8-C76 CarbonylContact C-O 3.46Å; I8-C76 WeakPolarHBondContact CA-O 3.25Å; L9-C76 HydrophobicContact CB-CB 4.24Å; L9-C76 PolarHBondContact N-O 3.3Å; L9-C76 PolarHBondContact O-N 3.05Å; C48-C76 HydrophobicContact CB-CB 4.43Å; C48-C76 WeakPolarHBondContact SG-CB 3.23Å; C48-C76 PolarHBondContact SG-SG 2.97Å; Y69-C76 CarbonylContact O-C 3.27Å; Y69-C76 WeakPolarHBondContact O-CA 3.33Å; V70-C76 HydrophobicContact CG2-CB 4.25Å; N74-C76 PolarHBondContact O-N 3.21Å
77G97Very high95Very high0 Ų030.3 Ų30.30%015%0.151CC..EExtended strand (participates in β ladder)trans-102131.7168.200000110.1V68 Y69 L94V68-G77 WeakPolarHBondContact CA-O 3.33Å; Y69-G77 PolarHBondContact N-O 3.33Å; Y69-G77 PolarHBondContact O-N 3.38Å; G77-L94 VanDerWaalsContact C-CD2 3.44Å
78V97.6Very high94.6Very high1 Ų134.7 Ų34.71%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-123.1130.2173.9179.80000109.1Q7 L9 A44 C66 H67 V68 I80Q7-V78 HydrophobicContact CB-CB 4.47Å; Q7-V78 PolarHBondContact N-O 3.48Å; Q7-V78 PolarHBondContact O-N 3.5Å; L9-V78 HydrophobicContact CD1-CB 4.18Å; L9-V78 HydrophobicContact CD1-CG2 3.73Å; A44-V78 HydrophobicContact CB-CB 4.02Å; A44-V78 HydrophobicContact CB-CG1 3.78Å; A44-V78 HydrophobicContact CB-CG2 4.12Å; C66-V78 VanDerWaalsContact SG-CG1 3.6Å; H67-V78 WeakPolarHBondContact O-CA 3.22Å; V68-V78 HydrophobicContact CG1-CG2 4.33Å; V68-V78 HydrophobicContact CG2-CB 4.28Å; V68-V78 HydrophobicContact CG2-CG1 3.99Å; V68-V78 HydrophobicContact CG2-CG2 3.8Å; V78-I80 HydrophobicContact CG1-CG1 4.43Å
79L97.4Very high94.4Very high0 Ų035.4 Ų35.40%017%0.171CC..EExtended strand (participates in β ladder)trans-131.5124.5177.5177.8121.9000109.5L3 S5 L6 C66 H67 C81 A90 L93 L94L3-L79 HydrophobicContact CD1-CD1 4.3Å; L3-L79 HydrophobicContact CD2-CD1 3.93Å; L3-L79 HydrophobicContact CD2-CD2 3.74Å; L3-L79 HydrophobicContact CD2-CG 4.08Å; S5-L79 CarbonylContact O-C 3.59Å; S5-L79 WeakPolarHBondContact O-CA 3.47Å; L6-L79 HydrophobicContact CB-CD1 4.31Å; L6-L79 HydrophobicContact CD1-CB 4.22Å; L6-L79 HydrophobicContact CD1-CD1 3.84Å; C66-L79 CarbonylContact C-O 3.54Å; C66-L79 WeakPolarHBondContact CA-O 3.43Å; H67-L79 HydrophobicContact CB-CB 4.4Å; H67-L79 HydrophobicContact CB-CD2 4.4Å; H67-L79 PolarHBondContact N-O 3.27Å; H67-L79 PolarHBondContact O-N 2.9Å; L79-C81 HydrophobicContact CD2-CB 4.34Å; L79-A90 HydrophobicContact CD2-CB 3.43Å; L79-A90 VanDerWaalsContact CD2-CB 3.43Å; L79-L93 HydrophobicContact CD1-CD2 3.54Å; L79-L93 HydrophobicContact CD1-CG 4.19Å; L79-L94 HydrophobicContact CB-CD1 4.41Å; L79-L94 HydrophobicContact CB-CD2 3.62Å; L79-L94 HydrophobicContact CB-CG 4.05Å
80I96.7Very high94.3Very high13 Ų1333.5 Ų33.57%0.06716%0.164CC..EExtended strand (participates in β ladder)trans-108.1124.1178.5-58173.5000107.8F4 S5 M40 C66 V78F4-I80 HydrophobicContact CB-CG2 4.43Å; F4-I80 HydrophobicContact CD2-CG2 4.43Å; F4-I80 PolarHBondContact N-O 3.04Å; S5-I80 PolarHBondContact N-O 3.06Å; S5-I80 PolarHBondContact O-N 3.06Å; M40-I80 HydrophobicContact CB-CD1 3.91Å; M40-I80 HydrophobicContact CG-CD1 3.87Å; C66-I80 HydrophobicContact CB-CG1 4.35Å; V78-I80 HydrophobicContact CG1-CG1 4.43Å
81C95.9Very high94.2Very high0 Ų033.9 Ų33.90%017%0.166CC..EExtended strand (participates in β ladder)trans-138.2173.4179.963.90000110.6K2 L3 Y64 I65 H67 L79 Y85K2-C81 VanDerWaalsContact O-CA 3.29Å; K2-C81 WeakPolarHBondContact O-CA 3.22Å; K2-C81 VanDerWaalsContact O-CB 3.31Å; K2-C81 WeakPolarHBondContact O-CB 2.85Å; L3-C81 HydrophobicContact CD2-CB 3.62Å; Y64-C81 WeakPolarHBondContact CA-O 3.5Å; I65-C81 PolarHBondContact N-O 3.01Å; I65-C81 PolarHBondContact O-N 3.19Å; H67-C81 VanDerWaalsContact CD2-SG 3.5Å; H67-C81 PolarHBondContact NE2-SG 3.37Å; L79-C81 HydrophobicContact CD2-CB 4.34Å; C81-Y85 HydrophobicContact CB-CD1 4.41Å; C81-Y85 HydrophobicContact CB-CG 4.07Å
82D94.5Very high94Very high25 Ų2532.1 Ų32.113%0.13416%0.159CC..EExtended strand (participates in β ladder)trans-74.9166.4166.463.619.1000111.6M1 K2 F4 E84 Y85M1-D82 VanDerWaalsContact CA-CG 3.45Å; M1-D82 VanDerWaalsContact CA-OD1 3.22Å; M1-D82 WeakPolarHBondContact CA-OD1 3.37Å; M1-D82 WeakPolarHBondContact CA-OD2 3.46Å; M1-D82 PolarHBondContact N-OD2 2.65Å; K2-D82 PolarHBondContact N-OD1 2.74Å; K2-D82 VanDerWaalsContact N-OD1 3.14Å; K2-D82 PolarHBondContact N-OD2 3.31Å; K2-D82 PolarHBondContact O-N 3.2Å; F4-D82 HydrophobicContact CE2-CB 4.03Å; F4-D82 HydrophobicContact CZ-CB 4.49Å; D82-E84 PolarHBondContact O-N 3.34Å; D82-E84 PolarHBondContact OD1-N 3.32Å; D82-Y85 PolarHBondContact O-N 3.11Å; D82-Y85 PolarHBondContact OD1-N 2.97Å
83Q93.3Very high94Very high85 Ų8525.8 Ų25.840%0.39713%0.13SC..THydrogen-bonded Turntrans-67.3-16.8179.668.8-178.2-13.500114.8D63 I65D63-Q83 PolarHBondContact O-N 3.34Å; I65-Q83 HydrophobicContact CD1-CB 3.91Å; I65-Q83 HydrophobicContact CG1-CB 4.06Å
84E93Very high94.1Very high136 Ų13624 Ų2464%0.63612%0.12SC*.THydrogen-bonded Turntrans-81.5-20.3178.9-61-176.6154.800112M1 D82M1-E84 HydrophobicContact CB-CB 4.18Å; M1-E84 PolarHBondContact N-OE2 3.15Å; D82-E84 PolarHBondContact O-N 3.34Å; D82-E84 PolarHBondContact OD1-N 3.32Å
85Y94.7Very high94Very high1 Ų123.3 Ų23.30%0.00412%0.117CC..SBendtrans-67129.5-179.4-163.9-85.1000111.6M1 L3 C81 D82 P87 V89 A90 Y130 P133M1-Y85 HydrophobicContact CG-CD2 3.8Å; M1-Y85 HydrophobicContact CG-CG 4.44Å; L3-Y85 HydrophobicContact CD1-CE2 4.1Å; L3-Y85 HydrophobicContact CD2-CD1 3.87Å; L3-Y85 HydrophobicContact CD2-CD2 3.73Å; L3-Y85 HydrophobicContact CD2-CE1 3.72Å; L3-Y85 HydrophobicContact CD2-CE2 3.57Å; L3-Y85 HydrophobicContact CD2-CG 3.88Å; L3-Y85 HydrophobicContact CG-CD2 4.03Å; L3-Y85 HydrophobicContact CG-CE2 3.59Å; C81-Y85 HydrophobicContact CB-CD1 4.41Å; C81-Y85 HydrophobicContact CB-CG 4.07Å; D82-Y85 PolarHBondContact O-N 3.11Å; D82-Y85 PolarHBondContact OD1-N 2.97Å; Y85-P87 VanDerWaalsContact O-CD 3.26Å; Y85-P87 WeakPolarHBondContact O-CD 3.49Å; Y85-V89 HydrophobicContact CE1-CB 4.02Å; Y85-V89 HydrophobicContact CE1-CG1 3.97Å; Y85-V89 VanDerWaalsContact OH-CG1 3.29Å; Y85-V89 WeakPolarHBondContact OH-CG1 3.39Å; Y85-A90 HydrophobicContact CD1-CB 4.06Å; Y85-A90 HydrophobicContact CE1-CB 4.07Å; Y85-Y130 WeakPolarHBondContact CE2-O 3.09Å; Y85-Y130 PolarHBondContact OH-O 2.85Å; Y85-P133 HydrophobicContact CD2-CG 4.23Å; Y85-P133 HydrophobicContact CE2-CG 3.74Å
86P92.6Very high93.9Very high45 Ų4525.5 Ų25.529%0.29213%0.126SC..  trans-59.8119.8-174.9-25.634.1000112.7R88 V89 A90 P133P86-R88 PolarHBondContact O-N 3.46Å; P86-R88 VanDerWaalsContact O-N 3.17Å; P86-V89 HydrophobicContact CB-CB 4.21Å; P86-V89 HydrophobicContact CB-CG2 3.94Å; P86-V89 HydrophobicContact CG-CG2 4.49Å; P86-V89 PolarHBondContact O-N 3.48Å; P86-V89 VanDerWaalsContact O-N 3.09Å; P86-A90 PolarHBondContact O-N 3.29Å; P86-A90 VanDerWaalsContact O-N 3.11Å; P86-P133 HydrophobicContact CG-CB 4.02Å; P86-P133 HydrophobicContact CG-CG 4.03Å
87P91.2Very high93.7Very high60 Ų6025.5 Ų25.539%0.3913%0.126SC..Hα-helixtrans-57.6-36.4-177-31.738.1000114.5Y85 A90 Q91Y85-P87 VanDerWaalsContact O-CD 3.26Å; Y85-P87 WeakPolarHBondContact O-CD 3.49Å; P87-A90 WeakPolarHBondContact O-CB 3.28Å; P87-A90 PolarHBondContact O-N 3.45Å; P87-Q91 WeakPolarHBondContact O-CG 3.36Å; P87-Q91 PolarHBondContact O-N 3.37Å
88R88.8Confident93.6Very high93 Ų9325.5 Ų25.535%0.35113%0.126SC..Hα-helixtrans-63.3-44.2179-171.1174-174.6167.12111.5P86 Q91 T92 Q143 D147P86-R88 PolarHBondContact O-N 3.46Å; P86-R88 VanDerWaalsContact O-N 3.17Å; R88-Q91 PolarHBondContact O-N 3.37Å; R88-T92 WeakPolarHBondContact O-CB 3.48Å; R88-T92 PolarHBondContact O-N 3Å; R88-T92 PolarHBondContact O-OG1 3.41Å; R88-Q143 PolarHBondContact NE-O 2.76Å; R88-Q143 VanDerWaalsContact NH2-C 3.34Å; R88-Q143 PolarHBondContact NH2-O 3.08Å; R88-D147 VanDerWaalsContact CZ-CG 3.44Å; R88-D147 IonicContact CZ-OD1 3.19Å; R88-D147 IonicContact CZ-OD2 2.63Å; R88-D147 IonicContact NE-OD1 2.84Å; R88-D147 PolarHBondContact NE-OD1 2.87Å; R88-D147 IonicContact NH1-OD1 2.73Å; R88-D147 PolarHBondContact NH1-OD1 3.17Å; R88-D147 IonicContact NH1-OD2 3.73Å; R88-D147 PolarHBondContact NH1-OD2 2.69Å; R88-D147 IonicContact NH2-OD1 3.31Å; R88-D147 PolarHBondContact NH2-OD1 3Å; R88-D147 VanDerWaalsContact NH2-OD1 3.11Å; R88-D147 IonicContact NH2-OD2 3.8Å; R88-D147 PolarHBondContact NH2-OD2 3.26Å
89V91.7Very high93.3Very high14 Ų1429.2 Ų29.29%0.08514%0.143CC..Hα-helixtrans-65.8-42.2178.3179.50000110.2Y85 P86 Q91 T92 L93 P133 A136Y85-V89 HydrophobicContact CE1-CB 4.02Å; Y85-V89 HydrophobicContact CE1-CG1 3.97Å; Y85-V89 VanDerWaalsContact OH-CG1 3.29Å; Y85-V89 WeakPolarHBondContact OH-CG1 3.39Å; P86-V89 HydrophobicContact CB-CB 4.21Å; P86-V89 HydrophobicContact CB-CG2 3.94Å; P86-V89 HydrophobicContact CG-CG2 4.49Å; P86-V89 PolarHBondContact O-N 3.48Å; P86-V89 VanDerWaalsContact O-N 3.09Å; V89-Q91 PolarHBondContact O-N 3.32Å; V89-T92 PolarHBondContact O-N 3.49Å; V89-L93 VanDerWaalsContact O-CB 3.29Å; V89-L93 WeakPolarHBondContact O-CB 3.29Å; V89-L93 PolarHBondContact O-N 2.89Å; V89-P133 HydrophobicContact CB-CB 4.43Å; V89-P133 HydrophobicContact CG1-CB 4.19Å; V89-P133 HydrophobicContact CG2-CB 4.13Å; V89-A136 HydrophobicContact CB-CB 4.5Å; V89-A136 HydrophobicContact CG1-CB 3.44Å; V89-A136 VanDerWaalsContact CG1-CB 3.44Å; V89-A136 HydrophobicContact CG2-CB 4.37Å
90A94Very high93.1Very high0 Ų029.9 Ų29.90%015%0.147CC..Hα-helixtrans-57.8-48.3175.100000112.4H67 L79 Y85 P86 P87 T92 L93 L94H67-A90 HydrophobicContact CB-CB 4.39Å; L79-A90 HydrophobicContact CD2-CB 3.43Å; L79-A90 VanDerWaalsContact CD2-CB 3.43Å; Y85-A90 HydrophobicContact CD1-CB 4.06Å; Y85-A90 HydrophobicContact CE1-CB 4.07Å; P86-A90 PolarHBondContact O-N 3.29Å; P86-A90 VanDerWaalsContact O-N 3.11Å; P87-A90 WeakPolarHBondContact O-CB 3.28Å; P87-A90 PolarHBondContact O-N 3.45Å; A90-T92 PolarHBondContact O-N 2.93Å; A90-L93 WeakPolarHBondContact O-CB 3.28Å; A90-L93 PolarHBondContact O-N 2.82Å; A90-L94 WeakPolarHBondContact O-CG 3.31Å; A90-L94 PolarHBondContact O-N 3.38Å
91Q92.2Very high93Very high7 Ų729.3 Ų29.33%0.03314%0.144CC..Hα-helixtrans-66.1-37.2178.8-71.8-65.7-9.800113R56 P87 R88 V89 L94 T95 L146 V151R56-Q91 PolarHBondContact NH1-O 3.18Å; P87-Q91 WeakPolarHBondContact O-CG 3.36Å; P87-Q91 PolarHBondContact O-N 3.37Å; R88-Q91 PolarHBondContact O-N 3.37Å; V89-Q91 PolarHBondContact O-N 3.32Å; Q91-L94 PolarHBondContact O-N 3.17Å; Q91-T95 PolarHBondContact O-N 3.4Å; Q91-T95 VanDerWaalsContact O-N 3.17Å; Q91-T95 PolarHBondContact O-OG1 2.77Å; Q91-T95 VanDerWaalsContact O-OG1 3.08Å; Q91-L146 HydrophobicContact CB-CD1 4.07Å; Q91-V151 HydrophobicContact CG-CG2 4.5Å
92T91.5Very high92.8Very high0 Ų030.3 Ų30.30%015%0.152CC..Hα-helixtrans-64.5-43.8175.4-50.50000111R88 V89 A90 L94 T95 K96 L139 L142 Q143 L146R88-T92 WeakPolarHBondContact O-CB 3.48Å; R88-T92 PolarHBondContact O-N 3Å; R88-T92 PolarHBondContact O-OG1 3.41Å; V89-T92 PolarHBondContact O-N 3.49Å; A90-T92 PolarHBondContact O-N 2.93Å; T92-L94 VanDerWaalsContact C-N 3.34Å; T92-L94 PolarHBondContact O-N 3.37Å; T92-T95 PolarHBondContact O-N 3.24Å; T92-K96 PolarHBondContact O-N 2.82Å; T92-L139 HydrophobicContact CG2-CB 3.46Å; T92-L139 VanDerWaalsContact CG2-CB 3.46Å; T92-L139 HydrophobicContact CG2-CD1 3.85Å; T92-L139 HydrophobicContact CG2-CG 4.27Å; T92-L142 HydrophobicContact CG2-CB 3.72Å; T92-L142 HydrophobicContact CG2-CD1 4.44Å; T92-Q143 HydrophobicContact CG2-CG 4.02Å; T92-Q143 WeakPolarHBondContact OG1-CG 3.26Å; T92-L146 VanDerWaalsContact CA-CD1 3.47Å; T92-L146 HydrophobicContact CG2-CD1 4.42Å; T92-L146 VanDerWaalsContact OG1-CD1 3.27Å; T92-L146 WeakPolarHBondContact OG1-CD1 3.29Å
93L93.2Very high92.7Very high0 Ų035.9 Ų35.90%018%0.182CC..Hα-helixtrans-60.9-43.4176.5179.453.7000111.6L3 L79 V89 A90 T95 K96 A97 Y126 Y130L3-L93 HydrophobicContact CD1-CD2 3.89Å; L79-L93 HydrophobicContact CD1-CD2 3.54Å; L79-L93 HydrophobicContact CD1-CG 4.19Å; V89-L93 VanDerWaalsContact O-CB 3.29Å; V89-L93 WeakPolarHBondContact O-CB 3.29Å; V89-L93 PolarHBondContact O-N 2.89Å; A90-L93 WeakPolarHBondContact O-CB 3.28Å; A90-L93 PolarHBondContact O-N 2.82Å; L93-T95 VanDerWaalsContact C-N 3.32Å; L93-T95 PolarHBondContact O-N 2.85Å; L93-K96 PolarHBondContact O-N 2.83Å; L93-A97 WeakPolarHBondContact O-CB 3.43Å; L93-A97 PolarHBondContact O-N 2.82Å; L93-Y126 HydrophobicContact CD1-CD2 4.31Å; L93-Y126 HydrophobicContact CD1-CG 4.28Å; L93-Y130 HydrophobicContact CD1-CD2 3.31Å; L93-Y130 HydrophobicContact CD1-CE2 3.56Å; L93-Y130 HydrophobicContact CD1-CG 4.16Å; L93-Y130 HydrophobicContact CD2-CD2 4.05Å; L93-Y130 HydrophobicContact CD2-CG 4.26Å; L93-Y130 HydrophobicContact CG-CD2 4.29Å
94L94.6Very high92.5Very high0 Ų035.8 Ų35.80%018%0.181CC..Hα-helixtrans-59.2-41.9175.6-73.6177.6000112.8L6 H67 G77 L79 A90 Q91 T92 T98L6-L94 HydrophobicContact CD1-CD2 4.02Å; H67-L94 HydrophobicContact CB-CD1 3.7Å; G77-L94 VanDerWaalsContact C-CD2 3.44Å; L79-L94 HydrophobicContact CB-CD1 4.41Å; L79-L94 HydrophobicContact CB-CD2 3.62Å; L79-L94 HydrophobicContact CB-CG 4.05Å; A90-L94 WeakPolarHBondContact O-CG 3.31Å; A90-L94 PolarHBondContact O-N 3.38Å; Q91-L94 PolarHBondContact O-N 3.17Å; T92-L94 VanDerWaalsContact C-N 3.34Å; T92-L94 PolarHBondContact O-N 3.37Å; L94-T98 WeakPolarHBondContact O-CB 3.32Å; L94-T98 WeakPolarHBondContact O-CG2 3.38Å; L94-T98 PolarHBondContact O-N 3.01Å; L94-T98 PolarHBondContact O-OG1 3.41Å
95T92.7Very high92.4Very high9 Ų929.9 Ų29.96%0.05516%0.155CC..Hα-helixtrans-63.8-50.9177.6-55.60000110.9R56 Q91 T92 L93 A97 T98 E99 L142R56-T95 PolarHBondContact NH1-OG1 3.47Å; R56-T95 PolarHBondContact NH2-OG1 3.02Å; Q91-T95 PolarHBondContact O-N 3.4Å; Q91-T95 VanDerWaalsContact O-N 3.17Å; Q91-T95 PolarHBondContact O-OG1 2.77Å; Q91-T95 VanDerWaalsContact O-OG1 3.08Å; T92-T95 PolarHBondContact O-N 3.24Å; L93-T95 VanDerWaalsContact C-N 3.32Å; L93-T95 PolarHBondContact O-N 2.85Å; T95-A97 VanDerWaalsContact C-N 3.35Å; T95-A97 PolarHBondContact O-N 2.85Å; T95-T98 PolarHBondContact O-N 3.01Å; T95-T98 PolarHBondContact O-OG1 2.87Å; T95-E99 WeakPolarHBondContact O-CB 3.41Å; T95-E99 WeakPolarHBondContact O-CG 3.39Å; T95-E99 PolarHBondContact O-N 2.87Å; T95-L142 HydrophobicContact CG2-CD2 4.14Å
96K92.2Very high92.1Very high46 Ų4633.3 Ų33.320%0.218%0.177CC..Hα-helixtrans-58.8-45.2176.5178159.4-176.752.60112.9T92 L93 E99 D100 Y126 L139 L142T92-K96 PolarHBondContact O-N 2.82Å; L93-K96 PolarHBondContact O-N 2.83Å; K96-E99 PolarHBondContact O-N 3.48Å; K96-D100 WeakPolarHBondContact CG-OD2 3.41Å; K96-D100 IonicContact NZ-OD2 2.7Å; K96-D100 PolarHBondContact NZ-OD2 2.82Å; K96-D100 WeakPolarHBondContact O-CB 3.39Å; K96-D100 PolarHBondContact O-N 2.85Å; K96-Y126 HydrophobicContact CD-CE2 4.42Å; K96-Y126 WeakPolarHBondContact CE-OH 3.37Å; K96-Y126 HydrophobicContact CG-CE2 3.91Å; K96-Y126 PolarHBondContact NZ-OH 2.99Å; K96-Y126 VanDerWaalsContact NZ-OH 3.16Å; K96-L139 HydrophobicContact CD-CD1 4.14Å; K96-L139 HydrophobicContact CD-CD2 3.28Å; K96-L139 HydrophobicContact CD-CG 4.36Å; K96-L142 HydrophobicContact CB-CD1 4.23Å
97A94Very high91.8Very high0 Ų033.9 Ų33.90%019%0.185CC..Hα-helixtrans-62.4-44.9-178.600000111.8L6 I8 L93 T95 F101 I123 Y126L6-A97 HydrophobicContact CD1-CB 4.3Å; L6-A97 HydrophobicContact CD2-CB 4.29Å; I8-A97 HydrophobicContact CD1-CB 4.14Å; L93-A97 WeakPolarHBondContact O-CB 3.43Å; L93-A97 PolarHBondContact O-N 2.82Å; T95-A97 VanDerWaalsContact C-N 3.35Å; T95-A97 PolarHBondContact O-N 2.85Å; A97-F101 VanDerWaalsContact O-CB 3.22Å; A97-F101 WeakPolarHBondContact O-CB 3.35Å; A97-F101 PolarHBondContact O-N 3.12Å; A97-I123 HydrophobicContact CB-CD1 3.72Å; A97-Y126 HydrophobicContact CB-CD2 4.42Å
98T93.8Very high91.6Very high0 Ų035.7 Ų35.70%020%0.2CC..Hα-helixtrans-68.2-37.9178.152.20000112.4I8 L75 L94 T95 A102I8-T98 HydrophobicContact CD1-CG2 3.96Å; L75-T98 HydrophobicContact CD2-CG2 4.4Å; L75-T98 VanDerWaalsContact CD2-O 3.27Å; L75-T98 WeakPolarHBondContact CD2-O 3.16Å; L75-T98 HydrophobicContact CG-CG2 4.46Å; L94-T98 WeakPolarHBondContact O-CB 3.32Å; L94-T98 WeakPolarHBondContact O-CG2 3.38Å; L94-T98 PolarHBondContact O-N 3.01Å; L94-T98 PolarHBondContact O-OG1 3.41Å; T95-T98 PolarHBondContact O-N 3.01Å; T95-T98 PolarHBondContact O-OG1 2.87Å; T98-A102 WeakPolarHBondContact O-CB 3.39Å; T98-A102 PolarHBondContact O-N 2.81Å
99E92.3Very high91.6Very high79 Ų7933.6 Ų33.637%0.36920%0.197SC..Hα-helixtrans-64.8-52.2173.8-73.7173.6178.300112.6T95 K96 F101 A102 L103T95-E99 WeakPolarHBondContact O-CB 3.41Å; T95-E99 WeakPolarHBondContact O-CG 3.39Å; T95-E99 PolarHBondContact O-N 2.87Å; K96-E99 PolarHBondContact O-N 3.48Å; E99-F101 PolarHBondContact O-N 2.97Å; E99-A102 PolarHBondContact O-N 3.29Å; E99-A102 VanDerWaalsContact O-N 3.14Å; E99-L103 WeakPolarHBondContact O-CG 3.24Å; E99-L103 PolarHBondContact O-N 3.44Å
100D93.1Very high91.5Very high15 Ų1533.1 Ų33.18%0.0819%0.194CC..Hα-helixtrans-63.7-31.1-179.8-86.5-57.3000112.6K96 Q104 K122 Y126K96-D100 WeakPolarHBondContact CG-OD2 3.41Å; K96-D100 IonicContact NZ-OD2 2.7Å; K96-D100 PolarHBondContact NZ-OD2 2.82Å; K96-D100 WeakPolarHBondContact O-CB 3.39Å; K96-D100 PolarHBondContact O-N 2.85Å; D100-Q104 PolarHBondContact O-N 3.31Å; D100-Q104 PolarHBondContact O-NE2 3.4Å; D100-K122 HydrophobicContact CB-CD 4.09Å; D100-K122 IonicContact OD1-NZ 3.2Å; D100-K122 PolarHBondContact OD1-NZ 3.46Å; D100-Y126 HydrophobicContact CB-CE2 4.28Å; D100-Y126 PolarHBondContact OD2-OH 3.23Å
101F93.7Very high91.1Very high0 Ų036.9 Ų36.90%022%0.217CC..Hα-helixtrans-68.6-48171.7-177.7-88.8000111.3I8 L19 Q20 L75 A97 E99 L103 Q104 C105 W110 M113 P119 C120I8-F101 HydrophobicContact CB-CD2 4.4Å; I8-F101 HydrophobicContact CG1-CB 4.48Å; I8-F101 HydrophobicContact CG1-CD2 4.32Å; I8-F101 HydrophobicContact CG1-CG 4.4Å; I8-F101 HydrophobicContact CG2-CD1 3.86Å; I8-F101 HydrophobicContact CG2-CD2 4.26Å; I8-F101 HydrophobicContact CG2-CE1 4.12Å; I8-F101 HydrophobicContact CG2-CG 3.95Å; I8-F101 HydrophobicContact CG2-CZ 4.44Å; L19-F101 HydrophobicContact CB-CE1 4.47Å; L19-F101 HydrophobicContact CB-CE2 4.37Å; L19-F101 HydrophobicContact CB-CZ 3.77Å; L19-F101 HydrophobicContact CD1-CE1 3.59Å; L19-F101 HydrophobicContact CD1-CZ 3.66Å; L19-F101 HydrophobicContact CG-CZ 4.39Å; Q20-F101 HydrophobicContact CB-CD2 4.46Å; Q20-F101 HydrophobicContact CB-CE2 4.11Å; L75-F101 HydrophobicContact CD1-CD1 3.96Å; L75-F101 HydrophobicContact CD1-CE1 4.02Å; L75-F101 HydrophobicContact CD2-CD1 3.99Å; A97-F101 VanDerWaalsContact O-CB 3.22Å; A97-F101 WeakPolarHBondContact O-CB 3.35Å; A97-F101 PolarHBondContact O-N 3.12Å; E99-F101 PolarHBondContact O-N 2.97Å; F101-L103 PolarHBondContact O-N 3.12Å; F101-Q104 PolarHBondContact O-N 2.71Å; F101-C105 HydrophobicContact CD1-CB 4.44Å; F101-C105 HydrophobicContact CE1-CB 3.94Å; F101-C105 HydrophobicContact CZ-CB 4.01Å; F101-C105 PolarHBondContact O-N 3.48Å; F101-W110 AromaticContact CE1-CD1 3.99Å; F101-W110 AromaticContact CE1-NE1 3.64Å; F101-M113 HydrophobicContact CZ-CE 4.01Å; F101-M113 HydrophobicContact CZ-SD 4.37Å; F101-P119 HydrophobicContact CE2-CG 3.75Å; F101-P119 HydrophobicContact CZ-CG 4.25Å; F101-C120 HydrophobicContact CD2-CB 3.67Å; F101-C120 HydrophobicContact CE2-CB 4.23Å
102A92.7Very high90.8Very high21 Ų2143.1 Ų43.117%0.17425%0.251CS..Hα-helixtrans-63.5-28.3179.400000113.2L75 T98 E99 C105 W110L75-A102 HydrophobicContact CD2-CB 4.13Å; T98-A102 WeakPolarHBondContact O-CB 3.39Å; T98-A102 PolarHBondContact O-N 2.81Å; E99-A102 PolarHBondContact O-N 3.29Å; E99-A102 VanDerWaalsContact O-N 3.14Å; A102-C105 CarbonylContact O-C 3.59Å; A102-W110 HydrophobicContact CB-CH2 4.45Å; A102-W110 HydrophobicContact CB-CZ2 3.98Å
103L91.9Very high90.5Very high143 Ų14344.2 Ų44.275%0.74926%0.256SS*.Hα-helixtrans-69.4-34.3172.9-72172.6000112.8E99 F101E99-L103 WeakPolarHBondContact O-CG 3.24Å; E99-L103 PolarHBondContact O-N 3.44Å; F101-L103 PolarHBondContact O-N 3.12Å
104Q89.4Confident90Very high82 Ų8247.5 Ų47.538%0.38328%0.283SS..Hα-helixtrans-86.4-34.1179.4-80.5170.269.800112.9D100 F101 C120D100-Q104 PolarHBondContact O-N 3.31Å; D100-Q104 PolarHBondContact O-NE2 3.4Å; F101-Q104 PolarHBondContact O-N 2.71Å; Q104-C120 PolarHBondContact NE2-SG 3.35Å
105C89.3Confident89.2Confident13 Ų1352 Ų529%0.08831%0.31CS..SBendtrans-122.9103.6-178-72.90000108.8F101 A102 W110 M113 P119F101-C105 HydrophobicContact CD1-CB 4.44Å; F101-C105 HydrophobicContact CE1-CB 3.94Å; F101-C105 HydrophobicContact CZ-CB 4.01Å; F101-C105 PolarHBondContact O-N 3.48Å; A102-C105 CarbonylContact O-C 3.59Å; C105-W110 PolarHBondContact O-NE1 3.31Å; C105-M113 HydrophobicContact CB-SD 4.35Å; C105-P119 WeakPolarHBondContact SG-CG 3.33Å
106P88.2Confident88.3Confident72 Ų7253 Ų5347%0.46832%0.323SS..  trans-60.8152178.1-21.131.6000112.2S108 T109 W110P106-S108 PolarHBondContact O-N 3.33Å; P106-T109 PolarHBondContact O-N 3.04Å; P106-T109 PolarHBondContact O-OG1 2.93Å; P106-W110 PolarHBondContact O-NE1 2.97Å
107A88.1Confident87.4Confident57 Ų5753.4 Ų53.447%0.47133%0.331SS..Hα-helixtrans-54.6-27.8-17800000114.6T109 W110A107-T109 PolarHBondContact O-N 3Å; A107-W110 HydrophobicContact CB-CD2 4.34Å; A107-W110 HydrophobicContact CB-CE3 4.03Å; A107-W110 HydrophobicContact CB-CH2 3.8Å; A107-W110 HydrophobicContact CB-CZ2 4.11Å; A107-W110 HydrophobicContact CB-CZ3 3.76Å
108S87Confident86.6Confident98 Ų9856.5 Ų56.569%0.68535%0.348SS*.Hα-helixtrans-65.4-21.2177.155.20000114.1P106P106-S108 PolarHBondContact O-N 3.33Å
109T88.5Confident85.9Confident50 Ų5059 Ų5931%0.30736%0.364SS..Hα-helixtrans-89.9-26.2-177.168.50000112.9P106 A107 T111 N112 M113P106-T109 PolarHBondContact O-N 3.04Å; P106-T109 PolarHBondContact O-OG1 2.93Å; A107-T109 PolarHBondContact O-N 3Å; T109-T111 VanDerWaalsContact C-N 3.31Å; T109-T111 PolarHBondContact O-N 3.46Å; T109-N112 PolarHBondContact O-N 3.09Å; T109-M113 WeakPolarHBondContact O-CG 3.35Å; T109-M113 PolarHBondContact O-N 2.54Å
110W89.2Confident85.5Confident4 Ų455.2 Ų55.22%0.01535%0.346CS..Hα-helixtrans-58-40.4-168.4-58.5-14.8000113.5Y10 L19 D73 L75 F101 A102 C105 P106 A107 N112Y10-W110 HydrophobicContact CD1-CB 4.33Å; Y10-W110 HydrophobicContact CD2-CB 4.14Å; Y10-W110 HydrophobicContact CD2-CD2 4.36Å; Y10-W110 AromaticContact CD2-CE3 3.63Å; Y10-W110 HydrophobicContact CD2-CE3 3.63Å; Y10-W110 HydrophobicContact CD2-CZ3 4.46Å; Y10-W110 AromaticContact CE2-CE3 3.7Å; Y10-W110 HydrophobicContact CE2-CE3 3.7Å; Y10-W110 HydrophobicContact CE2-CZ3 4.42Å; Y10-W110 HydrophobicContact CG-CB 4.04Å; L19-W110 HydrophobicContact CD1-CB 4.05Å; L19-W110 HydrophobicContact CD1-CG 3.95Å; D73-W110 HydrophobicContact CB-CZ3 4.3Å; D73-W110 VanDerWaalsContact OD2-CH2 3.25Å; D73-W110 WeakPolarHBondContact OD2-CH2 3.5Å; L75-W110 HydrophobicContact CB-CH2 4.09Å; L75-W110 HydrophobicContact CB-CZ3 4.08Å; L75-W110 HydrophobicContact CD1-CD2 4.22Å; L75-W110 HydrophobicContact CD1-CE3 4.31Å; L75-W110 HydrophobicContact CD1-CH2 4.29Å; L75-W110 HydrophobicContact CD1-CZ2 4.21Å; L75-W110 HydrophobicContact CD1-CZ3 4.34Å; L75-W110 HydrophobicContact CD2-CH2 4.16Å; L75-W110 HydrophobicContact CD2-CZ2 4.13Å; L75-W110 HydrophobicContact CG-CH2 4.43Å; F101-W110 AromaticContact CE1-CD1 3.99Å; F101-W110 AromaticContact CE1-NE1 3.64Å; A102-W110 HydrophobicContact CB-CH2 4.45Å; A102-W110 HydrophobicContact CB-CZ2 3.98Å; C105-W110 PolarHBondContact O-NE1 3.31Å; P106-W110 PolarHBondContact O-NE1 2.97Å; A107-W110 HydrophobicContact CB-CD2 4.34Å; A107-W110 HydrophobicContact CB-CE3 4.03Å; A107-W110 HydrophobicContact CB-CH2 3.8Å; A107-W110 HydrophobicContact CB-CZ2 4.11Å; A107-W110 HydrophobicContact CB-CZ3 3.76Å; W110-N112 VanDerWaalsContact C-N 3.29Å; W110-N112 PolarHBondContact O-N 3.33Å
111T86Confident85.3Confident79 Ų7962.1 Ų62.149%0.48538%0.376SS..THydrogen-bonded Turntrans-62.9-35.5177.9-50.40000112.2K17 T109K17-T111 PolarHBondContact NZ-O 2.91Å; T109-T111 VanDerWaalsContact C-N 3.31Å; T109-T111 PolarHBondContact O-N 3.46Å
112N85.6Confident85.2Confident138 Ų13865.6 Ų65.674%0.73839%0.391SS*.THydrogen-bonded Turntrans-99.2-12.4-173.9-64.9-28.6000113.9T109 W110T109-N112 PolarHBondContact O-N 3.09Å; W110-N112 VanDerWaalsContact C-N 3.29Å; W110-N112 PolarHBondContact O-N 3.33Å
113M85.4Confident85.2Confident23 Ų2364.6 Ų64.611%0.11338%0.383CS..SBendtrans-58.1141.9179.1-84175.362.300112.3K17 L19 F101 C105 T109 S117 P119K17-M113 WeakPolarHBondContact CE-O 3.19Å; K17-M113 PolarHBondContact NZ-O 2.86Å; L19-M113 HydrophobicContact CB-CE 4.2Å; L19-M113 HydrophobicContact CD2-CB 4.14Å; L19-M113 HydrophobicContact CD2-CE 4.29Å; L19-M113 HydrophobicContact CD2-SD 4.38Å; F101-M113 HydrophobicContact CZ-CE 4.01Å; F101-M113 HydrophobicContact CZ-SD 4.37Å; C105-M113 HydrophobicContact CB-SD 4.35Å; T109-M113 WeakPolarHBondContact O-CG 3.35Å; T109-M113 PolarHBondContact O-N 2.54Å; M113-S117 WeakPolarHBondContact CE-OG 3.34Å; M113-P119 HydrophobicContact CE-CG 3.54Å
114A81.9Confident85.2Confident68 Ų6860.8 Ų60.856%0.56236%0.363SS*.PPolyproline II helixtrans-65.6144.417100000110.5G116 S117A114-G116 PolarHBondContact O-N 3.02Å; A114-S117 WeakPolarHBondContact O-CB 3.49Å; A114-S117 PolarHBondContact O-N 2.8Å; A114-S117 VanDerWaalsContact O-N 3.12Å; A114-S117 PolarHBondContact O-OG 3.39Å
115V77.7Confident85.4Confident95 Ų9562.4 Ų62.458%0.57637%0.371SS*.THydrogen-bonded Turntrans-61.4124.4175.7178.50000108.5K17 L18 S117K17-V115 HydrophobicContact CG-CG2 4.29Å; L18-V115 HydrophobicContact CB-CG1 4.09Å; L18-V115 WeakPolarHBondContact O-CA 3.26Å; V115-S117 VanDerWaalsContact C-N 3.31Å; V115-S117 PolarHBondContact O-N 2.85Å
116G74Confident85.6Confident31 Ų3162.9 Ų62.932%0.3237%0.37SS..THydrogen-bonded Turntrans68.925.7-177.800000114.5L18 A114 N118L18-G116 PolarHBondContact O-N 2.95Å; A114-G116 PolarHBondContact O-N 3.02Å; G116-N118 PolarHBondContact O-N 2.97Å; G116-N118 VanDerWaalsContact O-N 3.14Å
117S73.2Confident85.9Confident54 Ų5459.4 Ų59.438%0.37835%0.348SS..  trans-60.3-18.3173.847.60000113.5M113 A114 V115M113-S117 WeakPolarHBondContact CE-OG 3.34Å; A114-S117 WeakPolarHBondContact O-CB 3.49Å; A114-S117 PolarHBondContact O-N 2.8Å; A114-S117 VanDerWaalsContact O-N 3.12Å; A114-S117 PolarHBondContact O-OG 3.39Å; V115-S117 VanDerWaalsContact C-N 3.31Å; V115-S117 PolarHBondContact O-N 2.85Å
118N78.4Confident86.2Confident65 Ų6561.7 Ų61.735%0.34835%0.349SS..  trans47.550.2173.1-71.9-14.7000114.7L19 Q20 T21 G116 C120L19-N118 PolarHBondContact O-N 3.41Å; Q20-N118 VanDerWaalsContact CA-OD1 3.28Å; Q20-N118 WeakPolarHBondContact CA-OD1 3.39Å; Q20-N118 PolarHBondContact OE1-O 2.97Å; T21-N118 PolarHBondContact N-OD1 3.13Å; G116-N118 PolarHBondContact O-N 2.97Å; G116-N118 VanDerWaalsContact O-N 3.14Å; N118-C120 VanDerWaalsContact C-N 3.31Å; N118-C120 PolarHBondContact O-N 3.37Å
119P78.6Confident86.4Confident52 Ų5262.3 Ų62.334%0.33834%0.34SS..  trans-71.2-22.1-173.132.7-40000114.4F101 C105 M113F101-P119 HydrophobicContact CE2-CG 3.75Å; F101-P119 HydrophobicContact CZ-CG 4.25Å; C105-P119 WeakPolarHBondContact SG-CG 3.33Å; M113-P119 HydrophobicContact CE-CG 3.54Å
120C83.8Confident86.7Confident0 Ų060.3 Ų60.30%033%0.326CS..  trans-106.592.2-169.2-174.30000111.1F101 Q104 N118 K122 I123F101-C120 HydrophobicContact CD2-CB 3.67Å; F101-C120 HydrophobicContact CE2-CB 4.23Å; Q104-C120 PolarHBondContact NE2-SG 3.35Å; N118-C120 VanDerWaalsContact C-N 3.31Å; N118-C120 PolarHBondContact O-N 3.37Å; C120-K122 PolarHBondContact O-N 3.08Å; C120-K122 VanDerWaalsContact O-N 3.14Å; C120-I123 HydrophobicContact CB-CG1 4.02Å; C120-I123 WeakPolarHBondContact O-CB 3.28Å; C120-I123 PolarHBondContact O-N 3.47Å; C120-I123 VanDerWaalsContact O-N 3.07Å
121K88.6Confident86.9Confident160 Ų16062 Ų6270%0.69633%0.334SS*.Hα-helixtrans-57.7-27.5177.9-66-174.1178.6-177.50113.8I123 D124 E125K121-I123 PolarHBondContact O-N 2.82Å; K121-I123 VanDerWaalsContact O-N 3.16Å; K121-D124 PolarHBondContact O-N 3.42Å; K121-D124 VanDerWaalsContact O-N 3.14Å; K121-E125 PolarHBondContact O-N 2.94Å
122K91.3Very high87.2Confident73 Ų7361.9 Ų61.932%0.31733%0.331SS..Hα-helixtrans-57.5-29.6177.1-64.8-173.4-178.1176.80112.3D100 C120 E125 Y126D100-K122 HydrophobicContact CB-CD 4.09Å; D100-K122 IonicContact OD1-NZ 3.2Å; D100-K122 PolarHBondContact OD1-NZ 3.46Å; C120-K122 PolarHBondContact O-N 3.08Å; C120-K122 VanDerWaalsContact O-N 3.14Å; K122-E125 PolarHBondContact O-N 2.95Å; K122-Y126 HydrophobicContact CB-CE1 4.41Å; K122-Y126 HydrophobicContact CB-CE2 4.13Å; K122-Y126 WeakPolarHBondContact O-CB 3.38Å; K122-Y126 WeakPolarHBondContact O-CD1 3.27Å; K122-Y126 WeakPolarHBondContact O-CD2 3.41Å; K122-Y126 PolarHBondContact O-N 3.31Å
123I93Very high87.5Confident0 Ų055.9 Ų55.90%030%0.3CS..Hα-helixtrans-66.4-40.5-179.9-59.5-51.4000111L6 I8 Q20 A97 C120 K121 Y126 L127L6-I123 HydrophobicContact CB-CG2 4.37Å; L6-I123 HydrophobicContact CD2-CG2 3.77Å; L6-I123 HydrophobicContact CG-CG2 3.79Å; I8-I123 HydrophobicContact CD1-CD1 4.43Å; I8-I123 HydrophobicContact CG1-CD1 4.23Å; I8-I123 HydrophobicContact CG1-CG1 4.32Å; Q20-I123 HydrophobicContact CG-CB 3.85Å; Q20-I123 HydrophobicContact CG-CG1 3.92Å; Q20-I123 HydrophobicContact CG-CG2 3.87Å; A97-I123 HydrophobicContact CB-CD1 3.72Å; C120-I123 HydrophobicContact CB-CG1 4.02Å; C120-I123 WeakPolarHBondContact O-CB 3.28Å; C120-I123 PolarHBondContact O-N 3.47Å; C120-I123 VanDerWaalsContact O-N 3.07Å; K121-I123 PolarHBondContact O-N 2.82Å; K121-I123 VanDerWaalsContact O-N 3.16Å; I123-Y126 HydrophobicContact CD1-CD2 4.34Å; I123-Y126 PolarHBondContact O-N 2.94Å; I123-L127 PolarHBondContact O-N 3.08Å
124D92.3Very high87.6Confident63 Ų6357.6 Ų57.634%0.33731%0.313SS..Hα-helixtrans-66.5-43.4174.2-62.1-57.5000111.7S22 K121 Y126 L127 Q128S22-D124 WeakPolarHBondContact CB-OD1 3.42Å; S22-D124 WeakPolarHBondContact OG-CA 3.39Å; S22-D124 PolarHBondContact OG-OD1 2.99Å; K121-D124 PolarHBondContact O-N 3.42Å; K121-D124 VanDerWaalsContact O-N 3.14Å; D124-Y126 VanDerWaalsContact C-N 3.3Å; D124-Y126 PolarHBondContact O-N 3.16Å; D124-L127 PolarHBondContact O-N 3.24Å; D124-Q128 PolarHBondContact O-N 3.22Å
125E93.5Very high87.8Confident116 Ų11659 Ų5954%0.54231%0.309SS..Hα-helixtrans-61.8-39.8175.9-67.3173.2-172.100111.9K121 K122 Q128 K129K121-E125 PolarHBondContact O-N 2.94Å; K122-E125 PolarHBondContact O-N 2.95Å; E125-Q128 PolarHBondContact O-N 3.33Å; E125-K129 WeakPolarHBondContact O-CB 3.45Å; E125-K129 PolarHBondContact O-N 2.78Å
126Y93.9Very high88.1Confident22 Ų2254.5 Ų54.59%0.08628%0.281CS..Hα-helixtrans-66-44177.8-74.7-6.3000111.9L93 K96 A97 D100 K122 I123 D124 Q128 K129 Y130L93-Y126 HydrophobicContact CD1-CD2 4.31Å; L93-Y126 HydrophobicContact CD1-CG 4.28Å; K96-Y126 HydrophobicContact CD-CE2 4.42Å; K96-Y126 WeakPolarHBondContact CE-OH 3.37Å; K96-Y126 HydrophobicContact CG-CE2 3.91Å; K96-Y126 PolarHBondContact NZ-OH 2.99Å; K96-Y126 VanDerWaalsContact NZ-OH 3.16Å; A97-Y126 HydrophobicContact CB-CD2 4.42Å; D100-Y126 HydrophobicContact CB-CE2 4.28Å; D100-Y126 PolarHBondContact OD2-OH 3.23Å; K122-Y126 HydrophobicContact CB-CE1 4.41Å; K122-Y126 HydrophobicContact CB-CE2 4.13Å; K122-Y126 WeakPolarHBondContact O-CB 3.38Å; K122-Y126 WeakPolarHBondContact O-CD1 3.27Å; K122-Y126 WeakPolarHBondContact O-CD2 3.41Å; K122-Y126 PolarHBondContact O-N 3.31Å; I123-Y126 HydrophobicContact CD1-CD2 4.34Å; I123-Y126 PolarHBondContact O-N 2.94Å; D124-Y126 VanDerWaalsContact C-N 3.3Å; D124-Y126 PolarHBondContact O-N 3.16Å; Y126-Q128 PolarHBondContact O-N 3.35Å; Y126-K129 PolarHBondContact O-N 3Å; Y126-Y130 HydrophobicContact CD1-CD2 4.34Å; Y126-Y130 AromaticContact CD1-CE2 3.64Å; Y126-Y130 HydrophobicContact CD1-CE2 3.64Å; Y126-Y130 HydrophobicContact CE1-CE2 4.29Å; Y126-Y130 HydrophobicContact CG-CD2 4.28Å; Y126-Y130 AromaticContact CG-CE2 3.87Å; Y126-Y130 HydrophobicContact CG-CE2 3.87Å; Y126-Y130 WeakPolarHBondContact O-CB 3.48Å; Y126-Y130 WeakPolarHBondContact O-CD2 3.37Å; Y126-Y130 PolarHBondContact O-N 3.35Å
127L94.3Very high88.1Confident0 Ų058.2 Ų58.20%029%0.294CS..Hα-helixtrans-58.5-39.9176.9-175.964.6000111.5L3 L6 S22 E24 I123 D124 Q131L3-L127 HydrophobicContact CB-CD1 3.63Å; L3-L127 HydrophobicContact CD1-CD1 4.33Å; L6-L127 HydrophobicContact CB-CB 4.43Å; L6-L127 HydrophobicContact CB-CD1 4.08Å; S22-L127 VanDerWaalsContact C-CD2 3.49Å; S22-L127 VanDerWaalsContact OG-CD2 3.31Å; S22-L127 WeakPolarHBondContact OG-CD2 3.46Å; E24-L127 HydrophobicContact CB-CD2 4.08Å; E24-L127 HydrophobicContact CB-CG 4.46Å; I123-L127 PolarHBondContact O-N 3.08Å; D124-L127 PolarHBondContact O-N 3.24Å; L127-Q131 WeakPolarHBondContact O-CG 3.43Å; L127-Q131 PolarHBondContact O-NE2 3.28Å
128Q93.2Very high88.2Confident105 Ų10559.4 Ų59.449%0.49131%0.314SS..Hα-helixtrans-75.5-49.1178.7-66.4-61.7-34.100112.6E24 D124 E125 Y126 Y130 Q131E24-Q128 PolarHBondContact OE2-NE2 2.77Å; D124-Q128 PolarHBondContact O-N 3.22Å; E125-Q128 PolarHBondContact O-N 3.33Å; Y126-Q128 PolarHBondContact O-N 3.35Å; Q128-Y130 PolarHBondContact O-N 2.91Å; Q128-Q131 WeakPolarHBondContact O-CB 3.26Å; Q128-Q131 WeakPolarHBondContact O-CG 3.47Å; Q128-Q131 PolarHBondContact O-N 2.91Å
129K93.1Very high88.1Confident111 Ų11157 Ų5748%0.48330%0.302SS..Hα-helixtrans-62.4-42.5-176.3-178.2177.1179.9179.10112.2E125 Y126 Q131 Q135E125-K129 WeakPolarHBondContact O-CB 3.45Å; E125-K129 PolarHBondContact O-N 2.78Å; Y126-K129 PolarHBondContact O-N 3Å; K129-Q131 VanDerWaalsContact C-N 3.3Å; K129-Q131 PolarHBondContact O-N 2.95Å; K129-Q135 HydrophobicContact CG-CB 4.29Å
130Y93.9Very high87.7Confident8 Ų860 Ų603%0.03131%0.313CS..THydrogen-bonded Turntrans-89.510.5-176.2-60-65.3000113.4L3 Y85 L93 Y126 Q128 N132 Q135 A136 L139L3-Y130 WeakPolarHBondContact CD1-O 3.41Å; Y85-Y130 WeakPolarHBondContact CE2-O 3.09Å; Y85-Y130 PolarHBondContact OH-O 2.85Å; L93-Y130 HydrophobicContact CD1-CD2 3.31Å; L93-Y130 HydrophobicContact CD1-CE2 3.56Å; L93-Y130 HydrophobicContact CD1-CG 4.16Å; L93-Y130 HydrophobicContact CD2-CD2 4.05Å; L93-Y130 HydrophobicContact CD2-CG 4.26Å; L93-Y130 HydrophobicContact CG-CD2 4.29Å; Y126-Y130 HydrophobicContact CD1-CD2 4.34Å; Y126-Y130 AromaticContact CD1-CE2 3.64Å; Y126-Y130 HydrophobicContact CD1-CE2 3.64Å; Y126-Y130 HydrophobicContact CE1-CE2 4.29Å; Y126-Y130 HydrophobicContact CG-CD2 4.28Å; Y126-Y130 AromaticContact CG-CE2 3.87Å; Y126-Y130 HydrophobicContact CG-CE2 3.87Å; Y126-Y130 WeakPolarHBondContact O-CB 3.48Å; Y126-Y130 WeakPolarHBondContact O-CD2 3.37Å; Y126-Y130 PolarHBondContact O-N 3.35Å; Q128-Y130 PolarHBondContact O-N 2.91Å; Y130-N132 PolarHBondContact O-N 2.93Å; Y130-N132 VanDerWaalsContact O-N 3.17Å; Y130-Q135 HydrophobicContact CD1-CB 4.34Å; Y130-Q135 WeakPolarHBondContact CE1-O 3.29Å; Y130-A136 HydrophobicContact CD1-CB 3.88Å; Y130-A136 HydrophobicContact CE1-CB 3.95Å; Y130-L139 HydrophobicContact CE1-CD1 4.08Å
131Q94.4Very high87.2Confident39 Ų3970.7 Ų70.718%0.18235%0.353CS..THydrogen-bonded Turntrans-53.6-31.5161.1-69.1-61.4-14.300111.3K2 L3 L127 Q128 K129 P133K2-Q131 VanDerWaalsContact CG-OE1 3.26Å; L3-Q131 PolarHBondContact O-NE2 2.85Å; L127-Q131 WeakPolarHBondContact O-CG 3.43Å; L127-Q131 PolarHBondContact O-NE2 3.28Å; Q128-Q131 WeakPolarHBondContact O-CB 3.26Å; Q128-Q131 WeakPolarHBondContact O-CG 3.47Å; Q128-Q131 PolarHBondContact O-N 2.91Å; K129-Q131 VanDerWaalsContact C-N 3.3Å; K129-Q131 PolarHBondContact O-N 2.95Å; Q131-P133 WeakPolarHBondContact O-CD 3.44Å
132N92.2Very high86.4Confident76 Ų7664.5 Ų64.541%0.40633%0.327SS..SBendtrans-98.3108.7168.8-176.3-6.3000110.5Y130 S134 Q135Y130-N132 PolarHBondContact O-N 2.93Å; Y130-N132 VanDerWaalsContact O-N 3.17Å; N132-S134 PolarHBondContact ND2-OG 2.91Å; N132-S134 VanDerWaalsContact ND2-OG 3.15Å; N132-S134 PolarHBondContact O-N 3.31Å; N132-S134 PolarHBondContact OD1-N 3.08Å; N132-S134 VanDerWaalsContact OD1-N 3.17Å; N132-S134 PolarHBondContact OD1-OG 3.32Å; N132-Q135 HydrophobicContact CB-CG 4.12Å; N132-Q135 WeakPolarHBondContact O-CB 3.38Å; N132-Q135 PolarHBondContact O-N 3.28Å
133P90.1Very high85.3Confident13 Ų1362.2 Ų62.28%0.08432%0.318CS..G310 helixtrans-62.2-25-177.5-17.826.2000114.3M1 Y85 P86 V89 Q131 Q135 A136M1-P133 HydrophobicContact CE-CG 3.56Å; M1-P133 HydrophobicContact CG-CG 4.34Å; M1-P133 HydrophobicContact SD-CG 3.36Å; M1-P133 WeakPolarHBondContact SD-CG 3.36Å; Y85-P133 HydrophobicContact CD2-CG 4.23Å; Y85-P133 HydrophobicContact CE2-CG 3.74Å; P86-P133 HydrophobicContact CG-CB 4.02Å; P86-P133 HydrophobicContact CG-CG 4.03Å; V89-P133 HydrophobicContact CB-CB 4.43Å; V89-P133 HydrophobicContact CG1-CB 4.19Å; V89-P133 HydrophobicContact CG2-CB 4.13Å; Q131-P133 WeakPolarHBondContact O-CD 3.44Å; P133-Q135 PolarHBondContact O-N 2.65Å; P133-A136 WeakPolarHBondContact O-CB 3.34Å; P133-A136 PolarHBondContact O-N 3.17Å
134S87.9Confident84.3Confident58 Ų5866.8 Ų66.841%0.40634%0.342SS..G310 helixtrans-62.6-23.2176.163.30000112.6N132 A136 D137N132-S134 PolarHBondContact ND2-OG 2.91Å; N132-S134 VanDerWaalsContact ND2-OG 3.15Å; N132-S134 PolarHBondContact O-N 3.31Å; N132-S134 PolarHBondContact OD1-N 3.08Å; N132-S134 VanDerWaalsContact OD1-N 3.17Å; N132-S134 PolarHBondContact OD1-OG 3.32Å; S134-A136 PolarHBondContact O-N 3.39Å; S134-D137 PolarHBondContact O-N 3.26Å
135Q87.3Confident83.3Confident99 Ų9970 Ų7046%0.46336%0.355SS..G310 helixtrans-70.7-10174.4-63.1-65-49.800112.7K129 Y130 N132 P133 D137K129-Q135 HydrophobicContact CG-CB 4.29Å; Y130-Q135 HydrophobicContact CD1-CB 4.34Å; Y130-Q135 WeakPolarHBondContact CE1-O 3.29Å; N132-Q135 HydrophobicContact CB-CG 4.12Å; N132-Q135 WeakPolarHBondContact O-CB 3.38Å; N132-Q135 PolarHBondContact O-N 3.28Å; P133-Q135 PolarHBondContact O-N 2.65Å; Q135-D137 VanDerWaalsContact C-N 3.35Å
136A82.6Confident82.3Confident0 Ų065.4 Ų65.40%033%0.334CS..G310 helixtrans-86.50.8176.400000114.1V89 Y130 P133 S134 G138 L139V89-A136 HydrophobicContact CB-CB 4.5Å; V89-A136 HydrophobicContact CG1-CB 3.44Å; V89-A136 VanDerWaalsContact CG1-CB 3.44Å; V89-A136 HydrophobicContact CG2-CB 4.37Å; Y130-A136 HydrophobicContact CD1-CB 3.88Å; Y130-A136 HydrophobicContact CE1-CB 3.95Å; P133-A136 WeakPolarHBondContact O-CB 3.34Å; P133-A136 PolarHBondContact O-N 3.17Å; S134-A136 PolarHBondContact O-N 3.39Å; A136-G138 PolarHBondContact O-N 3.23Å; A136-L139 HydrophobicContact CB-CD1 4.15Å; A136-L139 WeakPolarHBondContact O-CA 3.19Å; A136-L139 WeakPolarHBondContact O-CB 3.16Å; A136-L139 PolarHBondContact O-N 2.97Å
137D75.1Confident81.2Confident108 Ų10869.3 Ų69.358%0.57836%0.356SS*.G310 helixtrans-58.4-32.7177.5-69.7-11.9000112.1S134 Q135 L139 M140S134-D137 PolarHBondContact O-N 3.26Å; Q135-D137 VanDerWaalsContact C-N 3.35Å; D137-L139 PolarHBondContact O-N 3.44Å; D137-M140 WeakPolarHBondContact O-CB 3.49Å; D137-M140 PolarHBondContact O-N 3.14Å; D137-M140 VanDerWaalsContact O-N 3.08Å
138G75.5Confident80.2Confident79 Ų7978 Ų7881%0.81440%0.397SS*.G310 helixtrans-63.1-10.7173.300000114.5A136A136-G138 PolarHBondContact O-N 3.23Å
139L76.3Confident79.5Confident15 Ų1575.8 Ų75.88%0.07939%0.391CS..G310 helixtrans-94.49.6176.9-50.3-178.9000113T92 K96 Y130 A136 D137 R141 L142 Q143T92-L139 HydrophobicContact CG2-CB 3.46Å; T92-L139 VanDerWaalsContact CG2-CB 3.46Å; T92-L139 HydrophobicContact CG2-CD1 3.85Å; T92-L139 HydrophobicContact CG2-CG 4.27Å; K96-L139 HydrophobicContact CD-CD1 4.14Å; K96-L139 HydrophobicContact CD-CD2 3.28Å; K96-L139 HydrophobicContact CD-CG 4.36Å; Y130-L139 HydrophobicContact CE1-CD1 4.08Å; A136-L139 HydrophobicContact CB-CD1 4.15Å; A136-L139 WeakPolarHBondContact O-CA 3.19Å; A136-L139 WeakPolarHBondContact O-CB 3.16Å; A136-L139 PolarHBondContact O-N 2.97Å; D137-L139 PolarHBondContact O-N 3.44Å; L139-R141 PolarHBondContact O-N 2.89Å; L139-L142 WeakPolarHBondContact O-CB 3.24Å; L139-L142 PolarHBondContact O-N 2.85Å; L139-Q143 PolarHBondContact O-N 3.06Å; L139-Q143 VanDerWaalsContact O-N 3.08Å
140M69.5Low79.2Confident116 Ų11678.9 Ų78.957%0.57141%0.405SS*.Hα-helixtrans-49.8-35-174.1-133.4179.880.100114.6D137 Q143 N144D137-M140 WeakPolarHBondContact O-CB 3.49Å; D137-M140 PolarHBondContact O-N 3.14Å; D137-M140 VanDerWaalsContact O-N 3.08Å; M140-Q143 WeakPolarHBondContact O-CB 3.17Å; M140-Q143 PolarHBondContact O-N 3.01Å; M140-N144 PolarHBondContact O-N 3.31Å
141R72.6Confident79Confident223 Ų22380.6 Ų80.684%0.84242%0.415SS*.Hα-helixtrans-64.4-46177.6-71.9-174.1-179.9173.90112.2L139 Q143 N144L139-R141 PolarHBondContact O-N 2.89Å; R141-Q143 PolarHBondContact O-N 2.86Å; R141-N144 PolarHBondContact O-N 2.8Å
142L72.4Confident78.9Confident30 Ų3081.2 Ų81.216%0.15742%0.42CS..Hα-helixtrans-65.2-31.6174.7-69.9169.9000111.1T92 T95 K96 L139 N144 E145 L146T92-L142 HydrophobicContact CG2-CB 3.72Å; T92-L142 HydrophobicContact CG2-CD1 4.44Å; T95-L142 HydrophobicContact CG2-CD2 4.14Å; K96-L142 HydrophobicContact CB-CD1 4.23Å; L139-L142 WeakPolarHBondContact O-CB 3.24Å; L139-L142 PolarHBondContact O-N 2.85Å; L142-N144 VanDerWaalsContact C-N 3.28Å; L142-N144 PolarHBondContact O-N 2.9Å; L142-E145 PolarHBondContact O-N 3.4Å; L142-L146 WeakPolarHBondContact O-CG 3.46Å; L142-L146 PolarHBondContact O-N 3.43Å
143Q68.4Low78.9Confident25 Ų2583.6 Ų83.612%0.11743%0.432CS..Hα-helixtrans-62.1-34.4177.2-70.1-176.93.500112.8R88 T92 L139 M140 R141 L146R88-Q143 PolarHBondContact NE-O 2.76Å; R88-Q143 VanDerWaalsContact NH2-C 3.34Å; R88-Q143 PolarHBondContact NH2-O 3.08Å; T92-Q143 HydrophobicContact CG2-CG 4.02Å; T92-Q143 WeakPolarHBondContact OG1-CG 3.26Å; L139-Q143 PolarHBondContact O-N 3.06Å; L139-Q143 VanDerWaalsContact O-N 3.08Å; M140-Q143 WeakPolarHBondContact O-CB 3.17Å; M140-Q143 PolarHBondContact O-N 3.01Å; R141-Q143 PolarHBondContact O-N 2.86Å; Q143-L146 PolarHBondContact O-N 3.43Å
144N71.8Confident79Confident96 Ų9684.8 Ų84.851%0.51344%0.436SS..Hα-helixtrans-71.1-39.9-178.6-70.7-14.5000112.1M140 R141 L142 L146 D147M140-N144 PolarHBondContact O-N 3.31Å; R141-N144 PolarHBondContact O-N 2.8Å; L142-N144 VanDerWaalsContact C-N 3.28Å; L142-N144 PolarHBondContact O-N 2.9Å; N144-L146 PolarHBondContact O-N 3.08Å; N144-D147 PolarHBondContact O-N 3.05Å
145E71.8Confident79Confident131 Ų13188.4 Ų88.461%0.61245%0.451SS*.Hα-helixtrans-64.3-28.7176.5-65.8175.8178.900112.2L142 T149L142-E145 PolarHBondContact O-N 3.4Å; E145-T149 PolarHBondContact O-OG1 3.26Å
146L72.2Confident79.2Confident20 Ų2086 Ų8611%0.10544%0.443CS..Hα-helixtrans-75.3-24.1-179.5-70.1175.8000114.3Q91 T92 L142 Q143 N144 E148 T149Q91-L146 HydrophobicContact CB-CD1 4.07Å; T92-L146 VanDerWaalsContact CA-CD1 3.47Å; T92-L146 HydrophobicContact CG2-CD1 4.42Å; T92-L146 VanDerWaalsContact OG1-CD1 3.27Å; T92-L146 WeakPolarHBondContact OG1-CD1 3.29Å; L142-L146 WeakPolarHBondContact O-CG 3.46Å; L142-L146 PolarHBondContact O-N 3.43Å; Q143-L146 PolarHBondContact O-N 3.43Å; N144-L146 PolarHBondContact O-N 3.08Å; L146-E148 PolarHBondContact O-N 2.69Å; L146-T149 PolarHBondContact O-N 3.3Å
147D71.3Confident79.4Confident103 Ų10386.5 Ų86.555%0.55145%0.446SS*.Hα-helixtrans-65-26.4179.9-79-10.4000111.8R88 N144 T149R88-D147 VanDerWaalsContact CZ-CG 3.44Å; R88-D147 IonicContact CZ-OD1 3.19Å; R88-D147 IonicContact CZ-OD2 2.63Å; R88-D147 IonicContact NE-OD1 2.84Å; R88-D147 PolarHBondContact NE-OD1 2.87Å; R88-D147 IonicContact NH1-OD1 2.73Å; R88-D147 PolarHBondContact NH1-OD1 3.17Å; R88-D147 IonicContact NH1-OD2 3.73Å; R88-D147 PolarHBondContact NH1-OD2 2.69Å; R88-D147 IonicContact NH2-OD1 3.31Å; R88-D147 PolarHBondContact NH2-OD1 3Å; R88-D147 VanDerWaalsContact NH2-OD1 3.11Å; R88-D147 IonicContact NH2-OD2 3.8Å; R88-D147 PolarHBondContact NH2-OD2 3.26Å; N144-D147 PolarHBondContact O-N 3.05Å; D147-T149 VanDerWaalsContact C-N 3.35Å
148E72.5Confident80Confident182 Ų18285.6 Ų85.685%0.8544%0.438SS*.THydrogen-bonded Turntrans-85.5-9.9175.6-61.8-174.8179.600112.9L146L146-E148 PolarHBondContact O-N 2.69Å
149T78.4Confident80.6Confident60 Ų6084.6 Ų84.637%0.36842%0.419SS..SBendtrans-91.1120-173.2-51.80000111.5R56 E145 L146 D147 V151R56-T149 HydrophobicContact CG-CG2 4.43Å; E145-T149 PolarHBondContact O-OG1 3.26Å; L146-T149 PolarHBondContact O-N 3.3Å; D147-T149 VanDerWaalsContact C-N 3.35Å; T149-V151 PolarHBondContact O-N 2.71Å
150K87.6Confident81.1Confident176 Ų17684.8 Ų84.877%0.76542%0.42SS*.PPolyproline II helixtrans-66.2123.8175.1-174176.7179.4178.10111.4
151V89.4Confident82Confident43 Ų4380.4 Ų80.426%0.26140%0.398SS..EExtended strand (participates in β ladder)trans-103.8127170.6-176.10000109.4R56 Q58 Q91 T149R56-V151 HydrophobicContact CB-CB 4.43Å; R56-V151 HydrophobicContact CB-CG1 4.32Å; R56-V151 HydrophobicContact CB-CG2 4Å; Q58-V151 HydrophobicContact CB-CG1 4.16Å; Q58-V151 HydrophobicContact CG-CG1 3.73Å; Q91-V151 HydrophobicContact CG-CG2 4.5Å; T149-V151 PolarHBondContact O-N 2.71Å
152I92.7Very high82.7Confident53 Ų5373.3 Ų73.327%0.27238%0.383SS..EExtended strand (participates in β ladder)trans-84.6129.3177.4-57.3-169.8000109.8Q55 R56 A57 Q58 H154Q55-I152 HydrophobicContact CG-CD1 4.08Å; Q55-I152 HydrophobicContact CG-CG1 4.49Å; R56-I152 PolarHBondContact O-N 2.6Å; A57-I152 CarbonylContact C-O 3.56Å; A57-I152 VanDerWaalsContact CA-O 3.24Å; A57-I152 WeakPolarHBondContact CA-O 3.38Å; Q58-I152 PolarHBondContact N-O 3.45Å; I152-H154 WeakPolarHBondContact CG2-NE2 3.4Å
153L92.1Very high83.4Confident126 Ų12684.3 Ų84.366%0.6642%0.422SS*.EExtended strand (participates in β ladder)trans-99.6128179.5-72.8154.9000110.6Q58Q58-L153 HydrophobicContact CB-CD2 3.77Å; Q58-L153 WeakPolarHBondContact O-CA 3.36Å
154H92.3Very high84.2Confident38 Ų3886.7 Ų86.718%0.17645%0.453CS..EExtended strand (participates in β ladder)trans-116.9125.3175.3-73.8-81.3000108.5Q58 I59 K60 I152 S159 L160Q58-H154 PolarHBondContact O-N 3.14Å; I59-H154 WeakPolarHBondContact CA-O 3.33Å; I59-H154 HydrophobicContact CB-CB 4.34Å; I59-H154 HydrophobicContact CG1-CB 4.03Å; I59-H154 HydrophobicContact CG2-CB 4.33Å; K60-H154 PolarHBondContact N-O 2.96Å; I152-H154 WeakPolarHBondContact CG2-NE2 3.4Å; H154-S159 VanDerWaalsContact CB-OG 3.28Å; H154-S159 WeakPolarHBondContact CB-OG 3.44Å; H154-S159 PolarHBondContact ND1-OG 3.38Å; H154-S159 VanDerWaalsContact ND1-OG 3.17Å; H154-L160 VanDerWaalsContact CE1-CD2 3.44Å; H154-L160 WeakPolarHBondContact CE1-CD2 3.25Å; H154-L160 WeakPolarHBondContact NE2-CD2 3.42Å
155N87.8Confident85.2Confident134 Ų13484.9 Ų84.972%0.71744%0.441SS*.SBendtrans-75.5-26.9-174.8-72-28.4000113.7K60K60-N155 CarbonylContact O-C 3.57Å; K60-N155 VanDerWaalsContact O-C 3.27Å
156T90.1Very high86.1Confident48 Ų4884.7 Ų84.729%0.29444%0.439SS..SBendtrans-145.3159.9175.7720000110.2K60 E158 S159K60-T156 VanDerWaalsContact O-CA 3.23Å; K60-T156 WeakPolarHBondContact O-CA 3.25Å; K60-T156 PolarHBondContact O-N 3.23Å; T156-E158 VanDerWaalsContact CB-OE2 3.25Å; T156-E158 WeakPolarHBondContact CB-OE2 3.37Å; T156-E158 PolarHBondContact O-N 3.42Å; T156-E158 PolarHBondContact OG1-N 3.46Å; T156-E158 PolarHBondContact OG1-OE2 3.12Å; T156-S159 WeakPolarHBondContact O-CB 3.33Å; T156-S159 PolarHBondContact O-N 2.92Å; T156-S159 VanDerWaalsContact O-N 3.08Å; T156-S159 PolarHBondContact O-OG 3.47Å; T156-S159 PolarHBondContact OG1-N 3.3Å
157L87.2Confident86.9Confident11 Ų1184.4 Ų84.46%0.05844%0.437CS..G310 helixtrans-58.8-32.3170.6-176.260.3000111.8T43 V46 V47 I59 S159 L160 L167T43-L157 HydrophobicContact CG2-CD1 4.45Å; T43-L157 HydrophobicContact CG2-CD2 4.24Å; V46-L157 HydrophobicContact CG1-CD1 4.2Å; V47-L157 HydrophobicContact CG2-CD1 3.59Å; I59-L157 HydrophobicContact CG2-CB 4.35Å; L157-S159 PolarHBondContact O-N 3.47Å; L157-L160 HydrophobicContact CD1-CD1 4.1Å; L157-L160 WeakPolarHBondContact O-CB 3.5Å; L157-L160 PolarHBondContact O-N 3.34Å; L157-L160 VanDerWaalsContact O-N 3.15Å; L157-L167 HydrophobicContact CD2-CD1 3.74Å; L157-L167 HydrophobicContact CD2-CD2 4.06Å; L157-L167 HydrophobicContact CG-CD1 4.33Å
158E87.6Confident87.8Confident88 Ų8882.3 Ų82.341%0.41143%0.426SS..G310 helixtrans-64.9-24.9177.2-58.8118.1159.700112.8T156 L160 L161 L167T156-E158 VanDerWaalsContact CB-OE2 3.25Å; T156-E158 WeakPolarHBondContact CB-OE2 3.37Å; T156-E158 PolarHBondContact O-N 3.42Å; T156-E158 PolarHBondContact OG1-N 3.46Å; T156-E158 PolarHBondContact OG1-OE2 3.12Å; E158-L160 PolarHBondContact O-N 3.2Å; E158-L161 WeakPolarHBondContact O-CB 3.48Å; E158-L161 PolarHBondContact O-N 2.63Å; E158-L167 HydrophobicContact CG-CB 4.32Å
159S88.9Confident88.8Confident59 Ų5976.5 Ų76.541%0.41340%0.401SS..G310 helixtrans-68.5-12.2176.875.50000114.1H154 T156 L157H154-S159 VanDerWaalsContact CB-OG 3.28Å; H154-S159 WeakPolarHBondContact CB-OG 3.44Å; H154-S159 PolarHBondContact ND1-OG 3.38Å; H154-S159 VanDerWaalsContact ND1-OG 3.17Å; T156-S159 WeakPolarHBondContact O-CB 3.33Å; T156-S159 PolarHBondContact O-N 2.92Å; T156-S159 VanDerWaalsContact O-N 3.08Å; T156-S159 PolarHBondContact O-OG 3.47Å; T156-S159 PolarHBondContact OG1-N 3.3Å; L157-S159 PolarHBondContact O-N 3.47Å
160L87.6Confident89.4Confident19 Ų1975.3 Ų75.310%0.09939%0.392CS..G310 helixtrans-87.9-11.9171.4-72.4173.3000113.2V47 R50 I59 H154 L157 E158V47-L160 HydrophobicContact CB-CD1 4.27Å; V47-L160 HydrophobicContact CG1-CD1 3.88Å; V47-L160 HydrophobicContact CG2-CD1 3.9Å; R50-L160 HydrophobicContact CB-CB 3.95Å; R50-L160 HydrophobicContact CB-CD2 4.19Å; R50-L160 HydrophobicContact CB-CG 4.48Å; R50-L160 HydrophobicContact CG-CB 4.26Å; I59-L160 HydrophobicContact CD1-CD1 4.13Å; I59-L160 HydrophobicContact CG1-CD1 3.48Å; I59-L160 VanDerWaalsContact CG1-CD1 3.48Å; I59-L160 HydrophobicContact CG1-CG 4.31Å; H154-L160 VanDerWaalsContact CE1-CD2 3.44Å; H154-L160 WeakPolarHBondContact CE1-CD2 3.25Å; H154-L160 WeakPolarHBondContact NE2-CD2 3.42Å; L157-L160 HydrophobicContact CD1-CD1 4.1Å; L157-L160 WeakPolarHBondContact O-CB 3.5Å; L157-L160 PolarHBondContact O-N 3.34Å; L157-L160 VanDerWaalsContact O-N 3.15Å; E158-L160 PolarHBondContact O-N 3.2Å
161L88.2Confident89.6Confident24 Ų2467.2 Ų67.213%0.12636%0.357CS..SBendtrans-83.7152-175.4-56.6-176.2000111.4V46 E158 E165 L167 L170V46-L161 HydrophobicContact CG1-CD2 4.36Å; E158-L161 WeakPolarHBondContact O-CB 3.48Å; E158-L161 PolarHBondContact O-N 2.63Å; L161-E165 HydrophobicContact CB-CB 4.24Å; L161-E165 HydrophobicContact CB-CG 4.41Å; L161-L167 HydrophobicContact CD1-CB 4Å; L161-L170 HydrophobicContact CD1-CD1 4.25Å; L161-L170 HydrophobicContact CD2-CD1 3.48Å; L161-L170 VanDerWaalsContact CD2-CD1 3.48Å
162S87.1Confident89.8Confident73 Ų7371.9 Ų71.951%0.5138%0.376SS..PPolyproline II helixtrans-68.7154176.1-67.90000110.7R50 G164 E165R50-S162 PolarHBondContact NH1-OG 2.84Å; S162-G164 PolarHBondContact O-N 3.19Å; S162-G164 VanDerWaalsContact O-N 3.1Å; S162-E165 PolarHBondContact N-OE2 2.93Å; S162-E165 VanDerWaalsContact N-OE2 3.07Å; S162-E165 VanDerWaalsContact O-CB 3.27Å; S162-E165 WeakPolarHBondContact O-CB 3.49Å; S162-E165 PolarHBondContact O-N 2.8Å
163R86.6Confident89.7Confident262 Ų26278.9 Ų78.999%0.98940%0.399SS*.THydrogen-bonded Turntrans-56.9121.5176.9-171.2-180-178.7-142.60.4110.3
164G86.2Confident89.7Confident74 Ų7473.9 Ų73.976%0.76338%0.375SS*.THydrogen-bonded Turntrans93.1-8.2-179.400000114.8S162S162-G164 PolarHBondContact O-N 3.19Å; S162-G164 VanDerWaalsContact O-N 3.1Å
165E90.9Very high89.6Confident58 Ų5881.5 Ų81.527%0.27141%0.41SS..  trans-83.5138173.6-171.7173-154.200110.5R50 L161 S162 L170R50-E165 IonicContact CZ-OE1 3.04Å; R50-E165 IonicContact CZ-OE2 3.14Å; R50-E165 VanDerWaalsContact CZ-OE2 3.31Å; R50-E165 IonicContact NH1-OE1 2.69Å; R50-E165 IonicContact NH1-OE2 3.67Å; R50-E165 PolarHBondContact NH1-OE2 2.96Å; R50-E165 VanDerWaalsContact NH2-CD 3.3Å; R50-E165 IonicContact NH2-OE1 2.71Å; R50-E165 PolarHBondContact NH2-OE1 3.03Å; R50-E165 IonicContact NH2-OE2 3.8Å; R50-E165 PolarHBondContact NH2-OE2 2.71Å; R50-E165 VanDerWaalsContact NH2-OE2 3.14Å; L161-E165 HydrophobicContact CB-CB 4.24Å; L161-E165 HydrophobicContact CB-CG 4.41Å; S162-E165 PolarHBondContact N-OE2 2.93Å; S162-E165 VanDerWaalsContact N-OE2 3.07Å; S162-E165 VanDerWaalsContact O-CB 3.27Å; S162-E165 WeakPolarHBondContact O-CB 3.49Å; S162-E165 PolarHBondContact O-N 2.8Å; E165-L170 HydrophobicContact CG-CD1 4.39Å; E165-L170 HydrophobicContact CG-CG 4.49Å
166K90.7Very high89.5Confident127 Ų12777.1 Ų77.155%0.55240%0.397SS*.  trans-114.6137.8179.5-63.4176.9-177.6172.40110.4D168 D169 L170K166-D168 PolarHBondContact O-N 2.77Å; K166-D169 HydrophobicContact CB-CB 4.47Å; K166-D169 PolarHBondContact O-N 3.15Å; K166-D169 VanDerWaalsContact O-N 3.14Å; K166-L170 PolarHBondContact O-N 3.2Å
167L89.4Confident89.6Confident14 Ų1475.1 Ų75.17%0.07338%0.384CS..Hα-helixtrans-57.9-35.7173.8-176.260.6000111.7F42 L157 E158 L161 D169 L170 V171F42-L167 HydrophobicContact CE1-CD1 4.08Å; F42-L167 HydrophobicContact CZ-CD1 4.4Å; L157-L167 HydrophobicContact CD2-CD1 3.74Å; L157-L167 HydrophobicContact CD2-CD2 4.06Å; L157-L167 HydrophobicContact CG-CD1 4.33Å; E158-L167 HydrophobicContact CG-CB 4.32Å; L161-L167 HydrophobicContact CD1-CB 4Å; L167-D169 VanDerWaalsContact C-N 3.32Å; L167-D169 PolarHBondContact O-N 3.22Å; L167-L170 PolarHBondContact O-N 3.5Å; L167-V171 HydrophobicContact CG-CG2 4.46Å; L167-V171 WeakPolarHBondContact O-CG2 3.35Å; L167-V171 PolarHBondContact O-N 3.45Å
168D91.3Very high89.9Confident60 Ų6076.7 Ų76.732%0.32140%0.396SS..Hα-helixtrans-60.7-41.2178.6-64-17000111.7K166 L170 V171 E172 Y185 K189K166-D168 PolarHBondContact O-N 2.77Å; D168-L170 VanDerWaalsContact C-N 3.34Å; D168-L170 PolarHBondContact O-N 3.46Å; D168-V171 PolarHBondContact O-N 3.48Å; D168-E172 WeakPolarHBondContact O-CB 3.14Å; D168-E172 PolarHBondContact O-N 2.89Å; D168-Y185 VanDerWaalsContact OD1-CE1 3.29Å; D168-Y185 WeakPolarHBondContact OD1-CE1 3.19Å; D168-Y185 PolarHBondContact OD1-OH 3.17Å; D168-K189 IonicContact OD1-NZ 2.82Å; D168-K189 PolarHBondContact OD1-NZ 3.29Å; D168-K189 IonicContact OD2-NZ 3.3Å; D168-K189 PolarHBondContact OD2-NZ 2.93Å
169D92.4Very high90.1Very high59 Ų5978.8 Ų78.832%0.31641%0.41SS..Hα-helixtrans-68.5-36.2179.2-57.3-14.3000111K166 L167 R173K166-D169 HydrophobicContact CB-CB 4.47Å; K166-D169 PolarHBondContact O-N 3.15Å; K166-D169 VanDerWaalsContact O-N 3.14Å; L167-D169 VanDerWaalsContact C-N 3.32Å; L167-D169 PolarHBondContact O-N 3.22Å; D169-R173 WeakPolarHBondContact O-CB 3.32Å; D169-R173 VanDerWaalsContact O-CG 3.25Å; D169-R173 WeakPolarHBondContact O-CG 3.38Å; D169-R173 PolarHBondContact O-N 2.92Å
170L91.3Very high90.2Very high36 Ų3681.6 Ų81.619%0.18842%0.416CS..Hα-helixtrans-67-42174.6-68175.8000111.8F42 L161 E165 K166 L167 D168 R173 S174F42-L170 HydrophobicContact CE2-CB 4.4Å; F42-L170 HydrophobicContact CZ-CB 3.87Å; L161-L170 HydrophobicContact CD1-CD1 4.25Å; L161-L170 HydrophobicContact CD2-CD1 3.48Å; L161-L170 VanDerWaalsContact CD2-CD1 3.48Å; E165-L170 HydrophobicContact CG-CD1 4.39Å; E165-L170 HydrophobicContact CG-CG 4.49Å; K166-L170 PolarHBondContact O-N 3.2Å; L167-L170 PolarHBondContact O-N 3.5Å; D168-L170 VanDerWaalsContact C-N 3.34Å; D168-L170 PolarHBondContact O-N 3.46Å; L170-R173 PolarHBondContact O-N 3.25Å; L170-S174 WeakPolarHBondContact O-CB 3.2Å; L170-S174 PolarHBondContact O-N 2.78Å
171V92.5Very high90.4Very high5 Ų580.7 Ų80.73%0.0341%0.411CS..Hα-helixtrans-62.7-45.3175.71670000110.6F39 F42 L167 D168 R173 S174 L177 K182 Y185F39-V171 HydrophobicContact CE1-CG1 4.45Å; F39-V171 HydrophobicContact CE1-CG2 3.96Å; F39-V171 HydrophobicContact CZ-CG1 3.98Å; F39-V171 HydrophobicContact CZ-CG2 4.32Å; F42-V171 HydrophobicContact CD1-CG2 4.48Å; F42-V171 HydrophobicContact CE1-CG2 3.68Å; F42-V171 HydrophobicContact CZ-CG2 3.93Å; L167-V171 HydrophobicContact CG-CG2 4.46Å; L167-V171 WeakPolarHBondContact O-CG2 3.35Å; L167-V171 PolarHBondContact O-N 3.45Å; D168-V171 PolarHBondContact O-N 3.48Å; V171-R173 PolarHBondContact O-N 3.26Å; V171-S174 PolarHBondContact O-N 2.97Å; V171-L177 HydrophobicContact CB-CD1 4.27Å; V171-L177 HydrophobicContact CG1-CD1 3.8Å; V171-L177 HydrophobicContact CG2-CD1 4.32Å; V171-K182 HydrophobicContact CG1-CG 4.24Å; V171-K182 WeakPolarHBondContact O-CE 3.25Å; V171-Y185 HydrophobicContact CB-CD1 4.45Å; V171-Y185 HydrophobicContact CB-CE1 4.4Å; V171-Y185 HydrophobicContact CG1-CD1 3.84Å; V171-Y185 HydrophobicContact CG1-CE1 4.27Å; V171-Y185 HydrophobicContact CG1-CG 4.35Å; V171-Y185 HydrophobicContact CG2-CD1 4.37Å; V171-Y185 HydrophobicContact CG2-CE1 4.18Å
172E92.3Very high90.6Very high142 Ų14281.9 Ų81.966%0.66442%0.415SS*.Hα-helixtrans-63-41.6180-173.1174.5-167.400112.1D168 K182D168-E172 WeakPolarHBondContact O-CB 3.14Å; D168-E172 PolarHBondContact O-N 2.89Å; E172-K182 PolarHBondContact O-NZ 3.02Å
173R91.7Very high90.8Very high200 Ų20083.6 Ų83.676%0.75542%0.417SS*.Hα-helixtrans-79.3-16.3-179.7-68.1174.6-174.5-179.63.1114.4D169 L170 V171 E175D169-R173 WeakPolarHBondContact O-CB 3.32Å; D169-R173 VanDerWaalsContact O-CG 3.25Å; D169-R173 WeakPolarHBondContact O-CG 3.38Å; D169-R173 PolarHBondContact O-N 2.92Å; L170-R173 PolarHBondContact O-N 3.25Å; V171-R173 PolarHBondContact O-N 3.26Å; R173-E175 PolarHBondContact O-N 3.47Å
174S90.9Very high90.9Very high20 Ų2074.5 Ų74.514%0.1439%0.385CS..  trans-64.1122.8-176.7-1760000111.5F42 L170 V171 G176 K182F42-S174 WeakPolarHBondContact CD2-OG 3.32Å; L170-S174 WeakPolarHBondContact O-CB 3.2Å; L170-S174 PolarHBondContact O-N 2.78Å; V171-S174 PolarHBondContact O-N 2.97Å; S174-G176 VanDerWaalsContact C-N 3.3Å; S174-G176 PolarHBondContact OG-N 3.33Å; S174-K182 WeakPolarHBondContact O-CE 3.39Å; S174-K182 PolarHBondContact O-NZ 3.48Å
175E90.7Very high91Very high198 Ų19873 Ų7393%0.92536%0.356SS*.THydrogen-bonded Turntrans-76.8-19.6171.8-62.9-174.5165.800112.3R173 L177R173-E175 PolarHBondContact O-N 3.47Å; E175-L177 VanDerWaalsContact C-N 3.28Å; E175-L177 PolarHBondContact O-N 3.05Å
176G86.7Confident90.8Very high42 Ų4273.3 Ų73.343%0.43336%0.362SS..THydrogen-bonded Turntrans-80.2-6.3178.300000114.4S174S174-G176 VanDerWaalsContact C-N 3.3Å; S174-G176 PolarHBondContact OG-N 3.33Å
177L91.4Very high90.7Very high7 Ų771.2 Ų71.24%0.03736%0.36CS..SBendtrans-106.5123.6177.1-64.2179.6000109.6E38 F39 F42 V171 E175 K182E38-L177 HydrophobicContact CB-CD2 3.76Å; E38-L177 WeakPolarHBondContact O-CD2 3.42Å; F39-L177 HydrophobicContact CD2-CD2 4.13Å; F39-L177 HydrophobicContact CE1-CD1 4.12Å; F39-L177 HydrophobicContact CE2-CD1 4.24Å; F39-L177 HydrophobicContact CE2-CD2 4.14Å; F39-L177 HydrophobicContact CG-CD2 4.39Å; F39-L177 HydrophobicContact CZ-CD1 3.79Å; F39-L177 HydrophobicContact CZ-CD2 4.42Å; F42-L177 HydrophobicContact CB-CD1 4.4Å; F42-L177 HydrophobicContact CB-CD2 3.87Å; F42-L177 HydrophobicContact CB-CG 4.22Å; F42-L177 HydrophobicContact CD1-CD1 4.3Å; F42-L177 HydrophobicContact CD2-CD1 4.29Å; F42-L177 HydrophobicContact CG-CD1 4.06Å; F42-L177 HydrophobicContact CG-CD2 4.41Å; F42-L177 HydrophobicContact CG-CG 4.33Å; V171-L177 HydrophobicContact CB-CD1 4.27Å; V171-L177 HydrophobicContact CG1-CD1 3.8Å; V171-L177 HydrophobicContact CG2-CD1 4.32Å; E175-L177 VanDerWaalsContact C-N 3.28Å; E175-L177 PolarHBondContact O-N 3.05Å; L177-K182 HydrophobicContact CB-CG 3.92Å; L177-K182 VanDerWaalsContact O-CE 3.24Å; L177-K182 WeakPolarHBondContact O-CE 3.46Å
178S93.8Very high90.4Very high44 Ų4472.3 Ų72.331%0.30837%0.371SS..  trans-64.8159.3171.567.40000111.3E38 Q180 S181 K182E38-S178 PolarHBondContact OE1-OG 2.9Å; E38-S178 WeakPolarHBondContact OE2-CB 3.47Å; E38-S178 PolarHBondContact OE2-N 2.82Å; E38-S178 PolarHBondContact OE2-OG 3.46Å; S178-Q180 PolarHBondContact O-N 3.01Å; S178-S181 PolarHBondContact O-N 2.79Å; S178-S181 VanDerWaalsContact O-N 3.08Å; S178-S181 PolarHBondContact OG-N 3.41Å; S178-S181 PolarHBondContact OG-OG 3.29Å; S178-K182 WeakPolarHBondContact O-CG 3.41Å; S178-K182 PolarHBondContact O-N 3.14Å
179L92.2Very high90Very high132 Ų13272.1 Ų72.169%0.69137%0.368SS*.Hα-helixtrans-55.5-38.8175-176.965.2000111.4K182 M183L179-K182 PolarHBondContact O-N 3.19Å; L179-M183 WeakPolarHBondContact O-CG 3.34Å; L179-M183 PolarHBondContact O-N 3.49Å
180Q91.2Very high89.5Confident117 Ų11776.4 Ų76.455%0.54738%0.384SS..Hα-helixtrans-61.6-45.2176.8-176.9177.8-0.900111.5S178 M183 F184S178-Q180 PolarHBondContact O-N 3.01Å; Q180-M183 PolarHBondContact O-N 3.06Å; Q180-F184 WeakPolarHBondContact O-CB 2.8Å; Q180-F184 PolarHBondContact O-N 3.26Å
181S92Very high88.7Confident0 Ų079 Ų790%040%0.401CS..Hα-helixtrans-64.9-44.1177.8-600000111.9S35 E38 F39 S178 M183 F184 Y185S35-S181 WeakPolarHBondContact CA-OG 3.36Å; S35-S181 WeakPolarHBondContact CB-OG 3.38Å; S35-S181 PolarHBondContact OG-OG 3.27Å; E38-S181 VanDerWaalsContact CD-OG 3.28Å; E38-S181 WeakPolarHBondContact OE2-CB 3.13Å; E38-S181 PolarHBondContact OE2-OG 2.85Å; F39-S181 VanDerWaalsContact CE2-O 3.31Å; F39-S181 WeakPolarHBondContact CE2-O 3.29Å; S178-S181 PolarHBondContact O-N 2.79Å; S178-S181 VanDerWaalsContact O-N 3.08Å; S178-S181 PolarHBondContact OG-N 3.41Å; S178-S181 PolarHBondContact OG-OG 3.29Å; S181-M183 VanDerWaalsContact C-N 3.3Å; S181-M183 PolarHBondContact O-N 3.36Å; S181-F184 WeakPolarHBondContact O-CB 3.49Å; S181-F184 PolarHBondContact O-N 2.77Å; S181-F184 VanDerWaalsContact O-N 3.13Å; S181-Y185 PolarHBondContact O-N 3.42Å
182K92.3Very high87.3Confident49 Ų4984 Ų8421%0.21343%0.428CS..Hα-helixtrans-58.4-43174.7-65.9179-174.3-178.70111.4V171 E172 S174 L177 S178 L179 Y185 T186V171-K182 HydrophobicContact CG1-CG 4.24Å; V171-K182 WeakPolarHBondContact O-CE 3.25Å; E172-K182 PolarHBondContact O-NZ 3.02Å; S174-K182 WeakPolarHBondContact O-CE 3.39Å; S174-K182 PolarHBondContact O-NZ 3.48Å; L177-K182 HydrophobicContact CB-CG 3.92Å; L177-K182 VanDerWaalsContact O-CE 3.24Å; L177-K182 WeakPolarHBondContact O-CE 3.46Å; S178-K182 WeakPolarHBondContact O-CG 3.41Å; S178-K182 PolarHBondContact O-N 3.14Å; L179-K182 PolarHBondContact O-N 3.19Å; K182-Y185 PolarHBondContact O-N 2.75Å; K182-T186 WeakPolarHBondContact O-CG2 3.39Å; K182-T186 PolarHBondContact O-N 2.73Å; K182-T186 VanDerWaalsContact O-N 3.08Å; K182-T186 PolarHBondContact O-OG1 3.32Å
183M90.1Very high85.6Confident110 Ų11084 Ų8454%0.54243%0.425SS..Hα-helixtrans-65.7-39.7174.5-72.7-152.9-66.600112.8L179 Q180 S181 Y185 T186 T187L179-M183 WeakPolarHBondContact O-CG 3.34Å; L179-M183 PolarHBondContact O-N 3.49Å; Q180-M183 PolarHBondContact O-N 3.06Å; S181-M183 VanDerWaalsContact C-N 3.3Å; S181-M183 PolarHBondContact O-N 3.36Å; M183-Y185 PolarHBondContact O-N 3.28Å; M183-T186 WeakPolarHBondContact CA-OG1 3.43Å; M183-T186 PolarHBondContact O-N 2.72Å; M183-T186 PolarHBondContact O-OG1 2.92Å; M183-T187 VanDerWaalsContact O-CB 3.31Å; M183-T187 WeakPolarHBondContact O-CB 3.48Å; M183-T187 PolarHBondContact O-N 3.38Å; M183-T187 PolarHBondContact O-OG1 3.14Å
184F88.8Confident83.4Confident71 Ų7179.4 Ų79.431%0.31142%0.423SS..Hα-helixtrans-57.8-47.9175.6176.8-100000111.4Q32 Q180 S181 T187 A188Q32-F184 HydrophobicContact CB-CE2 4.47Å; Q32-F184 HydrophobicContact CG-CE2 3.91Å; Q32-F184 HydrophobicContact CG-CZ 4.4Å; Q180-F184 WeakPolarHBondContact O-CB 2.8Å; Q180-F184 PolarHBondContact O-N 3.26Å; S181-F184 WeakPolarHBondContact O-CB 3.49Å; S181-F184 PolarHBondContact O-N 2.77Å; S181-F184 VanDerWaalsContact O-N 3.13Å; F184-T187 PolarHBondContact O-N 2.82Å; F184-A188 WeakPolarHBondContact O-CB 3.47Å; F184-A188 PolarHBondContact O-N 3.07Å
185Y88.2Confident81Confident41 Ų4184 Ų8416%0.16145%0.453CS..Hα-helixtrans-62.7-48.4177.5169.4-96.3000113.1F39 D168 V171 S181 K182 M183 T187 A188 K189F39-Y185 AromaticContact CE1-CD2 3.67Å; F39-Y185 HydrophobicContact CE1-CD2 3.67Å; F39-Y185 HydrophobicContact CE1-CE2 4.4Å; F39-Y185 AromaticContact CE1-CG 3.91Å; F39-Y185 HydrophobicContact CE1-CG 3.91Å; F39-Y185 HydrophobicContact CE2-CG 4.49Å; F39-Y185 HydrophobicContact CZ-CD1 4.45Å; F39-Y185 AromaticContact CZ-CD2 3.83Å; F39-Y185 HydrophobicContact CZ-CD2 3.83Å; F39-Y185 AromaticContact CZ-CG 3.6Å; F39-Y185 HydrophobicContact CZ-CG 3.6Å; D168-Y185 VanDerWaalsContact OD1-CE1 3.29Å; D168-Y185 WeakPolarHBondContact OD1-CE1 3.19Å; D168-Y185 PolarHBondContact OD1-OH 3.17Å; V171-Y185 HydrophobicContact CB-CD1 4.45Å; V171-Y185 HydrophobicContact CB-CE1 4.4Å; V171-Y185 HydrophobicContact CG1-CD1 3.84Å; V171-Y185 HydrophobicContact CG1-CE1 4.27Å; V171-Y185 HydrophobicContact CG1-CG 4.35Å; V171-Y185 HydrophobicContact CG2-CD1 4.37Å; V171-Y185 HydrophobicContact CG2-CE1 4.18Å; S181-Y185 PolarHBondContact O-N 3.42Å; K182-Y185 PolarHBondContact O-N 2.75Å; M183-Y185 PolarHBondContact O-N 3.28Å; Y185-T187 VanDerWaalsContact C-N 3.25Å; Y185-T187 PolarHBondContact O-N 3.16Å; Y185-A188 PolarHBondContact O-N 3.42Å; Y185-K189 HydrophobicContact CE1-CD 4.48Å; Y185-K189 WeakPolarHBondContact O-CB 3.25Å; Y185-K189 PolarHBondContact O-N 2.95Å
186T87.9Confident78.4Confident66 Ų6680.9 Ų80.941%0.40545%0.448SS..Hα-helixtrans-62.2-35.9179.253.40000111.8K182 M183 K190K182-T186 WeakPolarHBondContact O-CG2 3.39Å; K182-T186 PolarHBondContact O-N 2.73Å; K182-T186 VanDerWaalsContact O-N 3.08Å; K182-T186 PolarHBondContact O-OG1 3.32Å; M183-T186 WeakPolarHBondContact CA-OG1 3.43Å; M183-T186 PolarHBondContact O-N 2.72Å; M183-T186 PolarHBondContact O-OG1 2.92Å; T186-K190 WeakPolarHBondContact O-CG 3.27Å; T186-K190 PolarHBondContact O-N 3Å
187T87.4Confident75.6Confident82 Ų8286.1 Ų86.150%0.50346%0.464SS..Hα-helixtrans-69.6-50177.3-55.60000111.1M183 F184 Y185 K189 K190 T191M183-T187 VanDerWaalsContact O-CB 3.31Å; M183-T187 WeakPolarHBondContact O-CB 3.48Å; M183-T187 PolarHBondContact O-N 3.38Å; M183-T187 PolarHBondContact O-OG1 3.14Å; F184-T187 PolarHBondContact O-N 2.82Å; Y185-T187 VanDerWaalsContact C-N 3.25Å; Y185-T187 PolarHBondContact O-N 3.16Å; T187-K189 VanDerWaalsContact C-N 3.28Å; T187-K189 PolarHBondContact O-N 3.1Å; T187-K190 WeakPolarHBondContact O-CB 3.47Å; T187-K190 PolarHBondContact O-N 2.95Å; T187-T191 PolarHBondContact O-N 2.66Å; T187-T191 PolarHBondContact O-OG1 2.82Å; T187-T191 VanDerWaalsContact O-OG1 3.13Å
188A84.2Confident72.7Confident37 Ų3797.6 Ų97.631%0.30652%0.524SS..Hα-helixtrans-57.6-40.6177.800000112.2F184 Y185 K190 T191 N192F184-A188 WeakPolarHBondContact O-CB 3.47Å; F184-A188 PolarHBondContact O-N 3.07Å; Y185-A188 PolarHBondContact O-N 3.42Å; A188-K190 VanDerWaalsContact C-N 3.35Å; A188-K190 PolarHBondContact O-N 2.92Å; A188-T191 PolarHBondContact O-N 3.01Å; A188-N192 PolarHBondContact O-N 2.99Å; A188-N192 PolarHBondContact O-ND2 2.71Å
189K82.4Confident71.6Confident57 Ų57100.3 Ų100.325%0.24854%0.535CS..Hα-helixtrans-64.3-36.9176.2-167177.3-171174.20112.5D168 Y185 T187 K193D168-K189 IonicContact OD1-NZ 2.82Å; D168-K189 PolarHBondContact OD1-NZ 3.29Å; D168-K189 IonicContact OD2-NZ 3.3Å; D168-K189 PolarHBondContact OD2-NZ 2.93Å; Y185-K189 HydrophobicContact CE1-CD 4.48Å; Y185-K189 WeakPolarHBondContact O-CB 3.25Å; Y185-K189 PolarHBondContact O-N 2.95Å; T187-K189 VanDerWaalsContact C-N 3.28Å; T187-K189 PolarHBondContact O-N 3.1Å; K189-K193 VanDerWaalsContact O-CG 3.29Å; K189-K193 WeakPolarHBondContact O-CG 2.92Å; K189-K193 PolarHBondContact O-N 2.91Å
190K80.9Confident70.5Confident149 Ų14998.6 Ų98.665%0.64853%0.527SS*.Hα-helixtrans-68.3-44.1175.3-74.1174.9-177.3178.70111.2T186 T187 A188 N192 K193 C194T186-K190 WeakPolarHBondContact O-CG 3.27Å; T186-K190 PolarHBondContact O-N 3Å; T187-K190 WeakPolarHBondContact O-CB 3.47Å; T187-K190 PolarHBondContact O-N 2.95Å; A188-K190 VanDerWaalsContact C-N 3.35Å; A188-K190 PolarHBondContact O-N 2.92Å; K190-N192 PolarHBondContact O-N 3.23Å; K190-K193 PolarHBondContact O-N 2.96Å; K190-K193 VanDerWaalsContact O-N 3.15Å; K190-C194 PolarHBondContact O-N 3.36Å
191T75.1Confident69.4Low91 Ų9197.6 Ų97.656%0.55853%0.526SS*.Hα-helixtrans-62.4-42.1-179.8-51.50000112T187 A188 K193 C194T187-T191 PolarHBondContact O-N 2.66Å; T187-T191 PolarHBondContact O-OG1 2.82Å; T187-T191 VanDerWaalsContact O-OG1 3.13Å; A188-T191 PolarHBondContact O-N 3.01Å; T191-K193 VanDerWaalsContact C-N 3.26Å; T191-K193 PolarHBondContact O-N 3.2Å; T191-C194 PolarHBondContact O-N 2.69Å
192N63.7Low68Low110 Ų110103.4 Ų103.459%0.58856%0.557SS**Hα-helixtrans-70.8-18177.5-73.2-28.1000114.2A188 K190A188-N192 PolarHBondContact O-N 2.99Å; A188-N192 PolarHBondContact O-ND2 2.71Å; K190-N192 PolarHBondContact O-N 3.23Å
193K56.4Low66.5Low140 Ų140106.8 Ų106.861%0.60958%0.578SS**Hα-helixtrans-82.3-16.3175.2-77177.7177-169.50113.3K189 K190 T191 C195K189-K193 VanDerWaalsContact O-CG 3.29Å; K189-K193 WeakPolarHBondContact O-CG 2.92Å; K189-K193 PolarHBondContact O-N 2.91Å; K190-K193 PolarHBondContact O-N 2.96Å; K190-K193 VanDerWaalsContact O-N 3.15Å; T191-K193 VanDerWaalsContact C-N 3.26Å; T191-K193 PolarHBondContact O-N 3.2Å; K193-C195 VanDerWaalsContact C-N 3.29Å; K193-C195 PolarHBondContact O-N 2.63Å
194C45.4Very low65Low105 Ų105106.5 Ų106.571%0.70958%0.581SS**THydrogen-bonded Turntrans-84.111.2-174-92.60000115.2K190 T191K190-C194 PolarHBondContact O-N 3.36Å; T191-C194 PolarHBondContact O-N 2.69Å
195C40.5Very low63.3Low115 Ų115109.1 Ų109.178%0.77760%0.6SS**THydrogen-bonded Turntrans-106.430.8177.3-64.80000114.3K193K193-C195 VanDerWaalsContact C-N 3.29Å; K193-C195 PolarHBondContact O-N 2.63Å
196V36.1Very low61.3Low134 Ų134114.3 Ų114.381%0.81263%0.634SS**  trans-10025.5169.1-156.90000111.7
197I27.2Very low59.1Low151 Ų151118.3 Ų118.377%0.77465%0.653SS**  trans-123.983.9173.6-48.9178.3000108
198L30.2Very low56.6Low249 Ų249121.6 Ų121.6100%1.30467%0.667SS**  trans179.80140.7-95156.2000109.5

Retrieved 198 of 198 residues in 151.2 ms (Link to these results)

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