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Inositol polyphosphate 1-phosphatase

Mg(2+)-dependent phosphatase that catalyzes the hydrolysis of the 1-position phosphate from inositol 1,4-bisphosphate and inositol 1,3,4-trisphosphate and participates in inositol phosphate metabolism.

AlphaFold DB , UniProt , Accession A0A060WFL6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110494163, Length 389 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
1M87.3Confident93.4Very high35 Ų3526.5 Ų26.517%0.17213%0.127CC..  031.80-66.4-54.9-83.400114.9L4 L5 F69 M72 I143 L145 P147 L150 M200M1-L4 HydrophobicContact CB-CB 4.44Å; M1-L4 HydrophobicContact CE-CB 3.46Å; M1-L4 VanDerWaalsContact CE-CB 3.46Å; M1-L4 HydrophobicContact CE-CD2 3.42Å; M1-L4 VanDerWaalsContact CE-CD2 3.42Å; M1-L4 HydrophobicContact CE-CG 3.97Å; M1-L4 HydrophobicContact SD-CB 4.47Å; M1-L5 PolarHBondContact O-N 2.86Å; M1-F69 HydrophobicContact CE-CD1 4.16Å; M1-F69 HydrophobicContact CE-CE1 3.93Å; M1-F69 HydrophobicContact SD-CE1 4.26Å; M1-M72 HydrophobicContact CE-SD 4.36Å; M1-I143 HydrophobicContact CB-CB 4.17Å; M1-I143 HydrophobicContact CB-CG2 4.07Å; M1-I143 PolarHBondContact N-O 2.63Å; M1-L145 HydrophobicContact CB-CB 4.19Å; M1-L145 HydrophobicContact CG-CB 3.61Å; M1-L145 WeakPolarHBondContact CG-O 3.49Å; M1-P147 HydrophobicContact CE-CB 4.27Å; M1-P147 HydrophobicContact CE-CG 3.82Å; M1-P147 HydrophobicContact SD-CG 3.84Å; M1-L150 HydrophobicContact CE-CD1 3.77Å; M1-L150 HydrophobicContact CG-CD1 4.39Å; M1-M200 HydrophobicContact CB-CE 4.49Å
2A88.3Confident93.7Very high15 Ų1524.3 Ų24.312%0.12412%0.117CC..Hα-helixtrans-67.6-38170.900000111.8L4 L5 K6 L141A2-L4 VanDerWaalsContact C-N 3.31Å; A2-L4 PolarHBondContact O-N 2.8Å; A2-L5 WeakPolarHBondContact O-CB 3.35Å; A2-L5 PolarHBondContact O-N 2.88Å; A2-L5 VanDerWaalsContact O-N 3.12Å; A2-K6 WeakPolarHBondContact O-CG 3.27Å; A2-K6 PolarHBondContact O-N 3Å; A2-L141 WeakPolarHBondContact CB-O 3.3Å
3D91.5Very high93.8Very high102 Ų10225.2 Ų25.255%0.54512%0.12SC..Hα-helixtrans-64.4-35.1179.8-59.7-38.3000112.4K6 L7 F69D3-K6 PolarHBondContact O-N 2.91Å; D3-L7 WeakPolarHBondContact O-CB 3.46Å; D3-L7 PolarHBondContact O-N 3.11Å; D3-F69 HydrophobicContact CB-CZ 4.29Å
4L94.8Very high93.9Very high0 Ų024.2 Ų24.20%012%0.116CC..Hα-helixtrans-60.8-48.4171.3178.164.4000110.4M1 A2 K6 L7 L8 V65 F69 M72 L150 V190 M200M1-L4 HydrophobicContact CB-CB 4.44Å; M1-L4 HydrophobicContact CE-CB 3.46Å; M1-L4 VanDerWaalsContact CE-CB 3.46Å; M1-L4 HydrophobicContact CE-CD2 3.42Å; M1-L4 VanDerWaalsContact CE-CD2 3.42Å; M1-L4 HydrophobicContact CE-CG 3.97Å; M1-L4 HydrophobicContact SD-CB 4.47Å; A2-L4 VanDerWaalsContact C-N 3.31Å; A2-L4 PolarHBondContact O-N 2.8Å; L4-K6 VanDerWaalsContact C-N 3.32Å; L4-K6 PolarHBondContact O-N 3.15Å; L4-L7 CarbonylContact O-C 3.56Å; L4-L7 WeakPolarHBondContact O-CB 3.34Å; L4-L7 PolarHBondContact O-N 2.82Å; L4-L7 VanDerWaalsContact O-N 3.13Å; L4-L8 HydrophobicContact CD1-CD1 4.44Å; L4-L8 HydrophobicContact CD1-CD2 4.15Å; L4-L8 HydrophobicContact CD1-CG 4.05Å; L4-L8 HydrophobicContact CG-CD1 4.2Å; L4-L8 HydrophobicContact CG-CG 4.17Å; L4-L8 VanDerWaalsContact O-CG 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.45Å; L4-L8 PolarHBondContact O-N 3.19Å; L4-V65 HydrophobicContact CD1-CG1 4.34Å; L4-F69 HydrophobicContact CB-CE1 4.44Å; L4-F69 HydrophobicContact CB-CE2 4.04Å; L4-F69 HydrophobicContact CB-CZ 3.88Å; L4-F69 HydrophobicContact CD1-CD2 3.85Å; L4-F69 HydrophobicContact CD1-CE2 3.85Å; L4-F69 HydrophobicContact CD1-CG 4.48Å; L4-F69 HydrophobicContact CD1-CZ 4.48Å; L4-M72 HydrophobicContact CD1-CE 4.5Å; L4-M72 HydrophobicContact CD1-SD 4.3Å; L4-M72 HydrophobicContact CD2-CE 3.97Å; L4-M72 HydrophobicContact CD2-SD 4.11Å; L4-L150 HydrophobicContact CD2-CD1 3.94Å; L4-V190 HydrophobicContact CD2-CG1 4.4Å; L4-V190 HydrophobicContact CD2-CG2 4.48Å; L4-M200 HydrophobicContact CD2-SD 4.36Å; L4-M200 HydrophobicContact CG-SD 4.33Å
5L94.9Very high94.1Very high0 Ų022.6 Ų22.60%011%0.108CC..Hα-helixtrans-58.3-43.8178177.860.2000112M1 A2 L7 L8 L9 T138 L141 M200 V202 W221 V223M1-L5 PolarHBondContact O-N 2.86Å; A2-L5 WeakPolarHBondContact O-CB 3.35Å; A2-L5 PolarHBondContact O-N 2.88Å; A2-L5 VanDerWaalsContact O-N 3.12Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 3.2Å; L5-L8 PolarHBondContact O-N 3.18Å; L5-L9 HydrophobicContact CD1-CD1 4.45Å; L5-L9 HydrophobicContact CD1-CG 4.44Å; L5-L9 HydrophobicContact CG-CD1 4.3Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.38Å; L5-T138 HydrophobicContact CD2-CG2 3.57Å; L5-T138 HydrophobicContact CG-CG2 4.1Å; L5-L141 HydrophobicContact CD2-CD1 4.11Å; L5-M200 HydrophobicContact CB-CE 3.93Å; L5-M200 HydrophobicContact CB-SD 3.74Å; L5-M200 HydrophobicContact CD1-CG 4.03Å; L5-M200 HydrophobicContact CD1-SD 3.96Å; L5-M200 HydrophobicContact CG-SD 4.43Å; L5-V202 HydrophobicContact CD1-CG2 4.12Å; L5-W221 HydrophobicContact CD1-CB 3.98Å; L5-W221 HydrophobicContact CD1-CD2 4.48Å; L5-W221 HydrophobicContact CD1-CE3 4.45Å; L5-W221 HydrophobicContact CD1-CG 4.3Å; L5-W221 HydrophobicContact CD2-CD2 4.07Å; L5-W221 HydrophobicContact CD2-CE3 3.71Å; L5-W221 HydrophobicContact CD2-CZ3 4.04Å; L5-V223 HydrophobicContact CD2-CG2 3.86Å
6K93.1Very high94.2Very high40 Ų4021.2 Ų21.217%0.17410%0.101CC..Hα-helixtrans-61.7-40.6176.3-66.9175.7-166.1-178.40111.8A2 D3 L4 R10 L133 D139A2-K6 WeakPolarHBondContact O-CG 3.27Å; A2-K6 PolarHBondContact O-N 3Å; D3-K6 PolarHBondContact O-N 2.91Å; L4-K6 VanDerWaalsContact C-N 3.32Å; L4-K6 PolarHBondContact O-N 3.15Å; K6-R10 PolarHBondContact O-N 3.3Å; K6-R10 VanDerWaalsContact O-N 3.12Å; K6-L133 HydrophobicContact CB-CD2 4.32Å; K6-D139 WeakPolarHBondContact CE-OD1 3.24Å; K6-D139 IonicContact NZ-OD1 3.21Å; K6-D139 PolarHBondContact NZ-OD1 3.34Å
7L94.6Very high94.3Very high6 Ų622.3 Ų22.33%0.03111%0.108CC..Hα-helixtrans-64.4-47.1174.4-179.957.7000111.2D3 L4 L5 L9 R10 V11 V65 Q68 F69D3-L7 WeakPolarHBondContact O-CB 3.46Å; D3-L7 PolarHBondContact O-N 3.11Å; L4-L7 CarbonylContact O-C 3.56Å; L4-L7 WeakPolarHBondContact O-CB 3.34Å; L4-L7 PolarHBondContact O-N 2.82Å; L4-L7 VanDerWaalsContact O-N 3.13Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 3.2Å; L7-L9 VanDerWaalsContact C-N 3.3Å; L7-L9 PolarHBondContact O-N 2.87Å; L7-R10 WeakPolarHBondContact O-CA 3.28Å; L7-R10 WeakPolarHBondContact O-CB 3.5Å; L7-R10 PolarHBondContact O-N 3.49Å; L7-V11 HydrophobicContact CD1-CG1 3.88Å; L7-V11 HydrophobicContact CG-CG1 4.33Å; L7-V11 WeakPolarHBondContact O-CG2 3.45Å; L7-V11 PolarHBondContact O-N 3.25Å; L7-V65 HydrophobicContact CD2-CB 4.49Å; L7-V65 HydrophobicContact CD2-CG2 4.25Å; L7-V65 HydrophobicContact CG-CG2 4.46Å; L7-Q68 HydrophobicContact CD2-CB 3.77Å; L7-Q68 HydrophobicContact CD2-CG 4.04Å; L7-F69 HydrophobicContact CB-CE2 4.5Å; L7-F69 HydrophobicContact CD2-CD2 3.77Å; L7-F69 HydrophobicContact CD2-CE2 3.66Å
8L96.6Very high94.4Very high0 Ų021.1 Ų21.10%010%0.102CC..Hα-helixtrans-59.2-40.8178.6-67.5-171.3000112L4 L5 V11 A12 V65 I152 I188 V190 M200 V202L4-L8 HydrophobicContact CD1-CD1 4.44Å; L4-L8 HydrophobicContact CD1-CD2 4.15Å; L4-L8 HydrophobicContact CD1-CG 4.05Å; L4-L8 HydrophobicContact CG-CD1 4.2Å; L4-L8 HydrophobicContact CG-CG 4.17Å; L4-L8 VanDerWaalsContact O-CG 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.45Å; L4-L8 PolarHBondContact O-N 3.19Å; L5-L8 PolarHBondContact O-N 3.18Å; L8-V11 HydrophobicContact CD2-CG2 4.35Å; L8-V11 WeakPolarHBondContact O-CG2 3.37Å; L8-A12 WeakPolarHBondContact O-CB 3.13Å; L8-A12 PolarHBondContact O-N 3.43Å; L8-V65 HydrophobicContact CD2-CG2 3.84Å; L8-I152 HydrophobicContact CD2-CD1 4.28Å; L8-I188 HydrophobicContact CD1-CG2 4.26Å; L8-I188 HydrophobicContact CD2-CG2 4.01Å; L8-V190 HydrophobicContact CD1-CG2 3.44Å; L8-V190 VanDerWaalsContact CD1-CG2 3.44Å; L8-M200 HydrophobicContact CD1-SD 3.84Å; L8-V202 HydrophobicContact CB-CG2 3.78Å
9L95.4Very high94.5Very high0 Ų020 Ų200%010%0.097CC..Hα-helixtrans-62.1-42173.4-73.9168.4000112.3L5 L7 E13 L131 L133 T136 T138 V202 H219 W221L5-L9 HydrophobicContact CD1-CD1 4.45Å; L5-L9 HydrophobicContact CD1-CG 4.44Å; L5-L9 HydrophobicContact CG-CD1 4.3Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.38Å; L7-L9 VanDerWaalsContact C-N 3.3Å; L7-L9 PolarHBondContact O-N 2.87Å; L9-E13 PolarHBondContact O-N 3.28Å; L9-E13 VanDerWaalsContact O-N 3.11Å; L9-L131 HydrophobicContact CB-CD2 4.06Å; L9-L133 HydrophobicContact CB-CD2 4.44Å; L9-T136 HydrophobicContact CD1-CG2 4.05Å; L9-T138 HydrophobicContact CD1-CG2 4.06Å; L9-V202 HydrophobicContact CD2-CG1 4.02Å; L9-V202 HydrophobicContact CD2-CG2 4.26Å; L9-V202 HydrophobicContact CG-CG2 4.4Å; L9-H219 HydrophobicContact CD2-CB 4.45Å; L9-W221 HydrophobicContact CD1-CG 4.4Å; L9-W221 HydrophobicContact CD2-CB 4.11Å; L9-W221 HydrophobicContact CD2-CG 4.26Å
10R94.6Very high94.5Very high93 Ų9319.9 Ų19.935%0.35110%0.095SC..Hα-helixtrans-65.3-49177.6-173.9-175-62.5172.52.6111.7K6 L7 A12 E13 K14 A129K6-R10 PolarHBondContact O-N 3.3Å; K6-R10 VanDerWaalsContact O-N 3.12Å; L7-R10 WeakPolarHBondContact O-CA 3.28Å; L7-R10 WeakPolarHBondContact O-CB 3.5Å; L7-R10 PolarHBondContact O-N 3.49Å; R10-A12 VanDerWaalsContact C-N 3.35Å; R10-E13 PolarHBondContact O-N 3.4Å; R10-K14 WeakPolarHBondContact O-CB 3.5Å; R10-K14 PolarHBondContact O-N 2.9Å; R10-A129 HydrophobicContact CG-CB 4.23Å
11V96.1Very high94.5Very high0 Ų019.9 Ų19.90%010%0.097CC..Hα-helixtrans-70.5-31.4-178.5-570000111.8L7 L8 K14 A15 I61 D64 V65 I188L7-V11 HydrophobicContact CD1-CG1 3.88Å; L7-V11 HydrophobicContact CG-CG1 4.33Å; L7-V11 WeakPolarHBondContact O-CG2 3.45Å; L7-V11 PolarHBondContact O-N 3.25Å; L8-V11 HydrophobicContact CD2-CG2 4.35Å; L8-V11 WeakPolarHBondContact O-CG2 3.37Å; V11-K14 WeakPolarHBondContact O-CB 3.45Å; V11-K14 PolarHBondContact O-N 3Å; V11-A15 WeakPolarHBondContact O-CB 3.4Å; V11-A15 PolarHBondContact O-N 2.72Å; V11-I61 HydrophobicContact CB-CG1 4.23Å; V11-I61 HydrophobicContact CG2-CG1 4.21Å; V11-I61 HydrophobicContact CG2-CG2 4.04Å; V11-D64 HydrophobicContact CG1-CB 3.58Å; V11-V65 HydrophobicContact CG2-CG2 4.49Å; V11-I188 HydrophobicContact CG2-CD1 3.95Å
12A96.8Very high94.8Very high0 Ų018.2 Ų18.20%09%0.088CC..Hα-helixtrans-66.5-38.4172.400000112L8 R10 A15 A16 I188 V202 N204L8-A12 WeakPolarHBondContact O-CB 3.13Å; L8-A12 PolarHBondContact O-N 3.43Å; R10-A12 VanDerWaalsContact C-N 3.35Å; A12-A15 PolarHBondContact O-N 3.12Å; A12-A16 WeakPolarHBondContact O-CB 3.45Å; A12-A16 PolarHBondContact O-N 3.16Å; A12-I188 HydrophobicContact CB-CD1 3.9Å; A12-V202 HydrophobicContact CB-CG1 3.63Å; A12-N204 HydrophobicContact CB-CB 4.03Å; A12-N204 PolarHBondContact O-ND2 3.48Å
13E95.6Very high95Very high36 Ų3619.7 Ų19.717%0.1689%0.091CC..Hα-helixtrans-69.7-37.2173-17558.9-152.200112.4L9 R10 A15 A16 N17 R20 A129 L131 N204L9-E13 PolarHBondContact O-N 3.28Å; L9-E13 VanDerWaalsContact O-N 3.11Å; R10-E13 PolarHBondContact O-N 3.4Å; E13-A15 VanDerWaalsContact C-N 3.33Å; E13-A16 PolarHBondContact O-N 3.33Å; E13-N17 PolarHBondContact O-N 3.39Å; E13-R20 IonicContact OE1-CZ 2.64Å; E13-R20 IonicContact OE1-NH1 3.58Å; E13-R20 IonicContact OE1-NH2 3.25Å; E13-R20 PolarHBondContact OE1-NH2 3.11Å; E13-A129 HydrophobicContact CB-CB 4.32Å; E13-A129 HydrophobicContact CG-CB 4.27Å; E13-L131 HydrophobicContact CB-CD1 3.84Å; E13-L131 HydrophobicContact CG-CD1 3.71Å; E13-N204 WeakPolarHBondContact CA-ND2 3.15Å; E13-N204 PolarHBondContact N-ND2 3.17Å; E13-N204 PolarHBondContact OE2-ND2 3.17Å
14K95.6Very high95Very high12 Ų1220 Ų205%0.0529%0.089CC..Hα-helixtrans-60.9-43.4172.8-160.4179.3169.5-174.50111R10 V11 N17 V18 M60 D64 I125 Q127 A129R10-K14 WeakPolarHBondContact O-CB 3.5Å; R10-K14 PolarHBondContact O-N 2.9Å; V11-K14 WeakPolarHBondContact O-CB 3.45Å; V11-K14 PolarHBondContact O-N 3Å; K14-N17 WeakPolarHBondContact O-CB 3.5Å; K14-N17 PolarHBondContact O-N 2.99Å; K14-N17 VanDerWaalsContact O-N 3.16Å; K14-V18 WeakPolarHBondContact O-CG2 3.39Å; K14-V18 PolarHBondContact O-N 2.92Å; K14-M60 HydrophobicContact CB-CE 4.05Å; K14-M60 HydrophobicContact CB-SD 4.04Å; K14-M60 HydrophobicContact CD-CE 4.34Å; K14-M60 HydrophobicContact CD-CG 4.25Å; K14-M60 HydrophobicContact CD-SD 3.58Å; K14-M60 VanDerWaalsContact CD-SD 3.58Å; K14-M60 HydrophobicContact CG-CE 4.21Å; K14-M60 HydrophobicContact CG-SD 3.52Å; K14-M60 VanDerWaalsContact CG-SD 3.52Å; K14-D64 IonicContact NZ-OD1 3.63Å; K14-D64 IonicContact NZ-OD2 2.69Å; K14-D64 PolarHBondContact NZ-OD2 2.78Å; K14-I125 WeakPolarHBondContact CE-O 3.37Å; K14-I125 PolarHBondContact NZ-O 2.86Å; K14-Q127 WeakPolarHBondContact CE-O 3.33Å; K14-A129 HydrophobicContact CB-CB 4.16Å
15A96.8Very high94.9Very high0 Ų023.7 Ų23.70%011%0.106CC..Hα-helixtrans-61.6-46.2174.500000111.6V11 A12 E13 N17 V18 A19 I57 M60 I61 V186V11-A15 WeakPolarHBondContact O-CB 3.4Å; V11-A15 PolarHBondContact O-N 2.72Å; A12-A15 PolarHBondContact O-N 3.12Å; E13-A15 VanDerWaalsContact C-N 3.33Å; A15-N17 VanDerWaalsContact C-N 3.25Å; A15-N17 PolarHBondContact O-N 2.83Å; A15-V18 PolarHBondContact O-N 3.49Å; A15-V18 VanDerWaalsContact O-N 3.15Å; A15-A19 PolarHBondContact O-N 3.17Å; A15-I57 HydrophobicContact CB-CG2 3.55Å; A15-M60 HydrophobicContact CB-CE 3.88Å; A15-I61 HydrophobicContact CB-CD1 4.23Å; A15-V186 HydrophobicContact CB-CG1 3.87Å; A15-V186 HydrophobicContact CB-CG2 3.98Å
16A96Very high94.7Very high0 Ų026.5 Ų26.50%013%0.129CC..Hα-helixtrans-59.8-35.9174.300000112.5A12 E13 R20 N204 P206A12-A16 WeakPolarHBondContact O-CB 3.45Å; A12-A16 PolarHBondContact O-N 3.16Å; E13-A16 PolarHBondContact O-N 3.33Å; A16-R20 WeakPolarHBondContact O-CG 3.36Å; A16-R20 PolarHBondContact O-N 3.03Å; A16-R20 PolarHBondContact O-NE 3.49Å; A16-N204 WeakPolarHBondContact CB-OD1 3.06Å; A16-P206 HydrophobicContact CB-CB 3.74Å; A16-P206 HydrophobicContact CB-CG 3.73Å
17N95.3Very high94.4Very high40 Ų4026.6 Ų26.621%0.21413%0.134CC..Hα-helixtrans-65.2-45.8173.8-173.160.4000111.9E13 K14 A15 A19 R20 V21E13-N17 PolarHBondContact O-N 3.39Å; K14-N17 WeakPolarHBondContact O-CB 3.5Å; K14-N17 PolarHBondContact O-N 2.99Å; K14-N17 VanDerWaalsContact O-N 3.16Å; A15-N17 VanDerWaalsContact C-N 3.25Å; A15-N17 PolarHBondContact O-N 2.83Å; N17-A19 PolarHBondContact O-N 2.86Å; N17-R20 PolarHBondContact O-N 2.92Å; N17-V21 WeakPolarHBondContact O-CB 3.3Å; N17-V21 WeakPolarHBondContact O-CG2 3.37Å; N17-V21 PolarHBondContact O-N 2.67Å
18V95.8Very high94.2Very high0 Ų026.3 Ų26.30%013%0.132CC..Hα-helixtrans-57.6-48.7174.9176.30000110.5K14 A15 R20 V21 C22 V56 I57 M60 A124 I125K14-V18 WeakPolarHBondContact O-CG2 3.39Å; K14-V18 PolarHBondContact O-N 2.92Å; A15-V18 PolarHBondContact O-N 3.49Å; A15-V18 VanDerWaalsContact O-N 3.15Å; V18-R20 VanDerWaalsContact C-N 3.3Å; V18-R20 PolarHBondContact O-N 3.26Å; V18-V21 PolarHBondContact O-N 2.97Å; V18-C22 PolarHBondContact O-N 2.91Å; V18-C22 PolarHBondContact O-SG 3.21Å; V18-C22 VanDerWaalsContact O-SG 3.33Å; V18-V56 HydrophobicContact CG1-CG2 4.32Å; V18-I57 HydrophobicContact CB-CD1 4.33Å; V18-I57 HydrophobicContact CB-CG1 4Å; V18-I57 HydrophobicContact CG1-CD1 4.17Å; V18-I57 HydrophobicContact CG1-CG1 3.8Å; V18-M60 HydrophobicContact CG2-SD 4.25Å; V18-A124 HydrophobicContact CG2-CB 4.01Å; V18-I125 HydrophobicContact CG2-CG1 4.3Å
19A95.6Very high93.7Very high1 Ų129.6 Ų29.61%0.00815%0.147CC..Hα-helixtrans-58.6-3917700000112.7A15 N17 I57 I157 Y163 P206A15-A19 PolarHBondContact O-N 3.17Å; N17-A19 PolarHBondContact O-N 2.86Å; A19-I57 HydrophobicContact CB-CD1 4.32Å; A19-I157 HydrophobicContact CB-CD1 4.38Å; A19-Y163 HydrophobicContact CB-CE2 4.21Å; A19-Y163 WeakPolarHBondContact O-CE2 3.23Å; A19-Y163 PolarHBondContact O-OH 2.92Å; A19-P206 HydrophobicContact CB-CG 4.45Å
20R95.1Very high93.2Very high18 Ų1836 Ų367%0.06818%0.177CC..Hα-helixtrans-68.1-45.8174.4-75.4-177.5-65.3-107.92112.2E13 A16 N17 V18 C22 R23 Q24 P206 F207E13-R20 IonicContact OE1-CZ 2.64Å; E13-R20 IonicContact OE1-NH1 3.58Å; E13-R20 IonicContact OE1-NH2 3.25Å; E13-R20 PolarHBondContact OE1-NH2 3.11Å; A16-R20 WeakPolarHBondContact O-CG 3.36Å; A16-R20 PolarHBondContact O-N 3.03Å; A16-R20 PolarHBondContact O-NE 3.49Å; N17-R20 PolarHBondContact O-N 2.92Å; V18-R20 VanDerWaalsContact C-N 3.3Å; V18-R20 PolarHBondContact O-N 3.26Å; R20-C22 VanDerWaalsContact C-N 3.32Å; R20-C22 PolarHBondContact O-N 2.81Å; R20-R23 PolarHBondContact O-N 3.43Å; R20-Q24 VanDerWaalsContact O-CG 3.28Å; R20-Q24 WeakPolarHBondContact O-CG 3.36Å; R20-Q24 PolarHBondContact O-N 3.1Å; R20-P206 HydrophobicContact CG-CB 4.34Å; R20-P206 PolarHBondContact NH1-O 3.12Å; R20-F207 HydrophobicContact CG-CD1 4.32Å; R20-F207 HydrophobicContact CG-CE1 3.74Å; R20-F207 HydrophobicContact CG-CZ 4.07Å
21V94.4Very high92.7Very high20 Ų2032.9 Ų32.912%0.12117%0.167CC..Hα-helixtrans-59.7-42.9-179.8165.80000111.1N17 V18 R23 Q24 E25 L28 A124N17-V21 WeakPolarHBondContact O-CB 3.3Å; N17-V21 WeakPolarHBondContact O-CG2 3.37Å; N17-V21 PolarHBondContact O-N 2.67Å; V18-V21 PolarHBondContact O-N 2.97Å; V21-R23 PolarHBondContact O-N 2.82Å; V21-R23 VanDerWaalsContact O-N 3.1Å; V21-Q24 PolarHBondContact O-N 3.25Å; V21-Q24 VanDerWaalsContact O-N 3.09Å; V21-E25 HydrophobicContact CG1-CG 3.9Å; V21-E25 PolarHBondContact O-N 2.73Å; V21-L28 HydrophobicContact CG1-CD1 3.75Å; V21-A124 HydrophobicContact CB-CB 4.24Å; V21-A124 HydrophobicContact CG1-CB 4.06Å; V21-A124 HydrophobicContact CG2-CB 4.25Å
22C93.8Very high91.9Very high0 Ų033 Ų330%017%0.167CC..Hα-helixtrans-56.2-27.1175.3-74.40000113.8V18 R20 L28 F29 L121 Y163V18-C22 PolarHBondContact O-N 2.91Å; V18-C22 PolarHBondContact O-SG 3.21Å; V18-C22 VanDerWaalsContact O-SG 3.33Å; R20-C22 VanDerWaalsContact C-N 3.32Å; R20-C22 PolarHBondContact O-N 2.81Å; C22-L28 CarbonylContact O-C 3.39Å; C22-F29 VanDerWaalsContact O-CA 3.25Å; C22-F29 WeakPolarHBondContact O-CA 3.35Å; C22-F29 PolarHBondContact O-N 3.07Å; C22-F29 VanDerWaalsContact O-N 3.12Å; C22-L121 VanDerWaalsContact SG-CD2 3.52Å; C22-Y163 WeakPolarHBondContact CB-OH 3.46Å
23R92.4Very high90.7Very high45 Ų4535.6 Ų35.617%0.1718%0.183CC..Hα-helixtrans-96.7-21.7176.4-64.1-164.563.979.77.8114.4R20 V21 F29 L32 Y163 I164 F207R20-R23 PolarHBondContact O-N 3.43Å; V21-R23 PolarHBondContact O-N 2.82Å; V21-R23 VanDerWaalsContact O-N 3.1Å; R23-F29 HydrophobicContact CB-CD2 4.5Å; R23-L32 HydrophobicContact CG-CD2 3.61Å; R23-Y163 HydrophobicContact CG-CD2 4.49Å; R23-Y163 HydrophobicContact CG-CE2 3.62Å; R23-Y163 PolarHBondContact NH1-O 2.57Å; R23-I164 PolarHBondContact NH1-O 3.16Å; R23-I164 VanDerWaalsContact NH1-O 3.15Å; R23-F207 HydrophobicContact CG-CZ 4.46Å
24Q91.9Very high89.2Confident108 Ų10837.5 Ų37.551%0.50519%0.192SC..Hα-helixtrans-88.2-39.3-177-73172.76.800112.3R20 V21R20-Q24 VanDerWaalsContact O-CG 3.28Å; R20-Q24 WeakPolarHBondContact O-CG 3.36Å; R20-Q24 PolarHBondContact O-N 3.1Å; V21-Q24 PolarHBondContact O-N 3.25Å; V21-Q24 VanDerWaalsContact O-N 3.09Å
25E92.8Very high87.2Confident79 Ų7944.4 Ų44.437%0.36923%0.225SC..SBendtrans-82.6120.4-177.6-68.3-61.8156.700110.5V21 P27 L28 F29 L120V21-E25 HydrophobicContact CG1-CG 3.9Å; V21-E25 PolarHBondContact O-N 2.73Å; E25-P27 VanDerWaalsContact C-CD 3.48Å; E25-L28 HydrophobicContact CB-CB 4.3Å; E25-L28 HydrophobicContact CB-CD1 4.11Å; E25-L28 HydrophobicContact CB-CG 4.13Å; E25-L28 PolarHBondContact O-N 2.84Å; E25-F29 WeakPolarHBondContact O-CB 3.22Å; E25-F29 PolarHBondContact O-N 2.91Å; E25-L120 HydrophobicContact CB-CD1 4.13Å; E25-L120 HydrophobicContact CG-CD1 4.36Å; E25-L120 HydrophobicContact CG-CD2 4.3Å
26A89.4Confident84.8Confident59 Ų5947.5 Ų47.549%0.48824%0.238SC..Hα-helixtrans-54-42.2-174.900000114.2L28 F29 Q30A26-L28 PolarHBondContact O-N 3.44Å; A26-F29 PolarHBondContact O-N 2.94Å; A26-Q30 WeakPolarHBondContact O-CB 3.37Å; A26-Q30 VanDerWaalsContact O-CG 3.24Å; A26-Q30 WeakPolarHBondContact O-CG 3.17Å; A26-Q30 PolarHBondContact O-N 3.24Å
27P87.8Confident82.2Confident41 Ų4153.8 Ų53.827%0.26628%0.277SS..Hα-helixtrans-62-41.1176.8-23.635.4000113.1E25 L31 T116 L120E25-P27 VanDerWaalsContact C-CD 3.48Å; P27-L31 WeakPolarHBondContact O-CG 3.42Å; P27-L31 PolarHBondContact O-N 3.49Å; P27-T116 HydrophobicContact CB-CG2 4.3Å; P27-T116 HydrophobicContact CG-CG2 3.99Å; P27-L120 HydrophobicContact CB-CD1 4.24Å; P27-L120 HydrophobicContact CG-CD1 4.01Å
28L89.4Confident80.1Confident0 Ų054.2 Ų54.20%029%0.291CS..Hα-helixtrans-74.1-40.4179.8-58.7-176.8000111.7V21 C22 E25 A26 Q30 L31 L32 F49 A117 L120 L121V21-L28 HydrophobicContact CG1-CD1 3.75Å; C22-L28 CarbonylContact O-C 3.39Å; E25-L28 HydrophobicContact CB-CB 4.3Å; E25-L28 HydrophobicContact CB-CD1 4.11Å; E25-L28 HydrophobicContact CB-CG 4.13Å; E25-L28 PolarHBondContact O-N 2.84Å; A26-L28 PolarHBondContact O-N 3.44Å; L28-Q30 VanDerWaalsContact C-N 3.3Å; L28-Q30 PolarHBondContact O-N 2.97Å; L28-L31 PolarHBondContact O-N 2.64Å; L28-L31 VanDerWaalsContact O-N 3.17Å; L28-L32 PolarHBondContact O-N 3.25Å; L28-F49 HydrophobicContact CD2-CZ 4.32Å; L28-A117 HydrophobicContact CD2-CB 3.7Å; L28-L120 HydrophobicContact CD1-CB 3.92Å; L28-L120 HydrophobicContact CD2-CB 4.39Å; L28-L120 HydrophobicContact CG-CB 4.23Å; L28-L120 HydrophobicContact CG-CD1 4.34Å; L28-L121 HydrophobicContact CD1-CD2 3.98Å; L28-L121 HydrophobicContact CD1-CG 4.04Å; L28-L121 HydrophobicContact CD2-CD1 4.01Å; L28-L121 HydrophobicContact CD2-CD2 4.31Å; L28-L121 HydrophobicContact CD2-CG 3.69Å
29F87.1Confident77.5Confident70 Ų7061.2 Ų61.231%0.30733%0.333SS..Hα-helixtrans-62.2-41.9178.6-179.1-113.2000111.1C22 R23 E25 A26 L31 L32 V33C22-F29 VanDerWaalsContact O-CA 3.25Å; C22-F29 WeakPolarHBondContact O-CA 3.35Å; C22-F29 PolarHBondContact O-N 3.07Å; C22-F29 VanDerWaalsContact O-N 3.12Å; R23-F29 HydrophobicContact CB-CD2 4.5Å; E25-F29 WeakPolarHBondContact O-CB 3.22Å; E25-F29 PolarHBondContact O-N 2.91Å; A26-F29 PolarHBondContact O-N 2.94Å; F29-L31 VanDerWaalsContact C-N 3.27Å; F29-L31 PolarHBondContact O-N 3.01Å; F29-L32 WeakPolarHBondContact O-CB 3.49Å; F29-L32 PolarHBondContact O-N 3.43Å; F29-L32 VanDerWaalsContact O-N 3.11Å; F29-V33 HydrophobicContact CD1-CG2 4.21Å; F29-V33 HydrophobicContact CD2-CG1 4.02Å; F29-V33 HydrophobicContact CE1-CG1 4.43Å; F29-V33 HydrophobicContact CE1-CG2 3.81Å; F29-V33 HydrophobicContact CE2-CB 4.41Å; F29-V33 HydrophobicContact CE2-CG1 3.34Å; F29-V33 HydrophobicContact CE2-CG2 4.19Å; F29-V33 HydrophobicContact CZ-CB 4.33Å; F29-V33 HydrophobicContact CZ-CG1 3.6Å; F29-V33 HydrophobicContact CZ-CG2 3.81Å; F29-V33 WeakPolarHBondContact O-CG2 3.31Å; F29-V33 PolarHBondContact O-N 3Å
30Q85.1Confident75.2Confident135 Ų13564.1 Ų64.163%0.63135%0.348SS*.Hα-helixtrans-59-38.4176.1-77.4175.812.500112.5A26 L28 Q34A26-Q30 WeakPolarHBondContact O-CB 3.37Å; A26-Q30 VanDerWaalsContact O-CG 3.24Å; A26-Q30 WeakPolarHBondContact O-CG 3.17Å; A26-Q30 PolarHBondContact O-N 3.24Å; L28-Q30 VanDerWaalsContact C-N 3.3Å; L28-Q30 PolarHBondContact O-N 2.97Å; Q30-Q34 VanDerWaalsContact O-CB 3.3Å; Q30-Q34 WeakPolarHBondContact O-CB 3.29Å; Q30-Q34 PolarHBondContact O-N 3.3Å
31L82.9Confident72.9Confident27 Ų2770.6 Ų70.614%0.14138%0.377CS..Hα-helixtrans-71-36.5175.2-64.4169.8000111.9P27 L28 F29 F49 L111 A117P27-L31 WeakPolarHBondContact O-CG 3.42Å; P27-L31 PolarHBondContact O-N 3.49Å; L28-L31 PolarHBondContact O-N 2.64Å; L28-L31 VanDerWaalsContact O-N 3.17Å; F29-L31 VanDerWaalsContact C-N 3.27Å; F29-L31 PolarHBondContact O-N 3.01Å; L31-F49 VanDerWaalsContact C-CD1 3.46Å; L31-F49 HydrophobicContact CB-CB 4.36Å; L31-F49 HydrophobicContact CB-CD1 3.68Å; L31-F49 HydrophobicContact CB-CD2 3.53Å; L31-F49 HydrophobicContact CB-CE1 3.75Å; L31-F49 HydrophobicContact CB-CE2 3.6Å; L31-F49 HydrophobicContact CB-CG 3.57Å; L31-F49 HydrophobicContact CB-CZ 3.7Å; L31-F49 HydrophobicContact CD1-CD2 3.84Å; L31-F49 HydrophobicContact CD1-CE2 3.47Å; L31-F49 VanDerWaalsContact CD1-CE2 3.47Å; L31-F49 HydrophobicContact CD1-CZ 4.09Å; L31-F49 HydrophobicContact CG-CD2 4.22Å; L31-F49 HydrophobicContact CG-CE2 4.16Å; L31-L111 HydrophobicContact CD1-CD2 4.17Å; L31-A117 HydrophobicContact CD1-CB 3.62Å
32L80.2Confident70.4Confident1 Ų177.1 Ų77.11%0.00541%0.411CS..Hα-helixtrans-66.3-45179.2-176.866.8000113.6R23 L28 F29 F49 Y163 I164R23-L32 HydrophobicContact CG-CD2 3.61Å; L28-L32 PolarHBondContact O-N 3.25Å; F29-L32 WeakPolarHBondContact O-CB 3.49Å; F29-L32 PolarHBondContact O-N 3.43Å; F29-L32 VanDerWaalsContact O-N 3.11Å; L32-F49 HydrophobicContact CB-CD1 4.21Å; L32-F49 HydrophobicContact CB-CE1 3.98Å; L32-F49 HydrophobicContact CD1-CD1 4.49Å; L32-Y163 HydrophobicContact CD1-CD1 4.25Å; L32-Y163 HydrophobicContact CD1-CE1 3.59Å; L32-Y163 HydrophobicContact CD2-CE1 3.81Å; L32-Y163 HydrophobicContact CG-CE1 4.35Å; L32-I164 HydrophobicContact CD1-CG1 4.32Å
33V71.8Confident68.2Low55 Ų5582.8 Ų82.833%0.33344%0.436SS..SBendtrans-99.56.6-175.2-57.70000113.7F29 E35F29-V33 HydrophobicContact CD1-CG2 4.21Å; F29-V33 HydrophobicContact CD2-CG1 4.02Å; F29-V33 HydrophobicContact CE1-CG1 4.43Å; F29-V33 HydrophobicContact CE1-CG2 3.81Å; F29-V33 HydrophobicContact CE2-CB 4.41Å; F29-V33 HydrophobicContact CE2-CG1 3.34Å; F29-V33 HydrophobicContact CE2-CG2 4.19Å; F29-V33 HydrophobicContact CZ-CB 4.33Å; F29-V33 HydrophobicContact CZ-CG1 3.6Å; F29-V33 HydrophobicContact CZ-CG2 3.81Å; F29-V33 WeakPolarHBondContact O-CG2 3.31Å; F29-V33 PolarHBondContact O-N 3Å; V33-E35 PolarHBondContact O-N 3.3Å
34Q63.8Low66.2Low77 Ų7785.8 Ų85.836%0.3645%0.45SS..  trans-63112.8177.2-143.3171.816.100109Q30 K36 V46Q30-Q34 VanDerWaalsContact O-CB 3.3Å; Q30-Q34 WeakPolarHBondContact O-CB 3.29Å; Q30-Q34 PolarHBondContact O-N 3.3Å; Q34-K36 HydrophobicContact CG-CG 4.19Å; Q34-V46 HydrophobicContact CB-CG1 4.16Å; Q34-V46 WeakPolarHBondContact O-CG1 3.33Å
35E53.6Low64.2Low156 Ų15682.5 Ų82.573%0.72943%0.434SS*.  trans-112.1105.9160.6-74.9-168.3167.500107V33 T37V33-E35 PolarHBondContact O-N 3.3Å; E35-T37 PolarHBondContact O-N 3.24Å
36K47.4Very low61.9Low65 Ų6580.1 Ų80.128%0.28343%0.425SS..  trans-78.7127.7178.4-72.2-161.9176.2-173.20110.8Q34 D40 V46Q34-K36 HydrophobicContact CG-CG 4.19Å; K36-D40 HydrophobicContact CB-CB 4.23Å; K36-D40 HydrophobicContact CD-CB 3.52Å; K36-D40 IonicContact NZ-OD2 2.63Å; K36-D40 PolarHBondContact NZ-OD2 3.11Å; K36-V46 HydrophobicContact CD-CG2 4.49Å; K36-V46 HydrophobicContact CG-CG2 4.37Å
37T39.9Very low60.1Low132 Ų13284.6 Ų84.681%0.8144%0.436SS*.  trans-95.8144.1168.152.30000110E35E35-T37 PolarHBondContact O-N 3.24Å
38G51.1Low58.7Low50 Ų5084.4 Ų84.452%0.51543%0.433SS..SBendtrans90.8-150.9175.400000116.3D40 K41G38-D40 PolarHBondContact O-N 3.08Å; G38-D40 VanDerWaalsContact O-N 3.12Å; G38-K41 WeakPolarHBondContact O-CB 3.33Å; G38-K41 WeakPolarHBondContact O-CG 3.31Å; G38-K41 PolarHBondContact O-N 2.95Å
39V43.1Very low57.4Low147 Ų14784.7 Ų84.789%0.89143%0.434SS*.G310 helixtrans-62-19.7-168.8-166.80000113.6K41V39-K41 VanDerWaalsContact C-N 3.32Å; V39-K41 PolarHBondContact O-N 3Å
40D45.8Very low56.6Low61 Ų6184 Ų8433%0.32643%0.431SS..G310 helixtrans-81.6-1.1176.4-92.9-17.8000114.3K36 G38 N42 K43K36-D40 HydrophobicContact CB-CB 4.23Å; K36-D40 HydrophobicContact CD-CB 3.52Å; K36-D40 IonicContact NZ-OD2 2.63Å; K36-D40 PolarHBondContact NZ-OD2 3.11Å; G38-D40 PolarHBondContact O-N 3.08Å; G38-D40 VanDerWaalsContact O-N 3.12Å; D40-N42 PolarHBondContact O-N 3.22Å; D40-K43 PolarHBondContact O-N 2.95Å; D40-K43 WeakPolarHBondContact OD1-CE 3.37Å; D40-K43 IonicContact OD1-NZ 3.67Å; D40-K43 PolarHBondContact OD1-NZ 3.25Å
41K46.5Very low56Low155 Ų15579.8 Ų79.867%0.67441%0.414SS*.G310 helixtrans-57.1-19.8176.8-88.6-173.7172.9-172.40114.5G38 V39G38-K41 WeakPolarHBondContact O-CB 3.33Å; G38-K41 WeakPolarHBondContact O-CG 3.31Å; G38-K41 PolarHBondContact O-N 2.95Å; V39-K41 VanDerWaalsContact C-N 3.32Å; V39-K41 PolarHBondContact O-N 3Å
42N42.9Very low56.2Low156 Ų15678.6 Ų78.683%0.83441%0.408SS*.G310 helixtrans-903.9-177.4-72.3-12.8000114.3D40 K44D40-N42 PolarHBondContact O-N 3.22Å; N42-K44 PolarHBondContact O-N 3.03Å
43K46.9Very low56.6Low119 Ų11978.6 Ų78.652%0.51741%0.408SS..  trans-86.1110.8174.7-70.7179.8176156.90109.3D40 F45D40-K43 PolarHBondContact O-N 2.95Å; D40-K43 WeakPolarHBondContact OD1-CE 3.37Å; D40-K43 IonicContact OD1-NZ 3.67Å; D40-K43 PolarHBondContact OD1-NZ 3.25Å; K43-F45 PolarHBondContact O-N 3.3Å
44K51Low57.6Low109 Ų10976.1 Ų76.147%0.47439%0.393SS..THydrogen-bonded Turntrans-44.6-35.7175.8-84.1179.9172.5175.20113.1N42 V46 Q47 D48 E85N42-K44 PolarHBondContact O-N 3.03Å; K44-V46 VanDerWaalsContact C-N 3.32Å; K44-V46 PolarHBondContact O-N 3.42Å; K44-Q47 WeakPolarHBondContact O-CB 3.37Å; K44-Q47 PolarHBondContact O-N 2.87Å; K44-D48 VanDerWaalsContact O-CG 3.28Å; K44-D48 PolarHBondContact O-N 3.1Å; K44-D48 VanDerWaalsContact O-OD2 3.12Å; K44-E85 IonicContact NZ-OE1 2.65Å; K44-E85 PolarHBondContact NZ-OE1 2.87Å; K44-E85 IonicContact NZ-OE2 3.51Å; K44-E85 PolarHBondContact NZ-OE2 3.19Å
45F49.7Very low59Low38 Ų3872.4 Ų72.417%0.16738%0.376CS..Hα-helixtrans-52.1-30.6-169.9-144.8-100.7000118.8K43 D48 F49 V110 L111 D112K43-F45 PolarHBondContact O-N 3.3Å; F45-D48 WeakPolarHBondContact CA-OD2 3.42Å; F45-D48 PolarHBondContact N-OD2 3.23Å; F45-D48 WeakPolarHBondContact O-CB 3.25Å; F45-D48 PolarHBondContact O-N 2.99Å; F45-F49 PolarHBondContact O-N 2.91Å; F45-V110 WeakPolarHBondContact CE2-O 3.43Å; F45-V110 WeakPolarHBondContact CZ-O 3.32Å; F45-L111 VanDerWaalsContact CZ-C 3.48Å; F45-D112 WeakPolarHBondContact CD2-OD2 3.28Å; F45-D112 HydrophobicContact CE1-CB 4.4Å; F45-D112 HydrophobicContact CE2-CB 4.09Å; F45-D112 VanDerWaalsContact CE2-OD1 3.3Å; F45-D112 WeakPolarHBondContact CE2-OD1 3.43Å; F45-D112 VanDerWaalsContact CE2-OD2 3.31Å; F45-D112 WeakPolarHBondContact CE2-OD2 3.36Å; F45-D112 HydrophobicContact CZ-CB 3.73Å
46V45.6Very low60.9Low29 Ų2965.1 Ų65.118%0.17634%0.342CS..Hα-helixtrans-83-30.2-177.7174.80000111.7Q34 K36 K44Q34-V46 HydrophobicContact CB-CG1 4.16Å; Q34-V46 WeakPolarHBondContact O-CG1 3.33Å; K36-V46 HydrophobicContact CD-CG2 4.49Å; K36-V46 HydrophobicContact CG-CG2 4.37Å; K44-V46 VanDerWaalsContact C-N 3.32Å; K44-V46 PolarHBondContact O-N 3.42Å
47Q50.2Low63.3Low153 Ų15362 Ų6272%0.71533%0.329SS*.Hα-helixtrans-64.9-36.9162.8-93.8176.7-38.400109.9K44 F49 T51K44-Q47 WeakPolarHBondContact O-CB 3.37Å; K44-Q47 PolarHBondContact O-N 2.87Å; Q47-F49 PolarHBondContact O-N 3.02Å; Q47-T51 PolarHBondContact O-OG1 3.39Å
48D58.5Low66Low38 Ų3856.4 Ų56.420%0.20329%0.293CS..Hα-helixtrans-69.2-27.1-174.4-58.1-34.1000114.4K44 F45 T51 L52 F84K44-D48 VanDerWaalsContact O-CG 3.28Å; K44-D48 PolarHBondContact O-N 3.1Å; K44-D48 VanDerWaalsContact O-OD2 3.12Å; F45-D48 WeakPolarHBondContact CA-OD2 3.42Å; F45-D48 PolarHBondContact N-OD2 3.23Å; F45-D48 WeakPolarHBondContact O-CB 3.25Å; F45-D48 PolarHBondContact O-N 2.99Å; D48-T51 CarbonylContact O-C 3.52Å; D48-L52 VanDerWaalsContact O-CB 3.3Å; D48-L52 WeakPolarHBondContact O-CB 3.42Å; D48-L52 PolarHBondContact O-N 3.35Å; D48-F84 HydrophobicContact CB-CD1 4.29Å; D48-F84 HydrophobicContact CB-CE1 4.31Å
49F63.3Low68.2Low5 Ų554.7 Ų54.72%0.02227%0.272CS..Hα-helixtrans-75.7-34.5-179.8-168.1-89.5000113.9L28 L31 L32 F45 Q47 T51 L52 A53 L111 L121L28-F49 HydrophobicContact CD2-CZ 4.32Å; L31-F49 VanDerWaalsContact C-CD1 3.46Å; L31-F49 HydrophobicContact CB-CB 4.36Å; L31-F49 HydrophobicContact CB-CD1 3.68Å; L31-F49 HydrophobicContact CB-CD2 3.53Å; L31-F49 HydrophobicContact CB-CE1 3.75Å; L31-F49 HydrophobicContact CB-CE2 3.6Å; L31-F49 HydrophobicContact CB-CG 3.57Å; L31-F49 HydrophobicContact CB-CZ 3.7Å; L31-F49 HydrophobicContact CD1-CD2 3.84Å; L31-F49 HydrophobicContact CD1-CE2 3.47Å; L31-F49 VanDerWaalsContact CD1-CE2 3.47Å; L31-F49 HydrophobicContact CD1-CZ 4.09Å; L31-F49 HydrophobicContact CG-CD2 4.22Å; L31-F49 HydrophobicContact CG-CE2 4.16Å; L32-F49 HydrophobicContact CB-CD1 4.21Å; L32-F49 HydrophobicContact CB-CE1 3.98Å; L32-F49 HydrophobicContact CD1-CD1 4.49Å; F45-F49 PolarHBondContact O-N 2.91Å; Q47-F49 PolarHBondContact O-N 3.02Å; F49-T51 VanDerWaalsContact C-N 3.29Å; F49-L52 HydrophobicContact CD2-CB 4.46Å; F49-L52 HydrophobicContact CD2-CD2 3.94Å; F49-L52 HydrophobicContact CE2-CD2 4.1Å; F49-L52 WeakPolarHBondContact O-CB 3.23Å; F49-L52 PolarHBondContact O-N 2.96Å; F49-L52 VanDerWaalsContact O-N 3.11Å; F49-A53 PolarHBondContact O-N 3.33Å; F49-A53 VanDerWaalsContact O-N 3.17Å; F49-L111 HydrophobicContact CD2-CD2 3.76Å; F49-L111 HydrophobicContact CE2-CD2 3.88Å; F49-L121 HydrophobicContact CE2-CD1 4.16Å; F49-L121 HydrophobicContact CZ-CD1 4.37Å
50K68.4Low70.8Confident57 Ų5747.7 Ų47.725%0.24823%0.229CC..Hα-helixtrans-55.9-53.3172.3-67.9171.3173.9-171.20108.3L52 A53 I164K50-L52 VanDerWaalsContact C-N 3.29Å; K50-L52 PolarHBondContact O-N 2.99Å; K50-A53 PolarHBondContact O-N 2.99Å; K50-I164 HydrophobicContact CB-CD1 4.21Å; K50-I164 HydrophobicContact CD-CD1 3.4Å; K50-I164 VanDerWaalsContact CD-CD1 3.4Å; K50-I164 HydrophobicContact CD-CG1 4.25Å; K50-I164 HydrophobicContact CG-CD1 3.65Å; K50-I164 HydrophobicContact CG-CG1 4.12Å
51T73.6Confident73.3Confident45 Ų4544.8 Ų44.828%0.27621%0.214SC..Hα-helixtrans-60.1-32.6173.2-50.70000113.3Q47 D48 F49 D54 V55 E80 F84Q47-T51 PolarHBondContact O-OG1 3.39Å; D48-T51 CarbonylContact O-C 3.52Å; F49-T51 VanDerWaalsContact C-N 3.29Å; T51-D54 PolarHBondContact O-N 3.14Å; T51-V55 HydrophobicContact CG2-CG2 4.15Å; T51-V55 WeakPolarHBondContact O-CB 3.43Å; T51-V55 VanDerWaalsContact O-CG2 3.26Å; T51-V55 WeakPolarHBondContact O-CG2 3.26Å; T51-V55 PolarHBondContact O-N 3.39Å; T51-E80 WeakPolarHBondContact CG2-OE2 3.31Å; T51-F84 HydrophobicContact CG2-CE1 4.13Å; T51-F84 HydrophobicContact CG2-CZ 4.06Å
52L86.2Confident75.7Confident3 Ų340.4 Ų40.42%0.01619%0.193CC..Hα-helixtrans-66.5-43.5-179.5-175.764.2000111.9D48 F49 K50 D54 V55 V56 F84 V94 L107 V110 L111 L121D48-L52 VanDerWaalsContact O-CB 3.3Å; D48-L52 WeakPolarHBondContact O-CB 3.42Å; D48-L52 PolarHBondContact O-N 3.35Å; F49-L52 HydrophobicContact CD2-CB 4.46Å; F49-L52 HydrophobicContact CD2-CD2 3.94Å; F49-L52 HydrophobicContact CE2-CD2 4.1Å; F49-L52 WeakPolarHBondContact O-CB 3.23Å; F49-L52 PolarHBondContact O-N 2.96Å; F49-L52 VanDerWaalsContact O-N 3.11Å; K50-L52 VanDerWaalsContact C-N 3.29Å; K50-L52 PolarHBondContact O-N 2.99Å; L52-D54 VanDerWaalsContact C-N 3.3Å; L52-D54 PolarHBondContact O-N 3.26Å; L52-V55 PolarHBondContact O-N 3.12Å; L52-V56 HydrophobicContact CD1-CG1 3.9Å; L52-V56 HydrophobicContact CG-CG1 4.22Å; L52-V56 WeakPolarHBondContact O-CG1 3.12Å; L52-V56 VanDerWaalsContact O-CG2 3.32Å; L52-V56 WeakPolarHBondContact O-CG2 3.09Å; L52-V56 PolarHBondContact O-N 2.65Å; L52-F84 HydrophobicContact CB-CE1 4.43Å; L52-F84 HydrophobicContact CB-CZ 4.3Å; L52-F84 HydrophobicContact CD1-CE1 4.47Å; L52-F84 HydrophobicContact CD1-CE2 4.18Å; L52-F84 HydrophobicContact CD1-CZ 3.97Å; L52-V94 HydrophobicContact CD1-CG2 4.23Å; L52-L107 HydrophobicContact CD1-CD2 4.31Å; L52-V110 HydrophobicContact CD1-CG1 3.96Å; L52-V110 HydrophobicContact CD2-CG1 4.44Å; L52-L111 HydrophobicContact CD2-CD1 4.29Å; L52-L111 HydrophobicContact CD2-CD2 3.5Å; L52-L111 VanDerWaalsContact CD2-CD2 3.5Å; L52-L111 HydrophobicContact CD2-CG 3.91Å; L52-L121 HydrophobicContact CD2-CD1 4.38Å
53A89.7Confident78.3Confident1 Ų136.4 Ų36.41%0.00817%0.169CC..Hα-helixtrans-60.3-44.3177.300000111F49 K50 V56 I57 I157F49-A53 PolarHBondContact O-N 3.33Å; F49-A53 VanDerWaalsContact O-N 3.17Å; K50-A53 PolarHBondContact O-N 2.99Å; A53-V56 WeakPolarHBondContact O-CG2 3.4Å; A53-I57 WeakPolarHBondContact O-CB 3.37Å; A53-I57 VanDerWaalsContact O-CG1 3.28Å; A53-I57 WeakPolarHBondContact O-CG1 3.36Å; A53-I57 PolarHBondContact O-N 3.35Å; A53-I57 VanDerWaalsContact O-N 3.16Å; A53-I157 HydrophobicContact CB-CD1 4.47Å
54D91.9Very high80.6Confident2 Ų232.2 Ų32.21%0.01115%0.152CC..Hα-helixtrans-62.6-48.7176.4-70.6-59.8000111.7T51 L52 V56 I57 Q58 E80 P156 I157 T160T51-D54 PolarHBondContact O-N 3.14Å; L52-D54 VanDerWaalsContact C-N 3.3Å; L52-D54 PolarHBondContact O-N 3.26Å; D54-V56 PolarHBondContact O-N 2.75Å; D54-I57 PolarHBondContact O-N 3.03Å; D54-Q58 WeakPolarHBondContact O-CB 3.45Å; D54-Q58 PolarHBondContact O-N 3.13Å; D54-E80 HydrophobicContact CB-CG 3.61Å; D54-P156 HydrophobicContact CB-CB 4.25Å; D54-P156 HydrophobicContact CB-CG 3.63Å; D54-P156 VanDerWaalsContact O-CB 3.22Å; D54-P156 WeakPolarHBondContact O-CB 3.44Å; D54-P156 WeakPolarHBondContact O-CG 3.3Å; D54-I157 WeakPolarHBondContact OD1-CB 3.38Å; D54-I157 WeakPolarHBondContact OD1-CG1 3.24Å; D54-I157 PolarHBondContact OD1-N 2.93Å; D54-T160 WeakPolarHBondContact OD2-CG2 3.4Å
55V93.2Very high82.8Confident0 Ų027 Ų270%013%0.13CC..Hα-helixtrans-61.1-48177.8170.60000112T51 L52 I57 Q58 E59 E80 S81 N82 F84 V94T51-V55 HydrophobicContact CG2-CG2 4.15Å; T51-V55 WeakPolarHBondContact O-CB 3.43Å; T51-V55 VanDerWaalsContact O-CG2 3.26Å; T51-V55 WeakPolarHBondContact O-CG2 3.26Å; T51-V55 PolarHBondContact O-N 3.39Å; L52-V55 PolarHBondContact O-N 3.12Å; V55-I57 VanDerWaalsContact C-N 3.26Å; V55-I57 PolarHBondContact O-N 3.17Å; V55-Q58 PolarHBondContact O-N 3.49Å; V55-E59 HydrophobicContact CG1-CG 3.94Å; V55-E59 WeakPolarHBondContact O-CB 3.37Å; V55-E59 WeakPolarHBondContact O-CG 3.41Å; V55-E59 PolarHBondContact O-N 2.9Å; V55-E80 HydrophobicContact CG2-CB 3.68Å; V55-E80 HydrophobicContact CG2-CG 4.22Å; V55-S81 WeakPolarHBondContact CG2-O 3.39Å; V55-N82 HydrophobicContact CG1-CB 3.99Å; V55-F84 HydrophobicContact CB-CE2 3.84Å; V55-F84 HydrophobicContact CB-CZ 3.93Å; V55-F84 HydrophobicContact CG1-CE2 3.8Å; V55-F84 HydrophobicContact CG1-CZ 4.4Å; V55-F84 HydrophobicContact CG2-CE2 3.68Å; V55-F84 HydrophobicContact CG2-CZ 3.62Å; V55-V94 HydrophobicContact CG1-CB 3.95Å; V55-V94 HydrophobicContact CG1-CG1 3.88Å
56V94.9Very high85.1Confident2 Ų225.5 Ų25.51%0.01213%0.125CC..Hα-helixtrans-66.2-33.1-176.6-62.60000111.6V18 L52 A53 D54 M60 V94 L107 I125V18-V56 HydrophobicContact CG1-CG2 4.32Å; L52-V56 HydrophobicContact CD1-CG1 3.9Å; L52-V56 HydrophobicContact CG-CG1 4.22Å; L52-V56 WeakPolarHBondContact O-CG1 3.12Å; L52-V56 VanDerWaalsContact O-CG2 3.32Å; L52-V56 WeakPolarHBondContact O-CG2 3.09Å; L52-V56 PolarHBondContact O-N 2.65Å; A53-V56 WeakPolarHBondContact O-CG2 3.4Å; D54-V56 PolarHBondContact O-N 2.75Å; V56-M60 WeakPolarHBondContact O-CB 3.29Å; V56-M60 PolarHBondContact O-N 3.2Å; V56-V94 HydrophobicContact CG1-CG1 3.96Å; V56-L107 HydrophobicContact CG1-CD2 3.73Å; V56-I125 HydrophobicContact CB-CD1 3.77Å; V56-I125 HydrophobicContact CG1-CD1 4.2Å; V56-I125 HydrophobicContact CG2-CD1 4.13Å
57I96.6Very high87.5Confident1 Ų127.6 Ų27.61%0.00515%0.145CC..Hα-helixtrans-65.6-48.5173.3-74.4170.3000110.2A15 V18 A19 A53 D54 V55 E59 M60 I61 P156 I157A15-I57 HydrophobicContact CB-CG2 3.55Å; V18-I57 HydrophobicContact CB-CD1 4.33Å; V18-I57 HydrophobicContact CB-CG1 4Å; V18-I57 HydrophobicContact CG1-CD1 4.17Å; V18-I57 HydrophobicContact CG1-CG1 3.8Å; A19-I57 HydrophobicContact CB-CD1 4.32Å; A53-I57 WeakPolarHBondContact O-CB 3.37Å; A53-I57 VanDerWaalsContact O-CG1 3.28Å; A53-I57 WeakPolarHBondContact O-CG1 3.36Å; A53-I57 PolarHBondContact O-N 3.35Å; A53-I57 VanDerWaalsContact O-N 3.16Å; D54-I57 PolarHBondContact O-N 3.03Å; V55-I57 VanDerWaalsContact C-N 3.26Å; V55-I57 PolarHBondContact O-N 3.17Å; I57-E59 PolarHBondContact O-N 3.14Å; I57-M60 PolarHBondContact O-N 2.96Å; I57-I61 HydrophobicContact CG2-CD1 3.96Å; I57-I61 WeakPolarHBondContact O-CG1 3.5Å; I57-I61 PolarHBondContact O-N 2.75Å; I57-P156 HydrophobicContact CB-CB 3.9Å; I57-P156 HydrophobicContact CG2-CB 3.61Å; I57-I157 HydrophobicContact CD1-CD1 3.83Å; I57-I157 HydrophobicContact CD1-CG1 3.84Å
58Q97.6Very high89.7Confident13 Ų1325.1 Ų25.16%0.06113%0.134CC..Hα-helixtrans-60.7-47.1179-174176.2-72.100111.7D54 V55 M60 I61 R62 G78 E80 I154 P156D54-Q58 WeakPolarHBondContact O-CB 3.45Å; D54-Q58 PolarHBondContact O-N 3.13Å; V55-Q58 PolarHBondContact O-N 3.49Å; Q58-M60 VanDerWaalsContact C-N 3.34Å; Q58-M60 PolarHBondContact O-N 3.1Å; Q58-I61 PolarHBondContact O-N 2.77Å; Q58-R62 WeakPolarHBondContact O-CB 3.49Å; Q58-R62 PolarHBondContact O-N 3.38Å; Q58-G78 VanDerWaalsContact OE1-C 3.31Å; Q58-G78 VanDerWaalsContact OE1-CA 3.28Å; Q58-E80 PolarHBondContact NE2-O 2.84Å; Q58-I154 HydrophobicContact CB-CG2 4.47Å; Q58-I154 HydrophobicContact CG-CB 4.29Å; Q58-I154 HydrophobicContact CG-CD1 4.14Å; Q58-I154 HydrophobicContact CG-CG2 4.19Å; Q58-P156 HydrophobicContact CB-CB 4.39Å
59E97.1Very high91.5Very high15 Ų1524.7 Ų24.77%0.0713%0.13CC..Hα-helixtrans-68.5-32.8179.5-70.5-62.2108.200112.3V55 I57 R62 H63 N82 V96V55-E59 HydrophobicContact CG1-CG 3.94Å; V55-E59 WeakPolarHBondContact O-CB 3.37Å; V55-E59 WeakPolarHBondContact O-CG 3.41Å; V55-E59 PolarHBondContact O-N 2.9Å; I57-E59 PolarHBondContact O-N 3.14Å; E59-R62 PolarHBondContact O-N 3.43Å; E59-H63 WeakPolarHBondContact O-CB 3.36Å; E59-H63 PolarHBondContact O-N 2.85Å; E59-N82 HydrophobicContact CG-CB 3.82Å; E59-N82 PolarHBondContact OE2-ND2 3.19Å; E59-N82 VanDerWaalsContact OE2-ND2 3.14Å; E59-V96 HydrophobicContact CB-CG2 4.45Å
60M97.6Very high93.1Very high0 Ų028.6 Ų28.60%016%0.156CC..Hα-helixtrans-65-45172.1177.1-150.369.500111.5K14 A15 V18 V56 I57 Q58 H63 D64 V96 I125K14-M60 HydrophobicContact CB-CE 4.05Å; K14-M60 HydrophobicContact CB-SD 4.04Å; K14-M60 HydrophobicContact CD-CE 4.34Å; K14-M60 HydrophobicContact CD-CG 4.25Å; K14-M60 HydrophobicContact CD-SD 3.58Å; K14-M60 VanDerWaalsContact CD-SD 3.58Å; K14-M60 HydrophobicContact CG-CE 4.21Å; K14-M60 HydrophobicContact CG-SD 3.52Å; K14-M60 VanDerWaalsContact CG-SD 3.52Å; A15-M60 HydrophobicContact CB-CE 3.88Å; V18-M60 HydrophobicContact CG2-SD 4.25Å; V56-M60 WeakPolarHBondContact O-CB 3.29Å; V56-M60 PolarHBondContact O-N 3.2Å; I57-M60 PolarHBondContact O-N 2.96Å; Q58-M60 VanDerWaalsContact C-N 3.34Å; Q58-M60 PolarHBondContact O-N 3.1Å; M60-H63 PolarHBondContact O-N 3.43Å; M60-D64 WeakPolarHBondContact O-CB 3.4Å; M60-D64 PolarHBondContact O-N 3.35Å; M60-V96 HydrophobicContact CB-CG2 4.05Å; M60-I125 HydrophobicContact CB-CG2 4.2Å; M60-I125 HydrophobicContact CG-CG2 4.08Å
61I97.7Very high94.4Very high0 Ų031.7 Ų31.70%017%0.171CC..Hα-helixtrans-61.8-47.1175-66.4164000109.8V11 A15 I57 Q58 H63 D64 V65 I154 V186 I188V11-I61 HydrophobicContact CB-CG1 4.23Å; V11-I61 HydrophobicContact CG2-CG1 4.21Å; V11-I61 HydrophobicContact CG2-CG2 4.04Å; A15-I61 HydrophobicContact CB-CD1 4.23Å; I57-I61 HydrophobicContact CG2-CD1 3.96Å; I57-I61 WeakPolarHBondContact O-CG1 3.5Å; I57-I61 PolarHBondContact O-N 2.75Å; Q58-I61 PolarHBondContact O-N 2.77Å; I61-H63 PolarHBondContact O-N 3.36Å; I61-D64 PolarHBondContact O-N 3.49Å; I61-V65 HydrophobicContact CG2-CG2 4.21Å; I61-V65 WeakPolarHBondContact O-CB 3.17Å; I61-V65 VanDerWaalsContact O-CG2 3.25Å; I61-V65 WeakPolarHBondContact O-CG2 3.24Å; I61-V65 PolarHBondContact O-N 2.95Å; I61-I154 HydrophobicContact CB-CD1 3.91Å; I61-I154 HydrophobicContact CD1-CG2 3.82Å; I61-I154 HydrophobicContact CG2-CD1 3.5Å; I61-I154 HydrophobicContact CG2-CG1 4.18Å; I61-V186 HydrophobicContact CD1-CG1 4.35Å; I61-I188 HydrophobicContact CD1-CD1 3.89Å; I61-I188 HydrophobicContact CD1-CG1 4.28Å; I61-I188 HydrophobicContact CG1-CD1 4.36Å; I61-I188 HydrophobicContact CG2-CD1 4.16Å
62R97.6Very high95.5Very high62 Ų6229.6 Ų29.623%0.23416%0.158CC..Hα-helixtrans-57.9-45.3177.7-177.1-179.117379.211.1112Q58 E59 G66 I73 I76Q58-R62 WeakPolarHBondContact O-CB 3.49Å; Q58-R62 PolarHBondContact O-N 3.38Å; E59-R62 PolarHBondContact O-N 3.43Å; R62-G66 PolarHBondContact O-N 3.04Å; R62-I73 PolarHBondContact NH1-O 2.84Å; R62-I73 PolarHBondContact NH2-O 3.07Å; R62-I76 HydrophobicContact CB-CG2 4.13Å; R62-I76 HydrophobicContact CG-CB 4.32Å; R62-I76 HydrophobicContact CG-CD1 4.31Å; R62-I76 HydrophobicContact CG-CG2 4.19Å; R62-I76 PolarHBondContact NH1-O 3.28Å
63H96.8Very high95.9Very high73 Ų7332.4 Ų32.434%0.33817%0.173SC..Hα-helixtrans-62.2-53.3178.2172.7-87.1000111.8E59 M60 I61 V65 G66 A67 V96E59-H63 WeakPolarHBondContact O-CB 3.36Å; E59-H63 PolarHBondContact O-N 2.85Å; M60-H63 PolarHBondContact O-N 3.43Å; I61-H63 PolarHBondContact O-N 3.36Å; H63-V65 PolarHBondContact O-N 3.15Å; H63-G66 PolarHBondContact O-N 3.44Å; H63-A67 WeakPolarHBondContact O-CB 3.45Å; H63-A67 PolarHBondContact O-N 3.25Å; H63-V96 HydrophobicContact CB-CB 3.88Å; H63-V96 HydrophobicContact CB-CG1 4.43Å; H63-V96 HydrophobicContact CB-CG2 4.41Å; H63-V96 PolarHBondContact CD2-O 3.32Å; H63-V96 VanDerWaalsContact CD2-O 3.28Å
64D96.4Very high96.2Very high30 Ų3038.3 Ų38.316%0.1620%0.204CC..Hα-helixtrans-69.5-36.2-174.2-72.54.9000112V11 K14 M60 I61V11-D64 HydrophobicContact CG1-CB 3.58Å; K14-D64 IonicContact NZ-OD1 3.63Å; K14-D64 IonicContact NZ-OD2 2.69Å; K14-D64 PolarHBondContact NZ-OD2 2.78Å; M60-D64 WeakPolarHBondContact O-CB 3.4Å; M60-D64 PolarHBondContact O-N 3.35Å; I61-D64 PolarHBondContact O-N 3.49Å
65V97.1Very high96.4Very high0 Ų040.5 Ų40.50%021%0.214CC..Hα-helixtrans-68.1-47.8172.3176.60000110.7L4 L7 L8 V11 I61 H63 A67 Q68 F69 I76 I152L4-V65 HydrophobicContact CD1-CG1 4.34Å; L7-V65 HydrophobicContact CD2-CB 4.49Å; L7-V65 HydrophobicContact CD2-CG2 4.25Å; L7-V65 HydrophobicContact CG-CG2 4.46Å; L8-V65 HydrophobicContact CD2-CG2 3.84Å; V11-V65 HydrophobicContact CG2-CG2 4.49Å; I61-V65 HydrophobicContact CG2-CG2 4.21Å; I61-V65 WeakPolarHBondContact O-CB 3.17Å; I61-V65 VanDerWaalsContact O-CG2 3.25Å; I61-V65 WeakPolarHBondContact O-CG2 3.24Å; I61-V65 PolarHBondContact O-N 2.95Å; H63-V65 PolarHBondContact O-N 3.15Å; V65-A67 VanDerWaalsContact C-N 3.26Å; V65-A67 PolarHBondContact O-N 3.28Å; V65-Q68 PolarHBondContact O-N 2.89Å; V65-Q68 VanDerWaalsContact O-N 3.14Å; V65-F69 PolarHBondContact O-N 3.39Å; V65-I76 HydrophobicContact CB-CD1 3.84Å; V65-I76 HydrophobicContact CG1-CD1 3.69Å; V65-I152 HydrophobicContact CG1-CD1 3.97Å
66G96.9Very high96.6Very high7 Ų741 Ų417%0.07222%0.217CC..Hα-helixtrans-62-31.2179.800000113.5R62 H63 Q68 P70R62-G66 PolarHBondContact O-N 3.04Å; H63-G66 PolarHBondContact O-N 3.44Å; G66-Q68 VanDerWaalsContact C-N 3.33Å; G66-Q68 PolarHBondContact O-N 3.29Å; G66-P70 WeakPolarHBondContact O-CA 3.37Å
67A95.8Very high96.7Very high73 Ų7343.6 Ų43.660%0.60323%0.229SC*.Hα-helixtrans-65.6-32.8175.700000113.2H63 V65H63-A67 WeakPolarHBondContact O-CB 3.45Å; H63-A67 PolarHBondContact O-N 3.25Å; V65-A67 VanDerWaalsContact C-N 3.26Å; V65-A67 PolarHBondContact O-N 3.28Å
68Q96.1Very high96.6Very high101 Ų10144.3 Ų44.347%0.47224%0.236SC..Hα-helixtrans-98.6-29.7179.5-64.6-169.827.800113.4L7 V65 G66L7-Q68 HydrophobicContact CD2-CB 3.77Å; L7-Q68 HydrophobicContact CD2-CG 4.04Å; V65-Q68 PolarHBondContact O-N 2.89Å; V65-Q68 VanDerWaalsContact O-N 3.14Å; G66-Q68 VanDerWaalsContact C-N 3.33Å; G66-Q68 PolarHBondContact O-N 3.29Å
69F96.9Very high96.4Very high29 Ų2946.9 Ų46.913%0.12725%0.248CC..  trans-127.972.2-179.6-59.6-82.5000110.6M1 D3 L4 L7 V65 E71 M72 P147M1-F69 HydrophobicContact CE-CD1 4.16Å; M1-F69 HydrophobicContact CE-CE1 3.93Å; M1-F69 HydrophobicContact SD-CE1 4.26Å; D3-F69 HydrophobicContact CB-CZ 4.29Å; L4-F69 HydrophobicContact CB-CE1 4.44Å; L4-F69 HydrophobicContact CB-CE2 4.04Å; L4-F69 HydrophobicContact CB-CZ 3.88Å; L4-F69 HydrophobicContact CD1-CD2 3.85Å; L4-F69 HydrophobicContact CD1-CE2 3.85Å; L4-F69 HydrophobicContact CD1-CG 4.48Å; L4-F69 HydrophobicContact CD1-CZ 4.48Å; L7-F69 HydrophobicContact CB-CE2 4.5Å; L7-F69 HydrophobicContact CD2-CD2 3.77Å; L7-F69 HydrophobicContact CD2-CE2 3.66Å; V65-F69 PolarHBondContact O-N 3.39Å; F69-E71 PolarHBondContact O-N 3.08Å; F69-E71 VanDerWaalsContact O-N 3.15Å; F69-M72 HydrophobicContact CB-CB 4.38Å; F69-M72 HydrophobicContact CB-CG 4.11Å; F69-M72 HydrophobicContact CB-SD 3.85Å; F69-M72 HydrophobicContact CG-SD 4.23Å; F69-M72 PolarHBondContact O-N 3.32Å; F69-P147 HydrophobicContact CD1-CB 4.27Å; F69-P147 HydrophobicContact CD1-CG 3.93Å; F69-P147 HydrophobicContact CE1-CG 4.42Å
70P96.5Very high96.1Very high86 Ų8648.1 Ų48.156%0.55825%0.254SS*.G310 helixtrans-57.5-32.5-175.3-25.934.9000114G66 M72 I73G66-P70 WeakPolarHBondContact O-CA 3.37Å; P70-M72 PolarHBondContact O-N 3.46Å; P70-M72 VanDerWaalsContact O-N 3.15Å; P70-I73 VanDerWaalsContact O-CG2 3.24Å; P70-I73 WeakPolarHBondContact O-CG2 3.37Å; P70-I73 PolarHBondContact O-N 3.2Å
71E96.1Very high95.7Very high123 Ų12351.6 Ų51.658%0.57528%0.278SS*.G310 helixtrans-61.1-21.7178.3-63.7172.9-145.500113.7F69 P147 S148F69-E71 PolarHBondContact O-N 3.08Å; F69-E71 VanDerWaalsContact O-N 3.15Å; E71-P147 HydrophobicContact CB-CB 4.4Å; E71-S148 PolarHBondContact OE2-N 2.87Å
72M96.4Very high95.3Very high1 Ų153.8 Ų53.81%0.00529%0.29CS..G310 helixtrans-91.1-14.4-177.4-64-178.264.500112.9M1 L4 F69 P70 D74 H75 I76 P147 L150 I152M1-M72 HydrophobicContact CE-SD 4.36Å; L4-M72 HydrophobicContact CD1-CE 4.5Å; L4-M72 HydrophobicContact CD1-SD 4.3Å; L4-M72 HydrophobicContact CD2-CE 3.97Å; L4-M72 HydrophobicContact CD2-SD 4.11Å; F69-M72 HydrophobicContact CB-CB 4.38Å; F69-M72 HydrophobicContact CB-CG 4.11Å; F69-M72 HydrophobicContact CB-SD 3.85Å; F69-M72 HydrophobicContact CG-SD 4.23Å; F69-M72 PolarHBondContact O-N 3.32Å; P70-M72 PolarHBondContact O-N 3.46Å; P70-M72 VanDerWaalsContact O-N 3.15Å; M72-D74 VanDerWaalsContact C-N 3.3Å; M72-D74 PolarHBondContact O-N 3.16Å; M72-H75 CarbonylContact O-C 3.46Å; M72-H75 WeakPolarHBondContact O-CA 3.31Å; M72-H75 PolarHBondContact O-N 3.47Å; M72-I76 WeakPolarHBondContact O-CG1 3.23Å; M72-I76 PolarHBondContact O-N 2.95Å; M72-P147 HydrophobicContact CG-CB 3.91Å; M72-P147 WeakPolarHBondContact CG-O 3.23Å; M72-P147 HydrophobicContact SD-CB 4.04Å; M72-L150 HydrophobicContact CE-CB 3.72Å; M72-L150 HydrophobicContact CE-CD1 4.36Å; M72-L150 HydrophobicContact SD-CB 4.49Å; M72-I152 HydrophobicContact CE-CD1 3.59Å; M72-I152 HydrophobicContact CE-CG1 3.63Å
73I95Very high94.8Very high62 Ų6257.2 Ų57.232%0.31831%0.307SS..G310 helixtrans-57.6-40.4-166.3-159.8169.7000112.8R62 P70 H75 I76R62-I73 PolarHBondContact NH1-O 2.84Å; R62-I73 PolarHBondContact NH2-O 3.07Å; P70-I73 VanDerWaalsContact O-CG2 3.24Å; P70-I73 WeakPolarHBondContact O-CG2 3.37Å; P70-I73 PolarHBondContact O-N 3.2Å; I73-H75 PolarHBondContact O-N 3.14Å; I73-I76 PolarHBondContact O-N 3.21Å
74D95.8Very high94Very high125 Ų12554.5 Ų54.567%0.66829%0.294SS*.G310 helixtrans-76.2-2.6179.4-64-30.9000113.3M72M72-D74 VanDerWaalsContact C-N 3.3Å; M72-D74 PolarHBondContact O-N 3.16Å
75H97.2Very high92.9Very high47 Ų4757.2 Ų57.222%0.21831%0.306CS..G310 helixtrans-122.412.6-178.8-56.6-44000112.8M72 I73 G151 I152 R193M72-H75 CarbonylContact O-C 3.46Å; M72-H75 WeakPolarHBondContact O-CA 3.31Å; M72-H75 PolarHBondContact O-N 3.47Å; I73-H75 PolarHBondContact O-N 3.14Å; H75-G151 CarbonylContact O-C 3.48Å; H75-G151 WeakPolarHBondContact O-CA 3.4Å; H75-I152 PolarHBondContact O-N 2.77Å; H75-R193 PolarHBondContact CD2-NH1 2.96Å; H75-R193 VanDerWaalsContact CE1-CZ 3.49Å; H75-R193 PolarHBondContact CE1-NH2 2.82Å; H75-R193 PolarHBondContact NE2-NH1 2.99Å; H75-R193 PolarHBondContact NE2-NH2 3.43Å
76I97.6Very high91.5Very high10 Ų1058.1 Ų58.15%0.05131%0.31CS..EExtended strand (participates in β ladder)trans-90.2112.5166.1-57.9173.6000108.4R62 V65 M72 I73 I152 I154R62-I76 HydrophobicContact CB-CG2 4.13Å; R62-I76 HydrophobicContact CG-CB 4.32Å; R62-I76 HydrophobicContact CG-CD1 4.31Å; R62-I76 HydrophobicContact CG-CG2 4.19Å; R62-I76 PolarHBondContact NH1-O 3.28Å; V65-I76 HydrophobicContact CB-CD1 3.84Å; V65-I76 HydrophobicContact CG1-CD1 3.69Å; M72-I76 WeakPolarHBondContact O-CG1 3.23Å; M72-I76 PolarHBondContact O-N 2.95Å; I73-I76 PolarHBondContact O-N 3.21Å; I76-I152 HydrophobicContact CG1-CB 4.23Å; I76-I152 HydrophobicContact CG1-CD1 4.23Å; I76-I152 HydrophobicContact CG1-CG1 4.42Å; I76-I152 HydrophobicContact CG2-CB 4.36Å; I76-I152 HydrophobicContact CG2-CG2 4.48Å; I76-I154 HydrophobicContact CG2-CD1 3.43Å; I76-I154 VanDerWaalsContact CG2-CD1 3.43Å; I76-I154 HydrophobicContact CG2-CG1 4.31Å
77Q96.6Very high89.9Confident58 Ų5860.7 Ų60.727%0.27134%0.337SS..EExtended strand (participates in β ladder)trans-121.3162.7178.4-59.7178.353.600109.4I152 W153 I154Q77-I152 PolarHBondContact N-O 3.15Å; Q77-W153 HydrophobicContact CB-CD2 4.24Å; Q77-W153 HydrophobicContact CB-CE3 3.62Å; Q77-W153 HydrophobicContact CB-CH2 3.67Å; Q77-W153 HydrophobicContact CB-CZ2 4.28Å; Q77-W153 HydrophobicContact CB-CZ3 3.31Å; Q77-W153 HydrophobicContact CG-CH2 4.33Å; Q77-W153 HydrophobicContact CG-CZ3 4.41Å; Q77-W153 CarbonylContact O-C 3.52Å; Q77-W153 VanDerWaalsContact O-CA 3.32Å; Q77-W153 WeakPolarHBondContact O-CA 3.32Å; Q77-I154 PolarHBondContact O-N 2.82Å
78G94.8Very high88.6Confident15 Ų1564 Ų6416%0.15534%0.344CS..EExtended strand (participates in β ladder)trans-164.9-175.6176.300000111.5Q58 E80 I154Q58-G78 VanDerWaalsContact OE1-C 3.31Å; Q58-G78 VanDerWaalsContact OE1-CA 3.28Å; G78-E80 VanDerWaalsContact C-N 3.32Å; G78-I154 WeakPolarHBondContact CA-O 3.39Å
79E92Very high87.4Confident68 Ų6861.4 Ų61.432%0.31834%0.344SS..SBendtrans-61.1-40.7-179.3-178.1169.6-16100112.5I154 W307E79-I154 PolarHBondContact N-O 2.84Å; E79-W307 HydrophobicContact CB-CD2 3.96Å; E79-W307 HydrophobicContact CB-CG 4.05Å; E79-W307 HydrophobicContact CB-CZ2 4.22Å; E79-W307 HydrophobicContact CG-CZ2 4.01Å
80E91.1Very high86.5Confident40 Ų4065.4 Ų65.419%0.18736%0.363CS..  trans-96.8145.8-161.5-67.5-61.7169.200114.6T51 D54 V55 Q58 G78 P156T51-E80 WeakPolarHBondContact CG2-OE2 3.31Å; D54-E80 HydrophobicContact CB-CG 3.61Å; V55-E80 HydrophobicContact CG2-CB 3.68Å; V55-E80 HydrophobicContact CG2-CG 4.22Å; Q58-E80 PolarHBondContact NE2-O 2.84Å; G78-E80 VanDerWaalsContact C-N 3.32Å; E80-P156 HydrophobicContact CG-CG 4.1Å
81S89.2Confident85.9Confident73 Ų7364.5 Ų64.551%0.5136%0.359SS..  trans-86.6127.6166.8162.40000109.8V55 K83V55-S81 WeakPolarHBondContact CG2-O 3.39Å; S81-K83 PolarHBondContact O-N 3.21Å; S81-K83 PolarHBondContact OG-N 2.95Å
82N88.6Confident85.4Confident46 Ų4659.5 Ų59.525%0.24634%0.336CS..  trans-78.96.7177.472.8-12.9000114.7V55 E59 V94V55-N82 HydrophobicContact CG1-CB 3.99Å; E59-N82 HydrophobicContact CG-CB 3.82Å; E59-N82 PolarHBondContact OE2-ND2 3.19Å; E59-N82 VanDerWaalsContact OE2-ND2 3.14Å; N82-V94 PolarHBondContact O-N 2.91Å
83K87.7Confident85.1Confident135 Ų13564.2 Ų64.259%0.58736%0.361SS*.EExtended strand (participates in β ladder)trans-98.5120.7-179.6-172.1-178-179-177.50111.1S81 S91S81-K83 PolarHBondContact O-N 3.21Å; S81-K83 PolarHBondContact OG-N 2.95Å; K83-S91 WeakPolarHBondContact CE-OG 3.46Å; K83-S91 VanDerWaalsContact CG-OG 3.31Å; K83-S91 WeakPolarHBondContact CG-OG 3.36Å
84F80.3Confident84.9Confident15 Ų1561.3 Ų61.37%0.06635%0.346CS..EExtended strand (participates in β ladder)trans-111.4163.4174.4-71.2-95.9000111.5D48 T51 L52 V55 S91 V92 V94 V110D48-F84 HydrophobicContact CB-CD1 4.29Å; D48-F84 HydrophobicContact CB-CE1 4.31Å; T51-F84 HydrophobicContact CG2-CE1 4.13Å; T51-F84 HydrophobicContact CG2-CZ 4.06Å; L52-F84 HydrophobicContact CB-CE1 4.43Å; L52-F84 HydrophobicContact CB-CZ 4.3Å; L52-F84 HydrophobicContact CD1-CE1 4.47Å; L52-F84 HydrophobicContact CD1-CE2 4.18Å; L52-F84 HydrophobicContact CD1-CZ 3.97Å; V55-F84 HydrophobicContact CB-CE2 3.84Å; V55-F84 HydrophobicContact CB-CZ 3.93Å; V55-F84 HydrophobicContact CG1-CE2 3.8Å; V55-F84 HydrophobicContact CG1-CZ 4.4Å; V55-F84 HydrophobicContact CG2-CE2 3.68Å; V55-F84 HydrophobicContact CG2-CZ 3.62Å; F84-S91 CarbonylContact O-C 3.58Å; F84-S91 VanDerWaalsContact O-CA 3.25Å; F84-S91 WeakPolarHBondContact O-CA 3.31Å; F84-S91 PolarHBondContact O-OG 2.76Å; F84-V92 PolarHBondContact N-O 3.14Å; F84-V92 PolarHBondContact O-N 3.18Å; F84-V94 HydrophobicContact CD2-CB 4.19Å; F84-V94 HydrophobicContact CD2-CG2 3.39Å; F84-V94 HydrophobicContact CE2-CB 4.14Å; F84-V94 HydrophobicContact CE2-CG2 3.62Å; F84-V94 HydrophobicContact CG-CG2 4.36Å; F84-V110 HydrophobicContact CB-CG1 4.35Å; F84-V110 HydrophobicContact CD1-CG1 4.25Å; F84-V110 HydrophobicContact CG-CG1 4.14Å
85E73.2Confident84.8Confident88 Ų8858.1 Ų58.141%0.41133%0.331SS..EExtended strand (participates in β ladder)trans-123.2119.2168.6-171.2-171.1135.400107.6K44 E90K44-E85 IonicContact NZ-OE1 2.65Å; K44-E85 PolarHBondContact NZ-OE1 2.87Å; K44-E85 IonicContact NZ-OE2 3.51Å; K44-E85 PolarHBondContact NZ-OE2 3.19Å; E85-E90 CarbonylContact C-O 3.5Å; E85-E90 VanDerWaalsContact CA-O 3.32Å; E85-E90 WeakPolarHBondContact CA-O 3.26Å
86N68.1Low84.7Confident19 Ų1956.6 Ų56.610%0.10233%0.325CS..  trans-76.8176.4-177.770.410.8000112L88 G89 E90 V92N86-L88 PolarHBondContact O-N 3.5Å; N86-L88 WeakPolarHBondContact OD1-CA 3.07Å; N86-L88 WeakPolarHBondContact OD1-CB 3.31Å; N86-L88 PolarHBondContact OD1-N 2.77Å; N86-G89 PolarHBondContact O-N 3.32Å; N86-G89 PolarHBondContact OD1-N 2.84Å; N86-E90 PolarHBondContact N-O 3.3Å; N86-E90 PolarHBondContact ND2-OE2 3.06Å; N86-E90 WeakPolarHBondContact OD1-CB 3.36Å; N86-E90 PolarHBondContact OD1-N 3.17Å; N86-E90 PolarHBondContact OD1-O 2.81Å; N86-V92 HydrophobicContact CB-CG2 4.48Å
87G63.2Low84.6Confident61 Ų6157.6 Ų57.663%0.62933%0.333SS*.THydrogen-bonded Turntrans-60.7-10.9178.200000115.6
88L67.9Low84.4Confident143 Ų14358 Ų5875%0.74935%0.353SS*.THydrogen-bonded Turntrans-96.8-2.5176.3-57.7174000113N86 E90N86-L88 PolarHBondContact O-N 3.5Å; N86-L88 WeakPolarHBondContact OD1-CA 3.07Å; N86-L88 WeakPolarHBondContact OD1-CB 3.31Å; N86-L88 PolarHBondContact OD1-N 2.77Å; L88-E90 VanDerWaalsContact C-N 3.32Å; L88-E90 HydrophobicContact CB-CG 4.26Å
89G71.7Confident84.4Confident46 Ų4660.4 Ų60.447%0.47436%0.364SS..SBendtrans819.7-175.900000114.1N86N86-G89 PolarHBondContact O-N 3.32Å; N86-G89 PolarHBondContact OD1-N 2.84Å
90E77.6Confident84.7Confident113 Ų11360.5 Ų60.553%0.52837%0.365SS..  trans-84.3138.4177.1-56.6174.3141.800110.1E85 N86 L88E85-E90 CarbonylContact C-O 3.5Å; E85-E90 VanDerWaalsContact CA-O 3.32Å; E85-E90 WeakPolarHBondContact CA-O 3.26Å; N86-E90 PolarHBondContact N-O 3.3Å; N86-E90 PolarHBondContact ND2-OE2 3.06Å; N86-E90 WeakPolarHBondContact OD1-CB 3.36Å; N86-E90 PolarHBondContact OD1-N 3.17Å; N86-E90 PolarHBondContact OD1-O 2.81Å; L88-E90 VanDerWaalsContact C-N 3.32Å; L88-E90 HydrophobicContact CB-CG 4.26Å
91S83.5Confident85Confident67 Ų6767.1 Ų67.147%0.46939%0.393SS..EExtended strand (participates in β ladder)trans-84.5125.3176-169.10000111.2K83 F84K83-S91 WeakPolarHBondContact CE-OG 3.46Å; K83-S91 VanDerWaalsContact CG-OG 3.31Å; K83-S91 WeakPolarHBondContact CG-OG 3.36Å; F84-S91 CarbonylContact O-C 3.58Å; F84-S91 VanDerWaalsContact O-CA 3.25Å; F84-S91 WeakPolarHBondContact O-CA 3.31Å; F84-S91 PolarHBondContact O-OG 2.76Å
92V85.3Confident85.4Confident17 Ų1768.4 Ų68.410%0.10339%0.391CS..EExtended strand (participates in β ladder)trans-115.4131.5177.9-174.10000108.9F84 N86 L106 V110F84-V92 PolarHBondContact N-O 3.14Å; F84-V92 PolarHBondContact O-N 3.18Å; N86-V92 HydrophobicContact CB-CG2 4.48Å; V92-L106 HydrophobicContact CG1-CD1 3.84Å; V92-V110 HydrophobicContact CB-CG2 4.05Å; V92-V110 HydrophobicContact CG1-CG2 3.58Å
93I90.1Very high85.8Confident100 Ų10066.3 Ų66.351%0.51338%0.38SS..EExtended strand (participates in β ladder)trans-97.1114.1172.9-57.2176.4000107.4T95I93-T95 HydrophobicContact CG2-CG2 4.07Å
94V91.2Very high86.2Confident2 Ų260.3 Ų60.31%0.01236%0.355CS..  trans-76.8126176.5174.10000108.6L52 V55 V56 N82 F84 L107 V110L52-V94 HydrophobicContact CD1-CG2 4.23Å; V55-V94 HydrophobicContact CG1-CB 3.95Å; V55-V94 HydrophobicContact CG1-CG1 3.88Å; V56-V94 HydrophobicContact CG1-CG1 3.96Å; N82-V94 PolarHBondContact O-N 2.91Å; F84-V94 HydrophobicContact CD2-CB 4.19Å; F84-V94 HydrophobicContact CD2-CG2 3.39Å; F84-V94 HydrophobicContact CE2-CB 4.14Å; F84-V94 HydrophobicContact CE2-CG2 3.62Å; F84-V94 HydrophobicContact CG-CG2 4.36Å; V94-L107 HydrophobicContact CG1-CD2 4.3Å; V94-V110 HydrophobicContact CG2-CG1 4.44Å; V94-V110 HydrophobicContact CG2-CG2 3.78Å
95T93.8Very high87Confident57 Ų5762.4 Ų62.435%0.3538%0.375SS..  trans-142.9161.1175.5550000109.3I93 L106I93-T95 HydrophobicContact CG2-CG2 4.07Å; T95-L106 WeakPolarHBondContact O-CD2 3.49Å
96V95Very high88Confident16 Ų1659.9 Ų59.910%0.09736%0.364CS..  trans-87.3119.8167.8-178.40000108.8E59 M60 H63 I125E59-V96 HydrophobicContact CB-CG2 4.45Å; M60-V96 HydrophobicContact CB-CG2 4.05Å; H63-V96 HydrophobicContact CB-CB 3.88Å; H63-V96 HydrophobicContact CB-CG1 4.43Å; H63-V96 HydrophobicContact CB-CG2 4.41Å; H63-V96 PolarHBondContact CD2-O 3.32Å; H63-V96 VanDerWaalsContact CD2-O 3.28Å; V96-I125 HydrophobicContact CB-CG2 4.4Å; V96-I125 HydrophobicContact CG1-CG2 3.78Å; V96-I125 HydrophobicContact CG2-CG2 3.67Å
97C95.6Very high89.2Confident31 Ų3159 Ų5921%0.20936%0.359CS..  trans-83.9171.7179.2-53.50000111.6T99 E102 T103 H126C97-T99 PolarHBondContact O-N 3.43Å; C97-E102 HydrophobicContact CB-CB 3.48Å; C97-E102 VanDerWaalsContact CB-CB 3.48Å; C97-T103 PolarHBondContact N-OG1 3.2Å; C97-T103 VanDerWaalsContact N-OG1 3.08Å; C97-H126 PolarHBondContact O-CE1 2.79Å
98G92.4Very high90.5Very high67 Ų6756.3 Ų56.369%0.69133%0.331SS*.SBendtrans-66.1-19.1-17800000114.8
99T95.7Very high91.4Very high64 Ų6452.8 Ų52.839%0.39332%0.316SS..SBendtrans-135.3151.7178.866.70000112.8C97 K101 E102 T103C97-T99 PolarHBondContact O-N 3.43Å; T99-K101 PolarHBondContact O-N 2.93Å; T99-E102 PolarHBondContact N-OE2 3.08Å; T99-E102 PolarHBondContact O-N 3.46Å; T99-E102 VanDerWaalsContact O-N 3.12Å; T99-E102 WeakPolarHBondContact OG1-CB 3.41Å; T99-E102 WeakPolarHBondContact OG1-CG 3.21Å; T99-E102 PolarHBondContact OG1-N 2.93Å; T99-E102 PolarHBondContact OG1-OE2 3.27Å; T99-T103 PolarHBondContact O-N 2.99Å
100E96.9Very high92.1Very high71 Ų7151 Ų5133%0.33230%0.296SS..Hα-helixtrans-51.8-41.3174.7-179.3-178.1149.500111.6T103 A104 A122 R123 H126E100-T103 PolarHBondContact O-N 2.93Å; E100-A104 WeakPolarHBondContact O-CB 3.45Å; E100-A104 PolarHBondContact O-N 3.39Å; E100-A122 HydrophobicContact CG-CB 4.15Å; E100-A122 WeakPolarHBondContact O-CB 3.33Å; E100-R123 WeakPolarHBondContact OE1-CB 3.39Å; E100-R123 IonicContact OE1-NE 3.07Å; E100-H126 HydrophobicContact CB-CB 4.06Å; E100-H126 HydrophobicContact CG-CB 4.46Å; E100-H126 PolarHBondContact N-CE1 3.14Å
101K97.6Very high92.4Very high178 Ų17845.9 Ų45.977%0.77427%0.272SS*.Hα-helixtrans-65.5-41.2-179.1-173.7-178.4177.3-174.40112.5T99 A104 A105T99-K101 PolarHBondContact O-N 2.93Å; K101-A104 PolarHBondContact O-N 3.06Å; K101-A105 WeakPolarHBondContact O-CB 3.39Å; K101-A105 PolarHBondContact O-N 3.29Å
102E97.5Very high92.3Very high101 Ų10147.6 Ų47.647%0.47228%0.276SS..Hα-helixtrans-69.8-42178.1-71.5163.4159.100111.1C97 T99 A104 A105 L106C97-E102 HydrophobicContact CB-CB 3.48Å; C97-E102 VanDerWaalsContact CB-CB 3.48Å; T99-E102 PolarHBondContact N-OE2 3.08Å; T99-E102 PolarHBondContact O-N 3.46Å; T99-E102 VanDerWaalsContact O-N 3.12Å; T99-E102 WeakPolarHBondContact OG1-CB 3.41Å; T99-E102 WeakPolarHBondContact OG1-CG 3.21Å; T99-E102 PolarHBondContact OG1-N 2.93Å; T99-E102 PolarHBondContact OG1-OE2 3.27Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 3.13Å; E102-A105 PolarHBondContact O-N 3.02Å; E102-L106 PolarHBondContact O-N 3.27Å
103T97.3Very high92.3Very high2 Ų248.9 Ų48.91%0.01229%0.293CS..Hα-helixtrans-60.6-43.5173.2-650000111C97 T99 E100 A105 L106 L107 A122 I125 H126C97-T103 PolarHBondContact N-OG1 3.2Å; C97-T103 VanDerWaalsContact N-OG1 3.08Å; T99-T103 PolarHBondContact O-N 2.99Å; E100-T103 PolarHBondContact O-N 2.93Å; T103-A105 VanDerWaalsContact C-N 3.34Å; T103-A105 PolarHBondContact O-N 2.9Å; T103-L106 PolarHBondContact O-N 2.88Å; T103-L107 HydrophobicContact CG2-CD1 3.88Å; T103-L107 HydrophobicContact CG2-CG 4.21Å; T103-L107 WeakPolarHBondContact O-CB 3.42Å; T103-L107 VanDerWaalsContact O-CG 3.3Å; T103-L107 WeakPolarHBondContact O-CG 3.29Å; T103-L107 PolarHBondContact O-N 2.92Å; T103-A122 HydrophobicContact CG2-CB 3.87Å; T103-I125 HydrophobicContact CG2-CD1 4.3Å; T103-H126 PolarHBondContact OG1-NE2 3.3Å
104A97.1Very high92.2Very high9 Ų946.8 Ų46.87%0.07428%0.283CS..Hα-helixtrans-61.8-42176.500000111.8E100 K101 E102 L106 L107 A108 A118 A122E100-A104 WeakPolarHBondContact O-CB 3.45Å; E100-A104 PolarHBondContact O-N 3.39Å; K101-A104 PolarHBondContact O-N 3.06Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 3.13Å; A104-L106 PolarHBondContact O-N 3.03Å; A104-L107 PolarHBondContact O-N 3.38Å; A104-A108 WeakPolarHBondContact O-CB 3.41Å; A104-A108 PolarHBondContact O-N 3.39Å; A104-A118 WeakPolarHBondContact O-CB 3.38Å; A104-A122 HydrophobicContact CB-CB 3.69Å
105A96.4Very high92.4Very high58 Ų5852 Ų5248%0.47931%0.307SS..Hα-helixtrans-62.1-43.3177.100000111.9K101 E102 T103 A108 T109K101-A105 WeakPolarHBondContact O-CB 3.39Å; K101-A105 PolarHBondContact O-N 3.29Å; E102-A105 PolarHBondContact O-N 3.02Å; T103-A105 VanDerWaalsContact C-N 3.34Å; T103-A105 PolarHBondContact O-N 2.9Å; A105-A108 PolarHBondContact O-N 3.5Å; A105-T109 PolarHBondContact O-N 3.17Å
106L94.1Very high92.4Very high35 Ų3553.3 Ų53.318%0.18332%0.315CS..Hα-helixtrans-63.7-50.4175.4178.763.7000111.3V92 T95 E102 T103 A104 A108 T109 V110V92-L106 HydrophobicContact CG1-CD1 3.84Å; T95-L106 WeakPolarHBondContact O-CD2 3.49Å; E102-L106 PolarHBondContact O-N 3.27Å; T103-L106 PolarHBondContact O-N 2.88Å; A104-L106 PolarHBondContact O-N 3.03Å; L106-A108 PolarHBondContact O-N 3.08Å; L106-T109 WeakPolarHBondContact O-CB 3.31Å; L106-T109 PolarHBondContact O-N 2.97Å; L106-T109 PolarHBondContact O-OG1 2.74Å; L106-V110 PolarHBondContact O-N 3.44Å
107L92.6Very high92.2Very high1 Ų152.5 Ų52.51%0.00531%0.31CS..Hα-helixtrans-61.2-35-179.5-70.3178.2000111.7L52 V56 V94 T103 A104 T109 V110 L111 A118 L121 A122 I125L52-L107 HydrophobicContact CD1-CD2 4.31Å; V56-L107 HydrophobicContact CG1-CD2 3.73Å; V94-L107 HydrophobicContact CG1-CD2 4.3Å; T103-L107 HydrophobicContact CG2-CD1 3.88Å; T103-L107 HydrophobicContact CG2-CG 4.21Å; T103-L107 WeakPolarHBondContact O-CB 3.42Å; T103-L107 VanDerWaalsContact O-CG 3.3Å; T103-L107 WeakPolarHBondContact O-CG 3.29Å; T103-L107 PolarHBondContact O-N 2.92Å; A104-L107 PolarHBondContact O-N 3.38Å; L107-T109 PolarHBondContact O-N 2.97Å; L107-V110 CarbonylContact O-C 3.6Å; L107-V110 PolarHBondContact O-N 2.85Å; L107-L111 HydrophobicContact CB-CD1 4.31Å; L107-L111 VanDerWaalsContact O-CB 3.24Å; L107-L111 WeakPolarHBondContact O-CB 3.46Å; L107-L111 VanDerWaalsContact O-CG 3.28Å; L107-L111 WeakPolarHBondContact O-CG 3.47Å; L107-L111 PolarHBondContact O-N 3.08Å; L107-A118 HydrophobicContact CB-CB 3.89Å; L107-L121 HydrophobicContact CD1-CB 3.76Å; L107-A122 HydrophobicContact CD1-CB 4.36Å; L107-I125 HydrophobicContact CD1-CD1 3.99Å
108A91.3Very high92.1Very high4 Ų451 Ų513%0.03330%0.3CS..Hα-helixtrans-61.7-30.3174.900000112.9A104 A105 L106 V110 L111 D112 G113 A118A104-A108 WeakPolarHBondContact O-CB 3.41Å; A104-A108 PolarHBondContact O-N 3.39Å; A105-A108 PolarHBondContact O-N 3.5Å; L106-A108 PolarHBondContact O-N 3.08Å; A108-V110 VanDerWaalsContact C-N 3.34Å; A108-L111 CarbonylContact O-C 3.55Å; A108-L111 PolarHBondContact O-N 3.36Å; A108-D112 PolarHBondContact O-N 2.92Å; A108-G113 WeakPolarHBondContact O-CA 3.38Å; A108-G113 PolarHBondContact O-N 3.49Å; A108-A118 HydrophobicContact CB-CB 3.82Å
109T87.9Confident92.4Very high69 Ų6950.3 Ų50.342%0.42328%0.282SS..Hα-helixtrans-70-32.717470.40000112.6A105 L106 L107A105-T109 PolarHBondContact O-N 3.17Å; L106-T109 WeakPolarHBondContact O-CB 3.31Å; L106-T109 PolarHBondContact O-N 2.97Å; L106-T109 PolarHBondContact O-OG1 2.74Å; L107-T109 PolarHBondContact O-N 2.97Å
110V85.1Confident92.4Very high9 Ų948.8 Ų48.86%0.05527%0.272CS..Hα-helixtrans-81.6-23.4176.1-176.50000111.1F45 L52 F84 V92 V94 L106 L107 A108F45-V110 WeakPolarHBondContact CE2-O 3.43Å; F45-V110 WeakPolarHBondContact CZ-O 3.32Å; L52-V110 HydrophobicContact CD1-CG1 3.96Å; L52-V110 HydrophobicContact CD2-CG1 4.44Å; F84-V110 HydrophobicContact CB-CG1 4.35Å; F84-V110 HydrophobicContact CD1-CG1 4.25Å; F84-V110 HydrophobicContact CG-CG1 4.14Å; V92-V110 HydrophobicContact CB-CG2 4.05Å; V92-V110 HydrophobicContact CG1-CG2 3.58Å; V94-V110 HydrophobicContact CG2-CG1 4.44Å; V94-V110 HydrophobicContact CG2-CG2 3.78Å; L106-V110 PolarHBondContact O-N 3.44Å; L107-V110 CarbonylContact O-C 3.6Å; L107-V110 PolarHBondContact O-N 2.85Å; A108-V110 VanDerWaalsContact C-N 3.34Å
111L83.9Confident92.3Very high6 Ų645.4 Ų45.43%0.03126%0.256CS..THydrogen-bonded Turntrans-9826.8-179.2-68.6170.6000113L31 F45 F49 L52 L107 A108 G113 D114 A117 A118 L121L31-L111 HydrophobicContact CD1-CD2 4.17Å; F45-L111 VanDerWaalsContact CZ-C 3.48Å; F49-L111 HydrophobicContact CD2-CD2 3.76Å; F49-L111 HydrophobicContact CE2-CD2 3.88Å; L52-L111 HydrophobicContact CD2-CD1 4.29Å; L52-L111 HydrophobicContact CD2-CD2 3.5Å; L52-L111 VanDerWaalsContact CD2-CD2 3.5Å; L52-L111 HydrophobicContact CD2-CG 3.91Å; L107-L111 HydrophobicContact CB-CD1 4.31Å; L107-L111 VanDerWaalsContact O-CB 3.24Å; L107-L111 WeakPolarHBondContact O-CB 3.46Å; L107-L111 VanDerWaalsContact O-CG 3.28Å; L107-L111 WeakPolarHBondContact O-CG 3.47Å; L107-L111 PolarHBondContact O-N 3.08Å; A108-L111 CarbonylContact O-C 3.55Å; A108-L111 PolarHBondContact O-N 3.36Å; L111-G113 PolarHBondContact O-N 3.3Å; L111-D114 HydrophobicContact CB-CB 4.19Å; L111-D114 WeakPolarHBondContact O-CB 3.34Å; L111-D114 PolarHBondContact O-N 3.02Å; L111-A117 HydrophobicContact CD1-CB 3.98Å; L111-A118 HydrophobicContact CD1-CB 4Å; L111-L121 HydrophobicContact CD1-CD1 4.1Å
112D82Confident92.2Very high102 Ų10237 Ų3755%0.54522%0.219SC..THydrogen-bonded Turntrans5133.3176.7-77.3-15.5000113.2F45 A108F45-D112 WeakPolarHBondContact CD2-OD2 3.28Å; F45-D112 HydrophobicContact CE1-CB 4.4Å; F45-D112 HydrophobicContact CE2-CB 4.09Å; F45-D112 VanDerWaalsContact CE2-OD1 3.3Å; F45-D112 WeakPolarHBondContact CE2-OD1 3.43Å; F45-D112 VanDerWaalsContact CE2-OD2 3.31Å; F45-D112 WeakPolarHBondContact CE2-OD2 3.36Å; F45-D112 HydrophobicContact CZ-CB 3.73Å; A108-D112 PolarHBondContact O-N 2.92Å
113G85.2Confident92.2Very high45 Ų4538.4 Ų38.446%0.46422%0.22SC..THydrogen-bonded Turntrans86.55.7-178.800000115.5A108 L111 Q115A108-G113 WeakPolarHBondContact O-CA 3.38Å; A108-G113 PolarHBondContact O-N 3.49Å; L111-G113 PolarHBondContact O-N 3.3Å; G113-Q115 VanDerWaalsContact C-N 3.34Å; G113-Q115 PolarHBondContact O-N 3.34Å
114D88.3Confident92Very high56 Ų5638.5 Ų38.530%0.29922%0.221SC..  trans-68.988.6175.4-170.5-16.6000111.5L111 T116 A117 A118L111-D114 HydrophobicContact CB-CB 4.19Å; L111-D114 WeakPolarHBondContact O-CB 3.34Å; L111-D114 PolarHBondContact O-N 3.02Å; D114-T116 PolarHBondContact O-N 3.21Å; D114-T116 WeakPolarHBondContact OD1-CA 3.39Å; D114-T116 WeakPolarHBondContact OD1-CB 3.49Å; D114-T116 PolarHBondContact OD1-N 3.46Å; D114-A117 HydrophobicContact CB-CB 4.23Å; D114-A117 PolarHBondContact OD1-N 2.63Å; D114-A117 WeakPolarHBondContact OD2-CB 3.22Å; D114-A118 VanDerWaalsContact O-CB 3.23Å; D114-A118 WeakPolarHBondContact O-CB 3.41Å; D114-A118 PolarHBondContact O-N 3.07Å
115Q94Very high92Very high111 Ų11138.1 Ų38.152%0.51922%0.218SC..Hα-helixtrans-63.1-28178-63-59.9-4000112.8G113 T119G113-Q115 VanDerWaalsContact C-N 3.34Å; G113-Q115 PolarHBondContact O-N 3.34Å; Q115-T119 VanDerWaalsContact O-CB 3.25Å; Q115-T119 WeakPolarHBondContact O-CB 2.88Å; Q115-T119 PolarHBondContact O-N 3.35Å; Q115-T119 PolarHBondContact O-OG1 2.89Å
116T94.2Very high91.9Very high84 Ų8437.7 Ų37.752%0.51521%0.206SC..Hα-helixtrans-73.1-52.9-176.5-55.40000109.4P27 D114 A118 T119 L120P27-T116 HydrophobicContact CB-CG2 4.3Å; P27-T116 HydrophobicContact CG-CG2 3.99Å; D114-T116 PolarHBondContact O-N 3.21Å; D114-T116 WeakPolarHBondContact OD1-CA 3.39Å; D114-T116 WeakPolarHBondContact OD1-CB 3.49Å; D114-T116 PolarHBondContact OD1-N 3.46Å; T116-A118 VanDerWaalsContact C-N 3.35Å; T116-A118 PolarHBondContact O-N 3.26Å; T116-T119 PolarHBondContact O-N 3.37Å; T116-L120 HydrophobicContact CG2-CD1 4.22Å; T116-L120 WeakPolarHBondContact O-CG 3.24Å; T116-L120 PolarHBondContact O-N 3.36Å
117A91.9Very high91.7Very high0 Ų040.8 Ų40.80%022%0.219CC..Hα-helixtrans-60.7-45.1176.100000111.4L28 L31 L111 D114 T119 L120 L121L28-A117 HydrophobicContact CD2-CB 3.7Å; L31-A117 HydrophobicContact CD1-CB 3.62Å; L111-A117 HydrophobicContact CD1-CB 3.98Å; D114-A117 HydrophobicContact CB-CB 4.23Å; D114-A117 PolarHBondContact OD1-N 2.63Å; D114-A117 WeakPolarHBondContact OD2-CB 3.22Å; A117-T119 PolarHBondContact O-N 3.4Å; A117-L120 PolarHBondContact O-N 3.12Å; A117-L121 PolarHBondContact O-N 3.13Å
118A93.8Very high91.1Very high0 Ų046.6 Ų46.60%025%0.25CS..Hα-helixtrans-60.1-43.5179.100000112.9A104 L107 A108 L111 D114 T116 A122A104-A118 WeakPolarHBondContact O-CB 3.38Å; L107-A118 HydrophobicContact CB-CB 3.89Å; A108-A118 HydrophobicContact CB-CB 3.82Å; L111-A118 HydrophobicContact CD1-CB 4Å; D114-A118 VanDerWaalsContact O-CB 3.23Å; D114-A118 WeakPolarHBondContact O-CB 3.41Å; D114-A118 PolarHBondContact O-N 3.07Å; T116-A118 VanDerWaalsContact C-N 3.35Å; T116-A118 PolarHBondContact O-N 3.26Å; A118-A122 VanDerWaalsContact O-CB 3.22Å; A118-A122 WeakPolarHBondContact O-CB 3.22Å; A118-A122 PolarHBondContact O-N 3.36Å
119T96.9Very high90.1Very high51 Ų5147.5 Ų47.531%0.31326%0.257SS..Hα-helixtrans-67.2-41.2178.2-59.20000111.7Q115 T116 A117 R123Q115-T119 VanDerWaalsContact O-CB 3.25Å; Q115-T119 WeakPolarHBondContact O-CB 2.88Å; Q115-T119 PolarHBondContact O-N 3.35Å; Q115-T119 PolarHBondContact O-OG1 2.89Å; T116-T119 PolarHBondContact O-N 3.37Å; A117-T119 PolarHBondContact O-N 3.4Å; T119-R123 VanDerWaalsContact O-CB 3.32Å; T119-R123 WeakPolarHBondContact O-CB 3.44Å; T119-R123 PolarHBondContact O-N 2.8Å
120L96.1Very high88.9Confident33 Ų3354.2 Ų54.217%0.17328%0.281CS..Hα-helixtrans-63.7-45.6178.4-72.3169.4000111.7E25 P27 L28 T116 A117 R123 A124E25-L120 HydrophobicContact CB-CD1 4.13Å; E25-L120 HydrophobicContact CG-CD1 4.36Å; E25-L120 HydrophobicContact CG-CD2 4.3Å; P27-L120 HydrophobicContact CB-CD1 4.24Å; P27-L120 HydrophobicContact CG-CD1 4.01Å; L28-L120 HydrophobicContact CD1-CB 3.92Å; L28-L120 HydrophobicContact CD2-CB 4.39Å; L28-L120 HydrophobicContact CG-CB 4.23Å; L28-L120 HydrophobicContact CG-CD1 4.34Å; T116-L120 HydrophobicContact CG2-CD1 4.22Å; T116-L120 WeakPolarHBondContact O-CG 3.24Å; T116-L120 PolarHBondContact O-N 3.36Å; A117-L120 PolarHBondContact O-N 3.12Å; L120-R123 PolarHBondContact O-N 3Å; L120-A124 PolarHBondContact O-N 3.33Å; L120-A124 VanDerWaalsContact O-N 3.08Å
121L94.4Very high88Confident0 Ų055.3 Ų55.30%029%0.286CS..Hα-helixtrans-64.2-48.9176-78.4171.2000111.8C22 L28 F49 L52 L107 L111 A117 R123 A124 I125C22-L121 VanDerWaalsContact SG-CD2 3.52Å; L28-L121 HydrophobicContact CD1-CD2 3.98Å; L28-L121 HydrophobicContact CD1-CG 4.04Å; L28-L121 HydrophobicContact CD2-CD1 4.01Å; L28-L121 HydrophobicContact CD2-CD2 4.31Å; L28-L121 HydrophobicContact CD2-CG 3.69Å; F49-L121 HydrophobicContact CE2-CD1 4.16Å; F49-L121 HydrophobicContact CZ-CD1 4.37Å; L52-L121 HydrophobicContact CD2-CD1 4.38Å; L107-L121 HydrophobicContact CD1-CB 3.76Å; L111-L121 HydrophobicContact CD1-CD1 4.1Å; A117-L121 PolarHBondContact O-N 3.13Å; L121-R123 VanDerWaalsContact C-N 3.27Å; L121-R123 PolarHBondContact O-N 2.92Å; L121-A124 PolarHBondContact O-N 3.46Å; L121-A124 VanDerWaalsContact O-N 3.09Å; L121-I125 WeakPolarHBondContact O-CB 3.3Å; L121-I125 WeakPolarHBondContact O-CD1 3.35Å; L121-I125 VanDerWaalsContact O-CG1 3.24Å; L121-I125 WeakPolarHBondContact O-CG1 3.43Å; L121-I125 PolarHBondContact O-N 3.14Å
122A96.7Very high86.8Confident0 Ų060 Ų600%032%0.315CS..Hα-helixtrans-58.1-41.717900000111.7E100 T103 A104 L107 A118 I125 H126E100-A122 HydrophobicContact CG-CB 4.15Å; E100-A122 WeakPolarHBondContact O-CB 3.33Å; T103-A122 HydrophobicContact CG2-CB 3.87Å; A104-A122 HydrophobicContact CB-CB 3.69Å; L107-A122 HydrophobicContact CD1-CB 4.36Å; A118-A122 VanDerWaalsContact O-CB 3.22Å; A118-A122 WeakPolarHBondContact O-CB 3.22Å; A118-A122 PolarHBondContact O-N 3.36Å; A122-I125 PolarHBondContact O-N 3.4Å; A122-H126 WeakPolarHBondContact O-CB 3.39Å; A122-H126 PolarHBondContact O-CD2 3.02Å; A122-H126 VanDerWaalsContact O-CD2 3.28Å; A122-H126 PolarHBondContact O-N 3.43Å
123R96.6Very high85.6Confident132 Ų13256.7 Ų56.750%0.49830%0.297SS..Hα-helixtrans-60-47.3174.2-176.1176.4-64.5165.83112E100 T119 L120 L121 I125 H126 Q127E100-R123 WeakPolarHBondContact OE1-CB 3.39Å; E100-R123 IonicContact OE1-NE 3.07Å; T119-R123 VanDerWaalsContact O-CB 3.32Å; T119-R123 WeakPolarHBondContact O-CB 3.44Å; T119-R123 PolarHBondContact O-N 2.8Å; L120-R123 PolarHBondContact O-N 3Å; L121-R123 VanDerWaalsContact C-N 3.27Å; L121-R123 PolarHBondContact O-N 2.92Å; R123-I125 VanDerWaalsContact C-N 3.29Å; R123-I125 PolarHBondContact O-N 3.11Å; R123-H126 PolarHBondContact O-N 2.75Å; R123-Q127 VanDerWaalsContact O-CB 3.29Å; R123-Q127 WeakPolarHBondContact O-CB 3.32Å; R123-Q127 PolarHBondContact O-N 2.92Å
124A94.8Very high83.9Confident3 Ų359.3 Ų59.33%0.02530%0.304CS..Hα-helixtrans-62.3-37.9178.500000112.2V18 V21 L120 L121V18-A124 HydrophobicContact CG2-CB 4.01Å; V21-A124 HydrophobicContact CB-CB 4.24Å; V21-A124 HydrophobicContact CG1-CB 4.06Å; V21-A124 HydrophobicContact CG2-CB 4.25Å; L120-A124 PolarHBondContact O-N 3.33Å; L120-A124 VanDerWaalsContact O-N 3.08Å; L121-A124 PolarHBondContact O-N 3.46Å; L121-A124 VanDerWaalsContact O-N 3.09Å
125I95.3Very high82.3Confident2 Ų263.8 Ų63.81%0.0133%0.329CS..Hα-helixtrans-69.6-30.5176.6-68.3161.5000112.5K14 V18 V56 M60 V96 T103 L107 L121 A122 R123K14-I125 WeakPolarHBondContact CE-O 3.37Å; K14-I125 PolarHBondContact NZ-O 2.86Å; V18-I125 HydrophobicContact CG2-CG1 4.3Å; V56-I125 HydrophobicContact CB-CD1 3.77Å; V56-I125 HydrophobicContact CG1-CD1 4.2Å; V56-I125 HydrophobicContact CG2-CD1 4.13Å; M60-I125 HydrophobicContact CB-CG2 4.2Å; M60-I125 HydrophobicContact CG-CG2 4.08Å; V96-I125 HydrophobicContact CB-CG2 4.4Å; V96-I125 HydrophobicContact CG1-CG2 3.78Å; V96-I125 HydrophobicContact CG2-CG2 3.67Å; T103-I125 HydrophobicContact CG2-CD1 4.3Å; L107-I125 HydrophobicContact CD1-CD1 3.99Å; L121-I125 WeakPolarHBondContact O-CB 3.3Å; L121-I125 WeakPolarHBondContact O-CD1 3.35Å; L121-I125 VanDerWaalsContact O-CG1 3.24Å; L121-I125 WeakPolarHBondContact O-CG1 3.43Å; L121-I125 PolarHBondContact O-N 3.14Å; A122-I125 PolarHBondContact O-N 3.4Å; R123-I125 VanDerWaalsContact C-N 3.29Å; R123-I125 PolarHBondContact O-N 3.11Å
126H94.8Very high80.9Confident49 Ų4959.1 Ų59.123%0.22731%0.308CS..Hα-helixtrans-96.8-11-179.5-81.8-95.8000113.4C97 E100 T103 A122 R123 D128C97-H126 PolarHBondContact O-CE1 2.79Å; E100-H126 HydrophobicContact CB-CB 4.06Å; E100-H126 HydrophobicContact CG-CB 4.46Å; E100-H126 PolarHBondContact N-CE1 3.14Å; T103-H126 PolarHBondContact OG1-NE2 3.3Å; A122-H126 WeakPolarHBondContact O-CB 3.39Å; A122-H126 PolarHBondContact O-CD2 3.02Å; A122-H126 VanDerWaalsContact O-CD2 3.28Å; A122-H126 PolarHBondContact O-N 3.43Å; R123-H126 PolarHBondContact O-N 2.75Å; H126-D128 PolarHBondContact O-N 3.46Å
127Q91.1Very high79.8Confident99 Ų9957.9 Ų57.946%0.46331%0.311SS..SBendtrans-69122.4179.1-174.4174.52.200110.9K14 R123 A129K14-Q127 WeakPolarHBondContact CE-O 3.33Å; R123-Q127 VanDerWaalsContact O-CB 3.29Å; R123-Q127 WeakPolarHBondContact O-CB 3.32Å; R123-Q127 PolarHBondContact O-N 2.92Å; Q127-A129 PolarHBondContact O-N 3.03Å
128D79.2Confident79.2Confident124 Ų12457.9 Ų57.966%0.66331%0.311SS*.PPolyproline II helixtrans-63.5123.3170.7-85.5-31000110.5H126 K130H126-D128 PolarHBondContact O-N 3.46Å; D128-K130 PolarHBondContact O-N 2.84Å; D128-K130 VanDerWaalsContact O-N 3.16Å
129A69.3Low78.2Confident22 Ų2262.3 Ų62.318%0.18234%0.335CS..PPolyproline II helixtrans-66.5116.2172.700000108.9R10 E13 K14 Q127 L131R10-A129 HydrophobicContact CG-CB 4.23Å; E13-A129 HydrophobicContact CB-CB 4.32Å; E13-A129 HydrophobicContact CG-CB 4.27Å; K14-A129 HydrophobicContact CB-CB 4.16Å; Q127-A129 PolarHBondContact O-N 3.03Å; A129-L131 PolarHBondContact O-N 3.44Å
130K64.2Low77.4Confident211 Ų21167.7 Ų67.792%0.91736%0.362SS*.  trans-72.866.6168-67-173.5-178.8-178.90109.4D128D128-K130 PolarHBondContact O-N 2.84Å; D128-K130 VanDerWaalsContact O-N 3.16Å
131L65.3Low76.8Confident32 Ų3267.8 Ų67.817%0.16836%0.362CS..  trans-84.2112.5167.5-157.885.4000107.3L9 E13 A129 L133L9-L131 HydrophobicContact CB-CD2 4.06Å; E13-L131 HydrophobicContact CB-CD1 3.84Å; E13-L131 HydrophobicContact CG-CD1 3.71Å; A129-L131 PolarHBondContact O-N 3.44Å; L131-L133 HydrophobicContact CD2-CD2 3.67Å; L131-L133 HydrophobicContact CD2-CG 4.16Å; L131-L133 PolarHBondContact O-N 2.98Å
132T58.6Low76.4Confident105 Ų10575 Ų7564%0.64440%0.396SS*.  trans-70.988.2168.7-41.70000107.4T134T132-T134 VanDerWaalsContact CG2-OG1 3.3Å; T132-T134 WeakPolarHBondContact CG2-OG1 3.39Å; T132-T134 PolarHBondContact O-N 2.95Å; T132-T134 VanDerWaalsContact O-N 3.08Å
133L56.7Low76Confident31 Ų3175.3 Ų75.316%0.16240%0.397CS..G310 helixtrans-61.8-14.5-175.7-78.7161.2000113.6K6 L9 L131 D135 T136K6-L133 HydrophobicContact CB-CD2 4.32Å; L9-L133 HydrophobicContact CB-CD2 4.44Å; L131-L133 HydrophobicContact CD2-CD2 3.67Å; L131-L133 HydrophobicContact CD2-CG 4.16Å; L131-L133 PolarHBondContact O-N 2.98Å; L133-D135 PolarHBondContact O-N 3.01Å; L133-D135 VanDerWaalsContact O-N 3.12Å; L133-T136 HydrophobicContact CD2-CG2 4.23Å; L133-T136 PolarHBondContact O-N 3.32Å; L133-T136 VanDerWaalsContact O-N 3.1Å; L133-T136 PolarHBondContact O-OG1 2.83Å
134T50.6Low75.6Confident100 Ų10072.9 Ų72.961%0.61340%0.399SS*.G310 helixtrans-61.6-19.9-175.5550000114.1T132T132-T134 VanDerWaalsContact CG2-OG1 3.3Å; T132-T134 WeakPolarHBondContact CG2-OG1 3.39Å; T132-T134 PolarHBondContact O-N 2.95Å; T132-T134 VanDerWaalsContact O-N 3.08Å
135D53.9Low75.4Confident151 Ų15174.1 Ų74.181%0.80741%0.405SS*.G310 helixtrans-100.13.2179.8-71-9.5000113.6L133 G137L133-D135 PolarHBondContact O-N 3.01Å; L133-D135 VanDerWaalsContact O-N 3.12Å; D135-G137 VanDerWaalsContact C-N 3.32Å; D135-G137 PolarHBondContact O-N 3.45Å
136T65.3Low75.4Confident13 Ų1376.1 Ų76.18%0.0842%0.419CS..SBendtrans-79.8-13.1-175.162.30000113.7L9 L133 T138 W221L9-T136 HydrophobicContact CD1-CG2 4.05Å; L133-T136 HydrophobicContact CD2-CG2 4.23Å; L133-T136 PolarHBondContact O-N 3.32Å; L133-T136 VanDerWaalsContact O-N 3.1Å; L133-T136 PolarHBondContact O-OG1 2.83Å; T136-T138 PolarHBondContact O-N 2.86Å; T136-T138 PolarHBondContact OG1-OG1 3.02Å; T136-W221 WeakPolarHBondContact O-CZ2 3.45Å; T136-W221 PolarHBondContact O-NE1 2.88Å; T136-W221 VanDerWaalsContact O-NE1 3.15Å
137G71.6Confident75.3Confident57 Ų5775 Ų7559%0.58842%0.416SS*.SBendtrans65.721.3-178.200000114D135D135-G137 VanDerWaalsContact C-N 3.32Å; D135-G137 PolarHBondContact O-N 3.45Å
138T77.9Confident75.5Confident0 Ų072.2 Ų72.20%041%0.407CS..  trans-96.9-11.4-173.859.70000114.3L5 L9 T136 D140 L141 W221L5-T138 HydrophobicContact CD2-CG2 3.57Å; L5-T138 HydrophobicContact CG-CG2 4.1Å; L9-T138 HydrophobicContact CD1-CG2 4.06Å; T136-T138 PolarHBondContact O-N 2.86Å; T136-T138 PolarHBondContact OG1-OG1 3.02Å; T138-D140 VanDerWaalsContact C-N 3.34Å; T138-D140 PolarHBondContact O-N 2.99Å; T138-L141 HydrophobicContact CG2-CD1 4.47Å; T138-L141 PolarHBondContact O-N 2.85Å; T138-W221 HydrophobicContact CG2-CD2 4.31Å; T138-W221 HydrophobicContact CG2-CH2 4.32Å; T138-W221 HydrophobicContact CG2-CZ2 3.74Å
139D73.4Confident76.4Confident93 Ų9370.2 Ų70.250%0.49740%0.397SS..THydrogen-bonded Turntrans-66.4-31.7-171.3-72.1-36.5000113.7K6K6-D139 WeakPolarHBondContact CE-OD1 3.24Å; K6-D139 IonicContact NZ-OD1 3.21Å; K6-D139 PolarHBondContact NZ-OD1 3.34Å
140D79.6Confident77.7Confident164 Ų16469.1 Ų69.188%0.87739%0.388SS*.THydrogen-bonded Turntrans-92.43.1-177.3-62.2-39.5000113.9T138 H142T138-D140 VanDerWaalsContact C-N 3.34Å; T138-D140 PolarHBondContact O-N 2.99Å; D140-H142 PolarHBondContact O-N 3.21Å
141L83.8Confident79.4Confident35 Ų3559.1 Ų59.118%0.18334%0.344CS..  trans-81.8109.8-174.5-67.7176.8000112.4A2 L5 T138 I143 W221 A230A2-L141 WeakPolarHBondContact CB-O 3.3Å; L5-L141 HydrophobicContact CD2-CD1 4.11Å; T138-L141 HydrophobicContact CG2-CD1 4.47Å; T138-L141 PolarHBondContact O-N 2.85Å; L141-I143 HydrophobicContact CB-CD1 4.4Å; L141-I143 HydrophobicContact CB-CG1 4.19Å; L141-I143 PolarHBondContact O-N 3.04Å; L141-W221 HydrophobicContact CD1-CH2 3.64Å; L141-W221 HydrophobicContact CD1-CZ3 3.79Å; L141-A230 HydrophobicContact CD1-CB 4.16Å; L141-A230 HydrophobicContact CD2-CB 3.66Å
142H86.2Confident81Confident153 Ų15357.6 Ų57.671%0.70834%0.336SS*.  trans-86.4100.4167.8-172.8-85.3000111.1D140 P144 V228D140-H142 PolarHBondContact O-N 3.21Å; H142-P144 WeakPolarHBondContact O-CD 3.15Å; H142-V228 WeakPolarHBondContact O-CG2 3.31Å
143I87.2Confident82.9Confident5 Ų552.6 Ų52.63%0.02631%0.306CS..  trans-102.4107-179.3-52.8173.1000109.5M1 L141 L145 M200 V223M1-I143 HydrophobicContact CB-CB 4.17Å; M1-I143 HydrophobicContact CB-CG2 4.07Å; M1-I143 PolarHBondContact N-O 2.63Å; L141-I143 HydrophobicContact CB-CD1 4.4Å; L141-I143 HydrophobicContact CB-CG1 4.19Å; L141-I143 PolarHBondContact O-N 3.04Å; I143-L145 VanDerWaalsContact C-N 3.3Å; I143-L145 HydrophobicContact CG2-CB 4.38Å; I143-L145 HydrophobicContact CG2-CD1 3.69Å; I143-L145 HydrophobicContact CG2-CG 3.98Å; I143-L145 PolarHBondContact O-N 2.73Å; I143-M200 HydrophobicContact CD1-CE 3.84Å; I143-V223 HydrophobicContact CD1-CB 4.47Å; I143-V223 HydrophobicContact CD1-CG1 3.92Å; I143-V223 HydrophobicContact CD1-CG2 3.85Å; I143-V223 HydrophobicContact CG1-CG1 4.15Å; I143-V223 HydrophobicContact CG2-CG1 4.18Å
144P89.1Confident84.9Confident82 Ų8251.1 Ų51.153%0.53230%0.298SS..  trans-83.866.4-172.336.3-36.9000111.9H142H142-P144 WeakPolarHBondContact O-CD 3.15Å
145L91.4Very high87.2Confident28 Ų2846.4 Ų46.415%0.14727%0.269CS..  trans-123.6150.9178.6-70.1172.5000110M1 I143 L150 L192 V199 C225M1-L145 HydrophobicContact CB-CB 4.19Å; M1-L145 HydrophobicContact CG-CB 3.61Å; M1-L145 WeakPolarHBondContact CG-O 3.49Å; I143-L145 VanDerWaalsContact C-N 3.3Å; I143-L145 HydrophobicContact CG2-CB 4.38Å; I143-L145 HydrophobicContact CG2-CD1 3.69Å; I143-L145 HydrophobicContact CG2-CG 3.98Å; I143-L145 PolarHBondContact O-N 2.73Å; L145-L150 HydrophobicContact CB-CD1 4.37Å; L145-L150 HydrophobicContact CB-CD2 4.49Å; L145-L150 HydrophobicContact CD1-CD2 4.09Å; L145-L150 HydrophobicContact CD2-CD2 4.34Å; L145-L192 HydrophobicContact CD2-CD2 3.81Å; L145-V199 HydrophobicContact CD1-CB 4.17Å; L145-V199 HydrophobicContact CD1-CG2 3.84Å; L145-C225 HydrophobicContact CD1-CB 4.27Å; L145-C225 WeakPolarHBondContact CD2-SG 3.18Å
146S93.8Very high89.2Confident44 Ų4439.2 Ų39.231%0.30823%0.231SC..  trans-102.3138.3170.6-175.90000110.1S148 D149 L150S146-S148 PolarHBondContact O-N 2.69Å; S146-S148 PolarHBondContact OG-OG 3.01Å; S146-D149 WeakPolarHBondContact CB-OD2 3.33Å; S146-D149 PolarHBondContact O-N 3.45Å; S146-D149 VanDerWaalsContact O-N 3.12Å; S146-L150 WeakPolarHBondContact O-CG 3.47Å
147P94.3Very high90.7Very high26 Ų2638.8 Ų38.817%0.16923%0.228CC..G310 helixtrans-51.7-41174.3-25.533.6000113.7M1 F69 E71 M72 D149 L150M1-P147 HydrophobicContact CE-CB 4.27Å; M1-P147 HydrophobicContact CE-CG 3.82Å; M1-P147 HydrophobicContact SD-CG 3.84Å; F69-P147 HydrophobicContact CD1-CB 4.27Å; F69-P147 HydrophobicContact CD1-CG 3.93Å; F69-P147 HydrophobicContact CE1-CG 4.42Å; E71-P147 HydrophobicContact CB-CB 4.4Å; M72-P147 HydrophobicContact CG-CB 3.91Å; M72-P147 WeakPolarHBondContact CG-O 3.23Å; M72-P147 HydrophobicContact SD-CB 4.04Å; P147-D149 PolarHBondContact O-N 2.99Å; P147-D149 VanDerWaalsContact O-N 3.1Å; P147-L150 PolarHBondContact O-N 2.93Å; P147-L150 VanDerWaalsContact O-N 3.11Å
148S95.4Very high91.9Very high40 Ų4036.5 Ų36.528%0.2820%0.202SC..G310 helixtrans-54.9-28178.660.60000114.8E71 S146 L150 R193E71-S148 PolarHBondContact OE2-N 2.87Å; S146-S148 PolarHBondContact O-N 2.69Å; S146-S148 PolarHBondContact OG-OG 3.01Å; S148-L150 VanDerWaalsContact C-N 3.33Å; S148-R193 PolarHBondContact O-NH1 3.44Å
149D96.4Very high92.7Very high82 Ų8237.2 Ų37.244%0.43921%0.208SC..G310 helixtrans-90.7-3.7-173.5-57-21.5000112.2S146 P147 L192 R193S146-D149 WeakPolarHBondContact CB-OD2 3.33Å; S146-D149 PolarHBondContact O-N 3.45Å; S146-D149 VanDerWaalsContact O-N 3.12Å; P147-D149 PolarHBondContact O-N 2.99Å; P147-D149 VanDerWaalsContact O-N 3.1Å; D149-L192 HydrophobicContact CB-CD2 4.43Å; D149-R193 WeakPolarHBondContact O-CG 3.28Å; D149-R193 PolarHBondContact O-N 2.97Å
150L98.2Very high93.6Very high0 Ų034.4 Ų34.40%019%0.194CC..EExtended strand (participates in β ladder)trans-107.9141-168.8-57.9175.3000112M1 L4 M72 L145 S146 P147 S148 V190 Y191 L192 R193 V199M1-L150 HydrophobicContact CE-CD1 3.77Å; M1-L150 HydrophobicContact CG-CD1 4.39Å; L4-L150 HydrophobicContact CD2-CD1 3.94Å; M72-L150 HydrophobicContact CE-CB 3.72Å; M72-L150 HydrophobicContact CE-CD1 4.36Å; M72-L150 HydrophobicContact SD-CB 4.49Å; L145-L150 HydrophobicContact CB-CD1 4.37Å; L145-L150 HydrophobicContact CB-CD2 4.49Å; L145-L150 HydrophobicContact CD1-CD2 4.09Å; L145-L150 HydrophobicContact CD2-CD2 4.34Å; S146-L150 WeakPolarHBondContact O-CG 3.47Å; P147-L150 PolarHBondContact O-N 2.93Å; P147-L150 VanDerWaalsContact O-N 3.11Å; S148-L150 VanDerWaalsContact C-N 3.33Å; L150-V190 HydrophobicContact CB-CG1 3.94Å; L150-V190 HydrophobicContact CD1-CG1 4.06Å; L150-V190 HydrophobicContact CD2-CG1 4Å; L150-V190 HydrophobicContact CG-CG1 4.2Å; L150-Y191 WeakPolarHBondContact CA-O 3.5Å; L150-L192 HydrophobicContact CD2-CD2 4.09Å; L150-R193 WeakPolarHBondContact O-CD 3.29Å; L150-V199 HydrophobicContact CD2-CG2 3.95Å
151G98.4Very high94.1Very high0 Ų029.9 Ų29.90%018%0.175CC..EExtended strand (participates in β ladder)trans-115.6158.1163.100000110.2H75 V190 Y191H75-G151 CarbonylContact O-C 3.48Å; H75-G151 WeakPolarHBondContact O-CA 3.4Å; G151-V190 VanDerWaalsContact O-CA 3.31Å; G151-V190 WeakPolarHBondContact O-CA 3.46Å; G151-Y191 VanDerWaalsContact C-CE1 3.47Å; G151-Y191 PolarHBondContact N-O 3.29Å; G151-Y191 WeakPolarHBondContact O-CD1 3.5Å; G151-Y191 PolarHBondContact O-N 2.89Å
152I98.8Very high94.6Very high0 Ų028.6 Ų28.60%017%0.168CC..EExtended strand (participates in β ladder)trans-121.7137.5176.1-58.6-172.9000109.7L8 V65 M72 H75 I76 Q77 I154 I188 G189 V190L8-I152 HydrophobicContact CD2-CD1 4.28Å; V65-I152 HydrophobicContact CG1-CD1 3.97Å; M72-I152 HydrophobicContact CE-CD1 3.59Å; M72-I152 HydrophobicContact CE-CG1 3.63Å; H75-I152 PolarHBondContact O-N 2.77Å; I76-I152 HydrophobicContact CG1-CB 4.23Å; I76-I152 HydrophobicContact CG1-CD1 4.23Å; I76-I152 HydrophobicContact CG1-CG1 4.42Å; I76-I152 HydrophobicContact CG2-CB 4.36Å; I76-I152 HydrophobicContact CG2-CG2 4.48Å; Q77-I152 PolarHBondContact N-O 3.15Å; I152-I154 HydrophobicContact CG2-CD1 4.47Å; I152-I154 HydrophobicContact CG2-CG1 3.85Å; I152-I188 HydrophobicContact CG2-CG2 3.71Å; I152-G189 CarbonylContact C-O 3.52Å; I152-G189 VanDerWaalsContact CA-O 3.23Å; I152-G189 WeakPolarHBondContact CA-O 3.35Å; I152-G189 WeakPolarHBondContact CG2-O 3.39Å; I152-V190 HydrophobicContact CG1-CG2 4.3Å
153W98.8Very high95Very high1 Ų121.4 Ų21.40%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-110.5131.2164.1-78.6114.1000109.9Q77 G189 Y191 K306 W307 C310 Y350 W363Q77-W153 HydrophobicContact CB-CD2 4.24Å; Q77-W153 HydrophobicContact CB-CE3 3.62Å; Q77-W153 HydrophobicContact CB-CH2 3.67Å; Q77-W153 HydrophobicContact CB-CZ2 4.28Å; Q77-W153 HydrophobicContact CB-CZ3 3.31Å; Q77-W153 HydrophobicContact CG-CH2 4.33Å; Q77-W153 HydrophobicContact CG-CZ3 4.41Å; Q77-W153 CarbonylContact O-C 3.52Å; Q77-W153 VanDerWaalsContact O-CA 3.32Å; Q77-W153 WeakPolarHBondContact O-CA 3.32Å; W153-G189 PolarHBondContact N-O 3.4Å; W153-G189 PolarHBondContact O-N 2.99Å; W153-Y191 AromaticContact CD1-CD1 3.57Å; W153-Y191 AromaticContact CD1-CE1 3.38Å; W153-Y191 HydrophobicContact CG-CE1 4.28Å; W153-Y191 AromaticContact NE1-CD1 3.95Å; W153-Y191 AromaticContact NE1-CE1 3.39Å; W153-Y191 AromaticContact NE1-CZ 3.92Å; W153-K306 HydrophobicContact CD2-CB 3.81Å; W153-K306 HydrophobicContact CE3-CB 4.42Å; W153-K306 HydrophobicContact CG-CB 4.06Å; W153-K306 HydrophobicContact CZ2-CB 4.03Å; W153-K306 HydrophobicContact CZ2-CG 4.31Å; W153-W307 HydrophobicContact CB-CB 4.49Å; W153-W307 HydrophobicContact CE3-CB 4.4Å; W153-W307 AromaticContact CE3-CE3 3.82Å; W153-W307 HydrophobicContact CE3-CE3 3.82Å; W153-W307 HydrophobicContact CH2-CE3 4.49Å; W153-W307 AromaticContact CZ3-CE3 3.62Å; W153-W307 HydrophobicContact CZ3-CE3 3.62Å; W153-W307 AromaticContact CZ3-CZ3 3.97Å; W153-W307 HydrophobicContact CZ3-CZ3 3.97Å; W153-C310 HydrophobicContact CB-CB 3.95Å; W153-C310 HydrophobicContact CG-CB 4.37Å; W153-Y350 PolarHBondContact NE1-O 3.42Å; W153-W363 HydrophobicContact CH2-CB 4.44Å; W153-W363 AromaticContact CH2-CD1 3.92Å; W153-W363 AromaticContact CH2-CD2 3.48Å; W153-W363 HydrophobicContact CH2-CD2 3.48Å; W153-W363 VanDerWaalsContact CH2-CD2 3.48Å; W153-W363 AromaticContact CH2-CE2 3.55Å; W153-W363 AromaticContact CH2-CE3 3.93Å; W153-W363 HydrophobicContact CH2-CE3 3.93Å; W153-W363 AromaticContact CH2-CG 3.72Å; W153-W363 HydrophobicContact CH2-CG 3.72Å; W153-W363 HydrophobicContact CH2-CH2 4.39Å; W153-W363 HydrophobicContact CH2-CZ2 4.03Å; W153-W363 HydrophobicContact CH2-CZ3 4.35Å; W153-W363 AromaticContact CH2-NE1 3.82Å; W153-W363 AromaticContact CZ2-CD2 3.61Å; W153-W363 HydrophobicContact CZ2-CD2 3.61Å; W153-W363 AromaticContact CZ2-CE2 3.9Å; W153-W363 AromaticContact CZ2-CE3 3.51Å; W153-W363 HydrophobicContact CZ2-CE3 3.51Å; W153-W363 HydrophobicContact CZ2-CG 4.21Å; W153-W363 AromaticContact CZ2-CH2 3.98Å; W153-W363 HydrophobicContact CZ2-CH2 3.98Å; W153-W363 HydrophobicContact CZ2-CZ2 4.08Å; W153-W363 AromaticContact CZ2-CZ3 3.7Å; W153-W363 HydrophobicContact CZ2-CZ3 3.7Å
154I98.7Very high95.1Very high0 Ų022.4 Ų22.40%014%0.14CC..EExtended strand (participates in β ladder)trans-118.5125.9179.6-56.9168.6000109.2Q58 I61 I76 Q77 G78 E79 I152 W307Q58-I154 HydrophobicContact CB-CG2 4.47Å; Q58-I154 HydrophobicContact CG-CB 4.29Å; Q58-I154 HydrophobicContact CG-CD1 4.14Å; Q58-I154 HydrophobicContact CG-CG2 4.19Å; I61-I154 HydrophobicContact CB-CD1 3.91Å; I61-I154 HydrophobicContact CD1-CG2 3.82Å; I61-I154 HydrophobicContact CG2-CD1 3.5Å; I61-I154 HydrophobicContact CG2-CG1 4.18Å; I76-I154 HydrophobicContact CG2-CD1 3.43Å; I76-I154 VanDerWaalsContact CG2-CD1 3.43Å; I76-I154 HydrophobicContact CG2-CG1 4.31Å; Q77-I154 PolarHBondContact O-N 2.82Å; G78-I154 WeakPolarHBondContact CA-O 3.39Å; E79-I154 PolarHBondContact N-O 2.84Å; I152-I154 HydrophobicContact CG2-CD1 4.47Å; I152-I154 HydrophobicContact CG2-CG1 3.85Å; I154-W307 WeakPolarHBondContact O-CB 3.45Å
155D98.3Very high95.2Very high1 Ų123.2 Ų23.21%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-107.2107.1157.9-175.4-23.5000106.8I157 D158 L187 W307D155-I157 PolarHBondContact OD1-N 3.15Å; D155-D158 WeakPolarHBondContact OD1-CA 3.34Å; D155-D158 PolarHBondContact OD1-N 2.88Å; D155-D158 WeakPolarHBondContact OD2-CA 3.37Å; D155-D158 VanDerWaalsContact OD2-CB 3.29Å; D155-D158 WeakPolarHBondContact OD2-CB 3.37Å; D155-L187 HydrophobicContact CB-CB 3.88Å; D155-L187 HydrophobicContact CB-CD1 4Å; D155-L187 HydrophobicContact CB-CG 4.06Å; D155-L187 PolarHBondContact N-O 3.3Å; D155-L187 PolarHBondContact O-N 2.77Å; D155-W307 HydrophobicContact CB-CB 4.06Å
156P97.1Very high95.2Very high0 Ų022.3 Ų22.30%014%0.135CC..EExtended strand (participates in β ladder)trans-66.9-40.6-173.425.6-32.1000112.5D54 I57 Q58 E80 V186D54-P156 HydrophobicContact CB-CB 4.25Å; D54-P156 HydrophobicContact CB-CG 3.63Å; D54-P156 VanDerWaalsContact O-CB 3.22Å; D54-P156 WeakPolarHBondContact O-CB 3.44Å; D54-P156 WeakPolarHBondContact O-CG 3.3Å; I57-P156 HydrophobicContact CB-CB 3.9Å; I57-P156 HydrophobicContact CG2-CB 3.61Å; Q58-P156 HydrophobicContact CB-CB 4.39Å; E80-P156 HydrophobicContact CG-CG 4.1Å; P156-V186 WeakPolarHBondContact O-CG2 3.39Å
157I96.7Very high95.1Very high4 Ų425.9 Ų25.92%0.02114%0.141CC..EExtended strand (participates in β ladder)trans-147.287.3174.9-48.7176.7000109.7A19 A53 D54 I57 D155 T160 Y163 A184 L185A19-I157 HydrophobicContact CB-CD1 4.38Å; A53-I157 HydrophobicContact CB-CD1 4.47Å; D54-I157 WeakPolarHBondContact OD1-CB 3.38Å; D54-I157 WeakPolarHBondContact OD1-CG1 3.24Å; D54-I157 PolarHBondContact OD1-N 2.93Å; I57-I157 HydrophobicContact CD1-CD1 3.83Å; I57-I157 HydrophobicContact CD1-CG1 3.84Å; D155-I157 PolarHBondContact OD1-N 3.15Å; I157-T160 PolarHBondContact O-N 3.41Å; I157-T160 PolarHBondContact O-OG1 2.76Å; I157-Y163 HydrophobicContact CD1-CD1 3.86Å; I157-Y163 HydrophobicContact CD1-CE1 3.66Å; I157-Y163 HydrophobicContact CD1-CG 4.42Å; I157-Y163 HydrophobicContact CG2-CD1 4.09Å; I157-Y163 HydrophobicContact CG2-CD2 4.39Å; I157-Y163 HydrophobicContact CG2-CG 3.83Å; I157-A184 HydrophobicContact CG2-CB 4.29Å; I157-L185 CarbonylContact C-O 3.57Å; I157-L185 WeakPolarHBondContact CA-O 3.37Å
158D97.1Very high94.9Very high9 Ų929.7 Ų29.75%0.04816%0.157CC..EExtended strand (participates in β ladder)trans-56.4144.7169.6172.441.8000108.3D155 A184 L185 L187 A282 G283 Y284D155-D158 WeakPolarHBondContact OD1-CA 3.34Å; D155-D158 PolarHBondContact OD1-N 2.88Å; D155-D158 WeakPolarHBondContact OD2-CA 3.37Å; D155-D158 VanDerWaalsContact OD2-CB 3.29Å; D155-D158 WeakPolarHBondContact OD2-CB 3.37Å; D158-A184 VanDerWaalsContact O-CA 3.23Å; D158-A184 WeakPolarHBondContact O-CA 3.46Å; D158-L185 HydrophobicContact CB-CB 4.21Å; D158-L185 PolarHBondContact N-O 3.05Å; D158-L185 PolarHBondContact O-N 2.87Å; D158-L187 HydrophobicContact CB-CD1 3.91Å; D158-L187 HydrophobicContact CB-CG 4.18Å; D158-A282 PolarHBondContact OD1-N 2.93Å; D158-A282 PolarHBondContact OD2-N 3.32Å; D158-G283 WeakPolarHBondContact OD2-CA 3.39Å; D158-G283 PolarHBondContact OD2-N 3.31Å; D158-Y284 PolarHBondContact OD2-N 2.9Å
159A94.4Very high94Very high14 Ų1430.5 Ų30.512%0.11616%0.156CC..THydrogen-bonded Turntrans58.444.3-175.200000113.1S161 Q162 Y163 C183 G281A159-S161 PolarHBondContact O-N 3.41Å; A159-Q162 HydrophobicContact CB-CB 4.11Å; A159-Q162 HydrophobicContact CB-CG 3.99Å; A159-Q162 WeakPolarHBondContact O-CA 3.32Å; A159-Q162 WeakPolarHBondContact O-CB 3.29Å; A159-Q162 PolarHBondContact O-N 3.38Å; A159-Y163 PolarHBondContact O-N 3.39Å; A159-Y163 VanDerWaalsContact O-N 3.07Å; A159-C183 HydrophobicContact CB-CB 4.46Å; A159-C183 WeakPolarHBondContact CB-O 3.14Å; A159-G281 VanDerWaalsContact CB-CA 3.47Å
160T91.6Very high92.7Very high34 Ų3431.2 Ų31.221%0.20917%0.173CC..Hα-helixtrans-47.4-36.5177.9-30.10000112.6D54 I157 Q162 Y163 I164D54-T160 WeakPolarHBondContact OD2-CG2 3.4Å; I157-T160 PolarHBondContact O-N 3.41Å; I157-T160 PolarHBondContact O-OG1 2.76Å; T160-Q162 PolarHBondContact O-N 3.25Å; T160-Y163 WeakPolarHBondContact O-CB 3.36Å; T160-Y163 PolarHBondContact O-N 3.12Å; T160-I164 HydrophobicContact CG2-CD1 3.94Å; T160-I164 HydrophobicContact CG2-CG1 4.48Å; T160-I164 WeakPolarHBondContact O-CD1 3.23Å; T160-I164 VanDerWaalsContact O-CG1 3.24Å; T160-I164 WeakPolarHBondContact O-CG1 3.07Å; T160-I164 PolarHBondContact O-N 2.9Å
161S90.7Very high91.4Very high70 Ų7033.7 Ų33.749%0.4919%0.194SC..Hα-helixtrans-59-43.6174.962.70000113A159 I164 E165A159-S161 PolarHBondContact O-N 3.41Å; S161-I164 PolarHBondContact O-N 3.24Å; S161-E165 WeakPolarHBondContact O-CB 3.39Å; S161-E165 VanDerWaalsContact O-CG 3.29Å; S161-E165 WeakPolarHBondContact O-CG 3.33Å; S161-E165 PolarHBondContact O-N 3.25Å
162Q94.1Very high90.3Very high8 Ų837.6 Ų37.64%0.03722%0.217CC..Hα-helixtrans-69.3-37.4176.2-59.4-54.5-69.500111.5A159 T160 G166 C183A159-Q162 HydrophobicContact CB-CB 4.11Å; A159-Q162 HydrophobicContact CB-CG 3.99Å; A159-Q162 WeakPolarHBondContact O-CA 3.32Å; A159-Q162 WeakPolarHBondContact O-CB 3.29Å; A159-Q162 PolarHBondContact O-N 3.38Å; T160-Q162 PolarHBondContact O-N 3.25Å; Q162-G166 PolarHBondContact O-N 3.22Å; Q162-C183 HydrophobicContact CB-CB 4.39Å; Q162-C183 HydrophobicContact CG-CB 4.15Å
163Y94.1Very high89.2Confident1 Ų147 Ų470%0.00426%0.261CS..Hα-helixtrans-60.9-44173.6173-114000112.2A19 C22 R23 L32 I157 A159 T160 L181 F207A19-Y163 HydrophobicContact CB-CE2 4.21Å; A19-Y163 WeakPolarHBondContact O-CE2 3.23Å; A19-Y163 PolarHBondContact O-OH 2.92Å; C22-Y163 WeakPolarHBondContact CB-OH 3.46Å; R23-Y163 HydrophobicContact CG-CD2 4.49Å; R23-Y163 HydrophobicContact CG-CE2 3.62Å; R23-Y163 PolarHBondContact NH1-O 2.57Å; L32-Y163 HydrophobicContact CD1-CD1 4.25Å; L32-Y163 HydrophobicContact CD1-CE1 3.59Å; L32-Y163 HydrophobicContact CD2-CE1 3.81Å; L32-Y163 HydrophobicContact CG-CE1 4.35Å; I157-Y163 HydrophobicContact CD1-CD1 3.86Å; I157-Y163 HydrophobicContact CD1-CE1 3.66Å; I157-Y163 HydrophobicContact CD1-CG 4.42Å; I157-Y163 HydrophobicContact CG2-CD1 4.09Å; I157-Y163 HydrophobicContact CG2-CD2 4.39Å; I157-Y163 HydrophobicContact CG2-CG 3.83Å; A159-Y163 PolarHBondContact O-N 3.39Å; A159-Y163 VanDerWaalsContact O-N 3.07Å; T160-Y163 WeakPolarHBondContact O-CB 3.36Å; T160-Y163 PolarHBondContact O-N 3.12Å; Y163-L181 HydrophobicContact CD2-CD2 4.27Å; Y163-F207 AromaticContact CD2-CE2 3.71Å; Y163-F207 HydrophobicContact CD2-CE2 3.71Å; Y163-F207 HydrophobicContact CD2-CZ 4.13Å; Y163-F207 AromaticContact CE2-CE2 3.82Å; Y163-F207 HydrophobicContact CE2-CE2 3.82Å; Y163-F207 AromaticContact CE2-CZ 3.81Å; Y163-F207 HydrophobicContact CE2-CZ 3.81Å
164I90Very high88.1Confident26 Ų2649.4 Ų49.413%0.13329%0.287CS..Hα-helixtrans-69.3-53.7178.9-67155.1000110.6R23 L32 K50 T160 S161 G166R23-I164 PolarHBondContact NH1-O 3.16Å; R23-I164 VanDerWaalsContact NH1-O 3.15Å; L32-I164 HydrophobicContact CD1-CG1 4.32Å; K50-I164 HydrophobicContact CB-CD1 4.21Å; K50-I164 HydrophobicContact CD-CD1 3.4Å; K50-I164 VanDerWaalsContact CD-CD1 3.4Å; K50-I164 HydrophobicContact CD-CG1 4.25Å; K50-I164 HydrophobicContact CG-CD1 3.65Å; K50-I164 HydrophobicContact CG-CG1 4.12Å; T160-I164 HydrophobicContact CG2-CD1 3.94Å; T160-I164 HydrophobicContact CG2-CG1 4.48Å; T160-I164 WeakPolarHBondContact O-CD1 3.23Å; T160-I164 VanDerWaalsContact O-CG1 3.24Å; T160-I164 WeakPolarHBondContact O-CG1 3.07Å; T160-I164 PolarHBondContact O-N 2.9Å; S161-I164 PolarHBondContact O-N 3.24Å; I164-G166 PolarHBondContact O-N 2.64Å
165E91.1Very high87.4Confident99 Ų9958.1 Ų58.146%0.46332%0.32SS..Hα-helixtrans-53.4-38.1178.9-79.1178.9-166.100111.5S161 R167S161-E165 WeakPolarHBondContact O-CB 3.39Å; S161-E165 VanDerWaalsContact O-CG 3.29Å; S161-E165 WeakPolarHBondContact O-CG 3.33Å; S161-E165 PolarHBondContact O-N 3.25Å; E165-R167 PolarHBondContact O-N 3.45Å; E165-R167 IonicContact OE2-CZ 2.83Å; E165-R167 IonicContact OE2-NE 2.69Å; E165-R167 PolarHBondContact OE2-NE 3.29Å; E165-R167 IonicContact OE2-NH2 2.82Å; E165-R167 PolarHBondContact OE2-NH2 2.85Å
166G91.8Very high87.1Confident10 Ų1059.6 Ų59.610%0.10333%0.328CS..  trans70.819.6167.600000114.9Q162 I164 E168Q162-G166 PolarHBondContact O-N 3.22Å; I164-G166 PolarHBondContact O-N 2.64Å; G166-E168 PolarHBondContact O-N 3.33Å
167R91.9Very high86.8Confident119 Ų11960 Ų6045%0.44933%0.331SS..  trans-62.6122.3179.2-73.2-173.1-78-179.2-1.6109.6E165 E169 G180 L181E165-R167 PolarHBondContact O-N 3.45Å; E165-R167 IonicContact OE2-CZ 2.83Å; E165-R167 IonicContact OE2-NE 2.69Å; E165-R167 PolarHBondContact OE2-NE 3.29Å; E165-R167 IonicContact OE2-NH2 2.82Å; E165-R167 PolarHBondContact OE2-NH2 2.85Å; R167-E169 PolarHBondContact O-N 2.87Å; R167-G180 CarbonylContact O-C 3.54Å; R167-G180 WeakPolarHBondContact O-CA 3.33Å; R167-L181 PolarHBondContact O-N 2.95Å
168E88.6Confident86.6Confident106 Ų10662.9 Ų62.950%0.49535%0.35SS..  trans-90.7102173.8-52.4-163.2158.700108.2G166 L181 K210 W215G166-E168 PolarHBondContact O-N 3.33Å; E168-L181 HydrophobicContact CG-CD1 4.26Å; E168-K210 IonicContact OE1-NZ 3.58Å; E168-K210 PolarHBondContact OE1-NZ 3.37Å; E168-K210 IonicContact OE2-NZ 2.65Å; E168-K210 PolarHBondContact OE2-NZ 3.27Å; E168-W215 HydrophobicContact CB-CZ2 4.28Å; E168-W215 HydrophobicContact CG-CZ2 3.94Å; E168-W215 PolarHBondContact OE1-NE1 3.37Å
169E76.1Confident86.5Confident56 Ų5663.3 Ų63.326%0.26235%0.353SS..  trans-90.8145.6173.6-67-167.9-165.700110.4R167 A171 P178 S179 Q182R167-E169 PolarHBondContact O-N 2.87Å; E169-A171 PolarHBondContact O-N 3.45Å; E169-P178 WeakPolarHBondContact OE2-CD 3.48Å; E169-S179 VanDerWaalsContact CD-O 3.22Å; E169-S179 WeakPolarHBondContact OE1-CB 3.46Å; E169-S179 PolarHBondContact OE1-OG 3.12Å; E169-Q182 PolarHBondContact O-NE2 2.9Å
170A69.9Low86.5Confident97 Ų9762.6 Ų62.680%0.80235%0.347SS*.  trans-71.997.3171.400000108.6V172A170-V172 PolarHBondContact O-N 2.78Å
171A70.2Confident86.7Confident52 Ų5261 Ų6143%0.4334%0.338SS..PPolyproline II helixtrans-60.6123.4175.700000109.8E169 Q182E169-A171 PolarHBondContact O-N 3.45Å; A171-Q182 HydrophobicContact CB-CG 4.28Å
172V76.9Confident86.9Confident82 Ų8258 Ų5850%0.49732%0.316SS..PPolyproline II helixtrans-98.2120.6174-179.20000108.2A170 G174 R175A170-V172 PolarHBondContact O-N 2.78Å; V172-G174 PolarHBondContact O-N 3.1Å; V172-R175 HydrophobicContact CB-CB 4.27Å; V172-R175 HydrophobicContact CB-CG 4.3Å; V172-R175 HydrophobicContact CG1-CG 4.04Å; V172-R175 PolarHBondContact O-N 3.46Å
173E75Confident87Confident197 Ų19757.6 Ų57.692%0.92131%0.314SS*.THydrogen-bonded Turntrans-54.8134.3179.8-171173.3-167.500111.5R175E173-R175 VanDerWaalsContact C-N 3.26Å; E173-R175 PolarHBondContact O-N 3.15Å
174G76.7Confident87.2Confident53 Ų5357.5 Ų57.555%0.54631%0.314SS..THydrogen-bonded Turntrans75.67.6-178.400000115V172V172-G174 PolarHBondContact O-N 3.1Å
175R84.1Confident87.6Confident182 Ų18256.3 Ų56.369%0.68731%0.307SS*.SBendtrans-120.7149171.2-56.8-169.3-173.4-145.22.9110.5V172 E173V172-R175 HydrophobicContact CB-CB 4.27Å; V172-R175 HydrophobicContact CB-CG 4.3Å; V172-R175 HydrophobicContact CG1-CG 4.04Å; V172-R175 PolarHBondContact O-N 3.46Å; E173-R175 VanDerWaalsContact C-N 3.26Å; E173-R175 PolarHBondContact O-N 3.15Å
176L90.6Very high87.9Confident32 Ų3251.7 Ų51.717%0.16829%0.286CS..  trans-74.6149.5170.469.699.9000110.6M277 A279 L293L176-M277 HydrophobicContact CD2-CB 3.62Å; L176-M277 HydrophobicContact CD2-CE 3.5Å; L176-M277 VanDerWaalsContact CD2-CE 3.5Å; L176-M277 HydrophobicContact CD2-CG 3.91Å; L176-M277 HydrophobicContact CD2-SD 3.28Å; L176-M277 WeakPolarHBondContact CD2-SD 3.22Å; L176-A279 HydrophobicContact CD1-CB 4.17Å; L176-L293 HydrophobicContact CB-CD1 4.44Å
177C91.8Very high88.2Confident10 Ų1051.2 Ų51.27%0.06828%0.281CS..  trans-93.7128.6171.9-59.10000108.7Q182 Y284C177-Q182 HydrophobicContact CB-CB 4.2Å; C177-Y284 HydrophobicContact CB-CE1 4.42Å; C177-Y284 WeakPolarHBondContact CB-OH 3.35Å; C177-Y284 PolarHBondContact N-OH 3.35Å; C177-Y284 WeakPolarHBondContact O-CE1 3.43Å
178P92.8Very high88.6Confident64 Ų6445.5 Ų45.542%0.41626%0.259SS..SBendtrans-72-31-18028.3-34.5000113E169 Y278 A279 S280E169-P178 WeakPolarHBondContact OE2-CD 3.48Å; P178-Y278 WeakPolarHBondContact CA-O 3.36Å; P178-A279 CarbonylContact O-C 3.55Å; P178-A279 WeakPolarHBondContact O-CA 3.42Å; P178-S280 PolarHBondContact O-N 3.16Å; P178-S280 PolarHBondContact O-OG 2.9Å
179S94.6Very high89.1Confident17 Ų1740.5 Ų40.512%0.11924%0.236CC..SBendtrans-156.5-177.7-17739.80000111.2E169E169-S179 VanDerWaalsContact CD-O 3.22Å; E169-S179 WeakPolarHBondContact OE1-CB 3.46Å; E169-S179 PolarHBondContact OE1-OG 3.12Å
180G94.4Very high90.1Very high0 Ų037.8 Ų37.80%022%0.223CC..SBendtrans94.9-179.3175.700000114.2R167 Q182 C183R167-G180 CarbonylContact O-C 3.54Å; R167-G180 WeakPolarHBondContact O-CA 3.33Å; G180-Q182 PolarHBondContact O-N 2.95Å; G180-C183 WeakPolarHBondContact O-CB 3.26Å; G180-C183 PolarHBondContact O-N 3.36Å
181L95.6Very high91.5Very high1 Ų133.6 Ų33.61%0.00519%0.187CC..G310 helixtrans-56.7-26.7-174.5-75.2176.4000113.5Y163 R167 E168 C183 A184 F207 W215Y163-L181 HydrophobicContact CD2-CD2 4.27Å; R167-L181 PolarHBondContact O-N 2.95Å; E168-L181 HydrophobicContact CG-CD1 4.26Å; L181-C183 PolarHBondContact O-N 3.28Å; L181-A184 PolarHBondContact O-N 2.89Å; L181-A184 VanDerWaalsContact O-N 3.08Å; L181-F207 HydrophobicContact CB-CB 3.73Å; L181-F207 HydrophobicContact CB-CD1 4.43Å; L181-F207 HydrophobicContact CB-CD2 4.11Å; L181-F207 HydrophobicContact CB-CG 3.85Å; L181-F207 HydrophobicContact CD1-CD1 4.13Å; L181-F207 HydrophobicContact CD1-CE1 4.45Å; L181-F207 HydrophobicContact CD1-CG 4.36Å; L181-F207 HydrophobicContact CD2-CD2 4.11Å; L181-F207 HydrophobicContact CD2-CE2 4.17Å; L181-F207 HydrophobicContact CD2-CG 4.39Å; L181-F207 HydrophobicContact CD2-CZ 4.48Å; L181-F207 HydrophobicContact CG-CG 4.44Å; L181-W215 HydrophobicContact CB-CH2 4.44Å; L181-W215 HydrophobicContact CB-CZ2 4.38Å; L181-W215 HydrophobicContact CD1-CZ2 3.84Å
182Q95.1Very high92.8Very high5 Ų532.7 Ų32.72%0.02318%0.175CC..G310 helixtrans-60.5-25.7174.4-68.983.5-6.400113.1E169 A171 C177 G180 A184 Q205 Y284E169-Q182 PolarHBondContact O-NE2 2.9Å; A171-Q182 HydrophobicContact CB-CG 4.28Å; C177-Q182 HydrophobicContact CB-CB 4.2Å; G180-Q182 PolarHBondContact O-N 2.95Å; Q182-A184 VanDerWaalsContact C-N 3.32Å; Q182-Q205 PolarHBondContact O-NE2 2.92Å; Q182-Y284 WeakPolarHBondContact O-CD2 3.12Å; Q182-Y284 WeakPolarHBondContact O-CE2 3.37Å
183C96.5Very high93.8Very high0 Ų033.7 Ų33.70%017%0.17CC..G310 helixtrans-81.2-13.2178.6-58.70000112.8A159 Q162 G180 L181 Y284A159-C183 HydrophobicContact CB-CB 4.46Å; A159-C183 WeakPolarHBondContact CB-O 3.14Å; Q162-C183 HydrophobicContact CB-CB 4.39Å; Q162-C183 HydrophobicContact CG-CB 4.15Å; G180-C183 WeakPolarHBondContact O-CB 3.26Å; G180-C183 PolarHBondContact O-N 3.36Å; L181-C183 PolarHBondContact O-N 3.28Å; C183-Y284 HydrophobicContact CB-CD1 4.27Å; C183-Y284 HydrophobicContact CB-CG 4.15Å
184A96.7Very high94.8Very high0 Ų028.8 Ų28.80%016%0.162CC..  trans-83.5124.6179.800000111.1I157 D158 L181 Q182 P206I157-A184 HydrophobicContact CG2-CB 4.29Å; D158-A184 VanDerWaalsContact O-CA 3.23Å; D158-A184 WeakPolarHBondContact O-CA 3.46Å; L181-A184 PolarHBondContact O-N 2.89Å; L181-A184 VanDerWaalsContact O-N 3.08Å; Q182-A184 VanDerWaalsContact C-N 3.32Å; A184-P206 VanDerWaalsContact O-CD 3.28Å; A184-P206 WeakPolarHBondContact O-CD 3.34Å
185L98.4Very high95.8Very high1 Ų129.6 Ų29.61%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-131.9153.6-173.1-55.5179.5000111.6I157 D158 L187 I203 N204 Q205 G283 Y284 L287I157-L185 CarbonylContact C-O 3.57Å; I157-L185 WeakPolarHBondContact CA-O 3.37Å; D158-L185 HydrophobicContact CB-CB 4.21Å; D158-L185 PolarHBondContact N-O 3.05Å; D158-L185 PolarHBondContact O-N 2.87Å; L185-L187 HydrophobicContact CB-CD2 3.74Å; L185-L187 HydrophobicContact CB-CG 4.43Å; L185-L187 HydrophobicContact CD1-CD2 3.99Å; L185-I203 HydrophobicContact CB-CG2 4.41Å; L185-I203 HydrophobicContact CD1-CG2 3.83Å; L185-I203 HydrophobicContact CD2-CG2 4.29Å; L185-I203 HydrophobicContact CG-CG2 4.43Å; L185-N204 CarbonylContact C-O 3.49Å; L185-N204 WeakPolarHBondContact CA-O 3.4Å; L185-Q205 HydrophobicContact CD2-CB 3.52Å; L185-Q205 HydrophobicContact CD2-CG 3.6Å; L185-G283 VanDerWaalsContact CD1-C 3.4Å; L185-Y284 VanDerWaalsContact CD1-N 3.29Å; L185-L287 HydrophobicContact CD1-CB 4.45Å; L185-L287 HydrophobicContact CD1-CD2 4.2Å; L185-L287 HydrophobicContact CD2-CD2 4.22Å
186V98.6Very high96.4Very high1 Ų120.9 Ų20.91%0.00612%0.124CC..EExtended strand (participates in β ladder)trans-97.6126.3161.5-1750000107.3A15 I61 P156 I188 I203 N204 P206A15-V186 HydrophobicContact CB-CG1 3.87Å; A15-V186 HydrophobicContact CB-CG2 3.98Å; I61-V186 HydrophobicContact CD1-CG1 4.35Å; P156-V186 WeakPolarHBondContact O-CG2 3.39Å; V186-I188 HydrophobicContact CG1-CG1 4.44Å; V186-I203 WeakPolarHBondContact O-CA 3.29Å; V186-N204 HydrophobicContact CB-CB 4.19Å; V186-N204 PolarHBondContact N-O 3.49Å; V186-N204 PolarHBondContact O-N 2.86Å; V186-P206 HydrophobicContact CG2-CG 4.12Å
187L98.9Very high96.7Very high0 Ų022.1 Ų22.10%013%0.129CC..EExtended strand (participates in β ladder)trans-117.4129.5179.1-41.1174000110.2D155 D158 L185 I203 D308 P312D155-L187 HydrophobicContact CB-CB 3.88Å; D155-L187 HydrophobicContact CB-CD1 4Å; D155-L187 HydrophobicContact CB-CG 4.06Å; D155-L187 PolarHBondContact N-O 3.3Å; D155-L187 PolarHBondContact O-N 2.77Å; D158-L187 HydrophobicContact CB-CD1 3.91Å; D158-L187 HydrophobicContact CB-CG 4.18Å; L185-L187 HydrophobicContact CB-CD2 3.74Å; L185-L187 HydrophobicContact CB-CG 4.43Å; L185-L187 HydrophobicContact CD1-CD2 3.99Å; L187-I203 HydrophobicContact CD2-CB 4.38Å; L187-I203 HydrophobicContact CD2-CG1 4.07Å; L187-I203 HydrophobicContact CD2-CG2 3.93Å; L187-D308 WeakPolarHBondContact CD1-O 3.32Å; L187-P312 HydrophobicContact CD1-CG 4.24Å; L187-P312 HydrophobicContact CD2-CG 4.11Å
188I98.9Very high97Very high0 Ų021.7 Ų21.70%013%0.126CC..EExtended strand (participates in β ladder)trans-129.6116.8173.4-48.9176.9000107.9L8 V11 A12 I61 I152 V186 G201 V202L8-I188 HydrophobicContact CD1-CG2 4.26Å; L8-I188 HydrophobicContact CD2-CG2 4.01Å; V11-I188 HydrophobicContact CG2-CD1 3.95Å; A12-I188 HydrophobicContact CB-CD1 3.9Å; I61-I188 HydrophobicContact CD1-CD1 3.89Å; I61-I188 HydrophobicContact CD1-CG1 4.28Å; I61-I188 HydrophobicContact CG1-CD1 4.36Å; I61-I188 HydrophobicContact CG2-CD1 4.16Å; I152-I188 HydrophobicContact CG2-CG2 3.71Å; V186-I188 HydrophobicContact CG1-CG1 4.44Å; I188-G201 CarbonylContact O-C 3.58Å; I188-G201 VanDerWaalsContact O-CA 3.3Å; I188-G201 WeakPolarHBondContact O-CA 3.49Å; I188-V202 HydrophobicContact CB-CB 4.46Å; I188-V202 PolarHBondContact N-O 2.89Å; I188-V202 PolarHBondContact O-N 3.35Å
189G98.8Very high97.3Very high0 Ų018.7 Ų18.70%011%0.106CC..EExtended strand (participates in β ladder)trans-114.2138.1177.600000111.9I152 W153 G311I152-G189 CarbonylContact C-O 3.52Å; I152-G189 VanDerWaalsContact CA-O 3.23Å; I152-G189 WeakPolarHBondContact CA-O 3.35Å; I152-G189 WeakPolarHBondContact CG2-O 3.39Å; W153-G189 PolarHBondContact N-O 3.4Å; W153-G189 PolarHBondContact O-N 2.99Å; G189-G311 VanDerWaalsContact CA-CA 3.41Å
190V98.8Very high97.4Very high0 Ų017.9 Ų17.90%010%0.101CC..EExtended strand (participates in β ladder)trans-116.1131.1175.1-170.20000108.5L4 L8 L150 G151 I152 V199 M200L4-V190 HydrophobicContact CD2-CG1 4.4Å; L4-V190 HydrophobicContact CD2-CG2 4.48Å; L8-V190 HydrophobicContact CD1-CG2 3.44Å; L8-V190 VanDerWaalsContact CD1-CG2 3.44Å; L150-V190 HydrophobicContact CB-CG1 3.94Å; L150-V190 HydrophobicContact CD1-CG1 4.06Å; L150-V190 HydrophobicContact CD2-CG1 4Å; L150-V190 HydrophobicContact CG-CG1 4.2Å; G151-V190 VanDerWaalsContact O-CA 3.31Å; G151-V190 WeakPolarHBondContact O-CA 3.46Å; I152-V190 HydrophobicContact CG1-CG2 4.3Å; V190-V199 HydrophobicContact CB-CG2 4.49Å; V190-V199 HydrophobicContact CG1-CG2 4.25Å; V190-V199 WeakPolarHBondContact O-CG2 3.36Å; V190-V199 PolarHBondContact O-N 2.8Å; V190-M200 HydrophobicContact CB-CB 3.96Å; V190-M200 HydrophobicContact CG2-CB 4.08Å; V190-M200 HydrophobicContact CG2-CG 4.2Å; V190-M200 HydrophobicContact CG2-SD 4.19Å; V190-M200 PolarHBondContact N-O 3.14Å; V190-M200 PolarHBondContact O-N 3.42Å
191Y98.6Very high97.6Very high9 Ų917.9 Ų17.94%0.03510%0.101CC..EExtended strand (participates in β ladder)trans-131.1157.4-179.370-84.5000112L150 G151 W153 R193 E197 H351L150-Y191 WeakPolarHBondContact CA-O 3.5Å; G151-Y191 VanDerWaalsContact C-CE1 3.47Å; G151-Y191 PolarHBondContact N-O 3.29Å; G151-Y191 WeakPolarHBondContact O-CD1 3.5Å; G151-Y191 PolarHBondContact O-N 2.89Å; W153-Y191 AromaticContact CD1-CD1 3.57Å; W153-Y191 AromaticContact CD1-CE1 3.38Å; W153-Y191 HydrophobicContact CG-CE1 4.28Å; W153-Y191 AromaticContact NE1-CD1 3.95Å; W153-Y191 AromaticContact NE1-CE1 3.39Å; W153-Y191 AromaticContact NE1-CZ 3.92Å; Y191-R193 HydrophobicContact CE2-CG 4.42Å; Y191-E197 CarbonylContact C-O 3.51Å; Y191-E197 WeakPolarHBondContact CA-O 3.16Å; Y191-E197 WeakPolarHBondContact CB-O 3.5Å; Y191-H351 HydrophobicContact CD2-CB 4.29Å; Y191-H351 HydrophobicContact CE2-CB 3.85Å
192L97.9Very high97.8Very high33 Ų3317.9 Ų17.917%0.17310%0.101CC..EExtended strand (participates in β ladder)trans-75.9122.7171.4-75.1171000110L145 D149 L150 A194 T195 G196 E197 V199L145-L192 HydrophobicContact CD2-CD2 3.81Å; D149-L192 HydrophobicContact CB-CD2 4.43Å; L150-L192 HydrophobicContact CD2-CD2 4.09Å; L192-A194 VanDerWaalsContact C-N 3.26Å; L192-A194 PolarHBondContact O-N 3.44Å; L192-T195 WeakPolarHBondContact CB-OG1 3.43Å; L192-T195 PolarHBondContact O-N 2.89Å; L192-G196 WeakPolarHBondContact O-CA 3.36Å; L192-G196 PolarHBondContact O-N 3.48Å; L192-E197 HydrophobicContact CD1-CB 4.36Å; L192-E197 PolarHBondContact N-O 3.05Å; L192-V199 HydrophobicContact CD1-CG1 3.78Å; L192-V199 HydrophobicContact CG-CG1 3.68Å
193R97.6Very high97.9Very high103 Ų10317.6 Ų17.639%0.38910%0.099SC..THydrogen-bonded Turntrans-63.6-33.2-178.9-67.4172.258-153.52.6113.1H75 S148 D149 L150 Y191H75-R193 PolarHBondContact CD2-NH1 2.96Å; H75-R193 VanDerWaalsContact CE1-CZ 3.49Å; H75-R193 PolarHBondContact CE1-NH2 2.82Å; H75-R193 PolarHBondContact NE2-NH1 2.99Å; H75-R193 PolarHBondContact NE2-NH2 3.43Å; S148-R193 PolarHBondContact O-NH1 3.44Å; D149-R193 WeakPolarHBondContact O-CG 3.28Å; D149-R193 PolarHBondContact O-N 2.97Å; L150-R193 WeakPolarHBondContact O-CD 3.29Å; Y191-R193 HydrophobicContact CE2-CG 4.42Å
194A96.4Very high98Very high93 Ų9317.6 Ų17.677%0.76910%0.099SC*.THydrogen-bonded Turntrans-72.1-31.2-17700000113.4L192L192-A194 VanDerWaalsContact C-N 3.26Å; L192-A194 PolarHBondContact O-N 3.44Å
195T96.1Very high98Very high70 Ų7018 Ų1843%0.42910%0.101SC..THydrogen-bonded Turntrans-120.2-19.4-172.662.20000113.4L192 E197 H351L192-T195 WeakPolarHBondContact CB-OG1 3.43Å; L192-T195 PolarHBondContact O-N 2.89Å; T195-E197 PolarHBondContact O-N 2.89Å; T195-E197 WeakPolarHBondContact OG1-CB 3.25Å; T195-E197 PolarHBondContact OG1-N 3.46Å; T195-H351 PolarHBondContact O-CE1 2.8Å; T195-H351 VanDerWaalsContact O-CE1 3.25Å
196G97.4Very high97.9Very high0 Ų018.2 Ų18.20%010%0.102CC..  trans72.79-168.900000114.8L192 T349 Y350 H351L192-G196 WeakPolarHBondContact O-CA 3.36Å; L192-G196 PolarHBondContact O-N 3.48Å; G196-T349 WeakPolarHBondContact O-CA 3.35Å; G196-Y350 VanDerWaalsContact O-CD2 3.29Å; G196-Y350 WeakPolarHBondContact O-CD2 3.23Å; G196-Y350 PolarHBondContact O-N 2.9Å; G196-H351 VanDerWaalsContact CA-CG 3.49Å; G196-H351 VanDerWaalsContact CA-ND1 3.27Å; G196-H351 WeakPolarHBondContact CA-ND1 3.46Å; G196-H351 PolarHBondContact N-ND1 2.93Å
197E97.4Very high97.8Very high58 Ų5818.2 Ų18.227%0.27110%0.103SC..  trans-70.1128.8179.9-178.1-175.4172.900110.8Y191 L192 T195 V199 R317Y191-E197 CarbonylContact C-O 3.51Å; Y191-E197 WeakPolarHBondContact CA-O 3.16Å; Y191-E197 WeakPolarHBondContact CB-O 3.5Å; L192-E197 HydrophobicContact CD1-CB 4.36Å; L192-E197 PolarHBondContact N-O 3.05Å; T195-E197 PolarHBondContact O-N 2.89Å; T195-E197 WeakPolarHBondContact OG1-CB 3.25Å; T195-E197 PolarHBondContact OG1-N 3.46Å; E197-V199 HydrophobicContact CG-CG1 4.41Å; E197-V199 PolarHBondContact O-N 3.27Å; E197-R317 IonicContact OE1-CZ 3.04Å; E197-R317 IonicContact OE1-NE 2.64Å; E197-R317 IonicContact OE1-NH2 2.67Å; E197-R317 PolarHBondContact OE1-NH2 3Å
198P98.2Very high97.5Very high1 Ų120.6 Ų20.61%0.00612%0.115CC..EExtended strand (participates in β ladder)trans-76.1124.7173.833-33.8000110.3H313 A314 Y350P198-H313 HydrophobicContact CG-CB 4.16Å; P198-A314 HydrophobicContact CB-CB 4.19Å; P198-Y350 HydrophobicContact CB-CD2 3.94Å; P198-Y350 HydrophobicContact CB-CE2 3.81Å; P198-Y350 HydrophobicContact CG-CD2 4Å; P198-Y350 HydrophobicContact CG-CE2 3.56Å
199V98Very high97.1Very high0 Ų025.9 Ų25.90%014%0.14CC..EExtended strand (participates in β ladder)trans-116.2-23-170.5-69.40000114.3L145 L150 V190 L192 E197 V223 S224 C225L145-V199 HydrophobicContact CD1-CB 4.17Å; L145-V199 HydrophobicContact CD1-CG2 3.84Å; L150-V199 HydrophobicContact CD2-CG2 3.95Å; V190-V199 HydrophobicContact CB-CG2 4.49Å; V190-V199 HydrophobicContact CG1-CG2 4.25Å; V190-V199 WeakPolarHBondContact O-CG2 3.36Å; V190-V199 PolarHBondContact O-N 2.8Å; L192-V199 HydrophobicContact CD1-CG1 3.78Å; L192-V199 HydrophobicContact CG-CG1 3.68Å; E197-V199 HydrophobicContact CG-CG1 4.41Å; E197-V199 PolarHBondContact O-N 3.27Å; V199-V223 WeakPolarHBondContact O-CA 3.42Å; V199-S224 WeakPolarHBondContact CA-O 3.32Å; V199-S224 PolarHBondContact O-N 3.34Å; V199-C225 HydrophobicContact CB-CB 4.4Å; V199-C225 HydrophobicContact CG1-CB 4.44Å
200M98.1Very high96.7Very high1 Ų130.4 Ų30.41%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-149.8144.9178.3173.4-171.2-54.800109.6M1 L4 L5 L8 I143 V190 G222 V223M1-M200 HydrophobicContact CB-CE 4.49Å; L4-M200 HydrophobicContact CD2-SD 4.36Å; L4-M200 HydrophobicContact CG-SD 4.33Å; L5-M200 HydrophobicContact CB-CE 3.93Å; L5-M200 HydrophobicContact CB-SD 3.74Å; L5-M200 HydrophobicContact CD1-CG 4.03Å; L5-M200 HydrophobicContact CD1-SD 3.96Å; L5-M200 HydrophobicContact CG-SD 4.43Å; L8-M200 HydrophobicContact CD1-SD 3.84Å; I143-M200 HydrophobicContact CD1-CE 3.84Å; V190-M200 HydrophobicContact CB-CB 3.96Å; V190-M200 HydrophobicContact CG2-CB 4.08Å; V190-M200 HydrophobicContact CG2-CG 4.2Å; V190-M200 HydrophobicContact CG2-SD 4.19Å; V190-M200 PolarHBondContact N-O 3.14Å; V190-M200 PolarHBondContact O-N 3.42Å; M200-G222 CarbonylContact C-O 3.56Å; M200-G222 VanDerWaalsContact CA-O 3.29Å; M200-G222 WeakPolarHBondContact CA-O 3.48Å; M200-V223 HydrophobicContact CB-CG2 4.42Å; M200-V223 HydrophobicContact CE-CG2 4.27Å; M200-V223 HydrophobicContact CG-CG2 4.15Å
201G98.4Very high96.1Very high0 Ų032.8 Ų32.80%017%0.172CC..EExtended strand (participates in β ladder)trans-149.9150177.800000112.5I188 W221 G222 L315I188-G201 CarbonylContact O-C 3.58Å; I188-G201 VanDerWaalsContact O-CA 3.3Å; I188-G201 WeakPolarHBondContact O-CA 3.49Å; G201-W221 VanDerWaalsContact O-CA 3.24Å; G201-W221 WeakPolarHBondContact O-CA 3.4Å; G201-G222 PolarHBondContact N-O 3.16Å; G201-G222 PolarHBondContact O-N 2.81Å; G201-L315 WeakPolarHBondContact O-CD1 3.43Å
202V98.6Very high95.7Very high0 Ų039.1 Ų39.10%021%0.214CC..EExtended strand (participates in β ladder)trans-128.3132171.3179.90000108.4L5 L8 L9 A12 I188 F220 W221L5-V202 HydrophobicContact CD1-CG2 4.12Å; L8-V202 HydrophobicContact CB-CG2 3.78Å; L9-V202 HydrophobicContact CD2-CG1 4.02Å; L9-V202 HydrophobicContact CD2-CG2 4.26Å; L9-V202 HydrophobicContact CG-CG2 4.4Å; A12-V202 HydrophobicContact CB-CG1 3.63Å; I188-V202 HydrophobicContact CB-CB 4.46Å; I188-V202 PolarHBondContact N-O 2.89Å; I188-V202 PolarHBondContact O-N 3.35Å; V202-F220 CarbonylContact C-O 3.53Å; V202-F220 WeakPolarHBondContact CA-O 3.47Å; V202-W221 HydrophobicContact CG2-CB 4.3Å
203I98.7Very high95.1Very high0 Ų042.6 Ų42.60%024%0.237CC..EExtended strand (participates in β ladder)trans-116.6122.2168.2-58.2177.7000106.4L185 V186 L187 H219 F220 L287 I290 P312 L315L185-I203 HydrophobicContact CB-CG2 4.41Å; L185-I203 HydrophobicContact CD1-CG2 3.83Å; L185-I203 HydrophobicContact CD2-CG2 4.29Å; L185-I203 HydrophobicContact CG-CG2 4.43Å; V186-I203 WeakPolarHBondContact O-CA 3.29Å; L187-I203 HydrophobicContact CD2-CB 4.38Å; L187-I203 HydrophobicContact CD2-CG1 4.07Å; L187-I203 HydrophobicContact CD2-CG2 3.93Å; I203-H219 CarbonylContact O-C 3.4Å; I203-H219 VanDerWaalsContact O-CA 3.28Å; I203-H219 WeakPolarHBondContact O-CA 3.39Å; I203-F220 HydrophobicContact CB-CB 4.35Å; I203-F220 HydrophobicContact CB-CD2 4.33Å; I203-F220 HydrophobicContact CG2-CD2 4.3Å; I203-F220 PolarHBondContact N-O 3.04Å; I203-F220 PolarHBondContact O-N 2.9Å; I203-L287 HydrophobicContact CD1-CB 4.47Å; I203-L287 HydrophobicContact CD1-CD1 4.14Å; I203-L287 HydrophobicContact CG2-CD2 4.3Å; I203-I290 HydrophobicContact CD1-CD1 3.85Å; I203-P312 HydrophobicContact CD1-CB 3.95Å; I203-P312 HydrophobicContact CD1-CG 3.83Å; I203-P312 HydrophobicContact CG1-CG 4.15Å; I203-L315 HydrophobicContact CD1-CD2 3.97Å; I203-L315 HydrophobicContact CG1-CD1 4.4Å; I203-L315 HydrophobicContact CG1-CD2 4.26Å
204N98Very high94.7Very high0 Ų038.5 Ų38.50%023%0.227CC..EExtended strand (participates in β ladder)trans-110.8128.3167.9-164.5-45.4000109.2A12 E13 A16 L185 V186 P206 H219A12-N204 HydrophobicContact CB-CB 4.03Å; A12-N204 PolarHBondContact O-ND2 3.48Å; E13-N204 WeakPolarHBondContact CA-ND2 3.15Å; E13-N204 PolarHBondContact N-ND2 3.17Å; E13-N204 PolarHBondContact OE2-ND2 3.17Å; A16-N204 WeakPolarHBondContact CB-OD1 3.06Å; L185-N204 CarbonylContact C-O 3.49Å; L185-N204 WeakPolarHBondContact CA-O 3.4Å; V186-N204 HydrophobicContact CB-CB 4.19Å; V186-N204 PolarHBondContact N-O 3.49Å; V186-N204 PolarHBondContact O-N 2.86Å; N204-P206 WeakPolarHBondContact O-CD 3.5Å; N204-H219 HydrophobicContact CB-CB 4.49Å
205Q97.1Very high94.5Very high9 Ų935.5 Ų35.54%0.04220%0.196CC..EExtended strand (participates in β ladder)trans-101.898.3172.4-174.1177.232.100108Q182 L185 F207 N208 G217 K218Q182-Q205 PolarHBondContact O-NE2 2.92Å; L185-Q205 HydrophobicContact CD2-CB 3.52Å; L185-Q205 HydrophobicContact CD2-CG 3.6Å; Q205-F207 PolarHBondContact O-N 2.9Å; Q205-N208 HydrophobicContact CB-CB 4.48Å; Q205-N208 HydrophobicContact CG-CB 4.15Å; Q205-N208 PolarHBondContact OE1-ND2 2.82Å; Q205-G217 CarbonylContact O-C 3.53Å; Q205-G217 WeakPolarHBondContact O-CA 3.41Å; Q205-K218 PolarHBondContact N-O 2.81Å; Q205-K218 PolarHBondContact O-N 3.14Å
206P96.1Very high94.3Very high4 Ų436.7 Ų36.73%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-64.5-29.8-172.6-2234.8000113A16 A19 R20 A184 V186 N204 G217A16-P206 HydrophobicContact CB-CB 3.74Å; A16-P206 HydrophobicContact CB-CG 3.73Å; A19-P206 HydrophobicContact CB-CG 4.45Å; R20-P206 HydrophobicContact CG-CB 4.34Å; R20-P206 PolarHBondContact NH1-O 3.12Å; A184-P206 VanDerWaalsContact O-CD 3.28Å; A184-P206 WeakPolarHBondContact O-CD 3.34Å; V186-P206 HydrophobicContact CG2-CG 4.12Å; N204-P206 WeakPolarHBondContact O-CD 3.5Å; P206-G217 WeakPolarHBondContact O-CA 3.41Å
207F95.6Very high94Very high2 Ų238 Ų381%0.00921%0.209CC..EExtended strand (participates in β ladder)trans-115.458-174.7-51.7-78.8000111R20 R23 Y163 L181 Q205 W215R20-F207 HydrophobicContact CG-CD1 4.32Å; R20-F207 HydrophobicContact CG-CE1 3.74Å; R20-F207 HydrophobicContact CG-CZ 4.07Å; R23-F207 HydrophobicContact CG-CZ 4.46Å; Y163-F207 AromaticContact CD2-CE2 3.71Å; Y163-F207 HydrophobicContact CD2-CE2 3.71Å; Y163-F207 HydrophobicContact CD2-CZ 4.13Å; Y163-F207 AromaticContact CE2-CE2 3.82Å; Y163-F207 HydrophobicContact CE2-CE2 3.82Å; Y163-F207 AromaticContact CE2-CZ 3.81Å; Y163-F207 HydrophobicContact CE2-CZ 3.81Å; L181-F207 HydrophobicContact CB-CB 3.73Å; L181-F207 HydrophobicContact CB-CD1 4.43Å; L181-F207 HydrophobicContact CB-CD2 4.11Å; L181-F207 HydrophobicContact CB-CG 3.85Å; L181-F207 HydrophobicContact CD1-CD1 4.13Å; L181-F207 HydrophobicContact CD1-CE1 4.45Å; L181-F207 HydrophobicContact CD1-CG 4.36Å; L181-F207 HydrophobicContact CD2-CD2 4.11Å; L181-F207 HydrophobicContact CD2-CE2 4.17Å; L181-F207 HydrophobicContact CD2-CG 4.39Å; L181-F207 HydrophobicContact CD2-CZ 4.48Å; L181-F207 HydrophobicContact CG-CG 4.44Å; Q205-F207 PolarHBondContact O-N 2.9Å; F207-W215 VanDerWaalsContact CA-CE3 3.44Å; F207-W215 HydrophobicContact CB-CD2 3.96Å; F207-W215 HydrophobicContact CB-CE3 3.63Å; F207-W215 HydrophobicContact CB-CH2 4.21Å; F207-W215 HydrophobicContact CB-CZ3 3.76Å; F207-W215 HydrophobicContact CD1-CB 4.02Å; F207-W215 AromaticContact CD1-CD1 3.78Å; F207-W215 AromaticContact CD1-CD2 3.68Å; F207-W215 HydrophobicContact CD1-CD2 3.68Å; F207-W215 AromaticContact CD1-CE2 3.93Å; F207-W215 HydrophobicContact CD1-CE3 4.23Å; F207-W215 AromaticContact CD1-CG 3.58Å; F207-W215 HydrophobicContact CD1-CG 3.58Å; F207-W215 AromaticContact CD1-NE1 3.99Å; F207-W215 HydrophobicContact CE1-CG 4.28Å; F207-W215 HydrophobicContact CG-CD2 4.32Å; F207-W215 HydrophobicContact CG-CE3 4.46Å; F207-W215 VanDerWaalsContact O-CZ3 3.3Å; F207-W215 WeakPolarHBondContact O-CZ3 3.18Å
208N93.1Very high93.9Very high49 Ų4940 Ų4026%0.26222%0.216SC..EExtended strand (participates in β ladder)trans-78.4-51.9-178.5175.1-98.5000112.4Q205 K216 K218Q205-N208 HydrophobicContact CB-CB 4.48Å; Q205-N208 HydrophobicContact CG-CB 4.15Å; Q205-N208 PolarHBondContact OE1-ND2 2.82Å; N208-K216 WeakPolarHBondContact CB-O 3.34Å; N208-K216 PolarHBondContact N-O 3.23Å; N208-K216 VanDerWaalsContact N-O 3.07Å; N208-K218 HydrophobicContact CB-CB 3.72Å
209H89.9Confident93.6Very high111 Ų11142.5 Ų42.551%0.51423%0.228SC..EExtended strand (participates in β ladder)trans-138.5143.4179.818071.4000110.2K216H209-K216 PolarHBondContact N-O 3.13Å; H209-K216 PolarHBondContact O-N 2.82Å
210K89.7Confident93.6Very high96 Ų9642.8 Ų42.842%0.41723%0.229SC..EExtended strand (participates in β ladder)trans-113.5117.8177.2-167.8178.1-178.6175.70109.5E168 W215E168-K210 IonicContact OE1-NZ 3.58Å; E168-K210 PolarHBondContact OE1-NZ 3.37Å; E168-K210 IonicContact OE2-NZ 2.65Å; E168-K210 PolarHBondContact OE2-NZ 3.27Å; K210-W215 HydrophobicContact CB-CD2 3.88Å; K210-W215 HydrophobicContact CB-CE3 3.81Å; K210-W215 HydrophobicContact CB-CH2 4.21Å; K210-W215 HydrophobicContact CB-CZ2 4.24Å; K210-W215 HydrophobicContact CB-CZ3 3.99Å; K210-W215 HydrophobicContact CD-CD2 4.26Å; K210-W215 HydrophobicContact CD-CZ2 4Å; K210-W215 HydrophobicContact CG-CD2 4.1Å; K210-W215 HydrophobicContact CG-CG 4.35Å
211D87.8Confident93.6Very high49 Ų4943.2 Ų43.226%0.26223%0.231SC..EExtended strand (participates in β ladder)trans-107.9177.4172.473.427.9000110T213 G214 K216D211-T213 PolarHBondContact O-N 3.46Å; D211-T213 VanDerWaalsContact O-N 3.1Å; D211-T213 VanDerWaalsContact OD1-CA 3.24Å; D211-T213 WeakPolarHBondContact OD1-CA 3.29Å; D211-T213 VanDerWaalsContact OD1-CB 3.28Å; D211-T213 WeakPolarHBondContact OD1-CB 3.5Å; D211-T213 PolarHBondContact OD1-N 3.21Å; D211-T213 PolarHBondContact OD1-OG1 3.14Å; D211-T213 PolarHBondContact OD2-OG1 3.49Å; D211-G214 PolarHBondContact N-O 3.22Å; D211-G214 PolarHBondContact O-N 3.26Å; D211-G214 PolarHBondContact OD1-N 3.14Å; D211-K216 WeakPolarHBondContact OD2-CE 3.28Å
212P88.7Confident93.5Very high142 Ų14243.2 Ų43.292%0.92223%0.231SC*.THydrogen-bonded Turntrans-59.5-18.9178.5-26.636.4000115.2
213T86.8Confident93.4Very high107 Ų10743.2 Ų43.266%0.65623%0.231SC*.THydrogen-bonded Turntrans-88.9-5.7175.975.10000113D211 K216D211-T213 PolarHBondContact O-N 3.46Å; D211-T213 VanDerWaalsContact O-N 3.1Å; D211-T213 VanDerWaalsContact OD1-CA 3.24Å; D211-T213 WeakPolarHBondContact OD1-CA 3.29Å; D211-T213 VanDerWaalsContact OD1-CB 3.28Å; D211-T213 WeakPolarHBondContact OD1-CB 3.5Å; D211-T213 PolarHBondContact OD1-N 3.21Å; D211-T213 PolarHBondContact OD1-OG1 3.14Å; D211-T213 PolarHBondContact OD2-OG1 3.49Å; T213-K216 VanDerWaalsContact OG1-CE 3.29Å; T213-K216 WeakPolarHBondContact OG1-CE 3.42Å; T213-K216 PolarHBondContact OG1-NZ 3.36Å
214G89.2Confident93.3Very high17 Ų1743.5 Ų43.518%0.17523%0.232CC..EExtended strand (participates in β ladder)trans119-163.2176.500000113.3D211D211-G214 PolarHBondContact N-O 3.22Å; D211-G214 PolarHBondContact O-N 3.26Å; D211-G214 PolarHBondContact OD1-N 3.14Å
215W92.5Very high93Very high29 Ų2944 Ų4411%0.1124%0.236CC..EExtended strand (participates in β ladder)trans-73.7132.4179.9-75104.5000111.7E168 L181 F207 K210E168-W215 HydrophobicContact CB-CZ2 4.28Å; E168-W215 HydrophobicContact CG-CZ2 3.94Å; E168-W215 PolarHBondContact OE1-NE1 3.37Å; L181-W215 HydrophobicContact CB-CH2 4.44Å; L181-W215 HydrophobicContact CB-CZ2 4.38Å; L181-W215 HydrophobicContact CD1-CZ2 3.84Å; F207-W215 VanDerWaalsContact CA-CE3 3.44Å; F207-W215 HydrophobicContact CB-CD2 3.96Å; F207-W215 HydrophobicContact CB-CE3 3.63Å; F207-W215 HydrophobicContact CB-CH2 4.21Å; F207-W215 HydrophobicContact CB-CZ3 3.76Å; F207-W215 HydrophobicContact CD1-CB 4.02Å; F207-W215 AromaticContact CD1-CD1 3.78Å; F207-W215 AromaticContact CD1-CD2 3.68Å; F207-W215 HydrophobicContact CD1-CD2 3.68Å; F207-W215 AromaticContact CD1-CE2 3.93Å; F207-W215 HydrophobicContact CD1-CE3 4.23Å; F207-W215 AromaticContact CD1-CG 3.58Å; F207-W215 HydrophobicContact CD1-CG 3.58Å; F207-W215 AromaticContact CD1-NE1 3.99Å; F207-W215 HydrophobicContact CE1-CG 4.28Å; F207-W215 HydrophobicContact CG-CD2 4.32Å; F207-W215 HydrophobicContact CG-CE3 4.46Å; F207-W215 VanDerWaalsContact O-CZ3 3.3Å; F207-W215 WeakPolarHBondContact O-CZ3 3.18Å; K210-W215 HydrophobicContact CB-CD2 3.88Å; K210-W215 HydrophobicContact CB-CE3 3.81Å; K210-W215 HydrophobicContact CB-CH2 4.21Å; K210-W215 HydrophobicContact CB-CZ2 4.24Å; K210-W215 HydrophobicContact CB-CZ3 3.99Å; K210-W215 HydrophobicContact CD-CD2 4.26Å; K210-W215 HydrophobicContact CD-CZ2 4Å; K210-W215 HydrophobicContact CG-CD2 4.1Å; K210-W215 HydrophobicContact CG-CG 4.35Å
216K90.8Very high92.5Very high95 Ų9547 Ų4741%0.41327%0.27SS..EExtended strand (participates in β ladder)trans-107.2132.3169-56.5-58.9178.7-168.70109N208 H209 D211 T213N208-K216 WeakPolarHBondContact CB-O 3.34Å; N208-K216 PolarHBondContact N-O 3.23Å; N208-K216 VanDerWaalsContact N-O 3.07Å; H209-K216 PolarHBondContact N-O 3.13Å; H209-K216 PolarHBondContact O-N 2.82Å; D211-K216 WeakPolarHBondContact OD2-CE 3.28Å; T213-K216 VanDerWaalsContact OG1-CE 3.29Å; T213-K216 WeakPolarHBondContact OG1-CE 3.42Å; T213-K216 PolarHBondContact OG1-NZ 3.36Å
217G92.4Very high92Very high28 Ų2852.8 Ų52.829%0.28931%0.31SS..EExtended strand (participates in β ladder)trans-84.3167.1175.300000112.5Q205 P206Q205-G217 CarbonylContact O-C 3.53Å; Q205-G217 WeakPolarHBondContact O-CA 3.41Å; P206-G217 WeakPolarHBondContact O-CA 3.41Å
218K93.7Very high91.9Very high99 Ų9953.9 Ų53.943%0.4332%0.317SS..EExtended strand (participates in β ladder)trans-140.7132.5170-173170.4-177.1177.80109.2Q205 N208 F220Q205-K218 PolarHBondContact N-O 2.81Å; Q205-K218 PolarHBondContact O-N 3.14Å; N208-K218 HydrophobicContact CB-CB 3.72Å; K218-F220 HydrophobicContact CB-CE2 4.47Å; K218-F220 HydrophobicContact CB-CZ 4.46Å; K218-F220 HydrophobicContact CD-CE1 4Å; K218-F220 HydrophobicContact CD-CE2 4.36Å; K218-F220 HydrophobicContact CD-CZ 3.57Å; K218-F220 HydrophobicContact CG-CE1 4.17Å; K218-F220 HydrophobicContact CG-CE2 4.08Å; K218-F220 HydrophobicContact CG-CZ 3.72Å
219H93.5Very high91.9Very high54 Ų5456.6 Ų56.625%0.2533%0.326CS..EExtended strand (participates in β ladder)trans-110.7153177.358.3-95000111.3L9 I203 N204L9-H219 HydrophobicContact CD2-CB 4.45Å; I203-H219 CarbonylContact O-C 3.4Å; I203-H219 VanDerWaalsContact O-CA 3.28Å; I203-H219 WeakPolarHBondContact O-CA 3.39Å; N204-H219 HydrophobicContact CB-CB 4.49Å
220F96.5Very high92.1Very high6 Ų652.2 Ų52.23%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-134.6144.8176.7-50.3-86.7000108.4V202 I203 K218 S232 V233 L287 L291 L315V202-F220 CarbonylContact C-O 3.53Å; V202-F220 WeakPolarHBondContact CA-O 3.47Å; I203-F220 HydrophobicContact CB-CB 4.35Å; I203-F220 HydrophobicContact CB-CD2 4.33Å; I203-F220 HydrophobicContact CG2-CD2 4.3Å; I203-F220 PolarHBondContact N-O 3.04Å; I203-F220 PolarHBondContact O-N 2.9Å; K218-F220 HydrophobicContact CB-CE2 4.47Å; K218-F220 HydrophobicContact CB-CZ 4.46Å; K218-F220 HydrophobicContact CD-CE1 4Å; K218-F220 HydrophobicContact CD-CE2 4.36Å; K218-F220 HydrophobicContact CD-CZ 3.57Å; K218-F220 HydrophobicContact CG-CE1 4.17Å; K218-F220 HydrophobicContact CG-CE2 4.08Å; K218-F220 HydrophobicContact CG-CZ 3.72Å; F220-S232 VanDerWaalsContact CA-OG 3.29Å; F220-S232 WeakPolarHBondContact CA-OG 3.42Å; F220-V233 HydrophobicContact CB-CG2 4.47Å; F220-V233 HydrophobicContact CD1-CG2 3.6Å; F220-V233 HydrophobicContact CE1-CG2 4.31Å; F220-V233 HydrophobicContact CG-CG2 4.45Å; F220-L287 HydrophobicContact CD2-CD1 3.72Å; F220-L287 HydrophobicContact CD2-CD2 4.31Å; F220-L287 HydrophobicContact CE2-CD1 3.83Å; F220-L287 HydrophobicContact CE2-CD2 3.87Å; F220-L287 HydrophobicContact CE2-CG 4.46Å; F220-L287 HydrophobicContact CG-CD1 4.08Å; F220-L287 HydrophobicContact CZ-CD1 4.25Å; F220-L291 HydrophobicContact CD1-CD2 4.22Å; F220-L291 HydrophobicContact CE1-CD2 3.64Å; F220-L291 HydrophobicContact CZ-CD1 4.24Å; F220-L291 HydrophobicContact CZ-CD2 4.16Å; F220-L315 HydrophobicContact CB-CD2 3.75Å
221W97.5Very high92.3Very high11 Ų1149 Ų494%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-142.6155.5177.264.1-99.1000112L5 L9 T136 T138 L141 G201 V202 V223 A230 C231 S232L5-W221 HydrophobicContact CD1-CB 3.98Å; L5-W221 HydrophobicContact CD1-CD2 4.48Å; L5-W221 HydrophobicContact CD1-CE3 4.45Å; L5-W221 HydrophobicContact CD1-CG 4.3Å; L5-W221 HydrophobicContact CD2-CD2 4.07Å; L5-W221 HydrophobicContact CD2-CE3 3.71Å; L5-W221 HydrophobicContact CD2-CZ3 4.04Å; L9-W221 HydrophobicContact CD1-CG 4.4Å; L9-W221 HydrophobicContact CD2-CB 4.11Å; L9-W221 HydrophobicContact CD2-CG 4.26Å; T136-W221 WeakPolarHBondContact O-CZ2 3.45Å; T136-W221 PolarHBondContact O-NE1 2.88Å; T136-W221 VanDerWaalsContact O-NE1 3.15Å; T138-W221 HydrophobicContact CG2-CD2 4.31Å; T138-W221 HydrophobicContact CG2-CH2 4.32Å; T138-W221 HydrophobicContact CG2-CZ2 3.74Å; L141-W221 HydrophobicContact CD1-CH2 3.64Å; L141-W221 HydrophobicContact CD1-CZ3 3.79Å; G201-W221 VanDerWaalsContact O-CA 3.24Å; G201-W221 WeakPolarHBondContact O-CA 3.4Å; V202-W221 HydrophobicContact CG2-CB 4.3Å; W221-V223 HydrophobicContact CE3-CG2 4.28Å; W221-V223 HydrophobicContact CZ3-CG2 4.27Å; W221-A230 HydrophobicContact CH2-CB 3.96Å; W221-A230 HydrophobicContact CZ3-CB 3.77Å; W221-C231 WeakPolarHBondContact O-CA 3.39Å; W221-C231 PolarHBondContact O-SG 2.74Å; W221-S232 PolarHBondContact N-OG 2.86Å; W221-S232 PolarHBondContact O-N 2.75Å; W221-S232 PolarHBondContact O-OG 3.04Å
222G97.1Very high92.6Very high0 Ų049.1 Ų49.10%030%0.303CS..EExtended strand (participates in β ladder)trans-149.3145.6176.700000111.4M200 G201 A230M200-G222 CarbonylContact C-O 3.56Å; M200-G222 VanDerWaalsContact CA-O 3.29Å; M200-G222 WeakPolarHBondContact CA-O 3.48Å; G201-G222 PolarHBondContact N-O 3.16Å; G201-G222 PolarHBondContact O-N 2.81Å; G222-A230 CarbonylContact C-O 3.59Å; G222-A230 WeakPolarHBondContact CA-O 3.42Å
223V97.1Very high92.8Very high0 Ų043.3 Ų43.30%027%0.265CS..EExtended strand (participates in β ladder)trans-131.3126.6174.4-179.90000108L5 I143 V199 M200 W221 V228 K229 A230 A318L5-V223 HydrophobicContact CD2-CG2 3.86Å; I143-V223 HydrophobicContact CD1-CB 4.47Å; I143-V223 HydrophobicContact CD1-CG1 3.92Å; I143-V223 HydrophobicContact CD1-CG2 3.85Å; I143-V223 HydrophobicContact CG1-CG1 4.15Å; I143-V223 HydrophobicContact CG2-CG1 4.18Å; V199-V223 WeakPolarHBondContact O-CA 3.42Å; M200-V223 HydrophobicContact CB-CG2 4.42Å; M200-V223 HydrophobicContact CE-CG2 4.27Å; M200-V223 HydrophobicContact CG-CG2 4.15Å; W221-V223 HydrophobicContact CE3-CG2 4.28Å; W221-V223 HydrophobicContact CZ3-CG2 4.27Å; V223-V228 HydrophobicContact CG1-CG1 4.14Å; V223-K229 WeakPolarHBondContact O-CA 3.3Å; V223-A230 PolarHBondContact N-O 2.75Å; V223-A230 PolarHBondContact O-N 3.26Å; V223-A318 WeakPolarHBondContact O-CB 3.38Å
224S95.4Very high92.8Very high5 Ų545.8 Ų45.84%0.03527%0.273CS..EExtended strand (participates in β ladder)trans-13598.7173.6-1780000108.6V199 V228V199-S224 WeakPolarHBondContact CA-O 3.32Å; V199-S224 PolarHBondContact O-N 3.34Å; S224-V228 WeakPolarHBondContact CA-O 2.84Å
225C91.7Very high92.4Very high12 Ų1251.7 Ų51.78%0.08129%0.29CS..EExtended strand (participates in β ladder)trans-147.6118.9-179.6176.30000110.4L145 V199 S227 V228L145-C225 HydrophobicContact CD1-CB 4.27Å; L145-C225 WeakPolarHBondContact CD2-SG 3.18Å; V199-C225 HydrophobicContact CB-CB 4.4Å; V199-C225 HydrophobicContact CG1-CB 4.44Å; C225-S227 PolarHBondContact O-N 3.28Å; C225-V228 PolarHBondContact N-O 3Å; C225-V228 WeakPolarHBondContact O-CB 3.49Å; C225-V228 PolarHBondContact O-N 3.18Å
226G86.9Confident91.6Very high72 Ų7252 Ų5274%0.74230%0.296SS*.THydrogen-bonded Turntrans55.5-120.7-177.100000111.5
227S86.8Confident90.4Very high124 Ų12456.7 Ų56.787%0.86732%0.316SS*.THydrogen-bonded Turntrans-83.6-9.217659.80000114.2C225 K229C225-S227 PolarHBondContact O-N 3.28Å; S227-K229 PolarHBondContact O-N 3.19Å
228V91.8Very high88.5Confident26 Ų2661.9 Ų61.916%0.15834%0.337CS..EExtended strand (participates in β ladder)trans-85.3115.5-177.5-176.10000109.2H142 V223 S224 C225H142-V228 WeakPolarHBondContact O-CG2 3.31Å; V223-V228 HydrophobicContact CG1-CG1 4.14Å; S224-V228 WeakPolarHBondContact CA-O 2.84Å; C225-V228 PolarHBondContact N-O 3Å; C225-V228 WeakPolarHBondContact O-CB 3.49Å; C225-V228 PolarHBondContact O-N 3.18Å
229K93.7Very high86.5Confident106 Ų10665 Ų6546%0.46135%0.346SS..EExtended strand (participates in β ladder)trans-128.7109.3168.6-64.9-169.4179.7-166.40108.8V223 S227V223-K229 WeakPolarHBondContact O-CA 3.3Å; S227-K229 PolarHBondContact O-N 3.19Å
230A94.4Very high84.1Confident18 Ų1868 Ų6815%0.14937%0.371CS..EExtended strand (participates in β ladder)trans-138.9139.5-178.400000109.9L141 W221 G222 V223 A318L141-A230 HydrophobicContact CD1-CB 4.16Å; L141-A230 HydrophobicContact CD2-CB 3.66Å; W221-A230 HydrophobicContact CH2-CB 3.96Å; W221-A230 HydrophobicContact CZ3-CB 3.77Å; G222-A230 CarbonylContact C-O 3.59Å; G222-A230 WeakPolarHBondContact CA-O 3.42Å; V223-A230 PolarHBondContact N-O 2.75Å; V223-A230 PolarHBondContact O-N 3.26Å; A230-A318 WeakPolarHBondContact O-CB 3.47Å
231C94.6Very high81.8Confident29 Ų2970.2 Ų70.220%0.19639%0.39CS..EExtended strand (participates in β ladder)trans-147.9146.2179.7-170.50000110.1W221 V233 A318 L319W221-C231 WeakPolarHBondContact O-CA 3.39Å; W221-C231 PolarHBondContact O-SG 2.74Å; C231-V233 PolarHBondContact O-N 3.11Å; C231-V233 PolarHBondContact SG-N 2.77Å; C231-V233 VanDerWaalsContact SG-N 3.4Å; C231-A318 HydrophobicContact CB-CB 4.14Å; C231-L319 HydrophobicContact CB-CD2 3.91Å; C231-L319 HydrophobicContact CB-CG 4.32Å
232S94.3Very high79.3Confident51 Ų5177.9 Ų77.936%0.35742%0.424SS..SBendtrans-70.1-14.1172.2710000113.1F220 W221F220-S232 VanDerWaalsContact CA-OG 3.29Å; F220-S232 WeakPolarHBondContact CA-OG 3.42Å; W221-S232 PolarHBondContact N-OG 2.86Å; W221-S232 PolarHBondContact O-N 2.75Å; W221-S232 PolarHBondContact O-OG 3.04Å
233V91.8Very high76.8Confident21 Ų2182.9 Ų82.913%0.12746%0.455CS..SBendtrans-102.2132.1177.9-1770000108.1F220 C231 I290 L291 L319F220-V233 HydrophobicContact CB-CG2 4.47Å; F220-V233 HydrophobicContact CD1-CG2 3.6Å; F220-V233 HydrophobicContact CE1-CG2 4.31Å; F220-V233 HydrophobicContact CG-CG2 4.45Å; C231-V233 PolarHBondContact O-N 3.11Å; C231-V233 PolarHBondContact SG-N 2.77Å; C231-V233 VanDerWaalsContact SG-N 3.4Å; V233-I290 HydrophobicContact CB-CG2 4.43Å; V233-I290 HydrophobicContact CG1-CG2 4.45Å; V233-I290 HydrophobicContact CG2-CG2 4.1Å; V233-L291 HydrophobicContact CG1-CD2 4.25Å; V233-L291 HydrophobicContact CG2-CD2 4.16Å; V233-L319 WeakPolarHBondContact O-CD2 3.45Å
234L87Confident74.7Confident159 Ų15984.8 Ų84.883%0.83247%0.466SS*.PPolyproline II helixtrans-72.4134.7168.5-64.9176.2000108.6P236L234-P236 WeakPolarHBondContact O-CD 3.41Å
235R81.9Confident72.5Confident140 Ų14090.3 Ų90.353%0.52851%0.512SS..PPolyproline II helixtrans-50.1121.2172.5-173.1174.1-177.8163.65.9108.5K237 L319R235-K237 PolarHBondContact O-N 3.12Å; R235-K237 VanDerWaalsContact O-N 3.11Å; R235-L319 HydrophobicContact CB-CD2 4.29Å
236P74.9Confident70.5Confident35 Ų3594.3 Ų94.323%0.22755%0.546CS..PPolyproline II helixtrans-53.2124.5175.8-25.734000108.3L234 D238 L373L234-P236 WeakPolarHBondContact O-CD 3.41Å; P236-D238 PolarHBondContact O-N 2.73Å; P236-L373 HydrophobicContact CG-CD1 4.09Å
237K64.4Low68.5Low194 Ų19494 Ų9484%0.84354%0.542SS*.PPolyproline II helixtrans-54.9141.2171.9-69.2-175.3179.9-179.30107.4R235 R239R235-K237 PolarHBondContact O-N 3.12Å; R235-K237 VanDerWaalsContact O-N 3.11Å; K237-R239 VanDerWaalsContact C-N 3.34Å; K237-R239 PolarHBondContact O-N 3.08Å
238D54.2Low67Low137 Ų13789.2 Ų89.273%0.73351%0.513SS*.  trans-49.8102.8171.9-67.4-42.8000107.7P236P236-D238 PolarHBondContact O-N 2.73Å
239R51.4Low65.5Low164 Ų16490.9 Ų90.962%0.61953%0.525SS*.  trans-62.8134179.8-72.9-175.8-175.9-174.42.7105.5K237 A241 G292K237-R239 VanDerWaalsContact C-N 3.34Å; K237-R239 PolarHBondContact O-N 3.08Å; R239-A241 PolarHBondContact O-N 3.29Å; R239-G292 VanDerWaalsContact CZ-O 3.27Å; R239-G292 PolarHBondContact NH2-O 3.01Å
240P43.5Very low64.5Low118 Ų11886.1 Ų86.177%0.76651%0.505SS*.  trans-54.8121.6172.320.5-28.9000107.6K242P240-K242 PolarHBondContact O-N 3.47Å
241A46.9Very low64.3Low52 Ų5285.3 Ų85.343%0.4350%0.499SS..  trans-37.5105.7173.100000111.2R239 T243 P249R239-A241 PolarHBondContact O-N 3.29Å; A241-T243 PolarHBondContact O-N 3.11Å; A241-P249 HydrophobicContact CB-CB 3.25Å; A241-P249 HydrophobicContact CB-CG 3.37Å
242K46Very low64.2Low172 Ų17284.5 Ų84.575%0.74849%0.493SS*.  trans-68.4106.4164.4-75.9-171.4178.9-178.30106.5P240 T244 G250P240-K242 PolarHBondContact O-N 3.47Å; K242-T244 PolarHBondContact O-N 2.92Å; K242-G250 PolarHBondContact O-N 3.29Å
243T45Very low64.3Low106 Ų10682.1 Ų82.165%0.6548%0.476SS*.BIsolated β-bridgetrans-61.7127.2-179.443.80000109.9A241 G248A241-T243 PolarHBondContact O-N 3.11Å; T243-G248 CarbonylContact C-O 3.53Å; T243-G248 VanDerWaalsContact CA-O 3.31Å; T243-G248 WeakPolarHBondContact CA-O 3.17Å
244T52.7Low64.5Low39 Ų3981.1 Ų81.124%0.23947%0.47CS..  trans-68.6165.5167.3610000109.9K242 A246 G247 G248 G250K242-T244 PolarHBondContact O-N 2.92Å; T244-A246 PolarHBondContact O-N 2.87Å; T244-A246 PolarHBondContact OG1-N 3.35Å; T244-G247 PolarHBondContact O-N 2.79Å; T244-G248 PolarHBondContact N-O 3.37Å; T244-G248 PolarHBondContact OG1-O 3.28Å; T244-G250 VanDerWaalsContact CG2-CA 3.43Å
245A48.3Very low65Low121 Ų12173.5 Ų73.5100%143%0.431SS*.THydrogen-bonded Turntrans-56.8-14.9171.200000113.4
246A50.8Low65.6Low97 Ų9768 Ų6880%0.80241%0.414SS*.THydrogen-bonded Turntrans-97.912174.900000114.2T244T244-A246 PolarHBondContact O-N 2.87Å; T244-A246 PolarHBondContact OG1-N 3.35Å
247G44.7Very low66.5Low64 Ų6470.5 Ų70.566%0.6643%0.432SS*.SBendtrans83.511.6167.600000117.1T244T244-G247 PolarHBondContact O-N 2.79Å
248G54.7Low67.9Low25 Ų2566.1 Ų66.126%0.25843%0.426SS..SBendtrans-123.7159.2175.700000113.6T243 T244 G250T243-G248 CarbonylContact C-O 3.53Å; T243-G248 VanDerWaalsContact CA-O 3.31Å; T243-G248 WeakPolarHBondContact CA-O 3.17Å; T244-G248 PolarHBondContact N-O 3.37Å; T244-G248 PolarHBondContact OG1-O 3.28Å; G248-G250 PolarHBondContact O-N 2.98Å; G248-G250 VanDerWaalsContact O-N 3.14Å
249P59.6Low69.9Low61 Ų6160 Ų6040%0.39639%0.393SS..BIsolated β-bridgetrans-53119.8168.5-5.37.3000109.9A241A241-P249 HydrophobicContact CB-CB 3.25Å; A241-P249 HydrophobicContact CB-CG 3.37Å
250G73.1Confident71.9Confident5 Ų556 Ų565%0.05238%0.38CS..PPolyproline II helixtrans-61.2146168.600000109.4K242 T244 G248 R275K242-G250 PolarHBondContact O-N 3.29Å; T244-G250 VanDerWaalsContact CG2-CA 3.43Å; G248-G250 PolarHBondContact O-N 2.98Å; G248-G250 VanDerWaalsContact O-N 3.14Å; G250-R275 PolarHBondContact O-NH1 3.25Å; G250-R275 PolarHBondContact O-NH2 2.73Å
251L89.6Confident74.4Confident2 Ų255.7 Ų55.71%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-92.2142.5168.7-173.867.8000109.3V253 L270 C271 R275 D295 V296 I377 V381L251-V253 HydrophobicContact CD2-CG2 3.78Å; L251-V253 HydrophobicContact CG-CG2 4.04Å; L251-L270 WeakPolarHBondContact CB-O 3.11Å; L251-L270 HydrophobicContact CD2-CB 4.49Å; L251-L270 HydrophobicContact CD2-CD1 4.49Å; L251-L270 PolarHBondContact N-O 2.8Å; L251-L270 VanDerWaalsContact N-O 3.13Å; L251-C271 WeakPolarHBondContact O-CA 3.34Å; L251-R275 VanDerWaalsContact O-CB 3.24Å; L251-R275 WeakPolarHBondContact O-CB 3.44Å; L251-R275 PolarHBondContact O-NE 2.85Å; L251-D295 HydrophobicContact CD1-CB 3.43Å; L251-D295 VanDerWaalsContact CD1-CB 3.43Å; L251-D295 HydrophobicContact CG-CB 4.37Å; L251-V296 HydrophobicContact CD2-CG1 4.06Å; L251-V296 HydrophobicContact CG-CG1 4.36Å; L251-I377 HydrophobicContact CD1-CB 4.38Å; L251-I377 HydrophobicContact CD1-CD1 3.99Å; L251-I377 HydrophobicContact CD1-CG1 4.17Å; L251-I377 HydrophobicContact CD1-CG2 3.43Å; L251-I377 VanDerWaalsContact CD1-CG2 3.43Å; L251-I377 HydrophobicContact CD2-CG2 4.28Å; L251-I377 HydrophobicContact CG-CG2 4.48Å; L251-V381 HydrophobicContact CD2-CG2 3.65Å
252S93.1Very high76.6Confident12 Ų1255.1 Ų55.18%0.08436%0.364CS..EExtended strand (participates in β ladder)trans-102.9115.8166.419.50000110.5R275 D295 V296S252-R275 CarbonylContact C-O 3.51Å; S252-R275 VanDerWaalsContact CA-O 3.3Å; S252-R275 WeakPolarHBondContact CA-O 3.46Å; S252-R275 PolarHBondContact OG-NH2 2.86Å; S252-D295 PolarHBondContact N-OD2 3.16Å; S252-D295 WeakPolarHBondContact O-CB 3.37Å; S252-D295 PolarHBondContact O-N 3.32Å; S252-D295 VanDerWaalsContact OG-CG 3.31Å; S252-D295 PolarHBondContact OG-OD2 2.95Å; S252-V296 PolarHBondContact O-N 3Å
253V96.3Very high79Confident0 Ų047 Ų470%033%0.328CS..EExtended strand (participates in β ladder)trans-109129.6177.9-178.50000107.9L251 M255 L267 C271 R275 L276 M277 V296 V298L251-V253 HydrophobicContact CD2-CG2 3.78Å; L251-V253 HydrophobicContact CG-CG2 4.04Å; V253-M255 HydrophobicContact CG1-CE 3.6Å; V253-L267 HydrophobicContact CG1-CD1 4.09Å; V253-C271 VanDerWaalsContact CG2-SG 3.5Å; V253-R275 PolarHBondContact N-O 3.46Å; V253-L276 HydrophobicContact CB-CD1 4.02Å; V253-L276 HydrophobicContact CG1-CD1 4.23Å; V253-M277 PolarHBondContact O-N 2.83Å; V253-V296 WeakPolarHBondContact CA-O 3.28Å; V253-V296 HydrophobicContact CB-CG1 4.14Å; V253-V296 HydrophobicContact CG1-CG1 4.15Å; V253-V296 HydrophobicContact CG2-CG1 3.65Å; V253-V298 HydrophobicContact CG1-CB 4.44Å; V253-V298 HydrophobicContact CG1-CG2 4.11Å
254V97.5Very high81.3Confident0 Ų043.3 Ų43.30%030%0.303CS..EExtended strand (participates in β ladder)trans-103.1144167.168.10000109.7M277 A279 K285 V289 A294 V296 Y297 V298V254-M277 CarbonylContact C-O 3.59Å; V254-M277 WeakPolarHBondContact CA-O 3.36Å; V254-A279 HydrophobicContact CG2-CB 4.12Å; V254-K285 HydrophobicContact CG1-CB 4.27Å; V254-K285 HydrophobicContact CG2-CB 4.5Å; V254-K285 HydrophobicContact CG2-CD 4.31Å; V254-K285 HydrophobicContact CG2-CG 3.91Å; V254-V289 HydrophobicContact CG1-CG2 4.35Å; V254-A294 HydrophobicContact CB-CB 3.82Å; V254-A294 HydrophobicContact CG1-CB 3.7Å; V254-V296 PolarHBondContact N-O 3.24Å; V254-Y297 HydrophobicContact CG1-CD2 4.35Å; V254-Y297 HydrophobicContact CG1-CG 4.27Å; V254-Y297 WeakPolarHBondContact O-CA 3.3Å; V254-Y297 WeakPolarHBondContact O-CD2 3.24Å; V254-V298 PolarHBondContact O-N 3.23Å
255M97.1Very high83.3Confident0 Ų047 Ų470%032%0.318CS..EExtended strand (participates in β ladder)trans-156.5179175.460.3-177.159.900111.2V253 E259 V263 K264 L267 L276 M277 Y278 A279 V298V253-M255 HydrophobicContact CG1-CE 3.6Å; M255-E259 HydrophobicContact CB-CB 4.42Å; M255-E259 HydrophobicContact CG-CB 4.33Å; M255-E259 HydrophobicContact SD-CB 3.93Å; M255-E259 HydrophobicContact SD-CG 3.83Å; M255-V263 HydrophobicContact CE-CG1 4.49Å; M255-K264 HydrophobicContact SD-CG 3.69Å; M255-L267 HydrophobicContact CE-CD1 3.88Å; M255-L276 HydrophobicContact CE-CD1 3.48Å; M255-L276 VanDerWaalsContact CE-CD1 3.48Å; M255-L276 HydrophobicContact SD-CD1 4.01Å; M255-M277 PolarHBondContact N-O 2.82Å; M255-Y278 HydrophobicContact CG-CD1 3.77Å; M255-Y278 HydrophobicContact CG-CE1 3.69Å; M255-Y278 WeakPolarHBondContact O-CA 3.35Å; M255-Y278 HydrophobicContact SD-CE1 3.99Å; M255-A279 PolarHBondContact O-N 2.96Å; M255-A279 VanDerWaalsContact O-N 3.16Å; M255-V298 WeakPolarHBondContact CB-O 3.33Å
256S94.9Very high85.4Confident25 Ų2541.6 Ų41.618%0.17527%0.273CS..  trans-73.5146.7168.8-175.70000110.9S258 E259S256-S258 PolarHBondContact O-N 2.9Å; S256-S258 PolarHBondContact OG-N 3.03Å; S256-S258 PolarHBondContact OG-OG 2.73Å; S256-E259 VanDerWaalsContact O-CB 3.23Å; S256-E259 WeakPolarHBondContact O-CB 3.49Å; S256-E259 PolarHBondContact O-N 2.8Å; S256-E259 VanDerWaalsContact O-N 3.11Å
257S93.4Very high87.4Confident87 Ų8737 Ų3761%0.60824%0.235SC*.THydrogen-bonded Turntrans-62.7-23.4169.358.50000112.3E259 K264S257-E259 VanDerWaalsContact C-N 3.31Å; S257-K264 PolarHBondContact O-NZ 3.34Å
258S93Very high89.6Confident102 Ų10236.2 Ų36.271%0.71322%0.222SC*.THydrogen-bonded Turntrans-82-0.8175.363.60000114.6S256S256-S258 PolarHBondContact O-N 2.9Å; S256-S258 PolarHBondContact OG-N 3.03Å; S256-S258 PolarHBondContact OG-OG 2.73Å
259E95.9Very high91.2Very high7 Ų739.8 Ų39.83%0.03324%0.24CC..SBendtrans-59.4150179.9-175.956-94.500111.8M255 S256 S257 Q261 V263 K264 L299 S300M255-E259 HydrophobicContact CB-CB 4.42Å; M255-E259 HydrophobicContact CG-CB 4.33Å; M255-E259 HydrophobicContact SD-CB 3.93Å; M255-E259 HydrophobicContact SD-CG 3.83Å; S256-E259 VanDerWaalsContact O-CB 3.23Å; S256-E259 WeakPolarHBondContact O-CB 3.49Å; S256-E259 PolarHBondContact O-N 2.8Å; S256-E259 VanDerWaalsContact O-N 3.11Å; S257-E259 VanDerWaalsContact C-N 3.31Å; E259-Q261 PolarHBondContact O-N 3.5Å; E259-V263 HydrophobicContact CG-CB 4.07Å; E259-V263 HydrophobicContact CG-CG1 3.98Å; E259-K264 WeakPolarHBondContact O-CE 3.33Å; E259-K264 PolarHBondContact O-NZ 2.75Å; E259-L299 WeakPolarHBondContact OE2-CA 3.28Å; E259-S300 WeakPolarHBondContact OE1-CB 3.47Å; E259-S300 PolarHBondContact OE1-OG 3.08Å; E259-S300 PolarHBondContact OE2-N 3.44Å
260K95Very high92.5Very high81 Ų8138.1 Ų38.135%0.35223%0.228SC..  trans-52.3135.2-179.8-68.8-171.8177100.20111.3A262 V263 K264 S300 E301K260-A262 VanDerWaalsContact C-N 3.26Å; K260-A262 PolarHBondContact O-N 3.33Å; K260-V263 HydrophobicContact CB-CB 4.38Å; K260-V263 HydrophobicContact CB-CG2 3.95Å; K260-V263 WeakPolarHBondContact O-CB 3.42Å; K260-V263 PolarHBondContact O-N 2.83Å; K260-K264 PolarHBondContact O-N 3.35Å; K260-K264 VanDerWaalsContact O-N 3.16Å; K260-S300 PolarHBondContact NZ-OG 3.24Å; K260-E301 WeakPolarHBondContact CE-OE1 3.46Å; K260-E301 VanDerWaalsContact NZ-CD 3.26Å; K260-E301 IonicContact NZ-OE1 3.59Å; K260-E301 PolarHBondContact NZ-OE1 2.92Å; K260-E301 IonicContact NZ-OE2 3.78Å
261Q94.7Very high93.1Very high112 Ų11238.5 Ų38.552%0.52323%0.23SC..Hα-helixtrans-58.8-38.8179.2-174.159.823.900112.2E259 V263 K264 E265E259-Q261 PolarHBondContact O-N 3.5Å; Q261-V263 VanDerWaalsContact C-N 3.3Å; Q261-V263 PolarHBondContact O-N 3.21Å; Q261-K264 WeakPolarHBondContact O-CB 3.22Å; Q261-K264 PolarHBondContact O-N 3.16Å; Q261-E265 HydrophobicContact CG-CG 4.38Å; Q261-E265 VanDerWaalsContact CG-OE1 3.26Å; Q261-E265 WeakPolarHBondContact CG-OE1 3.38Å; Q261-E265 PolarHBondContact NE2-OE1 3.35Å; Q261-E265 WeakPolarHBondContact O-CB 3.18Å; Q261-E265 WeakPolarHBondContact O-CG 3.23Å; Q261-E265 PolarHBondContact O-N 3.3Å
262A94.4Very high92.2Very high40 Ų4038.9 Ų38.933%0.33124%0.235SC..Hα-helixtrans-59.9-37.6176.200000113K260 A266 F389K260-A262 VanDerWaalsContact C-N 3.26Å; K260-A262 PolarHBondContact O-N 3.33Å; A262-A266 VanDerWaalsContact O-CB 3.24Å; A262-A266 WeakPolarHBondContact O-CB 3.35Å; A262-A266 PolarHBondContact O-N 3.28Å; A262-F389 HydrophobicContact CB-CB 4.05Å
263V94.8Very high91.4Very high0 Ų043.9 Ų43.90%027%0.266CS..Hα-helixtrans-70-43.4177.7175.80000110.5M255 E259 K260 Q261 E265 A266 L267 V298 L385 F389M255-V263 HydrophobicContact CE-CG1 4.49Å; E259-V263 HydrophobicContact CG-CB 4.07Å; E259-V263 HydrophobicContact CG-CG1 3.98Å; K260-V263 HydrophobicContact CB-CB 4.38Å; K260-V263 HydrophobicContact CB-CG2 3.95Å; K260-V263 WeakPolarHBondContact O-CB 3.42Å; K260-V263 PolarHBondContact O-N 2.83Å; Q261-V263 VanDerWaalsContact C-N 3.3Å; Q261-V263 PolarHBondContact O-N 3.21Å; V263-E265 PolarHBondContact O-N 2.96Å; V263-A266 PolarHBondContact O-N 2.84Å; V263-L267 HydrophobicContact CG1-CD1 4.08Å; V263-L267 WeakPolarHBondContact O-CG 3.41Å; V263-L267 PolarHBondContact O-N 2.88Å; V263-L267 VanDerWaalsContact O-N 3.08Å; V263-V298 HydrophobicContact CG1-CG1 4.2Å; V263-L385 HydrophobicContact CG1-CD2 4.15Å; V263-F389 HydrophobicContact CG2-CD1 4.11Å; V263-F389 HydrophobicContact CG2-CD2 3.97Å; V263-F389 HydrophobicContact CG2-CE1 4.22Å; V263-F389 HydrophobicContact CG2-CE2 4.05Å; V263-F389 HydrophobicContact CG2-CG 3.99Å; V263-F389 HydrophobicContact CG2-CZ 4.17Å
264K94.5Very high90.5Very high29 Ų2951.5 Ų51.513%0.12631%0.307CS..Hα-helixtrans-58.8-47.6175-69.1167.1175.5155.10111.3M255 S257 E259 K260 Q261 L267 A268 L276 Y278M255-K264 HydrophobicContact SD-CG 3.69Å; S257-K264 PolarHBondContact O-NZ 3.34Å; E259-K264 WeakPolarHBondContact O-CE 3.33Å; E259-K264 PolarHBondContact O-NZ 2.75Å; K260-K264 PolarHBondContact O-N 3.35Å; K260-K264 VanDerWaalsContact O-N 3.16Å; Q261-K264 WeakPolarHBondContact O-CB 3.22Å; Q261-K264 PolarHBondContact O-N 3.16Å; K264-L267 PolarHBondContact O-N 3.48Å; K264-A268 WeakPolarHBondContact O-CB 3.47Å; K264-A268 PolarHBondContact O-N 3.01Å; K264-L276 HydrophobicContact CB-CD2 4.25Å; K264-Y278 HydrophobicContact CD-CE1 4.48Å
265E93.1Very high90Very high118 Ų11854 Ų5455%0.55132%0.317SS*.Hα-helixtrans-65.9-38.3179.2-73.4171.9-175.300112.4Q261 V263 L267 P269Q261-E265 HydrophobicContact CG-CG 4.38Å; Q261-E265 VanDerWaalsContact CG-OE1 3.26Å; Q261-E265 WeakPolarHBondContact CG-OE1 3.38Å; Q261-E265 PolarHBondContact NE2-OE1 3.35Å; Q261-E265 WeakPolarHBondContact O-CB 3.18Å; Q261-E265 WeakPolarHBondContact O-CG 3.23Å; Q261-E265 PolarHBondContact O-N 3.3Å; V263-E265 PolarHBondContact O-N 2.96Å; E265-L267 PolarHBondContact O-N 3.38Å; E265-P269 VanDerWaalsContact O-CD 3.22Å; E265-P269 WeakPolarHBondContact O-CD 3.39Å
266A93.2Very high89.8Confident7 Ų755.8 Ų55.86%0.05833%0.326CS..Hα-helixtrans-65.7-36176.800000113A262 V263 L385 K388A262-A266 VanDerWaalsContact O-CB 3.24Å; A262-A266 WeakPolarHBondContact O-CB 3.35Å; A262-A266 PolarHBondContact O-N 3.28Å; V263-A266 PolarHBondContact O-N 2.84Å; A266-L385 HydrophobicContact CB-CD2 4.01Å; A266-K388 HydrophobicContact CB-CB 4.28Å; A266-K388 HydrophobicContact CB-CD 3.91Å
267L93.1Very high89.8Confident0 Ų056.2 Ų56.20%033%0.326CS..Hα-helixtrans-93.3-19.8-176.7-64.9177.9000114.2V253 M255 V263 K264 E265 P269 L270 C271 V298 V381 L385V253-L267 HydrophobicContact CG1-CD1 4.09Å; M255-L267 HydrophobicContact CE-CD1 3.88Å; V263-L267 HydrophobicContact CG1-CD1 4.08Å; V263-L267 WeakPolarHBondContact O-CG 3.41Å; V263-L267 PolarHBondContact O-N 2.88Å; V263-L267 VanDerWaalsContact O-N 3.08Å; K264-L267 PolarHBondContact O-N 3.48Å; E265-L267 PolarHBondContact O-N 3.38Å; L267-P269 VanDerWaalsContact C-CD 3.46Å; L267-P269 VanDerWaalsContact C-N 3.32Å; L267-L270 HydrophobicContact CD2-CD1 4.05Å; L267-L270 WeakPolarHBondContact O-CB 3.21Å; L267-L270 PolarHBondContact O-N 3.28Å; L267-C271 PolarHBondContact O-N 2.83Å; L267-C271 PolarHBondContact O-SG 3.26Å; L267-V298 HydrophobicContact CD1-CB 4.2Å; L267-V298 HydrophobicContact CD1-CG1 4.23Å; L267-V298 HydrophobicContact CD1-CG2 3.95Å; L267-V381 HydrophobicContact CD2-CG1 4.14Å; L267-L385 HydrophobicContact CD1-CD2 4.09Å; L267-L385 HydrophobicContact CD2-CD1 4.44Å; L267-L385 HydrophobicContact CD2-CD2 3.8Å; L267-L385 HydrophobicContact CD2-CG 3.93Å; L267-L385 HydrophobicContact CG-CD2 3.75Å; L267-L385 HydrophobicContact CG-CG 4.41Å
268A91.2Very high89.9Confident47 Ų4756.2 Ų56.239%0.38831%0.313SS..G310 helixtrans-53.2-41.2178.700000113.5K264 L270 C271K264-A268 WeakPolarHBondContact O-CB 3.47Å; K264-A268 PolarHBondContact O-N 3.01Å; A268-L270 VanDerWaalsContact C-N 3.32Å; A268-L270 PolarHBondContact O-N 3.07Å; A268-C271 PolarHBondContact O-N 3Å; A268-C271 VanDerWaalsContact O-N 3.12Å; A268-C271 VanDerWaalsContact O-O 3.08Å
269P88.3Confident90.1Very high100 Ų10051.6 Ų51.665%0.64928%0.281SS*.G310 helixtrans-66.4-27.5177.1-23.135000114.8E265 L267 C271E265-P269 VanDerWaalsContact O-CD 3.22Å; E265-P269 WeakPolarHBondContact O-CD 3.39Å; L267-P269 VanDerWaalsContact C-CD 3.46Å; L267-P269 VanDerWaalsContact C-N 3.32Å; P269-C271 VanDerWaalsContact C-N 3.3Å
270L85.8Confident90.1Very high26 Ų2652.9 Ų52.914%0.13629%0.291CS..G310 helixtrans-74.8-25.6173.6-70.9-177.1000112.2L251 L267 A268 E384L251-L270 WeakPolarHBondContact CB-O 3.11Å; L251-L270 HydrophobicContact CD2-CB 4.49Å; L251-L270 HydrophobicContact CD2-CD1 4.49Å; L251-L270 PolarHBondContact N-O 2.8Å; L251-L270 VanDerWaalsContact N-O 3.13Å; L267-L270 HydrophobicContact CD2-CD1 4.05Å; L267-L270 WeakPolarHBondContact O-CB 3.21Å; L267-L270 PolarHBondContact O-N 3.28Å; A268-L270 VanDerWaalsContact C-N 3.32Å; A268-L270 PolarHBondContact O-N 3.07Å; L270-E384 HydrophobicContact CD1-CB 3.68Å; L270-E384 HydrophobicContact CD1-CG 3.62Å; L270-E384 HydrophobicContact CD2-CG 3.81Å; L270-E384 HydrophobicContact CG-CB 4.23Å; L270-E384 HydrophobicContact CG-CG 3.72Å
271C85.3Confident90.2Very high14 Ų1449.5 Ų49.510%0.09528%0.279CS..EExtended strand (participates in β ladder)trans-85143.5-178.9-60.70000110.6L251 V253 L267 A268 P269 R275 L276L251-C271 WeakPolarHBondContact O-CA 3.34Å; V253-C271 VanDerWaalsContact CG2-SG 3.5Å; L267-C271 PolarHBondContact O-N 2.83Å; L267-C271 PolarHBondContact O-SG 3.26Å; A268-C271 PolarHBondContact O-N 3Å; A268-C271 VanDerWaalsContact O-N 3.12Å; A268-C271 VanDerWaalsContact O-O 3.08Å; P269-C271 VanDerWaalsContact C-N 3.3Å; C271-R275 HydrophobicContact CB-CB 4.28Å; C271-L276 HydrophobicContact CB-CB 4.38Å
272G72.4Confident90.3Very high10 Ų1044.7 Ų44.710%0.10326%0.259CS..EExtended strand (participates in β ladder)trans-72.2170.216200000111.1D274 R275G272-D274 PolarHBondContact O-N 2.95Å; G272-R275 WeakPolarHBondContact O-CB 3.41Å; G272-R275 PolarHBondContact O-N 2.81Å; G272-R275 VanDerWaalsContact O-N 3.13Å
273P74.8Confident90.5Very high116 Ų11642.8 Ų42.875%0.75324%0.243SC*.EExtended strand (participates in β ladder)trans-49.6135.2167.9-23.633.1000110.7R275P273-R275 PolarHBondContact O-N 3.33Å
274D78.9Confident90.7Very high160 Ų16043.3 Ų43.386%0.85625%0.245SC*.EExtended strand (participates in β ladder)trans61.820.1179.5-48.9-42.4000115.9G272G272-D274 PolarHBondContact O-N 2.95Å
275R87Confident90.9Very high54 Ų5442.4 Ų42.420%0.20424%0.241CC..EExtended strand (participates in β ladder)trans-110.3-2.5179.5-59.9-171.168.8175.5-7.5114.8G250 L251 S252 V253 C271 G272 P273 D295G250-R275 PolarHBondContact O-NH1 3.25Å; G250-R275 PolarHBondContact O-NH2 2.73Å; L251-R275 VanDerWaalsContact O-CB 3.24Å; L251-R275 WeakPolarHBondContact O-CB 3.44Å; L251-R275 PolarHBondContact O-NE 2.85Å; S252-R275 CarbonylContact C-O 3.51Å; S252-R275 VanDerWaalsContact CA-O 3.3Å; S252-R275 WeakPolarHBondContact CA-O 3.46Å; S252-R275 PolarHBondContact OG-NH2 2.86Å; V253-R275 PolarHBondContact N-O 3.46Å; C271-R275 HydrophobicContact CB-CB 4.28Å; G272-R275 WeakPolarHBondContact O-CB 3.41Å; G272-R275 PolarHBondContact O-N 2.81Å; G272-R275 VanDerWaalsContact O-N 3.13Å; P273-R275 PolarHBondContact O-N 3.33Å; R275-D295 IonicContact NH2-OD2 3.03Å; R275-D295 PolarHBondContact NH2-OD2 3.46Å
276L92.8Very high91.1Very high37 Ų3736.9 Ų36.919%0.19422%0.215CC..EExtended strand (participates in β ladder)trans-89.9102162.2-172.165.2000107.6V253 M255 K264 C271 Y278V253-L276 HydrophobicContact CB-CD1 4.02Å; V253-L276 HydrophobicContact CG1-CD1 4.23Å; M255-L276 HydrophobicContact CE-CD1 3.48Å; M255-L276 VanDerWaalsContact CE-CD1 3.48Å; M255-L276 HydrophobicContact SD-CD1 4.01Å; K264-L276 HydrophobicContact CB-CD2 4.25Å; C271-L276 HydrophobicContact CB-CB 4.38Å; L276-Y278 WeakPolarHBondContact CD2-OH 3.26Å
277M94.9Very high91.4Very high34 Ų3436.6 Ų36.617%0.16721%0.212CC..EExtended strand (participates in β ladder)trans-112.9150.8-165.3-55.4172-5300110.7L176 V253 V254 M255 A294L176-M277 HydrophobicContact CD2-CB 3.62Å; L176-M277 HydrophobicContact CD2-CE 3.5Å; L176-M277 VanDerWaalsContact CD2-CE 3.5Å; L176-M277 HydrophobicContact CD2-CG 3.91Å; L176-M277 HydrophobicContact CD2-SD 3.28Å; L176-M277 WeakPolarHBondContact CD2-SD 3.22Å; V253-M277 PolarHBondContact O-N 2.83Å; V254-M277 CarbonylContact C-O 3.59Å; V254-M277 WeakPolarHBondContact CA-O 3.36Å; M255-M277 PolarHBondContact N-O 2.82Å; M277-A294 HydrophobicContact CE-CB 3.6Å
278Y95.8Very high91.6Very high86 Ų8636.6 Ų36.634%0.33721%0.213SC..EExtended strand (participates in β ladder)trans-123.2135.1-177.3-54-72.3000110.6P178 M255 K264 L276P178-Y278 WeakPolarHBondContact CA-O 3.36Å; M255-Y278 HydrophobicContact CG-CD1 3.77Å; M255-Y278 HydrophobicContact CG-CE1 3.69Å; M255-Y278 WeakPolarHBondContact O-CA 3.35Å; M255-Y278 HydrophobicContact SD-CE1 3.99Å; K264-Y278 HydrophobicContact CD-CE1 4.48Å; L276-Y278 WeakPolarHBondContact CD2-OH 3.26Å
279A96.8Very high91.9Very high5 Ų534.4 Ų34.44%0.04120%0.195CC..  trans-147.1150.9174.300000112.9L176 P178 V254 M255 Y284 K285L176-A279 HydrophobicContact CD1-CB 4.17Å; P178-A279 CarbonylContact O-C 3.55Å; P178-A279 WeakPolarHBondContact O-CA 3.42Å; V254-A279 HydrophobicContact CG2-CB 4.12Å; M255-A279 PolarHBondContact O-N 2.96Å; M255-A279 VanDerWaalsContact O-N 3.16Å; A279-Y284 HydrophobicContact CB-CD1 4.06Å; A279-Y284 HydrophobicContact CB-CE1 4.17Å; A279-K285 HydrophobicContact CB-CG 4.01Å; A279-K285 WeakPolarHBondContact O-CD 3.45Å; A279-K285 PolarHBondContact O-NZ 3.05Å
280S95.9Very high92.3Very high35 Ų3529.7 Ų29.725%0.24516%0.164CC..SBendtrans-80160.1171.4-560000111.2P178P178-S280 PolarHBondContact O-N 3.16Å; P178-S280 PolarHBondContact O-OG 2.9Å
281G96.3Very high92.8Very high10 Ų1031 Ų3110%0.10317%0.17CC..  trans78.1124.8179.600000114.1A159 K285A159-G281 VanDerWaalsContact CB-CA 3.47Å; G281-K285 VanDerWaalsContact C-NZ 3.27Å; G281-K285 WeakPolarHBondContact O-CE 3.44Å; G281-K285 WeakPolarHBondContact O-CG 3.5Å; G281-K285 PolarHBondContact O-N 2.88Å; G281-K285 VanDerWaalsContact O-N 3.14Å; G281-K285 PolarHBondContact O-NZ 2.95Å
282A97.4Very high93.1Very high11 Ų1130.9 Ų30.99%0.09117%0.172CC..Hα-helixtrans-70.4-49.8-17900000109.7D158 Y284 K285 I286 T304 D308D158-A282 PolarHBondContact OD1-N 2.93Å; D158-A282 PolarHBondContact OD2-N 3.32Å; A282-Y284 VanDerWaalsContact C-N 3.3Å; A282-Y284 PolarHBondContact O-N 2.78Å; A282-K285 PolarHBondContact O-N 3.33Å; A282-I286 WeakPolarHBondContact O-CD1 3.46Å; A282-I286 WeakPolarHBondContact O-CG1 2.72Å; A282-I286 PolarHBondContact O-N 3.07Å; A282-I286 VanDerWaalsContact O-N 3.14Å; A282-T304 HydrophobicContact CB-CG2 3.78Å; A282-D308 HydrophobicContact CB-CB 3.95Å
283G98.3Very high94.1Very high0 Ų032 Ų320%018%0.175CC..Hα-helixtrans-56.5-42.2172.600000112.1D158 L185 K285 I286 L287D158-G283 WeakPolarHBondContact OD2-CA 3.39Å; D158-G283 PolarHBondContact OD2-N 3.31Å; L185-G283 VanDerWaalsContact CD1-C 3.4Å; G283-K285 PolarHBondContact O-N 2.71Å; G283-I286 PolarHBondContact O-N 3.17Å; G283-L287 WeakPolarHBondContact O-CB 3.44Å; G283-L287 PolarHBondContact O-N 3.3Å
284Y98.3Very high95Very high10 Ų1026.5 Ų26.54%0.03914%0.14CC..Hα-helixtrans-65.5-39.3179.4-175.7-100.4000113.4D158 C177 Q182 C183 L185 A279 A282 I286 L287 C288D158-Y284 PolarHBondContact OD2-N 2.9Å; C177-Y284 HydrophobicContact CB-CE1 4.42Å; C177-Y284 WeakPolarHBondContact CB-OH 3.35Å; C177-Y284 PolarHBondContact N-OH 3.35Å; C177-Y284 WeakPolarHBondContact O-CE1 3.43Å; Q182-Y284 WeakPolarHBondContact O-CD2 3.12Å; Q182-Y284 WeakPolarHBondContact O-CE2 3.37Å; C183-Y284 HydrophobicContact CB-CD1 4.27Å; C183-Y284 HydrophobicContact CB-CG 4.15Å; L185-Y284 VanDerWaalsContact CD1-N 3.29Å; A279-Y284 HydrophobicContact CB-CD1 4.06Å; A279-Y284 HydrophobicContact CB-CE1 4.17Å; A282-Y284 VanDerWaalsContact C-N 3.3Å; A282-Y284 PolarHBondContact O-N 2.78Å; Y284-I286 VanDerWaalsContact C-N 3.31Å; Y284-I286 PolarHBondContact O-N 2.74Å; Y284-L287 HydrophobicContact CD2-CD2 4.38Å; Y284-L287 WeakPolarHBondContact O-CB 3.12Å; Y284-L287 PolarHBondContact O-N 2.9Å; Y284-C288 WeakPolarHBondContact CE1-SG 3.44Å; Y284-C288 PolarHBondContact O-N 3.21Å; Y284-C288 PolarHBondContact O-SG 3.27Å
285K98.5Very high95.8Very high11 Ų1121.2 Ų21.25%0.04811%0.111CC..Hα-helixtrans-62.6-39.2173.2-75.9-176.2-71.8-67.20111.9V254 A279 G281 A282 G283 C288 V289 Y297V254-K285 HydrophobicContact CG1-CB 4.27Å; V254-K285 HydrophobicContact CG2-CB 4.5Å; V254-K285 HydrophobicContact CG2-CD 4.31Å; V254-K285 HydrophobicContact CG2-CG 3.91Å; A279-K285 HydrophobicContact CB-CG 4.01Å; A279-K285 WeakPolarHBondContact O-CD 3.45Å; A279-K285 PolarHBondContact O-NZ 3.05Å; G281-K285 VanDerWaalsContact C-NZ 3.27Å; G281-K285 WeakPolarHBondContact O-CE 3.44Å; G281-K285 WeakPolarHBondContact O-CG 3.5Å; G281-K285 PolarHBondContact O-N 2.88Å; G281-K285 VanDerWaalsContact O-N 3.14Å; G281-K285 PolarHBondContact O-NZ 2.95Å; A282-K285 PolarHBondContact O-N 3.33Å; G283-K285 PolarHBondContact O-N 2.71Å; K285-C288 WeakPolarHBondContact O-CB 3.46Å; K285-C288 PolarHBondContact O-N 3.45Å; K285-V289 PolarHBondContact O-N 3.12Å; K285-Y297 HydrophobicContact CB-CD1 3.84Å; K285-Y297 HydrophobicContact CB-CD2 4.06Å; K285-Y297 HydrophobicContact CB-CE1 3.9Å; K285-Y297 HydrophobicContact CB-CE2 4.2Å; K285-Y297 HydrophobicContact CB-CG 3.93Å; K285-Y297 HydrophobicContact CD-CD2 3.98Å; K285-Y297 HydrophobicContact CD-CE2 3.6Å; K285-Y297 VanDerWaalsContact CE-OH 3.23Å; K285-Y297 WeakPolarHBondContact CE-OH 3.32Å
286I98.6Very high96.2Very high1 Ų118.6 Ų18.61%0.00510%0.102CC..Hα-helixtrans-68.6-41175.7-56.3155.7000110.5A282 G283 Y284 C288 V289 I290 Y297 P312 L316 M323 A371A282-I286 WeakPolarHBondContact O-CD1 3.46Å; A282-I286 WeakPolarHBondContact O-CG1 2.72Å; A282-I286 PolarHBondContact O-N 3.07Å; A282-I286 VanDerWaalsContact O-N 3.14Å; G283-I286 PolarHBondContact O-N 3.17Å; Y284-I286 VanDerWaalsContact C-N 3.31Å; Y284-I286 PolarHBondContact O-N 2.74Å; I286-C288 VanDerWaalsContact C-N 3.26Å; I286-C288 PolarHBondContact O-N 3.38Å; I286-V289 WeakPolarHBondContact O-CA 3.25Å; I286-V289 WeakPolarHBondContact O-CB 3.42Å; I286-V289 PolarHBondContact O-N 2.88Å; I286-I290 HydrophobicContact CG2-CD1 4.13Å; I286-I290 WeakPolarHBondContact O-CG1 3.48Å; I286-I290 PolarHBondContact O-N 3.21Å; I286-Y297 HydrophobicContact CG1-CD1 3.63Å; I286-Y297 HydrophobicContact CG1-CE1 3.89Å; I286-P312 HydrophobicContact CB-CB 3.79Å; I286-P312 HydrophobicContact CD1-CB 3.96Å; I286-P312 HydrophobicContact CD1-CG 4.24Å; I286-P312 HydrophobicContact CG1-CB 4.46Å; I286-P312 HydrophobicContact CG2-CB 3.36Å; I286-L316 HydrophobicContact CG2-CD1 3.7Å; I286-L316 HydrophobicContact CG2-CG 4.31Å; I286-M323 HydrophobicContact CD1-CE 3.64Å; I286-M323 HydrophobicContact CD1-SD 4.45Å; I286-M323 HydrophobicContact CG1-CE 3.88Å; I286-M323 HydrophobicContact CG2-CE 3.78Å; I286-A371 HydrophobicContact CG1-CB 4.43Å; I286-A371 HydrophobicContact CG2-CB 4.33Å
287L98.2Very high96.5Very high1 Ų117 Ų171%0.0059%0.093CC..Hα-helixtrans-59.4-37.3174.2-178.862.7000111.7L185 I203 F220 G283 Y284 V289 I290 L291L185-L287 HydrophobicContact CD1-CB 4.45Å; L185-L287 HydrophobicContact CD1-CD2 4.2Å; L185-L287 HydrophobicContact CD2-CD2 4.22Å; I203-L287 HydrophobicContact CD1-CB 4.47Å; I203-L287 HydrophobicContact CD1-CD1 4.14Å; I203-L287 HydrophobicContact CG2-CD2 4.3Å; F220-L287 HydrophobicContact CD2-CD1 3.72Å; F220-L287 HydrophobicContact CD2-CD2 4.31Å; F220-L287 HydrophobicContact CE2-CD1 3.83Å; F220-L287 HydrophobicContact CE2-CD2 3.87Å; F220-L287 HydrophobicContact CE2-CG 4.46Å; F220-L287 HydrophobicContact CG-CD1 4.08Å; F220-L287 HydrophobicContact CZ-CD1 4.25Å; G283-L287 WeakPolarHBondContact O-CB 3.44Å; G283-L287 PolarHBondContact O-N 3.3Å; Y284-L287 HydrophobicContact CD2-CD2 4.38Å; Y284-L287 WeakPolarHBondContact O-CB 3.12Å; Y284-L287 PolarHBondContact O-N 2.9Å; L287-V289 VanDerWaalsContact C-N 3.26Å; L287-V289 PolarHBondContact O-N 3.2Å; L287-I290 HydrophobicContact CD1-CB 4.49Å; L287-I290 HydrophobicContact CD1-CG2 4.47Å; L287-I290 PolarHBondContact O-N 3.28Å; L287-L291 HydrophobicContact CD1-CD1 3.97Å; L287-L291 HydrophobicContact CD1-CD2 4.4Å; L287-L291 HydrophobicContact CD1-CG 3.91Å; L287-L291 HydrophobicContact CD2-CD1 4.4Å; L287-L291 HydrophobicContact CG-CD1 3.84Å; L287-L291 HydrophobicContact CG-CG 4.19Å; L287-L291 WeakPolarHBondContact O-CB 3.49Å; L287-L291 VanDerWaalsContact O-CG 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.34Å; L287-L291 PolarHBondContact O-N 2.91Å
288C97.4Very high96.7Very high1 Ų115.4 Ų15.41%0.0079%0.085CC..Hα-helixtrans-59.5-36.6173.7-70.50000112.4Y284 K285 I286 G292 L293 A294Y284-C288 WeakPolarHBondContact CE1-SG 3.44Å; Y284-C288 PolarHBondContact O-N 3.21Å; Y284-C288 PolarHBondContact O-SG 3.27Å; K285-C288 WeakPolarHBondContact O-CB 3.46Å; K285-C288 PolarHBondContact O-N 3.45Å; I286-C288 VanDerWaalsContact C-N 3.26Å; I286-C288 PolarHBondContact O-N 3.38Å; C288-G292 PolarHBondContact O-N 3.3Å; C288-L293 HydrophobicContact CB-CB 4.19Å; C288-L293 WeakPolarHBondContact O-CA 3.2Å; C288-L293 WeakPolarHBondContact O-CB 3.46Å; C288-L293 PolarHBondContact O-N 3.21Å; C288-A294 HydrophobicContact CB-CB 4.47Å; C288-A294 PolarHBondContact O-N 3.03Å; C288-A294 VanDerWaalsContact O-N 3.14Å
289V97.7Very high96.7Very high1 Ų111.6 Ų11.61%0.0067%0.071CC..Hα-helixtrans-70.4-46.4174.3-179.50000110.6V254 K285 I286 L287 L291 G292 A294 L316 L373V254-V289 HydrophobicContact CG1-CG2 4.35Å; K285-V289 PolarHBondContact O-N 3.12Å; I286-V289 WeakPolarHBondContact O-CA 3.25Å; I286-V289 WeakPolarHBondContact O-CB 3.42Å; I286-V289 PolarHBondContact O-N 2.88Å; L287-V289 VanDerWaalsContact C-N 3.26Å; L287-V289 PolarHBondContact O-N 3.2Å; V289-L291 VanDerWaalsContact C-N 3.27Å; V289-L291 PolarHBondContact O-N 2.9Å; V289-G292 PolarHBondContact O-N 3.15Å; V289-A294 HydrophobicContact CG2-CB 4.4Å; V289-L316 HydrophobicContact CB-CD2 4.5Å; V289-L316 HydrophobicContact CG1-CD2 3.98Å; V289-L373 HydrophobicContact CG1-CG 4.2Å; V289-L373 VanDerWaalsContact O-CD1 3.23Å; V289-L373 WeakPolarHBondContact O-CD1 3.25Å
290I97.5Very high96.7Very high0 Ų012 Ų120%07%0.073CC..Hα-helixtrans-55.2-42.8177.4-69.5164.1000111.4I203 V233 I286 L287 G292 P312 L315 L316 L319I203-I290 HydrophobicContact CD1-CD1 3.85Å; V233-I290 HydrophobicContact CB-CG2 4.43Å; V233-I290 HydrophobicContact CG1-CG2 4.45Å; V233-I290 HydrophobicContact CG2-CG2 4.1Å; I286-I290 HydrophobicContact CG2-CD1 4.13Å; I286-I290 WeakPolarHBondContact O-CG1 3.48Å; I286-I290 PolarHBondContact O-N 3.21Å; L287-I290 HydrophobicContact CD1-CB 4.49Å; L287-I290 HydrophobicContact CD1-CG2 4.47Å; L287-I290 PolarHBondContact O-N 3.28Å; I290-G292 VanDerWaalsContact C-N 3.28Å; I290-G292 PolarHBondContact O-N 3.25Å; I290-P312 HydrophobicContact CD1-CB 4.31Å; I290-L315 HydrophobicContact CD1-CB 3.68Å; I290-L315 HydrophobicContact CD1-CD2 4.1Å; I290-L315 HydrophobicContact CD1-CG 4.49Å; I290-L315 HydrophobicContact CG1-CB 4.29Å; I290-L315 HydrophobicContact CG2-CD2 4.35Å; I290-L316 HydrophobicContact CD1-CG 4.36Å; I290-L316 HydrophobicContact CG1-CD2 3.59Å; I290-L316 HydrophobicContact CG1-CG 3.85Å; I290-L319 HydrophobicContact CG2-CD1 3.92Å
291L95.2Very high96.6Very high53 Ų5314.4 Ų14.428%0.2778%0.081SC..THydrogen-bonded Turntrans-81.1-2.8179.9-62.7178.4000113.8F220 V233 L287 V289 L293F220-L291 HydrophobicContact CD1-CD2 4.22Å; F220-L291 HydrophobicContact CE1-CD2 3.64Å; F220-L291 HydrophobicContact CZ-CD1 4.24Å; F220-L291 HydrophobicContact CZ-CD2 4.16Å; V233-L291 HydrophobicContact CG1-CD2 4.25Å; V233-L291 HydrophobicContact CG2-CD2 4.16Å; L287-L291 HydrophobicContact CD1-CD1 3.97Å; L287-L291 HydrophobicContact CD1-CD2 4.4Å; L287-L291 HydrophobicContact CD1-CG 3.91Å; L287-L291 HydrophobicContact CD2-CD1 4.4Å; L287-L291 HydrophobicContact CG-CD1 3.84Å; L287-L291 HydrophobicContact CG-CG 4.19Å; L287-L291 WeakPolarHBondContact O-CB 3.49Å; L287-L291 VanDerWaalsContact O-CG 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.34Å; L287-L291 PolarHBondContact O-N 2.91Å; V289-L291 VanDerWaalsContact C-N 3.27Å; V289-L291 PolarHBondContact O-N 2.9Å; L291-L293 VanDerWaalsContact C-N 3.27Å; L291-L293 HydrophobicContact CB-CD1 4.37Å; L291-L293 HydrophobicContact CB-CG 4.03Å; L291-L293 HydrophobicContact CD1-CD1 4.4Å; L291-L293 PolarHBondContact O-N 3.42Å
292G93.3Very high96.4Very high12 Ų1215.2 Ų15.212%0.1249%0.088CC..THydrogen-bonded Turntrans65.327.7-176.200000113.9R239 C288 V289 I290R239-G292 VanDerWaalsContact CZ-O 3.27Å; R239-G292 PolarHBondContact NH2-O 3.01Å; C288-G292 PolarHBondContact O-N 3.3Å; V289-G292 PolarHBondContact O-N 3.15Å; I290-G292 VanDerWaalsContact C-N 3.28Å; I290-G292 PolarHBondContact O-N 3.25Å
293L92.8Very high96.2Very high33 Ų3318.3 Ų18.317%0.17311%0.109CC..SBendtrans-79.9-30.2170-58.2179.9000111.3L176 C288 L291L176-L293 HydrophobicContact CB-CD1 4.44Å; C288-L293 HydrophobicContact CB-CB 4.19Å; C288-L293 WeakPolarHBondContact O-CA 3.2Å; C288-L293 WeakPolarHBondContact O-CB 3.46Å; C288-L293 PolarHBondContact O-N 3.21Å; L291-L293 VanDerWaalsContact C-N 3.27Å; L291-L293 HydrophobicContact CB-CD1 4.37Å; L291-L293 HydrophobicContact CB-CG 4.03Å; L291-L293 HydrophobicContact CD1-CD1 4.4Å; L291-L293 PolarHBondContact O-N 3.42Å
294A94.2Very high96.2Very high2 Ų218.5 Ų18.52%0.01711%0.111CC..SBendtrans-126.6155.5167.900000109.4V254 M277 C288 V289V254-A294 HydrophobicContact CB-CB 3.82Å; V254-A294 HydrophobicContact CG1-CB 3.7Å; M277-A294 HydrophobicContact CE-CB 3.6Å; C288-A294 HydrophobicContact CB-CB 4.47Å; C288-A294 PolarHBondContact O-N 3.03Å; C288-A294 VanDerWaalsContact O-N 3.14Å; V289-A294 HydrophobicContact CG2-CB 4.4Å
295D94.7Very high96.1Very high48 Ų4819.7 Ų19.726%0.25712%0.116SC..SBendtrans-84.6-29.3177-64.6-54000111.9L251 S252 R275 I377L251-D295 HydrophobicContact CD1-CB 3.43Å; L251-D295 VanDerWaalsContact CD1-CB 3.43Å; L251-D295 HydrophobicContact CG-CB 4.37Å; S252-D295 PolarHBondContact N-OD2 3.16Å; S252-D295 WeakPolarHBondContact O-CB 3.37Å; S252-D295 PolarHBondContact O-N 3.32Å; S252-D295 VanDerWaalsContact OG-CG 3.31Å; S252-D295 PolarHBondContact OG-OD2 2.95Å; R275-D295 IonicContact NH2-OD2 3.03Å; R275-D295 PolarHBondContact NH2-OD2 3.46Å; D295-I377 HydrophobicContact CB-CD1 3.86Å; D295-I377 HydrophobicContact CB-CG2 4.46Å
296V96.9Very high96.1Very high0 Ų019.7 Ų19.70%012%0.116CC..EExtended strand (participates in β ladder)trans-155145.6-176.864.60000110.5L251 S252 V253 V254 V298 V370 A371 I377 V381L251-V296 HydrophobicContact CD2-CG1 4.06Å; L251-V296 HydrophobicContact CG-CG1 4.36Å; S252-V296 PolarHBondContact O-N 3Å; V253-V296 WeakPolarHBondContact CA-O 3.28Å; V253-V296 HydrophobicContact CB-CG1 4.14Å; V253-V296 HydrophobicContact CG1-CG1 4.15Å; V253-V296 HydrophobicContact CG2-CG1 3.65Å; V254-V296 PolarHBondContact N-O 3.24Å; V296-V298 HydrophobicContact CG2-CG2 4.15Å; V296-V370 HydrophobicContact CG2-CG1 3.39Å; V296-A371 WeakPolarHBondContact CA-O 3.24Å; V296-A371 WeakPolarHBondContact CG2-O 3.28Å; V296-I377 HydrophobicContact CB-CG2 3.98Å; V296-I377 HydrophobicContact CG1-CG2 4.29Å; V296-V381 HydrophobicContact CG1-CG2 3.99Å; V296-V381 HydrophobicContact CG2-CG2 4.33Å
297Y98.3Very high96.1Very high3 Ų320 Ų201%0.01212%0.117CC..EExtended strand (participates in β ladder)trans-108.5128.3166167.4-148.8000108.5V254 K285 I286 L299 L369 V370 A371V254-Y297 HydrophobicContact CG1-CD2 4.35Å; V254-Y297 HydrophobicContact CG1-CG 4.27Å; V254-Y297 WeakPolarHBondContact O-CA 3.3Å; V254-Y297 WeakPolarHBondContact O-CD2 3.24Å; K285-Y297 HydrophobicContact CB-CD1 3.84Å; K285-Y297 HydrophobicContact CB-CD2 4.06Å; K285-Y297 HydrophobicContact CB-CE1 3.9Å; K285-Y297 HydrophobicContact CB-CE2 4.2Å; K285-Y297 HydrophobicContact CB-CG 3.93Å; K285-Y297 HydrophobicContact CD-CD2 3.98Å; K285-Y297 HydrophobicContact CD-CE2 3.6Å; K285-Y297 VanDerWaalsContact CE-OH 3.23Å; K285-Y297 WeakPolarHBondContact CE-OH 3.32Å; I286-Y297 HydrophobicContact CG1-CD1 3.63Å; I286-Y297 HydrophobicContact CG1-CE1 3.89Å; Y297-L299 HydrophobicContact CE2-CB 3.89Å; Y297-L369 HydrophobicContact CD1-CD1 3.8Å; Y297-L369 HydrophobicContact CE1-CD1 3.61Å; Y297-V370 CarbonylContact O-C 3.59Å; Y297-V370 VanDerWaalsContact O-CA 3.29Å; Y297-V370 WeakPolarHBondContact O-CA 3.42Å; Y297-A371 HydrophobicContact CD1-CB 4.3Å; Y297-A371 PolarHBondContact N-O 3.09Å; Y297-A371 PolarHBondContact O-N 2.95Å
298V98Very high96.1Very high0 Ų020.6 Ų20.60%012%0.12CC..EExtended strand (participates in β ladder)trans-117133.4174.2-179.20000109.7V253 V254 M255 V263 L267 V296 L326 V370 V381 L385V253-V298 HydrophobicContact CG1-CB 4.44Å; V253-V298 HydrophobicContact CG1-CG2 4.11Å; V254-V298 PolarHBondContact O-N 3.23Å; M255-V298 WeakPolarHBondContact CB-O 3.33Å; V263-V298 HydrophobicContact CG1-CG1 4.2Å; L267-V298 HydrophobicContact CD1-CB 4.2Å; L267-V298 HydrophobicContact CD1-CG1 4.23Å; L267-V298 HydrophobicContact CD1-CG2 3.95Å; V296-V298 HydrophobicContact CG2-CG2 4.15Å; V298-L326 HydrophobicContact CG1-CD2 4.38Å; V298-V370 HydrophobicContact CG2-CG1 4.36Å; V298-V370 HydrophobicContact CG2-CG2 4.49Å; V298-V381 HydrophobicContact CG2-CG1 3.72Å; V298-L385 HydrophobicContact CG1-CD1 4.08Å
299L97.7Very high96.2Very high6 Ų620.5 Ų20.53%0.03112%0.12CC..EExtended strand (participates in β ladder)trans-133.8123.5169.6175.767.1000109E259 Y297 E301 T304 G368 L369E259-L299 WeakPolarHBondContact OE2-CA 3.28Å; Y297-L299 HydrophobicContact CE2-CB 3.89Å; L299-E301 HydrophobicContact CD1-CB 4.37Å; L299-E301 WeakPolarHBondContact CD2-O 3.43Å; L299-E301 WeakPolarHBondContact CG-O 3.39Å; L299-T304 HydrophobicContact CD2-CG2 3.38Å; L299-G368 CarbonylContact O-C 3.47Å; L299-G368 VanDerWaalsContact O-CA 3.28Å; L299-G368 WeakPolarHBondContact O-CA 3.38Å; L299-L369 HydrophobicContact CB-CD1 4.24Å; L299-L369 HydrophobicContact CB-CG 4.17Å; L299-L369 HydrophobicContact CD2-CG 4.31Å; L299-L369 PolarHBondContact N-O 3.06Å; L299-L369 PolarHBondContact O-N 2.83Å
300S96.1Very high96.2Very high13 Ų1320.5 Ų20.59%0.09112%0.12CC..  trans-92.1-15.7179.283.80000115.1E259 K260E259-S300 WeakPolarHBondContact OE1-CB 3.47Å; E259-S300 PolarHBondContact OE1-OG 3.08Å; E259-S300 PolarHBondContact OE2-N 3.44Å; K260-S300 PolarHBondContact NZ-OG 3.24Å
301E93.9Very high96.3Very high87 Ų8720.5 Ų20.541%0.40712%0.12SC..SBendtrans-96.8151.5-178.1-66.7-63.4165.800112K260 L299 S303 G368K260-E301 WeakPolarHBondContact CE-OE1 3.46Å; K260-E301 VanDerWaalsContact NZ-CD 3.26Å; K260-E301 IonicContact NZ-OE1 3.59Å; K260-E301 PolarHBondContact NZ-OE1 2.92Å; K260-E301 IonicContact NZ-OE2 3.78Å; L299-E301 HydrophobicContact CD1-CB 4.37Å; L299-E301 WeakPolarHBondContact CD2-O 3.43Å; L299-E301 WeakPolarHBondContact CG-O 3.39Å; E301-S303 PolarHBondContact O-N 3.46Å; E301-G368 WeakPolarHBondContact O-CA 3.42Å
302G92.3Very high96.5Very high26 Ų2618 Ų1827%0.26811%0.107SC..SBendtrans-75.831.9173.100000114.3T304 N365G302-T304 VanDerWaalsContact C-N 3.31Å; G302-T304 PolarHBondContact O-N 2.99Å; G302-N365 VanDerWaalsContact CA-O 3.32Å; G302-N365 WeakPolarHBondContact CA-O 3.3Å
303S92.9Very high96.7Very high76 Ų7617.4 Ų17.453%0.53110%0.101SC..  trans-94.120.7-171.173.60000113.5E301E301-S303 PolarHBondContact O-N 3.46Å
304T96.8Very high97Very high4 Ų415.8 Ų15.83%0.0259%0.092CC..  trans-127.6157.1172.853.30000109.3A282 L299 G302 D308 A364 N365 L369A282-T304 HydrophobicContact CB-CG2 3.78Å; L299-T304 HydrophobicContact CD2-CG2 3.38Å; G302-T304 VanDerWaalsContact C-N 3.31Å; G302-T304 PolarHBondContact O-N 2.99Å; T304-D308 WeakPolarHBondContact CA-OD2 3.24Å; T304-D308 VanDerWaalsContact CB-OD2 3.29Å; T304-D308 WeakPolarHBondContact CB-OD2 3.43Å; T304-A364 CarbonylContact O-C 3.54Å; T304-A364 WeakPolarHBondContact O-CA 3.48Å; T304-N365 PolarHBondContact O-N 3.1Å; T304-N365 PolarHBondContact OG1-ND2 2.65Å; T304-L369 HydrophobicContact CG2-CD2 4.49Å; T304-L369 VanDerWaalsContact OG1-CD2 3.31Å; T304-L369 WeakPolarHBondContact OG1-CD2 3.28Å
305F97.8Very high97.2Very high35 Ų3515.7 Ų15.715%0.1549%0.092CC..BIsolated β-bridgetrans-122.8178.2-174.6-59.3-94.1000111.6W307 D308 S309 A360 W363 A364 N365F305-W307 VanDerWaalsContact C-N 3.27Å; F305-W307 HydrophobicContact CB-CD2 3.62Å; F305-W307 HydrophobicContact CB-CE3 4.02Å; F305-W307 HydrophobicContact CB-CG 4.21Å; F305-W307 HydrophobicContact CB-CH2 3.83Å; F305-W307 HydrophobicContact CB-CZ2 3.4Å; F305-W307 HydrophobicContact CB-CZ3 4.13Å; F305-W307 AromaticContact CD1-CH2 3.68Å; F305-W307 HydrophobicContact CD1-CH2 3.68Å; F305-W307 AromaticContact CD1-CZ2 3.59Å; F305-W307 HydrophobicContact CD1-CZ2 3.59Å; F305-W307 AromaticContact CD2-CZ2 3.76Å; F305-W307 HydrophobicContact CD2-CZ2 3.76Å; F305-W307 HydrophobicContact CE1-CH2 4.44Å; F305-W307 HydrophobicContact CE1-CZ2 4.3Å; F305-W307 HydrophobicContact CE2-CZ2 4.44Å; F305-W307 HydrophobicContact CG-CD2 4.45Å; F305-W307 AromaticContact CG-CE2 3.65Å; F305-W307 AromaticContact CG-CH2 3.81Å; F305-W307 HydrophobicContact CG-CH2 3.81Å; F305-W307 AromaticContact CG-CZ2 3.29Å; F305-W307 HydrophobicContact CG-CZ2 3.29Å; F305-W307 PolarHBondContact O-N 3.07Å; F305-D308 PolarHBondContact N-OD2 3.43Å; F305-D308 PolarHBondContact O-N 3.28Å; F305-S309 PolarHBondContact O-OG 2.98Å; F305-A360 WeakPolarHBondContact CD1-O 2.9Å; F305-A360 HydrophobicContact CE1-CB 4.05Å; F305-A360 WeakPolarHBondContact CE1-O 2.97Å; F305-W363 CarbonylContact C-O 3.54Å; F305-W363 VanDerWaalsContact CA-O 3.32Å; F305-W363 WeakPolarHBondContact CA-O 3.36Å; F305-A364 HydrophobicContact CD1-CB 3.94Å; F305-A364 HydrophobicContact CE1-CB 3.83Å; F305-N365 PolarHBondContact O-ND2 2.69Å; F305-N365 VanDerWaalsContact O-ND2 3.08Å
306K98.4Very high97.3Very high11 Ų1113.4 Ų13.45%0.0488%0.079CC..Hα-helixtrans-59.8-37.6178.2-63.2-41.2172.7-179.10112.3W153 S309 C310 T349 Y350 W363 N365W153-K306 HydrophobicContact CD2-CB 3.81Å; W153-K306 HydrophobicContact CE3-CB 4.42Å; W153-K306 HydrophobicContact CG-CB 4.06Å; W153-K306 HydrophobicContact CZ2-CB 4.03Å; W153-K306 HydrophobicContact CZ2-CG 4.31Å; K306-S309 PolarHBondContact O-N 3.23Å; K306-C310 WeakPolarHBondContact O-CB 3.3Å; K306-C310 PolarHBondContact O-N 2.62Å; K306-T349 WeakPolarHBondContact CE-O 3.39Å; K306-T349 PolarHBondContact NZ-O 3.49Å; K306-Y350 HydrophobicContact CB-CD1 3.92Å; K306-Y350 HydrophobicContact CD-CD1 3.79Å; K306-Y350 HydrophobicContact CD-CE1 4.18Å; K306-Y350 HydrophobicContact CG-CD1 4.23Å; K306-W363 HydrophobicContact CB-CB 4.49Å; K306-W363 HydrophobicContact CG-CB 4.04Å; K306-W363 HydrophobicContact CG-CE3 3.93Å; K306-W363 WeakPolarHBondContact CG-O 3.4Å; K306-W363 PolarHBondContact N-O 3.08Å; K306-N365 PolarHBondContact NZ-OD1 2.89Å
307W98.4Very high97.4Very high7 Ų715.3 Ų15.33%0.0279%0.087CC..Hα-helixtrans-66.1-40.3177.949.386.1000113.7E79 W153 I154 D155 F305 S309 A360 W363E79-W307 HydrophobicContact CB-CD2 3.96Å; E79-W307 HydrophobicContact CB-CG 4.05Å; E79-W307 HydrophobicContact CB-CZ2 4.22Å; E79-W307 HydrophobicContact CG-CZ2 4.01Å; W153-W307 HydrophobicContact CB-CB 4.49Å; W153-W307 HydrophobicContact CE3-CB 4.4Å; W153-W307 AromaticContact CE3-CE3 3.82Å; W153-W307 HydrophobicContact CE3-CE3 3.82Å; W153-W307 HydrophobicContact CH2-CE3 4.49Å; W153-W307 AromaticContact CZ3-CE3 3.62Å; W153-W307 HydrophobicContact CZ3-CE3 3.62Å; W153-W307 AromaticContact CZ3-CZ3 3.97Å; W153-W307 HydrophobicContact CZ3-CZ3 3.97Å; I154-W307 WeakPolarHBondContact O-CB 3.45Å; D155-W307 HydrophobicContact CB-CB 4.06Å; F305-W307 VanDerWaalsContact C-N 3.27Å; F305-W307 HydrophobicContact CB-CD2 3.62Å; F305-W307 HydrophobicContact CB-CE3 4.02Å; F305-W307 HydrophobicContact CB-CG 4.21Å; F305-W307 HydrophobicContact CB-CH2 3.83Å; F305-W307 HydrophobicContact CB-CZ2 3.4Å; F305-W307 HydrophobicContact CB-CZ3 4.13Å; F305-W307 AromaticContact CD1-CH2 3.68Å; F305-W307 HydrophobicContact CD1-CH2 3.68Å; F305-W307 AromaticContact CD1-CZ2 3.59Å; F305-W307 HydrophobicContact CD1-CZ2 3.59Å; F305-W307 AromaticContact CD2-CZ2 3.76Å; F305-W307 HydrophobicContact CD2-CZ2 3.76Å; F305-W307 HydrophobicContact CE1-CH2 4.44Å; F305-W307 HydrophobicContact CE1-CZ2 4.3Å; F305-W307 HydrophobicContact CE2-CZ2 4.44Å; F305-W307 HydrophobicContact CG-CD2 4.45Å; F305-W307 AromaticContact CG-CE2 3.65Å; F305-W307 AromaticContact CG-CH2 3.81Å; F305-W307 HydrophobicContact CG-CH2 3.81Å; F305-W307 AromaticContact CG-CZ2 3.29Å; F305-W307 HydrophobicContact CG-CZ2 3.29Å; F305-W307 PolarHBondContact O-N 3.07Å; W307-S309 PolarHBondContact O-N 2.93Å; W307-S309 VanDerWaalsContact O-N 3.15Å; W307-A360 HydrophobicContact CH2-CB 4.04Å; W307-A360 HydrophobicContact CZ2-CB 4.44Å; W307-W363 HydrophobicContact CE3-CB 4.49Å; W307-W363 HydrophobicContact CH2-CB 4.26Å; W307-W363 HydrophobicContact CZ3-CB 3.73Å; W307-W363 HydrophobicContact CZ3-CG 4.2Å
308D98.5Very high97.3Very high14 Ų1415.8 Ų15.88%0.0759%0.091CC..Hα-helixtrans-60.8-27.2177.4-54.8-20.5000113.9L187 A282 T304 F305L187-D308 WeakPolarHBondContact CD1-O 3.32Å; A282-D308 HydrophobicContact CB-CB 3.95Å; T304-D308 WeakPolarHBondContact CA-OD2 3.24Å; T304-D308 VanDerWaalsContact CB-OD2 3.29Å; T304-D308 WeakPolarHBondContact CB-OD2 3.43Å; F305-D308 PolarHBondContact N-OD2 3.43Å; F305-D308 PolarHBondContact O-N 3.28Å
309S98.6Very high97.2Very high0 Ų016.3 Ų16.30%09%0.093CC..Hα-helixtrans-119.7-28.4-162.756.10000114.3F305 K306 W307 G311 H313 Y350 N365F305-S309 PolarHBondContact O-OG 2.98Å; K306-S309 PolarHBondContact O-N 3.23Å; W307-S309 PolarHBondContact O-N 2.93Å; W307-S309 VanDerWaalsContact O-N 3.15Å; S309-G311 PolarHBondContact O-N 3.37Å; S309-H313 WeakPolarHBondContact O-CB 3.48Å; S309-H313 PolarHBondContact O-N 3.17Å; S309-Y350 PolarHBondContact O-OH 3.49Å; S309-Y350 WeakPolarHBondContact OG-CE1 3.28Å; S309-N365 PolarHBondContact OG-ND2 2.71Å
310C98.8Very high97Very high0 Ų016.9 Ų16.90%010%0.101CC..Hα-helixtrans-59.2-51.5-173-1720000113.1W153 K306 H313 A314 Y350W153-C310 HydrophobicContact CB-CB 3.95Å; W153-C310 HydrophobicContact CG-CB 4.37Å; K306-C310 WeakPolarHBondContact O-CB 3.3Å; K306-C310 PolarHBondContact O-N 2.62Å; C310-H313 PolarHBondContact O-N 3.47Å; C310-A314 PolarHBondContact O-N 3.42Å; C310-Y350 HydrophobicContact CB-CD1 3.47Å; C310-Y350 VanDerWaalsContact CB-CD1 3.47Å; C310-Y350 HydrophobicContact CB-CE1 3.51Å; C310-Y350 HydrophobicContact CB-CG 4.04Å
311G98.6Very high97Very high0 Ų016.6 Ų16.60%010%0.1CC..Hα-helixtrans-61.9-56.5179.100000111.7G189 S309 H313 A314 L315G189-G311 VanDerWaalsContact CA-CA 3.41Å; S309-G311 PolarHBondContact O-N 3.37Å; G311-H313 VanDerWaalsContact C-N 3.29Å; G311-H313 PolarHBondContact O-N 2.85Å; G311-A314 WeakPolarHBondContact O-CB 3.35Å; G311-A314 PolarHBondContact O-N 3.43Å; G311-L315 WeakPolarHBondContact O-CD1 3.38Å; G311-L315 PolarHBondContact O-N 2.75Å
312P98.8Very high97.1Very high0 Ų012.5 Ų12.50%08%0.081CC..Hα-helixtrans-58.3-35.2177.3-26.735.1000114.7L187 I203 I286 I290 L315 L316L187-P312 HydrophobicContact CD1-CG 4.24Å; L187-P312 HydrophobicContact CD2-CG 4.11Å; I203-P312 HydrophobicContact CD1-CB 3.95Å; I203-P312 HydrophobicContact CD1-CG 3.83Å; I203-P312 HydrophobicContact CG1-CG 4.15Å; I286-P312 HydrophobicContact CB-CB 3.79Å; I286-P312 HydrophobicContact CD1-CB 3.96Å; I286-P312 HydrophobicContact CD1-CG 4.24Å; I286-P312 HydrophobicContact CG1-CB 4.46Å; I286-P312 HydrophobicContact CG2-CB 3.36Å; I290-P312 HydrophobicContact CD1-CB 4.31Å; P312-L315 WeakPolarHBondContact O-CB 3.32Å; P312-L315 PolarHBondContact O-N 3.33Å; P312-L316 PolarHBondContact O-N 3.41Å; P312-L316 VanDerWaalsContact O-N 3.07Å
313H98.8Very high97.4Very high0 Ų011.2 Ų11.20%07%0.068CC..Hα-helixtrans-64.4-40.9176.8-171-177.5000111.6P198 S309 C310 G311 L315 L316 R317 M323 E347 Y350P198-H313 HydrophobicContact CG-CB 4.16Å; S309-H313 WeakPolarHBondContact O-CB 3.48Å; S309-H313 PolarHBondContact O-N 3.17Å; C310-H313 PolarHBondContact O-N 3.47Å; G311-H313 VanDerWaalsContact C-N 3.29Å; G311-H313 PolarHBondContact O-N 2.85Å; H313-L315 VanDerWaalsContact C-N 3.28Å; H313-L315 PolarHBondContact O-N 3.11Å; H313-L316 PolarHBondContact O-N 3.24Å; H313-L316 VanDerWaalsContact O-N 3.14Å; H313-R317 PolarHBondContact O-N 3.03Å; H313-M323 HydrophobicContact CB-CB 4.33Å; H313-M323 HydrophobicContact CB-CE 3.98Å; H313-M323 PolarHBondContact CD2-N 3.42Å; H313-M323 VanDerWaalsContact CD2-N 3.32Å; H313-M323 PolarHBondContact CE1-O 3.21Å; H313-M323 VanDerWaalsContact CE1-O 3.25Å; H313-M323 PolarHBondContact NE2-N 2.98Å; H313-E347 IonicContact CE1-OE2 3.66Å; H313-E347 IonicContact NE2-OE2 2.86Å; H313-E347 PolarHBondContact NE2-OE2 2.98Å; H313-Y350 HydrophobicContact CB-CE2 4.48Å; H313-Y350 VanDerWaalsContact CB-OH 3.31Å; H313-Y350 WeakPolarHBondContact CB-OH 3.29Å; H313-Y350 AromaticContact ND1-CE2 3.49Å; H313-Y350 WeakPolarHBondContact ND1-CE2 3.24Å; H313-Y350 AromaticContact ND1-CZ 3.65Å; H313-Y350 PolarHBondContact ND1-OH 3.47Å
314A98.4Very high97.6Very high0 Ų07.7 Ų7.70%04%0.044CC..Hα-helixtrans-58.9-38.4174.400000112.6P198 C310 G311 R317 A318P198-A314 HydrophobicContact CB-CB 4.19Å; C310-A314 PolarHBondContact O-N 3.42Å; G311-A314 WeakPolarHBondContact O-CB 3.35Å; G311-A314 PolarHBondContact O-N 3.43Å; A314-R317 PolarHBondContact O-N 2.56Å; A314-A318 WeakPolarHBondContact O-CB 3.46Å; A314-A318 PolarHBondContact O-N 2.94Å
315L98.4Very high97.6Very high0 Ų08.6 Ų8.60%05%0.048CC..Hα-helixtrans-65-44.1174.5-81.377.4000111.7G201 I203 F220 I290 G311 P312 H313 R317 A318 L319G201-L315 WeakPolarHBondContact O-CD1 3.43Å; I203-L315 HydrophobicContact CD1-CD2 3.97Å; I203-L315 HydrophobicContact CG1-CD1 4.4Å; I203-L315 HydrophobicContact CG1-CD2 4.26Å; F220-L315 HydrophobicContact CB-CD2 3.75Å; I290-L315 HydrophobicContact CD1-CB 3.68Å; I290-L315 HydrophobicContact CD1-CD2 4.1Å; I290-L315 HydrophobicContact CD1-CG 4.49Å; I290-L315 HydrophobicContact CG1-CB 4.29Å; I290-L315 HydrophobicContact CG2-CD2 4.35Å; G311-L315 WeakPolarHBondContact O-CD1 3.38Å; G311-L315 PolarHBondContact O-N 2.75Å; P312-L315 WeakPolarHBondContact O-CB 3.32Å; P312-L315 PolarHBondContact O-N 3.33Å; H313-L315 VanDerWaalsContact C-N 3.28Å; H313-L315 PolarHBondContact O-N 3.11Å; L315-R317 VanDerWaalsContact C-N 3.35Å; L315-R317 PolarHBondContact O-N 2.69Å; L315-A318 PolarHBondContact O-N 3.23Å; L315-L319 WeakPolarHBondContact O-CG 3.48Å; L315-L319 PolarHBondContact O-N 3.03Å; L315-L319 VanDerWaalsContact O-N 3.16Å
316L98.2Very high97.4Very high0 Ų07 Ų70%04%0.041CC..Hα-helixtrans-59.5-45176-72171.1000111.7I286 V289 I290 P312 H313 A318 L319 G320 G321 M323 A371 L373I286-L316 HydrophobicContact CG2-CD1 3.7Å; I286-L316 HydrophobicContact CG2-CG 4.31Å; V289-L316 HydrophobicContact CB-CD2 4.5Å; V289-L316 HydrophobicContact CG1-CD2 3.98Å; I290-L316 HydrophobicContact CD1-CG 4.36Å; I290-L316 HydrophobicContact CG1-CD2 3.59Å; I290-L316 HydrophobicContact CG1-CG 3.85Å; P312-L316 PolarHBondContact O-N 3.41Å; P312-L316 VanDerWaalsContact O-N 3.07Å; H313-L316 PolarHBondContact O-N 3.24Å; H313-L316 VanDerWaalsContact O-N 3.14Å; L316-A318 VanDerWaalsContact C-N 3.34Å; L316-A318 PolarHBondContact O-N 3.19Å; L316-L319 CarbonylContact O-C 3.59Å; L316-L319 PolarHBondContact O-N 3.23Å; L316-L319 VanDerWaalsContact O-N 3.08Å; L316-G320 PolarHBondContact O-N 3.07Å; L316-G321 CarbonylContact O-C 3.58Å; L316-G321 WeakPolarHBondContact O-CA 3.42Å; L316-G321 PolarHBondContact O-N 2.93Å; L316-M323 HydrophobicContact CD1-CE 3.99Å; L316-A371 HydrophobicContact CD1-CB 3.79Å; L316-L373 HydrophobicContact CD2-CD2 3.62Å; L316-L373 HydrophobicContact CD2-CG 4.01Å
317R97.3Very high97.2Very high40 Ų4012.4 Ų12.415%0.1517%0.065CC..Hα-helixtrans-60.6-42.1176.7-71.4179.865.767.6-0.4112.3E197 H313 A314 L315 L319 G320 G321 E347E197-R317 IonicContact OE1-CZ 3.04Å; E197-R317 IonicContact OE1-NE 2.64Å; E197-R317 IonicContact OE1-NH2 2.67Å; E197-R317 PolarHBondContact OE1-NH2 3Å; H313-R317 PolarHBondContact O-N 3.03Å; A314-R317 PolarHBondContact O-N 2.56Å; L315-R317 VanDerWaalsContact C-N 3.35Å; L315-R317 PolarHBondContact O-N 2.69Å; R317-L319 PolarHBondContact O-N 3.01Å; R317-G320 PolarHBondContact O-N 3.46Å; R317-G321 WeakPolarHBondContact CA-O 3.22Å; R317-E347 IonicContact CZ-OE2 2.73Å; R317-E347 IonicContact NH1-OE1 3.49Å; R317-E347 PolarHBondContact NH1-OE1 2.93Å; R317-E347 IonicContact NH1-OE2 2.73Å; R317-E347 PolarHBondContact NH1-OE2 3.24Å
318A96.6Very high96.9Very high12 Ų1217.2 Ų17.210%0.0999%0.088CC..Hα-helixtrans-60.8-29.8176.200000112.4V223 A230 C231 A314 L315 L316V223-A318 WeakPolarHBondContact O-CB 3.38Å; A230-A318 WeakPolarHBondContact O-CB 3.47Å; C231-A318 HydrophobicContact CB-CB 4.14Å; A314-A318 WeakPolarHBondContact O-CB 3.46Å; A314-A318 PolarHBondContact O-N 2.94Å; L315-A318 PolarHBondContact O-N 3.23Å; L316-A318 VanDerWaalsContact C-N 3.34Å; L316-A318 PolarHBondContact O-N 3.19Å
319L95.8Very high96.6Very high11 Ų1117.5 Ų17.56%0.0589%0.09CC..THydrogen-bonded Turntrans-88.51176.2-64.3173.5000114C231 V233 R235 I290 L315 L316 R317 L373C231-L319 HydrophobicContact CB-CD2 3.91Å; C231-L319 HydrophobicContact CB-CG 4.32Å; V233-L319 WeakPolarHBondContact O-CD2 3.45Å; R235-L319 HydrophobicContact CB-CD2 4.29Å; I290-L319 HydrophobicContact CG2-CD1 3.92Å; L315-L319 WeakPolarHBondContact O-CG 3.48Å; L315-L319 PolarHBondContact O-N 3.03Å; L315-L319 VanDerWaalsContact O-N 3.16Å; L316-L319 CarbonylContact O-C 3.59Å; L316-L319 PolarHBondContact O-N 3.23Å; L316-L319 VanDerWaalsContact O-N 3.08Å; R317-L319 PolarHBondContact O-N 3.01Å; L319-L373 HydrophobicContact CB-CD2 3.5Å; L319-L373 HydrophobicContact CD1-CD2 3.92Å; L319-L373 HydrophobicContact CG-CD2 4.37Å
320G93.6Very high96.3Very high19 Ų1918.8 Ų18.820%0.19610%0.097CC..THydrogen-bonded Turntrans85.87-179.100000114.9L316 R317L316-G320 PolarHBondContact O-N 3.07Å; R317-G320 PolarHBondContact O-N 3.46Å
321G95.6Very high95.7Very high7 Ų725 Ų257%0.07213%0.126CC..  trans-90.4-157.4169.500000112.9L316 R317 Y372L316-G321 CarbonylContact O-C 3.58Å; L316-G321 WeakPolarHBondContact O-CA 3.42Å; L316-G321 PolarHBondContact O-N 2.93Å; R317-G321 WeakPolarHBondContact CA-O 3.22Å; G321-Y372 CarbonylContact C-O 3.48Å; G321-Y372 WeakPolarHBondContact CA-O 3.29Å
322G96.9Very high94.9Very high0 Ų028.3 Ų28.30%015%0.149CC..EExtended strand (participates in β ladder)trans-177.4-174.317800000112.2Y372G322-Y372 VanDerWaalsContact C-CE1 3.49Å; G322-Y372 PolarHBondContact N-O 3.3Å; G322-Y372 VanDerWaalsContact O-CD1 3.26Å; G322-Y372 WeakPolarHBondContact O-CD1 2.99Å; G322-Y372 WeakPolarHBondContact O-CE1 3.29Å; G322-Y372 PolarHBondContact O-N 2.95Å
323M97.9Very high92.9Very high0 Ų033.5 Ų33.50%019%0.185CC..EExtended strand (participates in β ladder)trans-139.4125.5175.2-163.3179.3-54.100109.7I286 H313 L316 E347 L348 L369 V370 A371I286-M323 HydrophobicContact CD1-CE 3.64Å; I286-M323 HydrophobicContact CD1-SD 4.45Å; I286-M323 HydrophobicContact CG1-CE 3.88Å; I286-M323 HydrophobicContact CG2-CE 3.78Å; H313-M323 HydrophobicContact CB-CB 4.33Å; H313-M323 HydrophobicContact CB-CE 3.98Å; H313-M323 PolarHBondContact CD2-N 3.42Å; H313-M323 VanDerWaalsContact CD2-N 3.32Å; H313-M323 PolarHBondContact CE1-O 3.21Å; H313-M323 VanDerWaalsContact CE1-O 3.25Å; H313-M323 PolarHBondContact NE2-N 2.98Å; L316-M323 HydrophobicContact CD1-CE 3.99Å; M323-E347 VanDerWaalsContact O-CA 3.31Å; M323-E347 WeakPolarHBondContact O-CA 3.08Å; M323-L348 HydrophobicContact CB-CD1 4.42Å; M323-L348 HydrophobicContact CG-CD1 3.79Å; M323-L348 HydrophobicContact CG-CG 4.41Å; M323-L348 PolarHBondContact O-N 3.5Å; M323-L348 HydrophobicContact SD-CD1 3.62Å; M323-L369 HydrophobicContact CG-CB 4.23Å; M323-L369 HydrophobicContact CG-CD1 4.37Å; M323-L369 HydrophobicContact SD-CB 4.4Å; M323-L369 HydrophobicContact SD-CD1 4.08Å; M323-L369 HydrophobicContact SD-CD2 3.81Å; M323-L369 HydrophobicContact SD-CG 4.32Å; M323-V370 WeakPolarHBondContact CA-O 3.49Å; M323-A371 HydrophobicContact CE-CB 3.91Å; M323-A371 HydrophobicContact CG-CB 4.01Å; M323-A371 HydrophobicContact SD-CB 4.44Å
324V97.3Very high90.8Very high2 Ų237.2 Ų37.21%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-116.9153.2-174.6-65.70000112L326 C329 G346 E347 L369 V370 Y372 L378V324-L326 PolarHBondContact O-N 3.32Å; V324-C329 VanDerWaalsContact CG2-SG 3.56Å; V324-G346 CarbonylContact C-O 3.48Å; V324-G346 WeakPolarHBondContact CA-O 3.48Å; V324-G346 VanDerWaalsContact CB-O 3.28Å; V324-G346 WeakPolarHBondContact CB-O 3.22Å; V324-E347 HydrophobicContact CG1-CG 4.11Å; V324-L369 CarbonylContact O-C 3.48Å; V324-L369 VanDerWaalsContact O-CA 3.25Å; V324-L369 WeakPolarHBondContact O-CA 3.32Å; V324-V370 HydrophobicContact CG2-CB 3.94Å; V324-V370 PolarHBondContact N-O 2.99Å; V324-V370 PolarHBondContact O-N 2.76Å; V324-Y372 HydrophobicContact CG1-CE1 4.02Å; V324-Y372 HydrophobicContact CG2-CE1 4.39Å; V324-L378 HydrophobicContact CG1-CD2 4.27Å; V324-L378 HydrophobicContact CG2-CD1 3.61Å; V324-L378 HydrophobicContact CG2-CD2 4.1Å
325D96.3Very high88.2Confident22 Ų2242.6 Ų42.612%0.11826%0.261CS..EExtended strand (participates in β ladder)trans-67.7119.9167-174.6-67.1000109.2K327 E328 C329 G346 L348 G367D325-K327 WeakPolarHBondContact OD1-CA 3.32Å; D325-K327 WeakPolarHBondContact OD1-CB 3.47Å; D325-K327 PolarHBondContact OD1-N 2.95Å; D325-E328 HydrophobicContact CB-CB 4.06Å; D325-E328 HydrophobicContact CB-CG 4Å; D325-E328 PolarHBondContact OD1-N 3.09Å; D325-C329 WeakPolarHBondContact O-CB 3.36Å; D325-C329 PolarHBondContact O-N 3.47Å; D325-C329 VanDerWaalsContact O-N 3.17Å; D325-C329 PolarHBondContact O-SG 2.74Å; D325-G346 PolarHBondContact N-O 3.05Å; D325-L348 HydrophobicContact CB-CD2 3.97Å; D325-G367 WeakPolarHBondContact OD2-CA 2.86Å; D325-G367 PolarHBondContact OD2-N 3.4Å
326L95.6Very high85.3Confident2 Ų245.6 Ų45.61%0.0128%0.282CS..Hα-helixtrans-64.7-44.9-175.7171.864.5000110.9V298 V324 C329 L330 G368 V370 I382 L385 F389V298-L326 HydrophobicContact CG1-CD2 4.38Å; V324-L326 PolarHBondContact O-N 3.32Å; L326-C329 WeakPolarHBondContact O-CB 3.44Å; L326-C329 PolarHBondContact O-N 3.2Å; L326-L330 HydrophobicContact CD1-CD1 3.97Å; L326-L330 HydrophobicContact CD1-CD2 4.46Å; L326-L330 HydrophobicContact CD1-CG 4.08Å; L326-L330 HydrophobicContact CG-CD1 3.9Å; L326-L330 HydrophobicContact CG-CG 4.42Å; L326-L330 VanDerWaalsContact O-CG 3.26Å; L326-L330 WeakPolarHBondContact O-CG 3.3Å; L326-L330 PolarHBondContact O-N 2.98Å; L326-G368 PolarHBondContact N-O 3.49Å; L326-V370 HydrophobicContact CB-CG2 4.1Å; L326-V370 HydrophobicContact CD1-CG2 3.61Å; L326-V370 HydrophobicContact CG-CG2 4.34Å; L326-I382 HydrophobicContact CD1-CD1 3.61Å; L326-L385 HydrophobicContact CD1-CD1 3.78Å; L326-F389 HydrophobicContact CD2-CE2 4.25Å; L326-F389 HydrophobicContact CD2-CZ 4.1Å
327K93.6Very high82.4Confident124 Ų12454.8 Ų54.854%0.53933%0.325SS..Hα-helixtrans-64.4-46.2-176.3-170.1177.6-179.3-178.30110.6D325 C329 L330 H331 G367D325-K327 WeakPolarHBondContact OD1-CA 3.32Å; D325-K327 WeakPolarHBondContact OD1-CB 3.47Å; D325-K327 PolarHBondContact OD1-N 2.95Å; K327-C329 VanDerWaalsContact C-N 3.3Å; K327-C329 PolarHBondContact O-N 3.32Å; K327-L330 PolarHBondContact O-N 3.45Å; K327-H331 PolarHBondContact O-N 2.99Å; K327-H331 VanDerWaalsContact O-N 3.12Å; K327-H331 PolarHBondContact O-ND1 3.48Å; K327-G367 PolarHBondContact N-O 3.41Å; K327-G367 VanDerWaalsContact N-O 3.13Å
328E92.1Very high79.6Confident109 Ų10958.1 Ų58.151%0.50935%0.353SS..Hα-helixtrans-58.8-42.4175.8-67.8-172.8172.300112D325 L330 H331 S332D325-E328 HydrophobicContact CB-CB 4.06Å; D325-E328 HydrophobicContact CB-CG 4Å; D325-E328 PolarHBondContact OD1-N 3.09Å; E328-L330 VanDerWaalsContact C-N 3.32Å; E328-L330 PolarHBondContact O-N 3.08Å; E328-H331 PolarHBondContact O-N 2.85Å; E328-S332 WeakPolarHBondContact O-CB 3.48Å; E328-S332 PolarHBondContact O-N 3.18Å; E328-S332 PolarHBondContact O-OG 2.88Å
329C91.8Very high76.5Confident20 Ų2066.7 Ų66.714%0.13539%0.391CS..Hα-helixtrans-62.3-36.7176.7-70.70000113V324 D325 L326 K327 I382V324-C329 VanDerWaalsContact CG2-SG 3.56Å; D325-C329 WeakPolarHBondContact O-CB 3.36Å; D325-C329 PolarHBondContact O-N 3.47Å; D325-C329 VanDerWaalsContact O-N 3.17Å; D325-C329 PolarHBondContact O-SG 2.74Å; L326-C329 WeakPolarHBondContact O-CB 3.44Å; L326-C329 PolarHBondContact O-N 3.2Å; K327-C329 VanDerWaalsContact C-N 3.3Å; K327-C329 PolarHBondContact O-N 3.32Å; C329-I382 HydrophobicContact CB-CD1 3.62Å; C329-I382 HydrophobicContact CB-CG1 4.03Å; C329-I382 HydrophobicContact CB-CG2 4.23Å
330L91.6Very high73.3Confident26 Ų2669.8 Ų69.814%0.13643%0.426CS..Hα-helixtrans-71.1-37.1179-67.2168.2000112.4L326 K327 E328 I382 L385 K386 F389L326-L330 HydrophobicContact CD1-CD1 3.97Å; L326-L330 HydrophobicContact CD1-CD2 4.46Å; L326-L330 HydrophobicContact CD1-CG 4.08Å; L326-L330 HydrophobicContact CG-CD1 3.9Å; L326-L330 HydrophobicContact CG-CG 4.42Å; L326-L330 VanDerWaalsContact O-CG 3.26Å; L326-L330 WeakPolarHBondContact O-CG 3.3Å; L326-L330 PolarHBondContact O-N 2.98Å; K327-L330 PolarHBondContact O-N 3.45Å; E328-L330 VanDerWaalsContact C-N 3.32Å; E328-L330 PolarHBondContact O-N 3.08Å; L330-I382 HydrophobicContact CD2-CG2 4.31Å; L330-L385 HydrophobicContact CD2-CB 3.69Å; L330-K386 HydrophobicContact CD2-CB 4.35Å; L330-K386 WeakPolarHBondContact O-CE 3.4Å; L330-F389 HydrophobicContact CD1-CE1 4.38Å; L330-F389 HydrophobicContact CD1-CE2 3.95Å; L330-F389 HydrophobicContact CD1-CZ 3.59Å
331H86.3Confident70.5Confident131 Ų13172.3 Ų72.361%0.60645%0.451SS*.Hα-helixtrans-80.3-23.2-178.9-68.881.2000113K327 E328 S333K327-H331 PolarHBondContact O-N 2.99Å; K327-H331 VanDerWaalsContact O-N 3.12Å; K327-H331 PolarHBondContact O-ND1 3.48Å; E328-H331 PolarHBondContact O-N 2.85Å; H331-S333 PolarHBondContact O-N 3.31Å; H331-S333 VanDerWaalsContact O-N 3.15Å
332S82.5Confident68Low70 Ų7079.4 Ų79.449%0.4948%0.482SS..SBendtrans-61.7118177.2-66.70000110.8E328 G334 K386E328-S332 WeakPolarHBondContact O-CB 3.48Å; E328-S332 PolarHBondContact O-N 3.18Å; E328-S332 PolarHBondContact O-OG 2.88Å; S332-G334 PolarHBondContact O-N 2.92Å; S332-K386 PolarHBondContact O-NZ 2.87Å
333S56.4Low65.5Low108 Ų10887.3 Ų87.376%0.75552%0.519SS*.  trans-76102.5176.8-66.40000108.5H331 S335H331-S333 PolarHBondContact O-N 3.31Å; H331-S333 VanDerWaalsContact O-N 3.15Å; S333-S335 PolarHBondContact O-N 2.98Å
334G54.8Low63.3Low78 Ų7893.5 Ų93.580%0.80455%0.553SS**SBendtrans-50.3108.8-17100000113.8S332S332-G334 PolarHBondContact O-N 2.92Å
335S42.9Very low61.5Low114 Ų11499.8 Ų99.880%0.79758%0.582SS**  trans-168.672.8159.5510000110.5S333S333-S335 PolarHBondContact O-N 2.98Å
336S39.1Very low60.8Low62 Ų6299.6 Ų99.643%0.43459%0.585SS.*  trans-127.394.9154.6510000107C338 Q345S336-C338 PolarHBondContact O-N 3.33Å; S336-C338 VanDerWaalsContact O-N 3.11Å; S336-Q345 PolarHBondContact OG-OE1 2.96Å
337H36.5Very low60.8Low194 Ų194101.5 Ų101.590%0.89859%0.594SS**  trans-54.6117.3165-96.2-41.8000108.1Q339H337-Q339 VanDerWaalsContact C-N 3.28Å; H337-Q339 PolarHBondContact O-N 2.95Å
338C38.9Very low60.9Low110 Ų11096 Ų9674%0.74357%0.57SS**  trans-68.586.6173.7-51.30000109.7S336S336-C338 PolarHBondContact O-N 3.33Å; S336-C338 VanDerWaalsContact O-N 3.11Å
339Q31.4Very low61.2Low191 Ų19193.5 Ų93.589%0.89356%0.563SS**  trans-125.389.9156.3-75.9-164.6-7.800107.9H337H337-Q339 VanDerWaalsContact C-N 3.28Å; H337-Q339 PolarHBondContact O-N 2.95Å
340G29.3Very low61.5Low77 Ų7792.5 Ų92.579%0.79456%0.556SS**SBendtrans117.3113.7167.200000114.9
341G34.1Very low61.7Low71 Ų7193.7 Ų93.773%0.73256%0.561SS**  trans83.8126.915800000117.3Q343G341-Q343 PolarHBondContact O-N 3.43Å
342H42.3Very low62Low156 Ų15693.3 Ų93.372%0.72256%0.559SS**SBendtrans-6865.6168.4-93.8-83.6000111.8
343Q44.2Very low62.5Low167 Ų16792.8 Ų92.878%0.7855%0.554SS**  trans-131.6116177.7-96.8178.2-20.600112.8G341G341-Q343 PolarHBondContact O-N 3.43Å
344D52.9Low64Low130 Ų13090.6 Ų90.670%0.69553%0.532SS*.  73.747.7128.7-97.66.4000120
345Q59Low65.5Low133 Ų13393 Ų9362%0.62153%0.531SS*.SBendtrans-118.594.1159.8-67.1-167-7.900111S336S336-Q345 PolarHBondContact OG-OE1 2.96Å
346G82.4Confident67.5Low19 Ų1996.6 Ų96.620%0.19654%0.535CS..SBendtrans85.314.9166.100000116.4V324 D325V324-G346 CarbonylContact C-O 3.48Å; V324-G346 WeakPolarHBondContact CA-O 3.48Å; V324-G346 VanDerWaalsContact CB-O 3.28Å; V324-G346 WeakPolarHBondContact CB-O 3.22Å; D325-G346 PolarHBondContact N-O 3.05Å
347E94.5Very high69.7Low41 Ų4194.8 Ų94.819%0.19252%0.523CS..BIsolated β-bridgetrans-65.6144173.3-79.4-166.3-152.100111.6H313 R317 M323 V324 T349H313-E347 IonicContact CE1-OE2 3.66Å; H313-E347 IonicContact NE2-OE2 2.86Å; H313-E347 PolarHBondContact NE2-OE2 2.98Å; R317-E347 IonicContact CZ-OE2 2.73Å; R317-E347 IonicContact NH1-OE1 3.49Å; R317-E347 PolarHBondContact NH1-OE1 2.93Å; R317-E347 IonicContact NH1-OE2 2.73Å; R317-E347 PolarHBondContact NH1-OE2 3.24Å; M323-E347 VanDerWaalsContact O-CA 3.31Å; M323-E347 WeakPolarHBondContact O-CA 3.08Å; V324-E347 HydrophobicContact CG1-CG 4.11Å; E347-T349 PolarHBondContact O-N 3.1Å
348L96.8Very high71.8Confident9 Ų990.8 Ų90.85%0.04751%0.512CS..  trans-63.1133.5175.8-63-178.8000110.6M323 D325 Y350 L369M323-L348 HydrophobicContact CB-CD1 4.42Å; M323-L348 HydrophobicContact CG-CD1 3.79Å; M323-L348 HydrophobicContact CG-CG 4.41Å; M323-L348 PolarHBondContact O-N 3.5Å; M323-L348 HydrophobicContact SD-CD1 3.62Å; D325-L348 HydrophobicContact CB-CD2 3.97Å; L348-Y350 HydrophobicContact CB-CE2 4.39Å; L348-Y350 WeakPolarHBondContact O-CE2 3.13Å; L348-L369 HydrophobicContact CD1-CB 4.08Å; L348-L369 HydrophobicContact CD1-CD2 4.19Å
349T97.1Very high74Confident56 Ų5688.2 Ų88.234%0.34450%0.504SS..  trans-110.3157.8171.571.20000111.4G196 K306 E347G196-T349 WeakPolarHBondContact O-CA 3.35Å; K306-T349 WeakPolarHBondContact CE-O 3.39Å; K306-T349 PolarHBondContact NZ-O 3.49Å; E347-T349 PolarHBondContact O-N 3.1Å
350Y98Very high76.4Confident0 Ų081.5 Ų81.50%048%0.482CS..SBendtrans-121.54.1-166.6-62.8-81.2000115.2W153 G196 P198 K306 S309 C310 H313 L348W153-Y350 PolarHBondContact NE1-O 3.42Å; G196-Y350 VanDerWaalsContact O-CD2 3.29Å; G196-Y350 WeakPolarHBondContact O-CD2 3.23Å; G196-Y350 PolarHBondContact O-N 2.9Å; P198-Y350 HydrophobicContact CB-CD2 3.94Å; P198-Y350 HydrophobicContact CB-CE2 3.81Å; P198-Y350 HydrophobicContact CG-CD2 4Å; P198-Y350 HydrophobicContact CG-CE2 3.56Å; K306-Y350 HydrophobicContact CB-CD1 3.92Å; K306-Y350 HydrophobicContact CD-CD1 3.79Å; K306-Y350 HydrophobicContact CD-CE1 4.18Å; K306-Y350 HydrophobicContact CG-CD1 4.23Å; S309-Y350 PolarHBondContact O-OH 3.49Å; S309-Y350 WeakPolarHBondContact OG-CE1 3.28Å; C310-Y350 HydrophobicContact CB-CD1 3.47Å; C310-Y350 VanDerWaalsContact CB-CD1 3.47Å; C310-Y350 HydrophobicContact CB-CE1 3.51Å; C310-Y350 HydrophobicContact CB-CG 4.04Å; H313-Y350 HydrophobicContact CB-CE2 4.48Å; H313-Y350 VanDerWaalsContact CB-OH 3.31Å; H313-Y350 WeakPolarHBondContact CB-OH 3.29Å; H313-Y350 AromaticContact ND1-CE2 3.49Å; H313-Y350 WeakPolarHBondContact ND1-CE2 3.24Å; H313-Y350 AromaticContact ND1-CZ 3.65Å; H313-Y350 PolarHBondContact ND1-OH 3.47Å; L348-Y350 HydrophobicContact CB-CE2 4.39Å; L348-Y350 WeakPolarHBondContact O-CE2 3.13Å
351H96.2Very high79.3Confident50 Ų5081.8 Ų81.823%0.23147%0.465CS..SBendtrans-101.2-19.1-172.968.2-50.1000115.3Y191 T195 G196Y191-H351 HydrophobicContact CD2-CB 4.29Å; Y191-H351 HydrophobicContact CE2-CB 3.85Å; T195-H351 PolarHBondContact O-CE1 2.8Å; T195-H351 VanDerWaalsContact O-CE1 3.25Å; G196-H351 VanDerWaalsContact CA-CG 3.49Å; G196-H351 VanDerWaalsContact CA-ND1 3.27Å; G196-H351 WeakPolarHBondContact CA-ND1 3.46Å; G196-H351 PolarHBondContact N-ND1 2.93Å
352Q92.7Very high82Confident123 Ų12381.1 Ų81.158%0.57544%0.443SS*.  trans-114.4128.4-173.3-70.9179.815.400111.3W363Q352-W363 VanDerWaalsContact C-CZ3 3.48Å
353P92.6Very high84.5Confident60 Ų6076 Ų7639%0.3942%0.417SS..  trans-80.7153.6168.932.1-32000111.2T355 H362 W363P353-T355 PolarHBondContact O-N 3.07Å; P353-H362 CarbonylContact C-O 3.55Å; P353-H362 VanDerWaalsContact CA-O 3.23Å; P353-H362 WeakPolarHBondContact CA-O 3.33Å; P353-H362 HydrophobicContact CB-CB 4.1Å; P353-W363 HydrophobicContact CB-CD2 4.21Å; P353-W363 HydrophobicContact CB-CE3 4.08Å; P353-W363 HydrophobicContact CB-CH2 3.78Å; P353-W363 HydrophobicContact CB-CZ2 3.88Å; P353-W363 HydrophobicContact CB-CZ3 3.88Å; P353-W363 HydrophobicContact CG-CH2 4Å; P353-W363 HydrophobicContact CG-CZ2 4.28Å; P353-W363 HydrophobicContact CG-CZ3 4.39Å
354H88.3Confident87Confident62 Ų6268.2 Ų68.229%0.28738%0.381SS..  trans-74.1110.9167-67.4-73.7000109.9E356 S357 H362 A364H354-E356 VanDerWaalsContact C-N 3.27Å; H354-E356 PolarHBondContact O-N 3.15Å; H354-S357 PolarHBondContact O-N 2.66Å; H354-H362 PolarHBondContact N-O 3.29Å; H354-H362 PolarHBondContact O-ND1 2.91Å; H354-A364 PolarHBondContact CD2-O 3.18Å; H354-A364 PolarHBondContact NE2-O 3.23Å
355T85.8Confident89.1Confident128 Ų12862.1 Ų62.179%0.78535%0.349SS*.THydrogen-bonded Turntrans-69.1-20.8-172.150.70000114.7P353P353-T355 PolarHBondContact O-N 3.07Å
356E84.9Confident90.7Very high189 Ų18960.1 Ų60.188%0.88334%0.34SS*.THydrogen-bonded Turntrans-92.4-7.5-176.7-61-173.8170.100113.8H354H354-E356 VanDerWaalsContact C-N 3.27Å; H354-E356 PolarHBondContact O-N 3.15Å
357S85Confident91.2Very high24 Ų2459.7 Ų59.717%0.16834%0.335CS..  trans-86178.2179.4-63.20000111.7H354 D361 H362 Q366H354-S357 PolarHBondContact O-N 2.66Å; S357-D361 VanDerWaalsContact CB-C 3.45Å; S357-D361 WeakPolarHBondContact CB-O 3.31Å; S357-D361 PolarHBondContact OG-O 2.79Å; S357-H362 VanDerWaalsContact C-CE1 3.43Å; S357-H362 PolarHBondContact O-CE1 2.57Å; S357-H362 PolarHBondContact O-ND1 3.48Å; S357-H362 PolarHBondContact O-NE2 3.02Å; S357-Q366 PolarHBondContact OG-NE2 3.28Å
358T80.6Confident91.3Very high110 Ų11057.7 Ų57.768%0.67533%0.325SS*.  trans-135.2145.7174.656.40000110.4D361T358-D361 PolarHBondContact O-N 3.45Å
359G85.6Confident91.3Very high56 Ų5657.3 Ų57.358%0.57732%0.323SS*.G310 helixtrans65.4-139.9177.200000112.5D361 H362G359-D361 PolarHBondContact O-N 3.41Å; G359-H362 PolarHBondContact O-CD2 3.22Å; G359-H362 PolarHBondContact O-N 3.49Å
360A83.3Confident91.4Very high51 Ų5154.6 Ų54.642%0.42131%0.307SS..G310 helixtrans-60.3-27.5-179.700000113.1F305 W307 H362 W363F305-A360 WeakPolarHBondContact CD1-O 2.9Å; F305-A360 HydrophobicContact CE1-CB 4.05Å; F305-A360 WeakPolarHBondContact CE1-O 2.97Å; W307-A360 HydrophobicContact CH2-CB 4.04Å; W307-A360 HydrophobicContact CZ2-CB 4.44Å; A360-H362 PolarHBondContact O-N 3.05Å; A360-W363 PolarHBondContact O-N 3.21Å
361D88.6Confident91.4Very high82 Ų8254.6 Ų54.644%0.43931%0.307SS..G310 helixtrans-63.3-15.3-177.2-66.2-24.7000113.8S357 T358 G359 W363 A364S357-D361 VanDerWaalsContact CB-C 3.45Å; S357-D361 WeakPolarHBondContact CB-O 3.31Å; S357-D361 PolarHBondContact OG-O 2.79Å; T358-D361 PolarHBondContact O-N 3.45Å; G359-D361 PolarHBondContact O-N 3.41Å; D361-W363 PolarHBondContact O-N 2.96Å; D361-A364 PolarHBondContact O-N 2.73Å
362H91.6Very high91.4Very high58 Ų5853.2 Ų53.227%0.26930%0.3SS..G310 helixtrans-55.7-26.4167.5-72.2-61.4000112.6P353 H354 S357 G359 A360P353-H362 CarbonylContact C-O 3.55Å; P353-H362 VanDerWaalsContact CA-O 3.23Å; P353-H362 WeakPolarHBondContact CA-O 3.33Å; P353-H362 HydrophobicContact CB-CB 4.1Å; H354-H362 PolarHBondContact N-O 3.29Å; H354-H362 PolarHBondContact O-ND1 2.91Å; S357-H362 VanDerWaalsContact C-CE1 3.43Å; S357-H362 PolarHBondContact O-CE1 2.57Å; S357-H362 PolarHBondContact O-ND1 3.48Å; S357-H362 PolarHBondContact O-NE2 3.02Å; G359-H362 PolarHBondContact O-CD2 3.22Å; G359-H362 PolarHBondContact O-N 3.49Å; A360-H362 PolarHBondContact O-N 3.05Å
363W95.6Very high91.5Very high47 Ų4748.4 Ų48.418%0.17828%0.278CS..G310 helixtrans-112.310-175.5-60.1113.7000113.1W153 F305 K306 W307 Q352 P353 A360 D361W153-W363 HydrophobicContact CH2-CB 4.44Å; W153-W363 AromaticContact CH2-CD1 3.92Å; W153-W363 AromaticContact CH2-CD2 3.48Å; W153-W363 HydrophobicContact CH2-CD2 3.48Å; W153-W363 VanDerWaalsContact CH2-CD2 3.48Å; W153-W363 AromaticContact CH2-CE2 3.55Å; W153-W363 AromaticContact CH2-CE3 3.93Å; W153-W363 HydrophobicContact CH2-CE3 3.93Å; W153-W363 AromaticContact CH2-CG 3.72Å; W153-W363 HydrophobicContact CH2-CG 3.72Å; W153-W363 HydrophobicContact CH2-CH2 4.39Å; W153-W363 HydrophobicContact CH2-CZ2 4.03Å; W153-W363 HydrophobicContact CH2-CZ3 4.35Å; W153-W363 AromaticContact CH2-NE1 3.82Å; W153-W363 AromaticContact CZ2-CD2 3.61Å; W153-W363 HydrophobicContact CZ2-CD2 3.61Å; W153-W363 AromaticContact CZ2-CE2 3.9Å; W153-W363 AromaticContact CZ2-CE3 3.51Å; W153-W363 HydrophobicContact CZ2-CE3 3.51Å; W153-W363 HydrophobicContact CZ2-CG 4.21Å; W153-W363 AromaticContact CZ2-CH2 3.98Å; W153-W363 HydrophobicContact CZ2-CH2 3.98Å; W153-W363 HydrophobicContact CZ2-CZ2 4.08Å; W153-W363 AromaticContact CZ2-CZ3 3.7Å; W153-W363 HydrophobicContact CZ2-CZ3 3.7Å; F305-W363 CarbonylContact C-O 3.54Å; F305-W363 VanDerWaalsContact CA-O 3.32Å; F305-W363 WeakPolarHBondContact CA-O 3.36Å; K306-W363 HydrophobicContact CB-CB 4.49Å; K306-W363 HydrophobicContact CG-CB 4.04Å; K306-W363 HydrophobicContact CG-CE3 3.93Å; K306-W363 WeakPolarHBondContact CG-O 3.4Å; K306-W363 PolarHBondContact N-O 3.08Å; W307-W363 HydrophobicContact CE3-CB 4.49Å; W307-W363 HydrophobicContact CH2-CB 4.26Å; W307-W363 HydrophobicContact CZ3-CB 3.73Å; W307-W363 HydrophobicContact CZ3-CG 4.2Å; Q352-W363 VanDerWaalsContact C-CZ3 3.48Å; P353-W363 HydrophobicContact CB-CD2 4.21Å; P353-W363 HydrophobicContact CB-CE3 4.08Å; P353-W363 HydrophobicContact CB-CH2 3.78Å; P353-W363 HydrophobicContact CB-CZ2 3.88Å; P353-W363 HydrophobicContact CB-CZ3 3.88Å; P353-W363 HydrophobicContact CG-CH2 4Å; P353-W363 HydrophobicContact CG-CZ2 4.28Å; P353-W363 HydrophobicContact CG-CZ3 4.39Å; A360-W363 PolarHBondContact O-N 3.21Å; D361-W363 PolarHBondContact O-N 2.96Å
364A96.4Very high91.4Very high4 Ų447.7 Ų47.73%0.03327%0.271CS..BIsolated β-bridgetrans-68.7144.9178.400000111.9T304 F305 H354 D361 Q366T304-A364 CarbonylContact O-C 3.54Å; T304-A364 WeakPolarHBondContact O-CA 3.48Å; F305-A364 HydrophobicContact CD1-CB 3.94Å; F305-A364 HydrophobicContact CE1-CB 3.83Å; H354-A364 PolarHBondContact CD2-O 3.18Å; H354-A364 PolarHBondContact NE2-O 3.23Å; D361-A364 PolarHBondContact O-N 2.73Å; A364-Q366 VanDerWaalsContact C-N 3.25Å; A364-Q366 HydrophobicContact CB-CG 4.14Å; A364-Q366 PolarHBondContact O-N 3.07Å; A364-Q366 VanDerWaalsContact O-N 3.08Å
365N96.1Very high91.5Very high2 Ų248 Ų481%0.01128%0.279CS..  trans-82.871.9167.8-60-46.6000108.8G302 T304 F305 K306 S309 G367 G368G302-N365 VanDerWaalsContact CA-O 3.32Å; G302-N365 WeakPolarHBondContact CA-O 3.3Å; T304-N365 PolarHBondContact O-N 3.1Å; T304-N365 PolarHBondContact OG1-ND2 2.65Å; F305-N365 PolarHBondContact O-ND2 2.69Å; F305-N365 VanDerWaalsContact O-ND2 3.08Å; K306-N365 PolarHBondContact NZ-OD1 2.89Å; S309-N365 PolarHBondContact OG-ND2 2.71Å; N365-G367 PolarHBondContact O-N 3.01Å; N365-G367 VanDerWaalsContact O-N 3.1Å; N365-G368 PolarHBondContact O-N 3.39Å
366Q93.2Very high91.7Very high92 Ų9248.4 Ų48.443%0.4327%0.272SS..THydrogen-bonded Turntrans-56.6-30.9-165.1-63.9-176.7-9.200115.2S357 A364 G368S357-Q366 PolarHBondContact OG-NE2 3.28Å; A364-Q366 VanDerWaalsContact C-N 3.25Å; A364-Q366 HydrophobicContact CB-CG 4.14Å; A364-Q366 PolarHBondContact O-N 3.07Å; A364-Q366 VanDerWaalsContact O-N 3.08Å; Q366-G368 PolarHBondContact O-N 3.49Å
367G92.8Very high92Very high9 Ų940.5 Ų40.59%0.09324%0.235CC..THydrogen-bonded Turntrans-79.52178.900000114.7D325 K327 N365D325-G367 WeakPolarHBondContact OD2-CA 2.86Å; D325-G367 PolarHBondContact OD2-N 3.4Å; K327-G367 PolarHBondContact N-O 3.41Å; K327-G367 VanDerWaalsContact N-O 3.13Å; N365-G367 PolarHBondContact O-N 3.01Å; N365-G367 VanDerWaalsContact O-N 3.1Å
368G96Very high92.4Very high0 Ų039.9 Ų39.90%023%0.23CC..  trans70.7-171.7-164.800000111L299 E301 L326 N365 Q366L299-G368 CarbonylContact O-C 3.47Å; L299-G368 VanDerWaalsContact O-CA 3.28Å; L299-G368 WeakPolarHBondContact O-CA 3.38Å; E301-G368 WeakPolarHBondContact O-CA 3.42Å; L326-G368 PolarHBondContact N-O 3.49Å; N365-G368 PolarHBondContact O-N 3.39Å; Q366-G368 PolarHBondContact O-N 3.49Å
369L97.6Very high92.9Very high0 Ų040.1 Ų40.10%022%0.224CC..EExtended strand (participates in β ladder)trans-150.2157.6-176.760.281.9000113.7Y297 L299 T304 M323 V324 L348Y297-L369 HydrophobicContact CD1-CD1 3.8Å; Y297-L369 HydrophobicContact CE1-CD1 3.61Å; L299-L369 HydrophobicContact CB-CD1 4.24Å; L299-L369 HydrophobicContact CB-CG 4.17Å; L299-L369 HydrophobicContact CD2-CG 4.31Å; L299-L369 PolarHBondContact N-O 3.06Å; L299-L369 PolarHBondContact O-N 2.83Å; T304-L369 HydrophobicContact CG2-CD2 4.49Å; T304-L369 VanDerWaalsContact OG1-CD2 3.31Å; T304-L369 WeakPolarHBondContact OG1-CD2 3.28Å; M323-L369 HydrophobicContact CG-CB 4.23Å; M323-L369 HydrophobicContact CG-CD1 4.37Å; M323-L369 HydrophobicContact SD-CB 4.4Å; M323-L369 HydrophobicContact SD-CD1 4.08Å; M323-L369 HydrophobicContact SD-CD2 3.81Å; M323-L369 HydrophobicContact SD-CG 4.32Å; V324-L369 CarbonylContact O-C 3.48Å; V324-L369 VanDerWaalsContact O-CA 3.25Å; V324-L369 WeakPolarHBondContact O-CA 3.32Å; L348-L369 HydrophobicContact CD1-CB 4.08Å; L348-L369 HydrophobicContact CD1-CD2 4.19Å
370V98.2Very high93.2Very high0 Ų042.4 Ų42.40%022%0.215CC..EExtended strand (participates in β ladder)trans-127.5120166.5-173.70000109.4V296 Y297 V298 M323 V324 L326 L378 I382V296-V370 HydrophobicContact CG2-CG1 3.39Å; Y297-V370 CarbonylContact O-C 3.59Å; Y297-V370 VanDerWaalsContact O-CA 3.29Å; Y297-V370 WeakPolarHBondContact O-CA 3.42Å; V298-V370 HydrophobicContact CG2-CG1 4.36Å; V298-V370 HydrophobicContact CG2-CG2 4.49Å; M323-V370 WeakPolarHBondContact CA-O 3.49Å; V324-V370 HydrophobicContact CG2-CB 3.94Å; V324-V370 PolarHBondContact N-O 2.99Å; V324-V370 PolarHBondContact O-N 2.76Å; L326-V370 HydrophobicContact CB-CG2 4.1Å; L326-V370 HydrophobicContact CD1-CG2 3.61Å; L326-V370 HydrophobicContact CG-CG2 4.34Å; V370-L378 HydrophobicContact CB-CD1 3.9Å; V370-L378 HydrophobicContact CG1-CD1 3.65Å; V370-L378 HydrophobicContact CG2-CD1 4.48Å; V370-I382 HydrophobicContact CG2-CD1 4.13Å
371A98.3Very high93.7Very high0 Ų040 Ų400%020%0.195CC..EExtended strand (participates in β ladder)trans-104.9130.1176.700000110.5I286 V296 Y297 L316 M323I286-A371 HydrophobicContact CG1-CB 4.43Å; I286-A371 HydrophobicContact CG2-CB 4.33Å; V296-A371 WeakPolarHBondContact CA-O 3.24Å; V296-A371 WeakPolarHBondContact CG2-O 3.28Å; Y297-A371 HydrophobicContact CD1-CB 4.3Å; Y297-A371 PolarHBondContact N-O 3.09Å; Y297-A371 PolarHBondContact O-N 2.95Å; L316-A371 HydrophobicContact CD1-CB 3.79Å; M323-A371 HydrophobicContact CE-CB 3.91Å; M323-A371 HydrophobicContact CG-CB 4.01Å; M323-A371 HydrophobicContact SD-CB 4.44Å
372Y96.9Very high93.9Very high21 Ų2137 Ų378%0.08218%0.179CC..EExtended strand (participates in β ladder)trans-148.9156-170.665.4-82.6000112.7G321 G322 V324 C375 L378G321-Y372 CarbonylContact C-O 3.48Å; G321-Y372 WeakPolarHBondContact CA-O 3.29Å; G322-Y372 VanDerWaalsContact C-CE1 3.49Å; G322-Y372 PolarHBondContact N-O 3.3Å; G322-Y372 VanDerWaalsContact O-CD1 3.26Å; G322-Y372 WeakPolarHBondContact O-CD1 2.99Å; G322-Y372 WeakPolarHBondContact O-CE1 3.29Å; G322-Y372 PolarHBondContact O-N 2.95Å; V324-Y372 HydrophobicContact CG1-CE1 4.02Å; V324-Y372 HydrophobicContact CG2-CE1 4.39Å; Y372-C375 HydrophobicContact CE2-CB 4.24Å; Y372-L378 HydrophobicContact CD1-CB 4.09Å; Y372-L378 HydrophobicContact CD1-CD1 4.16Å; Y372-L378 HydrophobicContact CD1-CD2 4.08Å; Y372-L378 HydrophobicContact CD1-CG 4.32Å; Y372-L378 HydrophobicContact CD2-CB 4.19Å; Y372-L378 HydrophobicContact CE1-CB 4.43Å; Y372-L378 HydrophobicContact CE1-CD1 4.4Å; Y372-L378 HydrophobicContact CE1-CD2 3.62Å; Y372-L378 HydrophobicContact CE1-CG 4.36Å; Y372-L378 HydrophobicContact CE2-CD2 4.34Å; Y372-L378 HydrophobicContact CG-CB 3.97Å
373L94.2Very high93.9Very high22 Ų2236.6 Ų36.612%0.11519%0.19CC..SBendtrans-103.4-21.7167.8-74.1178.5000113.7P236 V289 L316 L319P236-L373 HydrophobicContact CG-CD1 4.09Å; V289-L373 HydrophobicContact CG1-CG 4.2Å; V289-L373 VanDerWaalsContact O-CD1 3.23Å; V289-L373 WeakPolarHBondContact O-CD1 3.25Å; L316-L373 HydrophobicContact CD2-CD2 3.62Å; L316-L373 HydrophobicContact CD2-CG 4.01Å; L319-L373 HydrophobicContact CB-CD2 3.5Å; L319-L373 HydrophobicContact CD1-CD2 3.92Å; L319-L373 HydrophobicContact CG-CD2 4.37Å
374N91Very high93.7Very high45 Ų4537.3 Ų37.324%0.24120%0.195CC..  trans-124.4117.4-177.8-176.4-21.8000110.1Q376 I377 L378N374-Q376 PolarHBondContact O-N 3.42Å; N374-Q376 VanDerWaalsContact OD1-CB 3.3Å; N374-Q376 WeakPolarHBondContact OD1-CB 3.43Å; N374-Q376 PolarHBondContact OD1-N 2.98Å; N374-I377 HydrophobicContact CB-CB 4.35Å; N374-I377 HydrophobicContact CB-CD1 3.99Å; N374-I377 HydrophobicContact CB-CG1 4.03Å; N374-I377 WeakPolarHBondContact O-CB 3.33Å; N374-I377 PolarHBondContact O-N 3.12Å; N374-L378 PolarHBondContact O-N 3.04Å
375C90.1Very high93.5Very high68 Ų6837.2 Ų37.246%0.45919%0.194SC..Hα-helixtrans-62-27.4-178.961.20000113.4Y372 I377 L378 H379Y372-C375 HydrophobicContact CE2-CB 4.24Å; C375-I377 VanDerWaalsContact C-N 3.27Å; C375-I377 PolarHBondContact O-N 3.48Å; C375-L378 WeakPolarHBondContact O-CB 3.41Å; C375-L378 PolarHBondContact O-N 2.95Å; C375-H379 PolarHBondContact O-CD2 2.85Å; C375-H379 VanDerWaalsContact O-CD2 3.3Å; C375-H379 PolarHBondContact O-N 3.31Å
376Q90Very high93.3Very high136 Ų13641.8 Ų41.864%0.63621%0.214SC*.Hα-helixtrans-66.2-34174.5-60.8179.2-12.400111.4N374 R380N374-Q376 PolarHBondContact O-N 3.42Å; N374-Q376 VanDerWaalsContact OD1-CB 3.3Å; N374-Q376 WeakPolarHBondContact OD1-CB 3.43Å; N374-Q376 PolarHBondContact OD1-N 2.98Å; Q376-R380 VanDerWaalsContact O-CG 3.31Å; Q376-R380 WeakPolarHBondContact O-CG 3.5Å; Q376-R380 PolarHBondContact O-N 3.01Å; Q376-R380 VanDerWaalsContact O-N 3.11Å
377I91.3Very high92.8Very high23 Ų2341.3 Ų41.312%0.11823%0.234CC..Hα-helixtrans-68.7-44.7175-66.8-178.1000110.1L251 D295 V296 N374 C375 H379 R380 V381L251-I377 HydrophobicContact CD1-CB 4.38Å; L251-I377 HydrophobicContact CD1-CD1 3.99Å; L251-I377 HydrophobicContact CD1-CG1 4.17Å; L251-I377 HydrophobicContact CD1-CG2 3.43Å; L251-I377 VanDerWaalsContact CD1-CG2 3.43Å; L251-I377 HydrophobicContact CD2-CG2 4.28Å; L251-I377 HydrophobicContact CG-CG2 4.48Å; D295-I377 HydrophobicContact CB-CD1 3.86Å; D295-I377 HydrophobicContact CB-CG2 4.46Å; V296-I377 HydrophobicContact CB-CG2 3.98Å; V296-I377 HydrophobicContact CG1-CG2 4.29Å; N374-I377 HydrophobicContact CB-CB 4.35Å; N374-I377 HydrophobicContact CB-CD1 3.99Å; N374-I377 HydrophobicContact CB-CG1 4.03Å; N374-I377 WeakPolarHBondContact O-CB 3.33Å; N374-I377 PolarHBondContact O-N 3.12Å; C375-I377 VanDerWaalsContact C-N 3.27Å; C375-I377 PolarHBondContact O-N 3.48Å; I377-H379 VanDerWaalsContact C-N 3.34Å; I377-H379 PolarHBondContact O-N 3.35Å; I377-R380 PolarHBondContact O-N 3.17Å; I377-V381 HydrophobicContact CG2-CG2 4.42Å; I377-V381 WeakPolarHBondContact O-CG2 3.5Å; I377-V381 PolarHBondContact O-N 2.95Å
378L93.2Very high92.2Very high11 Ų1145.4 Ų45.46%0.05825%0.249CC..Hα-helixtrans-52.5-53172.7171.867.4000110.7V324 V370 Y372 N374 C375 R380 V381 I382V324-L378 HydrophobicContact CG1-CD2 4.27Å; V324-L378 HydrophobicContact CG2-CD1 3.61Å; V324-L378 HydrophobicContact CG2-CD2 4.1Å; V370-L378 HydrophobicContact CB-CD1 3.9Å; V370-L378 HydrophobicContact CG1-CD1 3.65Å; V370-L378 HydrophobicContact CG2-CD1 4.48Å; Y372-L378 HydrophobicContact CD1-CB 4.09Å; Y372-L378 HydrophobicContact CD1-CD1 4.16Å; Y372-L378 HydrophobicContact CD1-CD2 4.08Å; Y372-L378 HydrophobicContact CD1-CG 4.32Å; Y372-L378 HydrophobicContact CD2-CB 4.19Å; Y372-L378 HydrophobicContact CE1-CB 4.43Å; Y372-L378 HydrophobicContact CE1-CD1 4.4Å; Y372-L378 HydrophobicContact CE1-CD2 3.62Å; Y372-L378 HydrophobicContact CE1-CG 4.36Å; Y372-L378 HydrophobicContact CE2-CD2 4.34Å; Y372-L378 HydrophobicContact CG-CB 3.97Å; N374-L378 PolarHBondContact O-N 3.04Å; C375-L378 WeakPolarHBondContact O-CB 3.41Å; C375-L378 PolarHBondContact O-N 2.95Å; L378-R380 VanDerWaalsContact C-N 3.29Å; L378-R380 PolarHBondContact O-N 3.47Å; L378-V381 PolarHBondContact O-N 3.46Å; L378-V381 VanDerWaalsContact O-N 3.1Å; L378-I382 HydrophobicContact CD1-CD1 4.1Å; L378-I382 HydrophobicContact CD1-CG1 3.71Å; L378-I382 HydrophobicContact CG-CG1 4.17Å; L378-I382 WeakPolarHBondContact O-CG1 3.25Å; L378-I382 PolarHBondContact O-N 2.98Å
379H91.1Very high90.9Very high116 Ų11650.7 Ų50.754%0.53727%0.272SS..Hα-helixtrans-60.5-38.3-177.8-67.6-175.2000112.6C375 I377 G383C375-H379 PolarHBondContact O-CD2 2.85Å; C375-H379 VanDerWaalsContact O-CD2 3.3Å; C375-H379 PolarHBondContact O-N 3.31Å; I377-H379 VanDerWaalsContact C-N 3.34Å; I377-H379 PolarHBondContact O-N 3.35Å; H379-G383 PolarHBondContact O-N 3.11Å
380R91.6Very high90.6Very high103 Ų10353.2 Ų53.239%0.38929%0.286SS..Hα-helixtrans-63.4-43.9174.8-73.6174.567-164.4-0.5112Q376 I377 L378 E384Q376-R380 VanDerWaalsContact O-CG 3.31Å; Q376-R380 WeakPolarHBondContact O-CG 3.5Å; Q376-R380 PolarHBondContact O-N 3.01Å; Q376-R380 VanDerWaalsContact O-N 3.11Å; I377-R380 PolarHBondContact O-N 3.17Å; L378-R380 VanDerWaalsContact C-N 3.29Å; L378-R380 PolarHBondContact O-N 3.47Å; R380-E384 PolarHBondContact O-N 2.82Å; R380-E384 VanDerWaalsContact O-N 3.12Å
381V93.2Very high90.2Very high0 Ų056 Ų560%030%0.301CS..Hα-helixtrans-65.2-51178.61690000110.8L251 L267 V296 V298 I377 L378 G383 E384 L385L251-V381 HydrophobicContact CD2-CG2 3.65Å; L267-V381 HydrophobicContact CD2-CG1 4.14Å; V296-V381 HydrophobicContact CG1-CG2 3.99Å; V296-V381 HydrophobicContact CG2-CG2 4.33Å; V298-V381 HydrophobicContact CG2-CG1 3.72Å; I377-V381 HydrophobicContact CG2-CG2 4.42Å; I377-V381 WeakPolarHBondContact O-CG2 3.5Å; I377-V381 PolarHBondContact O-N 2.95Å; L378-V381 PolarHBondContact O-N 3.46Å; L378-V381 VanDerWaalsContact O-N 3.1Å; V381-G383 VanDerWaalsContact C-N 3.3Å; V381-G383 PolarHBondContact O-N 3.03Å; V381-E384 PolarHBondContact O-N 2.86Å; V381-E384 VanDerWaalsContact O-N 3.14Å; V381-L385 HydrophobicContact CG1-CD1 3.73Å; V381-L385 HydrophobicContact CG1-CG 4.37Å; V381-L385 WeakPolarHBondContact O-CB 3.45Å; V381-L385 VanDerWaalsContact O-CG 3.31Å; V381-L385 WeakPolarHBondContact O-CG 3.35Å; V381-L385 PolarHBondContact O-N 3.22Å
382I93.4Very high89.8Confident21 Ų2159.1 Ų59.111%0.10832%0.317CS..Hα-helixtrans-60-42.8177.9-62-56.8000110.7L326 C329 L330 V370 L378 E384 L385 K386L326-I382 HydrophobicContact CD1-CD1 3.61Å; C329-I382 HydrophobicContact CB-CD1 3.62Å; C329-I382 HydrophobicContact CB-CG1 4.03Å; C329-I382 HydrophobicContact CB-CG2 4.23Å; L330-I382 HydrophobicContact CD2-CG2 4.31Å; V370-I382 HydrophobicContact CG2-CD1 4.13Å; L378-I382 HydrophobicContact CD1-CD1 4.1Å; L378-I382 HydrophobicContact CD1-CG1 3.71Å; L378-I382 HydrophobicContact CG-CG1 4.17Å; L378-I382 WeakPolarHBondContact O-CG1 3.25Å; L378-I382 PolarHBondContact O-N 2.98Å; I382-E384 VanDerWaalsContact C-N 3.27Å; I382-E384 PolarHBondContact O-N 3Å; I382-L385 PolarHBondContact O-N 3.49Å; I382-K386 WeakPolarHBondContact O-CB 3.32Å; I382-K386 PolarHBondContact O-N 2.83Å
383G91.8Very high89.3Confident48 Ų4861.4 Ų61.450%0.49533%0.331SS..Hα-helixtrans-57.2-39.2176.500000113H379 V381H379-G383 PolarHBondContact O-N 3.11Å; V381-G383 VanDerWaalsContact C-N 3.3Å; V381-G383 PolarHBondContact O-N 3.03Å
384E91.8Very high89Confident63 Ų6363.8 Ų63.829%0.29435%0.345SS..Hα-helixtrans-82.2-23.3178.5-84.7-69-124.600115.8L270 R380 V381 I382 K388L270-E384 HydrophobicContact CD1-CB 3.68Å; L270-E384 HydrophobicContact CD1-CG 3.62Å; L270-E384 HydrophobicContact CD2-CG 3.81Å; L270-E384 HydrophobicContact CG-CB 4.23Å; L270-E384 HydrophobicContact CG-CG 3.72Å; R380-E384 PolarHBondContact O-N 2.82Å; R380-E384 VanDerWaalsContact O-N 3.12Å; V381-E384 PolarHBondContact O-N 2.86Å; V381-E384 VanDerWaalsContact O-N 3.14Å; I382-E384 VanDerWaalsContact C-N 3.27Å; I382-E384 PolarHBondContact O-N 3Å; E384-K388 VanDerWaalsContact CD-NZ 3.26Å; E384-K388 WeakPolarHBondContact O-CD 3.24Å; E384-K388 WeakPolarHBondContact O-CE 3.3Å; E384-K388 PolarHBondContact O-NZ 3.07Å; E384-K388 IonicContact OE1-NZ 2.71Å; E384-K388 IonicContact OE2-NZ 3.68Å; E384-K388 PolarHBondContact OE2-NZ 3.49Å
385L92.8Very high88.9Confident1 Ų165.1 Ų65.11%0.00535%0.352CS..Hα-helixtrans-80.2-27.5176.2-75.6-178.3000111.9V263 A266 L267 V298 L326 L330 V381 I382 G387 K388 F389V263-L385 HydrophobicContact CG1-CD2 4.15Å; A266-L385 HydrophobicContact CB-CD2 4.01Å; L267-L385 HydrophobicContact CD1-CD2 4.09Å; L267-L385 HydrophobicContact CD2-CD1 4.44Å; L267-L385 HydrophobicContact CD2-CD2 3.8Å; L267-L385 HydrophobicContact CD2-CG 3.93Å; L267-L385 HydrophobicContact CG-CD2 3.75Å; L267-L385 HydrophobicContact CG-CG 4.41Å; V298-L385 HydrophobicContact CG1-CD1 4.08Å; L326-L385 HydrophobicContact CD1-CD1 3.78Å; L330-L385 HydrophobicContact CD2-CB 3.69Å; V381-L385 HydrophobicContact CG1-CD1 3.73Å; V381-L385 HydrophobicContact CG1-CG 4.37Å; V381-L385 WeakPolarHBondContact O-CB 3.45Å; V381-L385 VanDerWaalsContact O-CG 3.31Å; V381-L385 WeakPolarHBondContact O-CG 3.35Å; V381-L385 PolarHBondContact O-N 3.22Å; I382-L385 PolarHBondContact O-N 3.49Å; L385-G387 PolarHBondContact O-N 3.06Å; L385-K388 PolarHBondContact O-N 3.12Å; L385-K388 VanDerWaalsContact O-N 3.14Å; L385-F389 HydrophobicContact CB-CE1 3.49Å; L385-F389 VanDerWaalsContact CB-CE1 3.49Å; L385-F389 HydrophobicContact CB-CZ 3.99Å; L385-F389 HydrophobicContact CD1-CE1 4.26Å; L385-F389 HydrophobicContact CD1-CZ 4.18Å; L385-F389 HydrophobicContact CD2-CD1 4.2Å; L385-F389 HydrophobicContact CD2-CE1 3.36Å; L385-F389 HydrophobicContact CD2-CZ 4Å; L385-F389 HydrophobicContact CG-CE1 3.82Å; L385-F389 HydrophobicContact CG-CZ 4.24Å; L385-F389 WeakPolarHBondContact O-CE1 3.44Å
386K91Very high88.8Confident98 Ų9864.9 Ų64.943%0.42634%0.344SS..THydrogen-bonded Turntrans-59.6119.6-174.2-166163.6-171.5159.40112.5L330 S332 I382 K388L330-K386 HydrophobicContact CD2-CB 4.35Å; L330-K386 WeakPolarHBondContact O-CE 3.4Å; S332-K386 PolarHBondContact O-NZ 2.87Å; I382-K386 WeakPolarHBondContact O-CB 3.32Å; I382-K386 PolarHBondContact O-N 2.83Å; K386-K388 VanDerWaalsContact C-N 3.33Å
387G82.9Confident88.7Confident83 Ų8359.4 Ų59.486%0.85632%0.322SS*.THydrogen-bonded Turntrans77.511.4177.400000115.2L385L385-G387 PolarHBondContact O-N 3.06Å
388K80.4Confident88.5Confident95 Ų9562.4 Ų62.441%0.41334%0.339SS..  trans-107.7-10.9-178.3-62-164.8-166.8156.60115.3A266 E384 L385 K386A266-K388 HydrophobicContact CB-CB 4.28Å; A266-K388 HydrophobicContact CB-CD 3.91Å; E384-K388 VanDerWaalsContact CD-NZ 3.26Å; E384-K388 WeakPolarHBondContact O-CD 3.24Å; E384-K388 WeakPolarHBondContact O-CE 3.3Å; E384-K388 PolarHBondContact O-NZ 3.07Å; E384-K388 IonicContact OE1-NZ 2.71Å; E384-K388 IonicContact OE2-NZ 3.68Å; E384-K388 PolarHBondContact OE2-NZ 3.49Å; L385-K388 PolarHBondContact O-N 3.12Å; L385-K388 VanDerWaalsContact O-N 3.14Å; K386-K388 VanDerWaalsContact C-N 3.33Å
389F69.1Low88.1Confident110 Ų11067.1 Ų67.148%0.48236%0.364SS..  trans-155.3017561.4-79.1000112A262 V263 L326 L330 L385A262-F389 HydrophobicContact CB-CB 4.05Å; V263-F389 HydrophobicContact CG2-CD1 4.11Å; V263-F389 HydrophobicContact CG2-CD2 3.97Å; V263-F389 HydrophobicContact CG2-CE1 4.22Å; V263-F389 HydrophobicContact CG2-CE2 4.05Å; V263-F389 HydrophobicContact CG2-CG 3.99Å; V263-F389 HydrophobicContact CG2-CZ 4.17Å; L326-F389 HydrophobicContact CD2-CE2 4.25Å; L326-F389 HydrophobicContact CD2-CZ 4.1Å; L330-F389 HydrophobicContact CD1-CE1 4.38Å; L330-F389 HydrophobicContact CD1-CE2 3.95Å; L330-F389 HydrophobicContact CD1-CZ 3.59Å; L385-F389 HydrophobicContact CB-CE1 3.49Å; L385-F389 VanDerWaalsContact CB-CE1 3.49Å; L385-F389 HydrophobicContact CB-CZ 3.99Å; L385-F389 HydrophobicContact CD1-CE1 4.26Å; L385-F389 HydrophobicContact CD1-CZ 4.18Å; L385-F389 HydrophobicContact CD2-CD1 4.2Å; L385-F389 HydrophobicContact CD2-CE1 3.36Å; L385-F389 HydrophobicContact CD2-CZ 4Å; L385-F389 HydrophobicContact CG-CE1 3.82Å; L385-F389 HydrophobicContact CG-CZ 4.24Å; L385-F389 WeakPolarHBondContact O-CE1 3.44Å

Retrieved 389 of 389 residues in 2002.4 ms (Link to these results)

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