A0A096NX73_PAPAN Loading...

ER membrane protein complex subunit 9

AlphaFold DB (F7FF56), UniProt , Accession A0A096NX73, Species PAPAN (Papio anubis, Olive baboon), Gene EMC9, Length 208 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
1M66.6Low92.2Very high155 Ų15536 Ų3676%0.76420%0.199SC*.  0120.70-67.4163.7-157.300106.6L147M1-L147 HydrophobicContact CB-CD1 4.15Å
2G86.9Confident92.5Very high36 Ų3633 Ų3337%0.37118%0.183SC..  trans-80.2159.6176.900000112K143G2-K143 WeakPolarHBondContact O-CE 3.36Å; G2-K143 PolarHBondContact O-NZ 3.34Å
3E93.7Very high92.9Very high98 Ų9830.5 Ų30.546%0.45817%0.168SC..  trans-68.7152.4165.8-67.1168.8179.600109.9C40 L41 L147E3-C40 HydrophobicContact CB-CB 4.14Å; E3-L41 PolarHBondContact O-N 3.23Å; E3-L147 WeakPolarHBondContact CA-O 3.46Å; E3-L147 HydrophobicContact CG-CD2 3.95Å
4V95.6Very high93.2Very high1 Ų128.4 Ų28.41%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-125.8126.717159.90000109.1L41 L43 V112 V132 K143 L147 V148 M149V4-L41 CarbonylContact C-O 3.5Å; V4-L41 WeakPolarHBondContact CA-O 3.33Å; V4-L41 HydrophobicContact CB-CB 4.45Å; V4-L41 HydrophobicContact CG2-CB 4.37Å; V4-L41 HydrophobicContact CG2-CD2 4.23Å; V4-L41 HydrophobicContact CG2-CG 4.21Å; V4-L43 HydrophobicContact CG2-CD1 4.12Å; V4-L43 HydrophobicContact CG2-CG 4.01Å; V4-V112 HydrophobicContact CG2-CG1 4.36Å; V4-V112 HydrophobicContact CG2-CG2 4.41Å; V4-V132 HydrophobicContact CG1-CG1 4.25Å; V4-K143 HydrophobicContact CG1-CD 3.82Å; V4-L147 PolarHBondContact N-O 3.22Å; V4-V148 HydrophobicContact CG1-CB 4.38Å; V4-V148 HydrophobicContact CG1-CG1 4.41Å; V4-V148 HydrophobicContact CG1-CG2 4Å; V4-M149 PolarHBondContact O-N 3.42Å
5E95.9Very high93.4Very high39 Ų3926.6 Ų26.618%0.18215%0.147CC..EExtended strand (participates in β ladder)trans-105.7126173.1-177-179.5103.300109.4L41 L43 M149 R151E5-L41 PolarHBondContact N-O 2.66Å; E5-L43 PolarHBondContact O-N 2.7Å; E5-M149 WeakPolarHBondContact CA-O 3.4Å; E5-M149 HydrophobicContact CB-CB 4.25Å; E5-M149 HydrophobicContact CG-CB 4.43Å; E5-R151 IonicContact OE1-CZ 2.7Å; E5-R151 VanDerWaalsContact OE1-CZ 3.25Å; E5-R151 IonicContact OE1-NE 3.16Å; E5-R151 PolarHBondContact OE1-NE 3.31Å; E5-R151 IonicContact OE1-NH2 3.5Å; E5-R151 PolarHBondContact OE1-NH2 3.34Å
6I96.7Very high93.5Very high2 Ų224.9 Ų24.91%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-100.3118.3175.8-53173.3000108.3L43 I114 V132 V148 M149 W150I6-L43 HydrophobicContact CG1-CD1 4.21Å; I6-I114 HydrophobicContact CD1-CD1 3.69Å; I6-I114 HydrophobicContact CG1-CD1 4.39Å; I6-V132 HydrophobicContact CD1-CG2 4.24Å; I6-V148 HydrophobicContact CD1-CG1 4.25Å; I6-M149 PolarHBondContact N-O 3.02Å; I6-W150 HydrophobicContact CB-CE3 4.16Å; I6-W150 HydrophobicContact CB-CH2 4.25Å; I6-W150 HydrophobicContact CB-CZ3 4.01Å; I6-W150 HydrophobicContact CD1-CH2 3.83Å; I6-W150 HydrophobicContact CD1-CZ2 3.73Å; I6-W150 HydrophobicContact CD1-CZ3 4.46Å; I6-W150 HydrophobicContact CG2-CE3 4.44Å; I6-W150 HydrophobicContact CG2-CH2 4.16Å; I6-W150 HydrophobicContact CG2-CZ3 3.88Å
7S95.7Very high93.8Very high17 Ų1723.5 Ų23.512%0.11913%0.13CC..  trans-71.9155.3176.168.60000112.3L9 A10 Y11 L43 T44S7-L9 PolarHBondContact O-N 3.26Å; S7-A10 PolarHBondContact O-N 3.29Å; S7-A10 WeakPolarHBondContact OG-CB 3.41Å; S7-A10 PolarHBondContact OG-N 2.93Å; S7-Y11 WeakPolarHBondContact O-CB 3.46Å; S7-Y11 PolarHBondContact O-N 3.27Å; S7-Y11 VanDerWaalsContact O-N 3.07Å; S7-L43 WeakPolarHBondContact CB-O 3.26Å; S7-L43 PolarHBondContact N-O 2.75Å; S7-L43 PolarHBondContact OG-O 3.35Å; S7-T44 WeakPolarHBondContact OG-CA 3.41Å; S7-T44 PolarHBondContact OG-O 2.88Å
8A94.6Very high93.8Very high13 Ų1322.3 Ų22.311%0.10712%0.124CC..Hα-helixtrans-55.3-42.417300000111.5Y11 V12 S156 M159 V199A8-Y11 PolarHBondContact O-N 3.44Å; A8-V12 VanDerWaalsContact O-CB 3.26Å; A8-V12 WeakPolarHBondContact O-CB 3.43Å; A8-V12 WeakPolarHBondContact O-CG2 3.5Å; A8-V12 PolarHBondContact O-N 3Å; A8-S156 WeakPolarHBondContact CA-OG 3.33Å; A8-S156 VanDerWaalsContact CB-OG 3.3Å; A8-S156 WeakPolarHBondContact CB-OG 3.3Å; A8-M159 HydrophobicContact CB-CE 4.37Å; A8-V199 HydrophobicContact CB-CG2 3.97Å
9L95.8Very high93.9Very high27 Ų2722.5 Ų22.514%0.14113%0.128CC..Hα-helixtrans-60.9-49.9179.9178.862000112.8S7 Y11 K13 D45 N192 I195S7-L9 PolarHBondContact O-N 3.26Å; L9-Y11 VanDerWaalsContact C-N 3.33Å; L9-Y11 PolarHBondContact O-N 2.96Å; L9-K13 HydrophobicContact CD1-CD 4.43Å; L9-K13 HydrophobicContact CD1-CG 4.37Å; L9-K13 PolarHBondContact O-N 3.19Å; L9-K13 VanDerWaalsContact O-N 3.11Å; L9-D45 WeakPolarHBondContact CD2-OD1 3.48Å; L9-D45 WeakPolarHBondContact CG-OD1 3.1Å; L9-N192 HydrophobicContact CD1-CB 4.12Å; L9-N192 HydrophobicContact CD2-CB 4.39Å; L9-I195 HydrophobicContact CB-CG2 4.1Å; L9-I195 HydrophobicContact CD1-CB 3.92Å; L9-I195 HydrophobicContact CD1-CD1 3.61Å; L9-I195 HydrophobicContact CD1-CG1 4.37Å; L9-I195 HydrophobicContact CD1-CG2 3.7Å
10A96.8Very high94Very high0 Ų024.6 Ų24.60%013%0.134CC..Hα-helixtrans-60.4-44.9178.600000111.5S7 M14 F30 C46S7-A10 PolarHBondContact O-N 3.29Å; S7-A10 WeakPolarHBondContact OG-CB 3.41Å; S7-A10 PolarHBondContact OG-N 2.93Å; A10-M14 WeakPolarHBondContact O-CB 3.31Å; A10-M14 PolarHBondContact O-N 2.8Å; A10-F30 HydrophobicContact CB-CD1 3.96Å; A10-F30 HydrophobicContact CB-CE1 4Å; A10-C46 HydrophobicContact CB-CB 4.15Å; A10-C46 WeakPolarHBondContact O-CB 3.32Å
11Y96.2Very high94Very high8 Ų825.3 Ų25.33%0.03114%0.135CC..Hα-helixtrans-65.7-48.6179.6177.4-107000112.8S7 A8 L9 K13 M14 C15 P129 V130 W150 W153 V160S7-Y11 WeakPolarHBondContact O-CB 3.46Å; S7-Y11 PolarHBondContact O-N 3.27Å; S7-Y11 VanDerWaalsContact O-N 3.07Å; A8-Y11 PolarHBondContact O-N 3.44Å; L9-Y11 VanDerWaalsContact C-N 3.33Å; L9-Y11 PolarHBondContact O-N 2.96Å; Y11-K13 PolarHBondContact O-N 3.01Å; Y11-M14 HydrophobicContact CD2-CE 3.63Å; Y11-M14 HydrophobicContact CE2-CE 4.06Å; Y11-M14 WeakPolarHBondContact O-CB 3.4Å; Y11-M14 PolarHBondContact O-N 2.89Å; Y11-C15 VanDerWaalsContact CE2-SG 3.54Å; Y11-C15 PolarHBondContact O-N 3.45Å; Y11-C15 PolarHBondContact O-SG 2.91Å; Y11-C15 VanDerWaalsContact O-SG 3.41Å; Y11-P129 WeakPolarHBondContact OH-CD 3.3Å; Y11-V130 HydrophobicContact CE2-CG1 4.29Å; Y11-W150 HydrophobicContact CD1-CZ3 4.31Å; Y11-W150 AromaticContact CD2-CH2 3.52Å; Y11-W150 HydrophobicContact CD2-CH2 3.52Å; Y11-W150 AromaticContact CD2-CZ3 3.49Å; Y11-W150 HydrophobicContact CD2-CZ3 3.49Å; Y11-W150 VanDerWaalsContact CD2-CZ3 3.49Å; Y11-W150 AromaticContact CE2-CH2 3.89Å; Y11-W150 HydrophobicContact CE2-CH2 3.89Å; Y11-W150 HydrophobicContact CE2-CZ3 4.09Å; Y11-W150 HydrophobicContact CG-CH2 4.15Å; Y11-W150 AromaticContact CG-CZ3 3.62Å; Y11-W150 HydrophobicContact CG-CZ3 3.62Å; Y11-W153 HydrophobicContact CD1-CZ3 4.33Å; Y11-W153 HydrophobicContact CE1-CH2 4.2Å; Y11-W153 AromaticContact CE1-CZ3 3.63Å; Y11-W153 HydrophobicContact CE1-CZ3 3.63Å; Y11-W153 HydrophobicContact CE2-CZ3 4.11Å; Y11-W153 AromaticContact CZ-CH2 3.85Å; Y11-W153 AromaticContact CZ-CZ3 3.52Å; Y11-W153 WeakPolarHBondContact OH-CH2 3.34Å; Y11-V160 HydrophobicContact CD1-CG2 4.07Å; Y11-V160 HydrophobicContact CE1-CG2 3.74Å
12V95.5Very high95.1Very high0 Ų021.8 Ų21.80%012%0.124CC..Hα-helixtrans-62-46.6-177.3170.30000110.6A8 M14 C15 L16 M159 V160 L163 I195A8-V12 VanDerWaalsContact O-CB 3.26Å; A8-V12 WeakPolarHBondContact O-CB 3.43Å; A8-V12 WeakPolarHBondContact O-CG2 3.5Å; A8-V12 PolarHBondContact O-N 3Å; V12-M14 VanDerWaalsContact C-N 3.34Å; V12-M14 PolarHBondContact O-N 3.37Å; V12-C15 PolarHBondContact O-N 3.41Å; V12-L16 HydrophobicContact CG1-CD1 3.8Å; V12-L16 HydrophobicContact CG1-CG 4.15Å; V12-L16 WeakPolarHBondContact O-CB 3.32Å; V12-L16 VanDerWaalsContact O-CG 3.29Å; V12-L16 WeakPolarHBondContact O-CG 3.42Å; V12-L16 PolarHBondContact O-N 3.25Å; V12-M159 HydrophobicContact CG1-SD 4.36Å; V12-M159 HydrophobicContact CG2-CB 4.47Å; V12-M159 HydrophobicContact CG2-CG 4.46Å; V12-M159 HydrophobicContact CG2-SD 3.73Å; V12-V160 HydrophobicContact CB-CG2 4.28Å; V12-V160 HydrophobicContact CG1-CG2 4.47Å; V12-V160 HydrophobicContact CG2-CG2 3.73Å; V12-L163 HydrophobicContact CG1-CD1 3.51Å; V12-I195 HydrophobicContact CB-CD1 4.02Å; V12-I195 HydrophobicContact CG1-CD1 3.5Å; V12-I195 HydrophobicContact CG1-CG1 3.96Å
13K97.3Very high95.1Very high0 Ų028.5 Ų28.50%015%0.145CC..Hα-helixtrans-61.5-41.6177.3-77.3-160.6-72.8-177.30112.6L9 Y11 C15 L16 H17 D45 C46 N188 L191 N192 I195L9-K13 HydrophobicContact CD1-CD 4.43Å; L9-K13 HydrophobicContact CD1-CG 4.37Å; L9-K13 PolarHBondContact O-N 3.19Å; L9-K13 VanDerWaalsContact O-N 3.11Å; Y11-K13 PolarHBondContact O-N 3.01Å; K13-C15 PolarHBondContact O-N 3.11Å; K13-L16 PolarHBondContact O-N 2.79Å; K13-H17 WeakPolarHBondContact O-CB 3.44Å; K13-H17 PolarHBondContact O-N 3.5Å; K13-D45 WeakPolarHBondContact CE-OD1 3.29Å; K13-D45 VanDerWaalsContact NZ-CG 3.25Å; K13-D45 IonicContact NZ-OD1 2.69Å; K13-D45 PolarHBondContact NZ-OD1 2.61Å; K13-D45 IonicContact NZ-OD2 3.79Å; K13-D45 PolarHBondContact NZ-OD2 2.94Å; K13-D45 VanDerWaalsContact NZ-OD2 3.16Å; K13-C46 HydrophobicContact CB-CB 4.13Å; K13-C46 WeakPolarHBondContact CE-O 3.28Å; K13-C46 PolarHBondContact NZ-O 3.24Å; K13-N188 HydrophobicContact CD-CB 4.1Å; K13-L191 HydrophobicContact CD-CD2 4.49Å; K13-L191 HydrophobicContact CG-CD2 4.12Å; K13-N192 WeakPolarHBondContact CD-OD1 3.42Å; K13-N192 VanDerWaalsContact CE-OD1 3.26Å; K13-N192 WeakPolarHBondContact CE-OD1 3.15Å; K13-N192 PolarHBondContact NZ-OD1 2.91Å; K13-I195 HydrophobicContact CG-CD1 4.17Å
14M97.3Very high95Very high2 Ų225.1 Ų25.11%0.0113%0.134CC..Hα-helixtrans-59.2-46.3174.3175.3-174.759.700111.4A10 Y11 V12 H17 A18 F30 Y82 I114 L116 V130A10-M14 WeakPolarHBondContact O-CB 3.31Å; A10-M14 PolarHBondContact O-N 2.8Å; Y11-M14 HydrophobicContact CD2-CE 3.63Å; Y11-M14 HydrophobicContact CE2-CE 4.06Å; Y11-M14 WeakPolarHBondContact O-CB 3.4Å; Y11-M14 PolarHBondContact O-N 2.89Å; V12-M14 VanDerWaalsContact C-N 3.34Å; V12-M14 PolarHBondContact O-N 3.37Å; M14-H17 WeakPolarHBondContact O-CB 3.45Å; M14-H17 PolarHBondContact O-N 3.08Å; M14-A18 PolarHBondContact O-N 3.09Å; M14-A18 VanDerWaalsContact O-N 3.16Å; M14-F30 HydrophobicContact CE-CZ 4.5Å; M14-F30 HydrophobicContact SD-CZ 3.76Å; M14-Y82 HydrophobicContact CB-CD1 4.44Å; M14-Y82 HydrophobicContact CB-CE1 4.37Å; M14-Y82 HydrophobicContact CG-CD1 4.12Å; M14-Y82 HydrophobicContact CG-CD2 3.7Å; M14-Y82 HydrophobicContact CG-CE1 4.33Å; M14-Y82 HydrophobicContact CG-CE2 3.92Å; M14-Y82 HydrophobicContact CG-CG 3.79Å; M14-Y82 HydrophobicContact SD-CD1 4.33Å; M14-Y82 HydrophobicContact SD-CD2 4.12Å; M14-Y82 HydrophobicContact SD-CG 3.79Å; M14-I114 HydrophobicContact SD-CG2 4.41Å; M14-L116 HydrophobicContact CE-CD1 4.02Å; M14-L116 HydrophobicContact CG-CD2 4.07Å; M14-L116 HydrophobicContact SD-CB 4.35Å; M14-L116 HydrophobicContact SD-CD1 4.49Å; M14-L116 HydrophobicContact SD-CD2 4.49Å; M14-V130 HydrophobicContact CE-CG1 3.95Å
15C95.8Very high95Very high1 Ų126 Ų261%0.00714%0.141CC..Hα-helixtrans-65-44.2178.2-71.50000112.8Y11 V12 K13 H17 A18 A19 L121 V160Y11-C15 VanDerWaalsContact CE2-SG 3.54Å; Y11-C15 PolarHBondContact O-N 3.45Å; Y11-C15 PolarHBondContact O-SG 2.91Å; Y11-C15 VanDerWaalsContact O-SG 3.41Å; V12-C15 PolarHBondContact O-N 3.41Å; K13-C15 PolarHBondContact O-N 3.11Å; C15-H17 VanDerWaalsContact C-N 3.28Å; C15-H17 PolarHBondContact O-N 3.42Å; C15-A18 PolarHBondContact O-N 3.2Å; C15-A19 WeakPolarHBondContact O-CB 3.25Å; C15-A19 PolarHBondContact O-N 2.79Å; C15-L121 HydrophobicContact CB-CD2 3.86Å; C15-L121 VanDerWaalsContact SG-CD2 3.53Å; C15-V160 HydrophobicContact CB-CG1 4.08Å; C15-V160 HydrophobicContact CB-CG2 4.07Å
16L95.9Very high95Very high0 Ų024.1 Ų24.10%013%0.133CC..Hα-helixtrans-63.8-35.6177.3-68177.7000111.3V12 K13 A19 R20 L163 L164 H169 L172 L191V12-L16 HydrophobicContact CG1-CD1 3.8Å; V12-L16 HydrophobicContact CG1-CG 4.15Å; V12-L16 WeakPolarHBondContact O-CB 3.32Å; V12-L16 VanDerWaalsContact O-CG 3.29Å; V12-L16 WeakPolarHBondContact O-CG 3.42Å; V12-L16 PolarHBondContact O-N 3.25Å; K13-L16 PolarHBondContact O-N 2.79Å; L16-A19 PolarHBondContact O-N 3.41Å; L16-R20 WeakPolarHBondContact O-CB 3.4Å; L16-R20 PolarHBondContact O-N 2.9Å; L16-L163 HydrophobicContact CD1-CB 4.47Å; L16-L163 HydrophobicContact CD1-CD1 4.22Å; L16-L163 HydrophobicContact CD2-CB 4.04Å; L16-L164 HydrophobicContact CD2-CD2 3.82Å; L16-L164 HydrophobicContact CD2-CG 4.3Å; L16-H169 HydrophobicContact CB-CB 4.11Å; L16-H169 HydrophobicContact CD2-CB 3.82Å; L16-H169 WeakPolarHBondContact O-CB 3.29Å; L16-L172 HydrophobicContact CB-CD1 3.51Å; L16-L191 HydrophobicContact CD1-CD1 4.03Å; L16-L191 HydrophobicContact CD1-CD2 3.86Å; L16-L191 HydrophobicContact CD1-CG 4.45Å
17H97.5Very high95Very high0 Ų024 Ų240%013%0.132CC..Hα-helixtrans-61.3-50.5174.3-174.9-144.9000111.9K13 M14 C15 A19 R20 Y21 N27 P48 F50 Y82 L172 D174K13-H17 WeakPolarHBondContact O-CB 3.44Å; K13-H17 PolarHBondContact O-N 3.5Å; M14-H17 WeakPolarHBondContact O-CB 3.45Å; M14-H17 PolarHBondContact O-N 3.08Å; C15-H17 VanDerWaalsContact C-N 3.28Å; C15-H17 PolarHBondContact O-N 3.42Å; H17-A19 VanDerWaalsContact C-N 3.32Å; H17-A19 PolarHBondContact O-N 3.36Å; H17-R20 WeakPolarHBondContact O-CB 3.26Å; H17-R20 PolarHBondContact O-N 2.83Å; H17-Y21 AromaticContact CD2-CD2 3.9Å; H17-Y21 AromaticContact CD2-CE2 3.81Å; H17-Y21 AromaticContact NE2-CE2 3.92Å; H17-Y21 WeakPolarHBondContact O-CD2 3.38Å; H17-Y21 PolarHBondContact O-N 2.78Å; H17-N27 PolarHBondContact CE1-O 2.88Å; H17-P48 HydrophobicContact CB-CB 4.13Å; H17-P48 HydrophobicContact CB-CG 4.27Å; H17-F50 PolarHBondContact CE1-O 2.8Å; H17-Y82 AromaticContact ND1-CE2 3.78Å; H17-Y82 AromaticContact ND1-CZ 3.77Å; H17-Y82 PolarHBondContact ND1-OH 2.96Å; H17-L172 HydrophobicContact CB-CD1 4.46Å; H17-L172 HydrophobicContact CB-CD2 3.88Å; H17-D174 IonicContact CD2-OD2 2.76Å; H17-D174 IonicContact NE2-OD2 2.67Å; H17-D174 PolarHBondContact NE2-OD2 3.2Å
18A95.4Very high95.1Very high3 Ų323.2 Ų23.23%0.02513%0.126CC..Hα-helixtrans-64-37.3177.400000112.6M14 C15 R20 Y21 V26 L116 L121M14-A18 PolarHBondContact O-N 3.09Å; M14-A18 VanDerWaalsContact O-N 3.16Å; C15-A18 PolarHBondContact O-N 3.2Å; A18-R20 VanDerWaalsContact C-N 3.34Å; A18-R20 PolarHBondContact O-N 3.42Å; A18-Y21 CarbonylContact O-C 3.56Å; A18-Y21 VanDerWaalsContact O-C 3.24Å; A18-Y21 PolarHBondContact O-N 3.09Å; A18-V26 HydrophobicContact CB-CG2 3.84Å; A18-L116 HydrophobicContact CB-CD2 3.58Å; A18-L121 HydrophobicContact CB-CD1 3.53Å
19A94.4Very high95.3Very high25 Ų2522.6 Ų22.621%0.20712%0.121CC..Hα-helixtrans-69.4-28.8176.800000113.6C15 L16 H17 Y21 L164 H169C15-A19 WeakPolarHBondContact O-CB 3.25Å; C15-A19 PolarHBondContact O-N 2.79Å; L16-A19 PolarHBondContact O-N 3.41Å; H17-A19 VanDerWaalsContact C-N 3.32Å; H17-A19 PolarHBondContact O-N 3.36Å; A19-Y21 VanDerWaalsContact C-N 3.29Å; A19-L164 HydrophobicContact CB-CD2 3.36Å; A19-H169 HydrophobicContact CB-CB 4.23Å
20R95.5Very high95.4Very high65 Ų6521.3 Ų21.325%0.24512%0.115CC..Hα-helixtrans-65.7-34173.5-173.9178.4175.9142.3-4.4111.9L16 H17 A18 P22 H169 Q170 H171 C177L16-R20 WeakPolarHBondContact O-CB 3.4Å; L16-R20 PolarHBondContact O-N 2.9Å; H17-R20 WeakPolarHBondContact O-CB 3.26Å; H17-R20 PolarHBondContact O-N 2.83Å; A18-R20 VanDerWaalsContact C-N 3.34Å; A18-R20 PolarHBondContact O-N 3.42Å; R20-P22 VanDerWaalsContact C-CD 3.5Å; R20-P22 WeakPolarHBondContact O-CD 3.41Å; R20-H169 HydrophobicContact CB-CB 4.47Å; R20-H169 VanDerWaalsContact CD-O 3.31Å; R20-H169 WeakPolarHBondContact CD-O 3.37Å; R20-H169 WeakPolarHBondContact CG-O 3.38Å; R20-Q170 PolarHBondContact NH1-O 2.78Å; R20-H171 VanDerWaalsContact NH1-C 3.33Å; R20-H171 PolarHBondContact NH1-O 3.06Å; R20-C177 PolarHBondContact NH2-SG 2.95Å
21Y94.3Very high95.5Very high40 Ų4021.3 Ų21.316%0.15712%0.115CC..SBendtrans-125.666.6-178.1-50.5-75.6000111.9H17 A18 A19 H23 A24 V26 H51 D174 C177H17-Y21 AromaticContact CD2-CD2 3.9Å; H17-Y21 AromaticContact CD2-CE2 3.81Å; H17-Y21 AromaticContact NE2-CE2 3.92Å; H17-Y21 WeakPolarHBondContact O-CD2 3.38Å; H17-Y21 PolarHBondContact O-N 2.78Å; A18-Y21 CarbonylContact O-C 3.56Å; A18-Y21 VanDerWaalsContact O-C 3.24Å; A18-Y21 PolarHBondContact O-N 3.09Å; A19-Y21 VanDerWaalsContact C-N 3.29Å; Y21-H23 PolarHBondContact O-N 3.15Å; Y21-A24 PolarHBondContact O-N 2.9Å; Y21-V26 HydrophobicContact CD2-CG1 4.1Å; Y21-V26 HydrophobicContact CG-CG1 4.48Å; Y21-H51 HydrophobicContact CD1-CB 3.98Å; Y21-H51 AromaticContact CD1-CD2 3.65Å; Y21-H51 AromaticContact CD1-CG 3.78Å; Y21-H51 HydrophobicContact CD2-CB 3.33Å; Y21-H51 AromaticContact CD2-CG 3.75Å; Y21-H51 HydrophobicContact CE1-CB 4.2Å; Y21-H51 AromaticContact CE1-CD2 3.44Å; Y21-H51 VanDerWaalsContact CE1-CD2 3.44Å; Y21-H51 WeakPolarHBondContact CE1-CD2 3.37Å; Y21-H51 AromaticContact CE1-CE1 3.83Å; Y21-H51 AromaticContact CE1-CG 3.57Å; Y21-H51 AromaticContact CE1-ND1 3.82Å; Y21-H51 AromaticContact CE1-NE2 3.62Å; Y21-H51 HydrophobicContact CE2-CB 3.57Å; Y21-H51 AromaticContact CE2-CG 3.53Å; Y21-H51 AromaticContact CE2-ND1 3.54Å; Y21-H51 HydrophobicContact CG-CB 3.52Å; Y21-H51 AromaticContact CG-CG 3.84Å; Y21-H51 AromaticContact CZ-CD2 3.75Å; Y21-H51 AromaticContact CZ-CE1 3.53Å; Y21-H51 AromaticContact CZ-CG 3.41Å; Y21-H51 VanDerWaalsContact CZ-CG 3.41Å; Y21-H51 AromaticContact CZ-ND1 3.27Å; Y21-H51 VanDerWaalsContact CZ-ND1 3.27Å; Y21-H51 AromaticContact CZ-NE2 3.83Å; Y21-H51 PolarHBondContact OH-CE1 3.36Å; Y21-H51 VanDerWaalsContact OH-CE1 3.26Å; Y21-H51 PolarHBondContact OH-ND1 3.31Å; Y21-D174 WeakPolarHBondContact CE2-OD2 3.4Å; Y21-D174 PolarHBondContact OH-OD2 3.05Å; Y21-C177 PolarHBondContact OH-SG 3.09Å; Y21-C177 VanDerWaalsContact OH-SG 3.37Å
22P89.8Confident95.5Very high80 Ų8021 Ų2152%0.51911%0.113SC..THydrogen-bonded Turntrans-67.3-14.8-169.128.6-36.8000114.3R20R20-P22 VanDerWaalsContact C-CD 3.5Å; R20-P22 WeakPolarHBondContact O-CD 3.41Å
23H87.9Confident95.5Very high178 Ų17823.9 Ų23.982%0.82413%0.132SC*.THydrogen-bonded Turntrans-103.5-0.7-179.9-56-51000113.2Y21Y21-H23 PolarHBondContact O-N 3.15Å
24A92Very high94.8Very high26 Ų2627 Ų2722%0.21516%0.158CC..SBendtrans-114.3155.8-174.700000111.2Y21 H51Y21-A24 PolarHBondContact O-N 2.9Å; A24-H51 WeakPolarHBondContact CB-O 3.46Å
25A94.3Very high93.5Very high20 Ų2029.6 Ų29.617%0.16518%0.175CC..  trans-74.3137.6161.200000108.1L54 A84 A86A25-L54 HydrophobicContact CB-CD1 3.43Å; A25-L54 VanDerWaalsContact CB-CD1 3.43Å; A25-A84 CarbonylContact C-O 3.55Å; A25-A84 WeakPolarHBondContact CA-O 3.32Å; A25-A84 WeakPolarHBondContact CB-O 3.45Å; A25-A86 HydrophobicContact CB-CB 4.08Å
26V96.4Very high92.4Very high0 Ų038.2 Ų38.20%021%0.207CC..EExtended strand (participates in β ladder)trans-127.5152178.4-630000110.7A18 Y21 F50 H51 A84A18-V26 HydrophobicContact CB-CG2 3.84Å; Y21-V26 HydrophobicContact CD2-CG1 4.1Å; Y21-V26 HydrophobicContact CG-CG1 4.48Å; V26-F50 WeakPolarHBondContact CA-O 3.31Å; V26-H51 HydrophobicContact CG1-CB 3.96Å; V26-A84 HydrophobicContact CG2-CB 3.62Å; V26-A84 PolarHBondContact N-O 3.1Å; V26-A84 PolarHBondContact O-N 3.02Å
27N97.4Very high91.1Very high0 Ų044.8 Ų44.80%025%0.253CS..EExtended strand (participates in β ladder)trans-143171174.372.8-4.3000113.2H17 L49 F50 L54 Y81 Y82H17-N27 PolarHBondContact CE1-O 2.88Å; N27-L49 PolarHBondContact O-N 2.9Å; N27-L49 WeakPolarHBondContact OD1-CB 3.16Å; N27-F50 PolarHBondContact N-O 3.16Å; N27-F50 WeakPolarHBondContact OD1-CD2 3.33Å; N27-F50 PolarHBondContact OD1-N 3.05Å; N27-F50 PolarHBondContact OD1-O 3.38Å; N27-L54 HydrophobicContact CB-CD2 3.75Å; N27-L54 VanDerWaalsContact ND2-CD2 3.31Å; N27-L54 WeakPolarHBondContact ND2-CD2 3.36Å; N27-L54 VanDerWaalsContact OD1-CD2 3.3Å; N27-L54 WeakPolarHBondContact OD1-CD2 3.32Å; N27-Y81 HydrophobicContact CB-CE2 3.63Å; N27-Y81 WeakPolarHBondContact CB-OH 3.44Å; N27-Y81 PolarHBondContact ND2-OH 2.86Å; N27-Y82 VanDerWaalsContact C-CZ 3.45Å; N27-Y82 VanDerWaalsContact CA-O 3.32Å; N27-Y82 WeakPolarHBondContact CA-O 3.41Å; N27-Y82 WeakPolarHBondContact CB-O 3.21Å; N27-Y82 PolarHBondContact O-OH 3.34Å
28G97.9Very high89.8Confident0 Ų048.9 Ų48.90%030%0.295CS..EExtended strand (participates in β ladder)trans-179.4-177.4173.100000113.2V47 Y81 Y82G28-V47 CarbonylContact C-O 3.03Å; G28-V47 WeakPolarHBondContact CA-O 3.46Å; G28-Y81 WeakPolarHBondContact O-CA 3.36Å; G28-Y81 WeakPolarHBondContact O-CD2 3.25Å; G28-Y82 VanDerWaalsContact C-CE1 3.4Å; G28-Y82 VanDerWaalsContact CA-CZ 3.43Å; G28-Y82 VanDerWaalsContact N-CZ 3.32Å; G28-Y82 PolarHBondContact N-O 2.9Å; G28-Y82 WeakPolarHBondContact O-CD1 3.45Å; G28-Y82 PolarHBondContact O-N 3.42Å
29L98.4Very high89.3Confident0 Ų053.8 Ų53.80%032%0.318CS..EExtended strand (participates in β ladder)trans-109.9146.1-173.7-58.8170.4000110.5C46 V47 L49 L64 V67 V78 Y81 I104L29-C46 CarbonylContact O-C 3.6Å; L29-C46 VanDerWaalsContact O-CA 3.31Å; L29-C46 WeakPolarHBondContact O-CA 3.2Å; L29-V47 PolarHBondContact N-O 3.21Å; L29-V47 PolarHBondContact O-N 3.12Å; L29-L49 HydrophobicContact CD1-CD1 3.99Å; L29-L49 HydrophobicContact CD1-CD2 4.28Å; L29-L49 HydrophobicContact CD1-CG 4.38Å; L29-L49 HydrophobicContact CD2-CD1 4.13Å; L29-L49 HydrophobicContact CG-CD1 3.68Å; L29-L49 HydrophobicContact CG-CG 4.12Å; L29-L64 HydrophobicContact CD1-CD2 3.78Å; L29-L64 HydrophobicContact CD2-CD2 3.93Å; L29-V67 HydrophobicContact CD1-CB 4.11Å; L29-V67 HydrophobicContact CD1-CG1 3.95Å; L29-V67 HydrophobicContact CD1-CG2 4.15Å; L29-V78 HydrophobicContact CB-CG1 4.38Å; L29-V78 HydrophobicContact CD1-CG1 4.5Å; L29-V78 HydrophobicContact CD1-CG2 4.4Å; L29-V78 HydrophobicContact CD2-CG1 4.01Å; L29-Y81 HydrophobicContact CD2-CD2 4.19Å; L29-I104 HydrophobicContact CD2-CD1 3.7Å
30F98.4Very high89Confident0 Ų054.5 Ų54.50%032%0.321CS..EExtended strand (participates in β ladder)trans-100.5144.2164.9-67.2-65.6000110.8A10 M14 L43 D45 C46 A79 G80 Y82 I114A10-F30 HydrophobicContact CB-CD1 3.96Å; A10-F30 HydrophobicContact CB-CE1 4Å; M14-F30 HydrophobicContact CE-CZ 4.5Å; M14-F30 HydrophobicContact SD-CZ 3.76Å; F30-L43 HydrophobicContact CB-CB 4.38Å; F30-L43 HydrophobicContact CB-CD1 4.01Å; F30-L43 HydrophobicContact CB-CD2 3.96Å; F30-L43 HydrophobicContact CB-CG 4.34Å; F30-L43 HydrophobicContact CD1-CD1 4.25Å; F30-L43 HydrophobicContact CD2-CD1 3.88Å; F30-L43 HydrophobicContact CE2-CD1 4.39Å; F30-L43 HydrophobicContact CG-CD1 3.79Å; F30-D45 WeakPolarHBondContact CA-O 3.35Å; F30-C46 HydrophobicContact CD1-CB 4.01Å; F30-C46 HydrophobicContact CE1-CB 4.08Å; F30-A79 PolarHBondContact O-N 3.18Å; F30-G80 PolarHBondContact N-O 3.32Å; F30-G80 PolarHBondContact O-N 2.96Å; F30-Y82 HydrophobicContact CE1-CD1 4.26Å; F30-Y82 HydrophobicContact CE2-CD1 4.04Å; F30-Y82 HydrophobicContact CE2-CG 4.35Å; F30-Y82 AromaticContact CZ-CD1 3.86Å; F30-Y82 HydrophobicContact CZ-CD1 3.86Å; F30-Y82 HydrophobicContact CZ-CG 4.25Å; F30-I114 HydrophobicContact CD2-CD1 4.17Å; F30-I114 HydrophobicContact CD2-CG1 4.42Å; F30-I114 HydrophobicContact CE2-CB 3.89Å; F30-I114 HydrophobicContact CE2-CD1 3.46Å; F30-I114 VanDerWaalsContact CE2-CD1 3.46Å; F30-I114 HydrophobicContact CE2-CG1 3.72Å; F30-I114 HydrophobicContact CZ-CD1 3.91Å
31L97.7Very high88.9Confident0 Ų052 Ų520%031%0.312CS..EExtended strand (participates in β ladder)trans-116.5141.3177.8-58.2177.4000109.8L43 T44 D45 V47 V67 W70 L76 V77 V78L31-L43 CarbonylContact O-C 3.38Å; L31-T44 PolarHBondContact O-N 3.48Å; L31-T44 PolarHBondContact O-OG1 3.48Å; L31-D45 HydrophobicContact CB-CB 4.26Å; L31-D45 PolarHBondContact N-O 3.08Å; L31-D45 PolarHBondContact O-N 3.38Å; L31-V47 HydrophobicContact CD1-CG2 3.8Å; L31-V47 HydrophobicContact CG-CG2 4.39Å; L31-V67 HydrophobicContact CD1-CG1 4.49Å; L31-V67 HydrophobicContact CD2-CG1 3.72Å; L31-W70 HydrophobicContact CD1-CE3 4.13Å; L31-W70 HydrophobicContact CD1-CH2 4.45Å; L31-W70 HydrophobicContact CD1-CZ3 3.44Å; L31-W70 VanDerWaalsContact CD1-CZ3 3.44Å; L31-L76 HydrophobicContact CB-CB 4.4Å; L31-L76 HydrophobicContact CB-CD1 4.33Å; L31-L76 HydrophobicContact CD1-CD1 4.29Å; L31-V77 WeakPolarHBondContact CA-O 3.41Å; L31-V78 HydrophobicContact CD2-CB 4.47Å; L31-V78 HydrophobicContact CD2-CG2 3.85Å
32A96.6Very high89Confident1 Ų152 Ų521%0.00832%0.318CS..EExtended strand (participates in β ladder)trans-135.2154.2175.200000109.5L41 C42 L43 L76 V77 A79A32-L41 HydrophobicContact CB-CD1 3.66Å; A32-C42 WeakPolarHBondContact CA-O 3.23Å; A32-C42 WeakPolarHBondContact CB-O 3.29Å; A32-L43 HydrophobicContact CB-CD2 4.5Å; A32-L76 CarbonylContact O-C 3.55Å; A32-L76 VanDerWaalsContact O-CA 3.28Å; A32-L76 WeakPolarHBondContact O-CA 3.47Å; A32-V77 PolarHBondContact N-O 3.25Å; A32-V77 PolarHBondContact O-N 3.34Å; A32-A79 HydrophobicContact CB-CB 3.57Å
33P94.4Very high89.3Confident60 Ų6048.2 Ų48.239%0.3929%0.293SS..EExtended strand (participates in β ladder)trans-55147.4163-20.233.1000109.5P35 T44 L76P33-P35 WeakPolarHBondContact O-CD 3.48Å; P33-T44 HydrophobicContact CG-CG2 4.07Å; P33-L76 HydrophobicContact CG-CD2 4.29Å
34A83.3Confident89.7Confident65 Ų6541.9 Ų41.954%0.53727%0.267SS..  trans-54.6115.8173.900000109.3V77A34-V77 HydrophobicContact CB-CG1 4.22Å
35P70.4Confident89.9Confident57 Ų5741.1 Ų41.137%0.3726%0.259SS..PPolyproline II helixtrans-69.6147.8-170.529.5-37.5000110.2P33 F108P33-P35 WeakPolarHBondContact O-CD 3.48Å; P35-F108 HydrophobicContact CG-CE2 3.47Å; P35-F108 VanDerWaalsContact CG-CE2 3.47Å; P35-F108 HydrophobicContact CG-CZ 3.67Å
36R72.8Confident90Very high182 Ų18240.1 Ų40.169%0.68725%0.251SS*.PPolyproline II helixtrans-88.1144.9162.4-55.9171.7172.6168.6-0108G38 E39R36-G38 PolarHBondContact O-N 3Å; R36-G38 VanDerWaalsContact O-N 3.15Å; R36-E39 HydrophobicContact CB-CG 4.14Å; R36-E39 WeakPolarHBondContact CB-OE2 3.37Å; R36-E39 WeakPolarHBondContact CD-OE1 3.34Å; R36-E39 WeakPolarHBondContact O-CB 3.36Å; R36-E39 PolarHBondContact O-N 3.21Å; R36-E39 VanDerWaalsContact O-N 3.09Å
37S68.7Low90.1Very high138 Ų13840.1 Ų40.197%0.96525%0.251SS*.THydrogen-bonded Turntrans-51.8121.3-176.41760000111.8
38G70.6Confident90.2Very high86 Ų8640.1 Ų40.189%0.88725%0.251SS*.THydrogen-bonded Turntrans85.84.717600000115.6R36R36-G38 PolarHBondContact O-N 3Å; R36-G38 VanDerWaalsContact O-N 3.15Å
39E83.3Confident90.1Very high107 Ų10740.1 Ų40.150%0.525%0.251SS..SBendtrans-84.3159172.9-69.2-177.4172.300112.1R36R36-E39 HydrophobicContact CB-CG 4.14Å; R36-E39 WeakPolarHBondContact CB-OE2 3.37Å; R36-E39 WeakPolarHBondContact CD-OE1 3.34Å; R36-E39 WeakPolarHBondContact O-CB 3.36Å; R36-E39 PolarHBondContact O-N 3.21Å; R36-E39 VanDerWaalsContact O-N 3.09Å
40C89.3Confident90.1Very high39 Ų3940.4 Ų40.426%0.26425%0.252SS..  trans-60.4135171.8178.70000110.2E3 C42E3-C40 HydrophobicContact CB-CB 4.14Å; C40-C42 PolarHBondContact O-N 3.42Å
41L94.1Very high89.9Confident14 Ų1442.4 Ų42.47%0.07326%0.262CS..EExtended strand (participates in β ladder)trans-75104.3174.3172.457.7000109.7E3 V4 E5 A32 L43 A79 F108 D110 V112E3-L41 PolarHBondContact O-N 3.23Å; V4-L41 CarbonylContact C-O 3.5Å; V4-L41 WeakPolarHBondContact CA-O 3.33Å; V4-L41 HydrophobicContact CB-CB 4.45Å; V4-L41 HydrophobicContact CG2-CB 4.37Å; V4-L41 HydrophobicContact CG2-CD2 4.23Å; V4-L41 HydrophobicContact CG2-CG 4.21Å; E5-L41 PolarHBondContact N-O 2.66Å; A32-L41 HydrophobicContact CB-CD1 3.66Å; L41-L43 HydrophobicContact CD1-CD2 4.09Å; L41-L43 HydrophobicContact CD2-CD2 4.04Å; L41-L43 HydrophobicContact CG-CD2 3.87Å; L41-A79 HydrophobicContact CD1-CB 3.8Å; L41-F108 HydrophobicContact CD1-CE1 4.01Å; L41-F108 HydrophobicContact CD1-CZ 3.89Å; L41-F108 HydrophobicContact CD2-CE1 4.11Å; L41-D110 WeakPolarHBondContact CD2-O 3.24Å; L41-V112 HydrophobicContact CD2-CG1 4.26Å
42C95.3Very high89.4Confident39 Ų3944.6 Ų44.626%0.26428%0.277SS..EExtended strand (participates in β ladder)trans-92.9104.5178.8-61.10000111.2A32 C40 T44A32-C42 WeakPolarHBondContact CA-O 3.23Å; A32-C42 WeakPolarHBondContact CB-O 3.29Å; C40-C42 PolarHBondContact O-N 3.42Å; C42-T44 HydrophobicContact CB-CG2 4.31Å; C42-T44 PolarHBondContact O-N 3.22Å; C42-T44 VanDerWaalsContact O-N 3.08Å
43L96.7Very high88.7Confident0 Ų051.6 Ų51.60%031%0.309CS..EExtended strand (participates in β ladder)trans-75.994.7171.9-52.5-174.3000109.2V4 E5 I6 S7 F30 L31 A32 L41 A79 V112 I114V4-L43 HydrophobicContact CG2-CD1 4.12Å; V4-L43 HydrophobicContact CG2-CG 4.01Å; E5-L43 PolarHBondContact O-N 2.7Å; I6-L43 HydrophobicContact CG1-CD1 4.21Å; S7-L43 WeakPolarHBondContact CB-O 3.26Å; S7-L43 PolarHBondContact N-O 2.75Å; S7-L43 PolarHBondContact OG-O 3.35Å; F30-L43 HydrophobicContact CB-CB 4.38Å; F30-L43 HydrophobicContact CB-CD1 4.01Å; F30-L43 HydrophobicContact CB-CD2 3.96Å; F30-L43 HydrophobicContact CB-CG 4.34Å; F30-L43 HydrophobicContact CD1-CD1 4.25Å; F30-L43 HydrophobicContact CD2-CD1 3.88Å; F30-L43 HydrophobicContact CE2-CD1 4.39Å; F30-L43 HydrophobicContact CG-CD1 3.79Å; L31-L43 CarbonylContact O-C 3.38Å; A32-L43 HydrophobicContact CB-CD2 4.5Å; L41-L43 HydrophobicContact CD1-CD2 4.09Å; L41-L43 HydrophobicContact CD2-CD2 4.04Å; L41-L43 HydrophobicContact CG-CD2 3.87Å; L43-A79 HydrophobicContact CD2-CB 4.15Å; L43-V112 HydrophobicContact CD1-CG2 3.82Å; L43-V112 HydrophobicContact CD2-CG2 4.45Å; L43-I114 HydrophobicContact CD1-CD1 4Å
44T95.9Very high88.1Confident45 Ų4549.9 Ų49.928%0.27630%0.297SS..  trans-87.8-23.7-172.951.40000113.5S7 L31 P33 C42S7-T44 WeakPolarHBondContact OG-CA 3.41Å; S7-T44 PolarHBondContact OG-O 2.88Å; L31-T44 PolarHBondContact O-N 3.48Å; L31-T44 PolarHBondContact O-OG1 3.48Å; P33-T44 HydrophobicContact CG-CG2 4.07Å; C42-T44 HydrophobicContact CB-CG2 4.31Å; C42-T44 PolarHBondContact O-N 3.22Å; C42-T44 VanDerWaalsContact O-N 3.08Å
45D96.6Very high87.7Confident10 Ų1050.5 Ų50.55%0.05330%0.302CS..EExtended strand (participates in β ladder)trans-148.7167.6179.8-157.416.2000113.3L9 K13 F30 L31L9-D45 WeakPolarHBondContact CD2-OD1 3.48Å; L9-D45 WeakPolarHBondContact CG-OD1 3.1Å; K13-D45 WeakPolarHBondContact CE-OD1 3.29Å; K13-D45 VanDerWaalsContact NZ-CG 3.25Å; K13-D45 IonicContact NZ-OD1 2.69Å; K13-D45 PolarHBondContact NZ-OD1 2.61Å; K13-D45 IonicContact NZ-OD2 3.79Å; K13-D45 PolarHBondContact NZ-OD2 2.94Å; K13-D45 VanDerWaalsContact NZ-OD2 3.16Å; F30-D45 WeakPolarHBondContact CA-O 3.35Å; L31-D45 HydrophobicContact CB-CB 4.26Å; L31-D45 PolarHBondContact N-O 3.08Å; L31-D45 PolarHBondContact O-N 3.38Å
46C96.6Very high88.1Confident0 Ų052.6 Ų52.60%031%0.309CS..EExtended strand (participates in β ladder)trans-137.8134.4-176.9167.90000111.1A10 K13 L29 F30 Y82A10-C46 HydrophobicContact CB-CB 4.15Å; A10-C46 WeakPolarHBondContact O-CB 3.32Å; K13-C46 HydrophobicContact CB-CB 4.13Å; K13-C46 WeakPolarHBondContact CE-O 3.28Å; K13-C46 PolarHBondContact NZ-O 3.24Å; L29-C46 CarbonylContact O-C 3.6Å; L29-C46 VanDerWaalsContact O-CA 3.31Å; L29-C46 WeakPolarHBondContact O-CA 3.2Å; F30-C46 HydrophobicContact CD1-CB 4.01Å; F30-C46 HydrophobicContact CE1-CB 4.08Å; C46-Y82 WeakPolarHBondContact SG-CE1 3.33Å
47V98.3Very high88.5Confident0 Ų047.5 Ų47.50%030%0.301CS..EExtended strand (participates in β ladder)trans-112.4107.9173.2179.50000109.3G28 L29 L31 L49 V67 W186G28-V47 CarbonylContact C-O 3.03Å; G28-V47 WeakPolarHBondContact CA-O 3.46Å; L29-V47 PolarHBondContact N-O 3.21Å; L29-V47 PolarHBondContact O-N 3.12Å; L31-V47 HydrophobicContact CD1-CG2 3.8Å; L31-V47 HydrophobicContact CG-CG2 4.39Å; V47-L49 HydrophobicContact CG1-CD2 4.26Å; V47-L49 PolarHBondContact O-N 3.44Å; V47-V67 HydrophobicContact CB-CG2 4.38Å; V47-V67 HydrophobicContact CG1-CG2 3.89Å; V47-V67 HydrophobicContact CG2-CG1 4.25Å; V47-V67 HydrophobicContact CG2-CG2 4.35Å; V47-W186 HydrophobicContact CG1-CE3 3.56Å; V47-W186 HydrophobicContact CG1-CZ3 3.95Å; V47-W186 HydrophobicContact CG2-CE3 4.18Å; V47-W186 HydrophobicContact CG2-CZ3 3.9Å
48P98.3Very high89.4Confident0 Ų045 Ų450%028%0.28CS..EExtended strand (participates in β ladder)trans-63124.6170.4-22.235.3000111.7H17 Y82 L172 D174 F175H17-P48 HydrophobicContact CB-CB 4.13Å; H17-P48 HydrophobicContact CB-CG 4.27Å; P48-Y82 VanDerWaalsContact CA-OH 3.25Å; P48-Y82 WeakPolarHBondContact CA-OH 3.39Å; P48-L172 HydrophobicContact CB-CD2 3.96Å; P48-L172 HydrophobicContact CG-CD1 4.48Å; P48-L172 HydrophobicContact CG-CD2 3.86Å; P48-L172 HydrophobicContact CG-CG 4.39Å; P48-D174 HydrophobicContact CB-CB 3.72Å; P48-D174 WeakPolarHBondContact O-CA 3.36Å; P48-F175 PolarHBondContact O-N 3.11Å
49L97.3Very high90.3Very high0 Ų044.5 Ų44.50%026%0.256CS..  trans-98.3-78.6-176.6-74.2-173.5000111.6N27 L29 V47 L60 A63 F175 D176N27-L49 PolarHBondContact O-N 2.9Å; N27-L49 WeakPolarHBondContact OD1-CB 3.16Å; L29-L49 HydrophobicContact CD1-CD1 3.99Å; L29-L49 HydrophobicContact CD1-CD2 4.28Å; L29-L49 HydrophobicContact CD1-CG 4.38Å; L29-L49 HydrophobicContact CD2-CD1 4.13Å; L29-L49 HydrophobicContact CG-CD1 3.68Å; L29-L49 HydrophobicContact CG-CG 4.12Å; V47-L49 HydrophobicContact CG1-CD2 4.26Å; V47-L49 PolarHBondContact O-N 3.44Å; L49-L60 HydrophobicContact CD1-CD1 3.98Å; L49-A63 HydrophobicContact CD2-CB 3.6Å; L49-F175 HydrophobicContact CD2-CB 3.99Å; L49-F175 HydrophobicContact CD2-CG 4.29Å; L49-F175 CarbonylContact O-C 3.52Å; L49-F175 WeakPolarHBondContact O-CA 3.34Å; L49-F175 WeakPolarHBondContact O-CB 3.21Å; L49-F175 PolarHBondContact O-N 3.27Å; L49-D176 PolarHBondContact O-N 3.4Å; L49-D176 VanDerWaalsContact O-N 3.07Å
50F96.9Very high90.6Very high5 Ų540.4 Ų40.42%0.02224%0.237CC..  trans-131.5149.4-168.6-47.8-67000111.4H17 V26 N27 L54 M59 L60 A63 F175 D176 L179H17-F50 PolarHBondContact CE1-O 2.8Å; V26-F50 WeakPolarHBondContact CA-O 3.31Å; N27-F50 PolarHBondContact N-O 3.16Å; N27-F50 WeakPolarHBondContact OD1-CD2 3.33Å; N27-F50 PolarHBondContact OD1-N 3.05Å; N27-F50 PolarHBondContact OD1-O 3.38Å; F50-L54 HydrophobicContact CB-CD2 3.93Å; F50-M59 HydrophobicContact CE1-CB 4.01Å; F50-M59 HydrophobicContact CZ-CB 4.02Å; F50-L60 HydrophobicContact CE2-CB 4.16Å; F50-L60 HydrophobicContact CE2-CD1 4.08Å; F50-A63 HydrophobicContact CZ-CB 3.93Å; F50-F175 HydrophobicContact CE1-CB 4.21Å; F50-F175 AromaticContact CE1-CD1 3.97Å; F50-F175 HydrophobicContact CE1-CD1 3.97Å; F50-F175 HydrophobicContact CZ-CD1 4.31Å; F50-D176 WeakPolarHBondContact CA-OD2 3.3Å; F50-D176 WeakPolarHBondContact CB-OD2 3.45Å; F50-D176 WeakPolarHBondContact CD1-OD1 3.42Å; F50-L179 HydrophobicContact CE1-CD1 4.29Å
51H94.3Very high90.7Very high43 Ų4344.1 Ų44.120%0.19925%0.251CS..SBendtrans-124.4-3.9172.165-90.5000111.8Y21 A24 V26 D174 D176Y21-H51 HydrophobicContact CD1-CB 3.98Å; Y21-H51 AromaticContact CD1-CD2 3.65Å; Y21-H51 AromaticContact CD1-CG 3.78Å; Y21-H51 HydrophobicContact CD2-CB 3.33Å; Y21-H51 AromaticContact CD2-CG 3.75Å; Y21-H51 HydrophobicContact CE1-CB 4.2Å; Y21-H51 AromaticContact CE1-CD2 3.44Å; Y21-H51 VanDerWaalsContact CE1-CD2 3.44Å; Y21-H51 WeakPolarHBondContact CE1-CD2 3.37Å; Y21-H51 AromaticContact CE1-CE1 3.83Å; Y21-H51 AromaticContact CE1-CG 3.57Å; Y21-H51 AromaticContact CE1-ND1 3.82Å; Y21-H51 AromaticContact CE1-NE2 3.62Å; Y21-H51 HydrophobicContact CE2-CB 3.57Å; Y21-H51 AromaticContact CE2-CG 3.53Å; Y21-H51 AromaticContact CE2-ND1 3.54Å; Y21-H51 HydrophobicContact CG-CB 3.52Å; Y21-H51 AromaticContact CG-CG 3.84Å; Y21-H51 AromaticContact CZ-CD2 3.75Å; Y21-H51 AromaticContact CZ-CE1 3.53Å; Y21-H51 AromaticContact CZ-CG 3.41Å; Y21-H51 VanDerWaalsContact CZ-CG 3.41Å; Y21-H51 AromaticContact CZ-ND1 3.27Å; Y21-H51 VanDerWaalsContact CZ-ND1 3.27Å; Y21-H51 AromaticContact CZ-NE2 3.83Å; Y21-H51 PolarHBondContact OH-CE1 3.36Å; Y21-H51 VanDerWaalsContact OH-CE1 3.26Å; Y21-H51 PolarHBondContact OH-ND1 3.31Å; A24-H51 WeakPolarHBondContact CB-O 3.46Å; V26-H51 HydrophobicContact CG1-CB 3.96Å; H51-D174 IonicContact CE1-OD1 3.5Å; H51-D174 IonicContact CE1-OD2 3.25Å; H51-D174 IonicContact CG-OD2 3.54Å; H51-D174 IonicContact ND1-OD1 3.33Å; H51-D174 IonicContact ND1-OD2 2.89Å; H51-D174 PolarHBondContact ND1-OD2 3.03Å; H51-D176 WeakPolarHBondContact CE1-CB 3.16Å; H51-D176 IonicContact CE1-OD2 2.61Å; H51-D176 IonicContact CG-OD2 3.66Å; H51-D176 PolarHBondContact N-OD2 3.32Å; H51-D176 IonicContact ND1-OD2 2.75Å; H51-D176 PolarHBondContact ND1-OD2 3.31Å
52S87.3Confident90.7Very high46 Ų4646.1 Ų46.132%0.32226%0.263SS..SBendtrans-134.7153.4174.378.80000110.2L54 D176S52-L54 PolarHBondContact O-N 3.22Å; S52-D176 PolarHBondContact N-OD2 3.3Å; S52-D176 VanDerWaalsContact N-OD2 3.11Å; S52-D176 PolarHBondContact OG-OD2 3.17Å
53H82.9Confident90.6Very high148 Ų14844.2 Ų44.269%0.68525%0.251SS*.  trans45.641.8168.9-59.9-77000116.3A55 L56H53-A55 PolarHBondContact O-N 3.15Å; H53-L56 HydrophobicContact CB-CD1 3.65Å; H53-L56 HydrophobicContact CB-CG 3.99Å; H53-L56 WeakPolarHBondContact O-CG 3.44Å; H53-L56 PolarHBondContact O-N 3.48Å
54L81.2Confident90.4Very high24 Ų2445.7 Ų45.713%0.12626%0.258CS..THydrogen-bonded Turntrans-51.1-21.5-174.8-61.7144.9000115A25 N27 F50 S52 L96A25-L54 HydrophobicContact CB-CD1 3.43Å; A25-L54 VanDerWaalsContact CB-CD1 3.43Å; N27-L54 HydrophobicContact CB-CD2 3.75Å; N27-L54 VanDerWaalsContact ND2-CD2 3.31Å; N27-L54 WeakPolarHBondContact ND2-CD2 3.36Å; N27-L54 VanDerWaalsContact OD1-CD2 3.3Å; N27-L54 WeakPolarHBondContact OD1-CD2 3.32Å; F50-L54 HydrophobicContact CB-CD2 3.93Å; S52-L54 PolarHBondContact O-N 3.22Å; L54-L96 HydrophobicContact CB-CD2 3.55Å; L54-L96 WeakPolarHBondContact O-CD2 3.31Å
55A74.8Confident90.4Very high78 Ų7848.5 Ų48.565%0.64527%0.271SS*.THydrogen-bonded Turntrans-83.5-2.2-177.400000114.7H53 S57 L96H53-A55 PolarHBondContact O-N 3.15Å; A55-S57 PolarHBondContact O-N 3.33Å; A55-S57 VanDerWaalsContact O-N 3.15Å; A55-L96 HydrophobicContact CB-CD2 4.38Å
56L78.9Confident90.4Very high101 Ų10151.4 Ų51.453%0.52929%0.285SS..  trans-75.9101.1179.6-65.6177.9000111.1H53 V58 M59 L60H53-L56 HydrophobicContact CB-CD1 3.65Å; H53-L56 HydrophobicContact CB-CG 3.99Å; H53-L56 WeakPolarHBondContact O-CG 3.44Å; H53-L56 PolarHBondContact O-N 3.48Å; L56-V58 VanDerWaalsContact C-N 3.29Å; L56-V58 PolarHBondContact O-N 3.02Å; L56-M59 PolarHBondContact O-N 3.2Å; L56-L60 PolarHBondContact O-N 3.08Å
57S81.3Confident90.4Very high74 Ų7451.4 Ų51.452%0.51729%0.285SS..Hα-helixtrans-59.9-35.4-17463.50000114A55 M59 L60 E61A55-S57 PolarHBondContact O-N 3.33Å; A55-S57 VanDerWaalsContact O-N 3.15Å; S57-M59 PolarHBondContact O-N 2.92Å; S57-L60 PolarHBondContact O-N 3.1Å; S57-E61 WeakPolarHBondContact O-CG 3.46Å; S57-E61 PolarHBondContact O-N 3.15Å
58V87.8Confident90.2Very high87 Ų8755 Ų5553%0.52730%0.304SS..Hα-helixtrans-62.3-46-176.9179.20000111.3L56 E61 V62L56-V58 VanDerWaalsContact C-N 3.29Å; L56-V58 PolarHBondContact O-N 3.02Å; V58-E61 PolarHBondContact O-N 2.89Å; V58-V62 WeakPolarHBondContact O-CG2 3.33Å; V58-V62 PolarHBondContact O-N 3.4Å
59M90.1Very high90.1Very high74 Ų7459.2 Ų59.237%0.36533%0.33SS..Hα-helixtrans-70.9-36.1-177.7-61.7-53.7143.800111.5F50 L56 S57 V62 A63 L179F50-M59 HydrophobicContact CE1-CB 4.01Å; F50-M59 HydrophobicContact CZ-CB 4.02Å; L56-M59 PolarHBondContact O-N 3.2Å; S57-M59 PolarHBondContact O-N 2.92Å; M59-V62 PolarHBondContact O-N 3.07Å; M59-A63 WeakPolarHBondContact O-CB 3.27Å; M59-A63 PolarHBondContact O-N 3.04Å; M59-L179 HydrophobicContact CB-CD1 4.1Å; M59-L179 HydrophobicContact CG-CD1 4.04Å; M59-L179 HydrophobicContact SD-CD1 3.75Å; M59-L179 HydrophobicContact SD-CD2 4.32Å
60L89.1Confident90.1Very high22 Ų2262.1 Ų62.112%0.11534%0.34CS..Hα-helixtrans-61.4-43.8172.3177.666.8000112.1L49 F50 L56 S57 A63 L64 I100L49-L60 HydrophobicContact CD1-CD1 3.98Å; F50-L60 HydrophobicContact CE2-CB 4.16Å; F50-L60 HydrophobicContact CE2-CD1 4.08Å; L56-L60 PolarHBondContact O-N 3.08Å; S57-L60 PolarHBondContact O-N 3.1Å; L60-A63 PolarHBondContact O-N 3.25Å; L60-L64 HydrophobicContact CD1-CD1 4.11Å; L60-L64 HydrophobicContact CD1-CG 4.16Å; L60-L64 HydrophobicContact CG-CD1 3.91Å; L60-L64 HydrophobicContact CG-CG 4.4Å; L60-L64 WeakPolarHBondContact O-CB 3.43Å; L60-L64 VanDerWaalsContact O-CG 3.32Å; L60-L64 WeakPolarHBondContact O-CG 3.35Å; L60-L64 PolarHBondContact O-N 3.41Å; L60-I100 HydrophobicContact CD1-CD1 4.37Å; L60-I100 HydrophobicContact CD1-CG2 4.44Å; L60-I100 HydrophobicContact CD2-CD1 3.68Å; L60-I100 HydrophobicContact CD2-CG1 3.62Å; L60-I100 HydrophobicContact CD2-CG2 4.36Å
61E90.6Very high90Very high117 Ų11761.9 Ų61.955%0.54734%0.34SS..Hα-helixtrans-63-41.7177.1-76.6174.4-164.300111.7S57 V58 N65S57-E61 WeakPolarHBondContact O-CG 3.46Å; S57-E61 PolarHBondContact O-N 3.15Å; V58-E61 PolarHBondContact O-N 2.89Å; E61-N65 WeakPolarHBondContact O-CB 3.37Å; E61-N65 PolarHBondContact O-N 3.4Å; E61-N65 VanDerWaalsContact O-N 3.1Å; E61-N65 PolarHBondContact O-ND2 3.36Å
62V93.6Very high90Very high55 Ų5563.3 Ų63.333%0.33336%0.359SS..Hα-helixtrans-61.8-46.2174.61730000110.6V58 M59 N65 Q66 F175V58-V62 WeakPolarHBondContact O-CG2 3.33Å; V58-V62 PolarHBondContact O-N 3.4Å; M59-V62 PolarHBondContact O-N 3.07Å; V62-N65 PolarHBondContact O-N 2.87Å; V62-Q66 WeakPolarHBondContact O-CG 3.26Å; V62-Q66 PolarHBondContact O-N 2.93Å; V62-F175 HydrophobicContact CG1-CE1 4.24Å; V62-F175 HydrophobicContact CG1-CZ 4.31Å
63A94.1Very high90.4Very high0 Ų068.5 Ų68.50%038%0.378CS..Hα-helixtrans-63-47.4-179.600000112.4L49 F50 M59 L60 N65 Q66 V67 F175L49-A63 HydrophobicContact CD2-CB 3.6Å; F50-A63 HydrophobicContact CZ-CB 3.93Å; M59-A63 WeakPolarHBondContact O-CB 3.27Å; M59-A63 PolarHBondContact O-N 3.04Å; L60-A63 PolarHBondContact O-N 3.25Å; A63-N65 VanDerWaalsContact C-N 3.35Å; A63-N65 PolarHBondContact O-N 2.9Å; A63-Q66 PolarHBondContact O-N 3.08Å; A63-V67 WeakPolarHBondContact O-CB 2.83Å; A63-V67 VanDerWaalsContact O-CG2 3.25Å; A63-V67 WeakPolarHBondContact O-CG2 3.41Å; A63-V67 PolarHBondContact O-N 3Å; A63-F175 HydrophobicContact CB-CD1 3.63Å; A63-F175 HydrophobicContact CB-CD2 4.21Å; A63-F175 HydrophobicContact CB-CE1 3.58Å; A63-F175 HydrophobicContact CB-CE2 4.17Å; A63-F175 HydrophobicContact CB-CG 3.94Å; A63-F175 HydrophobicContact CB-CZ 3.86Å
64L92.9Very high90.9Very high31 Ų3164.2 Ų64.216%0.16237%0.368CS..Hα-helixtrans-57-48.1176.8-74.3168000111.1L29 L60 Q66 V67 D68L29-L64 HydrophobicContact CD1-CD2 3.78Å; L29-L64 HydrophobicContact CD2-CD2 3.93Å; L60-L64 HydrophobicContact CD1-CD1 4.11Å; L60-L64 HydrophobicContact CD1-CG 4.16Å; L60-L64 HydrophobicContact CG-CD1 3.91Å; L60-L64 HydrophobicContact CG-CG 4.4Å; L60-L64 WeakPolarHBondContact O-CB 3.43Å; L60-L64 VanDerWaalsContact O-CG 3.32Å; L60-L64 WeakPolarHBondContact O-CG 3.35Å; L60-L64 PolarHBondContact O-N 3.41Å; L64-Q66 PolarHBondContact O-N 3.15Å; L64-V67 PolarHBondContact O-N 3.24Å; L64-D68 VanDerWaalsContact O-CB 3.3Å; L64-D68 WeakPolarHBondContact O-CB 3.49Å; L64-D68 PolarHBondContact O-N 3.42Å
65N94.6Very high91.5Very high103 Ų10365.3 Ų65.355%0.55139%0.385SS*.Hα-helixtrans-61.7-42178.5-76.8-59.2000112.8E61 V62 A63 V69E61-N65 WeakPolarHBondContact O-CB 3.37Å; E61-N65 PolarHBondContact O-N 3.4Å; E61-N65 VanDerWaalsContact O-N 3.1Å; E61-N65 PolarHBondContact O-ND2 3.36Å; V62-N65 PolarHBondContact O-N 2.87Å; A63-N65 VanDerWaalsContact C-N 3.35Å; A63-N65 PolarHBondContact O-N 2.9Å; N65-V69 WeakPolarHBondContact O-CG2 3.03Å; N65-V69 PolarHBondContact O-N 3.29Å; N65-V69 VanDerWaalsContact O-N 3.11Å
66Q96.5Very high92.5Very high71 Ų7162.9 Ų62.933%0.33236%0.362SS..Hα-helixtrans-66.5-44.7178.4-73.7-167.228.900111.9V62 A63 L64 D68 V69 W70 F175 W186V62-Q66 WeakPolarHBondContact O-CG 3.26Å; V62-Q66 PolarHBondContact O-N 2.93Å; A63-Q66 PolarHBondContact O-N 3.08Å; L64-Q66 PolarHBondContact O-N 3.15Å; Q66-D68 VanDerWaalsContact C-N 3.34Å; Q66-V69 PolarHBondContact O-N 3.03Å; Q66-W70 WeakPolarHBondContact O-CB 3.18Å; Q66-W70 PolarHBondContact O-N 3.38Å; Q66-F175 HydrophobicContact CB-CE2 4.32Å; Q66-F175 HydrophobicContact CB-CZ 4.32Å; Q66-F175 HydrophobicContact CG-CZ 4.29Å; Q66-W186 HydrophobicContact CB-CZ2 4.33Å
67V96.9Very high93.4Very high0 Ų060.5 Ų60.50%035%0.351CS..Hα-helixtrans-65.7-38.7179174.30000110.9L29 L31 V47 A63 L64 G71 V78 W186L29-V67 HydrophobicContact CD1-CB 4.11Å; L29-V67 HydrophobicContact CD1-CG1 3.95Å; L29-V67 HydrophobicContact CD1-CG2 4.15Å; L31-V67 HydrophobicContact CD1-CG1 4.49Å; L31-V67 HydrophobicContact CD2-CG1 3.72Å; V47-V67 HydrophobicContact CB-CG2 4.38Å; V47-V67 HydrophobicContact CG1-CG2 3.89Å; V47-V67 HydrophobicContact CG2-CG1 4.25Å; V47-V67 HydrophobicContact CG2-CG2 4.35Å; A63-V67 WeakPolarHBondContact O-CB 2.83Å; A63-V67 VanDerWaalsContact O-CG2 3.25Å; A63-V67 WeakPolarHBondContact O-CG2 3.41Å; A63-V67 PolarHBondContact O-N 3Å; L64-V67 PolarHBondContact O-N 3.24Å; V67-G71 WeakPolarHBondContact O-CA 3.38Å; V67-G71 PolarHBondContact O-N 2.86Å; V67-V78 HydrophobicContact CG1-CG2 3.86Å; V67-W186 HydrophobicContact CG2-CE3 4.43Å; V67-W186 HydrophobicContact CG2-CH2 3.94Å; V67-W186 HydrophobicContact CG2-CZ3 3.81Å
68D94.9Very high94.1Very high76 Ų7657.6 Ų57.641%0.40633%0.33SS..Hα-helixtrans-62.8-47.5175.9-77.2-25.9000111.6L64 Q66 A72 V78L64-D68 VanDerWaalsContact O-CB 3.3Å; L64-D68 WeakPolarHBondContact O-CB 3.49Å; L64-D68 PolarHBondContact O-N 3.42Å; Q66-D68 VanDerWaalsContact C-N 3.34Å; D68-A72 VanDerWaalsContact O-CB 3.26Å; D68-A72 WeakPolarHBondContact O-CB 3.34Å; D68-A72 PolarHBondContact O-N 2.93Å; D68-V78 VanDerWaalsContact OD1-CG2 3.26Å; D68-V78 WeakPolarHBondContact OD1-CG2 3.46Å
69V96.7Very high94.5Very high89 Ų8953.4 Ų53.454%0.53931%0.305SS..Hα-helixtrans-65.6-45.1179.8171.80000111.3N65 Q66 Q73N65-V69 WeakPolarHBondContact O-CG2 3.03Å; N65-V69 PolarHBondContact O-N 3.29Å; N65-V69 VanDerWaalsContact O-N 3.11Å; Q66-V69 PolarHBondContact O-N 3.03Å; V69-Q73 WeakPolarHBondContact O-CG 3.35Å; V69-Q73 PolarHBondContact O-N 2.99Å
70W96.8Very high94.8Very high60 Ų6049.9 Ų49.923%0.22729%0.288CS..Hα-helixtrans-65.1-45.8177.5176.484.1000111.7L31 Q66 A72 Q73 A74 L76 W186 T187L31-W70 HydrophobicContact CD1-CE3 4.13Å; L31-W70 HydrophobicContact CD1-CH2 4.45Å; L31-W70 HydrophobicContact CD1-CZ3 3.44Å; L31-W70 VanDerWaalsContact CD1-CZ3 3.44Å; Q66-W70 WeakPolarHBondContact O-CB 3.18Å; Q66-W70 PolarHBondContact O-N 3.38Å; W70-A72 PolarHBondContact O-N 3.12Å; W70-Q73 WeakPolarHBondContact O-CB 3.31Å; W70-Q73 PolarHBondContact O-N 2.91Å; W70-A74 PolarHBondContact O-N 3.43Å; W70-L76 HydrophobicContact CH2-CD1 4.49Å; W70-L76 HydrophobicContact CZ3-CD1 4.27Å; W70-W186 HydrophobicContact CB-CH2 3.78Å; W70-W186 HydrophobicContact CB-CZ2 4.35Å; W70-W186 AromaticContact CD2-CH2 3.99Å; W70-W186 HydrophobicContact CD2-CH2 3.99Å; W70-W186 HydrophobicContact CD2-CZ3 4.33Å; W70-W186 HydrophobicContact CE3-CH2 4.2Å; W70-W186 HydrophobicContact CE3-CZ3 4.24Å; W70-W186 AromaticContact CG-CH2 3.81Å; W70-W186 HydrophobicContact CG-CH2 3.81Å; W70-W186 HydrophobicContact CG-CZ2 4.49Å; W70-T187 HydrophobicContact CD2-CG2 4.17Å; W70-T187 HydrophobicContact CZ2-CG2 3.93Å
71G95.5Very high95.3Very high1 Ų148.9 Ų48.91%0.0128%0.282CS..Hα-helixtrans-58.8-46.917800000111.3V67 Q73 A74 G75 L76V67-G71 WeakPolarHBondContact O-CA 3.38Å; V67-G71 PolarHBondContact O-N 2.86Å; G71-Q73 VanDerWaalsContact C-N 3.27Å; G71-Q73 PolarHBondContact O-N 3.24Å; G71-A74 CarbonylContact O-C 3.55Å; G71-A74 WeakPolarHBondContact O-CA 3.31Å; G71-A74 PolarHBondContact O-N 3Å; G71-G75 PolarHBondContact O-N 3.01Å; G71-L76 CarbonylContact C-O 3.53Å; G71-L76 PolarHBondContact O-N 3.2Å; G71-L76 VanDerWaalsContact O-O 3.12Å
72A94.6Very high95.6Very high73 Ų7343.3 Ų43.360%0.60326%0.256SS*.Hα-helixtrans-58.8-37.1178.100000112.9D68 W70 A74 G75 L76D68-A72 VanDerWaalsContact O-CB 3.26Å; D68-A72 WeakPolarHBondContact O-CB 3.34Å; D68-A72 PolarHBondContact O-N 2.93Å; W70-A72 PolarHBondContact O-N 3.12Å; A72-A74 VanDerWaalsContact C-N 3.27Å; A72-A74 PolarHBondContact O-N 3.39Å; A72-G75 PolarHBondContact O-N 3.49Å; A72-L76 PolarHBondContact N-O 3.44Å
73Q95.1Very high95.8Very high154 Ų15441.3 Ų41.372%0.7224%0.243SC*.Hα-helixtrans-66.6-29.8175-67.9171.115.900112.5V69 W70 G71V69-Q73 WeakPolarHBondContact O-CG 3.35Å; V69-Q73 PolarHBondContact O-N 2.99Å; W70-Q73 WeakPolarHBondContact O-CB 3.31Å; W70-Q73 PolarHBondContact O-N 2.91Å; G71-Q73 VanDerWaalsContact C-N 3.27Å; G71-Q73 PolarHBondContact O-N 3.24Å
74A92.6Very high95.9Very high58 Ų5841.3 Ų41.348%0.47924%0.243SC..THydrogen-bonded Turntrans-91.81.9176.700000113.8W70 G71 A72 L76W70-A74 PolarHBondContact O-N 3.43Å; G71-A74 CarbonylContact O-C 3.55Å; G71-A74 WeakPolarHBondContact O-CA 3.31Å; G71-A74 PolarHBondContact O-N 3Å; A72-A74 VanDerWaalsContact C-N 3.27Å; A72-A74 PolarHBondContact O-N 3.39Å; A74-L76 VanDerWaalsContact C-N 3.3Å; A74-L76 HydrophobicContact CB-CD1 4.14Å; A74-L76 HydrophobicContact CB-CG 4.2Å
75G94.5Very high96Very high47 Ų4740.8 Ų40.849%0.48524%0.24SC..THydrogen-bonded Turntrans72.122.1-175.300000114.2G71 A72G71-G75 PolarHBondContact O-N 3.01Å; A72-G75 PolarHBondContact O-N 3.49Å
76L96.1Very high95.6Very high28 Ų2838.5 Ų38.515%0.14724%0.236CC..EExtended strand (participates in β ladder)trans-107.9154.7179.4-59.1174.4000111.1L31 A32 P33 W70 G71 A72 A74L31-L76 HydrophobicContact CB-CB 4.4Å; L31-L76 HydrophobicContact CB-CD1 4.33Å; L31-L76 HydrophobicContact CD1-CD1 4.29Å; A32-L76 CarbonylContact O-C 3.55Å; A32-L76 VanDerWaalsContact O-CA 3.28Å; A32-L76 WeakPolarHBondContact O-CA 3.47Å; P33-L76 HydrophobicContact CG-CD2 4.29Å; W70-L76 HydrophobicContact CH2-CD1 4.49Å; W70-L76 HydrophobicContact CZ3-CD1 4.27Å; G71-L76 CarbonylContact C-O 3.53Å; G71-L76 PolarHBondContact O-N 3.2Å; G71-L76 VanDerWaalsContact O-O 3.12Å; A72-L76 PolarHBondContact N-O 3.44Å; A74-L76 VanDerWaalsContact C-N 3.3Å; A74-L76 HydrophobicContact CB-CD1 4.14Å; A74-L76 HydrophobicContact CB-CG 4.2Å
77V96.3Very high95.1Very high50 Ų5037.4 Ų37.430%0.30324%0.239SC..EExtended strand (participates in β ladder)trans-129.3152.1173.9-61.80000110L31 A32 A34 A79 F108L31-V77 WeakPolarHBondContact CA-O 3.41Å; A32-V77 PolarHBondContact N-O 3.25Å; A32-V77 PolarHBondContact O-N 3.34Å; A34-V77 HydrophobicContact CB-CG1 4.22Å; V77-A79 PolarHBondContact O-N 3.17Å; V77-F108 HydrophobicContact CG2-CD2 4.16Å; V77-F108 HydrophobicContact CG2-CE2 3.96Å
78V97.1Very high94Very high13 Ų1340.8 Ų40.88%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-68.8115.6170.2179.70000108.9L29 L31 V67 D68 I104L29-V78 HydrophobicContact CB-CG1 4.38Å; L29-V78 HydrophobicContact CD1-CG1 4.5Å; L29-V78 HydrophobicContact CD1-CG2 4.4Å; L29-V78 HydrophobicContact CD2-CG1 4.01Å; L31-V78 HydrophobicContact CD2-CB 4.47Å; L31-V78 HydrophobicContact CD2-CG2 3.85Å; V67-V78 HydrophobicContact CG1-CG2 3.86Å; D68-V78 VanDerWaalsContact OD1-CG2 3.26Å; D68-V78 WeakPolarHBondContact OD1-CG2 3.46Å; V78-I104 HydrophobicContact CG1-CD1 4.15Å; V78-I104 HydrophobicContact CG1-CG1 4.27Å; V78-I104 HydrophobicContact CG1-CG2 3.95Å
79A96.4Very high93.4Very high0 Ų043.2 Ų43.20%027%0.273CS..EExtended strand (participates in β ladder)trans-123.93.7-171.800000113.8F30 A32 L41 L43 V77 F108 A111 V112F30-A79 PolarHBondContact O-N 3.18Å; A32-A79 HydrophobicContact CB-CB 3.57Å; L41-A79 HydrophobicContact CD1-CB 3.8Å; L43-A79 HydrophobicContact CD2-CB 4.15Å; V77-A79 PolarHBondContact O-N 3.17Å; A79-F108 HydrophobicContact CB-CD1 4Å; A79-F108 HydrophobicContact CB-CE1 3.68Å; A79-F108 HydrophobicContact CB-CZ 3.98Å; A79-A111 VanDerWaalsContact O-CA 3.31Å; A79-A111 WeakPolarHBondContact O-CA 3.38Å; A79-V112 PolarHBondContact O-N 3.49Å
80G97.1Very high93Very high0 Ų042.2 Ų42.20%026%0.264CS..EExtended strand (participates in β ladder)trans-176.9175.7175.100000112.9F30 V112F30-G80 PolarHBondContact N-O 3.32Å; F30-G80 PolarHBondContact O-N 2.96Å; G80-V112 CarbonylContact C-O 3.02Å; G80-V112 WeakPolarHBondContact CA-O 3.46Å
81Y98.3Very high92.6Very high0 Ų041.9 Ų41.90%027%0.265CS..EExtended strand (participates in β ladder)trans-140.5137.2179.2170-98.4000109N27 G28 L29 H83 A97 I100 I104 V112 L113 I114N27-Y81 HydrophobicContact CB-CE2 3.63Å; N27-Y81 WeakPolarHBondContact CB-OH 3.44Å; N27-Y81 PolarHBondContact ND2-OH 2.86Å; G28-Y81 WeakPolarHBondContact O-CA 3.36Å; G28-Y81 WeakPolarHBondContact O-CD2 3.25Å; L29-Y81 HydrophobicContact CD2-CD2 4.19Å; Y81-H83 HydrophobicContact CE1-CB 3.81Å; Y81-H83 AromaticContact CZ-ND1 3.82Å; Y81-H83 PolarHBondContact OH-ND1 3.48Å; Y81-A97 HydrophobicContact CE1-CB 3.86Å; Y81-I100 HydrophobicContact CD2-CG2 3.68Å; Y81-I100 HydrophobicContact CE2-CB 4.31Å; Y81-I100 HydrophobicContact CE2-CD1 4.04Å; Y81-I100 HydrophobicContact CE2-CG2 3.76Å; Y81-I100 HydrophobicContact CG-CG2 4.11Å; Y81-I104 HydrophobicContact CG-CD1 4.49Å; Y81-V112 PolarHBondContact N-O 2.92Å; Y81-L113 HydrophobicContact CD1-CD1 3.52Å; Y81-L113 HydrophobicContact CE1-CD1 4.03Å; Y81-L113 CarbonylContact O-C 3.53Å; Y81-L113 WeakPolarHBondContact O-CA 3Å; Y81-I114 PolarHBondContact O-N 3.01Å
82Y98.2Very high92.5Very high0 Ų044.9 Ų44.90%029%0.286CS..EExtended strand (participates in β ladder)trans-109152.8168.770.3-92000111.7M14 H17 N27 G28 F30 C46 P48 I114M14-Y82 HydrophobicContact CB-CD1 4.44Å; M14-Y82 HydrophobicContact CB-CE1 4.37Å; M14-Y82 HydrophobicContact CG-CD1 4.12Å; M14-Y82 HydrophobicContact CG-CD2 3.7Å; M14-Y82 HydrophobicContact CG-CE1 4.33Å; M14-Y82 HydrophobicContact CG-CE2 3.92Å; M14-Y82 HydrophobicContact CG-CG 3.79Å; M14-Y82 HydrophobicContact SD-CD1 4.33Å; M14-Y82 HydrophobicContact SD-CD2 4.12Å; M14-Y82 HydrophobicContact SD-CG 3.79Å; H17-Y82 AromaticContact ND1-CE2 3.78Å; H17-Y82 AromaticContact ND1-CZ 3.77Å; H17-Y82 PolarHBondContact ND1-OH 2.96Å; N27-Y82 VanDerWaalsContact C-CZ 3.45Å; N27-Y82 VanDerWaalsContact CA-O 3.32Å; N27-Y82 WeakPolarHBondContact CA-O 3.41Å; N27-Y82 WeakPolarHBondContact CB-O 3.21Å; N27-Y82 PolarHBondContact O-OH 3.34Å; G28-Y82 VanDerWaalsContact C-CE1 3.4Å; G28-Y82 VanDerWaalsContact CA-CZ 3.43Å; G28-Y82 VanDerWaalsContact N-CZ 3.32Å; G28-Y82 PolarHBondContact N-O 2.9Å; G28-Y82 WeakPolarHBondContact O-CD1 3.45Å; G28-Y82 PolarHBondContact O-N 3.42Å; F30-Y82 HydrophobicContact CE1-CD1 4.26Å; F30-Y82 HydrophobicContact CE2-CD1 4.04Å; F30-Y82 HydrophobicContact CE2-CG 4.35Å; F30-Y82 AromaticContact CZ-CD1 3.86Å; F30-Y82 HydrophobicContact CZ-CD1 3.86Å; F30-Y82 HydrophobicContact CZ-CG 4.25Å; C46-Y82 WeakPolarHBondContact SG-CE1 3.33Å; P48-Y82 VanDerWaalsContact CA-OH 3.25Å; P48-Y82 WeakPolarHBondContact CA-OH 3.39Å; Y82-I114 CarbonylContact C-O 3.58Å; Y82-I114 WeakPolarHBondContact CA-O 3.45Å
83H97.4Very high92.5Very high13 Ų1343 Ų436%0.0627%0.268CS..EExtended strand (participates in β ladder)trans-141.1137.6171.5-159.682.6000109.9Y81 N85 A97 I114 M115 L116Y81-H83 HydrophobicContact CE1-CB 3.81Å; Y81-H83 AromaticContact CZ-ND1 3.82Å; Y81-H83 PolarHBondContact OH-ND1 3.48Å; H83-N85 PolarHBondContact CD2-OD1 3.26Å; H83-N85 PolarHBondContact NE2-OD1 3.16Å; H83-A97 HydrophobicContact CB-CB 4.15Å; H83-I114 PolarHBondContact N-O 2.87Å; H83-M115 HydrophobicContact CB-CE 4.02Å; H83-M115 HydrophobicContact CB-SD 3.9Å; H83-M115 WeakPolarHBondContact O-CA 3.32Å; H83-L116 PolarHBondContact O-N 3.03Å
84A95.8Very high92.4Very high0 Ų036.9 Ų36.90%025%0.245CC..EExtended strand (participates in β ladder)trans-121.8120.2170.400000107.8A25 V26 L116 N118A25-A84 CarbonylContact C-O 3.55Å; A25-A84 WeakPolarHBondContact CA-O 3.32Å; A25-A84 WeakPolarHBondContact CB-O 3.45Å; V26-A84 HydrophobicContact CG2-CB 3.62Å; V26-A84 PolarHBondContact N-O 3.1Å; V26-A84 PolarHBondContact O-N 3.02Å; A84-L116 HydrophobicContact CB-CB 3.88Å; A84-L116 HydrophobicContact CB-CD2 4.06Å; A84-L116 HydrophobicContact CB-CG 4.36Å; A84-N118 VanDerWaalsContact CB-ND2 3.3Å; A84-N118 WeakPolarHBondContact CB-ND2 3.3Å; A84-N118 WeakPolarHBondContact CB-OD1 3.48Å
85N93.9Very high92.4Very high20 Ų2039.5 Ų39.511%0.10726%0.258CS..  trans-72.4151.4-177.3-70.6-31.1000110.8H83 D90 S92 N118H83-N85 PolarHBondContact CD2-OD1 3.26Å; H83-N85 PolarHBondContact NE2-OD1 3.16Å; N85-D90 VanDerWaalsContact CB-O 3.31Å; N85-D90 WeakPolarHBondContact CB-O 3.5Å; N85-D90 PolarHBondContact ND2-O 2.97Å; N85-S92 PolarHBondContact ND2-O 2.87Å; N85-N118 PolarHBondContact O-ND2 3.19Å
86A87.8Confident92.3Very high56 Ų5639.9 Ų39.946%0.46325%0.248SC..SBendtrans-70.2-36.1172.900000111.7A25 V88A25-A86 HydrophobicContact CB-CB 4.08Å; A86-V88 PolarHBondContact O-N 3.34Å
87A84.6Confident92.2Very high48 Ų4838.6 Ų38.640%0.39724%0.242SC..SBendtrans-72.8116.4172.800000109D89 D90A87-D89 VanDerWaalsContact C-N 3.26Å; A87-D89 PolarHBondContact O-N 3.18Å; A87-D90 HydrophobicContact CB-CB 3.94Å; A87-D90 PolarHBondContact O-N 3.17Å
88V74.6Confident92.2Very high71 Ų7139.1 Ų39.143%0.4324%0.243SC..THydrogen-bonded Turntrans-67.6-25.4-171.1-71.30000113.3A86 Q91 Q119A86-V88 PolarHBondContact O-N 3.34Å; V88-Q91 PolarHBondContact O-NE2 3.09Å; V88-Q91 VanDerWaalsContact O-NE2 3.15Å; V88-Q119 HydrophobicContact CB-CG 3.57Å; V88-Q119 HydrophobicContact CG1-CG 4.3Å; V88-Q119 HydrophobicContact CG2-CG 4.35Å; V88-Q119 VanDerWaalsContact CG2-NE2 3.33Å; V88-Q119 WeakPolarHBondContact O-CG 3.39Å; V88-Q119 PolarHBondContact O-NE2 2.91Å
89D82.5Confident92.1Very high127 Ų12746.4 Ų46.468%0.67927%0.273SS*.THydrogen-bonded Turntrans-94.5-3.9-179.859.8-30.6000113.6A87 Q91A87-D89 VanDerWaalsContact C-N 3.26Å; A87-D89 PolarHBondContact O-N 3.18Å; D89-Q91 VanDerWaalsContact C-NE2 3.32Å; D89-Q91 PolarHBondContact O-NE2 2.96Å
90D87.4Confident92Very high67 Ų6746.7 Ų46.736%0.35828%0.275SS..  trans-106.1110.8180-172.31000110.7N85 A87 S92N85-D90 VanDerWaalsContact CB-O 3.31Å; N85-D90 WeakPolarHBondContact CB-O 3.5Å; N85-D90 PolarHBondContact ND2-O 2.97Å; A87-D90 HydrophobicContact CB-CB 3.94Å; A87-D90 PolarHBondContact O-N 3.17Å; D90-S92 WeakPolarHBondContact OD1-CA 3.32Å; D90-S92 VanDerWaalsContact OD1-CB 3.23Å; D90-S92 WeakPolarHBondContact OD1-CB 3.3Å; D90-S92 PolarHBondContact OD1-N 2.88Å; D90-S92 PolarHBondContact OD1-OG 2.79Å
91Q89.1Confident91.9Very high54 Ų5446.8 Ų46.825%0.25228%0.275SS..  trans-108.113170.9-55.679.140.100112V88 D89 M115 D117 I131V88-Q91 PolarHBondContact O-NE2 3.09Å; V88-Q91 VanDerWaalsContact O-NE2 3.15Å; D89-Q91 VanDerWaalsContact C-NE2 3.32Å; D89-Q91 PolarHBondContact O-NE2 2.96Å; Q91-M115 WeakPolarHBondContact O-CB 3.36Å; Q91-M115 WeakPolarHBondContact O-CG 3.31Å; Q91-D117 HydrophobicContact CG-CB 4.01Å; Q91-I131 HydrophobicContact CB-CD1 3.72Å
92S92.7Very high91.7Very high64 Ų6447.8 Ų47.845%0.44829%0.286SS..SBendtrans-77.3141.3178.275.20000110.8N85 D90 G94 M115N85-S92 PolarHBondContact ND2-O 2.87Å; D90-S92 WeakPolarHBondContact OD1-CA 3.32Å; D90-S92 VanDerWaalsContact OD1-CB 3.23Å; D90-S92 WeakPolarHBondContact OD1-CB 3.3Å; D90-S92 PolarHBondContact OD1-N 2.88Å; D90-S92 PolarHBondContact OD1-OG 2.79Å; S92-G94 PolarHBondContact O-N 2.61Å; S92-M115 WeakPolarHBondContact O-CE 3.47Å
93P94.4Very high91.4Very high34 Ų3454.2 Ų54.222%0.22131%0.31CS..  trans-72.8114.5177.330.3-35.7000110.5A97 L98 L113 M115 L133P93-A97 HydrophobicContact CB-CB 4.47Å; P93-L98 HydrophobicContact CB-CD2 3.84Å; P93-L98 HydrophobicContact CB-CG 4.11Å; P93-L98 HydrophobicContact CG-CD2 3.9Å; P93-L98 HydrophobicContact CG-CG 4.45Å; P93-L113 HydrophobicContact CB-CD2 3.67Å; P93-L113 HydrophobicContact CG-CD2 4.4Å; P93-M115 HydrophobicContact CB-CG 4.33Å; P93-M115 HydrophobicContact CB-SD 3.81Å; P93-L133 HydrophobicContact CG-CD2 3.96Å
94G93.4Very high91.3Very high24 Ų2454.1 Ų54.125%0.24731%0.31CS..  trans-68.3167.117400000113.2S92 L96 A97 L98S92-G94 PolarHBondContact O-N 2.61Å; G94-L96 PolarHBondContact O-N 3.16Å; G94-L96 VanDerWaalsContact O-N 3.13Å; G94-A97 PolarHBondContact O-N 3.37Å; G94-L98 WeakPolarHBondContact O-CG 3.48Å; G94-L98 PolarHBondContact O-N 3.06Å; G94-L98 VanDerWaalsContact O-N 3.08Å
95P93.3Very high91.2Very high114 Ų11454.5 Ų54.574%0.7431%0.313SS*.Hα-helixtrans-55.8-34.2-178.2-26.734.7000114.3K99P95-K99 VanDerWaalsContact O-CB 3.32Å; P95-K99 WeakPolarHBondContact O-CB 3.34Å; P95-K99 PolarHBondContact O-N 2.81Å
96L92.1Very high91.1Very high54 Ų5459.7 Ų59.728%0.28334%0.337SS..Hα-helixtrans-65-50.1176.4179.464.2000111.4L54 A55 G94 L98 K99 I100L54-L96 HydrophobicContact CB-CD2 3.55Å; L54-L96 WeakPolarHBondContact O-CD2 3.31Å; A55-L96 HydrophobicContact CB-CD2 4.38Å; G94-L96 PolarHBondContact O-N 3.16Å; G94-L96 VanDerWaalsContact O-N 3.13Å; L96-L98 VanDerWaalsContact C-N 3.31Å; L96-L98 PolarHBondContact O-N 2.75Å; L96-K99 PolarHBondContact O-N 2.89Å; L96-I100 HydrophobicContact CD1-CD1 3.85Å; L96-I100 HydrophobicContact CD1-CG1 4.2Å; L96-I100 HydrophobicContact CG-CD1 3.95Å; L96-I100 WeakPolarHBondContact O-CG1 3.35Å; L96-I100 PolarHBondContact O-N 3.31Å
97A94.9Very high91.2Very high1 Ų164.3 Ų64.31%0.00835%0.347CS..Hα-helixtrans-59-44.4178.600000111.4Y81 H83 P93 G94 K99 I100 A101 L113Y81-A97 HydrophobicContact CE1-CB 3.86Å; H83-A97 HydrophobicContact CB-CB 4.15Å; P93-A97 HydrophobicContact CB-CB 4.47Å; G94-A97 PolarHBondContact O-N 3.37Å; A97-K99 PolarHBondContact O-N 3.46Å; A97-I100 PolarHBondContact O-N 3.5Å; A97-A101 VanDerWaalsContact O-CB 3.23Å; A97-A101 WeakPolarHBondContact O-CB 3.32Å; A97-A101 PolarHBondContact O-N 2.88Å; A97-L113 HydrophobicContact CB-CD1 4.24Å
98L95.7Very high91.6Very high62 Ų6263.1 Ų63.133%0.32533%0.333SS..Hα-helixtrans-62.2-40.4176.6-64.5173.2000112.6P93 G94 L96 G102 L113 W140P93-L98 HydrophobicContact CB-CD2 3.84Å; P93-L98 HydrophobicContact CB-CG 4.11Å; P93-L98 HydrophobicContact CG-CD2 3.9Å; P93-L98 HydrophobicContact CG-CG 4.45Å; G94-L98 WeakPolarHBondContact O-CG 3.48Å; G94-L98 PolarHBondContact O-N 3.06Å; G94-L98 VanDerWaalsContact O-N 3.08Å; L96-L98 VanDerWaalsContact C-N 3.31Å; L96-L98 PolarHBondContact O-N 2.75Å; L98-G102 PolarHBondContact O-N 3.01Å; L98-L113 HydrophobicContact CD2-CD2 4.09Å; L98-W140 HydrophobicContact CD2-CB 3.73Å; L98-W140 HydrophobicContact CD2-CG 3.74Å
99K93.8Very high92.4Very high165 Ų16564.2 Ų64.272%0.71734%0.341SS*.Hα-helixtrans-67.3-44.7179.1-173.7177.6-179.5-1770111.8P95 L96 A97 R103P95-K99 VanDerWaalsContact O-CB 3.32Å; P95-K99 WeakPolarHBondContact O-CB 3.34Å; P95-K99 PolarHBondContact O-N 2.81Å; L96-K99 PolarHBondContact O-N 2.89Å; A97-K99 PolarHBondContact O-N 3.46Å; K99-R103 PolarHBondContact O-N 2.8Å
100I94.3Very high92.8Very high7 Ų763.5 Ų63.54%0.03634%0.338CS..Hα-helixtrans-66.4-50.2179.2-61.6175000110.1L60 Y81 L96 A97 G102 R103 I104L60-I100 HydrophobicContact CD1-CD1 4.37Å; L60-I100 HydrophobicContact CD1-CG2 4.44Å; L60-I100 HydrophobicContact CD2-CD1 3.68Å; L60-I100 HydrophobicContact CD2-CG1 3.62Å; L60-I100 HydrophobicContact CD2-CG2 4.36Å; Y81-I100 HydrophobicContact CD2-CG2 3.68Å; Y81-I100 HydrophobicContact CE2-CB 4.31Å; Y81-I100 HydrophobicContact CE2-CD1 4.04Å; Y81-I100 HydrophobicContact CE2-CG2 3.76Å; Y81-I100 HydrophobicContact CG-CG2 4.11Å; L96-I100 HydrophobicContact CD1-CD1 3.85Å; L96-I100 HydrophobicContact CD1-CG1 4.2Å; L96-I100 HydrophobicContact CG-CD1 3.95Å; L96-I100 WeakPolarHBondContact O-CG1 3.35Å; L96-I100 PolarHBondContact O-N 3.31Å; A97-I100 PolarHBondContact O-N 3.5Å; I100-G102 VanDerWaalsContact C-N 3.3Å; I100-G102 PolarHBondContact O-N 3.2Å; I100-R103 PolarHBondContact O-N 2.84Å; I100-R103 VanDerWaalsContact O-N 3.12Å; I100-I104 HydrophobicContact CG2-CD1 4.09Å; I100-I104 WeakPolarHBondContact O-CG1 3.36Å; I100-I104 PolarHBondContact O-N 2.82Å
101A95.7Very high93.2Very high1 Ų160.4 Ų60.41%0.00832%0.321CS..Hα-helixtrans-59.7-42177.500000111.5A97 R103 I104 A105 L113 W140A97-A101 VanDerWaalsContact O-CB 3.23Å; A97-A101 WeakPolarHBondContact O-CB 3.32Å; A97-A101 PolarHBondContact O-N 2.88Å; A101-R103 VanDerWaalsContact C-N 3.33Å; A101-R103 PolarHBondContact O-N 2.72Å; A101-I104 PolarHBondContact O-N 3.38Å; A101-A105 WeakPolarHBondContact O-CB 3.11Å; A101-A105 PolarHBondContact O-N 2.67Å; A101-L113 HydrophobicContact CB-CB 3.98Å; A101-L113 HydrophobicContact CB-CD1 4.25Å; A101-L113 HydrophobicContact CB-CD2 4.31Å; A101-L113 HydrophobicContact CB-CG 4.42Å; A101-W140 HydrophobicContact CB-CD2 4.4Å; A101-W140 HydrophobicContact CB-CH2 3.78Å; A101-W140 HydrophobicContact CB-CZ2 3.42Å; A101-W140 VanDerWaalsContact CB-CZ2 3.42Å; A101-W140 HydrophobicContact CB-CZ3 4.41Å; A101-W140 WeakPolarHBondContact O-CZ2 3.2Å
102G94.4Very high93.6Very high22 Ų2258 Ų5823%0.22731%0.31CS..Hα-helixtrans-58.9-42.2174.600000112.8L98 I100 A105 E106L98-G102 PolarHBondContact O-N 3.01Å; I100-G102 VanDerWaalsContact C-N 3.3Å; I100-G102 PolarHBondContact O-N 3.2Å; G102-A105 PolarHBondContact O-N 3.26Å; G102-E106 PolarHBondContact O-N 3.05Å
103R92.5Very high93.8Very high134 Ų13455 Ų5551%0.50629%0.289SS..Hα-helixtrans-65.4-40.1176.3-175.756.8172.3-177.31.8112.3K99 I100 A101 A105 E106 F107K99-R103 PolarHBondContact O-N 2.8Å; I100-R103 PolarHBondContact O-N 2.84Å; I100-R103 VanDerWaalsContact O-N 3.12Å; A101-R103 VanDerWaalsContact C-N 3.33Å; A101-R103 PolarHBondContact O-N 2.72Å; R103-A105 VanDerWaalsContact C-N 3.31Å; R103-E106 WeakPolarHBondContact CD-OE2 3.02Å; R103-E106 IonicContact CZ-OE2 3.59Å; R103-E106 IonicContact NE-OE2 3.81Å; R103-E106 IonicContact NH1-OE2 2.74Å; R103-E106 PolarHBondContact NH1-OE2 2.92Å; R103-E106 WeakPolarHBondContact O-CB 3.14Å; R103-E106 PolarHBondContact O-N 3.19Å; R103-F107 HydrophobicContact CG-CE2 4.39Å; R103-F107 VanDerWaalsContact O-CD2 3.23Å; R103-F107 WeakPolarHBondContact O-CD2 3.47Å
104I94.2Very high94Very high11 Ų1153.3 Ų53.36%0.05628%0.278CS..Hα-helixtrans-62.9-41.9174.2-65.5165.2000110L29 V78 Y81 I100 A101 E106 F107 F108 A111L29-I104 HydrophobicContact CD2-CD1 3.7Å; V78-I104 HydrophobicContact CG1-CD1 4.15Å; V78-I104 HydrophobicContact CG1-CG1 4.27Å; V78-I104 HydrophobicContact CG1-CG2 3.95Å; Y81-I104 HydrophobicContact CG-CD1 4.49Å; I100-I104 HydrophobicContact CG2-CD1 4.09Å; I100-I104 WeakPolarHBondContact O-CG1 3.36Å; I100-I104 PolarHBondContact O-N 2.82Å; A101-I104 PolarHBondContact O-N 3.38Å; I104-E106 PolarHBondContact O-N 3.34Å; I104-F107 PolarHBondContact O-N 3.39Å; I104-F108 PolarHBondContact O-N 2.96Å; I104-A111 HydrophobicContact CG2-CB 3.8Å
105A93.8Very high94.2Very high9 Ų952.3 Ų52.37%0.07427%0.267CS..Hα-helixtrans-64.4-21.2179.900000114.3A101 G102 R103 F107 F108 P109 A111 W140A101-A105 WeakPolarHBondContact O-CB 3.11Å; A101-A105 PolarHBondContact O-N 2.67Å; G102-A105 PolarHBondContact O-N 3.26Å; R103-A105 VanDerWaalsContact C-N 3.31Å; A105-F107 VanDerWaalsContact C-N 3.28Å; A105-F108 WeakPolarHBondContact CA-O 3.36Å; A105-F108 CarbonylContact O-C 3.53Å; A105-P109 WeakPolarHBondContact O-CA 3.47Å; A105-A111 HydrophobicContact CB-CB 4.42Å; A105-W140 HydrophobicContact CB-CH2 4.38Å; A105-W140 HydrophobicContact CB-CZ2 4.11Å
106E91.6Very high94.3Very high128 Ų12847 Ų4760%0.59823%0.233SC*.Hα-helixtrans-66.8-30.1171.6-69.1173.2-170.700112.4G102 R103 I104G102-E106 PolarHBondContact O-N 3.05Å; R103-E106 WeakPolarHBondContact CD-OE2 3.02Å; R103-E106 IonicContact CZ-OE2 3.59Å; R103-E106 IonicContact NE-OE2 3.81Å; R103-E106 IonicContact NH1-OE2 2.74Å; R103-E106 PolarHBondContact NH1-OE2 2.92Å; R103-E106 WeakPolarHBondContact O-CB 3.14Å; R103-E106 PolarHBondContact O-N 3.19Å; I104-E106 PolarHBondContact O-N 3.34Å
107F90.5Very high94.2Very high153 Ų15345 Ų4567%0.67122%0.222SC*.Hα-helixtrans-98.1-31.1178.2-58.5-79000112.5R103 I104 A105R103-F107 HydrophobicContact CG-CE2 4.39Å; R103-F107 VanDerWaalsContact O-CD2 3.23Å; R103-F107 WeakPolarHBondContact O-CD2 3.47Å; I104-F107 PolarHBondContact O-N 3.39Å; A105-F107 VanDerWaalsContact C-N 3.28Å
108F92Very high93.6Very high24 Ų2446.4 Ų46.411%0.10523%0.23CC..  trans-132.287.7-179.4-167.9-96.2000110.3P35 L41 V77 A79 I104 A105 D110 A111P35-F108 HydrophobicContact CG-CE2 3.47Å; P35-F108 VanDerWaalsContact CG-CE2 3.47Å; P35-F108 HydrophobicContact CG-CZ 3.67Å; L41-F108 HydrophobicContact CD1-CE1 4.01Å; L41-F108 HydrophobicContact CD1-CZ 3.89Å; L41-F108 HydrophobicContact CD2-CE1 4.11Å; V77-F108 HydrophobicContact CG2-CD2 4.16Å; V77-F108 HydrophobicContact CG2-CE2 3.96Å; A79-F108 HydrophobicContact CB-CD1 4Å; A79-F108 HydrophobicContact CB-CE1 3.68Å; A79-F108 HydrophobicContact CB-CZ 3.98Å; I104-F108 PolarHBondContact O-N 2.96Å; A105-F108 WeakPolarHBondContact CA-O 3.36Å; A105-F108 CarbonylContact O-C 3.53Å; F108-D110 HydrophobicContact CE1-CB 3.93Å; F108-D110 HydrophobicContact CZ-CB 4.44Å; F108-D110 PolarHBondContact O-N 2.91Å; F108-D110 VanDerWaalsContact O-N 3.08Å; F108-A111 HydrophobicContact CD1-CB 3.92Å; F108-A111 WeakPolarHBondContact O-CB 3.23Å; F108-A111 PolarHBondContact O-N 3.2Å
109P91.6Very high92.8Very high94 Ų9448.5 Ų48.561%0.6124%0.238SC*.THydrogen-bonded Turntrans-56.9-29.8-170.6-3037000115.7A105 A111A105-P109 WeakPolarHBondContact O-CA 3.47Å; P109-A111 PolarHBondContact O-N 2.88Å
110D92Very high92.1Very high112 Ų11244.9 Ų44.960%0.59922%0.222SC*.THydrogen-bonded Turntrans-85.213.4178.7-67.2-47.7000113.1L41 F108L41-D110 WeakPolarHBondContact CD2-O 3.24Å; F108-D110 HydrophobicContact CE1-CB 3.93Å; F108-D110 HydrophobicContact CZ-CB 4.44Å; F108-D110 PolarHBondContact O-N 2.91Å; F108-D110 VanDerWaalsContact O-N 3.08Å
111A94.8Very high91.2Very high2 Ų245.2 Ų45.22%0.01722%0.224CC..  trans-60144.3-178.900000112.2A79 I104 A105 F108 P109 W140A79-A111 VanDerWaalsContact O-CA 3.31Å; A79-A111 WeakPolarHBondContact O-CA 3.38Å; I104-A111 HydrophobicContact CG2-CB 3.8Å; A105-A111 HydrophobicContact CB-CB 4.42Å; F108-A111 HydrophobicContact CD1-CB 3.92Å; F108-A111 WeakPolarHBondContact O-CB 3.23Å; F108-A111 PolarHBondContact O-N 3.2Å; P109-A111 PolarHBondContact O-N 2.88Å; A111-W140 WeakPolarHBondContact O-CH2 3.44Å; A111-W140 WeakPolarHBondContact O-CZ3 3.5Å
112V97.1Very high90.1Very high3 Ų351 Ų512%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-110.7145.3176.5-63.50000112.1V4 L41 L43 A79 G80 Y81 I114 V132 L133V4-V112 HydrophobicContact CG2-CG1 4.36Å; V4-V112 HydrophobicContact CG2-CG2 4.41Å; L41-V112 HydrophobicContact CD2-CG1 4.26Å; L43-V112 HydrophobicContact CD1-CG2 3.82Å; L43-V112 HydrophobicContact CD2-CG2 4.45Å; A79-V112 PolarHBondContact O-N 3.49Å; G80-V112 CarbonylContact C-O 3.02Å; G80-V112 WeakPolarHBondContact CA-O 3.46Å; Y81-V112 PolarHBondContact N-O 2.92Å; V112-I114 HydrophobicContact CG2-CD1 4.36Å; V112-I114 HydrophobicContact CG2-CG1 4.23Å; V112-V132 HydrophobicContact CB-CG1 4.07Å; V112-V132 HydrophobicContact CG1-CG1 4.14Å; V112-L133 WeakPolarHBondContact CA-O 3.42Å
113L98.1Very high89Confident0 Ų054.1 Ų54.10%028%0.275CS..EExtended strand (participates in β ladder)trans-105.3122.4169166.263.7000108Y81 P93 A97 L98 A101 M115 L133 W140Y81-L113 HydrophobicContact CD1-CD1 3.52Å; Y81-L113 HydrophobicContact CE1-CD1 4.03Å; Y81-L113 CarbonylContact O-C 3.53Å; Y81-L113 WeakPolarHBondContact O-CA 3Å; P93-L113 HydrophobicContact CB-CD2 3.67Å; P93-L113 HydrophobicContact CG-CD2 4.4Å; A97-L113 HydrophobicContact CB-CD1 4.24Å; L98-L113 HydrophobicContact CD2-CD2 4.09Å; A101-L113 HydrophobicContact CB-CB 3.98Å; A101-L113 HydrophobicContact CB-CD1 4.25Å; A101-L113 HydrophobicContact CB-CD2 4.31Å; A101-L113 HydrophobicContact CB-CG 4.42Å; L113-M115 HydrophobicContact CD1-SD 4.1Å; L113-M115 HydrophobicContact CG-SD 4.37Å; L113-L133 HydrophobicContact CB-CB 4.19Å; L113-L133 HydrophobicContact CD2-CD1 4.3Å; L113-L133 HydrophobicContact CG-CB 4.49Å; L113-L133 HydrophobicContact CG-CD1 4.09Å; L113-L133 PolarHBondContact N-O 2.82Å; L113-L133 WeakPolarHBondContact O-CD1 3.42Å; L113-L133 PolarHBondContact O-N 2.9Å; L113-W140 HydrophobicContact CB-CD2 4.2Å; L113-W140 HydrophobicContact CB-CE3 3.55Å; L113-W140 HydrophobicContact CB-CH2 4.34Å; L113-W140 HydrophobicContact CB-CZ3 3.63Å; L113-W140 HydrophobicContact CD2-CD2 4.25Å; L113-W140 HydrophobicContact CD2-CE3 4.34Å; L113-W140 HydrophobicContact CD2-CG 4.32Å
114I98.3Very high88.1Confident0 Ų050.4 Ų50.40%026%0.263CS..EExtended strand (participates in β ladder)trans-112119.6179.5-54.7-165.5000109.9I6 M14 F30 L43 Y81 Y82 H83 V112 V130 I131 V132I6-I114 HydrophobicContact CD1-CD1 3.69Å; I6-I114 HydrophobicContact CG1-CD1 4.39Å; M14-I114 HydrophobicContact SD-CG2 4.41Å; F30-I114 HydrophobicContact CD2-CD1 4.17Å; F30-I114 HydrophobicContact CD2-CG1 4.42Å; F30-I114 HydrophobicContact CE2-CB 3.89Å; F30-I114 HydrophobicContact CE2-CD1 3.46Å; F30-I114 VanDerWaalsContact CE2-CD1 3.46Å; F30-I114 HydrophobicContact CE2-CG1 3.72Å; F30-I114 HydrophobicContact CZ-CD1 3.91Å; L43-I114 HydrophobicContact CD1-CD1 4Å; Y81-I114 PolarHBondContact O-N 3.01Å; Y82-I114 CarbonylContact C-O 3.58Å; Y82-I114 WeakPolarHBondContact CA-O 3.45Å; H83-I114 PolarHBondContact N-O 2.87Å; V112-I114 HydrophobicContact CG2-CD1 4.36Å; V112-I114 HydrophobicContact CG2-CG1 4.23Å; I114-V130 HydrophobicContact CG2-CB 3.83Å; I114-V130 HydrophobicContact CG2-CG1 4.05Å; I114-I131 CarbonylContact C-O 3.24Å; I114-I131 WeakPolarHBondContact CA-O 3.45Å; I114-V132 HydrophobicContact CD1-CG2 4.18Å; I114-V132 HydrophobicContact CG1-CG1 4.43Å; I114-V132 HydrophobicContact CG1-CG2 4.26Å
115M97.5Very high87.4Confident2 Ų251.1 Ų51.11%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-93.7121.7170.7-56.9-59.2-57.900109.1H83 Q91 S92 P93 L113 V130 I131 L133H83-M115 HydrophobicContact CB-CE 4.02Å; H83-M115 HydrophobicContact CB-SD 3.9Å; H83-M115 WeakPolarHBondContact O-CA 3.32Å; Q91-M115 WeakPolarHBondContact O-CB 3.36Å; Q91-M115 WeakPolarHBondContact O-CG 3.31Å; S92-M115 WeakPolarHBondContact O-CE 3.47Å; P93-M115 HydrophobicContact CB-CG 4.33Å; P93-M115 HydrophobicContact CB-SD 3.81Å; L113-M115 HydrophobicContact CD1-SD 4.1Å; L113-M115 HydrophobicContact CG-SD 4.37Å; M115-V130 CarbonylContact O-C 3.54Å; M115-V130 WeakPolarHBondContact O-CA 3.47Å; M115-I131 HydrophobicContact CB-CB 4.29Å; M115-I131 PolarHBondContact N-O 3.35Å; M115-I131 PolarHBondContact O-N 3.11Å; M115-L133 HydrophobicContact CG-CD1 3.73Å
116L95.4Very high86.9Confident4 Ų461.2 Ų61.22%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-92.4132.6177.6179.168.3000110.8M14 A18 H83 A84 N118 L121 P129 V130M14-L116 HydrophobicContact CE-CD1 4.02Å; M14-L116 HydrophobicContact CG-CD2 4.07Å; M14-L116 HydrophobicContact SD-CB 4.35Å; M14-L116 HydrophobicContact SD-CD1 4.49Å; M14-L116 HydrophobicContact SD-CD2 4.49Å; A18-L116 HydrophobicContact CB-CD2 3.58Å; H83-L116 PolarHBondContact O-N 3.03Å; A84-L116 HydrophobicContact CB-CB 3.88Å; A84-L116 HydrophobicContact CB-CD2 4.06Å; A84-L116 HydrophobicContact CB-CG 4.36Å; L116-N118 PolarHBondContact O-N 2.9Å; L116-L121 HydrophobicContact CD1-CD2 4.1Å; L116-L121 HydrophobicContact CD2-CD1 4.27Å; L116-L121 HydrophobicContact CD2-CD2 4.22Å; L116-L121 HydrophobicContact CG-CD2 4.47Å; L116-P129 HydrophobicContact CD1-CG 4.49Å; L116-V130 HydrophobicContact CD1-CG1 3.82Å
117D90.8Very high86.7Confident12 Ų1259.9 Ų59.96%0.06431%0.305CS..  trans-88.498172.6-178.3-8.6000110.5Q91 Q119 K120 P129Q91-D117 HydrophobicContact CG-CB 4.01Å; D117-Q119 VanDerWaalsContact C-N 3.28Å; D117-Q119 PolarHBondContact O-N 2.95Å; D117-Q119 WeakPolarHBondContact OD1-CB 3.26Å; D117-Q119 PolarHBondContact OD1-N 2.99Å; D117-Q119 VanDerWaalsContact OD1-N 3.14Å; D117-K120 PolarHBondContact O-N 2.84Å; D117-K120 VanDerWaalsContact OD2-CD 3.31Å; D117-K120 WeakPolarHBondContact OD2-CD 3.48Å; D117-K120 WeakPolarHBondContact OD2-CE 3.07Å; D117-K120 IonicContact OD2-NZ 3.23Å; D117-K120 PolarHBondContact OD2-NZ 3.06Å; D117-P129 HydrophobicContact CB-CB 4.09Å; D117-P129 WeakPolarHBondContact CB-O 3.49Å; D117-P129 PolarHBondContact N-O 2.82Å
118N81.9Confident86.6Confident30 Ų3054.2 Ų54.216%0.1628%0.284CS..G310 helixtrans-63.6-26.8-176.8-71.9-20.1000114A84 N85 L116 K120 L121A84-N118 VanDerWaalsContact CB-ND2 3.3Å; A84-N118 WeakPolarHBondContact CB-ND2 3.3Å; A84-N118 WeakPolarHBondContact CB-OD1 3.48Å; N85-N118 PolarHBondContact O-ND2 3.19Å; L116-N118 PolarHBondContact O-N 2.9Å; N118-K120 PolarHBondContact O-N 3.43Å; N118-L121 HydrophobicContact CB-CD1 4.48Å; N118-L121 PolarHBondContact O-N 2.94Å
119Q78.3Confident86.7Confident105 Ų10553.3 Ų53.349%0.49128%0.28SS..G310 helixtrans-63.8-30.4178.5-69.6-168.71300112.1V88 D117 P123V88-Q119 HydrophobicContact CB-CG 3.57Å; V88-Q119 HydrophobicContact CG1-CG 4.3Å; V88-Q119 HydrophobicContact CG2-CG 4.35Å; V88-Q119 VanDerWaalsContact CG2-NE2 3.33Å; V88-Q119 WeakPolarHBondContact O-CG 3.39Å; V88-Q119 PolarHBondContact O-NE2 2.91Å; D117-Q119 VanDerWaalsContact C-N 3.28Å; D117-Q119 PolarHBondContact O-N 2.95Å; D117-Q119 WeakPolarHBondContact OD1-CB 3.26Å; D117-Q119 PolarHBondContact OD1-N 2.99Å; D117-Q119 VanDerWaalsContact OD1-N 3.14Å; Q119-P123 VanDerWaalsContact O-CD 3.31Å; Q119-P123 WeakPolarHBondContact O-CD 3.47Å
120K79.3Confident86.8Confident90 Ų9050.1 Ų50.139%0.39126%0.259SS..G310 helixtrans-96.14.8-169.8-67.8-173.5-173.41220113.5D117 N118 P123 Q124 P125 P129D117-K120 PolarHBondContact O-N 2.84Å; D117-K120 VanDerWaalsContact OD2-CD 3.31Å; D117-K120 WeakPolarHBondContact OD2-CD 3.48Å; D117-K120 WeakPolarHBondContact OD2-CE 3.07Å; D117-K120 IonicContact OD2-NZ 3.23Å; D117-K120 PolarHBondContact OD2-NZ 3.06Å; N118-K120 PolarHBondContact O-N 3.43Å; K120-P123 HydrophobicContact CB-CG 4.49Å; K120-Q124 PolarHBondContact O-N 2.76Å; K120-P125 HydrophobicContact CB-CG 3.96Å; K120-P125 HydrophobicContact CD-CG 4.32Å; K120-P125 WeakPolarHBondContact O-CD 3.47Å; K120-P129 HydrophobicContact CB-CB 3.55Å; K120-P129 HydrophobicContact CB-CG 4.38Å; K120-P129 HydrophobicContact CD-CB 4.3Å
121L74.6Confident87Confident14 Ų1448 Ų487%0.07325%0.247CC..SBendtrans-65.1-51.4177.9-71.1173.2000112.5C15 A18 L116 N118C15-L121 HydrophobicContact CB-CD2 3.86Å; C15-L121 VanDerWaalsContact SG-CD2 3.53Å; A18-L121 HydrophobicContact CB-CD1 3.53Å; L116-L121 HydrophobicContact CD1-CD2 4.1Å; L116-L121 HydrophobicContact CD2-CD1 4.27Å; L116-L121 HydrophobicContact CD2-CD2 4.22Å; L116-L121 HydrophobicContact CG-CD2 4.47Å; N118-L121 HydrophobicContact CB-CD1 4.48Å; N118-L121 PolarHBondContact O-N 2.94Å
122V72.8Confident87.1Confident121 Ų12148.4 Ų48.473%0.73325%0.249SC*.THydrogen-bonded Turntrans-69.5-46.7179.5-178.30000113.5Q124V122-Q124 PolarHBondContact O-N 2.99Å; V122-Q124 VanDerWaalsContact O-N 3.11Å
123P73.1Confident87.1Confident88 Ų8848.7 Ų48.757%0.57125%0.25SS*.THydrogen-bonded Turntrans-73-1.4-177.330.1-37.6000114.2Q119 K120Q119-P123 VanDerWaalsContact O-CD 3.31Å; Q119-P123 WeakPolarHBondContact O-CD 3.47Å; K120-P123 HydrophobicContact CB-CG 4.49Å
124Q72.8Confident87Confident56 Ų5649.4 Ų49.426%0.26225%0.254SS..  trans40.766.4176-71.8175.246.100113K120 V122 R157K120-Q124 PolarHBondContact O-N 2.76Å; V122-Q124 PolarHBondContact O-N 2.99Å; V122-Q124 VanDerWaalsContact O-N 3.11Å; Q124-R157 HydrophobicContact CB-CG 3.96Å; Q124-R157 HydrophobicContact CG-CG 4.38Å; Q124-R157 PolarHBondContact O-NH1 3.43Å; Q124-R157 VanDerWaalsContact O-NH1 3.1Å; Q124-R157 PolarHBondContact OE1-O 3.43Å; Q124-R157 VanDerWaalsContact OE1-O 3.14Å
125P79.4Confident86.8Confident27 Ų2751.7 Ų51.718%0.17527%0.266CS..  trans-57.2157-176.728.6-39.9000111.7K120 V127 P129 R157K120-P125 HydrophobicContact CB-CG 3.96Å; K120-P125 HydrophobicContact CD-CG 4.32Å; K120-P125 WeakPolarHBondContact O-CD 3.47Å; P125-V127 WeakPolarHBondContact CG-O 3.45Å; P125-V127 PolarHBondContact O-N 2.74Å; P125-P129 HydrophobicContact CG-CB 4.15Å; P125-P129 HydrophobicContact CG-CG 4.28Å; P125-R157 WeakPolarHBondContact O-CD 3.2Å
126R82.8Confident86.5Confident221 Ų22156.3 Ų56.383%0.83429%0.288SS*.SBendtrans-65.1-19.5174.2-68.9-172.6179.3-147-0.5113.5W153R126-W153 PolarHBondContact O-NE1 3.11Å
127V87.1Confident85.9Confident100 Ų10059 Ų5961%0.60632%0.316SS*.SBendtrans-112.6142.7177.5-64.40000109.6P125P125-V127 WeakPolarHBondContact CG-O 3.45Å; P125-V127 PolarHBondContact O-N 2.74Å
128P90.2Very high85.4Confident33 Ų3366.8 Ų66.821%0.21436%0.357CS..  trans-54.2126.7176.9-22.128.3000112.2V130 W150 W153P128-V130 HydrophobicContact CB-CG2 3.99Å; P128-V130 PolarHBondContact O-N 2.92Å; P128-W150 HydrophobicContact CB-CH2 3.85Å; P128-W150 HydrophobicContact CB-CZ2 3.28Å; P128-W150 HydrophobicContact CG-CD2 4.03Å; P128-W150 VanDerWaalsContact CG-CE2 3.4Å; P128-W150 HydrophobicContact CG-CG 4.42Å; P128-W150 HydrophobicContact CG-CH2 4.36Å; P128-W150 HydrophobicContact CG-CZ2 3.6Å; P128-W153 HydrophobicContact CB-CE3 4.15Å; P128-W153 HydrophobicContact CB-CH2 3.9Å; P128-W153 HydrophobicContact CB-CZ2 4.23Å; P128-W153 HydrophobicContact CB-CZ3 3.82Å; P128-W153 HydrophobicContact CG-CD2 3.67Å; P128-W153 HydrophobicContact CG-CE3 3.68Å; P128-W153 HydrophobicContact CG-CG 4.32Å; P128-W153 HydrophobicContact CG-CH2 4.06Å; P128-W153 HydrophobicContact CG-CZ2 4.01Å; P128-W153 HydrophobicContact CG-CZ3 3.86Å
129P92.2Very high85.9Confident6 Ų674.6 Ų74.64%0.03938%0.384CS..SBendtrans-79.750.5-179.234.5-35.9000111.4Y11 L116 D117 K120 P125Y11-P129 WeakPolarHBondContact OH-CD 3.3Å; L116-P129 HydrophobicContact CD1-CG 4.49Å; D117-P129 HydrophobicContact CB-CB 4.09Å; D117-P129 WeakPolarHBondContact CB-O 3.49Å; D117-P129 PolarHBondContact N-O 2.82Å; K120-P129 HydrophobicContact CB-CB 3.55Å; K120-P129 HydrophobicContact CB-CG 4.38Å; K120-P129 HydrophobicContact CD-CB 4.3Å; P125-P129 HydrophobicContact CG-CB 4.15Å; P125-P129 HydrophobicContact CG-CG 4.28Å
130V94.4Very high86.7Confident26 Ų2671.2 Ų71.216%0.15837%0.367CS..EExtended strand (participates in β ladder)trans-133.2149.6-177.5-59.30000111.9Y11 M14 I114 M115 L116 P128 V132 W150Y11-V130 HydrophobicContact CE2-CG1 4.29Å; M14-V130 HydrophobicContact CE-CG1 3.95Å; I114-V130 HydrophobicContact CG2-CB 3.83Å; I114-V130 HydrophobicContact CG2-CG1 4.05Å; M115-V130 CarbonylContact O-C 3.54Å; M115-V130 WeakPolarHBondContact O-CA 3.47Å; L116-V130 HydrophobicContact CD1-CG1 3.82Å; P128-V130 HydrophobicContact CB-CG2 3.99Å; P128-V130 PolarHBondContact O-N 2.92Å; V130-V132 HydrophobicContact CG2-CG2 4.49Å; V130-W150 HydrophobicContact CG2-CH2 4.03Å; V130-W150 HydrophobicContact CG2-CZ2 3.6Å
131I95.8Very high87.5Confident69 Ų6968.9 Ų68.935%0.35436%0.36SS..EExtended strand (participates in β ladder)trans-115.7117.9168.3-55.4175000107.1Q91 I114 M115 L133Q91-I131 HydrophobicContact CB-CD1 3.72Å; I114-I131 CarbonylContact C-O 3.24Å; I114-I131 WeakPolarHBondContact CA-O 3.45Å; M115-I131 HydrophobicContact CB-CB 4.29Å; M115-I131 PolarHBondContact N-O 3.35Å; M115-I131 PolarHBondContact O-N 3.11Å; I131-L133 HydrophobicContact CG2-CD1 4.06Å; I131-L133 HydrophobicContact CG2-CG 4.44Å
132V97.6Very high88.6Confident10 Ų1072.7 Ų72.76%0.06139%0.386CS..EExtended strand (participates in β ladder)trans-94.4126.5175.5-174.50000108.6V4 I6 V112 I114 V130 K143 V148V4-V132 HydrophobicContact CG1-CG1 4.25Å; I6-V132 HydrophobicContact CD1-CG2 4.24Å; V112-V132 HydrophobicContact CB-CG1 4.07Å; V112-V132 HydrophobicContact CG1-CG1 4.14Å; I114-V132 HydrophobicContact CD1-CG2 4.18Å; I114-V132 HydrophobicContact CG1-CG1 4.43Å; I114-V132 HydrophobicContact CG1-CG2 4.26Å; V130-V132 HydrophobicContact CG2-CG2 4.49Å; V132-K143 HydrophobicContact CB-CB 4.43Å; V132-K143 HydrophobicContact CG1-CB 4.3Å; V132-K143 HydrophobicContact CG1-CD 4.2Å; V132-K143 PolarHBondContact O-N 3.42Å; V132-V148 HydrophobicContact CB-CG2 3.93Å; V132-V148 HydrophobicContact CG1-CG2 4.31Å; V132-V148 HydrophobicContact CG2-CG1 3.85Å; V132-V148 HydrophobicContact CG2-CG2 3.98Å
133L97.8Very high89.7Confident8 Ų868 Ų684%0.04236%0.355CS..EExtended strand (participates in β ladder)trans-112.4143.5174.3-5995.6000110P93 V112 L113 M115 I131 W140 V141P93-L133 HydrophobicContact CG-CD2 3.96Å; V112-L133 WeakPolarHBondContact CA-O 3.42Å; L113-L133 HydrophobicContact CB-CB 4.19Å; L113-L133 HydrophobicContact CD2-CD1 4.3Å; L113-L133 HydrophobicContact CG-CB 4.49Å; L113-L133 HydrophobicContact CG-CD1 4.09Å; L113-L133 PolarHBondContact N-O 2.82Å; L113-L133 WeakPolarHBondContact O-CD1 3.42Å; L113-L133 PolarHBondContact O-N 2.9Å; M115-L133 HydrophobicContact CG-CD1 3.73Å; I131-L133 HydrophobicContact CG2-CD1 4.06Å; I131-L133 HydrophobicContact CG2-CG 4.44Å; L133-W140 HydrophobicContact CB-CB 4.33Å; L133-W140 HydrophobicContact CB-CE3 4.1Å; L133-W140 HydrophobicContact CD2-CB 4.1Å; L133-V141 CarbonylContact C-O 3.59Å; L133-V141 WeakPolarHBondContact CA-O 3.38Å
134E95.8Very high90.7Very high15 Ų1567.8 Ų67.87%0.0735%0.35CS..EExtended strand (participates in β ladder)trans-115.8153.1173.560.2176.2-16500110.5Q136 W140 V141 K143E134-Q136 HydrophobicContact CG-CG 4.41Å; E134-Q136 PolarHBondContact OE1-NE2 3.02Å; E134-W140 WeakPolarHBondContact O-CA 3.38Å; E134-V141 HydrophobicContact CG-CG2 4.21Å; E134-V141 PolarHBondContact N-O 2.88Å; E134-V141 PolarHBondContact O-N 3.46Å; E134-K143 HydrophobicContact CG-CB 4.3Å; E134-K143 HydrophobicContact CG-CG 4.36Å; E134-K143 IonicContact OE2-NZ 3.9Å; E134-K143 PolarHBondContact OE2-NZ 3.09Å
135N94.2Very high91.6Very high49 Ų4973.9 Ų73.926%0.26238%0.375SS..EExtended strand (participates in β ladder)trans-84.5115176.5-171.312.9000110.9G137 R139 W140N135-G137 PolarHBondContact ND2-O 3.18Å; N135-G137 PolarHBondContact OD1-N 3.07Å; N135-G137 PolarHBondContact OD1-O 3.41Å; N135-R139 PolarHBondContact OD1-O 2.98Å; N135-W140 HydrophobicContact CB-CD2 4.36Å; N135-W140 HydrophobicContact CB-CE3 4.31Å; N135-W140 HydrophobicContact CB-CH2 3.91Å; N135-W140 HydrophobicContact CB-CZ2 3.92Å; N135-W140 HydrophobicContact CB-CZ3 4.11Å
136Q90.2Very high92.2Very high98 Ų9878.8 Ų78.846%0.45840%0.4SS..EExtended strand (participates in β ladder)trans-107.176.7170.3-67.2-174.211.500109.2E134 L138 R139 V141E134-Q136 HydrophobicContact CG-CG 4.41Å; E134-Q136 PolarHBondContact OE1-NE2 3.02Å; Q136-L138 PolarHBondContact O-N 3.13Å; Q136-R139 PolarHBondContact N-O 3.08Å; Q136-V141 HydrophobicContact CB-CG2 4.27Å; Q136-V141 HydrophobicContact CG-CG2 3.72Å
137G83.9Confident92.8Very high60 Ų6070.1 Ų70.162%0.61937%0.37SS*.THydrogen-bonded Turntrans79.1-94.4-178.800000112.9N135N135-G137 PolarHBondContact ND2-O 3.18Å; N135-G137 PolarHBondContact OD1-N 3.07Å; N135-G137 PolarHBondContact OD1-O 3.41Å
138L79.7Confident93.2Very high176 Ų17666.4 Ų66.492%0.92135%0.348SS*.THydrogen-bonded Turntrans-112.36.1-179.2-67.3176000113Q136Q136-L138 PolarHBondContact O-N 3.13Å
139R91.3Very high93.4Very high194 Ų19469 Ų6973%0.73236%0.358SS*.EExtended strand (participates in β ladder)trans-129.6136.8-176-66.3-175.3-178.3-179.71.1110.4N135 Q136 V141N135-R139 PolarHBondContact OD1-O 2.98Å; Q136-R139 PolarHBondContact N-O 3.08Å; R139-V141 HydrophobicContact CB-CG1 4.4Å
140W96.3Very high93.4Very high35 Ų3570.9 Ų70.913%0.13336%0.364CS..EExtended strand (participates in β ladder)trans-89.5119.7168.5-69.487.8000108.8L98 A101 A105 A111 L113 L133 E134 N135L98-W140 HydrophobicContact CD2-CB 3.73Å; L98-W140 HydrophobicContact CD2-CG 3.74Å; A101-W140 HydrophobicContact CB-CD2 4.4Å; A101-W140 HydrophobicContact CB-CH2 3.78Å; A101-W140 HydrophobicContact CB-CZ2 3.42Å; A101-W140 VanDerWaalsContact CB-CZ2 3.42Å; A101-W140 HydrophobicContact CB-CZ3 4.41Å; A101-W140 WeakPolarHBondContact O-CZ2 3.2Å; A105-W140 HydrophobicContact CB-CH2 4.38Å; A105-W140 HydrophobicContact CB-CZ2 4.11Å; A111-W140 WeakPolarHBondContact O-CH2 3.44Å; A111-W140 WeakPolarHBondContact O-CZ3 3.5Å; L113-W140 HydrophobicContact CB-CD2 4.2Å; L113-W140 HydrophobicContact CB-CE3 3.55Å; L113-W140 HydrophobicContact CB-CH2 4.34Å; L113-W140 HydrophobicContact CB-CZ3 3.63Å; L113-W140 HydrophobicContact CD2-CD2 4.25Å; L113-W140 HydrophobicContact CD2-CE3 4.34Å; L113-W140 HydrophobicContact CD2-CG 4.32Å; L133-W140 HydrophobicContact CB-CB 4.33Å; L133-W140 HydrophobicContact CB-CE3 4.1Å; L133-W140 HydrophobicContact CD2-CB 4.1Å; E134-W140 WeakPolarHBondContact O-CA 3.38Å; N135-W140 HydrophobicContact CB-CD2 4.36Å; N135-W140 HydrophobicContact CB-CE3 4.31Å; N135-W140 HydrophobicContact CB-CH2 3.91Å; N135-W140 HydrophobicContact CB-CZ2 3.92Å; N135-W140 HydrophobicContact CB-CZ3 4.11Å
141V96.2Very high92.8Very high40 Ų4076.9 Ų76.924%0.24238%0.384CS..EExtended strand (participates in β ladder)trans-124.9150-179.3-61.90000110.3L133 E134 Q136 R139 K143L133-V141 CarbonylContact C-O 3.59Å; L133-V141 WeakPolarHBondContact CA-O 3.38Å; E134-V141 HydrophobicContact CG-CG2 4.21Å; E134-V141 PolarHBondContact N-O 2.88Å; E134-V141 PolarHBondContact O-N 3.46Å; Q136-V141 HydrophobicContact CB-CG2 4.27Å; Q136-V141 HydrophobicContact CG-CG2 3.72Å; R139-V141 HydrophobicContact CB-CG1 4.4Å; V141-K143 PolarHBondContact O-N 2.99Å
142P96.7Very high92.3Very high95 Ų9577.3 Ų77.362%0.61739%0.387SS*.EExtended strand (participates in β ladder)trans-56.7129.5175.9-23.734.1000111
143K95.7Very high91.9Very high21 Ų2178.8 Ų78.89%0.09139%0.391CS..PPolyproline II helixtrans-71.4148.2175-164.1174.4-17276.80110G2 V4 V132 E134 V141 K145 L147 V148G2-K143 WeakPolarHBondContact O-CE 3.36Å; G2-K143 PolarHBondContact O-NZ 3.34Å; V4-K143 HydrophobicContact CG1-CD 3.82Å; V132-K143 HydrophobicContact CB-CB 4.43Å; V132-K143 HydrophobicContact CG1-CB 4.3Å; V132-K143 HydrophobicContact CG1-CD 4.2Å; V132-K143 PolarHBondContact O-N 3.42Å; E134-K143 HydrophobicContact CG-CB 4.3Å; E134-K143 HydrophobicContact CG-CG 4.36Å; E134-K143 IonicContact OE2-NZ 3.9Å; E134-K143 PolarHBondContact OE2-NZ 3.09Å; V141-K143 PolarHBondContact O-N 2.99Å; K143-K145 PolarHBondContact O-N 3.47Å; K143-L147 HydrophobicContact CD-CB 4.41Å; K143-L147 HydrophobicContact CG-CB 4.33Å; K143-V148 HydrophobicContact CB-CG2 4.38Å; K143-V148 HydrophobicContact CD-CG2 4.11Å; K143-V148 HydrophobicContact CG-CG2 4.41Å
144D94.4Very high91.6Very high85 Ų8582.5 Ų82.546%0.45541%0.409SS..PPolyproline II helixtrans-57.1129.1170.6-170.9-27.6000109.4N146 L147D144-N146 PolarHBondContact O-N 2.94Å; D144-N146 WeakPolarHBondContact OD1-CB 3.17Å; D144-N146 PolarHBondContact OD1-N 3.33Å; D144-N146 PolarHBondContact OD1-ND2 3.39Å; D144-N146 VanDerWaalsContact OD1-ND2 3.09Å; D144-L147 HydrophobicContact CB-CD1 4.05Å; D144-L147 HydrophobicContact CB-CG 4.12Å; D144-L147 WeakPolarHBondContact O-CB 3.34Å; D144-L147 PolarHBondContact O-N 3.15Å
145K91.7Very high91.3Very high183 Ų18384.2 Ų84.280%0.79642%0.417SS*.G310 helixtrans-60.1-27.8-179.7-65-177.6178.9-178.70112.4K143 L147 V148K143-K145 PolarHBondContact O-N 3.47Å; K145-L147 PolarHBondContact O-N 3.38Å; K145-V148 PolarHBondContact O-N 2.76Å
146N92.8Very high91.3Very high130 Ų13081.9 Ų81.970%0.69540%0.404SS*.G310 helixtrans-70.7-15.5176.5-58.4-46000112.9D144D144-N146 PolarHBondContact O-N 2.94Å; D144-N146 WeakPolarHBondContact OD1-CB 3.17Å; D144-N146 PolarHBondContact OD1-N 3.33Å; D144-N146 PolarHBondContact OD1-ND2 3.39Å; D144-N146 VanDerWaalsContact OD1-ND2 3.09Å
147L94.2Very high91.3Very high39 Ų3979.6 Ų79.620%0.20439%0.391CS..G310 helixtrans-98.62176.5-59.4176.7000112.4M1 E3 V4 K143 D144 K145M1-L147 HydrophobicContact CB-CD1 4.15Å; E3-L147 WeakPolarHBondContact CA-O 3.46Å; E3-L147 HydrophobicContact CG-CD2 3.95Å; V4-L147 PolarHBondContact N-O 3.22Å; K143-L147 HydrophobicContact CD-CB 4.41Å; K143-L147 HydrophobicContact CG-CB 4.33Å; D144-L147 HydrophobicContact CB-CD1 4.05Å; D144-L147 HydrophobicContact CB-CG 4.12Å; D144-L147 WeakPolarHBondContact O-CB 3.34Å; D144-L147 PolarHBondContact O-N 3.15Å; K145-L147 PolarHBondContact O-N 3.38Å
148V95.9Very high91.7Very high23 Ų2381.3 Ų81.314%0.13938%0.384CS..EExtended strand (participates in β ladder)trans-107.3103.7177-177.60000108.5V4 I6 V132 K143 K145V4-V148 HydrophobicContact CG1-CB 4.38Å; V4-V148 HydrophobicContact CG1-CG1 4.41Å; V4-V148 HydrophobicContact CG1-CG2 4Å; I6-V148 HydrophobicContact CD1-CG1 4.25Å; V132-V148 HydrophobicContact CB-CG2 3.93Å; V132-V148 HydrophobicContact CG1-CG2 4.31Å; V132-V148 HydrophobicContact CG2-CG1 3.85Å; V132-V148 HydrophobicContact CG2-CG2 3.98Å; K143-V148 HydrophobicContact CB-CG2 4.38Å; K143-V148 HydrophobicContact CD-CG2 4.11Å; K143-V148 HydrophobicContact CG-CG2 4.41Å; K145-V148 PolarHBondContact O-N 2.76Å
149M94.8Very high92.3Very high86 Ų8673 Ų7342%0.42434%0.34SS..EExtended strand (participates in β ladder)trans-99.1147.3-175.9-57.2-61-80.500110.7V4 E5 I6V4-M149 PolarHBondContact O-N 3.42Å; E5-M149 WeakPolarHBondContact CA-O 3.4Å; E5-M149 HydrophobicContact CB-CB 4.25Å; E5-M149 HydrophobicContact CG-CB 4.43Å; I6-M149 PolarHBondContact N-O 3.02Å
150W93.1Very high92.3Very high47 Ų4764 Ų6418%0.17831%0.306CS..EExtended strand (participates in β ladder)trans-125.2125.5173.4-63.981.7000106.5I6 Y11 P128 V130 W153I6-W150 HydrophobicContact CB-CE3 4.16Å; I6-W150 HydrophobicContact CB-CH2 4.25Å; I6-W150 HydrophobicContact CB-CZ3 4.01Å; I6-W150 HydrophobicContact CD1-CH2 3.83Å; I6-W150 HydrophobicContact CD1-CZ2 3.73Å; I6-W150 HydrophobicContact CD1-CZ3 4.46Å; I6-W150 HydrophobicContact CG2-CE3 4.44Å; I6-W150 HydrophobicContact CG2-CH2 4.16Å; I6-W150 HydrophobicContact CG2-CZ3 3.88Å; Y11-W150 HydrophobicContact CD1-CZ3 4.31Å; Y11-W150 AromaticContact CD2-CH2 3.52Å; Y11-W150 HydrophobicContact CD2-CH2 3.52Å; Y11-W150 AromaticContact CD2-CZ3 3.49Å; Y11-W150 HydrophobicContact CD2-CZ3 3.49Å; Y11-W150 VanDerWaalsContact CD2-CZ3 3.49Å; Y11-W150 AromaticContact CE2-CH2 3.89Å; Y11-W150 HydrophobicContact CE2-CH2 3.89Å; Y11-W150 HydrophobicContact CE2-CZ3 4.09Å; Y11-W150 HydrophobicContact CG-CH2 4.15Å; Y11-W150 AromaticContact CG-CZ3 3.62Å; Y11-W150 HydrophobicContact CG-CZ3 3.62Å; P128-W150 HydrophobicContact CB-CH2 3.85Å; P128-W150 HydrophobicContact CB-CZ2 3.28Å; P128-W150 HydrophobicContact CG-CD2 4.03Å; P128-W150 VanDerWaalsContact CG-CE2 3.4Å; P128-W150 HydrophobicContact CG-CG 4.42Å; P128-W150 HydrophobicContact CG-CH2 4.36Å; P128-W150 HydrophobicContact CG-CZ2 3.6Å; V130-W150 HydrophobicContact CG2-CH2 4.03Å; V130-W150 HydrophobicContact CG2-CZ2 3.6Å; W150-W153 HydrophobicContact CB-CB 3.88Å; W150-W153 HydrophobicContact CD2-CE3 4.12Å; W150-W153 AromaticContact CE3-CE3 3.83Å; W150-W153 HydrophobicContact CE3-CE3 3.83Å; W150-W153 HydrophobicContact CE3-CZ3 4.36Å; W150-W153 HydrophobicContact CG-CB 4.27Å; W150-W153 HydrophobicContact CH2-CZ3 4.43Å; W150-W153 HydrophobicContact CZ3-CE3 4.09Å; W150-W153 HydrophobicContact CZ3-CZ3 4.15Å
151R80.5Confident92.2Very high152 Ų15262.4 Ų62.457%0.57430%0.301SS*.SBendtrans-59.6-52.9-179.8-167.9176-71.2-157.1-4.3110.6E5E5-R151 IonicContact OE1-CZ 2.7Å; E5-R151 VanDerWaalsContact OE1-CZ 3.25Å; E5-R151 IonicContact OE1-NE 3.16Å; E5-R151 PolarHBondContact OE1-NE 3.31Å; E5-R151 IonicContact OE1-NH2 3.5Å; E5-R151 PolarHBondContact OE1-NH2 3.34Å
152D85.1Confident92Very high78 Ų7862 Ų6242%0.41730%0.302SS..SBendtrans-144.784.2176.9-64.6-69.5000110.4E155 S156D152-E155 HydrophobicContact CB-CB 3.82Å; D152-S156 WeakPolarHBondContact O-CB 3.47Å; D152-S156 PolarHBondContact O-N 3.37Å; D152-S156 PolarHBondContact O-OG 3.29Å
153W90.6Very high91.8Very high40 Ų4058.7 Ų58.715%0.15228%0.279CS..Hα-helixtrans-63-46.8-175.5167.6-119.3000113.1Y11 R126 P128 W150 E155 S156 R157Y11-W153 HydrophobicContact CD1-CZ3 4.33Å; Y11-W153 HydrophobicContact CE1-CH2 4.2Å; Y11-W153 AromaticContact CE1-CZ3 3.63Å; Y11-W153 HydrophobicContact CE1-CZ3 3.63Å; Y11-W153 HydrophobicContact CE2-CZ3 4.11Å; Y11-W153 AromaticContact CZ-CH2 3.85Å; Y11-W153 AromaticContact CZ-CZ3 3.52Å; Y11-W153 WeakPolarHBondContact OH-CH2 3.34Å; R126-W153 PolarHBondContact O-NE1 3.11Å; P128-W153 HydrophobicContact CB-CE3 4.15Å; P128-W153 HydrophobicContact CB-CH2 3.9Å; P128-W153 HydrophobicContact CB-CZ2 4.23Å; P128-W153 HydrophobicContact CB-CZ3 3.82Å; P128-W153 HydrophobicContact CG-CD2 3.67Å; P128-W153 HydrophobicContact CG-CE3 3.68Å; P128-W153 HydrophobicContact CG-CG 4.32Å; P128-W153 HydrophobicContact CG-CH2 4.06Å; P128-W153 HydrophobicContact CG-CZ2 4.01Å; P128-W153 HydrophobicContact CG-CZ3 3.86Å; W150-W153 HydrophobicContact CB-CB 3.88Å; W150-W153 HydrophobicContact CD2-CE3 4.12Å; W150-W153 AromaticContact CE3-CE3 3.83Å; W150-W153 HydrophobicContact CE3-CE3 3.83Å; W150-W153 HydrophobicContact CE3-CZ3 4.36Å; W150-W153 HydrophobicContact CG-CB 4.27Å; W150-W153 HydrophobicContact CH2-CZ3 4.43Å; W150-W153 HydrophobicContact CZ3-CE3 4.09Å; W150-W153 HydrophobicContact CZ3-CZ3 4.15Å; W153-E155 VanDerWaalsContact C-N 3.3Å; W153-E155 PolarHBondContact O-N 3.28Å; W153-S156 PolarHBondContact O-N 3.26Å; W153-R157 HydrophobicContact CH2-CB 4.38Å; W153-R157 HydrophobicContact CZ2-CB 4.23Å; W153-R157 HydrophobicContact CZ2-CG 4.36Å; W153-R157 WeakPolarHBondContact O-CB 3.45Å; W153-R157 PolarHBondContact O-N 3.04Å
154E90.8Very high91.6Very high86 Ų8659.1 Ų59.140%0.40228%0.282SS..Hα-helixtrans-63.8-40.2-176.9-178.357.4-146.100111.2R157 Q158E154-R157 PolarHBondContact O-N 2.92Å; E154-R157 IonicContact OE1-CZ 3.68Å; E154-R157 IonicContact OE1-NE 3.26Å; E154-R157 IonicContact OE1-NH2 3.38Å; E154-R157 PolarHBondContact OE1-NH2 3.49Å; E154-R157 IonicContact OE2-CZ 3.52Å; E154-R157 IonicContact OE2-NE 3.83Å; E154-R157 PolarHBondContact OE2-NE 3.38Å; E154-R157 IonicContact OE2-NH2 2.67Å; E154-R157 PolarHBondContact OE2-NH2 2.86Å; E154-Q158 WeakPolarHBondContact O-CG 3.47Å; E154-Q158 PolarHBondContact O-N 3.2Å; E154-Q158 PolarHBondContact OE1-NE2 3.26Å
155E90.1Very high91.5Very high51 Ų5162.6 Ų62.624%0.23830%0.296CS..Hα-helixtrans-64.4-50.1174.7-169.3177.4175.100111D152 W153 R157 Q158 M159 W198 V199D152-E155 HydrophobicContact CB-CB 3.82Å; W153-E155 VanDerWaalsContact C-N 3.3Å; W153-E155 PolarHBondContact O-N 3.28Å; E155-R157 PolarHBondContact O-N 3.45Å; E155-Q158 PolarHBondContact O-N 3.33Å; E155-M159 WeakPolarHBondContact O-CB 3.35Å; E155-M159 PolarHBondContact O-N 2.83Å; E155-W198 HydrophobicContact CB-CZ3 4.37Å; E155-W198 HydrophobicContact CG-CE3 3.76Å; E155-W198 HydrophobicContact CG-CH2 4.48Å; E155-W198 HydrophobicContact CG-CZ3 3.36Å; E155-W198 WeakPolarHBondContact O-CZ3 3.31Å; E155-V199 WeakPolarHBondContact OE1-CA 3.32Å
156S92.3Very high91.6Very high1 Ų159.9 Ų59.91%0.00729%0.29CS..Hα-helixtrans-55-39.9176.4-57.90000112.1A8 D152 W153 V160A8-S156 WeakPolarHBondContact CA-OG 3.33Å; A8-S156 VanDerWaalsContact CB-OG 3.3Å; A8-S156 WeakPolarHBondContact CB-OG 3.3Å; D152-S156 WeakPolarHBondContact O-CB 3.47Å; D152-S156 PolarHBondContact O-N 3.37Å; D152-S156 PolarHBondContact O-OG 3.29Å; W153-S156 PolarHBondContact O-N 3.26Å; S156-V160 WeakPolarHBondContact O-CG2 3.3Å; S156-V160 PolarHBondContact O-N 2.94Å; S156-V160 VanDerWaalsContact O-N 3.08Å
157R91.6Very high91.6Very high49 Ų4961.1 Ų61.119%0.18529%0.285CS..Hα-helixtrans-64.8-51177.7-176.5178.173.1130.2-3.9111.9Q124 P125 W153 E154 E155 M159 V160 G161Q124-R157 HydrophobicContact CB-CG 3.96Å; Q124-R157 HydrophobicContact CG-CG 4.38Å; Q124-R157 PolarHBondContact O-NH1 3.43Å; Q124-R157 VanDerWaalsContact O-NH1 3.1Å; Q124-R157 PolarHBondContact OE1-O 3.43Å; Q124-R157 VanDerWaalsContact OE1-O 3.14Å; P125-R157 WeakPolarHBondContact O-CD 3.2Å; W153-R157 HydrophobicContact CH2-CB 4.38Å; W153-R157 HydrophobicContact CZ2-CB 4.23Å; W153-R157 HydrophobicContact CZ2-CG 4.36Å; W153-R157 WeakPolarHBondContact O-CB 3.45Å; W153-R157 PolarHBondContact O-N 3.04Å; E154-R157 PolarHBondContact O-N 2.92Å; E154-R157 IonicContact OE1-CZ 3.68Å; E154-R157 IonicContact OE1-NE 3.26Å; E154-R157 IonicContact OE1-NH2 3.38Å; E154-R157 PolarHBondContact OE1-NH2 3.49Å; E154-R157 IonicContact OE2-CZ 3.52Å; E154-R157 IonicContact OE2-NE 3.83Å; E154-R157 PolarHBondContact OE2-NE 3.38Å; E154-R157 IonicContact OE2-NH2 2.67Å; E154-R157 PolarHBondContact OE2-NH2 2.86Å; E155-R157 PolarHBondContact O-N 3.45Å; R157-M159 VanDerWaalsContact C-N 3.28Å; R157-M159 PolarHBondContact O-N 3.23Å; R157-V160 PolarHBondContact O-N 3.07Å; R157-G161 PolarHBondContact O-N 3.35Å; R157-G161 VanDerWaalsContact O-N 3.15Å
158Q91.7Very high91.6Very high97 Ų9759.6 Ų59.645%0.45328%0.278SS..Hα-helixtrans-61.5-39178.8-71.3174.717.300111.6E154 E155 G161 A162 W198E154-Q158 WeakPolarHBondContact O-CG 3.47Å; E154-Q158 PolarHBondContact O-N 3.2Å; E154-Q158 PolarHBondContact OE1-NE2 3.26Å; E155-Q158 PolarHBondContact O-N 3.33Å; Q158-G161 PolarHBondContact O-N 3.42Å; Q158-A162 PolarHBondContact O-N 2.99Å; Q158-W198 HydrophobicContact CB-CH2 3.59Å; Q158-W198 HydrophobicContact CB-CZ2 4.48Å; Q158-W198 HydrophobicContact CB-CZ3 4.35Å
159M91.9Very high91.5Very high2 Ų260 Ų601%0.0128%0.278CS..Hα-helixtrans-63.5-45.7177.1-165.4-165.3-54.100112.4A8 V12 E155 R157 G161 A162 L163 I195 W198 V199A8-M159 HydrophobicContact CB-CE 4.37Å; V12-M159 HydrophobicContact CG1-SD 4.36Å; V12-M159 HydrophobicContact CG2-CB 4.47Å; V12-M159 HydrophobicContact CG2-CG 4.46Å; V12-M159 HydrophobicContact CG2-SD 3.73Å; E155-M159 WeakPolarHBondContact O-CB 3.35Å; E155-M159 PolarHBondContact O-N 2.83Å; R157-M159 VanDerWaalsContact C-N 3.28Å; R157-M159 PolarHBondContact O-N 3.23Å; M159-G161 PolarHBondContact O-N 3.47Å; M159-A162 PolarHBondContact O-N 3.41Å; M159-L163 HydrophobicContact CG-CD1 3.81Å; M159-L163 HydrophobicContact CG-CG 4.29Å; M159-L163 WeakPolarHBondContact O-CB 3.46Å; M159-L163 WeakPolarHBondContact O-CG 3.36Å; M159-L163 PolarHBondContact O-N 3.16Å; M159-L163 HydrophobicContact SD-CD1 4.07Å; M159-I195 HydrophobicContact CE-CG2 4.15Å; M159-I195 HydrophobicContact SD-CB 4.08Å; M159-I195 HydrophobicContact SD-CG1 4Å; M159-I195 HydrophobicContact SD-CG2 3.66Å; M159-W198 HydrophobicContact CB-CD2 4.09Å; M159-W198 HydrophobicContact CB-CE3 3.64Å; M159-W198 HydrophobicContact CB-CH2 4.06Å; M159-W198 HydrophobicContact CB-CZ2 4.49Å; M159-W198 HydrophobicContact CB-CZ3 3.58Å; M159-W198 HydrophobicContact CE-CB 3.96Å; M159-W198 HydrophobicContact CE-CD2 4.08Å; M159-W198 HydrophobicContact CE-CE3 3.48Å; M159-W198 VanDerWaalsContact CE-CE3 3.48Å; M159-W198 HydrophobicContact CE-CG 4.32Å; M159-W198 HydrophobicContact CE-CZ3 4.28Å; M159-W198 HydrophobicContact CG-CB 4.48Å; M159-W198 HydrophobicContact CG-CD2 3.84Å; M159-W198 HydrophobicContact CG-CE3 3.81Å; M159-W198 HydrophobicContact CG-CG 4.17Å; M159-W198 HydrophobicContact CG-CZ3 4.26Å; M159-W198 HydrophobicContact SD-CB 4.37Å; M159-W198 HydrophobicContact SD-CE3 4.45Å; M159-V199 HydrophobicContact CE-CG2 3.44Å; M159-V199 VanDerWaalsContact CE-CG2 3.44Å
160V92.9Very high91.5Very high3 Ų361 Ų612%0.01828%0.282CS..Hα-helixtrans-56.2-42.5174.4169.10000109.8Y11 V12 C15 S156 R157 L164Y11-V160 HydrophobicContact CD1-CG2 4.07Å; Y11-V160 HydrophobicContact CE1-CG2 3.74Å; V12-V160 HydrophobicContact CB-CG2 4.28Å; V12-V160 HydrophobicContact CG1-CG2 4.47Å; V12-V160 HydrophobicContact CG2-CG2 3.73Å; C15-V160 HydrophobicContact CB-CG1 4.08Å; C15-V160 HydrophobicContact CB-CG2 4.07Å; S156-V160 WeakPolarHBondContact O-CG2 3.3Å; S156-V160 PolarHBondContact O-N 2.94Å; S156-V160 VanDerWaalsContact O-N 3.08Å; R157-V160 PolarHBondContact O-N 3.07Å; V160-L164 HydrophobicContact CG1-CD1 3.69Å; V160-L164 HydrophobicContact CG1-CG 4.16Å; V160-L164 WeakPolarHBondContact O-CB 3.39Å; V160-L164 WeakPolarHBondContact O-CG 3.45Å; V160-L164 PolarHBondContact O-N 3.24Å
161G92.2Very high91.6Very high3 Ų364.5 Ų64.53%0.03130%0.3CS..Hα-helixtrans-58-55175.600000114.2R157 Q158 M159 L163 L164 E165R157-G161 PolarHBondContact O-N 3.35Å; R157-G161 VanDerWaalsContact O-N 3.15Å; Q158-G161 PolarHBondContact O-N 3.42Å; M159-G161 PolarHBondContact O-N 3.47Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-L163 PolarHBondContact O-N 2.77Å; G161-L164 PolarHBondContact O-N 3.02Å; G161-E165 WeakPolarHBondContact O-CG 3.19Å; G161-E165 PolarHBondContact O-N 2.86Å
162A92.4Very high92.4Very high32 Ų3257.6 Ų57.626%0.26427%0.274SS..Hα-helixtrans-58-45.9179.400000111.8Q158 M159 L164 E165 D166Q158-A162 PolarHBondContact O-N 2.99Å; M159-A162 PolarHBondContact O-N 3.41Å; A162-L164 VanDerWaalsContact C-N 3.32Å; A162-L164 PolarHBondContact O-N 3.45Å; A162-E165 PolarHBondContact O-N 3.43Å; A162-D166 WeakPolarHBondContact O-CB 3.37Å; A162-D166 PolarHBondContact O-N 2.85Å
163L93.2Very high93Very high24 Ų2454.3 Ų54.313%0.12626%0.257CS..Hα-helixtrans-68.8-29-179.8-69.9174.8000113.1V12 L16 M159 G161 R167 A168 I195V12-L163 HydrophobicContact CG1-CD1 3.51Å; L16-L163 HydrophobicContact CD1-CB 4.47Å; L16-L163 HydrophobicContact CD1-CD1 4.22Å; L16-L163 HydrophobicContact CD2-CB 4.04Å; M159-L163 HydrophobicContact CG-CD1 3.81Å; M159-L163 HydrophobicContact CG-CG 4.29Å; M159-L163 WeakPolarHBondContact O-CB 3.46Å; M159-L163 WeakPolarHBondContact O-CG 3.36Å; M159-L163 PolarHBondContact O-N 3.16Å; M159-L163 HydrophobicContact SD-CD1 4.07Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-L163 PolarHBondContact O-N 2.77Å; L163-R167 PolarHBondContact O-N 2.88Å; L163-A168 HydrophobicContact CB-CB 3.97Å; L163-A168 HydrophobicContact CD2-CB 3.82Å; L163-A168 HydrophobicContact CG-CB 4.47Å; L163-A168 VanDerWaalsContact O-CB 3.3Å; L163-A168 WeakPolarHBondContact O-CB 3.41Å; L163-A168 PolarHBondContact O-N 3.47Å; L163-I195 HydrophobicContact CD1-CG1 3.98Å
164L91.9Very high93.4Very high30 Ų3052.4 Ų52.416%0.15725%0.25CC..Hα-helixtrans-72.4-41.5172.6-72.7176.8000111.7L16 A19 V160 G161 A162 D166 R167 H169L16-L164 HydrophobicContact CD2-CD2 3.82Å; L16-L164 HydrophobicContact CD2-CG 4.3Å; A19-L164 HydrophobicContact CB-CD2 3.36Å; V160-L164 HydrophobicContact CG1-CD1 3.69Å; V160-L164 HydrophobicContact CG1-CG 4.16Å; V160-L164 WeakPolarHBondContact O-CB 3.39Å; V160-L164 WeakPolarHBondContact O-CG 3.45Å; V160-L164 PolarHBondContact O-N 3.24Å; G161-L164 PolarHBondContact O-N 3.02Å; A162-L164 VanDerWaalsContact C-N 3.32Å; A162-L164 PolarHBondContact O-N 3.45Å; L164-D166 VanDerWaalsContact C-N 3.35Å; L164-R167 PolarHBondContact O-N 2.95Å; L164-R167 VanDerWaalsContact O-N 3.11Å; L164-H169 HydrophobicContact CD2-CB 4.27Å
165E92.4Very high93.7Very high159 Ų15948.3 Ų48.374%0.74323%0.231SC*.Hα-helixtrans-60.6-43.8174.5-72.5177.1-175.300111.5G161 A162 R167G161-E165 WeakPolarHBondContact O-CG 3.19Å; G161-E165 PolarHBondContact O-N 2.86Å; A162-E165 PolarHBondContact O-N 3.43Å; E165-R167 PolarHBondContact O-N 2.76Å
166D92.3Very high94Very high125 Ų12546.9 Ų46.967%0.66823%0.225SC*.THydrogen-bonded Turntrans-74.3-0.6176.2-72.7-16.9000113.7A162 L164 A168A162-D166 WeakPolarHBondContact O-CB 3.37Å; A162-D166 PolarHBondContact O-N 2.85Å; L164-D166 VanDerWaalsContact C-N 3.35Å; D166-A168 PolarHBondContact O-N 3.15Å
167R93.6Very high94.2Very high156 Ų15647.8 Ų47.859%0.58923%0.231SC*.THydrogen-bonded Turntrans58.427.9-178.2-52.8-179.4179.5-172.9-1.5114.2L163 L164 E165 H169 Q170L163-R167 PolarHBondContact O-N 2.88Å; L164-R167 PolarHBondContact O-N 2.95Å; L164-R167 VanDerWaalsContact O-N 3.11Å; E165-R167 PolarHBondContact O-N 2.76Å; R167-H169 PolarHBondContact O-N 2.85Å; R167-H169 VanDerWaalsContact O-N 3.09Å; R167-Q170 HydrophobicContact CB-CG 4.2Å; R167-Q170 WeakPolarHBondContact O-CB 3.43Å; R167-Q170 PolarHBondContact O-N 2.91Å
168A93.8Very high94.4Very high7 Ų746.6 Ų46.66%0.05823%0.227CC..G310 helixtrans-58.2-25.8177.500000113L163 D166 Q170 H171 L172 L191L163-A168 HydrophobicContact CB-CB 3.97Å; L163-A168 HydrophobicContact CD2-CB 3.82Å; L163-A168 HydrophobicContact CG-CB 4.47Å; L163-A168 VanDerWaalsContact O-CB 3.3Å; L163-A168 WeakPolarHBondContact O-CB 3.41Å; L163-A168 PolarHBondContact O-N 3.47Å; D166-A168 PolarHBondContact O-N 3.15Å; A168-Q170 PolarHBondContact O-N 3.29Å; A168-H171 WeakPolarHBondContact O-CB 3.45Å; A168-H171 PolarHBondContact O-N 3.24Å; A168-L172 PolarHBondContact O-N 2.73Å; A168-L191 HydrophobicContact CB-CD1 4.47Å
169H94.1Very high94.5Very high31 Ų3145 Ų4514%0.14422%0.222CC..G310 helixtrans-59.7-28.9173.560.2-87.8000113.4L16 A19 R20 L164 R167 H171 L172L16-H169 HydrophobicContact CB-CB 4.11Å; L16-H169 HydrophobicContact CD2-CB 3.82Å; L16-H169 WeakPolarHBondContact O-CB 3.29Å; A19-H169 HydrophobicContact CB-CB 4.23Å; R20-H169 HydrophobicContact CB-CB 4.47Å; R20-H169 VanDerWaalsContact CD-O 3.31Å; R20-H169 WeakPolarHBondContact CD-O 3.37Å; R20-H169 WeakPolarHBondContact CG-O 3.38Å; L164-H169 HydrophobicContact CD2-CB 4.27Å; R167-H169 PolarHBondContact O-N 2.85Å; R167-H169 VanDerWaalsContact O-N 3.09Å; H169-H171 PolarHBondContact O-N 2.94Å; H169-L172 WeakPolarHBondContact O-CB 3.47Å
170Q94.8Very high94.7Very high109 Ų10952 Ų5251%0.50926%0.259SS..G310 helixtrans-69-26175.4-62-171.2-10.800112.2R20 R167 A168R20-Q170 PolarHBondContact NH1-O 2.78Å; R167-Q170 HydrophobicContact CB-CG 4.2Å; R167-Q170 WeakPolarHBondContact O-CB 3.43Å; R167-Q170 PolarHBondContact O-N 2.91Å; A168-Q170 PolarHBondContact O-N 3.29Å
171H94.8Very high94.9Very high119 Ų11953.8 Ų53.855%0.55127%0.268SS*.THydrogen-bonded Turntrans-74.4-63176.3-67.6-66.6000108.8R20 A168 H169 W190R20-H171 VanDerWaalsContact NH1-C 3.33Å; R20-H171 PolarHBondContact NH1-O 3.06Å; A168-H171 WeakPolarHBondContact O-CB 3.45Å; A168-H171 PolarHBondContact O-N 3.24Å; H169-H171 PolarHBondContact O-N 2.94Å; H171-W190 HydrophobicContact CB-CZ3 4.23Å
172L97.6Very high95.1Very high7 Ų760 Ų604%0.03730%0.3CS..  trans11.3-146.4-176.8-160.4111000113.4L16 H17 P48 A168 H169 N188 L191L16-L172 HydrophobicContact CB-CD1 3.51Å; H17-L172 HydrophobicContact CB-CD1 4.46Å; H17-L172 HydrophobicContact CB-CD2 3.88Å; P48-L172 HydrophobicContact CB-CD2 3.96Å; P48-L172 HydrophobicContact CG-CD1 4.48Å; P48-L172 HydrophobicContact CG-CD2 3.86Å; P48-L172 HydrophobicContact CG-CG 4.39Å; A168-L172 PolarHBondContact O-N 2.73Å; H169-L172 WeakPolarHBondContact O-CB 3.47Å; L172-N188 WeakPolarHBondContact CA-OD1 3.15Å; L172-N188 PolarHBondContact O-OD1 2.8Å; L172-N188 VanDerWaalsContact O-OD1 3.09Å; L172-L191 HydrophobicContact CD1-CD2 4.01Å
173V98.2Very high95.3Very high9 Ų968.4 Ų68.46%0.05532%0.324CS..  trans163.1115.5165.5163.40000100.4C177 Q184 W186 N188V173-C177 HydrophobicContact CG1-CB 4.07Å; V173-Q184 HydrophobicContact CG1-CB 3.81Å; V173-Q184 HydrophobicContact CG2-CB 4.12Å; V173-W186 HydrophobicContact CG1-CB 4.33Å; V173-N188 PolarHBondContact N-OD1 2.93Å; V173-N188 PolarHBondContact O-ND2 2.62Å
174D98Very high95.5Very high0 Ų071.2 Ų71.20%034%0.337CS..  trans-98.9177.917158.820.2000110H17 Y21 P48 H51 D176 C177 H178H17-D174 IonicContact CD2-OD2 2.76Å; H17-D174 IonicContact NE2-OD2 2.67Å; H17-D174 PolarHBondContact NE2-OD2 3.2Å; Y21-D174 WeakPolarHBondContact CE2-OD2 3.4Å; Y21-D174 PolarHBondContact OH-OD2 3.05Å; P48-D174 HydrophobicContact CB-CB 3.72Å; P48-D174 WeakPolarHBondContact O-CA 3.36Å; H51-D174 IonicContact CE1-OD1 3.5Å; H51-D174 IonicContact CE1-OD2 3.25Å; H51-D174 IonicContact CG-OD2 3.54Å; H51-D174 IonicContact ND1-OD1 3.33Å; H51-D174 IonicContact ND1-OD2 2.89Å; H51-D174 PolarHBondContact ND1-OD2 3.03Å; D174-D176 VanDerWaalsContact C-N 3.32Å; D174-D176 PolarHBondContact O-N 3.25Å; D174-D176 PolarHBondContact OD1-N 2.93Å; D174-C177 PolarHBondContact O-N 2.85Å; D174-C177 WeakPolarHBondContact OD1-CB 3.32Å; D174-C177 PolarHBondContact OD1-N 3.2Å; D174-C177 PolarHBondContact OD1-SG 3.32Å; D174-H178 PolarHBondContact O-N 3.08Å; D174-H178 VanDerWaalsContact O-N 3.15Å
175F97.4Very high95.8Very high0 Ų073.1 Ų73.10%035%0.347CS..Hα-helixtrans-68.5-31-179.2-150.8-95.7000112.5P48 L49 F50 V62 A63 Q66 H178 L179 W186P48-F175 PolarHBondContact O-N 3.11Å; L49-F175 HydrophobicContact CD2-CB 3.99Å; L49-F175 HydrophobicContact CD2-CG 4.29Å; L49-F175 CarbonylContact O-C 3.52Å; L49-F175 WeakPolarHBondContact O-CA 3.34Å; L49-F175 WeakPolarHBondContact O-CB 3.21Å; L49-F175 PolarHBondContact O-N 3.27Å; F50-F175 HydrophobicContact CE1-CB 4.21Å; F50-F175 AromaticContact CE1-CD1 3.97Å; F50-F175 HydrophobicContact CE1-CD1 3.97Å; F50-F175 HydrophobicContact CZ-CD1 4.31Å; V62-F175 HydrophobicContact CG1-CE1 4.24Å; V62-F175 HydrophobicContact CG1-CZ 4.31Å; A63-F175 HydrophobicContact CB-CD1 3.63Å; A63-F175 HydrophobicContact CB-CD2 4.21Å; A63-F175 HydrophobicContact CB-CE1 3.58Å; A63-F175 HydrophobicContact CB-CE2 4.17Å; A63-F175 HydrophobicContact CB-CG 3.94Å; A63-F175 HydrophobicContact CB-CZ 3.86Å; Q66-F175 HydrophobicContact CB-CE2 4.32Å; Q66-F175 HydrophobicContact CB-CZ 4.32Å; Q66-F175 HydrophobicContact CG-CZ 4.29Å; F175-H178 PolarHBondContact O-N 2.75Å; F175-L179 HydrophobicContact CD1-CD1 3.93Å; F175-L179 HydrophobicContact CD1-CD2 4.33Å; F175-L179 HydrophobicContact CD1-CG 3.91Å; F175-L179 HydrophobicContact CE1-CD1 4.22Å; F175-L179 HydrophobicContact CE1-CD2 3.91Å; F175-L179 HydrophobicContact CE1-CG 4.01Å; F175-L179 VanDerWaalsContact O-CG 3.29Å; F175-L179 WeakPolarHBondContact O-CG 3.45Å; F175-L179 PolarHBondContact O-N 2.95Å; F175-W186 HydrophobicContact CD2-CB 4.28Å; F175-W186 AromaticContact CD2-CD1 3.96Å; F175-W186 HydrophobicContact CD2-CD2 4.23Å; F175-W186 AromaticContact CD2-CG 3.91Å; F175-W186 HydrophobicContact CD2-CG 3.91Å; F175-W186 AromaticContact CE2-CD1 3.92Å; F175-W186 HydrophobicContact CE2-CD2 4.32Å; F175-W186 HydrophobicContact CE2-CG 4.22Å; F175-W186 AromaticContact CE2-NE1 3.8Å
176D96.3Very high96Very high22 Ų2266.4 Ų66.412%0.11832%0.315CS..Hα-helixtrans-56.5-49.6169.9-88.5-27.2000111.1L49 F50 H51 S52 D174 H178 L179 D180L49-D176 PolarHBondContact O-N 3.4Å; L49-D176 VanDerWaalsContact O-N 3.07Å; F50-D176 WeakPolarHBondContact CA-OD2 3.3Å; F50-D176 WeakPolarHBondContact CB-OD2 3.45Å; F50-D176 WeakPolarHBondContact CD1-OD1 3.42Å; H51-D176 WeakPolarHBondContact CE1-CB 3.16Å; H51-D176 IonicContact CE1-OD2 2.61Å; H51-D176 IonicContact CG-OD2 3.66Å; H51-D176 PolarHBondContact N-OD2 3.32Å; H51-D176 IonicContact ND1-OD2 2.75Å; H51-D176 PolarHBondContact ND1-OD2 3.31Å; S52-D176 PolarHBondContact N-OD2 3.3Å; S52-D176 VanDerWaalsContact N-OD2 3.11Å; S52-D176 PolarHBondContact OG-OD2 3.17Å; D174-D176 VanDerWaalsContact C-N 3.32Å; D174-D176 PolarHBondContact O-N 3.25Å; D174-D176 PolarHBondContact OD1-N 2.93Å; D176-H178 VanDerWaalsContact C-N 3.27Å; D176-H178 PolarHBondContact O-N 3.31Å; D176-L179 PolarHBondContact O-N 2.94Å; D176-L179 VanDerWaalsContact O-N 3.15Å; D176-D180 PolarHBondContact O-N 3.48Å; D176-D180 VanDerWaalsContact O-N 3.1Å
177C96.6Very high96.2Very high19 Ų1960.9 Ų60.913%0.12829%0.286CS..Hα-helixtrans-60.2-36.9176.3-67.50000112.5R20 Y21 V173 D174 D180 D181R20-C177 PolarHBondContact NH2-SG 2.95Å; Y21-C177 PolarHBondContact OH-SG 3.09Å; Y21-C177 VanDerWaalsContact OH-SG 3.37Å; V173-C177 HydrophobicContact CG1-CB 4.07Å; D174-C177 PolarHBondContact O-N 2.85Å; D174-C177 WeakPolarHBondContact OD1-CB 3.32Å; D174-C177 PolarHBondContact OD1-N 3.2Å; D174-C177 PolarHBondContact OD1-SG 3.32Å; C177-D180 PolarHBondContact O-N 2.9Å; C177-D181 PolarHBondContact O-N 3.26Å
178H96.9Very high96.4Very high24 Ų2453.9 Ų53.911%0.11126%0.26CS..Hα-helixtrans-69.9-35.7176.7178.377.8000112.9D174 F175 D176 D180 D181 I182 Q184 W186D174-H178 PolarHBondContact O-N 3.08Å; D174-H178 VanDerWaalsContact O-N 3.15Å; F175-H178 PolarHBondContact O-N 2.75Å; D176-H178 VanDerWaalsContact C-N 3.27Å; D176-H178 PolarHBondContact O-N 3.31Å; H178-D180 VanDerWaalsContact C-N 3.3Å; H178-D181 CarbonylContact O-C 3.57Å; H178-D181 PolarHBondContact O-N 3.41Å; H178-I182 PolarHBondContact CE1-O 3.33Å; H178-I182 PolarHBondContact ND1-O 2.9Å; H178-I182 VanDerWaalsContact O-CA 3.3Å; H178-I182 WeakPolarHBondContact O-CA 3.31Å; H178-I182 PolarHBondContact O-N 3.44Å; H178-I182 VanDerWaalsContact O-N 3.08Å; H178-Q184 PolarHBondContact ND1-O 3.43Å; H178-W186 HydrophobicContact CB-CB 4.31Å; H178-W186 AromaticContact CD2-CD1 3.62Å; H178-W186 AromaticContact CE1-CD1 3.84Å; H178-W186 AromaticContact CG-CD1 3.47Å; H178-W186 VanDerWaalsContact CG-CD1 3.47Å; H178-W186 AromaticContact ND1-CD1 3.62Å; H178-W186 AromaticContact NE2-CD1 3.86Å; H178-W186 AromaticContact NE2-NE1 3.93Å
179L94.1Very high96.4Very high65 Ų6557.6 Ų57.634%0.3428%0.276SS..Hα-helixtrans-66.8-35.2175.2-70.8173.6000111.5F50 M59 F175 D176F50-L179 HydrophobicContact CE1-CD1 4.29Å; M59-L179 HydrophobicContact CB-CD1 4.1Å; M59-L179 HydrophobicContact CG-CD1 4.04Å; M59-L179 HydrophobicContact SD-CD1 3.75Å; M59-L179 HydrophobicContact SD-CD2 4.32Å; F175-L179 HydrophobicContact CD1-CD1 3.93Å; F175-L179 HydrophobicContact CD1-CD2 4.33Å; F175-L179 HydrophobicContact CD1-CG 3.91Å; F175-L179 HydrophobicContact CE1-CD1 4.22Å; F175-L179 HydrophobicContact CE1-CD2 3.91Å; F175-L179 HydrophobicContact CE1-CG 4.01Å; F175-L179 VanDerWaalsContact O-CG 3.29Å; F175-L179 WeakPolarHBondContact O-CG 3.45Å; F175-L179 PolarHBondContact O-N 2.95Å; D176-L179 PolarHBondContact O-N 2.94Å; D176-L179 VanDerWaalsContact O-N 3.15Å
180D94.8Very high96.4Very high148 Ų14863.6 Ų63.679%0.79130%0.298SS*.Hα-helixtrans-69.5-39.8173.4-74.4-21.3000112.4D176 C177 H178D176-D180 PolarHBondContact O-N 3.48Å; D176-D180 VanDerWaalsContact O-N 3.1Å; C177-D180 PolarHBondContact O-N 2.9Å; H178-D180 VanDerWaalsContact C-N 3.3Å
181D96.9Very high96.3Very high40 Ų4058.6 Ų58.621%0.21427%0.274CS..  trans-143.3103.9176.2-177-1.7000111.4C177 H178 R183 Q184C177-D181 PolarHBondContact O-N 3.26Å; H178-D181 CarbonylContact O-C 3.57Å; H178-D181 PolarHBondContact O-N 3.41Å; D181-R183 PolarHBondContact O-N 3.06Å; D181-R183 VanDerWaalsContact OD1-CB 3.31Å; D181-R183 WeakPolarHBondContact OD1-CB 3.39Å; D181-R183 WeakPolarHBondContact OD1-CG 3.42Å; D181-R183 IonicContact OD1-CZ 2.66Å; D181-R183 PolarHBondContact OD1-N 3.04Å; D181-R183 VanDerWaalsContact OD1-N 3.09Å; D181-R183 IonicContact OD1-NE 2.8Å; D181-R183 PolarHBondContact OD1-NE 3.3Å; D181-R183 IonicContact OD1-NH2 3.58Å; D181-R183 IonicContact OD2-CZ 3.54Å; D181-R183 IonicContact OD2-NE 3.24Å; D181-R183 PolarHBondContact OD2-NE 2.88Å; D181-R183 IonicContact OD2-NH2 3.36Å; D181-R183 PolarHBondContact OD2-NH2 3.35Å; D181-Q184 HydrophobicContact CB-CG 3.89Å; D181-Q184 VanDerWaalsContact O-CB 3.24Å; D181-Q184 WeakPolarHBondContact O-CB 3.41Å; D181-Q184 WeakPolarHBondContact O-CG 3.23Å; D181-Q184 PolarHBondContact O-N 2.98Å
182I96.1Very high96.2Very high134 Ų13453.5 Ų53.569%0.68725%0.251SS*.THydrogen-bonded Turntrans-60.9-9.6-177.261.9168.6000114.6H178 Q184H178-I182 PolarHBondContact CE1-O 3.33Å; H178-I182 PolarHBondContact ND1-O 2.9Å; H178-I182 VanDerWaalsContact O-CA 3.3Å; H178-I182 WeakPolarHBondContact O-CA 3.31Å; H178-I182 PolarHBondContact O-N 3.44Å; H178-I182 VanDerWaalsContact O-N 3.08Å; I182-Q184 VanDerWaalsContact C-N 3.31Å
183R97.1Very high96Very high208 Ų20856.5 Ų56.579%0.78527%0.27SS*.THydrogen-bonded Turntrans-79-16.9173.6-58.9171.4-65.7179.24112.5D181D181-R183 PolarHBondContact O-N 3.06Å; D181-R183 VanDerWaalsContact OD1-CB 3.31Å; D181-R183 WeakPolarHBondContact OD1-CB 3.39Å; D181-R183 WeakPolarHBondContact OD1-CG 3.42Å; D181-R183 IonicContact OD1-CZ 2.66Å; D181-R183 PolarHBondContact OD1-N 3.04Å; D181-R183 VanDerWaalsContact OD1-N 3.09Å; D181-R183 IonicContact OD1-NE 2.8Å; D181-R183 PolarHBondContact OD1-NE 3.3Å; D181-R183 IonicContact OD1-NH2 3.58Å; D181-R183 IonicContact OD2-CZ 3.54Å; D181-R183 IonicContact OD2-NE 3.24Å; D181-R183 PolarHBondContact OD2-NE 2.88Å; D181-R183 IonicContact OD2-NH2 3.36Å; D181-R183 PolarHBondContact OD2-NH2 3.35Å
184Q97.8Very high95.5Very high84 Ų8460 Ų6039%0.39329%0.286SS..SBendtrans-74.2125.4177.7-62.9-69.4-9.600109.8V173 H178 D181 I182 W186V173-Q184 HydrophobicContact CG1-CB 3.81Å; V173-Q184 HydrophobicContact CG2-CB 4.12Å; H178-Q184 PolarHBondContact ND1-O 3.43Å; D181-Q184 HydrophobicContact CB-CG 3.89Å; D181-Q184 VanDerWaalsContact O-CB 3.24Å; D181-Q184 WeakPolarHBondContact O-CB 3.41Å; D181-Q184 WeakPolarHBondContact O-CG 3.23Å; D181-Q184 PolarHBondContact O-N 2.98Å; I182-Q184 VanDerWaalsContact C-N 3.31Å; Q184-W186 PolarHBondContact O-N 2.87Å
185D97.5Very high95.1Very high69 Ų6960 Ų6037%0.36929%0.286SS..  trans-8799.2-175.9173.726.9000111.9T187 N188 Q189D185-T187 PolarHBondContact O-N 2.95Å; D185-T187 VanDerWaalsContact OD1-CB 3.29Å; D185-T187 WeakPolarHBondContact OD1-CB 3.48Å; D185-T187 WeakPolarHBondContact OD1-CG2 3.35Å; D185-T187 PolarHBondContact OD1-N 3.2Å; D185-T187 PolarHBondContact OD1-OG1 3.29Å; D185-T187 PolarHBondContact OD2-OG1 3.09Å; D185-T187 VanDerWaalsContact OD2-OG1 3.08Å; D185-N188 PolarHBondContact O-N 2.89Å; D185-N188 VanDerWaalsContact O-N 3.12Å; D185-N188 PolarHBondContact OD2-N 2.78Å; D185-Q189 PolarHBondContact OD2-N 3.26Å
186W97.5Very high94.6Very high18 Ų1864 Ų647%0.06831%0.31CS..THydrogen-bonded Turntrans-65.8-15.3176.358.3-101.3000113.9V47 Q66 V67 W70 V173 F175 H178 Q184 N188V47-W186 HydrophobicContact CG1-CE3 3.56Å; V47-W186 HydrophobicContact CG1-CZ3 3.95Å; V47-W186 HydrophobicContact CG2-CE3 4.18Å; V47-W186 HydrophobicContact CG2-CZ3 3.9Å; Q66-W186 HydrophobicContact CB-CZ2 4.33Å; V67-W186 HydrophobicContact CG2-CE3 4.43Å; V67-W186 HydrophobicContact CG2-CH2 3.94Å; V67-W186 HydrophobicContact CG2-CZ3 3.81Å; W70-W186 HydrophobicContact CB-CH2 3.78Å; W70-W186 HydrophobicContact CB-CZ2 4.35Å; W70-W186 AromaticContact CD2-CH2 3.99Å; W70-W186 HydrophobicContact CD2-CH2 3.99Å; W70-W186 HydrophobicContact CD2-CZ3 4.33Å; W70-W186 HydrophobicContact CE3-CH2 4.2Å; W70-W186 HydrophobicContact CE3-CZ3 4.24Å; W70-W186 AromaticContact CG-CH2 3.81Å; W70-W186 HydrophobicContact CG-CH2 3.81Å; W70-W186 HydrophobicContact CG-CZ2 4.49Å; V173-W186 HydrophobicContact CG1-CB 4.33Å; F175-W186 HydrophobicContact CD2-CB 4.28Å; F175-W186 AromaticContact CD2-CD1 3.96Å; F175-W186 HydrophobicContact CD2-CD2 4.23Å; F175-W186 AromaticContact CD2-CG 3.91Å; F175-W186 HydrophobicContact CD2-CG 3.91Å; F175-W186 AromaticContact CE2-CD1 3.92Å; F175-W186 HydrophobicContact CE2-CD2 4.32Å; F175-W186 HydrophobicContact CE2-CG 4.22Å; F175-W186 AromaticContact CE2-NE1 3.8Å; H178-W186 HydrophobicContact CB-CB 4.31Å; H178-W186 AromaticContact CD2-CD1 3.62Å; H178-W186 AromaticContact CE1-CD1 3.84Å; H178-W186 AromaticContact CG-CD1 3.47Å; H178-W186 VanDerWaalsContact CG-CD1 3.47Å; H178-W186 AromaticContact ND1-CD1 3.62Å; H178-W186 AromaticContact NE2-CD1 3.86Å; H178-W186 AromaticContact NE2-NE1 3.93Å; Q184-W186 PolarHBondContact O-N 2.87Å; W186-N188 PolarHBondContact O-N 2.83Å; W186-N188 PolarHBondContact O-ND2 3.27Å
187T96.6Very high94.1Very high9 Ų969.1 Ų69.16%0.05533%0.334CS..THydrogen-bonded Turntrans-76.4-15.8175.678.10000112.2W70 D185 Q189 N192W70-T187 HydrophobicContact CD2-CG2 4.17Å; W70-T187 HydrophobicContact CZ2-CG2 3.93Å; D185-T187 PolarHBondContact O-N 2.95Å; D185-T187 VanDerWaalsContact OD1-CB 3.29Å; D185-T187 WeakPolarHBondContact OD1-CB 3.48Å; D185-T187 WeakPolarHBondContact OD1-CG2 3.35Å; D185-T187 PolarHBondContact OD1-N 3.2Å; D185-T187 PolarHBondContact OD1-OG1 3.29Å; D185-T187 PolarHBondContact OD2-OG1 3.09Å; D185-T187 VanDerWaalsContact OD2-OG1 3.08Å; T187-Q189 PolarHBondContact O-N 3.39Å; T187-Q189 WeakPolarHBondContact OG1-CG 3.33Å; T187-Q189 PolarHBondContact OG1-NE2 3.41Å; T187-N192 PolarHBondContact O-ND2 2.97Å
188N97.4Very high93.3Very high9 Ų972.4 Ų72.45%0.04834%0.343CS..  trans57.939.7174.9-73.5-91.5000113.6K13 L172 V173 D185 W186 W190 L191 N192K13-N188 HydrophobicContact CD-CB 4.1Å; L172-N188 WeakPolarHBondContact CA-OD1 3.15Å; L172-N188 PolarHBondContact O-OD1 2.8Å; L172-N188 VanDerWaalsContact O-OD1 3.09Å; V173-N188 PolarHBondContact N-OD1 2.93Å; V173-N188 PolarHBondContact O-ND2 2.62Å; D185-N188 PolarHBondContact O-N 2.89Å; D185-N188 VanDerWaalsContact O-N 3.12Å; D185-N188 PolarHBondContact OD2-N 2.78Å; W186-N188 PolarHBondContact O-N 2.83Å; W186-N188 PolarHBondContact O-ND2 3.27Å; N188-W190 VanDerWaalsContact C-N 3.27Å; N188-W190 PolarHBondContact O-N 3.19Å; N188-W190 VanDerWaalsContact O-N 3.16Å; N188-L191 HydrophobicContact CB-CB 4.23Å; N188-L191 PolarHBondContact O-N 2.98Å; N188-N192 PolarHBondContact O-N 3.15Å; N188-N192 PolarHBondContact O-OD1 3.42Å
189Q94.5Very high92Very high86 Ų8674 Ų7440%0.40235%0.354SS..Hα-helixtrans-56.3-37.7-173.3-66.1-52.2-40.300114.3D185 T187 N192 T193D185-Q189 PolarHBondContact OD2-N 3.26Å; T187-Q189 PolarHBondContact O-N 3.39Å; T187-Q189 WeakPolarHBondContact OG1-CG 3.33Å; T187-Q189 PolarHBondContact OG1-NE2 3.41Å; Q189-N192 PolarHBondContact O-N 3.14Å; Q189-T193 PolarHBondContact O-N 2.98Å; Q189-T193 PolarHBondContact O-OG1 3.26Å
190W92.8Very high90.3Very high157 Ų15772.1 Ų72.160%0.59535%0.351SS*.Hα-helixtrans-62.3-46.7176.9175.683.1000111.6H171 N188 T193 Q194H171-W190 HydrophobicContact CB-CZ3 4.23Å; N188-W190 VanDerWaalsContact C-N 3.27Å; N188-W190 PolarHBondContact O-N 3.19Å; N188-W190 VanDerWaalsContact O-N 3.16Å; W190-T193 WeakPolarHBondContact O-CB 3.34Å; W190-T193 PolarHBondContact O-N 2.92Å; W190-Q194 HydrophobicContact CH2-CG 4.3Å; W190-Q194 HydrophobicContact CZ2-CG 4.08Å; W190-Q194 PolarHBondContact O-N 2.85Å
191L92.8Very high88.1Confident3 Ų371.2 Ų71.22%0.01635%0.353CS..Hα-helixtrans-66.8-39.6177.9-17863.6000111.1K13 L16 A168 L172 N188 T193 Q194 I195K13-L191 HydrophobicContact CD-CD2 4.49Å; K13-L191 HydrophobicContact CG-CD2 4.12Å; L16-L191 HydrophobicContact CD1-CD1 4.03Å; L16-L191 HydrophobicContact CD1-CD2 3.86Å; L16-L191 HydrophobicContact CD1-CG 4.45Å; A168-L191 HydrophobicContact CB-CD1 4.47Å; L172-L191 HydrophobicContact CD1-CD2 4.01Å; N188-L191 HydrophobicContact CB-CB 4.23Å; N188-L191 PolarHBondContact O-N 2.98Å; L191-T193 VanDerWaalsContact C-N 3.25Å; L191-T193 PolarHBondContact O-N 3.2Å; L191-Q194 PolarHBondContact O-N 3.21Å; L191-I195 HydrophobicContact CD1-CD1 4.21Å; L191-I195 HydrophobicContact CD1-CG1 4.45Å; L191-I195 HydrophobicContact CD2-CD1 4.47Å; L191-I195 HydrophobicContact CG-CD1 3.83Å; L191-I195 HydrophobicContact CG-CG1 4.48Å; L191-I195 WeakPolarHBondContact O-CG1 3.22Å; L191-I195 PolarHBondContact O-N 2.94Å
192N94.1Very high85.7Confident12 Ų1274.6 Ų74.66%0.06438%0.376CS..Hα-helixtrans-56.4-43.6174.5-59.4-13.3000110.6L9 K13 T187 N188 Q189 Q194 I195 T196L9-N192 HydrophobicContact CD1-CB 4.12Å; L9-N192 HydrophobicContact CD2-CB 4.39Å; K13-N192 WeakPolarHBondContact CD-OD1 3.42Å; K13-N192 VanDerWaalsContact CE-OD1 3.26Å; K13-N192 WeakPolarHBondContact CE-OD1 3.15Å; K13-N192 PolarHBondContact NZ-OD1 2.91Å; T187-N192 PolarHBondContact O-ND2 2.97Å; N188-N192 PolarHBondContact O-N 3.15Å; N188-N192 PolarHBondContact O-OD1 3.42Å; Q189-N192 PolarHBondContact O-N 3.14Å; N192-Q194 PolarHBondContact O-N 3.3Å; N192-I195 PolarHBondContact O-N 3.06Å; N192-T196 WeakPolarHBondContact O-CB 3.39Å; N192-T196 PolarHBondContact O-N 3.42Å; N192-T196 PolarHBondContact O-OG1 3.33Å
193T91.8Very high83Confident71 Ų7175.4 Ų75.444%0.43638%0.381SS..Hα-helixtrans-62.6-43.6178.2-55.60000111.9Q189 W190 L191 T196 Q197Q189-T193 PolarHBondContact O-N 2.98Å; Q189-T193 PolarHBondContact O-OG1 3.26Å; W190-T193 WeakPolarHBondContact O-CB 3.34Å; W190-T193 PolarHBondContact O-N 2.92Å; L191-T193 VanDerWaalsContact C-N 3.25Å; L191-T193 PolarHBondContact O-N 3.2Å; T193-T196 PolarHBondContact O-N 2.82Å; T193-Q197 WeakPolarHBondContact O-CB 3.48Å; T193-Q197 VanDerWaalsContact O-CG 3.27Å; T193-Q197 WeakPolarHBondContact O-CG 2.95Å; T193-Q197 PolarHBondContact O-N 3.48Å
194Q88.6Confident80.1Confident81 Ų8169.2 Ų69.238%0.37938%0.383SS..Hα-helixtrans-61.8-45.3176.9-68.5-60.9-72.800111.8W190 L191 N192 Q197 W198W190-Q194 HydrophobicContact CH2-CG 4.3Å; W190-Q194 HydrophobicContact CZ2-CG 4.08Å; W190-Q194 PolarHBondContact O-N 2.85Å; L191-Q194 PolarHBondContact O-N 3.21Å; N192-Q194 PolarHBondContact O-N 3.3Å; Q194-Q197 PolarHBondContact O-N 3.25Å; Q194-W198 PolarHBondContact O-N 3.15Å
195I89.1Confident77.2Confident1 Ų172.3 Ų72.31%0.00540%0.402CS..Hα-helixtrans-63.1-48.9178.2-69.7168.3000110.6L9 V12 K13 M159 L163 L191 N192 Q197 W198 V199L9-I195 HydrophobicContact CB-CG2 4.1Å; L9-I195 HydrophobicContact CD1-CB 3.92Å; L9-I195 HydrophobicContact CD1-CD1 3.61Å; L9-I195 HydrophobicContact CD1-CG1 4.37Å; L9-I195 HydrophobicContact CD1-CG2 3.7Å; V12-I195 HydrophobicContact CB-CD1 4.02Å; V12-I195 HydrophobicContact CG1-CD1 3.5Å; V12-I195 HydrophobicContact CG1-CG1 3.96Å; K13-I195 HydrophobicContact CG-CD1 4.17Å; M159-I195 HydrophobicContact CE-CG2 4.15Å; M159-I195 HydrophobicContact SD-CB 4.08Å; M159-I195 HydrophobicContact SD-CG1 4Å; M159-I195 HydrophobicContact SD-CG2 3.66Å; L163-I195 HydrophobicContact CD1-CG1 3.98Å; L191-I195 HydrophobicContact CD1-CD1 4.21Å; L191-I195 HydrophobicContact CD1-CG1 4.45Å; L191-I195 HydrophobicContact CD2-CD1 4.47Å; L191-I195 HydrophobicContact CG-CD1 3.83Å; L191-I195 HydrophobicContact CG-CG1 4.48Å; L191-I195 WeakPolarHBondContact O-CG1 3.22Å; L191-I195 PolarHBondContact O-N 2.94Å; N192-I195 PolarHBondContact O-N 3.06Å; I195-Q197 VanDerWaalsContact C-N 3.32Å; I195-Q197 PolarHBondContact O-N 3.31Å; I195-W198 WeakPolarHBondContact O-CB 3.31Å; I195-W198 PolarHBondContact O-N 3.42Å; I195-W198 VanDerWaalsContact O-N 3.09Å; I195-V199 WeakPolarHBondContact O-CG2 3.43Å; I195-V199 PolarHBondContact O-N 3.14Å; I195-V199 VanDerWaalsContact O-N 3.15Å
196T88.1Confident74.4Confident84 Ų8472.3 Ų72.352%0.51542%0.418SS..Hα-helixtrans-65.3-33.4-178.7-56.90000112.7N192 T193 W198 V199 G200N192-T196 WeakPolarHBondContact O-CB 3.39Å; N192-T196 PolarHBondContact O-N 3.42Å; N192-T196 PolarHBondContact O-OG1 3.33Å; T193-T196 PolarHBondContact O-N 2.82Å; T196-W198 PolarHBondContact O-N 2.67Å; T196-V199 PolarHBondContact O-N 2.69Å; T196-G200 PolarHBondContact O-N 2.76Å
197Q85.5Confident71.5Confident129 Ų12978.9 Ų78.960%0.60346%0.455SS*.Hα-helixtrans-63.8-31.2173.9-77.9175.1-3.300112.6T193 Q194 I195T193-Q197 WeakPolarHBondContact O-CB 3.48Å; T193-Q197 VanDerWaalsContact O-CG 3.27Å; T193-Q197 WeakPolarHBondContact O-CG 2.95Å; T193-Q197 PolarHBondContact O-N 3.48Å; Q194-Q197 PolarHBondContact O-N 3.25Å; I195-Q197 VanDerWaalsContact C-N 3.32Å; I195-Q197 PolarHBondContact O-N 3.31Å
198W79.6Confident68.5Low89 Ų8986.6 Ų86.634%0.33752%0.519SS..Hα-helixtrans-74.2-38.8176.8-14886.4000111.9E155 Q158 M159 Q194 I195 T196 G200E155-W198 HydrophobicContact CB-CZ3 4.37Å; E155-W198 HydrophobicContact CG-CE3 3.76Å; E155-W198 HydrophobicContact CG-CH2 4.48Å; E155-W198 HydrophobicContact CG-CZ3 3.36Å; E155-W198 WeakPolarHBondContact O-CZ3 3.31Å; Q158-W198 HydrophobicContact CB-CH2 3.59Å; Q158-W198 HydrophobicContact CB-CZ2 4.48Å; Q158-W198 HydrophobicContact CB-CZ3 4.35Å; M159-W198 HydrophobicContact CB-CD2 4.09Å; M159-W198 HydrophobicContact CB-CE3 3.64Å; M159-W198 HydrophobicContact CB-CH2 4.06Å; M159-W198 HydrophobicContact CB-CZ2 4.49Å; M159-W198 HydrophobicContact CB-CZ3 3.58Å; M159-W198 HydrophobicContact CE-CB 3.96Å; M159-W198 HydrophobicContact CE-CD2 4.08Å; M159-W198 HydrophobicContact CE-CE3 3.48Å; M159-W198 VanDerWaalsContact CE-CE3 3.48Å; M159-W198 HydrophobicContact CE-CG 4.32Å; M159-W198 HydrophobicContact CE-CZ3 4.28Å; M159-W198 HydrophobicContact CG-CB 4.48Å; M159-W198 HydrophobicContact CG-CD2 3.84Å; M159-W198 HydrophobicContact CG-CE3 3.81Å; M159-W198 HydrophobicContact CG-CG 4.17Å; M159-W198 HydrophobicContact CG-CZ3 4.26Å; M159-W198 HydrophobicContact SD-CB 4.37Å; M159-W198 HydrophobicContact SD-CE3 4.45Å; Q194-W198 PolarHBondContact O-N 3.15Å; I195-W198 WeakPolarHBondContact O-CB 3.31Å; I195-W198 PolarHBondContact O-N 3.42Å; I195-W198 VanDerWaalsContact O-N 3.09Å; T196-W198 PolarHBondContact O-N 2.67Å; W198-G200 VanDerWaalsContact C-N 3.31Å
199V69.1Low67Low56 Ų5690.5 Ų90.534%0.33954%0.543SS..Hα-helixtrans-74.8-18.5175.3-173.20000113.1A8 E155 M159 I195 T196A8-V199 HydrophobicContact CB-CG2 3.97Å; E155-V199 WeakPolarHBondContact OE1-CA 3.32Å; M159-V199 HydrophobicContact CE-CG2 3.44Å; M159-V199 VanDerWaalsContact CE-CG2 3.44Å; I195-V199 WeakPolarHBondContact O-CG2 3.43Å; I195-V199 PolarHBondContact O-N 3.14Å; I195-V199 VanDerWaalsContact O-N 3.15Å; T196-V199 PolarHBondContact O-N 2.69Å
200G59.8Low65.6Low26 Ų2690.7 Ų90.727%0.26855%0.55SS.*SBendtrans-61.8159.3172.300000110.9T196 W198 T202T196-G200 PolarHBondContact O-N 2.76Å; W198-G200 VanDerWaalsContact C-N 3.31Å; G200-T202 PolarHBondContact O-N 3.23Å
201P47.6Very low64.1Low129 Ų12987.1 Ų87.184%0.83855%0.548SS*.  trans-57.3102.3-179.423.5-31.6000109.2N203P201-N203 PolarHBondContact O-N 3.1Å
202T45.9Very low62.4Low112 Ų11292 Ų9269%0.68758%0.579SS**  trans-57114.1168.749.60000105.8G200 G204G200-T202 PolarHBondContact O-N 3.23Å; T202-G204 PolarHBondContact O-N 3.11Å
203N39.1Very low60.4Low150 Ų15097 Ų9780%0.80261%0.611SS**  trans-35.5117.3177.9-77.5-38.7000110.5P201 N205P201-N203 PolarHBondContact O-N 3.1Å; N203-N205 PolarHBondContact O-N 3.22Å
204G37.7Very low58.3Low79 Ų7998.7 Ų98.781%0.81462%0.623SS**  trans-58.993.916200000108.1T202 G206T202-G204 PolarHBondContact O-N 3.11Å; G204-G206 PolarHBondContact O-N 3.46Å
205N36.6Very low56.2Low148 Ų148100 Ų10079%0.79164%0.641SS**  trans-71.687.4160.2-99.46.1000106.8N203 N207N203-N205 PolarHBondContact O-N 3.22Å; N205-N207 PolarHBondContact O-N 3.04Å
206G37.3Very low53.6Low70 Ų70107.6 Ų107.672%0.72269%0.69SS**  trans-61113.6153.600000108.3G204G204-G206 PolarHBondContact O-N 3.46Å
207N37.1Very low50.8Low156 Ų156109.6 Ų109.683%0.83470%0.704SS**  trans-92.8102.4153.2-86.4-0.6000107.2N205N205-N207 PolarHBondContact O-N 3.04Å
208A33.7Very low47.6Very low171 Ų171107.8 Ų107.8100%1.41371%0.713SS**  trans-66.3014700000110.1

Retrieved 208 of 208 residues in 110.1 ms (Link to these results)

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