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Protein maelstrom homolog

Plays a central role during spermatogenesis by repressing transposable elements and preventing their mobilization, which is essential for the germline integrity. Acts via the piRNA metabolic process, which mediates the repression of transposable elements during meiosis by forming complexes composed of piRNAs and Piwi proteins and governs the methylation and subsequent repression of transposons. Its association with piP-bodies suggests a participation in the secondary piRNAs metabolic process. Required for the localization of germ-cell factors to the meiotic nuage.

AlphaFold DB , UniProt , Accession X6RGB1, Species HUMAN (Homo sapiens, Human), Gene MAEL, Length 316 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
1M41Very low49.2Very low242 Ų242109.6 Ų109.6100%1.19257%0.568SS**  0128.10-71.4-171.4174.900109.2
2P35.1Very low51.5Low111 Ų111102.8 Ų102.872%0.72153%0.529SS*.  trans-119.3134.314432.9-21.8000109.8R4P2-R4 PolarHBondContact O-N 3.07Å
3N34.2Very low53.2Low166 Ų166102.3 Ų102.389%0.88852%0.521SS*.  trans-59.894.5179.2-143.5-11.6000109.5K5N3-K5 PolarHBondContact O-N 3.33Å; N3-K5 VanDerWaalsContact O-N 3.16Å
4R39.2Very low55Low214 Ų21498.1 Ų98.181%0.80850%0.498SS*.  trans-77.6102.5-179.9-79.3-175.6175.8178.3-1.7109.2P2P2-R4 PolarHBondContact O-N 3.07Å
5K38.4Very low56.5Low171 Ų17191.6 Ų91.674%0.74347%0.465SS*.  trans-53.1142.8176.8-72.8176.5177.8173.80110.6N3 S7N3-K5 PolarHBondContact O-N 3.33Å; N3-K5 VanDerWaalsContact O-N 3.16Å; K5-S7 PolarHBondContact O-N 3.23Å
6A42.9Very low57.9Low47 Ų4790.9 Ų90.939%0.38846%0.459SS..  trans-43.8137.616800000110.5R8A6-R8 WeakPolarHBondContact O-CG 3.43Å; A6-R8 PolarHBondContact O-N 2.65Å
7S47.8Very low59.4Low53 Ų5394.4 Ų94.437%0.37147%0.474SS..  trans-63.197.1178.457.10000108.9K5 F262K5-S7 PolarHBondContact O-N 3.23Å; S7-F262 WeakPolarHBondContact OG-CE2 3.19Å
8R63.3Low60.8Low93 Ų9392 Ų9235%0.35146%0.46SS..  trans-91.4123.3178.1-72.5159.7175.5-161.72.6107.6A6 Y12 F13A6-R8 WeakPolarHBondContact O-CG 3.43Å; A6-R8 PolarHBondContact O-N 2.65Å; R8-Y12 HydrophobicContact CB-CD1 3.53Å; R8-Y12 HydrophobicContact CB-CD2 4.38Å; R8-Y12 HydrophobicContact CB-CE1 4.13Å; R8-Y12 HydrophobicContact CB-CG 3.71Å; R8-Y12 HydrophobicContact CG-CD1 3.48Å; R8-Y12 VanDerWaalsContact CG-CD1 3.48Å; R8-Y12 HydrophobicContact CG-CD2 3.93Å; R8-Y12 HydrophobicContact CG-CE1 3.59Å; R8-Y12 HydrophobicContact CG-CE2 3.99Å; R8-Y12 HydrophobicContact CG-CG 3.69Å; R8-Y12 PolarHBondContact NE-OH 3.49Å; R8-Y12 PolarHBondContact NH1-OH 3.29Å; R8-Y12 PolarHBondContact NH2-OH 3.2Å; R8-F13 HydrophobicContact CB-CD2 4.35Å; R8-F13 HydrophobicContact CB-CE1 4.43Å; R8-F13 HydrophobicContact CB-CE2 3.6Å; R8-F13 HydrophobicContact CB-CZ 3.65Å; R8-F13 WeakPolarHBondContact O-CE2 3.28Å
9N62Low61.9Low37 Ų3788 Ų8820%0.19844%0.44CS..  trans-77.5170.5177.361.916000111.2Y11 Y12 F13 D245 Y246N9-Y11 PolarHBondContact O-N 3.25Å; N9-Y12 WeakPolarHBondContact O-CB 3.35Å; N9-Y12 PolarHBondContact O-N 3.33Å; N9-Y12 VanDerWaalsContact O-N 3.09Å; N9-Y12 WeakPolarHBondContact OD1-CB 3.31Å; N9-Y12 PolarHBondContact OD1-N 3.01Å; N9-F13 WeakPolarHBondContact O-CD2 3.32Å; N9-D245 PolarHBondContact ND2-OD2 3.35Å; N9-Y246 PolarHBondContact OD1-OH 3.41Å
10A67.2Low63Low70 Ų7087.3 Ų87.358%0.57944%0.442SS*.Hα-helixtrans-58.5-34.7-179.200000112.8Y12 F13 F14 W43A10-Y12 VanDerWaalsContact C-N 3.35Å; A10-Y12 PolarHBondContact O-N 3.44Å; A10-F13 PolarHBondContact O-N 2.81Å; A10-F14 PolarHBondContact O-N 3.32Å; A10-F14 VanDerWaalsContact O-N 3.13Å; A10-W43 HydrophobicContact CB-CH2 3.95Å; A10-W43 HydrophobicContact CB-CZ2 4.42Å
11Y70.6Confident64.1Low2 Ų286.3 Ų86.31%0.00844%0.435CS..Hα-helixtrans-62.4-40.9176.4-176.4-131.1000112.1N9 F13 F14 V15 I36 S40 W43 Y246N9-Y11 PolarHBondContact O-N 3.25Å; Y11-F13 VanDerWaalsContact C-N 3.31Å; Y11-F13 PolarHBondContact O-N 3.16Å; Y11-F14 HydrophobicContact CD2-CD1 4.19Å; Y11-F14 HydrophobicContact CE2-CD1 4.2Å; Y11-F14 PolarHBondContact O-N 3.25Å; Y11-V15 HydrophobicContact CD1-CG2 4.4Å; Y11-V15 HydrophobicContact CD2-CG2 3.89Å; Y11-V15 HydrophobicContact CE1-CG2 4.08Å; Y11-V15 HydrophobicContact CE2-CG2 3.55Å; Y11-V15 HydrophobicContact CG-CG2 4.32Å; Y11-V15 VanDerWaalsContact O-CG2 3.27Å; Y11-V15 WeakPolarHBondContact O-CG2 3.24Å; Y11-V15 PolarHBondContact O-N 3.16Å; Y11-I36 HydrophobicContact CE1-CG1 4.11Å; Y11-I36 HydrophobicContact CE1-CG2 4.26Å; Y11-I36 PolarHBondContact OH-O 3.36Å; Y11-S40 WeakPolarHBondContact OH-CA 3.48Å; Y11-S40 PolarHBondContact OH-N 3.49Å; Y11-W43 HydrophobicContact CD2-CB 3.92Å; Y11-W43 AromaticContact CD2-CD1 3.49Å; Y11-W43 VanDerWaalsContact CD2-CD1 3.49Å; Y11-W43 AromaticContact CD2-CD2 3.37Å; Y11-W43 HydrophobicContact CD2-CD2 3.37Å; Y11-W43 AromaticContact CD2-CE2 3.54Å; Y11-W43 HydrophobicContact CD2-CE3 4Å; Y11-W43 AromaticContact CD2-CG 3.32Å; Y11-W43 HydrophobicContact CD2-CG 3.32Å; Y11-W43 HydrophobicContact CD2-CZ2 4.25Å; Y11-W43 AromaticContact CD2-NE1 3.61Å; Y11-W43 HydrophobicContact CE2-CB 3.54Å; Y11-W43 AromaticContact CE2-CD1 3.7Å; Y11-W43 AromaticContact CE2-CD2 3.99Å; Y11-W43 HydrophobicContact CE2-CD2 3.99Å; Y11-W43 AromaticContact CE2-CG 3.46Å; Y11-W43 HydrophobicContact CE2-CG 3.46Å; Y11-W43 VanDerWaalsContact CE2-CG 3.46Å; Y11-W43 HydrophobicContact CG-CD2 4.33Å; Y11-W43 HydrophobicContact CG-CG 4.42Å; Y11-W43 HydrophobicContact CG-CZ2 4.5Å; Y11-Y246 AromaticContact CD1-CD2 3.87Å; Y11-Y246 HydrophobicContact CD1-CD2 3.87Å; Y11-Y246 AromaticContact CD1-CE2 3.87Å; Y11-Y246 HydrophobicContact CD1-CE2 3.87Å; Y11-Y246 HydrophobicContact CE1-CD2 4.14Å
12Y75.9Confident66.2Low27 Ų2775 Ų7511%0.10638%0.38CS..Hα-helixtrans-52.8-48.8174.6-178-87.2000112.2R8 N9 A10 V15 Q16 V32 Y246R8-Y12 HydrophobicContact CB-CD1 3.53Å; R8-Y12 HydrophobicContact CB-CD2 4.38Å; R8-Y12 HydrophobicContact CB-CE1 4.13Å; R8-Y12 HydrophobicContact CB-CG 3.71Å; R8-Y12 HydrophobicContact CG-CD1 3.48Å; R8-Y12 VanDerWaalsContact CG-CD1 3.48Å; R8-Y12 HydrophobicContact CG-CD2 3.93Å; R8-Y12 HydrophobicContact CG-CE1 3.59Å; R8-Y12 HydrophobicContact CG-CE2 3.99Å; R8-Y12 HydrophobicContact CG-CG 3.69Å; R8-Y12 PolarHBondContact NE-OH 3.49Å; R8-Y12 PolarHBondContact NH1-OH 3.29Å; R8-Y12 PolarHBondContact NH2-OH 3.2Å; N9-Y12 WeakPolarHBondContact O-CB 3.35Å; N9-Y12 PolarHBondContact O-N 3.33Å; N9-Y12 VanDerWaalsContact O-N 3.09Å; N9-Y12 WeakPolarHBondContact OD1-CB 3.31Å; N9-Y12 PolarHBondContact OD1-N 3.01Å; A10-Y12 VanDerWaalsContact C-N 3.35Å; A10-Y12 PolarHBondContact O-N 3.44Å; Y12-V15 PolarHBondContact O-N 2.94Å; Y12-Q16 HydrophobicContact CE1-CB 4.44Å; Y12-Q16 WeakPolarHBondContact O-CB 3.45Å; Y12-Q16 PolarHBondContact O-N 3.15Å; Y12-Q16 PolarHBondContact OH-OE1 3Å; Y12-V32 HydrophobicContact CD2-CB 4.47Å; Y12-V32 HydrophobicContact CD2-CG1 3.88Å; Y12-V32 HydrophobicContact CD2-CG2 4.34Å; Y12-V32 HydrophobicContact CE2-CB 4.06Å; Y12-V32 HydrophobicContact CE2-CG1 3.99Å; Y12-V32 HydrophobicContact CE2-CG2 3.71Å; Y12-Y246 WeakPolarHBondContact CB-OH 3.14Å; Y12-Y246 HydrophobicContact CD2-CE1 4.12Å
13F74.7Confident68.6Low97 Ų9776 Ų7643%0.42537%0.369SS..Hα-helixtrans-69.2-40.8-176.1-69.4-71.6000111.4R8 N9 A10 Y11 V15 Q16 E17R8-F13 HydrophobicContact CB-CD2 4.35Å; R8-F13 HydrophobicContact CB-CE1 4.43Å; R8-F13 HydrophobicContact CB-CE2 3.6Å; R8-F13 HydrophobicContact CB-CZ 3.65Å; R8-F13 WeakPolarHBondContact O-CE2 3.28Å; N9-F13 WeakPolarHBondContact O-CD2 3.32Å; A10-F13 PolarHBondContact O-N 2.81Å; Y11-F13 VanDerWaalsContact C-N 3.31Å; Y11-F13 PolarHBondContact O-N 3.16Å; F13-V15 PolarHBondContact O-N 3.44Å; F13-Q16 WeakPolarHBondContact O-CB 3.35Å; F13-Q16 PolarHBondContact O-N 2.91Å; F13-E17 WeakPolarHBondContact O-CG 3.13Å; F13-E17 PolarHBondContact O-N 3.18Å
14F78.1Confident71Confident44 Ų4478 Ų7819%0.19336%0.364CS..Hα-helixtrans-57.4-47.5172.3170.9-96.4000112.5A10 Y11 Q16 E17 K18 C39 D42 W43A10-F14 PolarHBondContact O-N 3.32Å; A10-F14 VanDerWaalsContact O-N 3.13Å; Y11-F14 HydrophobicContact CD2-CD1 4.19Å; Y11-F14 HydrophobicContact CE2-CD1 4.2Å; Y11-F14 PolarHBondContact O-N 3.25Å; F14-Q16 VanDerWaalsContact C-N 3.32Å; F14-Q16 PolarHBondContact O-N 3.29Å; F14-E17 PolarHBondContact O-N 3.45Å; F14-K18 HydrophobicContact CE1-CG 4.4Å; F14-K18 HydrophobicContact CZ-CG 4.28Å; F14-K18 WeakPolarHBondContact O-CG 3.43Å; F14-K18 PolarHBondContact O-N 3.11Å; F14-C39 HydrophobicContact CD1-CB 4.36Å; F14-C39 HydrophobicContact CE1-CB 3.9Å; F14-D42 HydrophobicContact CE1-CB 4.48Å; F14-D42 HydrophobicContact CZ-CB 3.97Å; F14-W43 HydrophobicContact CB-CE3 3.55Å; F14-W43 HydrophobicContact CB-CH2 4.26Å; F14-W43 HydrophobicContact CB-CZ3 3.32Å; F14-W43 HydrophobicContact CD1-CB 4.04Å; F14-W43 HydrophobicContact CD1-CD2 4.1Å; F14-W43 AromaticContact CD1-CE3 3.4Å; F14-W43 HydrophobicContact CD1-CE3 3.4Å; F14-W43 HydrophobicContact CD1-CG 4.41Å; F14-W43 HydrophobicContact CD1-CZ3 4.13Å; F14-W43 AromaticContact CD2-CE3 3.68Å; F14-W43 HydrophobicContact CD2-CE3 3.68Å; F14-W43 AromaticContact CD2-CZ3 3.91Å; F14-W43 HydrophobicContact CD2-CZ3 3.91Å; F14-W43 HydrophobicContact CE1-CB 3.67Å; F14-W43 AromaticContact CE1-CE3 3.95Å; F14-W43 HydrophobicContact CE1-CE3 3.95Å; F14-W43 HydrophobicContact CE1-CG 4.47Å; F14-W43 HydrophobicContact CE2-CE3 4.18Å; F14-W43 HydrophobicContact CG-CD2 4.33Å; F14-W43 AromaticContact CG-CE3 3.23Å; F14-W43 HydrophobicContact CG-CE3 3.23Å; F14-W43 AromaticContact CG-CZ3 3.52Å; F14-W43 HydrophobicContact CG-CZ3 3.52Å; F14-W43 HydrophobicContact CZ-CB 4.29Å; F14-W43 HydrophobicContact CZ-CE3 4.3Å
15V77.5Confident73.2Confident0 Ų075 Ų750%035%0.353CS..Hα-helixtrans-62.3-43.2176.7176.60000110.1Y11 Y12 F13 E17 K18 I19 V32 A35 I36 C39Y11-V15 HydrophobicContact CD1-CG2 4.4Å; Y11-V15 HydrophobicContact CD2-CG2 3.89Å; Y11-V15 HydrophobicContact CE1-CG2 4.08Å; Y11-V15 HydrophobicContact CE2-CG2 3.55Å; Y11-V15 HydrophobicContact CG-CG2 4.32Å; Y11-V15 VanDerWaalsContact O-CG2 3.27Å; Y11-V15 WeakPolarHBondContact O-CG2 3.24Å; Y11-V15 PolarHBondContact O-N 3.16Å; Y12-V15 PolarHBondContact O-N 2.94Å; F13-V15 PolarHBondContact O-N 3.44Å; V15-E17 VanDerWaalsContact C-N 3.29Å; V15-E17 PolarHBondContact O-N 3.42Å; V15-K18 PolarHBondContact O-N 2.65Å; V15-I19 WeakPolarHBondContact O-CG1 3.46Å; V15-I19 PolarHBondContact O-N 3.14Å; V15-V32 HydrophobicContact CB-CG1 4.11Å; V15-V32 HydrophobicContact CG1-CG1 3.76Å; V15-A35 HydrophobicContact CG1-CB 3.34Å; V15-I36 HydrophobicContact CG1-CG1 4.11Å; V15-I36 HydrophobicContact CG2-CG1 4.04Å; V15-C39 HydrophobicContact CG2-CB 3.81Å
16Q78.1Confident75.3Confident80 Ų8070 Ų7037%0.37435%0.351SS..Hα-helixtrans-60-38.1178.7-160.3-171.3-85.300112.3Y12 F13 F14 K18 I19Y12-Q16 HydrophobicContact CE1-CB 4.44Å; Y12-Q16 WeakPolarHBondContact O-CB 3.45Å; Y12-Q16 PolarHBondContact O-N 3.15Å; Y12-Q16 PolarHBondContact OH-OE1 3Å; F13-Q16 WeakPolarHBondContact O-CB 3.35Å; F13-Q16 PolarHBondContact O-N 2.91Å; F14-Q16 VanDerWaalsContact C-N 3.32Å; F14-Q16 PolarHBondContact O-N 3.29Å; Q16-K18 VanDerWaalsContact C-N 3.29Å; Q16-K18 PolarHBondContact O-N 2.99Å; Q16-I19 PolarHBondContact O-N 3.31Å
17E83.9Confident77.2Confident151 Ų15169.8 Ų69.871%0.70634%0.343SS*.Hα-helixtrans-66.8-29.5175.4-74.4175.5-176.400113F13 F14 V15 P20F13-E17 WeakPolarHBondContact O-CG 3.13Å; F13-E17 PolarHBondContact O-N 3.18Å; F14-E17 PolarHBondContact O-N 3.45Å; V15-E17 VanDerWaalsContact C-N 3.29Å; V15-E17 PolarHBondContact O-N 3.42Å; E17-P20 WeakPolarHBondContact O-CD 3.5Å
18K83.9Confident78.7Confident51 Ų5172.4 Ų72.422%0.22236%0.358CS..Hα-helixtrans-82.3-21.5-180-73.1-76.5172.8178.90113.9F14 V15 Q16 E21 L22 C39F14-K18 HydrophobicContact CE1-CG 4.4Å; F14-K18 HydrophobicContact CZ-CG 4.28Å; F14-K18 WeakPolarHBondContact O-CG 3.43Å; F14-K18 PolarHBondContact O-N 3.11Å; V15-K18 PolarHBondContact O-N 2.65Å; Q16-K18 VanDerWaalsContact C-N 3.29Å; Q16-K18 PolarHBondContact O-N 2.99Å; K18-E21 WeakPolarHBondContact CD-OE2 3.48Å; K18-E21 IonicContact NZ-OE2 2.85Å; K18-E21 PolarHBondContact NZ-OE2 3.18Å; K18-E21 WeakPolarHBondContact O-CB 3.4Å; K18-E21 PolarHBondContact O-N 3.14Å; K18-L22 HydrophobicContact CB-CD1 4.43Å; K18-L22 WeakPolarHBondContact O-CG 3.19Å; K18-L22 PolarHBondContact O-N 3.33Å; K18-C39 WeakPolarHBondContact CB-SG 3.42Å
19I83Confident79.6Confident16 Ų1668.3 Ų68.38%0.08234%0.343CS..Hα-helixtrans-50.3-48-178.9-71.2172.1000113.5V15 Q16 E21 L22 R23 V29 V32 A35V15-I19 WeakPolarHBondContact O-CG1 3.46Å; V15-I19 PolarHBondContact O-N 3.14Å; Q16-I19 PolarHBondContact O-N 3.31Å; I19-E21 VanDerWaalsContact C-N 3.3Å; I19-E21 PolarHBondContact O-N 3.16Å; I19-L22 PolarHBondContact O-N 2.87Å; I19-R23 HydrophobicContact CG2-CG 4.37Å; I19-R23 WeakPolarHBondContact O-CG 3.28Å; I19-R23 PolarHBondContact O-N 2.91Å; I19-V29 HydrophobicContact CB-CG1 4.46Å; I19-V29 HydrophobicContact CG1-CG1 3.96Å; I19-V29 HydrophobicContact CG2-CG1 4.1Å; I19-V32 HydrophobicContact CD1-CG2 3.95Å; I19-A35 HydrophobicContact CD1-CB 4.42Å; I19-A35 HydrophobicContact CG1-CB 3.74Å
20P83.3Confident80.1Confident74 Ų7470.1 Ų70.148%0.48136%0.364SS..Hα-helixtrans-63.9-33.9179.8-21.834.2000113.3E17 R24E17-P20 WeakPolarHBondContact O-CD 3.5Å; P20-R24 WeakPolarHBondContact O-CG 3.41Å; P20-R24 PolarHBondContact O-N 3.42Å; P20-R24 VanDerWaalsContact O-N 3.11Å
21E86.3Confident80.3Confident66 Ų6675.1 Ų75.131%0.30837%0.367SS..Hα-helixtrans-68.3-45.5175.1-167.7-166.2145.700110.9K18 I19 R23 R24 R25K18-E21 WeakPolarHBondContact CD-OE2 3.48Å; K18-E21 IonicContact NZ-OE2 2.85Å; K18-E21 PolarHBondContact NZ-OE2 3.18Å; K18-E21 WeakPolarHBondContact O-CB 3.4Å; K18-E21 PolarHBondContact O-N 3.14Å; I19-E21 VanDerWaalsContact C-N 3.3Å; I19-E21 PolarHBondContact O-N 3.16Å; E21-R23 VanDerWaalsContact C-N 3.34Å; E21-R23 PolarHBondContact O-N 3.47Å; E21-R24 PolarHBondContact O-N 3.3Å; E21-R25 WeakPolarHBondContact O-CG 3.29Å; E21-R25 PolarHBondContact O-N 2.81Å
22L83.9Confident80.3Confident4 Ų475.8 Ų75.82%0.02137%0.372CS..Hα-helixtrans-62.7-40.3177.9-62.8173.2000111.9K18 I19 R25 G26 L27 V29 A35 Y38K18-L22 HydrophobicContact CB-CD1 4.43Å; K18-L22 WeakPolarHBondContact O-CG 3.19Å; K18-L22 PolarHBondContact O-N 3.33Å; I19-L22 PolarHBondContact O-N 2.87Å; L22-R25 WeakPolarHBondContact O-CB 3.37Å; L22-R25 PolarHBondContact O-N 2.83Å; L22-G26 PolarHBondContact O-N 3.42Å; L22-L27 HydrophobicContact CB-CB 4.5Å; L22-L27 HydrophobicContact CB-CD1 4.2Å; L22-L27 HydrophobicContact CD2-CD1 3.66Å; L22-L27 WeakPolarHBondContact O-CB 3.49Å; L22-L27 PolarHBondContact O-N 3.06Å; L22-L27 VanDerWaalsContact O-N 3.13Å; L22-V29 HydrophobicContact CB-CG2 4.05Å; L22-V29 HydrophobicContact CD1-CG2 4.35Å; L22-A35 HydrophobicContact CD1-CB 3.78Å; L22-Y38 HydrophobicContact CD1-CD2 4.06Å; L22-Y38 HydrophobicContact CD1-CG 4.36Å; L22-Y38 VanDerWaalsContact CD2-CB 3.48Å; L22-Y38 HydrophobicContact CD2-CD2 4.36Å; L22-Y38 HydrophobicContact CD2-CG 4Å
23R85.4Confident79.9Confident134 Ų13476.8 Ų76.851%0.50639%0.386SS..Hα-helixtrans-63.1-41.9173.7-74.1178.7179.5171.42.4112.4I19 E21 R25 G26 V29 A30I19-R23 HydrophobicContact CG2-CG 4.37Å; I19-R23 WeakPolarHBondContact O-CG 3.28Å; I19-R23 PolarHBondContact O-N 2.91Å; E21-R23 VanDerWaalsContact C-N 3.34Å; E21-R23 PolarHBondContact O-N 3.47Å; R23-R25 PolarHBondContact O-N 3.3Å; R23-G26 PolarHBondContact O-N 2.91Å; R23-V29 PolarHBondContact NE-O 3.01Å; R23-V29 PolarHBondContact NH2-O 3.42Å; R23-V29 VanDerWaalsContact NH2-O 3.14Å; R23-A30 PolarHBondContact NH2-O 2.84Å; R23-A30 VanDerWaalsContact NH2-O 3.14Å
24R85.5Confident79.9Confident206 Ų20674.7 Ų74.778%0.77738%0.379SS*.Hα-helixtrans-62.7-29.3174.7-78.8-173.7-66.3165.90.5112.7P20 E21 G26P20-R24 WeakPolarHBondContact O-CG 3.41Å; P20-R24 PolarHBondContact O-N 3.42Å; P20-R24 VanDerWaalsContact O-N 3.11Å; E21-R24 PolarHBondContact O-N 3.3Å; R24-G26 PolarHBondContact O-N 3.15Å
25R84.8Confident79.9Confident151 Ų15172.6 Ų72.657%0.5737%0.37SS*.THydrogen-bonded Turntrans-78.62.4173.7-68169.660-174.5-4113.5E21 L22 R23 L27E21-R25 WeakPolarHBondContact O-CG 3.29Å; E21-R25 PolarHBondContact O-N 2.81Å; L22-R25 WeakPolarHBondContact O-CB 3.37Å; L22-R25 PolarHBondContact O-N 2.83Å; R23-R25 PolarHBondContact O-N 3.3Å; R25-L27 HydrophobicContact CB-CD1 4.47Å; R25-L27 HydrophobicContact CB-CG 4.43Å
26G83.7Confident79.6Confident68 Ų6873.1 Ų73.170%0.70137%0.373SS*.THydrogen-bonded Turntrans78.513.9178.600000114.7L22 R23 R24L22-G26 PolarHBondContact O-N 3.42Å; R23-G26 PolarHBondContact O-N 2.91Å; R24-G26 PolarHBondContact O-N 3.15Å
27L83.1Confident79.1Confident42 Ų4270.9 Ų70.922%0.2237%0.365CS..  trans-80.1141.4-179.5-62.4170.3000111.3L22 R25 V29 Y38L22-L27 HydrophobicContact CB-CB 4.5Å; L22-L27 HydrophobicContact CB-CD1 4.2Å; L22-L27 HydrophobicContact CD2-CD1 3.66Å; L22-L27 WeakPolarHBondContact O-CB 3.49Å; L22-L27 PolarHBondContact O-N 3.06Å; L22-L27 VanDerWaalsContact O-N 3.13Å; R25-L27 HydrophobicContact CB-CD1 4.47Å; R25-L27 HydrophobicContact CB-CG 4.43Å; L27-V29 VanDerWaalsContact C-N 3.29Å; L27-V29 HydrophobicContact CB-CG2 4.02Å; L27-V29 PolarHBondContact O-N 3.27Å; L27-Y38 HydrophobicContact CB-CE2 4.21Å; L27-Y38 HydrophobicContact CD1-CD1 3.67Å; L27-Y38 HydrophobicContact CD1-CD2 4.12Å; L27-Y38 HydrophobicContact CD1-CE1 3.75Å; L27-Y38 HydrophobicContact CD1-CE2 4.17Å; L27-Y38 HydrophobicContact CD1-CG 3.86Å; L27-Y38 HydrophobicContact CD2-CD1 4.5Å; L27-Y38 HydrophobicContact CD2-CE1 3.77Å; L27-Y38 HydrophobicContact CG-CE1 4.28Å
28P78.7Confident78.6Confident107 Ų10767.5 Ų67.570%0.69535%0.346SS*.  trans-77.574-17533.2-36.2000111.7
29V81.6Confident78.1Confident7 Ų765.1 Ų65.14%0.04234%0.336CS..  trans-113.599.3-173.5-179.80000111.3I19 L22 R23 L27 D34 A35 Y38I19-V29 HydrophobicContact CB-CG1 4.46Å; I19-V29 HydrophobicContact CG1-CG1 3.96Å; I19-V29 HydrophobicContact CG2-CG1 4.1Å; L22-V29 HydrophobicContact CB-CG2 4.05Å; L22-V29 HydrophobicContact CD1-CG2 4.35Å; R23-V29 PolarHBondContact NE-O 3.01Å; R23-V29 PolarHBondContact NH2-O 3.42Å; R23-V29 VanDerWaalsContact NH2-O 3.14Å; L27-V29 VanDerWaalsContact C-N 3.29Å; L27-V29 HydrophobicContact CB-CG2 4.02Å; L27-V29 PolarHBondContact O-N 3.27Å; V29-D34 HydrophobicContact CB-CB 4.47Å; V29-D34 HydrophobicContact CG1-CB 4.26Å; V29-A35 HydrophobicContact CG1-CB 3.58Å; V29-Y38 HydrophobicContact CG2-CD2 4.1Å; V29-Y38 HydrophobicContact CG2-CE2 3.86Å
30A73.4Confident77.3Confident75 Ų7565.6 Ų65.662%0.6234%0.34SS*.SBendtrans-94.2-39.217900000112.7R23 D34R23-A30 PolarHBondContact NH2-O 2.84Å; R23-A30 VanDerWaalsContact NH2-O 3.14Å; A30-D34 VanDerWaalsContact CA-OD2 3.32Å; A30-D34 WeakPolarHBondContact CA-OD2 3.25Å; A30-D34 WeakPolarHBondContact CB-OD2 3.45Å; A30-D34 PolarHBondContact N-OD2 3.09Å
31R69.9Low76.4Confident175 Ų17564.6 Ų64.666%0.6634%0.336SS*.SBendtrans-132.4171.5-17959-176.573176.62.5111.8A33 D34 A35R31-A33 VanDerWaalsContact C-N 3.28Å; R31-A33 HydrophobicContact CG-CB 4.19Å; R31-A33 PolarHBondContact O-N 3.49Å; R31-D34 VanDerWaalsContact CG-OD1 3.29Å; R31-D34 WeakPolarHBondContact CG-OD1 3.42Å; R31-D34 WeakPolarHBondContact CG-OD2 3.16Å; R31-D34 PolarHBondContact N-OD2 2.83Å; R31-D34 WeakPolarHBondContact O-CB 3.43Å; R31-D34 PolarHBondContact O-N 3Å; R31-D34 VanDerWaalsContact O-N 3.08Å; R31-A35 PolarHBondContact O-N 3.36Å
32V71.3Confident75.5Confident16 Ų1663.5 Ų63.510%0.09733%0.332CS..Hα-helixtrans-58.1-39.8-178.2172.50000111.9Y12 V15 I19 D34 A35 I36Y12-V32 HydrophobicContact CD2-CB 4.47Å; Y12-V32 HydrophobicContact CD2-CG1 3.88Å; Y12-V32 HydrophobicContact CD2-CG2 4.34Å; Y12-V32 HydrophobicContact CE2-CB 4.06Å; Y12-V32 HydrophobicContact CE2-CG1 3.99Å; Y12-V32 HydrophobicContact CE2-CG2 3.71Å; V15-V32 HydrophobicContact CB-CG1 4.11Å; V15-V32 HydrophobicContact CG1-CG1 3.76Å; I19-V32 HydrophobicContact CD1-CG2 3.95Å; V32-D34 PolarHBondContact O-N 2.79Å; V32-A35 WeakPolarHBondContact O-CB 3.37Å; V32-A35 PolarHBondContact O-N 3.24Å; V32-I36 HydrophobicContact CG1-CD1 4.17Å; V32-I36 WeakPolarHBondContact O-CD1 3.48Å; V32-I36 WeakPolarHBondContact O-CG1 3.44Å; V32-I36 PolarHBondContact O-N 3.26Å
33A68.1Low74.6Confident49 Ų4967.3 Ų67.341%0.40535%0.346SS..Hα-helixtrans-51.5-43.5174.300000112.5R31 A35 I36R31-A33 VanDerWaalsContact C-N 3.28Å; R31-A33 HydrophobicContact CG-CB 4.19Å; R31-A33 PolarHBondContact O-N 3.49Å; A33-A35 VanDerWaalsContact C-N 3.27Å; A33-A35 PolarHBondContact O-N 3.09Å; A33-I36 PolarHBondContact O-N 3.35Å
34D74.9Confident73.2Confident52 Ų5261.8 Ų61.828%0.27833%0.329SS..Hα-helixtrans-71.3-21.7-178-42-22.1000112.9V29 A30 R31 V32 Y38V29-D34 HydrophobicContact CB-CB 4.47Å; V29-D34 HydrophobicContact CG1-CB 4.26Å; A30-D34 VanDerWaalsContact CA-OD2 3.32Å; A30-D34 WeakPolarHBondContact CA-OD2 3.25Å; A30-D34 WeakPolarHBondContact CB-OD2 3.45Å; A30-D34 PolarHBondContact N-OD2 3.09Å; R31-D34 VanDerWaalsContact CG-OD1 3.29Å; R31-D34 WeakPolarHBondContact CG-OD1 3.42Å; R31-D34 WeakPolarHBondContact CG-OD2 3.16Å; R31-D34 PolarHBondContact N-OD2 2.83Å; R31-D34 WeakPolarHBondContact O-CB 3.43Å; R31-D34 PolarHBondContact O-N 3Å; R31-D34 VanDerWaalsContact O-N 3.08Å; V32-D34 PolarHBondContact O-N 2.79Å; D34-Y38 WeakPolarHBondContact O-CE2 3.49Å
35A78.1Confident71.7Confident0 Ų057.8 Ų57.80%032%0.317CS..Hα-helixtrans-88.2-22.4-177.700000113.2V15 I19 L22 V29 R31 V32 A33 P37 Y38 C39V15-A35 HydrophobicContact CG1-CB 3.34Å; I19-A35 HydrophobicContact CD1-CB 4.42Å; I19-A35 HydrophobicContact CG1-CB 3.74Å; L22-A35 HydrophobicContact CD1-CB 3.78Å; V29-A35 HydrophobicContact CG1-CB 3.58Å; R31-A35 PolarHBondContact O-N 3.36Å; V32-A35 WeakPolarHBondContact O-CB 3.37Å; V32-A35 PolarHBondContact O-N 3.24Å; A33-A35 VanDerWaalsContact C-N 3.27Å; A33-A35 PolarHBondContact O-N 3.09Å; A35-P37 VanDerWaalsContact C-CD 3.48Å; A35-Y38 PolarHBondContact O-N 3.17Å; A35-Y38 VanDerWaalsContact O-N 3.16Å; A35-C39 PolarHBondContact O-N 3.42Å; A35-C39 PolarHBondContact O-SG 3.04Å; A35-C39 VanDerWaalsContact O-SG 3.38Å
36I69.9Low69.7Low12 Ų1254 Ų546%0.06231%0.312CS..Hα-helixtrans-56.2-43.4-174.8-77.9155.6000113.7Y11 V15 V32 A33 Y38 C39 S40 Y246Y11-I36 HydrophobicContact CE1-CG1 4.11Å; Y11-I36 HydrophobicContact CE1-CG2 4.26Å; Y11-I36 PolarHBondContact OH-O 3.36Å; V15-I36 HydrophobicContact CG1-CG1 4.11Å; V15-I36 HydrophobicContact CG2-CG1 4.04Å; V32-I36 HydrophobicContact CG1-CD1 4.17Å; V32-I36 WeakPolarHBondContact O-CD1 3.48Å; V32-I36 WeakPolarHBondContact O-CG1 3.44Å; V32-I36 PolarHBondContact O-N 3.26Å; A33-I36 PolarHBondContact O-N 3.35Å; I36-Y38 PolarHBondContact O-N 3.1Å; I36-C39 PolarHBondContact O-N 3Å; I36-S40 PolarHBondContact O-N 3.36Å; I36-Y246 HydrophobicContact CD1-CD1 4.12Å; I36-Y246 HydrophobicContact CD1-CD2 3.83Å; I36-Y246 HydrophobicContact CD1-CG 3.43Å; I36-Y246 VanDerWaalsContact CD1-CG 3.43Å
37P69Low67.7Low32 Ų3255.9 Ų55.921%0.20831%0.309CS..Hα-helixtrans-57.9-34.3178.6-26.135.6000113.3A35 S40 D296A35-P37 VanDerWaalsContact C-CD 3.48Å; P37-S40 PolarHBondContact O-OG 2.88Å; P37-D296 HydrophobicContact CG-CB 4.18Å
38Y73.5Confident65.2Low81 Ų8162.4 Ų62.432%0.31834%0.336SS..Hα-helixtrans-84.1-18.1-179.5-50.5-68.8000113.3L22 L27 V29 D34 A35 I36L22-Y38 HydrophobicContact CD1-CD2 4.06Å; L22-Y38 HydrophobicContact CD1-CG 4.36Å; L22-Y38 VanDerWaalsContact CD2-CB 3.48Å; L22-Y38 HydrophobicContact CD2-CD2 4.36Å; L22-Y38 HydrophobicContact CD2-CG 4Å; L27-Y38 HydrophobicContact CB-CE2 4.21Å; L27-Y38 HydrophobicContact CD1-CD1 3.67Å; L27-Y38 HydrophobicContact CD1-CD2 4.12Å; L27-Y38 HydrophobicContact CD1-CE1 3.75Å; L27-Y38 HydrophobicContact CD1-CE2 4.17Å; L27-Y38 HydrophobicContact CD1-CG 3.86Å; L27-Y38 HydrophobicContact CD2-CD1 4.5Å; L27-Y38 HydrophobicContact CD2-CE1 3.77Å; L27-Y38 HydrophobicContact CG-CE1 4.28Å; V29-Y38 HydrophobicContact CG2-CD2 4.1Å; V29-Y38 HydrophobicContact CG2-CE2 3.86Å; D34-Y38 WeakPolarHBondContact O-CE2 3.49Å; A35-Y38 PolarHBondContact O-N 3.17Å; A35-Y38 VanDerWaalsContact O-N 3.16Å; I36-Y38 PolarHBondContact O-N 3.1Å
39C73.1Confident63Low0 Ų062.3 Ų62.30%033%0.334CS..Hα-helixtrans-104-17.9-174.3-70.50000113.1F14 V15 K18 A35 I36 S41 D42 W43F14-C39 HydrophobicContact CD1-CB 4.36Å; F14-C39 HydrophobicContact CE1-CB 3.9Å; V15-C39 HydrophobicContact CG2-CB 3.81Å; K18-C39 WeakPolarHBondContact CB-SG 3.42Å; A35-C39 PolarHBondContact O-N 3.42Å; A35-C39 PolarHBondContact O-SG 3.04Å; A35-C39 VanDerWaalsContact O-SG 3.38Å; I36-C39 PolarHBondContact O-N 3Å; C39-S41 PolarHBondContact O-N 3.23Å; C39-D42 PolarHBondContact O-N 2.8Å; C39-W43 WeakPolarHBondContact O-CB 3.44Å; C39-W43 PolarHBondContact O-N 2.85Å
40S65.6Low60.6Low26 Ų2668.1 Ų68.118%0.18237%0.372CS..Hα-helixtrans-60.4-45.1-178.158.90000112.5Y11 I36 P37 A44Y11-S40 WeakPolarHBondContact OH-CA 3.48Å; Y11-S40 PolarHBondContact OH-N 3.49Å; I36-S40 PolarHBondContact O-N 3.36Å; P37-S40 PolarHBondContact O-OG 2.88Å; S40-A44 WeakPolarHBondContact O-CB 3.41Å; S40-A44 PolarHBondContact O-N 3.39Å
41S65.1Low58.7Low54 Ų5472.1 Ų72.138%0.37838%0.382SS..Hα-helixtrans-67.8-42.4176.563.30000112.2C39 A44 K45C39-S41 PolarHBondContact O-N 3.23Å; S41-A44 PolarHBondContact O-N 2.98Å; S41-K45 WeakPolarHBondContact O-CG 3.1Å; S41-K45 PolarHBondContact O-N 2.71Å
42D65.9Low57.1Low43 Ų4375.4 Ų75.423%0.2339%0.394CS..Hα-helixtrans-67.8-35.8177.3-80-8000112.5F14 C39 A44 K45F14-D42 HydrophobicContact CE1-CB 4.48Å; F14-D42 HydrophobicContact CZ-CB 3.97Å; C39-D42 PolarHBondContact O-N 2.8Å; D42-A44 VanDerWaalsContact C-N 3.31Å; D42-K45 WeakPolarHBondContact O-CB 3.34Å; D42-K45 PolarHBondContact O-N 3.49Å; D42-K45 WeakPolarHBondContact OD1-CE 3.29Å; D42-K45 IonicContact OD1-NZ 2.79Å; D42-K45 PolarHBondContact OD1-NZ 2.79Å
43W66.2Low55.2Low84 Ų8486.3 Ų86.332%0.31843%0.434SS..Hα-helixtrans-68-32.5174.2-179.7-110.4000112.4A10 Y11 F14 C39 K45A10-W43 HydrophobicContact CB-CH2 3.95Å; A10-W43 HydrophobicContact CB-CZ2 4.42Å; Y11-W43 HydrophobicContact CD2-CB 3.92Å; Y11-W43 AromaticContact CD2-CD1 3.49Å; Y11-W43 VanDerWaalsContact CD2-CD1 3.49Å; Y11-W43 AromaticContact CD2-CD2 3.37Å; Y11-W43 HydrophobicContact CD2-CD2 3.37Å; Y11-W43 AromaticContact CD2-CE2 3.54Å; Y11-W43 HydrophobicContact CD2-CE3 4Å; Y11-W43 AromaticContact CD2-CG 3.32Å; Y11-W43 HydrophobicContact CD2-CG 3.32Å; Y11-W43 HydrophobicContact CD2-CZ2 4.25Å; Y11-W43 AromaticContact CD2-NE1 3.61Å; Y11-W43 HydrophobicContact CE2-CB 3.54Å; Y11-W43 AromaticContact CE2-CD1 3.7Å; Y11-W43 AromaticContact CE2-CD2 3.99Å; Y11-W43 HydrophobicContact CE2-CD2 3.99Å; Y11-W43 AromaticContact CE2-CG 3.46Å; Y11-W43 HydrophobicContact CE2-CG 3.46Å; Y11-W43 VanDerWaalsContact CE2-CG 3.46Å; Y11-W43 HydrophobicContact CG-CD2 4.33Å; Y11-W43 HydrophobicContact CG-CG 4.42Å; Y11-W43 HydrophobicContact CG-CZ2 4.5Å; F14-W43 HydrophobicContact CB-CE3 3.55Å; F14-W43 HydrophobicContact CB-CH2 4.26Å; F14-W43 HydrophobicContact CB-CZ3 3.32Å; F14-W43 HydrophobicContact CD1-CB 4.04Å; F14-W43 HydrophobicContact CD1-CD2 4.1Å; F14-W43 AromaticContact CD1-CE3 3.4Å; F14-W43 HydrophobicContact CD1-CE3 3.4Å; F14-W43 HydrophobicContact CD1-CG 4.41Å; F14-W43 HydrophobicContact CD1-CZ3 4.13Å; F14-W43 AromaticContact CD2-CE3 3.68Å; F14-W43 HydrophobicContact CD2-CE3 3.68Å; F14-W43 AromaticContact CD2-CZ3 3.91Å; F14-W43 HydrophobicContact CD2-CZ3 3.91Å; F14-W43 HydrophobicContact CE1-CB 3.67Å; F14-W43 AromaticContact CE1-CE3 3.95Å; F14-W43 HydrophobicContact CE1-CE3 3.95Å; F14-W43 HydrophobicContact CE1-CG 4.47Å; F14-W43 HydrophobicContact CE2-CE3 4.18Å; F14-W43 HydrophobicContact CG-CD2 4.33Å; F14-W43 AromaticContact CG-CE3 3.23Å; F14-W43 HydrophobicContact CG-CE3 3.23Å; F14-W43 AromaticContact CG-CZ3 3.52Å; F14-W43 HydrophobicContact CG-CZ3 3.52Å; F14-W43 HydrophobicContact CZ-CB 4.29Å; F14-W43 HydrophobicContact CZ-CE3 4.3Å; C39-W43 WeakPolarHBondContact O-CB 3.44Å; C39-W43 PolarHBondContact O-N 2.85Å; W43-K45 VanDerWaalsContact C-N 3.27Å; W43-K45 PolarHBondContact O-N 3.43Å
44A55Low53.6Low17 Ų1790 Ų9014%0.1445%0.453CS..THydrogen-bonded Turntrans-76.8-10.6175.600000113.4S40 S41 D42 P305S40-A44 WeakPolarHBondContact O-CB 3.41Å; S40-A44 PolarHBondContact O-N 3.39Å; S41-A44 PolarHBondContact O-N 2.98Å; D42-A44 VanDerWaalsContact C-N 3.31Å; A44-P305 HydrophobicContact CB-CB 4.15Å
45K54.8Low51.6Low123 Ų12391.1 Ų91.154%0.53548%0.477SS..SBendtrans-75.2128.3177.2-72170.6-169.4169.30110.1S41 D42 W43 V47S41-K45 WeakPolarHBondContact O-CG 3.1Å; S41-K45 PolarHBondContact O-N 2.71Å; D42-K45 WeakPolarHBondContact O-CB 3.34Å; D42-K45 PolarHBondContact O-N 3.49Å; D42-K45 WeakPolarHBondContact OD1-CE 3.29Å; D42-K45 IonicContact OD1-NZ 2.79Å; D42-K45 PolarHBondContact OD1-NZ 2.79Å; W43-K45 VanDerWaalsContact C-N 3.27Å; W43-K45 PolarHBondContact O-N 3.43Å; K45-V47 PolarHBondContact O-N 2.89Å
46P43.1Very low49.4Very low72 Ų72100.2 Ų100.247%0.46852%0.522SS..  trans-62.1131.3175.323.1-30.7000110.6F48P46-F48 HydrophobicContact CB-CE2 4.45Å; P46-F48 HydrophobicContact CG-CD2 4.2Å; P46-F48 HydrophobicContact CG-CE2 3.77Å; P46-F48 PolarHBondContact O-N 3.38Å
47V40.4Very low47.7Very low106 Ų106108 Ų10864%0.64256%0.563SS**  trans-69.298.6165.9-179.80000107.1K45 T49 M307K45-V47 PolarHBondContact O-N 2.89Å; V47-T49 PolarHBondContact O-N 2.79Å; V47-M307 HydrophobicContact CB-SD 4.38Å; V47-M307 HydrophobicContact CG2-CE 4.28Å; V47-M307 HydrophobicContact CG2-SD 4.3Å
48F32.1Very low46.1Very low179 Ų179112.8 Ų112.879%0.78559%0.592SS**  trans-7296.7170.9-84.2-84.7000109.3P46P46-F48 HydrophobicContact CB-CE2 4.45Å; P46-F48 HydrophobicContact CG-CD2 4.2Å; P46-F48 HydrophobicContact CG-CE2 3.77Å; P46-F48 PolarHBondContact O-N 3.38Å
49T31.6Very low44.2Very low106 Ų106114.8 Ų114.865%0.6561%0.614SS**  trans-83.5121.3149.631.20000107.6V47 L51V47-T49 PolarHBondContact O-N 2.79Å; T49-L51 PolarHBondContact O-N 2.79Å
50P30.9Very low42.2Very low129 Ų129124.9 Ų124.984%0.83866%0.658SS**  trans-69.8101.2-177.925-29.8000110
51L35.1Very low40.6Very low159 Ų159132.8 Ų132.883%0.83269%0.692SS**PPolyproline II helixtrans-80.4131.3163.7-71.2171.1000108.9T49 R53T49-L51 PolarHBondContact O-N 2.79Å; L51-R53 PolarHBondContact O-N 3.07Å
52R35Very low39.2Very low243 Ų243138.2 Ų138.292%0.91772%0.717SS**PPolyproline II helixtrans-49.8133.3178.8-87.2-178170-169-2.3111.5P54R52-P54 WeakPolarHBondContact O-CD 3.35Å
53R32.7Very low37.7Very low246 Ų246142.7 Ų142.793%0.92875%0.746SS**PPolyproline II helixtrans-60.7129.6177.5-66.3-179.8-177.4-179.50.3111.9L51L51-R53 PolarHBondContact O-N 3.07Å
54P33.2Very low36.2Very low125 Ų125143.8 Ų143.881%0.81277%0.766SS**PPolyproline II helixtrans-82.2149.6155.4-7.826.4000110.9R52R52-P54 WeakPolarHBondContact O-CD 3.35Å
55G32.8Very low35.3Very low76 Ų76148.4 Ų148.478%0.78480%0.795SS**PPolyproline II helixtrans-64.6158-169.300000116.5
56M32Very low34.4Very low192 Ų192147.4 Ų147.495%0.94680%0.801SS**PPolyproline II helixtrans-64.6137.7-178-6517564.600112.7
57L33.8Very low34.4Very low175 Ų175150.7 Ų150.792%0.91682%0.815SS**  trans-116.1141.5161.1-80.6166.1000110.1
58V35.9Very low34.4Very low133 Ų133150.7 Ų150.781%0.80681%0.809SS**  trans-72.4149.8-165.3179.80000112.7
59P33.7Very low34.8Very low122 Ų122146 Ų14679%0.79280%0.798SS**  trans-77.5143.4-177.7-5.523.4000112.8
60K30.8Very low35Very low213 Ų213145.3 Ų145.393%0.92680%0.803SS**  trans-111.5152.1162.6-88.9-171.4176.2-178.10111.2
61Q33.3Very low35.3Very low192 Ų192146.2 Ų146.290%0.89780%0.8SS**  trans-63.4151.9-155.8-70.1168-37.700116.9
62N34.8Very low35.9Very low167 Ų167140.7 Ų140.789%0.89378%0.775SS**  trans-62.4130174.2-79-18000112.4
63V33.9Very low36.3Very low138 Ų138134.1 Ų134.184%0.83676%0.757SS**  trans-118126.3157.9-1780000106.6
64S35.4Very low37Very low106 Ų106131.2 Ų131.274%0.74175%0.751SS**PPolyproline II helixtrans-62.2135.3177.1-51.10000110.2
65P35.4Very low38.2Very low115 Ų115126.5 Ų126.575%0.74773%0.725SS**PPolyproline II helixtrans-68.5143.317827.9-33000110.5
66P35.7Very low39.4Very low101 Ų101123.9 Ų123.966%0.65669%0.694SS**PPolyproline II helixtrans-67.1148.2171.527.7-31.6000110.5M68P66-M68 HydrophobicContact CG-CG 4.47Å; P66-M68 WeakPolarHBondContact O-CG 3.09Å; P66-M68 PolarHBondContact O-N 2.91Å; P66-M68 VanDerWaalsContact O-N 3.14Å
67D44.3Very low40.7Very low142 Ų142121.2 Ų121.276%0.75968%0.679SS**  trans-70105.1176.1-170.6-5.5000109.9S69D67-S69 WeakPolarHBondContact OD1-CB 3.38Å; D67-S69 PolarHBondContact OD1-N 2.82Å; D67-S69 PolarHBondContact OD1-OG 2.87Å
68M40Very low42.1Very low105 Ų105116 Ų11652%0.51766%0.661SS.*  trans-100.311.5-173.7-70-72.3-73.700112.8P66 A70P66-M68 HydrophobicContact CG-CG 4.47Å; P66-M68 WeakPolarHBondContact O-CG 3.09Å; P66-M68 PolarHBondContact O-N 2.91Å; P66-M68 VanDerWaalsContact O-N 3.14Å; M68-A70 VanDerWaalsContact C-N 3.27Å; M68-A70 PolarHBondContact O-N 3.47Å
69S40.6Very low43.8Very low80 Ų80110.5 Ų110.556%0.55963%0.627SS**THydrogen-bonded Turntrans-64.2-24.9-171.351.80000114.6D67D67-S69 WeakPolarHBondContact OD1-CB 3.38Å; D67-S69 PolarHBondContact OD1-N 2.82Å; D67-S69 PolarHBondContact OD1-OG 2.87Å
70A36.3Very low45.5Very low92 Ų92106.2 Ų106.276%0.7660%0.597SS**THydrogen-bonded Turntrans-96.7-14.3-172.200000115.7M68M68-A70 VanDerWaalsContact C-N 3.27Å; M68-A70 PolarHBondContact O-N 3.47Å
71L36.6Very low47.5Very low149 Ų14998.9 Ų98.978%0.7858%0.582SS**THydrogen-bonded Turntrans-93.6-13-174.2-76.6157.8000114.1
72S47.9Very low50Low42 Ų4290.5 Ų90.529%0.29455%0.547SS..SBendtrans-92.1-24.8-167.4-166.60000115.4K74 D76 K225S72-K74 PolarHBondContact O-N 2.85Å; S72-D76 WeakPolarHBondContact O-CB 3.38Å; S72-D76 PolarHBondContact O-N 3.37Å; S72-D76 VanDerWaalsContact O-N 3.14Å; S72-D76 PolarHBondContact OG-OD2 3.3Å; S72-K225 PolarHBondContact OG-NZ 3.14Å
73L43.8Very low52.7Low105 Ų10586.3 Ų86.355%0.5552%0.524SS..Hα-helixtrans-66.7-35.5-164.4-89.899.1000115.7Q77L73-Q77 WeakPolarHBondContact O-CG 3.27Å; L73-Q77 PolarHBondContact O-N 3.24Å; L73-Q77 VanDerWaalsContact O-N 3.07Å
74K47.4Very low55.7Low185 Ų18580.9 Ų80.980%0.80449%0.489SS*.Hα-helixtrans-74.8-37.7-176.9-74.3-172.9178-177.40112.9S72 A78S72-K74 PolarHBondContact O-N 2.85Å; K74-A78 PolarHBondContact O-N 3.4Å
75G57.2Low58.6Low26 Ų2676.4 Ų76.427%0.26846%0.456SS..Hα-helixtrans-68.5-38.2174.600000111.7A78 L79 Q224G75-A78 PolarHBondContact O-N 3.16Å; G75-L79 PolarHBondContact O-N 2.96Å; G75-Q224 PolarHBondContact O-NE2 3.33Å; G75-Q224 VanDerWaalsContact O-NE2 3.11Å
76D58.6Low61.6Low22 Ų2271 Ų7112%0.11842%0.42CS..Hα-helixtrans-64.9-45.8176.9-68.7-29.4000112.1S72 A78 L79 L80 K225S72-D76 WeakPolarHBondContact O-CB 3.38Å; S72-D76 PolarHBondContact O-N 3.37Å; S72-D76 VanDerWaalsContact O-N 3.14Å; S72-D76 PolarHBondContact OG-OD2 3.3Å; D76-A78 VanDerWaalsContact C-N 3.28Å; D76-A78 PolarHBondContact O-N 3.03Å; D76-L79 PolarHBondContact O-N 3.4Å; D76-L79 VanDerWaalsContact O-N 3.16Å; D76-L80 HydrophobicContact CB-CD1 4.34Å; D76-L80 VanDerWaalsContact O-CB 3.28Å; D76-L80 WeakPolarHBondContact O-CB 3.41Å; D76-L80 WeakPolarHBondContact O-CG 2.98Å; D76-L80 PolarHBondContact O-N 3.21Å; D76-K225 WeakPolarHBondContact OD1-CD 3.39Å; D76-K225 WeakPolarHBondContact OD1-CE 3.36Å; D76-K225 IonicContact OD1-NZ 2.8Å; D76-K225 PolarHBondContact OD1-NZ 2.86Å; D76-K225 IonicContact OD2-NZ 2.71Å; D76-K225 PolarHBondContact OD2-NZ 3.14Å
77Q59.7Low64.6Low135 Ų13566.1 Ų66.163%0.63139%0.389SS*.Hα-helixtrans-61.1-36.1178.4-78.9-179-3.400113.1L73 G81L73-Q77 WeakPolarHBondContact O-CG 3.27Å; L73-Q77 PolarHBondContact O-N 3.24Å; L73-Q77 VanDerWaalsContact O-N 3.07Å; Q77-G81 PolarHBondContact O-N 3.02Å
78A63.9Low67.2Low66 Ų6659.4 Ų59.455%0.54535%0.353SS..Hα-helixtrans-69.4-36.3176.100000112.7K74 G75 D76 G82K74-A78 PolarHBondContact O-N 3.4Å; G75-A78 PolarHBondContact O-N 3.16Å; D76-A78 VanDerWaalsContact C-N 3.28Å; D76-A78 PolarHBondContact O-N 3.03Å; A78-G82 PolarHBondContact O-N 2.93Å
79L70.1Confident70Confident17 Ų1754.4 Ų54.49%0.08933%0.329CS..Hα-helixtrans-74.3-40.9175.8-73.9175.5000112.5G75 D76 G82 I221 Q224 F283G75-L79 PolarHBondContact O-N 2.96Å; D76-L79 PolarHBondContact O-N 3.4Å; D76-L79 VanDerWaalsContact O-N 3.16Å; L79-G82 PolarHBondContact O-N 3.45Å; L79-I221 HydrophobicContact CD1-CG2 4.48Å; L79-I221 HydrophobicContact CD2-CG1 4.16Å; L79-Q224 HydrophobicContact CD1-CB 4.13Å; L79-Q224 HydrophobicContact CD1-CG 3.86Å; L79-F283 HydrophobicContact CD1-CE1 4.32Å; L79-F283 HydrophobicContact CD1-CZ 4.27Å
80L70Confident72.7Confident33 Ų3351.9 Ų51.917%0.17331%0.308CS..Hα-helixtrans-69.1-40.6-179.5-69.6170.6000111.9D76 G82 L115 Q116 F283 I285D76-L80 HydrophobicContact CB-CD1 4.34Å; D76-L80 VanDerWaalsContact O-CB 3.28Å; D76-L80 WeakPolarHBondContact O-CB 3.41Å; D76-L80 WeakPolarHBondContact O-CG 2.98Å; D76-L80 PolarHBondContact O-N 3.21Å; L80-G82 VanDerWaalsContact C-N 3.28Å; L80-L115 HydrophobicContact CD2-CD2 4.32Å; L80-Q116 VanDerWaalsContact O-CB 3.31Å; L80-Q116 WeakPolarHBondContact O-CB 3.44Å; L80-F283 HydrophobicContact CD2-CB 4.09Å; L80-F283 HydrophobicContact CD2-CD1 3.89Å; L80-F283 HydrophobicContact CD2-CG 4.25Å; L80-F283 HydrophobicContact CG-CD1 4.27Å; L80-I285 HydrophobicContact CD2-CD1 3.4Å; L80-I285 VanDerWaalsContact CD2-CD1 3.4Å; L80-I285 HydrophobicContact CD2-CG1 4.14Å
81G71.8Confident75.6Confident59 Ų5948.1 Ų48.161%0.60828%0.275SS*.SBendtrans-81.9-2.9173.900000114.4Q77Q77-G81 PolarHBondContact O-N 3.02Å
82G86.3Confident78.4Confident15 Ų1541.1 Ų41.116%0.15524%0.239CC..  trans-67.1130.1-178.500000111.9A78 L79 L80 F84 S114A78-G82 PolarHBondContact O-N 2.93Å; L79-G82 PolarHBondContact O-N 3.45Å; L80-G82 VanDerWaalsContact C-N 3.28Å; G82-F84 WeakPolarHBondContact O-CE2 3.34Å; G82-S114 WeakPolarHBondContact O-CA 3.41Å; G82-S114 VanDerWaalsContact O-CB 3.25Å; G82-S114 WeakPolarHBondContact O-CB 3.29Å
83I92.8Very high80.2Confident80 Ų8039.6 Ų39.641%0.4123%0.229SC..  trans-98.9123.6172.9-60.7174.7000108.5Y85 K112 Y113I83-Y85 HydrophobicContact CG2-CD2 4.38Å; I83-Y85 HydrophobicContact CG2-CE2 3.69Å; I83-K112 HydrophobicContact CG2-CD 4.31Å; I83-K112 HydrophobicContact CG2-CG 3.73Å; I83-Y113 WeakPolarHBondContact CA-O 2.82Å
84F95.3Very high82.4Confident23 Ų2339 Ų3910%0.10122%0.224CC..EExtended strand (participates in β ladder)trans-116.4143.3178-53.3-78.8000110.1G82 F86 Y113 Y183 L217G82-F84 WeakPolarHBondContact O-CE2 3.34Å; F84-F86 HydrophobicContact CB-CE1 4.19Å; F84-F86 HydrophobicContact CB-CZ 4.02Å; F84-Y113 HydrophobicContact CB-CD1 4.45Å; F84-Y113 HydrophobicContact CD2-CD1 4.18Å; F84-Y113 PolarHBondContact N-O 3.19Å; F84-Y113 PolarHBondContact O-N 3.12Å; F84-Y183 AromaticContact CD1-CE2 3.94Å; F84-Y183 HydrophobicContact CD1-CE2 3.94Å; F84-L217 HydrophobicContact CD1-CD1 3.8Å; F84-L217 HydrophobicContact CD1-CD2 3.79Å; F84-L217 HydrophobicContact CD1-CG 4.46Å; F84-L217 HydrophobicContact CE1-CD1 3.43Å; F84-L217 VanDerWaalsContact CE1-CD1 3.43Å; F84-L217 HydrophobicContact CE1-CD2 4.25Å; F84-L217 HydrophobicContact CE1-CG 4.47Å; F84-L217 HydrophobicContact CG-CD2 4.15Å; F84-L217 HydrophobicContact CZ-CD1 4.15Å
85Y97.6Very high84.4Confident13 Ų1330.2 Ų30.25%0.05119%0.186CC..EExtended strand (participates in β ladder)trans-114.7110.1176.3-66.5-86.8000109.6I83 V111 K112 F171 I172 P180 Y183I83-Y85 HydrophobicContact CG2-CD2 4.38Å; I83-Y85 HydrophobicContact CG2-CE2 3.69Å; Y85-V111 WeakPolarHBondContact CA-O 3.24Å; Y85-K112 HydrophobicContact CD1-CB 4.1Å; Y85-K112 HydrophobicContact CD1-CG 4.33Å; Y85-K112 HydrophobicContact CE1-CB 3.78Å; Y85-K112 HydrophobicContact CE1-CD 4.07Å; Y85-K112 HydrophobicContact CE1-CG 3.68Å; Y85-F171 HydrophobicContact CD1-CE1 4.11Å; Y85-F171 HydrophobicContact CE1-CE1 4.26Å; Y85-I172 HydrophobicContact CD1-CB 4.25Å; Y85-I172 HydrophobicContact CD1-CG2 3.81Å; Y85-I172 HydrophobicContact CE1-CB 4.2Å; Y85-I172 HydrophobicContact CE1-CG2 4.17Å; Y85-I172 HydrophobicContact CG-CG2 4.21Å; Y85-I172 PolarHBondContact OH-O 3.26Å; Y85-P180 HydrophobicContact CD2-CB 3.8Å; Y85-P180 HydrophobicContact CD2-CG 3.67Å; Y85-P180 HydrophobicContact CE2-CB 3.68Å; Y85-P180 HydrophobicContact CE2-CG 3.4Å; Y85-P180 VanDerWaalsContact CE2-CG 3.4Å; Y85-Y183 PolarHBondContact O-N 3.41Å
86F98.3Very high85.9Confident0 Ų030.9 Ų30.90%019%0.185CC..EExtended strand (participates in β ladder)trans-91.8124.8173.9-51.9-55000109.5F84 C110 V111 Y113 Y183 V214 L217 C268 I271 A272 I275F84-F86 HydrophobicContact CB-CE1 4.19Å; F84-F86 HydrophobicContact CB-CZ 4.02Å; F86-C110 CarbonylContact O-C 3.39Å; F86-C110 WeakPolarHBondContact O-CA 3.43Å; F86-C110 PolarHBondContact O-SG 3.41Å; F86-V111 HydrophobicContact CB-CG2 3.81Å; F86-V111 HydrophobicContact CD2-CG2 3.74Å; F86-V111 HydrophobicContact CG-CG2 4.24Å; F86-V111 PolarHBondContact N-O 3.02Å; F86-V111 PolarHBondContact O-N 3.2Å; F86-Y113 HydrophobicContact CD2-CG 4.41Å; F86-Y113 AromaticContact CE2-CD1 3.52Å; F86-Y113 HydrophobicContact CE2-CD1 3.52Å; F86-Y113 HydrophobicContact CE2-CD2 4.42Å; F86-Y113 HydrophobicContact CE2-CE1 4.24Å; F86-Y113 AromaticContact CE2-CG 3.63Å; F86-Y113 HydrophobicContact CE2-CG 3.63Å; F86-Y113 AromaticContact CZ-CD1 3.85Å; F86-Y113 HydrophobicContact CZ-CD1 3.85Å; F86-Y113 HydrophobicContact CZ-CE1 4.42Å; F86-Y113 HydrophobicContact CZ-CG 4.4Å; F86-Y183 CarbonylContact C-O 3.56Å; F86-Y183 WeakPolarHBondContact CA-O 3.34Å; F86-V214 HydrophobicContact CD1-CG2 3.98Å; F86-V214 HydrophobicContact CE1-CG2 4.34Å; F86-L217 HydrophobicContact CE1-CD2 3.72Å; F86-L217 HydrophobicContact CZ-CD2 4.14Å; F86-C268 HydrophobicContact CB-CB 4.47Å; F86-C268 PolarHBondContact O-SG 3.47Å; F86-C268 VanDerWaalsContact O-SG 3.33Å; F86-I271 HydrophobicContact CB-CD1 4.48Å; F86-I271 HydrophobicContact CB-CG2 4.34Å; F86-I271 HydrophobicContact CD1-CG2 3.75Å; F86-I271 HydrophobicContact CD2-CB 4.35Å; F86-I271 HydrophobicContact CD2-CG2 3.76Å; F86-I271 HydrophobicContact CE1-CG2 4Å; F86-I271 HydrophobicContact CE2-CG2 3.96Å; F86-I271 HydrophobicContact CG-CB 4.34Å; F86-I271 HydrophobicContact CG-CG2 3.68Å; F86-I271 HydrophobicContact CZ-CG2 4.1Å; F86-A272 HydrophobicContact CD2-CB 4.13Å; F86-A272 HydrophobicContact CE2-CB 4.1Å; F86-I275 HydrophobicContact CE1-CD1 4.04Å; F86-I275 HydrophobicContact CE2-CD1 4.02Å; F86-I275 HydrophobicContact CZ-CD1 3.46Å; F86-I275 VanDerWaalsContact CZ-CD1 3.46Å
87L98.6Very high87.1Confident0 Ų035 Ų350%021%0.213CC..EExtended strand (participates in β ladder)trans-122.4137.2-175.8-173.978.7000110.3I108 G109 C110 L168 I182 Y183 C184 V192 L196 C268L87-I108 HydrophobicContact CD1-CD1 3.98Å; L87-I108 HydrophobicContact CD1-CG1 3.88Å; L87-G109 WeakPolarHBondContact CA-O 3.44Å; L87-G109 WeakPolarHBondContact CD1-O 3.43Å; L87-C110 HydrophobicContact CD1-CB 3.63Å; L87-L168 HydrophobicContact CD1-CD1 3.84Å; L87-L168 HydrophobicContact CD1-CD2 4.22Å; L87-I182 HydrophobicContact CD2-CD1 3.67Å; L87-Y183 PolarHBondContact N-O 3.5Å; L87-C184 WeakPolarHBondContact O-CB 3.07Å; L87-V192 HydrophobicContact CD2-CG1 3.85Å; L87-L196 HydrophobicContact CD2-CD1 3.84Å; L87-L196 HydrophobicContact CD2-CD2 4.04Å; L87-L196 HydrophobicContact CD2-CG 4.28Å; L87-C268 VanDerWaalsContact C-SG 3.54Å
88N98.4Very high88.2Confident1 Ų136.2 Ų36.21%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-137.6150.9163.6-167.131.4000110.1I108 G109 R191 V267 C268N88-I108 WeakPolarHBondContact O-CA 3.38Å; N88-G109 PolarHBondContact N-O 3.16Å; N88-G109 PolarHBondContact O-N 3.43Å; N88-G109 VanDerWaalsContact O-O 3.1Å; N88-R191 PolarHBondContact OD1-NH2 2.9Å; N88-V267 HydrophobicContact CB-CB 4.18Å; N88-V267 HydrophobicContact CB-CG1 4.06Å; N88-C268 PolarHBondContact N-SG 2.86Å
89I98.4Very high89.1Confident0 Ų034.1 Ų34.10%020%0.2CC..EExtended strand (participates in β ladder)trans-118.9156.8172.1-66.1173.5000106.1P105 E107 I108 R191 V192 C195 L196I89-P105 HydrophobicContact CG2-CB 4.03Å; I89-E107 CarbonylContact C-O 3.53Å; I89-E107 VanDerWaalsContact CA-O 3.22Å; I89-E107 WeakPolarHBondContact CA-O 3.42Å; I89-E107 WeakPolarHBondContact CG2-O 3.41Å; I89-I108 HydrophobicContact CD1-CD1 4Å; I89-I108 HydrophobicContact CD1-CG1 4.49Å; I89-I108 HydrophobicContact CG1-CB 4.18Å; I89-I108 HydrophobicContact CG1-CD1 3.84Å; I89-I108 HydrophobicContact CG1-CG1 3.77Å; I89-R191 PolarHBondContact O-NH1 3.47Å; I89-R191 PolarHBondContact O-NH2 3.27Å; I89-V192 HydrophobicContact CB-CG2 4.39Å; I89-V192 HydrophobicContact CD1-CG1 4.36Å; I89-C195 HydrophobicContact CD1-CB 3.62Å; I89-C195 HydrophobicContact CG2-CB 3.88Å; I89-L196 HydrophobicContact CD1-CD2 4.19Å; I89-L196 HydrophobicContact CD1-CG 4.1Å
90F97.9Very high89.7Confident27 Ų2742.1 Ų42.112%0.11824%0.237CC..EExtended strand (participates in β ladder)trans-119.6157.6158.1-81.2-29.1000109.6P105 C106 E107 H148 F262 A264 V267F90-P105 CarbonylContact O-C 3.43Å; F90-P105 WeakPolarHBondContact O-CA 3.49Å; F90-C106 PolarHBondContact O-N 3.33Å; F90-C106 PolarHBondContact O-SG 3.41Å; F90-C106 VanDerWaalsContact O-SG 3.41Å; F90-E107 HydrophobicContact CB-CB 4.29Å; F90-E107 PolarHBondContact N-O 3.46Å; F90-E107 PolarHBondContact O-N 3.15Å; F90-H148 HydrophobicContact CD2-CB 3.96Å; F90-H148 HydrophobicContact CE2-CB 4.5Å; F90-F262 VanDerWaalsContact CE2-C 3.5Å; F90-F262 HydrophobicContact CE2-CB 3.95Å; F90-F262 HydrophobicContact CZ-CB 4.4Å; F90-A264 HydrophobicContact CD2-CB 4.36Å; F90-V267 HydrophobicContact CZ-CG2 4.06Å
91S96.8Very high90.4Very high12 Ų1243.3 Ų43.38%0.08424%0.241CC..EExtended strand (participates in β ladder)trans-127.9155.2173.763.30000110.1G93 L104 C106 H148 R191S91-G93 PolarHBondContact O-N 2.94Å; S91-G93 PolarHBondContact OG-O 2.84Å; S91-L104 CarbonylContact C-O 3.52Å; S91-L104 WeakPolarHBondContact CA-O 3.41Å; S91-L104 WeakPolarHBondContact CB-O 3.44Å; S91-C106 VanDerWaalsContact C-SG 3.59Å; S91-H148 PolarHBondContact O-NE2 3.29Å; S91-H148 VanDerWaalsContact O-NE2 3.11Å; S91-R191 WeakPolarHBondContact OG-CD 3.41Å
92H94.9Very high91.3Very high3 Ų343.4 Ų43.41%0.01422%0.223CC..EExtended strand (participates in β ladder)trans-65.115.8169.7-69.6-57.1000113.4L104 C106 C140 H148 I150 I152H92-L104 HydrophobicContact CB-CB 4.27Å; H92-L104 PolarHBondContact N-O 3.43Å; H92-C106 WeakPolarHBondContact NE2-CB 3.33Å; H92-C140 HydrophobicContact CB-CB 4.1Å; H92-C140 WeakPolarHBondContact O-CA 3.2Å; H92-C140 WeakPolarHBondContact O-CB 3.46Å; H92-H148 AromaticContact CE1-CE1 3.89Å; H92-H148 AromaticContact ND1-CE1 3.3Å; H92-H148 PolarHBondContact ND1-CE1 3.06Å; H92-H148 VanDerWaalsContact ND1-CE1 3.3Å; H92-H148 AromaticContact ND1-NE2 3.77Å; H92-I150 PolarHBondContact CE1-O 3.1Å; H92-I150 VanDerWaalsContact CE1-O 3.25Å; H92-I152 HydrophobicContact CB-CG2 4.45Å
93G85.9Confident91.7Very high9 Ų943 Ų439%0.09322%0.217CC..EExtended strand (participates in β ladder)trans135172-179.200000112.9S91S91-G93 PolarHBondContact O-N 2.94Å; S91-G93 PolarHBondContact OG-O 2.84Å
94E90.3Very high91.9Very high94 Ų9439.3 Ų39.344%0.43920%0.198SC..EExtended strand (participates in β ladder)trans-110.4107.6173.1-178.5166.6-154.300108R102 F103 H139E94-R102 IonicContact OE1-CZ 3.16Å; E94-R102 IonicContact OE1-NE 3.17Å; E94-R102 PolarHBondContact OE1-NE 3.35Å; E94-R102 VanDerWaalsContact OE1-NE 3.17Å; E94-R102 IonicContact OE1-NH2 2.6Å; E94-R102 PolarHBondContact OE1-NH2 2.94Å; E94-F103 HydrophobicContact CB-CD1 4.04Å; E94-F103 HydrophobicContact CB-CE1 3.68Å; E94-F103 HydrophobicContact CG-CD1 4.14Å; E94-F103 HydrophobicContact CG-CE1 3.46Å; E94-F103 VanDerWaalsContact CG-CE1 3.46Å; E94-F103 HydrophobicContact CG-CZ 3.99Å; E94-F103 WeakPolarHBondContact OE1-CZ 3.43Å; E94-H139 PolarHBondContact O-NE2 2.93Å
95L90.3Very high91.9Very high0 Ų038.2 Ų38.20%019%0.194CC..  trans-79160179.3-55.7-163.5000110.1C99 Q101 R102 L104 P133 F136L95-C99 HydrophobicContact CB-CB 3.99Å; L95-Q101 WeakPolarHBondContact CD1-O 3.3Å; L95-Q101 WeakPolarHBondContact CG-O 3.38Å; L95-R102 PolarHBondContact N-O 2.95Å; L95-R102 WeakPolarHBondContact O-CD 3.2Å; L95-R102 VanDerWaalsContact O-CZ 3.29Å; L95-R102 PolarHBondContact O-NE 2.84Å; L95-R102 PolarHBondContact O-NH1 3.2Å; L95-L104 HydrophobicContact CD1-CD1 4.27Å; L95-P133 HydrophobicContact CD1-CB 4.37Å; L95-P133 HydrophobicContact CD1-CG 3.68Å; L95-F136 HydrophobicContact CD1-CB 4.36Å; L95-F136 HydrophobicContact CD1-CG 4.24Å; L95-F136 HydrophobicContact CD2-CB 3.95Å; L95-F136 HydrophobicContact CD2-CD1 3.89Å; L95-F136 HydrophobicContact CD2-CG 4.04Å
96P88Confident91.9Very high40 Ų4037.6 Ų37.626%0.2619%0.191SC..  trans-53.7154.4-179.2-28.336.5000114.6H98 C99 F136P96-H98 WeakPolarHBondContact CB-CE1 3.49Å; P96-H98 PolarHBondContact O-N 2.83Å; P96-H98 VanDerWaalsContact O-N 3.09Å; P96-C99 VanDerWaalsContact O-CB 3.26Å; P96-C99 WeakPolarHBondContact O-CB 3.28Å; P96-C99 PolarHBondContact O-N 3.42Å; P96-F136 HydrophobicContact CG-CE1 3.66Å; P96-F136 HydrophobicContact CG-CZ 4Å
97P84.1Confident92Very high108 Ų10837.6 Ų37.670%0.70119%0.191SC*.THydrogen-bonded Turntrans-62.1-24.8-171.3-23.633.4000114.8C99P97-C99 VanDerWaalsContact C-N 3.3Å
98H83.2Confident92Very high160 Ų16037.6 Ų37.674%0.74119%0.191SC*.THydrogen-bonded Turntrans-82.4-5.5177.653.9-95.4000113.2P96P96-H98 WeakPolarHBondContact CB-CE1 3.49Å; P96-H98 PolarHBondContact O-N 2.83Å; P96-H98 VanDerWaalsContact O-N 3.09Å
99C82.4Confident92Very high22 Ų2237.6 Ų37.615%0.14919%0.191CC..SBendtrans-80128.5173.7-168.70000109.7L95 P96 P97 Q101 R102L95-C99 HydrophobicContact CB-CB 3.99Å; P96-C99 VanDerWaalsContact O-CB 3.26Å; P96-C99 WeakPolarHBondContact O-CB 3.28Å; P96-C99 PolarHBondContact O-N 3.42Å; P97-C99 VanDerWaalsContact C-N 3.3Å; C99-Q101 PolarHBondContact O-N 3.49Å; C99-Q101 VanDerWaalsContact O-N 3.15Å; C99-R102 PolarHBondContact O-N 3.22Å
100E81.6Confident92Very high186 Ų18637.6 Ų37.687%0.86919%0.191SC*.SBendtrans-57.4-29.4175.9-65.2-171.916400112.5W194E100-W194 WeakPolarHBondContact O-CZ2 3.44Å
101Q85.6Confident92Very high58 Ų5836.3 Ų36.327%0.27119%0.185SC..  trans-100.665.2176.6-62.2178.86.100110.7L95 C99 F103 L104 E131 P133L95-Q101 WeakPolarHBondContact CD1-O 3.3Å; L95-Q101 WeakPolarHBondContact CG-O 3.38Å; C99-Q101 PolarHBondContact O-N 3.49Å; C99-Q101 VanDerWaalsContact O-N 3.15Å; Q101-F103 PolarHBondContact O-N 2.93Å; Q101-F103 VanDerWaalsContact O-N 3.16Å; Q101-L104 HydrophobicContact CB-CD2 4.25Å; Q101-E131 PolarHBondContact OE1-O 3.32Å; Q101-E131 VanDerWaalsContact OE1-O 3.07Å; Q101-P133 HydrophobicContact CB-CG 4.11Å; Q101-P133 HydrophobicContact CG-CG 4.44Å
102R91.2Very high92Very high60 Ų6038 Ų3823%0.22619%0.191CC..SBendtrans-52.3-37.9-179.2177.354.8175.6-168.5-2.7112.8E94 L95 C99 W194E94-R102 IonicContact OE1-CZ 3.16Å; E94-R102 IonicContact OE1-NE 3.17Å; E94-R102 PolarHBondContact OE1-NE 3.35Å; E94-R102 VanDerWaalsContact OE1-NE 3.17Å; E94-R102 IonicContact OE1-NH2 2.6Å; E94-R102 PolarHBondContact OE1-NH2 2.94Å; L95-R102 PolarHBondContact N-O 2.95Å; L95-R102 WeakPolarHBondContact O-CD 3.2Å; L95-R102 VanDerWaalsContact O-CZ 3.29Å; L95-R102 PolarHBondContact O-NE 2.84Å; L95-R102 PolarHBondContact O-NH1 3.2Å; C99-R102 PolarHBondContact O-N 3.22Å; R102-W194 HydrophobicContact CB-CD2 4.36Å; R102-W194 HydrophobicContact CB-CZ2 4.08Å
103F95.1Very high92.1Very high6 Ų637.9 Ų37.93%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-130.2150173.3-56.7-80.6000110.8E94 Q101 T190 R191 W194E94-F103 HydrophobicContact CB-CD1 4.04Å; E94-F103 HydrophobicContact CB-CE1 3.68Å; E94-F103 HydrophobicContact CG-CD1 4.14Å; E94-F103 HydrophobicContact CG-CE1 3.46Å; E94-F103 VanDerWaalsContact CG-CE1 3.46Å; E94-F103 HydrophobicContact CG-CZ 3.99Å; E94-F103 WeakPolarHBondContact OE1-CZ 3.43Å; Q101-F103 PolarHBondContact O-N 2.93Å; Q101-F103 VanDerWaalsContact O-N 3.16Å; F103-T190 HydrophobicContact CE2-CG2 4.32Å; F103-T190 HydrophobicContact CZ-CG2 4.28Å; F103-R191 HydrophobicContact CB-CG 4.43Å; F103-R191 HydrophobicContact CD1-CB 4.11Å; F103-R191 HydrophobicContact CD1-CG 3.56Å; F103-R191 HydrophobicContact CD2-CB 4.48Å; F103-R191 HydrophobicContact CD2-CG 4.32Å; F103-R191 HydrophobicContact CE1-CB 3.77Å; F103-R191 HydrophobicContact CE1-CG 3.74Å; F103-R191 HydrophobicContact CE2-CB 4.19Å; F103-R191 HydrophobicContact CE2-CG 4.49Å; F103-R191 HydrophobicContact CG-CB 4.44Å; F103-R191 HydrophobicContact CG-CG 3.86Å; F103-R191 HydrophobicContact CZ-CB 3.83Å; F103-R191 HydrophobicContact CZ-CG 4.22Å; F103-W194 HydrophobicContact CB-CD2 4.42Å; F103-W194 HydrophobicContact CB-CE3 3.72Å; F103-W194 HydrophobicContact CB-CZ3 3.94Å; F103-W194 HydrophobicContact CD2-CB 3.67Å; F103-W194 AromaticContact CD2-CD2 3.72Å; F103-W194 HydrophobicContact CD2-CD2 3.72Å; F103-W194 AromaticContact CD2-CE3 3.82Å; F103-W194 HydrophobicContact CD2-CE3 3.82Å; F103-W194 AromaticContact CD2-CG 3.65Å; F103-W194 HydrophobicContact CD2-CG 3.65Å; F103-W194 HydrophobicContact CE2-CB 3.87Å; F103-W194 HydrophobicContact CE2-CG 4.1Å; F103-W194 HydrophobicContact CG-CE3 4.28Å; F103-W194 WeakPolarHBondContact O-CH2 3.33Å; F103-W194 WeakPolarHBondContact O-CZ3 3.4Å
104L95.1Very high92.5Very high3 Ų337.7 Ų37.72%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-115.689.6176.8-71.6172.4000109.6S91 H92 L95 Q101 C106 P129 I132S91-L104 CarbonylContact C-O 3.52Å; S91-L104 WeakPolarHBondContact CA-O 3.41Å; S91-L104 WeakPolarHBondContact CB-O 3.44Å; H92-L104 HydrophobicContact CB-CB 4.27Å; H92-L104 PolarHBondContact N-O 3.43Å; L95-L104 HydrophobicContact CD1-CD1 4.27Å; Q101-L104 HydrophobicContact CB-CD2 4.25Å; L104-C106 PolarHBondContact O-N 2.97Å; L104-P129 HydrophobicContact CB-CB 4.02Å; L104-P129 HydrophobicContact CD2-CB 4.46Å; L104-I132 HydrophobicContact CD1-CB 4.45Å; L104-I132 HydrophobicContact CD1-CG1 4.17Å; L104-I132 HydrophobicContact CD1-CG2 4.17Å
105P96.8Very high92.6Very high1 Ų133.5 Ų33.51%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-62.2132.2-172.226.1-33.9000111.5I89 F90 I127 P129 C195 M199I89-P105 HydrophobicContact CG2-CB 4.03Å; F90-P105 CarbonylContact O-C 3.43Å; F90-P105 WeakPolarHBondContact O-CA 3.49Å; P105-I127 HydrophobicContact CB-CD1 3.97Å; P105-I127 HydrophobicContact CB-CG2 4.2Å; P105-I127 HydrophobicContact CG-CG2 4.2Å; P105-I127 WeakPolarHBondContact O-CG2 3.42Å; P105-P129 WeakPolarHBondContact O-CA 3.39Å; P105-P129 WeakPolarHBondContact O-CB 3.17Å; P105-C195 HydrophobicContact CB-CB 4.31Å; P105-M199 HydrophobicContact CG-CG 4.48Å
106C97.9Very high92.8Very high0 Ų037.3 Ų37.30%019%0.187CC..EExtended strand (participates in β ladder)trans-125.1-18.7-176.863.60000113.6F90 S91 H92 L104 I127 H148 I150F90-C106 PolarHBondContact O-N 3.33Å; F90-C106 PolarHBondContact O-SG 3.41Å; F90-C106 VanDerWaalsContact O-SG 3.41Å; S91-C106 VanDerWaalsContact C-SG 3.59Å; H92-C106 WeakPolarHBondContact NE2-CB 3.33Å; L104-C106 PolarHBondContact O-N 2.97Å; C106-I127 PolarHBondContact O-N 3.09Å; C106-H148 PolarHBondContact SG-NE2 3.48Å; C106-I150 HydrophobicContact CB-CD1 4.25Å
107E98.8Very high93.1Very high0 Ų040.8 Ų40.80%020%0.199CC..EExtended strand (participates in β ladder)trans-154147.2-179.6-163.9-173.7-168.900110.3I89 F90 H124 S125 F126 I150 H255 C263 A264I89-E107 CarbonylContact C-O 3.53Å; I89-E107 VanDerWaalsContact CA-O 3.22Å; I89-E107 WeakPolarHBondContact CA-O 3.42Å; I89-E107 WeakPolarHBondContact CG2-O 3.41Å; F90-E107 HydrophobicContact CB-CB 4.29Å; F90-E107 PolarHBondContact N-O 3.46Å; F90-E107 PolarHBondContact O-N 3.15Å; E107-H124 IonicContact OE1-CD2 3.11Å; E107-H124 IonicContact OE1-CE1 3.15Å; E107-H124 IonicContact OE1-NE2 2.64Å; E107-H124 PolarHBondContact OE1-NE2 3.11Å; E107-S125 CarbonylContact C-O 3.5Å; E107-S125 WeakPolarHBondContact CA-O 3.46Å; E107-F126 HydrophobicContact CB-CD1 4.37Å; E107-F126 HydrophobicContact CG-CD1 4.03Å; E107-F126 HydrophobicContact CG-CE1 4.12Å; E107-I150 HydrophobicContact CB-CD1 3.78Å; E107-I150 HydrophobicContact CG-CD1 4.36Å; E107-H255 VanDerWaalsContact CD-CE1 3.43Å; E107-H255 IonicContact OE1-CE1 3.74Å; E107-H255 PolarHBondContact OE1-CE1 3.36Å; E107-H255 IonicContact OE1-ND1 3.81Å; E107-H255 PolarHBondContact OE1-ND1 3.27Å; E107-H255 IonicContact OE2-CE1 3.14Å; E107-H255 PolarHBondContact OE2-CE1 2.93Å; E107-H255 IonicContact OE2-NE2 3.33Å; E107-C263 PolarHBondContact OE1-SG 3.46Å; E107-A264 HydrophobicContact CB-CB 4.17Å; E107-A264 VanDerWaalsContact CD-N 3.32Å; E107-A264 HydrophobicContact CG-CB 3.82Å; E107-A264 PolarHBondContact OE1-N 2.84Å; E107-A264 PolarHBondContact OE2-N 2.93Å
108I98.8Very high93.6Very high0 Ų035.6 Ų35.60%017%0.166CC..EExtended strand (participates in β ladder)trans-134.2140.6170-172.2163.5000109.9L87 N88 I89 F123 H124 S125 I127 V164 L168L87-I108 HydrophobicContact CD1-CD1 3.98Å; L87-I108 HydrophobicContact CD1-CG1 3.88Å; N88-I108 WeakPolarHBondContact O-CA 3.38Å; I89-I108 HydrophobicContact CD1-CD1 4Å; I89-I108 HydrophobicContact CD1-CG1 4.49Å; I89-I108 HydrophobicContact CG1-CB 4.18Å; I89-I108 HydrophobicContact CG1-CD1 3.84Å; I89-I108 HydrophobicContact CG1-CG1 3.77Å; I108-F123 HydrophobicContact CD1-CE1 4.39Å; I108-F123 HydrophobicContact CG1-CE1 4.3Å; I108-F123 HydrophobicContact CG2-CE1 3.75Å; I108-F123 HydrophobicContact CG2-CZ 4.24Å; I108-H124 WeakPolarHBondContact O-CA 3.18Å; I108-H124 PolarHBondContact O-CD2 3.42Å; I108-S125 WeakPolarHBondContact CG2-O 3.48Å; I108-S125 PolarHBondContact N-O 3.02Å; I108-S125 PolarHBondContact O-N 3.37Å; I108-I127 HydrophobicContact CB-CD1 3.91Å; I108-I127 HydrophobicContact CG2-CD1 3.99Å; I108-I127 HydrophobicContact CG2-CG1 4.26Å; I108-V164 HydrophobicContact CG2-CG1 3.45Å; I108-V164 VanDerWaalsContact CG2-CG1 3.45Å; I108-L168 HydrophobicContact CD1-CD2 3.92Å
109G98.6Very high94.2Very high0 Ų029.2 Ų29.20%014%0.137CC..EExtended strand (participates in β ladder)trans-132.1139.5171.400000109.5L87 N88 F123 C268L87-G109 WeakPolarHBondContact CA-O 3.44Å; L87-G109 WeakPolarHBondContact CD1-O 3.43Å; N88-G109 PolarHBondContact N-O 3.16Å; N88-G109 PolarHBondContact O-N 3.43Å; N88-G109 VanDerWaalsContact O-O 3.1Å; G109-F123 CarbonylContact C-O 3.27Å; G109-F123 WeakPolarHBondContact CA-O 3.35Å; G109-C268 VanDerWaalsContact C-SG 3.59Å; G109-C268 PolarHBondContact O-SG 2.89Å
110C98.6Very high94.9Very high0 Ų032.3 Ų32.30%015%0.15CC..EExtended strand (participates in β ladder)trans-138.8140171.8-164.10000109.7F86 L87 D122 F123 L168 F171F86-C110 CarbonylContact O-C 3.39Å; F86-C110 WeakPolarHBondContact O-CA 3.43Å; F86-C110 PolarHBondContact O-SG 3.41Å; L87-C110 HydrophobicContact CD1-CB 3.63Å; C110-D122 CarbonylContact O-C 3.53Å; C110-D122 WeakPolarHBondContact O-CA 3.4Å; C110-F123 HydrophobicContact CB-CB 4.22Å; C110-F123 HydrophobicContact CB-CD1 4.02Å; C110-F123 PolarHBondContact N-O 2.76Å; C110-F123 PolarHBondContact O-N 3.07Å; C110-L168 HydrophobicContact CB-CD1 3.93Å; C110-F171 HydrophobicContact CB-CD1 4.23Å; C110-F171 HydrophobicContact CB-CE1 3.97Å
111V98.2Very high95.6Very high0 Ų025.3 Ų25.30%012%0.124CC..EExtended strand (participates in β ladder)trans-122.9138.5170.7-58.80000109.7Y85 F86 I119 A121 D122 L265 C268 K269Y85-V111 WeakPolarHBondContact CA-O 3.24Å; F86-V111 HydrophobicContact CB-CG2 3.81Å; F86-V111 HydrophobicContact CD2-CG2 3.74Å; F86-V111 HydrophobicContact CG-CG2 4.24Å; F86-V111 PolarHBondContact N-O 3.02Å; F86-V111 PolarHBondContact O-N 3.2Å; V111-I119 HydrophobicContact CB-CG2 4.38Å; V111-A121 WeakPolarHBondContact CA-O 3.3Å; V111-D122 HydrophobicContact CG1-CB 3.94Å; V111-L265 HydrophobicContact CG1-CD1 4Å; V111-C268 HydrophobicContact CB-CB 4.4Å; V111-C268 HydrophobicContact CG1-CB 3.77Å; V111-C268 HydrophobicContact CG2-CB 3.95Å; V111-K269 HydrophobicContact CG1-CG 3.8Å
112K97.6Very high96.1Very high47 Ų4726 Ų2620%0.20413%0.129CC..EExtended strand (participates in β ladder)trans-91.4121.6168.3-177.8-178.4-179.5-179.30107.5I83 Y85 M120 A121 F171I83-K112 HydrophobicContact CG2-CD 4.31Å; I83-K112 HydrophobicContact CG2-CG 3.73Å; Y85-K112 HydrophobicContact CD1-CB 4.1Å; Y85-K112 HydrophobicContact CD1-CG 4.33Å; Y85-K112 HydrophobicContact CE1-CB 3.78Å; Y85-K112 HydrophobicContact CE1-CD 4.07Å; Y85-K112 HydrophobicContact CE1-CG 3.68Å; K112-M120 HydrophobicContact CD-CB 4.42Å; K112-M120 HydrophobicContact CG-CB 4.32Å; K112-M120 HydrophobicContact CG-SD 4.34Å; K112-M120 PolarHBondContact O-N 3.14Å; K112-A121 HydrophobicContact CB-CB 4.23Å; K112-A121 PolarHBondContact N-O 3.45Å; K112-A121 PolarHBondContact O-N 3.46Å; K112-F171 HydrophobicContact CB-CE1 4.34Å; K112-F171 HydrophobicContact CB-CZ 3.92Å
113Y96.5Very high96.5Very high2 Ų224.3 Ų24.31%0.00812%0.124CC..EExtended strand (participates in β ladder)trans-132.7144-170174.1-98.2000111.2I83 F84 F86 L115 G118 I119 A272 I275 S276I83-Y113 WeakPolarHBondContact CA-O 2.82Å; F84-Y113 HydrophobicContact CB-CD1 4.45Å; F84-Y113 HydrophobicContact CD2-CD1 4.18Å; F84-Y113 PolarHBondContact N-O 3.19Å; F84-Y113 PolarHBondContact O-N 3.12Å; F86-Y113 HydrophobicContact CD2-CG 4.41Å; F86-Y113 AromaticContact CE2-CD1 3.52Å; F86-Y113 HydrophobicContact CE2-CD1 3.52Å; F86-Y113 HydrophobicContact CE2-CD2 4.42Å; F86-Y113 HydrophobicContact CE2-CE1 4.24Å; F86-Y113 AromaticContact CE2-CG 3.63Å; F86-Y113 HydrophobicContact CE2-CG 3.63Å; F86-Y113 AromaticContact CZ-CD1 3.85Å; F86-Y113 HydrophobicContact CZ-CD1 3.85Å; F86-Y113 HydrophobicContact CZ-CE1 4.42Å; F86-Y113 HydrophobicContact CZ-CG 4.4Å; Y113-L115 WeakPolarHBondContact OH-CD1 3.34Å; Y113-G118 WeakPolarHBondContact CA-O 3.43Å; Y113-G118 VanDerWaalsContact CD2-O 3.29Å; Y113-G118 WeakPolarHBondContact CD2-O 3.45Å; Y113-I119 HydrophobicContact CD2-CG1 4.32Å; Y113-A272 HydrophobicContact CD2-CB 3.47Å; Y113-A272 VanDerWaalsContact CD2-CB 3.47Å; Y113-A272 HydrophobicContact CE2-CB 3.78Å; Y113-A272 HydrophobicContact CG-CB 4.1Å; Y113-I275 HydrophobicContact CE1-CG2 3.94Å; Y113-I275 WeakPolarHBondContact OH-CG2 3.35Å; Y113-S276 WeakPolarHBondContact CE2-OG 3.21Å; Y113-S276 PolarHBondContact OH-N 3.08Å; Y113-S276 PolarHBondContact OH-OG 2.6Å
114S95Very high96.6Very high5 Ų526.5 Ų26.54%0.03513%0.134CC..EExtended strand (participates in β ladder)trans-131155.5159.475.10000109.3G82 Q116 E117 G118G82-S114 WeakPolarHBondContact O-CA 3.41Å; G82-S114 VanDerWaalsContact O-CB 3.25Å; G82-S114 WeakPolarHBondContact O-CB 3.29Å; S114-Q116 PolarHBondContact O-N 3.01Å; S114-E117 WeakPolarHBondContact OG-CB 3.41Å; S114-E117 PolarHBondContact OG-N 3.36Å; S114-G118 PolarHBondContact N-O 2.64Å; S114-G118 VanDerWaalsContact O-CA 3.28Å; S114-G118 WeakPolarHBondContact O-CA 3.5Å; S114-G118 PolarHBondContact O-N 2.89Å
115L92.3Very high96.8Very high5 Ų526.8 Ų26.83%0.02614%0.137CC..THydrogen-bonded Turntrans-67.1-27177.3-172.560.3000111.9L80 Y113 I275 L279 A280 F283 I285 H291L80-L115 HydrophobicContact CD2-CD2 4.32Å; Y113-L115 WeakPolarHBondContact OH-CD1 3.34Å; L115-I275 HydrophobicContact CD1-CG2 4.42Å; L115-L279 HydrophobicContact CD1-CB 4.08Å; L115-A280 HydrophobicContact CD1-CB 4.27Å; L115-F283 HydrophobicContact CD2-CB 4.47Å; L115-F283 HydrophobicContact CD2-CD1 4.22Å; L115-F283 HydrophobicContact CD2-CD2 3.59Å; L115-F283 HydrophobicContact CD2-CE1 4.32Å; L115-F283 HydrophobicContact CD2-CE2 3.71Å; L115-F283 HydrophobicContact CD2-CG 3.85Å; L115-F283 HydrophobicContact CD2-CZ 4.07Å; L115-I285 HydrophobicContact CB-CD1 4.48Å; L115-I285 HydrophobicContact CD2-CD1 4.32Å; L115-I285 HydrophobicContact CG-CD1 3.73Å; L115-I285 WeakPolarHBondContact O-CD1 3.42Å; L115-H291 PolarHBondContact O-NE2 3.11Å
116Q93.1Very high96.9Very high81 Ų8127.4 Ų27.438%0.37914%0.139SC..THydrogen-bonded Turntrans-79.4-39.9-178.4-178.461.653.300113.8L80 S114 H291L80-Q116 VanDerWaalsContact O-CB 3.31Å; L80-Q116 WeakPolarHBondContact O-CB 3.44Å; S114-Q116 PolarHBondContact O-N 3.01Å; Q116-H291 PolarHBondContact O-CE1 3.13Å; Q116-H291 VanDerWaalsContact O-CE1 3.25Å; Q116-H291 PolarHBondContact O-NE2 2.97Å
117E94.3Very high96.9Very high112 Ų11227.6 Ų27.652%0.52314%0.14SC..THydrogen-bonded Turntrans-107.4-11.2-173-59.6-65146.200112.4S114 M120 A290 H291S114-E117 WeakPolarHBondContact OG-CB 3.41Å; S114-E117 PolarHBondContact OG-N 3.36Å; E117-M120 HydrophobicContact CB-CG 4.05Å; E117-A290 WeakPolarHBondContact O-CB 3.44Å; E117-H291 VanDerWaalsContact C-CE1 3.42Å
118G94.6Very high96.7Very high0 Ų031.6 Ų31.60%016%0.161CC..EExtended strand (participates in β ladder)trans73.3-143.5-170.800000111.6Y113 S114 M120 A290 H291Y113-G118 WeakPolarHBondContact CA-O 3.43Å; Y113-G118 VanDerWaalsContact CD2-O 3.29Å; Y113-G118 WeakPolarHBondContact CD2-O 3.45Å; S114-G118 PolarHBondContact N-O 2.64Å; S114-G118 VanDerWaalsContact O-CA 3.28Å; S114-G118 WeakPolarHBondContact O-CA 3.5Å; S114-G118 PolarHBondContact O-N 2.89Å; G118-M120 PolarHBondContact O-N 3.12Å; G118-A290 WeakPolarHBondContact CA-O 3.4Å; G118-H291 PolarHBondContact N-CE1 3.48Å; G118-H291 PolarHBondContact N-NE2 3.03Å; G118-H291 VanDerWaalsContact N-NE2 3.15Å
119I96.3Very high96.4Very high26 Ų2632.4 Ų32.413%0.13317%0.167CC..EExtended strand (participates in β ladder)trans-72.5113.9175.5-60.4178000109.4V111 Y113 K269 A272 Y273 A290V111-I119 HydrophobicContact CB-CG2 4.38Å; Y113-I119 HydrophobicContact CD2-CG1 4.32Å; I119-K269 HydrophobicContact CD1-CB 3.97Å; I119-K269 HydrophobicContact CD1-CD 4.4Å; I119-K269 HydrophobicContact CD1-CG 3.89Å; I119-A272 HydrophobicContact CD1-CB 3.94Å; I119-A272 HydrophobicContact CG1-CB 3.66Å; I119-Y273 HydrophobicContact CD1-CD1 4.04Å; I119-Y273 HydrophobicContact CD1-CE1 3.32Å; I119-Y273 HydrophobicContact CG1-CE1 4.21Å; I119-A290 WeakPolarHBondContact CG1-O 3.07Å; I119-A290 PolarHBondContact N-O 3.11Å
120M96.3Very high96Very high87 Ų8734.4 Ų34.443%0.42919%0.187SC..EExtended strand (participates in β ladder)trans-90.7-32.3-178-53.7175.374.300112.5K112 E117 G118K112-M120 HydrophobicContact CD-CB 4.42Å; K112-M120 HydrophobicContact CG-CB 4.32Å; K112-M120 HydrophobicContact CG-SD 4.34Å; K112-M120 PolarHBondContact O-N 3.14Å; E117-M120 HydrophobicContact CB-CG 4.05Å; G118-M120 PolarHBondContact O-N 3.12Å
121A96.9Very high95.6Very high39 Ų3942.6 Ų42.632%0.32223%0.225SC..EExtended strand (participates in β ladder)trans-162.4159.9177.400000110.4V111 K112 F171V111-A121 WeakPolarHBondContact CA-O 3.3Å; K112-A121 HydrophobicContact CB-CB 4.23Å; K112-A121 PolarHBondContact N-O 3.45Å; K112-A121 PolarHBondContact O-N 3.46Å; A121-F171 HydrophobicContact CB-CE2 3.79Å; A121-F171 HydrophobicContact CB-CZ 4.13Å
122D97.4Very high95.3Very high72 Ų7244.3 Ų44.339%0.38523%0.234SC..EExtended strand (participates in β ladder)trans-133154.9171.470.3-127.1000113.1C110 V111 L265 K269C110-D122 CarbonylContact O-C 3.53Å; C110-D122 WeakPolarHBondContact O-CA 3.4Å; V111-D122 HydrophobicContact CG1-CB 3.94Å; D122-L265 HydrophobicContact CB-CD1 3.74Å; D122-K269 WeakPolarHBondContact OD1-CE 3.36Å; D122-K269 IonicContact OD1-NZ 2.89Å; D122-K269 PolarHBondContact OD1-NZ 3.47Å
123F98.3Very high94.9Very high25 Ų2543.3 Ų43.311%0.1123%0.233CC..EExtended strand (participates in β ladder)trans-129.4133.3175163.6-99.2000108.4I108 G109 C110 V164 N167 L168 F171I108-F123 HydrophobicContact CD1-CE1 4.39Å; I108-F123 HydrophobicContact CG1-CE1 4.3Å; I108-F123 HydrophobicContact CG2-CE1 3.75Å; I108-F123 HydrophobicContact CG2-CZ 4.24Å; G109-F123 CarbonylContact C-O 3.27Å; G109-F123 WeakPolarHBondContact CA-O 3.35Å; C110-F123 HydrophobicContact CB-CB 4.22Å; C110-F123 HydrophobicContact CB-CD1 4.02Å; C110-F123 PolarHBondContact N-O 2.76Å; C110-F123 PolarHBondContact O-N 3.07Å; F123-V164 HydrophobicContact CZ-CG1 4.21Å; F123-N167 HydrophobicContact CE2-CB 3.77Å; F123-N167 HydrophobicContact CZ-CB 4.23Å; F123-L168 HydrophobicContact CD1-CD1 3.84Å; F123-L168 HydrophobicContact CE1-CB 3.89Å; F123-L168 HydrophobicContact CE1-CD1 3.95Å; F123-L168 HydrophobicContact CZ-CB 4.18Å; F123-F171 HydrophobicContact CB-CB 4.22Å; F123-F171 HydrophobicContact CB-CD1 3.72Å; F123-F171 HydrophobicContact CB-CD2 3.72Å; F123-F171 HydrophobicContact CB-CE1 3.93Å; F123-F171 HydrophobicContact CB-CE2 3.91Å; F123-F171 HydrophobicContact CB-CG 3.61Å; F123-F171 HydrophobicContact CB-CZ 4.02Å; F123-F171 HydrophobicContact CG-CB 4.42Å; F123-F171 HydrophobicContact CG-CD1 4.48Å; F123-F171 HydrophobicContact CG-CG 4.3Å
124H98.6Very high94.6Very high51 Ų5155 Ų5524%0.23628%0.277CS..EExtended strand (participates in β ladder)trans-143141.9177.6172.8-97.7000110.5E107 I108 F126 C252 L265E107-H124 IonicContact OE1-CD2 3.11Å; E107-H124 IonicContact OE1-CE1 3.15Å; E107-H124 IonicContact OE1-NE2 2.64Å; E107-H124 PolarHBondContact OE1-NE2 3.11Å; I108-H124 WeakPolarHBondContact O-CA 3.18Å; I108-H124 PolarHBondContact O-CD2 3.42Å; H124-F126 AromaticContact CE1-CE2 3.74Å; H124-F126 AromaticContact CE1-CZ 3.87Å; H124-C252 WeakPolarHBondContact CE1-CB 3.39Å; H124-C252 PolarHBondContact CE1-SG 2.89Å; H124-C252 WeakPolarHBondContact NE2-CB 3.37Å; H124-L265 HydrophobicContact CB-CB 4.37Å; H124-L265 HydrophobicContact CB-CD2 4.07Å
125S98.6Very high94.3Very high10 Ų1058.6 Ų58.67%0.0732%0.315CS..EExtended strand (participates in β ladder)trans-153.6144167.4-173.10000111E107 I108 H159 V164E107-S125 CarbonylContact C-O 3.5Å; E107-S125 WeakPolarHBondContact CA-O 3.46Å; I108-S125 WeakPolarHBondContact CG2-O 3.48Å; I108-S125 PolarHBondContact N-O 3.02Å; I108-S125 PolarHBondContact O-N 3.37Å; S125-H159 PolarHBondContact OG-ND1 2.99Å; S125-V164 WeakPolarHBondContact OG-CG2 3.47Å
126F98.6Very high94.3Very high14 Ų1460.7 Ų60.76%0.06132%0.324CS..EExtended strand (participates in β ladder)trans-75.1149.6158.3-65.3-69.4000110.3E107 H124 I150 F155 R157 H159 W254 H255E107-F126 HydrophobicContact CB-CD1 4.37Å; E107-F126 HydrophobicContact CG-CD1 4.03Å; E107-F126 HydrophobicContact CG-CE1 4.12Å; H124-F126 AromaticContact CE1-CE2 3.74Å; H124-F126 AromaticContact CE1-CZ 3.87Å; F126-I150 HydrophobicContact CD1-CD1 3.82Å; F126-I150 HydrophobicContact CD1-CG1 4.27Å; F126-I150 HydrophobicContact CE1-CD1 3.72Å; F126-I150 HydrophobicContact CE1-CG1 3.92Å; F126-F155 HydrophobicContact CB-CE1 3.84Å; F126-F155 AromaticContact CD1-CE1 3.66Å; F126-F155 HydrophobicContact CD1-CE1 3.66Å; F126-F155 HydrophobicContact CD1-CZ 4.19Å; F126-F155 AromaticContact CD2-CE1 3.93Å; F126-F155 HydrophobicContact CD2-CE1 3.93Å; F126-F155 HydrophobicContact CD2-CZ 4.15Å; F126-F155 HydrophobicContact CE1-CE1 4.16Å; F126-F155 HydrophobicContact CE1-CZ 4.24Å; F126-F155 HydrophobicContact CE2-CE1 4.4Å; F126-F155 HydrophobicContact CE2-CZ 4.21Å; F126-F155 AromaticContact CG-CE1 3.53Å; F126-F155 HydrophobicContact CG-CE1 3.53Å; F126-F155 HydrophobicContact CG-CZ 4.15Å; F126-F155 HydrophobicContact CZ-CZ 4.26Å; F126-R157 WeakPolarHBondContact CB-O 3.17Å; F126-R157 HydrophobicContact CD2-CB 3.95Å; F126-H159 PolarHBondContact O-N 3.29Å; F126-H159 VanDerWaalsContact O-N 3.09Å; F126-W254 HydrophobicContact CE1-CE3 4.21Å; F126-W254 HydrophobicContact CE2-CB 3.85Å; F126-W254 HydrophobicContact CE2-CG 4.26Å; F126-W254 HydrophobicContact CZ-CB 3.77Å; F126-W254 HydrophobicContact CZ-CD2 4.02Å; F126-W254 AromaticContact CZ-CE3 3.81Å; F126-W254 HydrophobicContact CZ-CE3 3.81Å; F126-W254 HydrophobicContact CZ-CG 4.03Å; F126-H255 AromaticContact CE1-CE1 3.72Å; F126-H255 AromaticContact CZ-ND1 3.95Å
127I97.7Very high94.3Very high3 Ų364.4 Ų64.42%0.01533%0.334CS..BIsolated β-bridgetrans-120.2132.2-176-58.4173.7000108.1P105 C106 I108 P129 Q161 V164 M199P105-I127 HydrophobicContact CB-CD1 3.97Å; P105-I127 HydrophobicContact CB-CG2 4.2Å; P105-I127 HydrophobicContact CG-CG2 4.2Å; P105-I127 WeakPolarHBondContact O-CG2 3.42Å; C106-I127 PolarHBondContact O-N 3.09Å; I108-I127 HydrophobicContact CB-CD1 3.91Å; I108-I127 HydrophobicContact CG2-CD1 3.99Å; I108-I127 HydrophobicContact CG2-CG1 4.26Å; I127-P129 VanDerWaalsContact O-CD 3.32Å; I127-P129 WeakPolarHBondContact O-CD 3.39Å; I127-Q161 HydrophobicContact CG2-CG 3.61Å; I127-V164 HydrophobicContact CD1-CG1 4.26Å; I127-V164 HydrophobicContact CG1-CG1 4.04Å; I127-V164 HydrophobicContact CG1-CG2 4.26Å; I127-M199 HydrophobicContact CD1-CE 4.42Å; I127-M199 HydrophobicContact CD1-SD 4.05Å
128N95.6Very high94.2Very high84 Ų8467.3 Ų67.345%0.44935%0.346SS..  trans-74.7114165-176.1-17.6000108.6G130 H159 Q161N128-G130 PolarHBondContact O-N 3.03Å; N128-G130 PolarHBondContact OD1-N 3.17Å; N128-H159 WeakPolarHBondContact CB-O 3.5Å; N128-H159 PolarHBondContact N-O 2.86Å; N128-Q161 WeakPolarHBondContact O-CG 3.41Å; N128-Q161 PolarHBondContact O-NE2 2.75Å
129P92Very high94.1Very high18 Ų1871.1 Ų71.112%0.11736%0.363CS..  trans-69.4-13.9-175.631.5-39.6000113.4L104 P105 I127 Q161L104-P129 HydrophobicContact CB-CB 4.02Å; L104-P129 HydrophobicContact CD2-CB 4.46Å; P105-P129 WeakPolarHBondContact O-CA 3.39Å; P105-P129 WeakPolarHBondContact O-CB 3.17Å; I127-P129 VanDerWaalsContact O-CD 3.32Å; I127-P129 WeakPolarHBondContact O-CD 3.39Å; P129-Q161 PolarHBondContact O-NE2 3.35Å
130G90Very high94.1Very high42 Ų4269.9 Ų69.943%0.43336%0.357SS..  trans82.3-159.6-167.800000112.1N128N128-G130 PolarHBondContact O-N 3.03Å; N128-G130 PolarHBondContact OD1-N 3.17Å
131E90Very high94Very high171 Ų17169.1 Ų69.180%0.79935%0.352SS*.PPolyproline II helixtrans-74.6131180-66.4-166.6162.400111.9Q101Q101-E131 PolarHBondContact OE1-O 3.32Å; Q101-E131 VanDerWaalsContact OE1-O 3.07Å
132I91.4Very high93.9Very high36 Ų3669 Ų6919%0.18535%0.351CS..PPolyproline II helixtrans-74.5129.1173.5-57.2176.9000108.9L104 F136 C140 I152L104-I132 HydrophobicContact CD1-CB 4.45Å; L104-I132 HydrophobicContact CD1-CG1 4.17Å; L104-I132 HydrophobicContact CD1-CG2 4.17Å; I132-F136 HydrophobicContact CG2-CB 4.31Å; I132-C140 HydrophobicContact CD1-CB 4.33Å; I132-C140 HydrophobicContact CG2-CB 4.5Å; I132-I152 HydrophobicContact CD1-CB 3.81Å; I132-I152 HydrophobicContact CD1-CD1 3.98Å; I132-I152 HydrophobicContact CD1-CG1 4.08Å; I132-I152 WeakPolarHBondContact CD1-O 3.37Å
133P90.3Very high93.7Very high27 Ų2766.6 Ų66.618%0.17534%0.342CS..PPolyproline II helixtrans-57.7142.2178.6-27.637.8000112.4L95 Q101 G135 F136L95-P133 HydrophobicContact CD1-CB 4.37Å; L95-P133 HydrophobicContact CD1-CG 3.68Å; Q101-P133 HydrophobicContact CB-CG 4.11Å; Q101-P133 HydrophobicContact CG-CG 4.44Å; P133-G135 PolarHBondContact O-N 3.48Å; P133-F136 HydrophobicContact CB-CD2 3.75Å; P133-F136 HydrophobicContact CB-CE2 4.37Å; P133-F136 PolarHBondContact O-N 3.47Å
134R89.6Confident93.6Very high246 Ų24665.4 Ų65.493%0.92834%0.337SS*.THydrogen-bonded Turntrans-55.5134.3-178.6-68.5-176.7-178.8-178.90.9110.5F136R134-F136 VanDerWaalsContact C-N 3.34Å; R134-F136 WeakPolarHBondContact O-CD2 3.31Å
135G89.7Confident93.4Very high81 Ų8166.7 Ų66.784%0.83535%0.345SS*.THydrogen-bonded Turntrans88.1-13.9-177.800000115.2P133P133-G135 PolarHBondContact O-N 3.48Å
136F91.6Very high93.1Very high50 Ų5069.8 Ų69.822%0.21937%0.367CS..  trans-99.5-0.7-175.6-66.5-79.3000115L95 P96 I132 P133 R134 F138 H139 C140L95-F136 HydrophobicContact CD1-CB 4.36Å; L95-F136 HydrophobicContact CD1-CG 4.24Å; L95-F136 HydrophobicContact CD2-CB 3.95Å; L95-F136 HydrophobicContact CD2-CD1 3.89Å; L95-F136 HydrophobicContact CD2-CG 4.04Å; P96-F136 HydrophobicContact CG-CE1 3.66Å; P96-F136 HydrophobicContact CG-CZ 4Å; I132-F136 HydrophobicContact CG2-CB 4.31Å; P133-F136 HydrophobicContact CB-CD2 3.75Å; P133-F136 HydrophobicContact CB-CE2 4.37Å; P133-F136 PolarHBondContact O-N 3.47Å; R134-F136 VanDerWaalsContact C-N 3.34Å; R134-F136 WeakPolarHBondContact O-CD2 3.31Å; F136-F138 VanDerWaalsContact C-N 3.31Å; F136-F138 PolarHBondContact O-N 3.42Å; F136-H139 WeakPolarHBondContact O-CB 3.18Å; F136-H139 PolarHBondContact O-N 3.11Å; F136-H139 VanDerWaalsContact O-N 3.11Å; F136-C140 PolarHBondContact O-N 3.43Å; F136-C140 PolarHBondContact O-SG 2.82Å
137R93.3Very high92.9Very high158 Ų15870.4 Ų70.460%0.59637%0.373SS*.Hα-helixtrans-56.6-42.5-177.7-163.1179-168.9176.96.1113.1C140 Q141 I152 S153R137-C140 PolarHBondContact O-N 2.92Å; R137-Q141 WeakPolarHBondContact O-CB 3.39Å; R137-Q141 PolarHBondContact O-N 3.36Å; R137-I152 HydrophobicContact CG-CD1 3.57Å; R137-I152 WeakPolarHBondContact O-CD1 3.32Å; R137-S153 PolarHBondContact NH2-OG 2.9Å
138F92.3Very high92.8Very high173 Ų17370.3 Ų70.376%0.75937%0.372SS*.Hα-helixtrans-63.2-45.2177.2175.1-96.2000111.9F136 C140 Q141 A142F136-F138 VanDerWaalsContact C-N 3.31Å; F136-F138 PolarHBondContact O-N 3.42Å; F138-C140 VanDerWaalsContact C-N 3.3Å; F138-C140 PolarHBondContact O-N 3.41Å; F138-Q141 PolarHBondContact O-N 3.35Å; F138-A142 WeakPolarHBondContact O-CB 3.44Å; F138-A142 PolarHBondContact O-N 3.24Å
139H92.6Very high92.9Very high81 Ų8169.6 Ų69.638%0.37537%0.365SS..Hα-helixtrans-58.5-45.7176.9-177.876.4000111E94 F136 Q141 A142 A143E94-H139 PolarHBondContact O-NE2 2.93Å; F136-H139 WeakPolarHBondContact O-CB 3.18Å; F136-H139 PolarHBondContact O-N 3.11Å; F136-H139 VanDerWaalsContact O-N 3.11Å; H139-Q141 PolarHBondContact O-N 3.23Å; H139-A142 PolarHBondContact O-N 3.46Å; H139-A143 WeakPolarHBondContact O-CB 3.49Å; H139-A143 PolarHBondContact O-N 3.13Å
140C94.6Very high93.1Very high0 Ų068.8 Ų68.80%036%0.36CS..Hα-helixtrans-66.3-39.8179.6-68.60000113.4H92 I132 F136 R137 F138 S144 I152H92-C140 HydrophobicContact CB-CB 4.1Å; H92-C140 WeakPolarHBondContact O-CA 3.2Å; H92-C140 WeakPolarHBondContact O-CB 3.46Å; I132-C140 HydrophobicContact CD1-CB 4.33Å; I132-C140 HydrophobicContact CG2-CB 4.5Å; F136-C140 PolarHBondContact O-N 3.43Å; F136-C140 PolarHBondContact O-SG 2.82Å; R137-C140 PolarHBondContact O-N 2.92Å; F138-C140 VanDerWaalsContact C-N 3.3Å; F138-C140 PolarHBondContact O-N 3.41Å; C140-S144 WeakPolarHBondContact O-CB 3.35Å; C140-S144 PolarHBondContact O-N 3.45Å; C140-I152 HydrophobicContact CB-CD1 4.45Å; C140-I152 HydrophobicContact CB-CG2 4.29Å
141Q95.4Very high93.4Very high70 Ų7069.3 Ų69.333%0.32736%0.355SS..Hα-helixtrans-63.1-47.3175.2-17061.660.600110.8R137 F138 H139 A143 S144 D145 I152R137-Q141 WeakPolarHBondContact O-CB 3.39Å; R137-Q141 PolarHBondContact O-N 3.36Å; F138-Q141 PolarHBondContact O-N 3.35Å; H139-Q141 PolarHBondContact O-N 3.23Å; Q141-A143 VanDerWaalsContact C-N 3.34Å; Q141-A143 PolarHBondContact O-N 3.42Å; Q141-S144 WeakPolarHBondContact O-CB 3.41Å; Q141-S144 PolarHBondContact O-N 3.44Å; Q141-D145 PolarHBondContact NE2-OD1 2.94Å; Q141-D145 WeakPolarHBondContact O-CB 3.47Å; Q141-D145 PolarHBondContact O-N 3.13Å; Q141-I152 HydrophobicContact CB-CD1 3.87Å
142A94.6Very high93.6Very high36 Ų3661.8 Ų61.830%0.29832%0.321SS..Hα-helixtrans-61.7-41-179.100000112.3F138 H139 S146F138-A142 WeakPolarHBondContact O-CB 3.44Å; F138-A142 PolarHBondContact O-N 3.24Å; H139-A142 PolarHBondContact O-N 3.46Å; A142-S146 WeakPolarHBondContact O-CB 3.47Å; A142-S146 PolarHBondContact O-N 2.89Å; A142-S146 VanDerWaalsContact O-N 3.17Å; A142-S146 PolarHBondContact O-OG 3.18Å
143A93.9Very high93.6Very high23 Ų2362.2 Ų62.219%0.1933%0.327CS..Hα-helixtrans-66.8-39.3175.300000112.3H139 Q141 S146 S147H139-A143 WeakPolarHBondContact O-CB 3.49Å; H139-A143 PolarHBondContact O-N 3.13Å; Q141-A143 VanDerWaalsContact C-N 3.34Å; Q141-A143 PolarHBondContact O-N 3.42Å; A143-S146 PolarHBondContact O-OG 3.48Å; A143-S146 VanDerWaalsContact O-OG 3.13Å; A143-S147 WeakPolarHBondContact O-CB 3.46Å; A143-S147 PolarHBondContact O-N 3.33Å; A143-S147 PolarHBondContact O-OG 3.39Å
144S95.7Very high93.5Very high0 Ų068.8 Ų68.80%036%0.36CS..Hα-helixtrans-62.2-50.7173.7-175.50000111.6C140 Q141 S146 S147 H148 K149 I150C140-S144 WeakPolarHBondContact O-CB 3.35Å; C140-S144 PolarHBondContact O-N 3.45Å; Q141-S144 WeakPolarHBondContact O-CB 3.41Å; Q141-S144 PolarHBondContact O-N 3.44Å; S144-S146 PolarHBondContact O-N 2.9Å; S144-S147 CarbonylContact O-C 3.43Å; S144-S147 PolarHBondContact O-N 3.02Å; S144-H148 VanDerWaalsContact CB-CE1 3.49Å; S144-H148 WeakPolarHBondContact CB-CE1 3.29Å; S144-H148 PolarHBondContact O-N 3.42Å; S144-H148 PolarHBondContact OG-CE1 3.29Å; S144-H148 PolarHBondContact OG-ND1 3.49Å; S144-K149 VanDerWaalsContact O-CA 3.24Å; S144-K149 WeakPolarHBondContact O-CA 3.32Å; S144-K149 PolarHBondContact O-N 3.04Å; S144-K149 VanDerWaalsContact OG-C 3.3Å; S144-K149 WeakPolarHBondContact OG-CA 3.37Å; S144-I150 PolarHBondContact OG-N 3Å; S144-I150 PolarHBondContact OG-O 2.95Å
145D94.1Very high93.7Very high78 Ų7859 Ų5942%0.41733%0.325SS..Hα-helixtrans-60.2-34.5-176.4-68.8-14.2000112.9Q141Q141-D145 PolarHBondContact NE2-OD1 2.94Å; Q141-D145 WeakPolarHBondContact O-CB 3.47Å; Q141-D145 PolarHBondContact O-N 3.13Å
146S93.2Very high93.9Very high75 Ų7564.4 Ų64.452%0.52433%0.328SS..Hα-helixtrans-83.6-12.7179.967.60000114.1A142 A143 S144A142-S146 WeakPolarHBondContact O-CB 3.47Å; A142-S146 PolarHBondContact O-N 2.89Å; A142-S146 VanDerWaalsContact O-N 3.17Å; A142-S146 PolarHBondContact O-OG 3.18Å; A143-S146 PolarHBondContact O-OG 3.48Å; A143-S146 VanDerWaalsContact O-OG 3.13Å; S144-S146 PolarHBondContact O-N 2.9Å
147S94.1Very high94Very high27 Ų2768.1 Ų68.119%0.18934%0.341CS..THydrogen-bonded Turntrans-130.2-109.1-176.367.90000112.1A143 S144 K149 F262A143-S147 WeakPolarHBondContact O-CB 3.46Å; A143-S147 PolarHBondContact O-N 3.33Å; A143-S147 PolarHBondContact O-OG 3.39Å; S144-S147 CarbonylContact O-C 3.43Å; S144-S147 PolarHBondContact O-N 3.02Å; S147-K149 VanDerWaalsContact C-N 3.3Å; S147-K149 WeakPolarHBondContact O-CG 3.42Å; S147-K149 PolarHBondContact O-N 3.12Å; S147-F262 VanDerWaalsContact C-CB 3.44Å; S147-F262 WeakPolarHBondContact O-CD2 3.33Å
148H95.3Very high94.1Very high0 Ų061.4 Ų61.40%032%0.32CS..THydrogen-bonded Turntrans-73.5-14.5-168.358.259.7000114.7F90 S91 H92 C106 S144 I150 H255 F262F90-H148 HydrophobicContact CD2-CB 3.96Å; F90-H148 HydrophobicContact CE2-CB 4.5Å; S91-H148 PolarHBondContact O-NE2 3.29Å; S91-H148 VanDerWaalsContact O-NE2 3.11Å; H92-H148 AromaticContact CE1-CE1 3.89Å; H92-H148 AromaticContact ND1-CE1 3.3Å; H92-H148 PolarHBondContact ND1-CE1 3.06Å; H92-H148 VanDerWaalsContact ND1-CE1 3.3Å; H92-H148 AromaticContact ND1-NE2 3.77Å; C106-H148 PolarHBondContact SG-NE2 3.48Å; S144-H148 VanDerWaalsContact CB-CE1 3.49Å; S144-H148 WeakPolarHBondContact CB-CE1 3.29Å; S144-H148 PolarHBondContact O-N 3.42Å; S144-H148 PolarHBondContact OG-CE1 3.29Å; S144-H148 PolarHBondContact OG-ND1 3.49Å; H148-I150 HydrophobicContact CB-CD1 4.05Å; H148-I150 HydrophobicContact CB-CG1 4.2Å; H148-I150 WeakPolarHBondContact ND1-CB 3.36Å; H148-I150 PolarHBondContact ND1-N 2.9Å; H148-I150 VanDerWaalsContact ND1-N 3.11Å; H148-I150 PolarHBondContact O-N 2.82Å; H148-H255 PolarHBondContact O-NE2 3.45Å; H148-F262 WeakPolarHBondContact CA-O 3.44Å; H148-F262 HydrophobicContact CB-CB 4.31Å; H148-F262 WeakPolarHBondContact CB-O 2.93Å
149K96.9Very high94.3Very high69 Ų6958.1 Ų58.130%0.331%0.307SS..  trans53.26.3-178.9-42.5-163.2176.3-137.20117.4S144 S147 P151 I260S144-K149 VanDerWaalsContact O-CA 3.24Å; S144-K149 WeakPolarHBondContact O-CA 3.32Å; S144-K149 PolarHBondContact O-N 3.04Å; S144-K149 VanDerWaalsContact OG-C 3.3Å; S144-K149 WeakPolarHBondContact OG-CA 3.37Å; S147-K149 VanDerWaalsContact C-N 3.3Å; S147-K149 WeakPolarHBondContact O-CG 3.42Å; S147-K149 PolarHBondContact O-N 3.12Å; K149-P151 WeakPolarHBondContact O-CD 3.46Å; K149-I260 HydrophobicContact CB-CD1 3.77Å; K149-I260 HydrophobicContact CB-CG1 4.33Å; K149-I260 HydrophobicContact CB-CG2 4.49Å; K149-I260 HydrophobicContact CD-CD1 4.32Å; K149-I260 HydrophobicContact CD-CG1 4.06Å; K149-I260 HydrophobicContact CG-CD1 4.26Å; K149-I260 HydrophobicContact CG-CG1 4.28Å; K149-I260 HydrophobicContact CG-CG2 4.1Å
150I97.5Very high94.4Very high2 Ų258.9 Ų58.91%0.0131%0.314CS..  trans-52.7121.7168.3-57.3164.3000109.4H92 C106 E107 F126 S144 H148 I152 F155 W254H92-I150 PolarHBondContact CE1-O 3.1Å; H92-I150 VanDerWaalsContact CE1-O 3.25Å; C106-I150 HydrophobicContact CB-CD1 4.25Å; E107-I150 HydrophobicContact CB-CD1 3.78Å; E107-I150 HydrophobicContact CG-CD1 4.36Å; F126-I150 HydrophobicContact CD1-CD1 3.82Å; F126-I150 HydrophobicContact CD1-CG1 4.27Å; F126-I150 HydrophobicContact CE1-CD1 3.72Å; F126-I150 HydrophobicContact CE1-CG1 3.92Å; S144-I150 PolarHBondContact OG-N 3Å; S144-I150 PolarHBondContact OG-O 2.95Å; H148-I150 HydrophobicContact CB-CD1 4.05Å; H148-I150 HydrophobicContact CB-CG1 4.2Å; H148-I150 WeakPolarHBondContact ND1-CB 3.36Å; H148-I150 PolarHBondContact ND1-N 2.9Å; H148-I150 VanDerWaalsContact ND1-N 3.11Å; H148-I150 PolarHBondContact O-N 2.82Å; I150-I152 PolarHBondContact O-N 3.25Å; I150-F155 HydrophobicContact CG2-CD1 3.66Å; I150-F155 HydrophobicContact CG2-CE1 3.71Å; I150-F155 HydrophobicContact CG2-CG 4.13Å; I150-F155 HydrophobicContact CG2-CZ 4.24Å; I150-W254 HydrophobicContact CG1-CH2 4.34Å; I150-W254 HydrophobicContact CG1-CZ3 3.97Å
151P96.1Very high94.4Very high52 Ų5259.9 Ų59.934%0.33832%0.319SS..  trans-57.2136.4179.4-25.634.1000112.4K149 S153 F155K149-P151 WeakPolarHBondContact O-CD 3.46Å; P151-S153 PolarHBondContact O-N 3.36Å; P151-F155 HydrophobicContact CB-CB 4.37Å; P151-F155 HydrophobicContact CG-CD2 4.01Å
152I94.5Very high94.3Very high14 Ų1457.6 Ų57.67%0.07231%0.312CS..SBendtrans-79.5-2.3-178.873.2173.4000113.3H92 I132 R137 C140 Q141 I150H92-I152 HydrophobicContact CB-CG2 4.45Å; I132-I152 HydrophobicContact CD1-CB 3.81Å; I132-I152 HydrophobicContact CD1-CD1 3.98Å; I132-I152 HydrophobicContact CD1-CG1 4.08Å; I132-I152 WeakPolarHBondContact CD1-O 3.37Å; R137-I152 HydrophobicContact CG-CD1 3.57Å; R137-I152 WeakPolarHBondContact O-CD1 3.32Å; C140-I152 HydrophobicContact CB-CD1 4.45Å; C140-I152 HydrophobicContact CB-CG2 4.29Å; Q141-I152 HydrophobicContact CB-CD1 3.87Å; I150-I152 PolarHBondContact O-N 3.25Å
153S90.1Very high94.3Very high45 Ų4559.4 Ų59.432%0.31532%0.319SS..SBendtrans-150146.3-178.2-57.40000109.1R137 P151 F155R137-S153 PolarHBondContact NH2-OG 2.9Å; P151-S153 PolarHBondContact O-N 3.36Å; S153-F155 VanDerWaalsContact C-N 3.25Å; S153-F155 PolarHBondContact O-N 3.44Å
154N88.2Confident94.4Very high164 Ų16458.3 Ų58.388%0.87731%0.31SS*.  trans54.935175.5-54.2-22.1000114.5E156N154-E156 PolarHBondContact O-N 3.32Å
155F93.9Very high94.4Very high42 Ų4258.3 Ų58.318%0.18431%0.31CS..  trans-91.794.9174.9-170-119000110.9F126 I150 P151 S153 R157 G158 W254F126-F155 HydrophobicContact CB-CE1 3.84Å; F126-F155 AromaticContact CD1-CE1 3.66Å; F126-F155 HydrophobicContact CD1-CE1 3.66Å; F126-F155 HydrophobicContact CD1-CZ 4.19Å; F126-F155 AromaticContact CD2-CE1 3.93Å; F126-F155 HydrophobicContact CD2-CE1 3.93Å; F126-F155 HydrophobicContact CD2-CZ 4.15Å; F126-F155 HydrophobicContact CE1-CE1 4.16Å; F126-F155 HydrophobicContact CE1-CZ 4.24Å; F126-F155 HydrophobicContact CE2-CE1 4.4Å; F126-F155 HydrophobicContact CE2-CZ 4.21Å; F126-F155 AromaticContact CG-CE1 3.53Å; F126-F155 HydrophobicContact CG-CE1 3.53Å; F126-F155 HydrophobicContact CG-CZ 4.15Å; F126-F155 HydrophobicContact CZ-CZ 4.26Å; I150-F155 HydrophobicContact CG2-CD1 3.66Å; I150-F155 HydrophobicContact CG2-CE1 3.71Å; I150-F155 HydrophobicContact CG2-CG 4.13Å; I150-F155 HydrophobicContact CG2-CZ 4.24Å; P151-F155 HydrophobicContact CB-CB 4.37Å; P151-F155 HydrophobicContact CG-CD2 4.01Å; S153-F155 VanDerWaalsContact C-N 3.25Å; S153-F155 PolarHBondContact O-N 3.44Å; F155-R157 HydrophobicContact CD1-CB 4.28Å; F155-R157 HydrophobicContact CE1-CB 3.73Å; F155-R157 HydrophobicContact CE2-CB 4.35Å; F155-R157 HydrophobicContact CE2-CG 4.48Å; F155-R157 HydrophobicContact CZ-CB 3.78Å; F155-R157 HydrophobicContact CZ-CG 4.26Å; F155-R157 PolarHBondContact O-N 3.41Å; F155-R157 VanDerWaalsContact O-N 3.12Å; F155-G158 PolarHBondContact O-N 3.21Å; F155-G158 VanDerWaalsContact O-N 3.16Å; F155-W254 AromaticContact CE2-CE2 3.95Å; F155-W254 HydrophobicContact CE2-CZ2 4.16Å; F155-W254 AromaticContact CE2-NE1 3.89Å; F155-W254 HydrophobicContact CZ-CD2 4.33Å; F155-W254 HydrophobicContact CZ-CZ2 4.49Å
156E93.2Very high94.4Very high193 Ų19356.8 Ų56.890%0.90230%0.301SS*.THydrogen-bonded Turntrans-63.9-18.9-171.7-62.2-179.5170.400114.4N154 G158N154-E156 PolarHBondContact O-N 3.32Å; E156-G158 VanDerWaalsContact C-N 3.28Å; E156-G158 PolarHBondContact O-N 3.03Å
157R94.5Very high94.5Very high129 Ų12956.1 Ų56.149%0.48729%0.291SS..THydrogen-bonded Turntrans-79.6-10180-61.2176.3179-112.45.3113.1F126 F155F126-R157 WeakPolarHBondContact CB-O 3.17Å; F126-R157 HydrophobicContact CD2-CB 3.95Å; F155-R157 HydrophobicContact CD1-CB 4.28Å; F155-R157 HydrophobicContact CE1-CB 3.73Å; F155-R157 HydrophobicContact CE2-CB 4.35Å; F155-R157 HydrophobicContact CE2-CG 4.48Å; F155-R157 HydrophobicContact CZ-CB 3.78Å; F155-R157 HydrophobicContact CZ-CG 4.26Å; F155-R157 PolarHBondContact O-N 3.41Å; F155-R157 VanDerWaalsContact O-N 3.12Å
158G95.1Very high94.6Very high16 Ų1654.9 Ų54.917%0.16528%0.283CS..PPolyproline II helixtrans-74.8120.4-179.800000112.3F155 E156F155-G158 PolarHBondContact O-N 3.21Å; F155-G158 VanDerWaalsContact O-N 3.16Å; E156-G158 VanDerWaalsContact C-N 3.28Å; E156-G158 PolarHBondContact O-N 3.03Å
159H96.4Very high94.6Very high104 Ų10455.3 Ų55.348%0.48128%0.284SS..BIsolated β-bridgetrans-88.7158.9177.3-61.2111.4000112.3S125 F126 N128 V164S125-H159 PolarHBondContact OG-ND1 2.99Å; F126-H159 PolarHBondContact O-N 3.29Å; F126-H159 VanDerWaalsContact O-N 3.09Å; N128-H159 WeakPolarHBondContact CB-O 3.5Å; N128-H159 PolarHBondContact N-O 2.86Å; H159-V164 HydrophobicContact CB-CG2 3.62Å
160N94.5Very high94.4Very high98 Ų9859.4 Ų59.452%0.52430%0.298SS..PPolyproline II helixtrans-59.7138.2173.6178.8-81.8000111.5A162 T163 V164N160-A162 VanDerWaalsContact C-N 3.34Å; N160-A162 PolarHBondContact O-N 3.48Å; N160-A162 WeakPolarHBondContact OD1-CB 3.36Å; N160-A162 PolarHBondContact OD1-N 2.86Å; N160-T163 WeakPolarHBondContact O-CB 3.39Å; N160-T163 PolarHBondContact O-N 3.2Å; N160-T163 VanDerWaalsContact O-N 3.16Å; N160-V164 WeakPolarHBondContact O-CG2 3.28Å; N160-V164 PolarHBondContact O-N 3.33Å
161Q94.8Very high94.3Very high21 Ų2161.2 Ų61.210%0.09831%0.306CS..Hα-helixtrans-55.7-41.2-176.4-68.6-174.136.300114.1I127 N128 P129 V164 L165 H198 M199I127-Q161 HydrophobicContact CG2-CG 3.61Å; N128-Q161 WeakPolarHBondContact O-CG 3.41Å; N128-Q161 PolarHBondContact O-NE2 2.75Å; P129-Q161 PolarHBondContact O-NE2 3.35Å; Q161-V164 PolarHBondContact O-N 3.47Å; Q161-L165 WeakPolarHBondContact O-CB 3.34Å; Q161-L165 PolarHBondContact O-N 3.45Å; Q161-H198 PolarHBondContact OE1-CD2 2.89Å; Q161-H198 VanDerWaalsContact OE1-CD2 3.25Å; Q161-M199 HydrophobicContact CB-CB 4.43Å; Q161-M199 HydrophobicContact CB-CG 4.03Å; Q161-M199 HydrophobicContact CG-CG 4.26Å
162A93.9Very high94.2Very high22 Ų2258.9 Ų58.918%0.18229%0.29CS..Hα-helixtrans-67.1-41.8179.400000111.3N160 V164 L165 Q166N160-A162 VanDerWaalsContact C-N 3.34Å; N160-A162 PolarHBondContact O-N 3.48Å; N160-A162 WeakPolarHBondContact OD1-CB 3.36Å; N160-A162 PolarHBondContact OD1-N 2.86Å; A162-V164 PolarHBondContact O-N 2.93Å; A162-L165 PolarHBondContact O-N 3.12Å; A162-Q166 WeakPolarHBondContact O-CB 3.29Å; A162-Q166 PolarHBondContact O-N 3.04Å
163T94.7Very high93.8Very high73 Ų7360.1 Ų60.145%0.44830%0.296SS..Hα-helixtrans-61.3-44.7175.4-52.80000111.5N160 Q166 N167N160-T163 WeakPolarHBondContact O-CB 3.39Å; N160-T163 PolarHBondContact O-N 3.2Å; N160-T163 VanDerWaalsContact O-N 3.16Å; T163-Q166 PolarHBondContact O-N 3.43Å; T163-N167 VanDerWaalsContact O-CG 3.28Å; T163-N167 PolarHBondContact O-N 3.44Å; T163-N167 PolarHBondContact O-ND2 3.39Å
164V96.6Very high93.1Very high1 Ų162 Ų621%0.00631%0.307CS..Hα-helixtrans-61.8-45.6178.1175.30000111I108 F123 S125 I127 H159 N160 Q161 A162 N167 L168 M199I108-V164 HydrophobicContact CG2-CG1 3.45Å; I108-V164 VanDerWaalsContact CG2-CG1 3.45Å; F123-V164 HydrophobicContact CZ-CG1 4.21Å; S125-V164 WeakPolarHBondContact OG-CG2 3.47Å; I127-V164 HydrophobicContact CD1-CG1 4.26Å; I127-V164 HydrophobicContact CG1-CG1 4.04Å; I127-V164 HydrophobicContact CG1-CG2 4.26Å; H159-V164 HydrophobicContact CB-CG2 3.62Å; N160-V164 WeakPolarHBondContact O-CG2 3.28Å; N160-V164 PolarHBondContact O-N 3.33Å; Q161-V164 PolarHBondContact O-N 3.47Å; A162-V164 PolarHBondContact O-N 2.93Å; V164-N167 PolarHBondContact O-N 2.96Å; V164-L168 PolarHBondContact O-N 3.41Å; V164-M199 HydrophobicContact CB-CE 4.29Å; V164-M199 HydrophobicContact CG1-CE 4.07Å
165L95.3Very high92.4Very high0 Ų059.8 Ų59.80%030%0.295CS..Hα-helixtrans-63.7-42.3179.1-17261.6000112Q161 A162 N167 L168 Y169 L196 M199 A200Q161-L165 WeakPolarHBondContact O-CB 3.34Å; Q161-L165 PolarHBondContact O-N 3.45Å; A162-L165 PolarHBondContact O-N 3.12Å; L165-N167 VanDerWaalsContact C-N 3.3Å; L165-N167 PolarHBondContact O-N 2.79Å; L165-L168 HydrophobicContact CD1-CD2 4.28Å; L165-L168 WeakPolarHBondContact O-CB 3.46Å; L165-L168 PolarHBondContact O-N 2.98Å; L165-Y169 HydrophobicContact CD1-CD1 4.46Å; L165-Y169 HydrophobicContact CD1-CE1 3.8Å; L165-Y169 HydrophobicContact CD1-CE2 4.33Å; L165-Y169 HydrophobicContact CD2-CE2 4.04Å; L165-Y169 HydrophobicContact CG-CD2 4.34Å; L165-Y169 HydrophobicContact CG-CE1 4.1Å; L165-Y169 HydrophobicContact CG-CE2 3.71Å; L165-Y169 PolarHBondContact O-N 3.48Å; L165-L196 HydrophobicContact CD1-CD2 4.2Å; L165-M199 HydrophobicContact CB-CB 4.46Å; L165-M199 HydrophobicContact CB-CE 3.82Å; L165-M199 HydrophobicContact CD1-CE 4.21Å; L165-M199 HydrophobicContact CD2-CB 4.1Å; L165-A200 VanDerWaalsContact CD2-CA 3.41Å; L165-A200 HydrophobicContact CD2-CB 3.82Å
166Q93.9Very high90.9Very high46 Ų4664.3 Ų64.322%0.21533%0.329CS..Hα-helixtrans-62.4-38.5176.9-174.758.431.400112.2A162 T163 Y169 R170A162-Q166 WeakPolarHBondContact O-CB 3.29Å; A162-Q166 PolarHBondContact O-N 3.04Å; T163-Q166 PolarHBondContact O-N 3.43Å; Q166-Y169 PolarHBondContact O-N 2.97Å; Q166-R170 WeakPolarHBondContact O-CG 3.31Å; Q166-R170 PolarHBondContact O-N 3.08Å; Q166-R170 VanDerWaalsContact O-N 3.1Å
167N95.4Very high89.9Confident61 Ų6157.7 Ų57.733%0.32631%0.312SS..Hα-helixtrans-69.4-37.7176.1-69.8-20.7000111.8F123 T163 V164 L165 Y169 R170 F171F123-N167 HydrophobicContact CE2-CB 3.77Å; F123-N167 HydrophobicContact CZ-CB 4.23Å; T163-N167 VanDerWaalsContact O-CG 3.28Å; T163-N167 PolarHBondContact O-N 3.44Å; T163-N167 PolarHBondContact O-ND2 3.39Å; V164-N167 PolarHBondContact O-N 2.96Å; L165-N167 VanDerWaalsContact C-N 3.3Å; L165-N167 PolarHBondContact O-N 2.79Å; N167-Y169 VanDerWaalsContact C-N 3.34Å; N167-Y169 PolarHBondContact O-N 2.86Å; N167-R170 PolarHBondContact O-N 3.13Å; N167-R170 PolarHBondContact OD1-NH1 3.46Å; N167-F171 PolarHBondContact O-N 3.05Å
168L96.2Very high89.2Confident1 Ų159 Ų591%0.00533%0.329CS..Hα-helixtrans-59-46.1171.1176.768.1000111.1L87 I108 C110 F123 V164 L165 R170 F171 I172 L196 L209L87-L168 HydrophobicContact CD1-CD1 3.84Å; L87-L168 HydrophobicContact CD1-CD2 4.22Å; I108-L168 HydrophobicContact CD1-CD2 3.92Å; C110-L168 HydrophobicContact CB-CD1 3.93Å; F123-L168 HydrophobicContact CD1-CD1 3.84Å; F123-L168 HydrophobicContact CE1-CB 3.89Å; F123-L168 HydrophobicContact CE1-CD1 3.95Å; F123-L168 HydrophobicContact CZ-CB 4.18Å; V164-L168 PolarHBondContact O-N 3.41Å; L165-L168 HydrophobicContact CD1-CD2 4.28Å; L165-L168 WeakPolarHBondContact O-CB 3.46Å; L165-L168 PolarHBondContact O-N 2.98Å; L168-R170 VanDerWaalsContact C-N 3.34Å; L168-R170 PolarHBondContact O-N 3.26Å; L168-F171 WeakPolarHBondContact O-CB 3.38Å; L168-F171 PolarHBondContact O-N 3.25Å; L168-F171 VanDerWaalsContact O-N 3.09Å; L168-I172 HydrophobicContact CD1-CG2 4.02Å; L168-I172 WeakPolarHBondContact O-CG1 3.48Å; L168-I172 PolarHBondContact O-N 3.16Å; L168-L196 HydrophobicContact CD2-CD2 3.95Å; L168-L209 HydrophobicContact CD2-CD1 4.47Å
169Y94.3Very high88.9Confident9 Ų962.2 Ų62.24%0.03534%0.336CS..Hα-helixtrans-58.8-43.7178-68.7-23000112.6L165 Q166 N167 F171 I172 H173 W179 I205 Q207 L209L165-Y169 HydrophobicContact CD1-CD1 4.46Å; L165-Y169 HydrophobicContact CD1-CE1 3.8Å; L165-Y169 HydrophobicContact CD1-CE2 4.33Å; L165-Y169 HydrophobicContact CD2-CE2 4.04Å; L165-Y169 HydrophobicContact CG-CD2 4.34Å; L165-Y169 HydrophobicContact CG-CE1 4.1Å; L165-Y169 HydrophobicContact CG-CE2 3.71Å; L165-Y169 PolarHBondContact O-N 3.48Å; Q166-Y169 PolarHBondContact O-N 2.97Å; N167-Y169 VanDerWaalsContact C-N 3.34Å; N167-Y169 PolarHBondContact O-N 2.86Å; Y169-F171 VanDerWaalsContact C-N 3.28Å; Y169-F171 PolarHBondContact O-N 3.2Å; Y169-I172 HydrophobicContact CD1-CD1 4.33Å; Y169-I172 PolarHBondContact O-N 3.04Å; Y169-H173 PolarHBondContact O-N 3.32Å; Y169-W179 HydrophobicContact CD1-CH2 4.27Å; Y169-W179 AromaticContact CD1-CZ3 3.93Å; Y169-W179 HydrophobicContact CD1-CZ3 3.93Å; Y169-W179 HydrophobicContact CG-CH2 4.1Å; Y169-W179 HydrophobicContact CG-CZ3 4.17Å; Y169-I205 HydrophobicContact CD2-CG2 4.2Å; Y169-I205 HydrophobicContact CE2-CG2 4.16Å; Y169-Q207 HydrophobicContact CD2-CG 4.49Å; Y169-Q207 HydrophobicContact CE1-CB 4.03Å; Y169-Q207 HydrophobicContact CE2-CB 4.31Å; Y169-Q207 HydrophobicContact CE2-CG 4.19Å; Y169-Q207 PolarHBondContact OH-N 2.81Å; Y169-Q207 PolarHBondContact OH-O 2.93Å; Y169-L209 HydrophobicContact CD1-CD1 4.35Å; Y169-L209 HydrophobicContact CD1-CD2 4.38Å; Y169-L209 HydrophobicContact CE1-CD1 3.84Å; Y169-L209 HydrophobicContact CE1-CD2 4.06Å; Y169-L209 HydrophobicContact CE1-CG 3.99Å
170R93.3Very high88.6Confident155 Ų15558.5 Ų58.559%0.58532%0.321SS*.Hα-helixtrans-62.7-35.6174.5-70.6173.7-179.2155.3-2.3112.5Q166 N167 L168Q166-R170 WeakPolarHBondContact O-CG 3.31Å; Q166-R170 PolarHBondContact O-N 3.08Å; Q166-R170 VanDerWaalsContact O-N 3.1Å; N167-R170 PolarHBondContact O-N 3.13Å; N167-R170 PolarHBondContact OD1-NH1 3.46Å; L168-R170 VanDerWaalsContact C-N 3.34Å; L168-R170 PolarHBondContact O-N 3.26Å
171F95.6Very high88.6Confident40 Ų4055.4 Ų55.418%0.17531%0.306CS..Hα-helixtrans-69.4-46.4178.7176.8-101000112.6Y85 C110 K112 A121 F123 N167 L168 Y169Y85-F171 HydrophobicContact CD1-CE1 4.11Å; Y85-F171 HydrophobicContact CE1-CE1 4.26Å; C110-F171 HydrophobicContact CB-CD1 4.23Å; C110-F171 HydrophobicContact CB-CE1 3.97Å; K112-F171 HydrophobicContact CB-CE1 4.34Å; K112-F171 HydrophobicContact CB-CZ 3.92Å; A121-F171 HydrophobicContact CB-CE2 3.79Å; A121-F171 HydrophobicContact CB-CZ 4.13Å; F123-F171 HydrophobicContact CB-CB 4.22Å; F123-F171 HydrophobicContact CB-CD1 3.72Å; F123-F171 HydrophobicContact CB-CD2 3.72Å; F123-F171 HydrophobicContact CB-CE1 3.93Å; F123-F171 HydrophobicContact CB-CE2 3.91Å; F123-F171 HydrophobicContact CB-CG 3.61Å; F123-F171 HydrophobicContact CB-CZ 4.02Å; F123-F171 HydrophobicContact CG-CB 4.42Å; F123-F171 HydrophobicContact CG-CD1 4.48Å; F123-F171 HydrophobicContact CG-CG 4.3Å; N167-F171 PolarHBondContact O-N 3.05Å; L168-F171 WeakPolarHBondContact O-CB 3.38Å; L168-F171 PolarHBondContact O-N 3.25Å; L168-F171 VanDerWaalsContact O-N 3.09Å; Y169-F171 VanDerWaalsContact C-N 3.28Å; Y169-F171 PolarHBondContact O-N 3.2Å
172I92.9Very high88.7Confident2 Ų254.4 Ų54.41%0.0130%0.302CS..Hα-helixtrans-80.6-23.8-176.767.5-178.3000113.4Y85 L168 Y169 W179 P180 I182 L209Y85-I172 HydrophobicContact CD1-CB 4.25Å; Y85-I172 HydrophobicContact CD1-CG2 3.81Å; Y85-I172 HydrophobicContact CE1-CB 4.2Å; Y85-I172 HydrophobicContact CE1-CG2 4.17Å; Y85-I172 HydrophobicContact CG-CG2 4.21Å; Y85-I172 PolarHBondContact OH-O 3.26Å; L168-I172 HydrophobicContact CD1-CG2 4.02Å; L168-I172 WeakPolarHBondContact O-CG1 3.48Å; L168-I172 PolarHBondContact O-N 3.16Å; Y169-I172 HydrophobicContact CD1-CD1 4.33Å; Y169-I172 PolarHBondContact O-N 3.04Å; I172-W179 HydrophobicContact CD1-CE3 3.97Å; I172-W179 HydrophobicContact CD1-CZ3 3.95Å; I172-W179 HydrophobicContact CG1-CE3 4.18Å; I172-W179 HydrophobicContact CG1-CZ3 3.95Å; I172-P180 HydrophobicContact CB-CG 4.37Å; I172-P180 WeakPolarHBondContact O-CG 3.38Å; I172-I182 HydrophobicContact CD1-CG2 4.49Å; I172-L209 HydrophobicContact CD1-CD1 3.88Å; I172-L209 HydrophobicContact CD1-CD2 3.62Å; I172-L209 HydrophobicContact CD1-CG 4.43Å
173H87.1Confident88.9Confident40 Ų4054.5 Ų54.519%0.18530%0.297CS..  trans-137.669.5-175.1-168.9-94.2000111.5Y169 N175 G177 W179Y169-H173 PolarHBondContact O-N 3.32Å; H173-N175 VanDerWaalsContact C-N 3.33Å; H173-N175 PolarHBondContact CE1-O 3.38Å; H173-N175 PolarHBondContact ND1-O 3.29Å; H173-N175 PolarHBondContact NE2-O 2.78Å; H173-N175 VanDerWaalsContact NE2-O 3.15Å; H173-N175 PolarHBondContact O-N 2.92Å; H173-G177 PolarHBondContact CE1-N 3.15Å; H173-G177 PolarHBondContact NE2-N 3.19Å; H173-G177 VanDerWaalsContact NE2-N 3.16Å; H173-G177 PolarHBondContact NE2-O 3.35Å; H173-W179 HydrophobicContact CB-CD2 4.39Å; H173-W179 HydrophobicContact CB-CE3 3.76Å; H173-W179 HydrophobicContact CB-CH2 3.98Å; H173-W179 HydrophobicContact CB-CZ3 3.54Å
174P74.4Confident89Confident84 Ų8451 Ų5155%0.54528%0.276SS..  trans-73.6-22.5-177.829.1-35.3000113.6
175N73.7Confident89Confident119 Ų11952.7 Ų52.764%0.63628%0.283SS*.SBendtrans-121.4154.9-176.9-66.9-38.4000111.1H173 G177H173-N175 VanDerWaalsContact C-N 3.33Å; H173-N175 PolarHBondContact CE1-O 3.38Å; H173-N175 PolarHBondContact ND1-O 3.29Å; H173-N175 PolarHBondContact NE2-O 2.78Å; H173-N175 VanDerWaalsContact NE2-O 3.15Å; H173-N175 PolarHBondContact O-N 2.92Å; N175-G177 PolarHBondContact O-N 3.43Å
176P63.4Low89Confident137 Ų13754 Ų5489%0.8929%0.292SS*.SBendtrans-60.7121.9174.8-16.329.1000110.9
177G71.4Confident89Confident53 Ų5357 Ų5755%0.54631%0.31SS..SBendtrans-178.3-162.3-178.200000112.3H173 N175H173-G177 PolarHBondContact CE1-N 3.15Å; H173-G177 PolarHBondContact NE2-N 3.19Å; H173-G177 VanDerWaalsContact NE2-N 3.16Å; H173-G177 PolarHBondContact NE2-O 3.35Å; N175-G177 PolarHBondContact O-N 3.43Å
178N80.7Confident89.1Confident158 Ų15855.4 Ų55.485%0.84530%0.301SS*.PPolyproline II helixtrans-81.9141171.6-69.2-23.6000109.8
179W88Confident89.1Confident83 Ų8360.8 Ų60.831%0.31432%0.321SS..PPolyproline II helixtrans-61.9122.9171.6-69.892.7000110Y169 I172 H173 Q207 L209Y169-W179 HydrophobicContact CD1-CH2 4.27Å; Y169-W179 AromaticContact CD1-CZ3 3.93Å; Y169-W179 HydrophobicContact CD1-CZ3 3.93Å; Y169-W179 HydrophobicContact CG-CH2 4.1Å; Y169-W179 HydrophobicContact CG-CZ3 4.17Å; I172-W179 HydrophobicContact CD1-CE3 3.97Å; I172-W179 HydrophobicContact CD1-CZ3 3.95Å; I172-W179 HydrophobicContact CG1-CE3 4.18Å; I172-W179 HydrophobicContact CG1-CZ3 3.95Å; H173-W179 HydrophobicContact CB-CD2 4.39Å; H173-W179 HydrophobicContact CB-CE3 3.76Å; H173-W179 HydrophobicContact CB-CH2 3.98Å; H173-W179 HydrophobicContact CB-CZ3 3.54Å; W179-Q207 HydrophobicContact CH2-CB 4.37Å; W179-Q207 HydrophobicContact CH2-CG 3.77Å; W179-Q207 HydrophobicContact CZ2-CB 4.16Å; W179-Q207 VanDerWaalsContact CZ2-CD 3.44Å; W179-Q207 HydrophobicContact CZ2-CG 3.39Å; W179-Q207 HydrophobicContact CZ3-CG 4.47Å; W179-L209 HydrophobicContact CD2-CD2 4.37Å; W179-L209 HydrophobicContact CE3-CD2 3.71Å; W179-L209 HydrophobicContact CZ3-CD2 4.24Å
180P91.2Very high89.2Confident25 Ų2564.9 Ų64.916%0.16235%0.347CS..PPolyproline II helixtrans-72.2151.5179.230.5-34.5000110.5Y85 I172Y85-P180 HydrophobicContact CD2-CB 3.8Å; Y85-P180 HydrophobicContact CD2-CG 3.67Å; Y85-P180 HydrophobicContact CE2-CB 3.68Å; Y85-P180 HydrophobicContact CE2-CG 3.4Å; Y85-P180 VanDerWaalsContact CE2-CG 3.4Å; I172-P180 HydrophobicContact CB-CG 4.37Å; I172-P180 WeakPolarHBondContact O-CG 3.38Å
181P93.2Very high89.3Confident34 Ų3458.7 Ų58.722%0.22132%0.324CS..PPolyproline II helixtrans-62.7145.9167.726.7-32.5000110.5Y183 Q210 L212P181-Y183 HydrophobicContact CB-CE2 3.95Å; P181-Y183 HydrophobicContact CG-CE2 3.84Å; P181-Y183 WeakPolarHBondContact CG-OH 3.33Å; P181-Q210 WeakPolarHBondContact CA-O 3.48Å; P181-L212 HydrophobicContact CB-CD1 3.86Å; P181-L212 HydrophobicContact CB-CG 4.38Å
182I96.4Very high89.5Confident0 Ų056.8 Ų56.80%032%0.316CS..EExtended strand (participates in β ladder)trans-111147.717154.5164.4000109.1L87 I172 L196 L209 Q210 L211 L212L87-I182 HydrophobicContact CD2-CD1 3.67Å; I172-I182 HydrophobicContact CD1-CG2 4.49Å; I182-L196 HydrophobicContact CD1-CD1 3.51Å; I182-L209 HydrophobicContact CD1-CB 3.93Å; I182-L209 HydrophobicContact CD1-CD1 3.86Å; I182-L209 HydrophobicContact CG1-CB 4.28Å; I182-Q210 WeakPolarHBondContact CG1-O 3.37Å; I182-Q210 PolarHBondContact N-O 2.93Å; I182-L211 HydrophobicContact CD1-CB 4.43Å; I182-L211 HydrophobicContact CD1-CD1 3.77Å; I182-L211 HydrophobicContact CG1-CB 4.32Å; I182-L211 HydrophobicContact CG1-CD1 3.8Å; I182-L211 WeakPolarHBondContact O-CA 3.39Å; I182-L212 PolarHBondContact O-N 3.08Å
183Y98.1Very high89.6Confident24 Ų2459.1 Ų59.19%0.09433%0.328CS..EExtended strand (participates in β ladder)trans-125.3134.1-171.8-61.6-94.8000110.5F84 Y85 F86 L87 P181 L212 L217F84-Y183 AromaticContact CD1-CE2 3.94Å; F84-Y183 HydrophobicContact CD1-CE2 3.94Å; Y85-Y183 PolarHBondContact O-N 3.41Å; F86-Y183 CarbonylContact C-O 3.56Å; F86-Y183 WeakPolarHBondContact CA-O 3.34Å; L87-Y183 PolarHBondContact N-O 3.5Å; P181-Y183 HydrophobicContact CB-CE2 3.95Å; P181-Y183 HydrophobicContact CG-CE2 3.84Å; P181-Y183 WeakPolarHBondContact CG-OH 3.33Å; Y183-L212 WeakPolarHBondContact CA-O 3.48Å; Y183-L212 HydrophobicContact CD1-CB 3.71Å; Y183-L212 HydrophobicContact CE1-CB 3.71Å; Y183-L212 HydrophobicContact CE1-CD1 3.83Å; Y183-L212 HydrophobicContact CE1-CG 4.38Å; Y183-L217 HydrophobicContact CD1-CB 3.86Å; Y183-L217 HydrophobicContact CD1-CD2 4.05Å; Y183-L217 HydrophobicContact CD1-CG 4.45Å; Y183-L217 HydrophobicContact CE1-CB 3.78Å; Y183-L217 HydrophobicContact CE1-CD1 4.13Å; Y183-L217 HydrophobicContact CE1-CD2 4.11Å; Y183-L217 HydrophobicContact CE1-CG 4.22Å; Y183-L217 HydrophobicContact CG-CD2 4.27Å
184C97.9Very high90Very high0 Ų060 Ų600%033%0.33CS..EExtended strand (participates in β ladder)trans-132.9167.6170.472.20000110.5L87 R189 V192 L211 L212 T213 V214L87-C184 WeakPolarHBondContact O-CB 3.07Å; C184-R189 WeakPolarHBondContact SG-CA 3.46Å; C184-V192 HydrophobicContact CB-CG2 4.26Å; C184-L211 HydrophobicContact CB-CD1 4.19Å; C184-L212 PolarHBondContact N-O 3.24Å; C184-L212 VanDerWaalsContact N-O 3.1Å; C184-T213 CarbonylContact O-C 3.56Å; C184-T213 VanDerWaalsContact O-CA 3.27Å; C184-T213 WeakPolarHBondContact O-CA 3.44Å; C184-V214 PolarHBondContact O-N 3.27Å
185K96.8Very high91Very high36 Ų3656 Ų5616%0.15730%0.304CS..  trans-63.3151.7172-59.5-160.5-61.7176.10110.7D187 D188 R189 L239 D240 I271K185-D187 PolarHBondContact O-N 3Å; K185-D188 WeakPolarHBondContact CE-OD2 3.29Å; K185-D188 PolarHBondContact O-N 3.01Å; K185-R189 PolarHBondContact O-N 3.27Å; K185-L239 HydrophobicContact CD-CB 4.25Å; K185-D240 IonicContact NZ-OD1 3.35Å; K185-D240 PolarHBondContact NZ-OD1 3.5Å; K185-I271 HydrophobicContact CG-CD1 3.97Å; K185-I271 HydrophobicContact CG-CG1 4.33Å
186S95.6Very high92.1Very high27 Ų2751.1 Ų51.119%0.18928%0.278CS..THydrogen-bonded Turntrans-58.1-36.4-179.168.10000112.6D188 R189 E215 R236S186-D188 VanDerWaalsContact C-N 3.29Å; S186-D188 PolarHBondContact O-N 3.38Å; S186-R189 WeakPolarHBondContact O-CB 3.33Å; S186-R189 PolarHBondContact O-N 3.3Å; S186-E215 PolarHBondContact N-OE1 3.43Å; S186-E215 PolarHBondContact N-OE2 3.21Å; S186-E215 PolarHBondContact OG-OE1 3.29Å; S186-R236 PolarHBondContact OG-NE 3.4Å; S186-R236 PolarHBondContact OG-NH2 3.4Å
187D94.3Very high93.5Very high109 Ų10950.2 Ų50.258%0.58326%0.26SS*.THydrogen-bonded Turntrans-73.6-25.6-174.6-60.8-1.2000111.8K185K185-D187 PolarHBondContact O-N 3Å
188D96.1Very high94.5Very high27 Ų2749.9 Ų49.914%0.14424%0.244CC..THydrogen-bonded Turntrans-90.8-13.8179-68.4-51.6000112.9K185 S186 T190 R191 V192K185-D188 WeakPolarHBondContact CE-OD2 3.29Å; K185-D188 PolarHBondContact O-N 3.01Å; S186-D188 VanDerWaalsContact C-N 3.29Å; S186-D188 PolarHBondContact O-N 3.38Å; D188-T190 PolarHBondContact O-N 3.31Å; D188-R191 PolarHBondContact O-N 3.5Å; D188-R191 VanDerWaalsContact O-N 3.12Å; D188-R191 IonicContact OD1-CZ 3.51Å; D188-R191 IonicContact OD1-NH2 3.94Å; D188-R191 PolarHBondContact OD1-NH2 3.12Å; D188-V192 HydrophobicContact CB-CG2 4.21Å; D188-V192 WeakPolarHBondContact O-CG2 3.39Å; D188-V192 PolarHBondContact O-N 3.16Å
189R96.4Very high95.1Very high114 Ų11442.4 Ų42.443%0.4320%0.204SC..Hα-helixtrans-57.3-43.7-168.5-175.3175.1177.2-92.50.9113.7C184 K185 S186 R191 N193 L211C184-R189 WeakPolarHBondContact SG-CA 3.46Å; K185-R189 PolarHBondContact O-N 3.27Å; S186-R189 WeakPolarHBondContact O-CB 3.33Å; S186-R189 PolarHBondContact O-N 3.3Å; R189-R191 VanDerWaalsContact C-N 3.33Å; R189-R191 PolarHBondContact O-N 3.07Å; R189-N193 WeakPolarHBondContact O-CB 3.47Å; R189-N193 PolarHBondContact O-N 3.14Å; R189-L211 HydrophobicContact CG-CD2 3.96Å
190T96Very high95.3Very high95 Ų9539.1 Ų39.158%0.58319%0.194SC*.Hα-helixtrans-59.8-46.3179.8-60.40000110.9F103 D188 W194F103-T190 HydrophobicContact CE2-CG2 4.32Å; F103-T190 HydrophobicContact CZ-CG2 4.28Å; D188-T190 PolarHBondContact O-N 3.31Å; T190-W194 VanDerWaalsContact O-CB 3.3Å; T190-W194 WeakPolarHBondContact O-CB 3.39Å; T190-W194 PolarHBondContact O-N 3.36Å; T190-W194 VanDerWaalsContact O-N 3.09Å
191R97Very high95.1Very high26 Ų2645.3 Ų45.310%0.09822%0.219CC..Hα-helixtrans-68.8-48.1-179.8-176.5-1784954.7-5.1111.6N88 I89 S91 F103 D188 R189 W194 C195N88-R191 PolarHBondContact OD1-NH2 2.9Å; I89-R191 PolarHBondContact O-NH1 3.47Å; I89-R191 PolarHBondContact O-NH2 3.27Å; S91-R191 WeakPolarHBondContact OG-CD 3.41Å; F103-R191 HydrophobicContact CB-CG 4.43Å; F103-R191 HydrophobicContact CD1-CB 4.11Å; F103-R191 HydrophobicContact CD1-CG 3.56Å; F103-R191 HydrophobicContact CD2-CB 4.48Å; F103-R191 HydrophobicContact CD2-CG 4.32Å; F103-R191 HydrophobicContact CE1-CB 3.77Å; F103-R191 HydrophobicContact CE1-CG 3.74Å; F103-R191 HydrophobicContact CE2-CB 4.19Å; F103-R191 HydrophobicContact CE2-CG 4.49Å; F103-R191 HydrophobicContact CG-CB 4.44Å; F103-R191 HydrophobicContact CG-CG 3.86Å; F103-R191 HydrophobicContact CZ-CB 3.83Å; F103-R191 HydrophobicContact CZ-CG 4.22Å; D188-R191 PolarHBondContact O-N 3.5Å; D188-R191 VanDerWaalsContact O-N 3.12Å; D188-R191 IonicContact OD1-CZ 3.51Å; D188-R191 IonicContact OD1-NH2 3.94Å; D188-R191 PolarHBondContact OD1-NH2 3.12Å; R189-R191 VanDerWaalsContact C-N 3.33Å; R189-R191 PolarHBondContact O-N 3.07Å; R191-W194 PolarHBondContact O-N 3.46Å; R191-C195 WeakPolarHBondContact O-CB 3.44Å; R191-C195 PolarHBondContact O-N 3.42Å; R191-C195 PolarHBondContact O-SG 3.07Å
192V97.8Very high94.4Very high0 Ų046.8 Ų46.80%023%0.234CC..Hα-helixtrans-60.3-49.8179.5173.80000111L87 I89 C184 D188 W194 C195 L196 L211L87-V192 HydrophobicContact CD2-CG1 3.85Å; I89-V192 HydrophobicContact CB-CG2 4.39Å; I89-V192 HydrophobicContact CD1-CG1 4.36Å; C184-V192 HydrophobicContact CB-CG2 4.26Å; D188-V192 HydrophobicContact CB-CG2 4.21Å; D188-V192 WeakPolarHBondContact O-CG2 3.39Å; D188-V192 PolarHBondContact O-N 3.16Å; V192-W194 VanDerWaalsContact C-N 3.34Å; V192-W194 PolarHBondContact O-N 2.96Å; V192-C195 PolarHBondContact O-N 3.19Å; V192-L196 HydrophobicContact CG1-CD1 3.98Å; V192-L196 HydrophobicContact CG1-CG 4.44Å; V192-L196 WeakPolarHBondContact O-CG 3.4Å; V192-L196 PolarHBondContact O-N 3.35Å; V192-L211 HydrophobicContact CB-CD2 4.16Å; V192-L211 HydrophobicContact CG1-CD1 3.99Å; V192-L211 HydrophobicContact CG1-CD2 3.87Å
193N96.1Very high93.5Very high50 Ų5047.4 Ų47.427%0.26724%0.238SC..Hα-helixtrans-59.3-44.5178.6-177.356.4000112.1R189 K197 L211R189-N193 WeakPolarHBondContact O-CB 3.47Å; R189-N193 PolarHBondContact O-N 3.14Å; N193-K197 WeakPolarHBondContact O-CG 3.44Å; N193-K197 PolarHBondContact O-N 2.82Å; N193-K197 VanDerWaalsContact O-N 3.11Å; N193-K197 WeakPolarHBondContact OD1-CE 3.49Å; N193-L211 HydrophobicContact CB-CD2 3.73Å
194W95.5Very high92.5Very high60 Ų6055.8 Ų55.823%0.22728%0.278CS..Hα-helixtrans-63.5-47178.6-172.6100.8000111.2E100 R102 F103 T190 R191 V192 L196 K197 H198E100-W194 WeakPolarHBondContact O-CZ2 3.44Å; R102-W194 HydrophobicContact CB-CD2 4.36Å; R102-W194 HydrophobicContact CB-CZ2 4.08Å; F103-W194 HydrophobicContact CB-CD2 4.42Å; F103-W194 HydrophobicContact CB-CE3 3.72Å; F103-W194 HydrophobicContact CB-CZ3 3.94Å; F103-W194 HydrophobicContact CD2-CB 3.67Å; F103-W194 AromaticContact CD2-CD2 3.72Å; F103-W194 HydrophobicContact CD2-CD2 3.72Å; F103-W194 AromaticContact CD2-CE3 3.82Å; F103-W194 HydrophobicContact CD2-CE3 3.82Å; F103-W194 AromaticContact CD2-CG 3.65Å; F103-W194 HydrophobicContact CD2-CG 3.65Å; F103-W194 HydrophobicContact CE2-CB 3.87Å; F103-W194 HydrophobicContact CE2-CG 4.1Å; F103-W194 HydrophobicContact CG-CE3 4.28Å; F103-W194 WeakPolarHBondContact O-CH2 3.33Å; F103-W194 WeakPolarHBondContact O-CZ3 3.4Å; T190-W194 VanDerWaalsContact O-CB 3.3Å; T190-W194 WeakPolarHBondContact O-CB 3.39Å; T190-W194 PolarHBondContact O-N 3.36Å; T190-W194 VanDerWaalsContact O-N 3.09Å; R191-W194 PolarHBondContact O-N 3.46Å; V192-W194 VanDerWaalsContact C-N 3.34Å; V192-W194 PolarHBondContact O-N 2.96Å; W194-L196 PolarHBondContact O-N 3.11Å; W194-K197 PolarHBondContact O-N 2.86Å; W194-H198 HydrophobicContact CD2-CB 4.35Å; W194-H198 HydrophobicContact CE3-CB 3.83Å; W194-H198 HydrophobicContact CH2-CB 3.78Å; W194-H198 AromaticContact CH2-CE1 3.89Å; W194-H198 AromaticContact CH2-CG 3.45Å; W194-H198 VanDerWaalsContact CH2-CG 3.45Å; W194-H198 AromaticContact CH2-ND1 3.31Å; W194-H198 VanDerWaalsContact CH2-ND1 3.31Å; W194-H198 WeakPolarHBondContact CH2-ND1 3.35Å; W194-H198 HydrophobicContact CZ2-CB 4.31Å; W194-H198 AromaticContact CZ2-ND1 3.83Å; W194-H198 HydrophobicContact CZ3-CB 3.49Å; W194-H198 VanDerWaalsContact CZ3-CB 3.49Å; W194-H198 AromaticContact CZ3-CG 3.53Å; W194-H198 AromaticContact CZ3-ND1 3.91Å; W194-H198 VanDerWaalsContact O-CB 3.29Å; W194-H198 WeakPolarHBondContact O-CB 3.15Å; W194-H198 PolarHBondContact O-N 3.47Å
195C95.9Very high91.3Very high0 Ų059.3 Ų59.30%030%0.296CS..Hα-helixtrans-62.4-43.8-179.7-70.30000111.9I89 P105 R191 V192 K197 H198 M199I89-C195 HydrophobicContact CD1-CB 3.62Å; I89-C195 HydrophobicContact CG2-CB 3.88Å; P105-C195 HydrophobicContact CB-CB 4.31Å; R191-C195 WeakPolarHBondContact O-CB 3.44Å; R191-C195 PolarHBondContact O-N 3.42Å; R191-C195 PolarHBondContact O-SG 3.07Å; V192-C195 PolarHBondContact O-N 3.19Å; C195-K197 PolarHBondContact O-N 3.28Å; C195-H198 PolarHBondContact O-N 3.13Å; C195-M199 WeakPolarHBondContact O-CB 3.48Å; C195-M199 WeakPolarHBondContact O-CG 3.32Å; C195-M199 PolarHBondContact O-N 2.62Å
196L95.5Very high90.2Very high15 Ų1566 Ų668%0.07932%0.321CS..Hα-helixtrans-58.7-48176.1-73.1172.9000111.7L87 I89 L165 L168 I182 V192 W194 H198 A200 L209L87-L196 HydrophobicContact CD2-CD1 3.84Å; L87-L196 HydrophobicContact CD2-CD2 4.04Å; L87-L196 HydrophobicContact CD2-CG 4.28Å; I89-L196 HydrophobicContact CD1-CD2 4.19Å; I89-L196 HydrophobicContact CD1-CG 4.1Å; L165-L196 HydrophobicContact CD1-CD2 4.2Å; L168-L196 HydrophobicContact CD2-CD2 3.95Å; I182-L196 HydrophobicContact CD1-CD1 3.51Å; V192-L196 HydrophobicContact CG1-CD1 3.98Å; V192-L196 HydrophobicContact CG1-CG 4.44Å; V192-L196 WeakPolarHBondContact O-CG 3.4Å; V192-L196 PolarHBondContact O-N 3.35Å; W194-L196 PolarHBondContact O-N 3.11Å; L196-H198 VanDerWaalsContact C-N 3.34Å; L196-H198 PolarHBondContact O-N 3.36Å; L196-A200 VanDerWaalsContact O-CB 3.29Å; L196-A200 WeakPolarHBondContact O-CB 3.47Å; L196-A200 PolarHBondContact O-N 3.49Å; L196-L209 HydrophobicContact CD2-CD1 4.42Å
197K93.4Very high89.6Confident119 Ų11968 Ų6852%0.51733%0.327SS..Hα-helixtrans-65.2-37.7177.8-70.8-176-179.7-165.40112.3N193 W194 C195 K201N193-K197 WeakPolarHBondContact O-CG 3.44Å; N193-K197 PolarHBondContact O-N 2.82Å; N193-K197 VanDerWaalsContact O-N 3.11Å; N193-K197 WeakPolarHBondContact OD1-CE 3.49Å; W194-K197 PolarHBondContact O-N 2.86Å; C195-K197 PolarHBondContact O-N 3.28Å; K197-K201 PolarHBondContact O-N 3.13Å
198H92.6Very high89.1Confident46 Ų4669.9 Ų69.921%0.21334%0.337CS..Hα-helixtrans-66.6-51178-178.684000111.2Q161 W194 C195 L196 A200 K201Q161-H198 PolarHBondContact OE1-CD2 2.89Å; Q161-H198 VanDerWaalsContact OE1-CD2 3.25Å; W194-H198 HydrophobicContact CD2-CB 4.35Å; W194-H198 HydrophobicContact CE3-CB 3.83Å; W194-H198 HydrophobicContact CH2-CB 3.78Å; W194-H198 AromaticContact CH2-CE1 3.89Å; W194-H198 AromaticContact CH2-CG 3.45Å; W194-H198 VanDerWaalsContact CH2-CG 3.45Å; W194-H198 AromaticContact CH2-ND1 3.31Å; W194-H198 VanDerWaalsContact CH2-ND1 3.31Å; W194-H198 WeakPolarHBondContact CH2-ND1 3.35Å; W194-H198 HydrophobicContact CZ2-CB 4.31Å; W194-H198 AromaticContact CZ2-ND1 3.83Å; W194-H198 HydrophobicContact CZ3-CB 3.49Å; W194-H198 VanDerWaalsContact CZ3-CB 3.49Å; W194-H198 AromaticContact CZ3-CG 3.53Å; W194-H198 AromaticContact CZ3-ND1 3.91Å; W194-H198 VanDerWaalsContact O-CB 3.29Å; W194-H198 WeakPolarHBondContact O-CB 3.15Å; W194-H198 PolarHBondContact O-N 3.47Å; C195-H198 PolarHBondContact O-N 3.13Å; L196-H198 VanDerWaalsContact C-N 3.34Å; L196-H198 PolarHBondContact O-N 3.36Å; H198-A200 PolarHBondContact O-N 3.35Å; H198-K201 WeakPolarHBondContact O-CB 3.31Å; H198-K201 PolarHBondContact O-N 3.42Å
199M92.9Very high88.8Confident0 Ų069.5 Ų69.50%034%0.335CS..Hα-helixtrans-59.8-35.8177.4-68168.946.700111.6P105 I127 Q161 V164 L165 C195 K201 A202 S203P105-M199 HydrophobicContact CG-CG 4.48Å; I127-M199 HydrophobicContact CD1-CE 4.42Å; I127-M199 HydrophobicContact CD1-SD 4.05Å; Q161-M199 HydrophobicContact CB-CB 4.43Å; Q161-M199 HydrophobicContact CB-CG 4.03Å; Q161-M199 HydrophobicContact CG-CG 4.26Å; V164-M199 HydrophobicContact CB-CE 4.29Å; V164-M199 HydrophobicContact CG1-CE 4.07Å; L165-M199 HydrophobicContact CB-CB 4.46Å; L165-M199 HydrophobicContact CB-CE 3.82Å; L165-M199 HydrophobicContact CD1-CE 4.21Å; L165-M199 HydrophobicContact CD2-CB 4.1Å; C195-M199 WeakPolarHBondContact O-CB 3.48Å; C195-M199 WeakPolarHBondContact O-CG 3.32Å; C195-M199 PolarHBondContact O-N 2.62Å; M199-K201 PolarHBondContact O-N 3.02Å; M199-A202 PolarHBondContact O-N 3.48Å; M199-S203 PolarHBondContact O-N 3.33Å
200A92Very high88.7Confident14 Ų1469.7 Ų69.712%0.11634%0.341CS..Hα-helixtrans-67-21.3177.100000113.8L165 L196 H198 A202 S203L165-A200 VanDerWaalsContact CD2-CA 3.41Å; L165-A200 HydrophobicContact CD2-CB 3.82Å; L196-A200 VanDerWaalsContact O-CB 3.29Å; L196-A200 WeakPolarHBondContact O-CB 3.47Å; L196-A200 PolarHBondContact O-N 3.49Å; H198-A200 PolarHBondContact O-N 3.35Å; A200-A202 VanDerWaalsContact C-N 3.29Å; A200-S203 PolarHBondContact O-N 3.21Å
201K88.3Confident88.7Confident155 Ų15565.8 Ų65.867%0.67432%0.316SS*.Hα-helixtrans-68-32.2174.2-68.1176.4-179.3-176.20112.1K197 H198 M199K197-K201 PolarHBondContact O-N 3.13Å; H198-K201 WeakPolarHBondContact O-CB 3.31Å; H198-K201 PolarHBondContact O-N 3.42Å; M199-K201 PolarHBondContact O-N 3.02Å
202A77.1Confident88.7Confident66 Ų6667.4 Ų67.455%0.54533%0.326SS..SBendtrans-86.2-7.8178.500000113.2M199 A200M199-A202 PolarHBondContact O-N 3.48Å; A200-A202 VanDerWaalsContact C-N 3.29Å
203S79.3Confident88.6Confident12 Ų1268.1 Ų68.18%0.08433%0.331CS..  trans-96.7139.2178.8-179.70000110.9M199 A200 I205M199-S203 PolarHBondContact O-N 3.33Å; A200-S203 PolarHBondContact O-N 3.21Å; S203-I205 VanDerWaalsContact C-N 3.26Å; S203-I205 WeakPolarHBondContact CB-O 3.5Å; S203-I205 PolarHBondContact OG-N 2.78Å; S203-I205 PolarHBondContact OG-O 2.57Å
204E75.6Confident88.6Confident201 Ų20165.7 Ų65.794%0.93932%0.318SS*.SBendtrans-67.3-32.4170.1-64.1179.1175.600111.2
205I72.5Confident88.6Confident73 Ų7363.1 Ų63.137%0.37431%0.308SS..SBendtrans-92.4114.5178-64.6164.7000108.1Y169 S203 Q207Y169-I205 HydrophobicContact CD2-CG2 4.2Å; Y169-I205 HydrophobicContact CE2-CG2 4.16Å; S203-I205 VanDerWaalsContact C-N 3.26Å; S203-I205 WeakPolarHBondContact CB-O 3.5Å; S203-I205 PolarHBondContact OG-N 2.78Å; S203-I205 PolarHBondContact OG-O 2.57Å; I205-Q207 HydrophobicContact CG2-CG 3.99Å
206R75.3Confident88.5Confident177 Ų17766.8 Ų66.867%0.66833%0.328SS*.  trans-106.7118.9174.3-66.3-174.4179.4-178.73.4109.6
207Q82.6Confident88.4Confident70 Ų7067 Ų6733%0.32733%0.329SS..  trans-124130173-60.3-63.4-2300108.5Y169 W179 I205 L209Y169-Q207 HydrophobicContact CD2-CG 4.49Å; Y169-Q207 HydrophobicContact CE1-CB 4.03Å; Y169-Q207 HydrophobicContact CE2-CB 4.31Å; Y169-Q207 HydrophobicContact CE2-CG 4.19Å; Y169-Q207 PolarHBondContact OH-N 2.81Å; Y169-Q207 PolarHBondContact OH-O 2.93Å; W179-Q207 HydrophobicContact CH2-CB 4.37Å; W179-Q207 HydrophobicContact CH2-CG 3.77Å; W179-Q207 HydrophobicContact CZ2-CB 4.16Å; W179-Q207 VanDerWaalsContact CZ2-CD 3.44Å; W179-Q207 HydrophobicContact CZ2-CG 3.39Å; W179-Q207 HydrophobicContact CZ3-CG 4.47Å; I205-Q207 HydrophobicContact CG2-CG 3.99Å; Q207-L209 HydrophobicContact CB-CD2 4.42Å; Q207-L209 PolarHBondContact O-N 2.8Å
208D82.8Confident88.3Confident147 Ų14761.5 Ų61.579%0.78631%0.305SS*.  trans-85.492.2177.1-164.827.4000108.8
209L90.3Very high88.1Confident19 Ų1959.8 Ų59.810%0.09930%0.298CS..  trans-74.2127.2178.9-60.3-173.9000110.1L168 Y169 I172 W179 I182 L196 Q207 L211L168-L209 HydrophobicContact CD2-CD1 4.47Å; Y169-L209 HydrophobicContact CD1-CD1 4.35Å; Y169-L209 HydrophobicContact CD1-CD2 4.38Å; Y169-L209 HydrophobicContact CE1-CD1 3.84Å; Y169-L209 HydrophobicContact CE1-CD2 4.06Å; Y169-L209 HydrophobicContact CE1-CG 3.99Å; I172-L209 HydrophobicContact CD1-CD1 3.88Å; I172-L209 HydrophobicContact CD1-CD2 3.62Å; I172-L209 HydrophobicContact CD1-CG 4.43Å; W179-L209 HydrophobicContact CD2-CD2 4.37Å; W179-L209 HydrophobicContact CE3-CD2 3.71Å; W179-L209 HydrophobicContact CZ3-CD2 4.24Å; I182-L209 HydrophobicContact CD1-CB 3.93Å; I182-L209 HydrophobicContact CD1-CD1 3.86Å; I182-L209 HydrophobicContact CG1-CB 4.28Å; L196-L209 HydrophobicContact CD2-CD1 4.42Å; Q207-L209 HydrophobicContact CB-CD2 4.42Å; Q207-L209 PolarHBondContact O-N 2.8Å; L209-L211 PolarHBondContact O-N 3.05Å; L209-L211 VanDerWaalsContact O-N 3.12Å
210Q93.4Very high88Confident119 Ų11961.2 Ų61.256%0.55631%0.313SS*.  trans-73105.3173.1-171-177.540.200110.1P181 I182 L212P181-Q210 WeakPolarHBondContact CA-O 3.48Å; I182-Q210 WeakPolarHBondContact CG1-O 3.37Å; I182-Q210 PolarHBondContact N-O 2.93Å; Q210-L212 HydrophobicContact CG-CD2 4.04Å; Q210-L212 HydrophobicContact CG-CG 4.14Å
211L96.1Very high87.8Confident13 Ų1361 Ų617%0.06831%0.31CS..EExtended strand (participates in β ladder)trans-93.9111.8176-175.270.3000112.2I182 C184 R189 V192 N193 L209I182-L211 HydrophobicContact CD1-CB 4.43Å; I182-L211 HydrophobicContact CD1-CD1 3.77Å; I182-L211 HydrophobicContact CG1-CB 4.32Å; I182-L211 HydrophobicContact CG1-CD1 3.8Å; I182-L211 WeakPolarHBondContact O-CA 3.39Å; C184-L211 HydrophobicContact CB-CD1 4.19Å; R189-L211 HydrophobicContact CG-CD2 3.96Å; V192-L211 HydrophobicContact CB-CD2 4.16Å; V192-L211 HydrophobicContact CG1-CD1 3.99Å; V192-L211 HydrophobicContact CG1-CD2 3.87Å; N193-L211 HydrophobicContact CB-CD2 3.73Å; L209-L211 PolarHBondContact O-N 3.05Å; L209-L211 VanDerWaalsContact O-N 3.12Å
212L97Very high87.7Confident60 Ų6055.1 Ų55.131%0.31428%0.284SS..EExtended strand (participates in β ladder)trans-109.1170.8177.7-57.9-178.7000111.3P181 I182 Y183 C184 Q210P181-L212 HydrophobicContact CB-CD1 3.86Å; P181-L212 HydrophobicContact CB-CG 4.38Å; I182-L212 PolarHBondContact O-N 3.08Å; Y183-L212 WeakPolarHBondContact CA-O 3.48Å; Y183-L212 HydrophobicContact CD1-CB 3.71Å; Y183-L212 HydrophobicContact CE1-CB 3.71Å; Y183-L212 HydrophobicContact CE1-CD1 3.83Å; Y183-L212 HydrophobicContact CE1-CG 4.38Å; C184-L212 PolarHBondContact N-O 3.24Å; C184-L212 VanDerWaalsContact N-O 3.1Å; Q210-L212 HydrophobicContact CG-CD2 4.04Å; Q210-L212 HydrophobicContact CG-CG 4.14Å
213T96.9Very high88.2Confident14 Ų1455.8 Ų55.89%0.08628%0.275CS..EExtended strand (participates in β ladder)trans-96.114517775.10000111.6C184 E215 D216 L217C184-T213 CarbonylContact O-C 3.56Å; C184-T213 VanDerWaalsContact O-CA 3.27Å; C184-T213 WeakPolarHBondContact O-CA 3.44Å; T213-E215 WeakPolarHBondContact CB-OE2 3.43Å; T213-E215 PolarHBondContact O-N 3.41Å; T213-D216 PolarHBondContact O-N 2.9Å; T213-D216 VanDerWaalsContact OG1-CB 3.31Å; T213-D216 WeakPolarHBondContact OG1-CB 3.47Å; T213-D216 PolarHBondContact OG1-N 2.89Å; T213-D216 PolarHBondContact OG1-OD2 3.25Å; T213-L217 PolarHBondContact O-N 3.27Å
214V96Very high88.4Confident0 Ų060 Ų600%029%0.294CS..Hα-helixtrans-63.3-35.2173.2176.10000110.2F86 C184 L217 V218 L239 I271 I275F86-V214 HydrophobicContact CD1-CG2 3.98Å; F86-V214 HydrophobicContact CE1-CG2 4.34Å; C184-V214 PolarHBondContact O-N 3.27Å; V214-L217 WeakPolarHBondContact O-CB 3.22Å; V214-L217 PolarHBondContact O-N 3.47Å; V214-V218 HydrophobicContact CG1-CG2 4.37Å; V214-V218 WeakPolarHBondContact O-CG2 3.36Å; V214-V218 PolarHBondContact O-N 2.84Å; V214-L239 HydrophobicContact CB-CD1 4.13Å; V214-L239 HydrophobicContact CG1-CD1 3.67Å; V214-L239 HydrophobicContact CG1-CD2 3.89Å; V214-L239 HydrophobicContact CG1-CG 4.45Å; V214-I271 HydrophobicContact CB-CG2 4.45Å; V214-I271 HydrophobicContact CG1-CG2 3.63Å; V214-I271 HydrophobicContact CG2-CD1 4.17Å; V214-I271 HydrophobicContact CG2-CG2 3.92Å; V214-I275 HydrophobicContact CG1-CD1 4.09Å
215E94.9Very high88.7Confident5 Ų552.7 Ų52.72%0.02326%0.259CS..Hα-helixtrans-60.8-46.8178.3-63.583.6165.900111.5S186 T213 L217 V218 V219 I235 R236 L239S186-E215 PolarHBondContact N-OE1 3.43Å; S186-E215 PolarHBondContact N-OE2 3.21Å; S186-E215 PolarHBondContact OG-OE1 3.29Å; T213-E215 WeakPolarHBondContact CB-OE2 3.43Å; T213-E215 PolarHBondContact O-N 3.41Å; E215-L217 VanDerWaalsContact C-N 3.31Å; E215-L217 PolarHBondContact O-N 3.22Å; E215-V218 PolarHBondContact O-N 3.26Å; E215-V219 WeakPolarHBondContact O-CG2 3.35Å; E215-V219 PolarHBondContact O-N 2.96Å; E215-I235 HydrophobicContact CB-CG2 4.38Å; E215-I235 HydrophobicContact CG-CG2 4.16Å; E215-R236 HydrophobicContact CG-CG 4.04Å; E215-L239 HydrophobicContact CG-CD1 4.27Å
216D93.4Very high89.3Confident77 Ų7752.2 Ų52.241%0.41225%0.254SS..Hα-helixtrans-66.6-34.8177.5-63.7-34.4000111.7T213 V219 G220 K232T213-D216 PolarHBondContact O-N 2.9Å; T213-D216 VanDerWaalsContact OG1-CB 3.31Å; T213-D216 WeakPolarHBondContact OG1-CB 3.47Å; T213-D216 PolarHBondContact OG1-N 2.89Å; T213-D216 PolarHBondContact OG1-OD2 3.25Å; D216-V219 PolarHBondContact O-N 3.02Å; D216-G220 PolarHBondContact O-N 3.01Å; D216-K232 WeakPolarHBondContact OD1-CE 3.19Å; D216-K232 IonicContact OD1-NZ 2.75Å; D216-K232 PolarHBondContact OD1-NZ 3.11Å
217L93.4Very high89.7Confident20 Ų2050.8 Ų50.811%0.10526%0.259CS..Hα-helixtrans-60.7-49.9173.2174.163.3000111.3F84 F86 Y183 T213 V214 E215 V219 G220 I221F84-L217 HydrophobicContact CD1-CD1 3.8Å; F84-L217 HydrophobicContact CD1-CD2 3.79Å; F84-L217 HydrophobicContact CD1-CG 4.46Å; F84-L217 HydrophobicContact CE1-CD1 3.43Å; F84-L217 VanDerWaalsContact CE1-CD1 3.43Å; F84-L217 HydrophobicContact CE1-CD2 4.25Å; F84-L217 HydrophobicContact CE1-CG 4.47Å; F84-L217 HydrophobicContact CG-CD2 4.15Å; F84-L217 HydrophobicContact CZ-CD1 4.15Å; F86-L217 HydrophobicContact CE1-CD2 3.72Å; F86-L217 HydrophobicContact CZ-CD2 4.14Å; Y183-L217 HydrophobicContact CD1-CB 3.86Å; Y183-L217 HydrophobicContact CD1-CD2 4.05Å; Y183-L217 HydrophobicContact CD1-CG 4.45Å; Y183-L217 HydrophobicContact CE1-CB 3.78Å; Y183-L217 HydrophobicContact CE1-CD1 4.13Å; Y183-L217 HydrophobicContact CE1-CD2 4.11Å; Y183-L217 HydrophobicContact CE1-CG 4.22Å; Y183-L217 HydrophobicContact CG-CD2 4.27Å; T213-L217 PolarHBondContact O-N 3.27Å; V214-L217 WeakPolarHBondContact O-CB 3.22Å; V214-L217 PolarHBondContact O-N 3.47Å; E215-L217 VanDerWaalsContact C-N 3.31Å; E215-L217 PolarHBondContact O-N 3.22Å; L217-V219 VanDerWaalsContact C-N 3.33Å; L217-V219 PolarHBondContact O-N 3.23Å; L217-G220 PolarHBondContact O-N 3.17Å; L217-G220 VanDerWaalsContact O-N 3.15Å; L217-I221 HydrophobicContact CD1-CD1 4.12Å; L217-I221 HydrophobicContact CD1-CG1 4.33Å; L217-I221 HydrophobicContact CG-CD1 4.03Å; L217-I221 WeakPolarHBondContact O-CG1 3.49Å; L217-I221 PolarHBondContact O-N 2.99Å
218V91.2Very high89.8Confident3 Ų354.2 Ų54.22%0.01827%0.273CS..Hα-helixtrans-63.3-41.2179.9175.60000110.6V214 E215 G220 I221 Y222 I235 I275V214-V218 HydrophobicContact CG1-CG2 4.37Å; V214-V218 WeakPolarHBondContact O-CG2 3.36Å; V214-V218 PolarHBondContact O-N 2.84Å; E215-V218 PolarHBondContact O-N 3.26Å; V218-G220 VanDerWaalsContact C-N 3.33Å; V218-G220 PolarHBondContact O-N 3.45Å; V218-I221 PolarHBondContact O-N 3.21Å; V218-Y222 HydrophobicContact CG1-CD2 3.81Å; V218-Y222 HydrophobicContact CG1-CE2 3.84Å; V218-Y222 WeakPolarHBondContact O-CD2 3.38Å; V218-Y222 PolarHBondContact O-N 3.31Å; V218-I235 HydrophobicContact CB-CD1 4.01Å; V218-I235 HydrophobicContact CB-CG1 4.39Å; V218-I235 HydrophobicContact CB-CG2 4Å; V218-I235 HydrophobicContact CG1-CD1 3.84Å; V218-I235 HydrophobicContact CG1-CG1 3.88Å; V218-I235 HydrophobicContact CG1-CG2 4.11Å; V218-I235 HydrophobicContact CG2-CG2 4.21Å; V218-I275 HydrophobicContact CG2-CD1 4.26Å; V218-I275 HydrophobicContact CG2-CG1 4.11Å
219V90.1Very high90.1Very high10 Ų1053.7 Ų53.76%0.06127%0.266CS..Hα-helixtrans-56-48.6172.3169.40000110.9E215 D216 L217 I221 Y222 Q223 E229 P230 K232 I235E215-V219 WeakPolarHBondContact O-CG2 3.35Å; E215-V219 PolarHBondContact O-N 2.96Å; D216-V219 PolarHBondContact O-N 3.02Å; L217-V219 VanDerWaalsContact C-N 3.33Å; L217-V219 PolarHBondContact O-N 3.23Å; V219-I221 PolarHBondContact O-N 2.83Å; V219-Y222 PolarHBondContact O-N 3.11Å; V219-Q223 HydrophobicContact CG1-CG 4.17Å; V219-Q223 WeakPolarHBondContact O-CB 3.44Å; V219-Q223 WeakPolarHBondContact O-CG 3.4Å; V219-Q223 PolarHBondContact O-N 3.09Å; V219-E229 HydrophobicContact CG1-CG 4.02Å; V219-P230 HydrophobicContact CG2-CG 4.23Å; V219-K232 HydrophobicContact CG2-CG 4.3Å; V219-I235 HydrophobicContact CG2-CD1 3.47Å; V219-I235 VanDerWaalsContact CG2-CD1 3.47Å
220G89.6Confident89.9Confident31 Ų3153.7 Ų53.732%0.3227%0.267SS..Hα-helixtrans-59.5-43.4179.500000112.9D216 L217 V218 Y222 Q223 Q224D216-G220 PolarHBondContact O-N 3.01Å; L217-G220 PolarHBondContact O-N 3.17Å; L217-G220 VanDerWaalsContact O-N 3.15Å; V218-G220 VanDerWaalsContact C-N 3.33Å; V218-G220 PolarHBondContact O-N 3.45Å; G220-Y222 PolarHBondContact O-N 3.33Å; G220-Q223 PolarHBondContact O-N 3.07Å; G220-Q224 WeakPolarHBondContact O-CB 3.37Å; G220-Q224 PolarHBondContact O-N 3.5Å
221I87.8Confident89.8Confident9 Ų951.3 Ų51.35%0.04626%0.263CS..Hα-helixtrans-61-45.8176.1-65.2166.2000110.6L79 L217 V218 V219 Q224 K225 L279 F283L79-I221 HydrophobicContact CD1-CG2 4.48Å; L79-I221 HydrophobicContact CD2-CG1 4.16Å; L217-I221 HydrophobicContact CD1-CD1 4.12Å; L217-I221 HydrophobicContact CD1-CG1 4.33Å; L217-I221 HydrophobicContact CG-CD1 4.03Å; L217-I221 WeakPolarHBondContact O-CG1 3.49Å; L217-I221 PolarHBondContact O-N 2.99Å; V218-I221 PolarHBondContact O-N 3.21Å; V219-I221 PolarHBondContact O-N 2.83Å; I221-Q224 PolarHBondContact O-N 3.38Å; I221-K225 VanDerWaalsContact O-CB 3.29Å; I221-K225 WeakPolarHBondContact O-CB 3.15Å; I221-K225 PolarHBondContact O-N 2.64Å; I221-L279 HydrophobicContact CD1-CD1 4.31Å; I221-L279 HydrophobicContact CG2-CD1 3.95Å; I221-F283 HydrophobicContact CG2-CE2 4.18Å; I221-F283 HydrophobicContact CG2-CZ 3.99Å
222Y86.7Confident89.4Confident32 Ų3255.1 Ų55.113%0.12528%0.279CS..Hα-helixtrans-66.6-40.7-180-93-99.4000112.9V218 V219 G220 Q224 F226 L227 K228 P230 W234 L279V218-Y222 HydrophobicContact CG1-CD2 3.81Å; V218-Y222 HydrophobicContact CG1-CE2 3.84Å; V218-Y222 WeakPolarHBondContact O-CD2 3.38Å; V218-Y222 PolarHBondContact O-N 3.31Å; V219-Y222 PolarHBondContact O-N 3.11Å; G220-Y222 PolarHBondContact O-N 3.33Å; Y222-Q224 VanDerWaalsContact C-N 3.35Å; Y222-F226 AromaticContact CD1-CD2 3.51Å; Y222-F226 HydrophobicContact CD1-CD2 3.51Å; Y222-F226 HydrophobicContact CD1-CE2 4.02Å; Y222-F226 HydrophobicContact CD1-CG 4.48Å; Y222-F226 AromaticContact CE1-CD2 3.97Å; Y222-F226 HydrophobicContact CE1-CD2 3.97Å; Y222-F226 HydrophobicContact CE1-CE2 4.1Å; Y222-F226 AromaticContact CG-CD2 3.99Å; Y222-F226 HydrophobicContact CG-CD2 3.99Å; Y222-F226 HydrophobicContact CG-CE2 4.38Å; Y222-F226 WeakPolarHBondContact O-CA 3.27Å; Y222-F226 WeakPolarHBondContact O-CB 3.4Å; Y222-F226 PolarHBondContact O-N 3.33Å; Y222-L227 PolarHBondContact O-N 3.48Å; Y222-K228 CarbonylContact C-O 3.54Å; Y222-P230 VanDerWaalsContact CB-CD 3.44Å; Y222-P230 HydrophobicContact CD1-CB 4.38Å; Y222-P230 HydrophobicContact CD1-CG 4.21Å; Y222-P230 HydrophobicContact CD2-CG 3.94Å; Y222-P230 HydrophobicContact CG-CB 4.35Å; Y222-P230 HydrophobicContact CG-CG 3.72Å; Y222-W234 HydrophobicContact CE2-CH2 4.41Å; Y222-W234 HydrophobicContact CE2-CZ3 4.1Å; Y222-W234 AromaticContact CZ-CH2 3.97Å; Y222-W234 AromaticContact CZ-CZ3 3.97Å; Y222-W234 VanDerWaalsContact OH-CH2 3.28Å; Y222-W234 WeakPolarHBondContact OH-CH2 3.34Å; Y222-L279 HydrophobicContact CD2-CD2 4.05Å; Y222-L279 HydrophobicContact CE2-CD1 4.41Å; Y222-L279 HydrophobicContact CE2-CD2 3.42Å; Y222-L279 VanDerWaalsContact CE2-CD2 3.42Å; Y222-L279 HydrophobicContact CE2-CG 4.24Å
223Q86.6Confident88.9Confident79 Ų7956.9 Ų56.937%0.36929%0.293SS..Hα-helixtrans-62.9-45.1177.2-76.1175.5-16.200110.4V219 G220 L227 K228 E229V219-Q223 HydrophobicContact CG1-CG 4.17Å; V219-Q223 WeakPolarHBondContact O-CB 3.44Å; V219-Q223 WeakPolarHBondContact O-CG 3.4Å; V219-Q223 PolarHBondContact O-N 3.09Å; G220-Q223 PolarHBondContact O-N 3.07Å; Q223-L227 VanDerWaalsContact O-CA 3.24Å; Q223-L227 WeakPolarHBondContact O-CA 3.29Å; Q223-L227 PolarHBondContact O-N 3.45Å; Q223-L227 VanDerWaalsContact O-N 3.12Å; Q223-K228 WeakPolarHBondContact CA-O 3.32Å; Q223-K228 PolarHBondContact N-O 2.92Å; Q223-K228 VanDerWaalsContact N-O 3.16Å; Q223-E229 HydrophobicContact CG-CB 4.32Å; Q223-E229 PolarHBondContact NE2-OE2 2.69Å
224Q84.1Confident88.5Confident100 Ų10061.2 Ų61.247%0.46731%0.307SS..Hα-helixtrans-68.2-40.7-179.9-175.3174-11.500112.8G75 L79 G220 I221 Y222G75-Q224 PolarHBondContact O-NE2 3.33Å; G75-Q224 VanDerWaalsContact O-NE2 3.11Å; L79-Q224 HydrophobicContact CD1-CB 4.13Å; L79-Q224 HydrophobicContact CD1-CG 3.86Å; G220-Q224 WeakPolarHBondContact O-CB 3.37Å; G220-Q224 PolarHBondContact O-N 3.5Å; I221-Q224 PolarHBondContact O-N 3.38Å; Y222-Q224 VanDerWaalsContact C-N 3.35Å
225K83.1Confident88.1Confident48 Ų4861.2 Ų61.221%0.20931%0.307CS..Hα-helixtrans-85.9-43.2-174.9-176.860.4169.1171.90114S72 D76 I221 F283S72-K225 PolarHBondContact OG-NZ 3.14Å; D76-K225 WeakPolarHBondContact OD1-CD 3.39Å; D76-K225 WeakPolarHBondContact OD1-CE 3.36Å; D76-K225 IonicContact OD1-NZ 2.8Å; D76-K225 PolarHBondContact OD1-NZ 2.86Å; D76-K225 IonicContact OD2-NZ 2.71Å; D76-K225 PolarHBondContact OD2-NZ 3.14Å; I221-K225 VanDerWaalsContact O-CB 3.29Å; I221-K225 WeakPolarHBondContact O-CB 3.15Å; I221-K225 PolarHBondContact O-N 2.64Å; K225-F283 HydrophobicContact CB-CE1 4.37Å; K225-F283 HydrophobicContact CB-CE2 4.45Å; K225-F283 HydrophobicContact CB-CZ 3.76Å; K225-F283 HydrophobicContact CD-CD1 4.22Å; K225-F283 HydrophobicContact CD-CE1 3.57Å; K225-F283 HydrophobicContact CD-CE2 4.47Å; K225-F283 HydrophobicContact CD-CZ 3.73Å; K225-F283 HydrophobicContact CG-CE1 3.92Å; K225-F283 HydrophobicContact CG-CE2 3.98Å; K225-F283 HydrophobicContact CG-CZ 3.51Å
226F83.5Confident87.8Confident64 Ų6465.8 Ų65.828%0.28132%0.324SS..Hα-helixtrans-113.4-1.5-169.2-52.9-69000113.2Y222 K228 L279 L282Y222-F226 AromaticContact CD1-CD2 3.51Å; Y222-F226 HydrophobicContact CD1-CD2 3.51Å; Y222-F226 HydrophobicContact CD1-CE2 4.02Å; Y222-F226 HydrophobicContact CD1-CG 4.48Å; Y222-F226 AromaticContact CE1-CD2 3.97Å; Y222-F226 HydrophobicContact CE1-CD2 3.97Å; Y222-F226 HydrophobicContact CE1-CE2 4.1Å; Y222-F226 AromaticContact CG-CD2 3.99Å; Y222-F226 HydrophobicContact CG-CD2 3.99Å; Y222-F226 HydrophobicContact CG-CE2 4.38Å; Y222-F226 WeakPolarHBondContact O-CA 3.27Å; Y222-F226 WeakPolarHBondContact O-CB 3.4Å; Y222-F226 PolarHBondContact O-N 3.33Å; F226-K228 HydrophobicContact CB-CB 4.24Å; F226-K228 HydrophobicContact CB-CD 4.36Å; F226-K228 HydrophobicContact CB-CG 4.45Å; F226-K228 WeakPolarHBondContact O-CG 3.47Å; F226-K228 PolarHBondContact O-N 2.93Å; F226-L279 HydrophobicContact CE2-CD2 4.16Å; F226-L282 HydrophobicContact CE1-CB 4.21Å; F226-L282 HydrophobicContact CE1-CD1 4.32Å; F226-L282 HydrophobicContact CE2-CD1 4.03Å; F226-L282 HydrophobicContact CZ-CB 3.67Å; F226-L282 HydrophobicContact CZ-CD1 3.54Å; F226-L282 HydrophobicContact CZ-CG 4.22Å
227L84.6Confident87.4Confident146 Ų14665.8 Ų65.876%0.76433%0.33SS*.SBendtrans52.235.5-172.5-58173.5000111.7Y222 Q223Y222-L227 PolarHBondContact O-N 3.48Å; Q223-L227 VanDerWaalsContact O-CA 3.24Å; Q223-L227 WeakPolarHBondContact O-CA 3.29Å; Q223-L227 PolarHBondContact O-N 3.45Å; Q223-L227 VanDerWaalsContact O-N 3.12Å
228K84.9Confident87.1Confident143 Ų14366 Ų6662%0.62233%0.332SS*.  trans-130.6144.7-177.3-75.3174.5-175.1178.30109.9Y222 Q223 F226 P230Y222-K228 CarbonylContact C-O 3.54Å; Q223-K228 WeakPolarHBondContact CA-O 3.32Å; Q223-K228 PolarHBondContact N-O 2.92Å; Q223-K228 VanDerWaalsContact N-O 3.16Å; F226-K228 HydrophobicContact CB-CB 4.24Å; F226-K228 HydrophobicContact CB-CD 4.36Å; F226-K228 HydrophobicContact CB-CG 4.45Å; F226-K228 WeakPolarHBondContact O-CG 3.47Å; F226-K228 PolarHBondContact O-N 2.93Å; K228-P230 WeakPolarHBondContact O-CD 3.4Å
229E87.9Confident86.9Confident136 Ų13666.3 Ų66.364%0.63633%0.333SS*.  trans-104.3109.4171.7-173.2166.2160.100109.6V219 Q223V219-E229 HydrophobicContact CG1-CG 4.02Å; Q223-E229 HydrophobicContact CG-CB 4.32Å; Q223-E229 PolarHBondContact NE2-OE2 2.69Å
230P87.6Confident86.6Confident18 Ų1870.1 Ų70.112%0.11735%0.353CS..  trans-71.5150.7175.230.9-35.9000110.2V219 Y222 K228 K232 W234 I235V219-P230 HydrophobicContact CG2-CG 4.23Å; Y222-P230 VanDerWaalsContact CB-CD 3.44Å; Y222-P230 HydrophobicContact CD1-CB 4.38Å; Y222-P230 HydrophobicContact CD1-CG 4.21Å; Y222-P230 HydrophobicContact CD2-CG 3.94Å; Y222-P230 HydrophobicContact CG-CB 4.35Å; Y222-P230 HydrophobicContact CG-CG 3.72Å; K228-P230 WeakPolarHBondContact O-CD 3.4Å; P230-K232 PolarHBondContact O-N 3.17Å; P230-W234 HydrophobicContact CB-CE3 4.07Å; P230-W234 HydrophobicContact CB-CZ3 4.31Å; P230-I235 HydrophobicContact CB-CD1 4.33Å; P230-I235 HydrophobicContact CB-CG1 4.4Å; P230-I235 HydrophobicContact CG-CD1 3.78Å; P230-I235 HydrophobicContact CG-CG1 4.32Å
231S89.7Confident85.9Confident70 Ų7070.5 Ų70.549%0.4935%0.349SS..  trans-64.1130.3173.1175.70000110.6T233 W234 I235S231-T233 PolarHBondContact O-N 3.06Å; S231-T233 PolarHBondContact OG-N 3.34Å; S231-W234 WeakPolarHBondContact O-CB 3.4Å; S231-W234 PolarHBondContact O-N 3.21Å; S231-I235 PolarHBondContact O-N 3.28Å
232K87.7Confident85.3Confident93 Ų9371.3 Ų71.340%0.40436%0.357SS..Hα-helixtrans-58.2-31172.9-64.5-164.7-175.4-166.90112.7D216 V219 P230 W234 I235 R236D216-K232 WeakPolarHBondContact OD1-CE 3.19Å; D216-K232 IonicContact OD1-NZ 2.75Å; D216-K232 PolarHBondContact OD1-NZ 3.11Å; V219-K232 HydrophobicContact CG2-CG 4.3Å; P230-K232 PolarHBondContact O-N 3.17Å; K232-W234 VanDerWaalsContact C-N 3.35Å; K232-I235 PolarHBondContact O-N 3.04Å; K232-R236 WeakPolarHBondContact O-CG 3.49Å; K232-R236 PolarHBondContact O-N 2.99Å
233T88.1Confident84.7Confident96 Ų9671.7 Ų71.759%0.58936%0.361SS*.Hα-helixtrans-63.3-43174.1-520000111.2S231 R236 S237S231-T233 PolarHBondContact O-N 3.06Å; S231-T233 PolarHBondContact OG-N 3.34Å; T233-R236 PolarHBondContact O-N 2.67Å; T233-S237 PolarHBondContact O-N 2.86Å; T233-S237 PolarHBondContact O-OG 3.24Å; T233-S237 VanDerWaalsContact O-OG 3.14Å
234W87.9Confident84.4Confident105 Ų10568.9 Ų68.940%0.39835%0.347SS..Hα-helixtrans-64-41.9175.6176.180.9000111.6Y222 P230 S231 K232 R236 S237 L238Y222-W234 HydrophobicContact CE2-CH2 4.41Å; Y222-W234 HydrophobicContact CE2-CZ3 4.1Å; Y222-W234 AromaticContact CZ-CH2 3.97Å; Y222-W234 AromaticContact CZ-CZ3 3.97Å; Y222-W234 VanDerWaalsContact OH-CH2 3.28Å; Y222-W234 WeakPolarHBondContact OH-CH2 3.34Å; P230-W234 HydrophobicContact CB-CE3 4.07Å; P230-W234 HydrophobicContact CB-CZ3 4.31Å; S231-W234 WeakPolarHBondContact O-CB 3.4Å; S231-W234 PolarHBondContact O-N 3.21Å; K232-W234 VanDerWaalsContact C-N 3.35Å; W234-R236 PolarHBondContact O-N 3.37Å; W234-S237 PolarHBondContact O-N 2.78Å; W234-L238 HydrophobicContact CH2-CD1 3.45Å; W234-L238 VanDerWaalsContact CH2-CD1 3.45Å; W234-L238 HydrophobicContact CZ2-CD1 3.75Å; W234-L238 HydrophobicContact CZ3-CD1 4.01Å; W234-L238 WeakPolarHBondContact O-CB 3.39Å; W234-L238 PolarHBondContact O-N 3.33Å
235I87.8Confident84.2Confident0 Ų065.4 Ų65.40%033%0.331CS..Hα-helixtrans-62.4-44.7176.9-60.7165.7000111E215 V218 V219 P230 S231 K232 S237 L238 L239E215-I235 HydrophobicContact CB-CG2 4.38Å; E215-I235 HydrophobicContact CG-CG2 4.16Å; V218-I235 HydrophobicContact CB-CD1 4.01Å; V218-I235 HydrophobicContact CB-CG1 4.39Å; V218-I235 HydrophobicContact CB-CG2 4Å; V218-I235 HydrophobicContact CG1-CD1 3.84Å; V218-I235 HydrophobicContact CG1-CG1 3.88Å; V218-I235 HydrophobicContact CG1-CG2 4.11Å; V218-I235 HydrophobicContact CG2-CG2 4.21Å; V219-I235 HydrophobicContact CG2-CD1 3.47Å; V219-I235 VanDerWaalsContact CG2-CD1 3.47Å; P230-I235 HydrophobicContact CB-CD1 4.33Å; P230-I235 HydrophobicContact CB-CG1 4.4Å; P230-I235 HydrophobicContact CG-CD1 3.78Å; P230-I235 HydrophobicContact CG-CG1 4.32Å; S231-I235 PolarHBondContact O-N 3.28Å; K232-I235 PolarHBondContact O-N 3.04Å; I235-S237 PolarHBondContact O-N 3.27Å; I235-L238 WeakPolarHBondContact O-CA 3.39Å; I235-L238 WeakPolarHBondContact O-CB 3.49Å; I235-L238 PolarHBondContact O-N 2.62Å; I235-L238 VanDerWaalsContact O-N 3.08Å; I235-L239 HydrophobicContact CG2-CD1 3.95Å; I235-L239 HydrophobicContact CG2-CG 4.25Å; I235-L239 WeakPolarHBondContact O-CG 3.4Å; I235-L239 PolarHBondContact O-N 3.46Å
236R88.4Confident83.9Confident101 Ų10164.2 Ų64.238%0.38133%0.325SS..Hα-helixtrans-57.7-48175.2-73.8174.1174.5170.8-4.2111.7S186 E215 K232 T233 W234 L238 L239 D240S186-R236 PolarHBondContact OG-NE 3.4Å; S186-R236 PolarHBondContact OG-NH2 3.4Å; E215-R236 HydrophobicContact CG-CG 4.04Å; K232-R236 WeakPolarHBondContact O-CG 3.49Å; K232-R236 PolarHBondContact O-N 2.99Å; T233-R236 PolarHBondContact O-N 2.67Å; W234-R236 PolarHBondContact O-N 3.37Å; R236-L238 PolarHBondContact O-N 3.25Å; R236-L239 PolarHBondContact O-N 3.42Å; R236-D240 PolarHBondContact O-N 3.11Å
237S85.6Confident83.7Confident77 Ų7761.8 Ų61.854%0.53832%0.316SS..Hα-helixtrans-60.4-33.6175.5-57.70000112.9T233 W234 I235 V241T233-S237 PolarHBondContact O-N 2.86Å; T233-S237 PolarHBondContact O-OG 3.24Å; T233-S237 VanDerWaalsContact O-OG 3.14Å; W234-S237 PolarHBondContact O-N 2.78Å; I235-S237 PolarHBondContact O-N 3.27Å; S237-V241 WeakPolarHBondContact O-CG2 3.4Å
238L86.3Confident83.4Confident25 Ų2557.3 Ų57.313%0.13130%0.298CS..Hα-helixtrans-68.1-36.9174.3169.7149.5000112.3W234 I235 R236 V241 C274 S278W234-L238 HydrophobicContact CH2-CD1 3.45Å; W234-L238 VanDerWaalsContact CH2-CD1 3.45Å; W234-L238 HydrophobicContact CZ2-CD1 3.75Å; W234-L238 HydrophobicContact CZ3-CD1 4.01Å; W234-L238 WeakPolarHBondContact O-CB 3.39Å; W234-L238 PolarHBondContact O-N 3.33Å; I235-L238 WeakPolarHBondContact O-CA 3.39Å; I235-L238 WeakPolarHBondContact O-CB 3.49Å; I235-L238 PolarHBondContact O-N 2.62Å; I235-L238 VanDerWaalsContact O-N 3.08Å; R236-L238 PolarHBondContact O-N 3.25Å; L238-V241 VanDerWaalsContact O-CG2 3.31Å; L238-V241 WeakPolarHBondContact O-CG2 3.36Å; L238-C274 HydrophobicContact CD2-CB 3.77Å; L238-C274 HydrophobicContact CG-CB 4.49Å; L238-C274 PolarHBondContact O-SG 3.13Å; L238-S278 WeakPolarHBondContact CD1-OG 3.48Å
239L87.1Confident83.2Confident9 Ų956.3 Ų56.35%0.04730%0.299CS..Hα-helixtrans-79.8-18.8-179.9-65.8173.5000113.8K185 V214 E215 I235 R236 I271 C274K185-L239 HydrophobicContact CD-CB 4.25Å; V214-L239 HydrophobicContact CB-CD1 4.13Å; V214-L239 HydrophobicContact CG1-CD1 3.67Å; V214-L239 HydrophobicContact CG1-CD2 3.89Å; V214-L239 HydrophobicContact CG1-CG 4.45Å; E215-L239 HydrophobicContact CG-CD1 4.27Å; I235-L239 HydrophobicContact CG2-CD1 3.95Å; I235-L239 HydrophobicContact CG2-CG 4.25Å; I235-L239 WeakPolarHBondContact O-CG 3.4Å; I235-L239 PolarHBondContact O-N 3.46Å; R236-L239 PolarHBondContact O-N 3.42Å; L239-I271 HydrophobicContact CD2-CG1 4.38Å; L239-I271 HydrophobicContact CD2-CG2 4.31Å; L239-C274 HydrophobicContact CD2-CB 4Å
240D82.7Confident83.1Confident91 Ų9149.8 Ų49.849%0.48727%0.269SS..THydrogen-bonded Turntrans-9615.6-179-67.9-29.7000113.5K185 R236 A242K185-D240 IonicContact NZ-OD1 3.35Å; K185-D240 PolarHBondContact NZ-OD1 3.5Å; R236-D240 PolarHBondContact O-N 3.11Å; D240-A242 PolarHBondContact O-N 2.84Å
241V76Confident83.4Confident39 Ų3949.6 Ų49.624%0.23627%0.266CS..  trans-69.7124.9-179.8174.60000111.2S237 L238 M243S237-V241 WeakPolarHBondContact O-CG2 3.4Å; L238-V241 VanDerWaalsContact O-CG2 3.31Å; L238-V241 WeakPolarHBondContact O-CG2 3.36Å; V241-M243 VanDerWaalsContact C-N 3.27Å; V241-M243 HydrophobicContact CG1-CB 3.5Å; V241-M243 PolarHBondContact O-N 3.11Å
242A74.5Confident83.7Confident25 Ų2546.7 Ų46.721%0.20725%0.245CC..G310 helixtrans-81.53.4179.600000114.8D240 W244 D245D240-A242 PolarHBondContact O-N 2.84Å; A242-W244 PolarHBondContact O-N 2.76Å; A242-W244 VanDerWaalsContact O-N 3.11Å; A242-D245 WeakPolarHBondContact CB-OD2 3.27Å; A242-D245 WeakPolarHBondContact O-CB 3.35Å; A242-D245 PolarHBondContact O-N 3.49Å; A242-D245 VanDerWaalsContact O-N 3.07Å
243M74.3Confident84Confident41 Ų4149.4 Ų49.420%0.20226%0.257CS..G310 helixtrans-54.1-35-172.7-176.6-177.2-66.900112.9V241 P305V241-M243 VanDerWaalsContact C-N 3.27Å; V241-M243 HydrophobicContact CG1-CB 3.5Å; V241-M243 PolarHBondContact O-N 3.11Å; M243-P305 HydrophobicContact CE-CG 3.91Å
244W80.5Confident84.4Confident20 Ų2046.2 Ų46.28%0.07623%0.234CC..G310 helixtrans-108.116.1-177.3-49.5-61.6000113.5A242 Y246 S247 K270 Y273 C274 N277 V292 P293A242-W244 PolarHBondContact O-N 2.76Å; A242-W244 VanDerWaalsContact O-N 3.11Å; W244-Y246 PolarHBondContact O-N 3.3Å; W244-S247 PolarHBondContact O-N 3.46Å; W244-K270 HydrophobicContact CB-CG 4.49Å; W244-Y273 HydrophobicContact CD2-CD2 4.47Å; W244-Y273 HydrophobicContact CE3-CD2 4.4Å; W244-Y273 VanDerWaalsContact CH2-C 3.42Å; W244-Y273 WeakPolarHBondContact CH2-O 3.21Å; W244-C274 HydrophobicContact CZ3-CB 4.21Å; W244-C274 VanDerWaalsContact CZ3-N 3.32Å; W244-C274 WeakPolarHBondContact CZ3-SG 3.44Å; W244-N277 HydrophobicContact CH2-CB 4.06Å; W244-N277 HydrophobicContact CZ2-CB 4.13Å; W244-V292 HydrophobicContact CZ2-CG1 4.49Å; W244-P293 HydrophobicContact CB-CG 4.1Å; W244-P293 HydrophobicContact CG-CG 3.87Å
245D80.4Confident84.8Confident26 Ų2641.2 Ų41.214%0.13922%0.215CC..THydrogen-bonded Turntrans-59.8-31.1-179.7-79.2-1.7000112.6N9 A242 R251 L261 K270N9-D245 PolarHBondContact ND2-OD2 3.35Å; A242-D245 WeakPolarHBondContact CB-OD2 3.27Å; A242-D245 WeakPolarHBondContact O-CB 3.35Å; A242-D245 PolarHBondContact O-N 3.49Å; A242-D245 VanDerWaalsContact O-N 3.07Å; D245-R251 PolarHBondContact O-NE 3.02Å; D245-L261 HydrophobicContact CB-CD2 4.43Å; D245-L261 WeakPolarHBondContact O-CD2 3.49Å; D245-K270 WeakPolarHBondContact OD1-CE 3.47Å; D245-K270 IonicContact OD1-NZ 3.86Å; D245-K270 PolarHBondContact OD1-NZ 3.33Å
246Y75.8Confident85Confident23 Ų2343.9 Ų43.99%0.0923%0.228CC..THydrogen-bonded Turntrans-114.22.5-174.3-57.9-84.9000113.7N9 Y11 Y12 I36 W244 L261N9-Y246 PolarHBondContact OD1-OH 3.41Å; Y11-Y246 AromaticContact CD1-CD2 3.87Å; Y11-Y246 HydrophobicContact CD1-CD2 3.87Å; Y11-Y246 AromaticContact CD1-CE2 3.87Å; Y11-Y246 HydrophobicContact CD1-CE2 3.87Å; Y11-Y246 HydrophobicContact CE1-CD2 4.14Å; Y12-Y246 WeakPolarHBondContact CB-OH 3.14Å; Y12-Y246 HydrophobicContact CD2-CE1 4.12Å; I36-Y246 HydrophobicContact CD1-CD1 4.12Å; I36-Y246 HydrophobicContact CD1-CD2 3.83Å; I36-Y246 HydrophobicContact CD1-CG 3.43Å; I36-Y246 VanDerWaalsContact CD1-CG 3.43Å; W244-Y246 PolarHBondContact O-N 3.3Å; Y246-L261 HydrophobicContact CD1-CD2 3.91Å; Y246-L261 HydrophobicContact CE1-CD1 4.05Å; Y246-L261 HydrophobicContact CE1-CD2 3.71Å; Y246-L261 HydrophobicContact CE1-CG 4.44Å; Y246-L261 WeakPolarHBondContact OH-CD1 3.46Å
247S80.8Confident85.1Confident13 Ų1344.6 Ų44.69%0.09124%0.235CC..  trans-63.6139.6175.2-65.90000109.5W244 T250W244-S247 PolarHBondContact O-N 3.46Å; S247-T250 WeakPolarHBondContact O-CG2 3.41Å; S247-T250 PolarHBondContact O-OG1 3.11Å
248S78.1Confident85.4Confident53 Ų5344.9 Ų44.937%0.37123%0.231SC..THydrogen-bonded Turntrans-60.3151.9175.163.30000110.7T250 D296S248-T250 PolarHBondContact O-N 3.4Å; S248-T250 VanDerWaalsContact O-N 3.07Å; S248-D296 PolarHBondContact OG-OD1 3.4Å; S248-D296 VanDerWaalsContact OG-OD1 3.08Å
249N79.3Confident85.5Confident121 Ų12148.9 Ų48.965%0.64725%0.252SS*.THydrogen-bonded Turntrans60.520.5175.8-16326.6000115.2E256 K269N249-E256 PolarHBondContact N-OE1 3.44Å; N249-K269 PolarHBondContact O-NZ 3.23Å
250T86.9Confident85.6Confident0 Ų049 Ų490%025%0.252CS..SBendtrans-93.7-29.2175.459.60000112.2S247 S248 E256 A266 Y273 P293S247-T250 WeakPolarHBondContact O-CG2 3.41Å; S247-T250 PolarHBondContact O-OG1 3.11Å; S248-T250 PolarHBondContact O-N 3.4Å; S248-T250 VanDerWaalsContact O-N 3.07Å; T250-E256 PolarHBondContact N-OE1 3.24Å; T250-A266 WeakPolarHBondContact O-CA 3.43Å; T250-A266 WeakPolarHBondContact O-CB 3.34Å; T250-Y273 HydrophobicContact CG2-CE2 4Å; T250-P293 HydrophobicContact CG2-CB 4.29Å; T250-P293 HydrophobicContact CG2-CG 3.94Å
251R93.5Very high86Confident14 Ų1445.8 Ų45.85%0.05324%0.235CC..SBendtrans-104.1167.7-178.5-69165.5-78.910313.1111.2D245 H255 E256 I260 C263 A266D245-R251 PolarHBondContact O-NE 3.02Å; R251-H255 HydrophobicContact CB-CB 4.05Å; R251-H255 PolarHBondContact NH1-O 3.14Å; R251-E256 HydrophobicContact CB-CG 3.97Å; R251-E256 WeakPolarHBondContact CB-OE1 3.37Å; R251-E256 IonicContact CZ-OE1 2.64Å; R251-E256 IonicContact CZ-OE2 3.14Å; R251-E256 PolarHBondContact N-OE1 3.4Å; R251-E256 VanDerWaalsContact N-OE1 3.12Å; R251-E256 IonicContact NE-OE1 2.69Å; R251-E256 VanDerWaalsContact NH1-CD 3.34Å; R251-E256 IonicContact NH1-OE1 3.7Å; R251-E256 IonicContact NH1-OE2 2.62Å; R251-E256 PolarHBondContact NH1-OE2 2.93Å; R251-E256 VanDerWaalsContact NH1-OE2 3.11Å; R251-E256 IonicContact NH2-OE1 2.67Å; R251-E256 PolarHBondContact NH2-OE1 2.93Å; R251-E256 VanDerWaalsContact NH2-OE1 3.14Å; R251-E256 IonicContact NH2-OE2 3.36Å; R251-E256 PolarHBondContact NH2-OE2 3.29Å; R251-I260 WeakPolarHBondContact CD-O 3.41Å; R251-C263 HydrophobicContact CB-CB 4.13Å; R251-C263 HydrophobicContact CG-CB 3.94Å; R251-A266 HydrophobicContact CB-CB 4.35Å; R251-A266 HydrophobicContact CG-CB 3.48Å; R251-A266 VanDerWaalsContact CG-CB 3.48Å
252C95.8Very high86.9Confident8 Ų847.8 Ų47.85%0.05424%0.241CC..  trans-68.2156.5170.990.20000110.3H124 W254 H255 E256 C263 L265H124-C252 WeakPolarHBondContact CE1-CB 3.39Å; H124-C252 PolarHBondContact CE1-SG 2.89Å; H124-C252 WeakPolarHBondContact NE2-CB 3.37Å; C252-W254 VanDerWaalsContact C-N 3.26Å; C252-W254 PolarHBondContact O-N 3.02Å; C252-W254 VanDerWaalsContact O-N 3.13Å; C252-H255 PolarHBondContact O-N 3.42Å; C252-H255 PolarHBondContact SG-ND1 2.86Å; C252-E256 WeakPolarHBondContact O-CG 3.44Å; C252-E256 PolarHBondContact O-N 2.84Å; C252-C263 PolarHBondContact N-SG 3.34Å; C252-C263 VanDerWaalsContact N-SG 3.37Å; C252-L265 HydrophobicContact CB-CD2 4.43Å
253K95Very high87.9Confident151 Ų15146.6 Ų46.666%0.65723%0.231SC*.Hα-helixtrans-50-42.8-177.4-179.8172.5176.9173.90113.9E256 E257K253-E256 WeakPolarHBondContact O-CB 3.49Å; K253-E256 PolarHBondContact O-N 2.69Å; K253-E257 WeakPolarHBondContact CE-OE1 3.02Å; K253-E257 HydrophobicContact CG-CG 4.47Å; K253-E257 WeakPolarHBondContact CG-OE1 3.15Å; K253-E257 IonicContact NZ-OE1 3.94Å; K253-E257 VanDerWaalsContact O-CG 3.29Å; K253-E257 WeakPolarHBondContact O-CG 3.34Å; K253-E257 PolarHBondContact O-N 2.79Å
254W96.2Very high89Confident29 Ų2944.7 Ų44.711%0.1122%0.222CC..Hα-helixtrans-68-42.2-179.4-179.386000112F126 I150 F155 C252 E256 E257 N258 I260F126-W254 HydrophobicContact CE1-CE3 4.21Å; F126-W254 HydrophobicContact CE2-CB 3.85Å; F126-W254 HydrophobicContact CE2-CG 4.26Å; F126-W254 HydrophobicContact CZ-CB 3.77Å; F126-W254 HydrophobicContact CZ-CD2 4.02Å; F126-W254 AromaticContact CZ-CE3 3.81Å; F126-W254 HydrophobicContact CZ-CE3 3.81Å; F126-W254 HydrophobicContact CZ-CG 4.03Å; I150-W254 HydrophobicContact CG1-CH2 4.34Å; I150-W254 HydrophobicContact CG1-CZ3 3.97Å; F155-W254 AromaticContact CE2-CE2 3.95Å; F155-W254 HydrophobicContact CE2-CZ2 4.16Å; F155-W254 AromaticContact CE2-NE1 3.89Å; F155-W254 HydrophobicContact CZ-CD2 4.33Å; F155-W254 HydrophobicContact CZ-CZ2 4.49Å; C252-W254 VanDerWaalsContact C-N 3.26Å; C252-W254 PolarHBondContact O-N 3.02Å; C252-W254 VanDerWaalsContact O-N 3.13Å; W254-E256 VanDerWaalsContact C-N 3.31Å; W254-E256 PolarHBondContact O-N 3.35Å; W254-E257 PolarHBondContact O-N 3.5Å; W254-N258 WeakPolarHBondContact O-CB 3.48Å; W254-N258 PolarHBondContact O-N 3.18Å; W254-N258 VanDerWaalsContact O-N 3.15Å; W254-N258 PolarHBondContact O-ND2 3.23Å; W254-I260 HydrophobicContact CE3-CD1 4.33Å; W254-I260 HydrophobicContact CH2-CD1 3.5Å; W254-I260 HydrophobicContact CZ2-CD1 4.4Å; W254-I260 HydrophobicContact CZ3-CD1 3.46Å; W254-I260 VanDerWaalsContact CZ3-CD1 3.46Å
255H95.6Very high89.9Confident0 Ų044 Ų440%022%0.22CC..Hα-helixtrans-69.8-28.2175.6-74.499.4000112.7E107 F126 H148 R251 C252 D259 I260 F262 C263E107-H255 VanDerWaalsContact CD-CE1 3.43Å; E107-H255 IonicContact OE1-CE1 3.74Å; E107-H255 PolarHBondContact OE1-CE1 3.36Å; E107-H255 IonicContact OE1-ND1 3.81Å; E107-H255 PolarHBondContact OE1-ND1 3.27Å; E107-H255 IonicContact OE2-CE1 3.14Å; E107-H255 PolarHBondContact OE2-CE1 2.93Å; E107-H255 IonicContact OE2-NE2 3.33Å; F126-H255 AromaticContact CE1-CE1 3.72Å; F126-H255 AromaticContact CZ-ND1 3.95Å; H148-H255 PolarHBondContact O-NE2 3.45Å; R251-H255 HydrophobicContact CB-CB 4.05Å; R251-H255 PolarHBondContact NH1-O 3.14Å; C252-H255 PolarHBondContact O-N 3.42Å; C252-H255 PolarHBondContact SG-ND1 2.86Å; H255-D259 PolarHBondContact O-N 3.02Å; H255-I260 PolarHBondContact O-N 3.45Å; H255-F262 PolarHBondContact CD2-O 3.3Å; H255-F262 VanDerWaalsContact CD2-O 3.28Å; H255-F262 PolarHBondContact NE2-O 3.12Å; H255-C263 HydrophobicContact CB-CB 3.99Å
256E91.3Very high90.6Very high56 Ų5642.8 Ų42.826%0.26221%0.213SC..Hα-helixtrans-61.5-56.6167.7-69.1-70.317100112N249 T250 R251 C252 K253 W254 N258 D259N249-E256 PolarHBondContact N-OE1 3.44Å; T250-E256 PolarHBondContact N-OE1 3.24Å; R251-E256 HydrophobicContact CB-CG 3.97Å; R251-E256 WeakPolarHBondContact CB-OE1 3.37Å; R251-E256 IonicContact CZ-OE1 2.64Å; R251-E256 IonicContact CZ-OE2 3.14Å; R251-E256 PolarHBondContact N-OE1 3.4Å; R251-E256 VanDerWaalsContact N-OE1 3.12Å; R251-E256 IonicContact NE-OE1 2.69Å; R251-E256 VanDerWaalsContact NH1-CD 3.34Å; R251-E256 IonicContact NH1-OE1 3.7Å; R251-E256 IonicContact NH1-OE2 2.62Å; R251-E256 PolarHBondContact NH1-OE2 2.93Å; R251-E256 VanDerWaalsContact NH1-OE2 3.11Å; R251-E256 IonicContact NH2-OE1 2.67Å; R251-E256 PolarHBondContact NH2-OE1 2.93Å; R251-E256 VanDerWaalsContact NH2-OE1 3.14Å; R251-E256 IonicContact NH2-OE2 3.36Å; R251-E256 PolarHBondContact NH2-OE2 3.29Å; C252-E256 WeakPolarHBondContact O-CG 3.44Å; C252-E256 PolarHBondContact O-N 2.84Å; K253-E256 WeakPolarHBondContact O-CB 3.49Å; K253-E256 PolarHBondContact O-N 2.69Å; W254-E256 VanDerWaalsContact C-N 3.31Å; W254-E256 PolarHBondContact O-N 3.35Å; E256-N258 PolarHBondContact O-N 3.47Å; E256-D259 PolarHBondContact O-N 3.26Å
257E92.4Very high91.6Very high115 Ų11543 Ų4354%0.53722%0.217SC..Hα-helixtrans-62.2-27.3-177.6-71.4167.6172.700113.5K253 W254K253-E257 WeakPolarHBondContact CE-OE1 3.02Å; K253-E257 HydrophobicContact CG-CG 4.47Å; K253-E257 WeakPolarHBondContact CG-OE1 3.15Å; K253-E257 IonicContact NZ-OE1 3.94Å; K253-E257 VanDerWaalsContact O-CG 3.29Å; K253-E257 WeakPolarHBondContact O-CG 3.34Å; K253-E257 PolarHBondContact O-N 2.79Å; W254-E257 PolarHBondContact O-N 3.5Å
258N90.3Very high92.4Very high84 Ų8442.3 Ų42.345%0.44921%0.212SC..THydrogen-bonded Turntrans-1023.2-176.7-70.2-89.3000113.9W254 E256 I260W254-N258 WeakPolarHBondContact O-CB 3.48Å; W254-N258 PolarHBondContact O-N 3.18Å; W254-N258 VanDerWaalsContact O-N 3.15Å; W254-N258 PolarHBondContact O-ND2 3.23Å; E256-N258 PolarHBondContact O-N 3.47Å; N258-I260 VanDerWaalsContact C-N 3.34Å; N258-I260 HydrophobicContact CB-CD1 3.54Å; N258-I260 HydrophobicContact CB-CG1 3.94Å; N258-I260 PolarHBondContact O-N 2.85Å
259D88.6Confident93.2Very high108 Ų10840.4 Ų40.458%0.57820%0.197SC*.THydrogen-bonded Turntrans53.846.8-178.6-166.132.7000113H255 E256H255-D259 PolarHBondContact O-N 3.02Å; E256-D259 PolarHBondContact O-N 3.26Å
260I90.2Very high93.9Very high11 Ų1135.7 Ų35.76%0.05617%0.171CC..  trans-111.4122.3-178.9-57.7160.7000109.7K149 R251 W254 H255 N258K149-I260 HydrophobicContact CB-CD1 3.77Å; K149-I260 HydrophobicContact CB-CG1 4.33Å; K149-I260 HydrophobicContact CB-CG2 4.49Å; K149-I260 HydrophobicContact CD-CD1 4.32Å; K149-I260 HydrophobicContact CD-CG1 4.06Å; K149-I260 HydrophobicContact CG-CD1 4.26Å; K149-I260 HydrophobicContact CG-CG1 4.28Å; K149-I260 HydrophobicContact CG-CG2 4.1Å; R251-I260 WeakPolarHBondContact CD-O 3.41Å; W254-I260 HydrophobicContact CE3-CD1 4.33Å; W254-I260 HydrophobicContact CH2-CD1 3.5Å; W254-I260 HydrophobicContact CZ2-CD1 4.4Å; W254-I260 HydrophobicContact CZ3-CD1 3.46Å; W254-I260 VanDerWaalsContact CZ3-CD1 3.46Å; H255-I260 PolarHBondContact O-N 3.45Å; N258-I260 VanDerWaalsContact C-N 3.34Å; N258-I260 HydrophobicContact CB-CD1 3.54Å; N258-I260 HydrophobicContact CB-CG1 3.94Å; N258-I260 PolarHBondContact O-N 2.85Å
261L90.5Very high94.3Very high24 Ų2435.9 Ų35.913%0.12617%0.172CC..  trans-78-30.3-174.2-56.1-179.9000114.1D245 Y246 C263D245-L261 HydrophobicContact CB-CD2 4.43Å; D245-L261 WeakPolarHBondContact O-CD2 3.49Å; Y246-L261 HydrophobicContact CD1-CD2 3.91Å; Y246-L261 HydrophobicContact CE1-CD1 4.05Å; Y246-L261 HydrophobicContact CE1-CD2 3.71Å; Y246-L261 HydrophobicContact CE1-CG 4.44Å; Y246-L261 WeakPolarHBondContact OH-CD1 3.46Å; L261-C263 PolarHBondContact O-N 3.37Å; L261-C263 VanDerWaalsContact O-N 3.11Å
262F93.9Very high94.3Very high81 Ų8135.2 Ų35.236%0.35517%0.169SC..  trans-83.190.2-176.9-64.3-86.2000110.3S7 F90 S147 H148 H255S7-F262 WeakPolarHBondContact OG-CE2 3.19Å; F90-F262 VanDerWaalsContact CE2-C 3.5Å; F90-F262 HydrophobicContact CE2-CB 3.95Å; F90-F262 HydrophobicContact CZ-CB 4.4Å; S147-F262 VanDerWaalsContact C-CB 3.44Å; S147-F262 WeakPolarHBondContact O-CD2 3.33Å; H148-F262 WeakPolarHBondContact CA-O 3.44Å; H148-F262 HydrophobicContact CB-CB 4.31Å; H148-F262 WeakPolarHBondContact CB-O 2.93Å; H255-F262 PolarHBondContact CD2-O 3.3Å; H255-F262 VanDerWaalsContact CD2-O 3.28Å; H255-F262 PolarHBondContact NE2-O 3.12Å
263C96.9Very high94.2Very high1 Ų135.4 Ų35.41%0.00717%0.169CC..  trans-125.5133.1173.4173.10000110.3E107 R251 C252 H255 L261 L265 A266 V267E107-C263 PolarHBondContact OE1-SG 3.46Å; R251-C263 HydrophobicContact CB-CB 4.13Å; R251-C263 HydrophobicContact CG-CB 3.94Å; C252-C263 PolarHBondContact N-SG 3.34Å; C252-C263 VanDerWaalsContact N-SG 3.37Å; H255-C263 HydrophobicContact CB-CB 3.99Å; L261-C263 PolarHBondContact O-N 3.37Å; L261-C263 VanDerWaalsContact O-N 3.11Å; C263-L265 VanDerWaalsContact C-N 3.3Å; C263-L265 PolarHBondContact O-N 2.88Å; C263-A266 HydrophobicContact CB-CB 3.88Å; C263-A266 WeakPolarHBondContact O-CB 3.4Å; C263-A266 PolarHBondContact O-N 3.4Å; C263-A266 VanDerWaalsContact O-N 3.11Å; C263-V267 PolarHBondContact O-N 3.21Å; C263-V267 VanDerWaalsContact O-N 3.13Å
264A98Very high94Very high0 Ų028.4 Ų28.40%014%0.139CC..Hα-helixtrans-58.6-41178.700000112.2F90 E107 A266 V267 C268F90-A264 HydrophobicContact CD2-CB 4.36Å; E107-A264 HydrophobicContact CB-CB 4.17Å; E107-A264 VanDerWaalsContact CD-N 3.32Å; E107-A264 HydrophobicContact CG-CB 3.82Å; E107-A264 PolarHBondContact OE1-N 2.84Å; E107-A264 PolarHBondContact OE2-N 2.93Å; A264-A266 VanDerWaalsContact C-N 3.34Å; A264-A266 PolarHBondContact O-N 3.05Å; A264-V267 PolarHBondContact O-N 3.34Å; A264-C268 PolarHBondContact O-N 3.29Å; A264-C268 PolarHBondContact O-SG 3.35Å; A264-C268 VanDerWaalsContact O-SG 3.42Å
265L97.8Very high93.8Very high6 Ų627.2 Ų27.23%0.03114%0.135CC..Hα-helixtrans-62.8-40.3175.6177.862.2000112V111 D122 H124 C252 C263 V267 C268 K269V111-L265 HydrophobicContact CG1-CD1 4Å; D122-L265 HydrophobicContact CB-CD1 3.74Å; H124-L265 HydrophobicContact CB-CB 4.37Å; H124-L265 HydrophobicContact CB-CD2 4.07Å; C252-L265 HydrophobicContact CB-CD2 4.43Å; C263-L265 VanDerWaalsContact C-N 3.3Å; C263-L265 PolarHBondContact O-N 2.88Å; L265-V267 VanDerWaalsContact C-N 3.32Å; L265-V267 PolarHBondContact O-N 3.46Å; L265-C268 WeakPolarHBondContact O-CB 3.37Å; L265-C268 PolarHBondContact O-N 2.93Å; L265-C268 VanDerWaalsContact O-N 3.17Å; L265-K269 HydrophobicContact CD1-CG 4.23Å; L265-K269 HydrophobicContact CG-CD 4.37Å; L265-K269 HydrophobicContact CG-CG 4.36Å; L265-K269 WeakPolarHBondContact O-CG 3.31Å; L265-K269 PolarHBondContact O-N 3.19Å
266A95.6Very high93.6Very high0 Ų027.2 Ų27.20%014%0.135CC..Hα-helixtrans-65.4-36.3179.500000112.6T250 R251 C263 A264 C268 K269 K270T250-A266 WeakPolarHBondContact O-CA 3.43Å; T250-A266 WeakPolarHBondContact O-CB 3.34Å; R251-A266 HydrophobicContact CB-CB 4.35Å; R251-A266 HydrophobicContact CG-CB 3.48Å; R251-A266 VanDerWaalsContact CG-CB 3.48Å; C263-A266 HydrophobicContact CB-CB 3.88Å; C263-A266 WeakPolarHBondContact O-CB 3.4Å; C263-A266 PolarHBondContact O-N 3.4Å; C263-A266 VanDerWaalsContact O-N 3.11Å; A264-A266 VanDerWaalsContact C-N 3.34Å; A264-A266 PolarHBondContact O-N 3.05Å; A266-C268 VanDerWaalsContact C-N 3.32Å; A266-C268 PolarHBondContact O-N 3.47Å; A266-K269 PolarHBondContact O-N 3.33Å; A266-K270 VanDerWaalsContact O-CB 3.31Å; A266-K270 WeakPolarHBondContact O-CB 3.3Å; A266-K270 WeakPolarHBondContact O-CG 3.4Å; A266-K270 PolarHBondContact O-N 3.3Å
267V96Very high93.5Very high27 Ų2727.9 Ų27.916%0.16414%0.14CC..Hα-helixtrans-58.8-46.9172.9175.50000110.2N88 F90 C263 A264 L265 K270 I271N88-V267 HydrophobicContact CB-CB 4.18Å; N88-V267 HydrophobicContact CB-CG1 4.06Å; F90-V267 HydrophobicContact CZ-CG2 4.06Å; C263-V267 PolarHBondContact O-N 3.21Å; C263-V267 VanDerWaalsContact O-N 3.13Å; A264-V267 PolarHBondContact O-N 3.34Å; L265-V267 VanDerWaalsContact C-N 3.32Å; L265-V267 PolarHBondContact O-N 3.46Å; V267-K270 PolarHBondContact O-N 3.13Å; V267-I271 HydrophobicContact CG1-CD1 4.11Å; V267-I271 WeakPolarHBondContact O-CD1 3.44Å; V267-I271 WeakPolarHBondContact O-CG1 3.41Å; V267-I271 PolarHBondContact O-N 2.83Å
268C97.5Very high93.2Very high0 Ų023.6 Ų23.60%012%0.123CC..Hα-helixtrans-62.7-46.5178.5-64.10000112.9F86 L87 N88 G109 V111 A264 L265 A266 I271 A272F86-C268 HydrophobicContact CB-CB 4.47Å; F86-C268 PolarHBondContact O-SG 3.47Å; F86-C268 VanDerWaalsContact O-SG 3.33Å; L87-C268 VanDerWaalsContact C-SG 3.54Å; N88-C268 PolarHBondContact N-SG 2.86Å; G109-C268 VanDerWaalsContact C-SG 3.59Å; G109-C268 PolarHBondContact O-SG 2.89Å; V111-C268 HydrophobicContact CB-CB 4.4Å; V111-C268 HydrophobicContact CG1-CB 3.77Å; V111-C268 HydrophobicContact CG2-CB 3.95Å; A264-C268 PolarHBondContact O-N 3.29Å; A264-C268 PolarHBondContact O-SG 3.35Å; A264-C268 VanDerWaalsContact O-SG 3.42Å; L265-C268 WeakPolarHBondContact O-CB 3.37Å; L265-C268 PolarHBondContact O-N 2.93Å; L265-C268 VanDerWaalsContact O-N 3.17Å; A266-C268 VanDerWaalsContact C-N 3.32Å; A266-C268 PolarHBondContact O-N 3.47Å; C268-I271 PolarHBondContact O-N 2.87Å; C268-A272 PolarHBondContact O-N 2.92Å
269K95.8Very high93Very high12 Ų1219.7 Ų19.75%0.05210%0.102CC..Hα-helixtrans-62.6-43.6177.3-67.8-165.5174.4-174.50111.5V111 I119 D122 N249 L265 A266 I271 A272 Y273V111-K269 HydrophobicContact CG1-CG 3.8Å; I119-K269 HydrophobicContact CD1-CB 3.97Å; I119-K269 HydrophobicContact CD1-CD 4.4Å; I119-K269 HydrophobicContact CD1-CG 3.89Å; D122-K269 WeakPolarHBondContact OD1-CE 3.36Å; D122-K269 IonicContact OD1-NZ 2.89Å; D122-K269 PolarHBondContact OD1-NZ 3.47Å; N249-K269 PolarHBondContact O-NZ 3.23Å; L265-K269 HydrophobicContact CD1-CG 4.23Å; L265-K269 HydrophobicContact CG-CD 4.37Å; L265-K269 HydrophobicContact CG-CG 4.36Å; L265-K269 WeakPolarHBondContact O-CG 3.31Å; L265-K269 PolarHBondContact O-N 3.19Å; A266-K269 PolarHBondContact O-N 3.33Å; K269-I271 VanDerWaalsContact C-N 3.35Å; K269-I271 PolarHBondContact O-N 3.29Å; K269-A272 WeakPolarHBondContact O-CB 3.39Å; K269-A272 PolarHBondContact O-N 3.09Å; K269-A272 VanDerWaalsContact O-N 3.13Å; K269-Y273 HydrophobicContact CB-CD2 4.36Å; K269-Y273 HydrophobicContact CB-CE2 3.67Å; K269-Y273 WeakPolarHBondContact O-CD2 3.47Å; K269-Y273 PolarHBondContact O-N 2.91Å
270K93.9Very high92.8Very high23 Ų2314.5 Ų14.510%0.17%0.074CC..Hα-helixtrans-62.6-38.4178.2-72.9171.8-166.7172.60112.9W244 D245 A266 V267 A272 Y273 C274W244-K270 HydrophobicContact CB-CG 4.49Å; D245-K270 WeakPolarHBondContact OD1-CE 3.47Å; D245-K270 IonicContact OD1-NZ 3.86Å; D245-K270 PolarHBondContact OD1-NZ 3.33Å; A266-K270 VanDerWaalsContact O-CB 3.31Å; A266-K270 WeakPolarHBondContact O-CB 3.3Å; A266-K270 WeakPolarHBondContact O-CG 3.4Å; A266-K270 PolarHBondContact O-N 3.3Å; V267-K270 PolarHBondContact O-N 3.13Å; K270-A272 VanDerWaalsContact C-N 3.33Å; K270-A272 PolarHBondContact O-N 3.19Å; K270-Y273 PolarHBondContact O-N 3.05Å; K270-C274 WeakPolarHBondContact O-CB 3.47Å; K270-C274 PolarHBondContact O-N 3.28Å; K270-C274 PolarHBondContact O-SG 3.4Å
271I94.8Very high92.3Very high4 Ų418 Ų182%0.02110%0.096CC..Hα-helixtrans-56.4-50.1172.4-70.7158.2000110.3F86 K185 V214 L239 V267 C268 K269 Y273 C274 I275F86-I271 HydrophobicContact CB-CD1 4.48Å; F86-I271 HydrophobicContact CB-CG2 4.34Å; F86-I271 HydrophobicContact CD1-CG2 3.75Å; F86-I271 HydrophobicContact CD2-CB 4.35Å; F86-I271 HydrophobicContact CD2-CG2 3.76Å; F86-I271 HydrophobicContact CE1-CG2 4Å; F86-I271 HydrophobicContact CE2-CG2 3.96Å; F86-I271 HydrophobicContact CG-CB 4.34Å; F86-I271 HydrophobicContact CG-CG2 3.68Å; F86-I271 HydrophobicContact CZ-CG2 4.1Å; K185-I271 HydrophobicContact CG-CD1 3.97Å; K185-I271 HydrophobicContact CG-CG1 4.33Å; V214-I271 HydrophobicContact CB-CG2 4.45Å; V214-I271 HydrophobicContact CG1-CG2 3.63Å; V214-I271 HydrophobicContact CG2-CD1 4.17Å; V214-I271 HydrophobicContact CG2-CG2 3.92Å; L239-I271 HydrophobicContact CD2-CG1 4.38Å; L239-I271 HydrophobicContact CD2-CG2 4.31Å; V267-I271 HydrophobicContact CG1-CD1 4.11Å; V267-I271 WeakPolarHBondContact O-CD1 3.44Å; V267-I271 WeakPolarHBondContact O-CG1 3.41Å; V267-I271 PolarHBondContact O-N 2.83Å; C268-I271 PolarHBondContact O-N 2.87Å; K269-I271 VanDerWaalsContact C-N 3.35Å; K269-I271 PolarHBondContact O-N 3.29Å; I271-Y273 VanDerWaalsContact C-N 3.33Å; I271-Y273 PolarHBondContact O-N 3.01Å; I271-C274 PolarHBondContact O-N 3.18Å; I271-I275 HydrophobicContact CG2-CD1 3.8Å; I271-I275 VanDerWaalsContact O-CG1 3.29Å; I271-I275 WeakPolarHBondContact O-CG1 3.34Å; I271-I275 PolarHBondContact O-N 3.24Å
272A94.9Very high92Very high0 Ų021 Ų210%011%0.112CC..Hα-helixtrans-59.2-43.3177.400000111.9F86 Y113 I119 C268 K269 K270 I275 S276F86-A272 HydrophobicContact CD2-CB 4.13Å; F86-A272 HydrophobicContact CE2-CB 4.1Å; Y113-A272 HydrophobicContact CD2-CB 3.47Å; Y113-A272 VanDerWaalsContact CD2-CB 3.47Å; Y113-A272 HydrophobicContact CE2-CB 3.78Å; Y113-A272 HydrophobicContact CG-CB 4.1Å; I119-A272 HydrophobicContact CD1-CB 3.94Å; I119-A272 HydrophobicContact CG1-CB 3.66Å; C268-A272 PolarHBondContact O-N 2.92Å; K269-A272 WeakPolarHBondContact O-CB 3.39Å; K269-A272 PolarHBondContact O-N 3.09Å; K269-A272 VanDerWaalsContact O-N 3.13Å; K270-A272 VanDerWaalsContact C-N 3.33Å; K270-A272 PolarHBondContact O-N 3.19Å; A272-I275 PolarHBondContact O-N 3.07Å; A272-S276 WeakPolarHBondContact O-CB 3.48Å; A272-S276 PolarHBondContact O-N 3.49Å; A272-S276 PolarHBondContact O-OG 3.17Å
273Y93.1Very high91.5Very high12 Ų1218.4 Ų18.45%0.04710%0.101CC..Hα-helixtrans-65.8-41.9178.2-55.4-33.4000113.3I119 W244 T250 K269 K270 I271 I275 S276 N277 H291 P293I119-Y273 HydrophobicContact CD1-CD1 4.04Å; I119-Y273 HydrophobicContact CD1-CE1 3.32Å; I119-Y273 HydrophobicContact CG1-CE1 4.21Å; W244-Y273 HydrophobicContact CD2-CD2 4.47Å; W244-Y273 HydrophobicContact CE3-CD2 4.4Å; W244-Y273 VanDerWaalsContact CH2-C 3.42Å; W244-Y273 WeakPolarHBondContact CH2-O 3.21Å; T250-Y273 HydrophobicContact CG2-CE2 4Å; K269-Y273 HydrophobicContact CB-CD2 4.36Å; K269-Y273 HydrophobicContact CB-CE2 3.67Å; K269-Y273 WeakPolarHBondContact O-CD2 3.47Å; K269-Y273 PolarHBondContact O-N 2.91Å; K270-Y273 PolarHBondContact O-N 3.05Å; I271-Y273 VanDerWaalsContact C-N 3.33Å; I271-Y273 PolarHBondContact O-N 3.01Å; Y273-I275 VanDerWaalsContact C-N 3.34Å; Y273-I275 PolarHBondContact O-N 2.99Å; Y273-S276 PolarHBondContact O-N 2.65Å; Y273-N277 WeakPolarHBondContact O-CB 3.48Å; Y273-N277 PolarHBondContact O-N 3.15Å; Y273-H291 WeakPolarHBondContact CA-O 3.49Å; Y273-H291 VanDerWaalsContact CD1-O 3.27Å; Y273-H291 WeakPolarHBondContact CD1-O 3.47Å; Y273-P293 HydrophobicContact CD2-CG 3.57Å; Y273-P293 HydrophobicContact CE1-CG 4.41Å; Y273-P293 HydrophobicContact CE2-CB 4.47Å; Y273-P293 HydrophobicContact CE2-CG 3.42Å; Y273-P293 VanDerWaalsContact CE2-CG 3.42Å; Y273-P293 HydrophobicContact CG-CG 4.17Å
274C91.2Very high90.9Very high4 Ų421.7 Ų21.73%0.02713%0.134CC..Hα-helixtrans-57.7-48.3174.7-75.20000110.9L238 L239 W244 K270 I271 S278L238-C274 HydrophobicContact CD2-CB 3.77Å; L238-C274 HydrophobicContact CG-CB 4.49Å; L238-C274 PolarHBondContact O-SG 3.13Å; L239-C274 HydrophobicContact CD2-CB 4Å; W244-C274 HydrophobicContact CZ3-CB 4.21Å; W244-C274 VanDerWaalsContact CZ3-N 3.32Å; W244-C274 WeakPolarHBondContact CZ3-SG 3.44Å; K270-C274 WeakPolarHBondContact O-CB 3.47Å; K270-C274 PolarHBondContact O-N 3.28Å; K270-C274 PolarHBondContact O-SG 3.4Å; I271-C274 PolarHBondContact O-N 3.18Å; C274-S278 WeakPolarHBondContact O-CB 3.49Å; C274-S278 PolarHBondContact O-N 3.04Å; C274-S278 VanDerWaalsContact O-N 3.12Å
275I91.4Very high90.4Very high4 Ų422.4 Ų22.42%0.02114%0.138CC..Hα-helixtrans-63.1-52179.7-70.1172.6000109.8F86 Y113 L115 V214 V218 I271 A272 Y273 N277 S278 L279F86-I275 HydrophobicContact CE1-CD1 4.04Å; F86-I275 HydrophobicContact CE2-CD1 4.02Å; F86-I275 HydrophobicContact CZ-CD1 3.46Å; F86-I275 VanDerWaalsContact CZ-CD1 3.46Å; Y113-I275 HydrophobicContact CE1-CG2 3.94Å; Y113-I275 WeakPolarHBondContact OH-CG2 3.35Å; L115-I275 HydrophobicContact CD1-CG2 4.42Å; V214-I275 HydrophobicContact CG1-CD1 4.09Å; V218-I275 HydrophobicContact CG2-CD1 4.26Å; V218-I275 HydrophobicContact CG2-CG1 4.11Å; I271-I275 HydrophobicContact CG2-CD1 3.8Å; I271-I275 VanDerWaalsContact O-CG1 3.29Å; I271-I275 WeakPolarHBondContact O-CG1 3.34Å; I271-I275 PolarHBondContact O-N 3.24Å; A272-I275 PolarHBondContact O-N 3.07Å; Y273-I275 VanDerWaalsContact C-N 3.34Å; Y273-I275 PolarHBondContact O-N 2.99Å; I275-N277 PolarHBondContact O-N 3.4Å; I275-S278 PolarHBondContact O-N 3.25Å; I275-L279 HydrophobicContact CG2-CD1 4.04Å; I275-L279 VanDerWaalsContact O-CB 3.28Å; I275-L279 WeakPolarHBondContact O-CB 3.44Å; I275-L279 PolarHBondContact O-N 3.07Å
276S91.8Very high89.9Confident0 Ų030.2 Ų30.20%017%0.174CC..Hα-helixtrans-57.3-51.2178.5-61.10000112.6Y113 A272 Y273 S278 L279 A280 H291Y113-S276 WeakPolarHBondContact CE2-OG 3.21Å; Y113-S276 PolarHBondContact OH-N 3.08Å; Y113-S276 PolarHBondContact OH-OG 2.6Å; A272-S276 WeakPolarHBondContact O-CB 3.48Å; A272-S276 PolarHBondContact O-N 3.49Å; A272-S276 PolarHBondContact O-OG 3.17Å; Y273-S276 PolarHBondContact O-N 2.65Å; S276-S278 PolarHBondContact O-N 2.83Å; S276-L279 PolarHBondContact O-N 3.16Å; S276-A280 WeakPolarHBondContact O-CB 3.24Å; S276-A280 PolarHBondContact O-N 2.84Å; S276-H291 WeakPolarHBondContact CB-O 3.4Å; S276-H291 PolarHBondContact OG-O 3.06Å; S276-H291 VanDerWaalsContact OG-O 3.07Å
277N88.5Confident89.7Confident70 Ų7033.3 Ų33.337%0.37419%0.19SC..Hα-helixtrans-62.1-32.1-177.3-175.665.4000112.3W244 Y273 I275 V292W244-N277 HydrophobicContact CH2-CB 4.06Å; W244-N277 HydrophobicContact CZ2-CB 4.13Å; Y273-N277 WeakPolarHBondContact O-CB 3.48Å; Y273-N277 PolarHBondContact O-N 3.15Å; I275-N277 PolarHBondContact O-N 3.4Å; N277-V292 HydrophobicContact CB-CG1 4.04Å
278S85.8Confident89.4Confident24 Ų2435.5 Ų35.517%0.16820%0.204CC..Hα-helixtrans-87-31.8179.4-173.10000114.2L238 C274 I275 S276 L282L238-S278 WeakPolarHBondContact CD1-OG 3.48Å; C274-S278 WeakPolarHBondContact O-CB 3.49Å; C274-S278 PolarHBondContact O-N 3.04Å; C274-S278 VanDerWaalsContact O-N 3.12Å; I275-S278 PolarHBondContact O-N 3.25Å; S276-S278 PolarHBondContact O-N 2.83Å; S278-L282 WeakPolarHBondContact O-CD1 3.21Å
279L86.1Confident89Confident2 Ų241.6 Ų41.61%0.0123%0.232CC..Hα-helixtrans-113.3-38.8-168.4-70.1174.1000113.3L115 I221 Y222 F226 I275 S276 T281 L282 F283L115-L279 HydrophobicContact CD1-CB 4.08Å; I221-L279 HydrophobicContact CD1-CD1 4.31Å; I221-L279 HydrophobicContact CG2-CD1 3.95Å; Y222-L279 HydrophobicContact CD2-CD2 4.05Å; Y222-L279 HydrophobicContact CE2-CD1 4.41Å; Y222-L279 HydrophobicContact CE2-CD2 3.42Å; Y222-L279 VanDerWaalsContact CE2-CD2 3.42Å; Y222-L279 HydrophobicContact CE2-CG 4.24Å; F226-L279 HydrophobicContact CE2-CD2 4.16Å; I275-L279 HydrophobicContact CG2-CD1 4.04Å; I275-L279 VanDerWaalsContact O-CB 3.28Å; I275-L279 WeakPolarHBondContact O-CB 3.44Å; I275-L279 PolarHBondContact O-N 3.07Å; S276-L279 PolarHBondContact O-N 3.16Å; L279-T281 VanDerWaalsContact C-N 3.29Å; L279-T281 PolarHBondContact O-N 2.79Å; L279-T281 VanDerWaalsContact O-N 3.17Å; L279-L282 HydrophobicContact CD2-CD1 4.11Å; L279-L282 WeakPolarHBondContact O-CA 3.49Å; L279-L282 VanDerWaalsContact O-CB 3.3Å; L279-L282 WeakPolarHBondContact O-CB 3.43Å; L279-L282 PolarHBondContact O-N 3.17Å; L279-F283 HydrophobicContact CB-CE2 4.45Å; L279-F283 HydrophobicContact CD2-CE2 4.49Å; L279-F283 WeakPolarHBondContact O-CD2 3.49Å; L279-F283 PolarHBondContact O-N 2.93Å
280A85.8Confident88.9Confident0 Ų042.3 Ų42.30%024%0.241CC..G310 helixtrans-55.9-42.9-169.300000112.5L115 S276 L282 F283 G284 I285 L287L115-A280 HydrophobicContact CD1-CB 4.27Å; S276-A280 WeakPolarHBondContact O-CB 3.24Å; S276-A280 PolarHBondContact O-N 2.84Å; A280-L282 VanDerWaalsContact C-N 3.3Å; A280-L282 PolarHBondContact O-N 3.39Å; A280-F283 CarbonylContact O-C 3.59Å; A280-F283 WeakPolarHBondContact O-CA 3.38Å; A280-F283 PolarHBondContact O-N 3.35Å; A280-G284 PolarHBondContact O-N 3.41Å; A280-I285 HydrophobicContact CB-CB 4.04Å; A280-I285 HydrophobicContact CB-CD1 4.44Å; A280-I285 HydrophobicContact CB-CG2 4.34Å; A280-I285 WeakPolarHBondContact O-CB 3.41Å; A280-I285 PolarHBondContact O-N 3.3Å; A280-L287 HydrophobicContact CB-CD2 3.6Å
281T79.8Confident88.8Confident85 Ų8541.3 Ų41.352%0.52124%0.237SC..G310 helixtrans-64.5-32.517755.50000113L279 F283 G284 L287L279-T281 VanDerWaalsContact C-N 3.29Å; L279-T281 PolarHBondContact O-N 2.79Å; L279-T281 VanDerWaalsContact O-N 3.17Å; T281-F283 PolarHBondContact O-N 2.9Å; T281-G284 PolarHBondContact O-N 3.5Å; T281-G284 VanDerWaalsContact O-N 3.09Å; T281-L287 HydrophobicContact CG2-CD1 4.34Å
282L83.6Confident88.5Confident86 Ų8642.4 Ų42.445%0.4524%0.243SC..G310 helixtrans-70.3-19.3175.2-53.5178.3000112.6F226 S278 L279 A280F226-L282 HydrophobicContact CE1-CB 4.21Å; F226-L282 HydrophobicContact CE1-CD1 4.32Å; F226-L282 HydrophobicContact CE2-CD1 4.03Å; F226-L282 HydrophobicContact CZ-CB 3.67Å; F226-L282 HydrophobicContact CZ-CD1 3.54Å; F226-L282 HydrophobicContact CZ-CG 4.22Å; S278-L282 WeakPolarHBondContact O-CD1 3.21Å; L279-L282 HydrophobicContact CD2-CD1 4.11Å; L279-L282 WeakPolarHBondContact O-CA 3.49Å; L279-L282 VanDerWaalsContact O-CB 3.3Å; L279-L282 WeakPolarHBondContact O-CB 3.43Å; L279-L282 PolarHBondContact O-N 3.17Å; A280-L282 VanDerWaalsContact C-N 3.3Å; A280-L282 PolarHBondContact O-N 3.39Å
283F82.9Confident88.1Confident27 Ų2742.8 Ų42.812%0.11825%0.246CC..G310 helixtrans-97.55.7172.6-74.7-100.2000112.7L79 L80 L115 I221 K225 L279 A280 T281 I285L79-F283 HydrophobicContact CD1-CE1 4.32Å; L79-F283 HydrophobicContact CD1-CZ 4.27Å; L80-F283 HydrophobicContact CD2-CB 4.09Å; L80-F283 HydrophobicContact CD2-CD1 3.89Å; L80-F283 HydrophobicContact CD2-CG 4.25Å; L80-F283 HydrophobicContact CG-CD1 4.27Å; L115-F283 HydrophobicContact CD2-CB 4.47Å; L115-F283 HydrophobicContact CD2-CD1 4.22Å; L115-F283 HydrophobicContact CD2-CD2 3.59Å; L115-F283 HydrophobicContact CD2-CE1 4.32Å; L115-F283 HydrophobicContact CD2-CE2 3.71Å; L115-F283 HydrophobicContact CD2-CG 3.85Å; L115-F283 HydrophobicContact CD2-CZ 4.07Å; I221-F283 HydrophobicContact CG2-CE2 4.18Å; I221-F283 HydrophobicContact CG2-CZ 3.99Å; K225-F283 HydrophobicContact CB-CE1 4.37Å; K225-F283 HydrophobicContact CB-CE2 4.45Å; K225-F283 HydrophobicContact CB-CZ 3.76Å; K225-F283 HydrophobicContact CD-CD1 4.22Å; K225-F283 HydrophobicContact CD-CE1 3.57Å; K225-F283 HydrophobicContact CD-CE2 4.47Å; K225-F283 HydrophobicContact CD-CZ 3.73Å; K225-F283 HydrophobicContact CG-CE1 3.92Å; K225-F283 HydrophobicContact CG-CE2 3.98Å; K225-F283 HydrophobicContact CG-CZ 3.51Å; L279-F283 HydrophobicContact CB-CE2 4.45Å; L279-F283 HydrophobicContact CD2-CE2 4.49Å; L279-F283 WeakPolarHBondContact O-CD2 3.49Å; L279-F283 PolarHBondContact O-N 2.93Å; A280-F283 CarbonylContact O-C 3.59Å; A280-F283 WeakPolarHBondContact O-CA 3.38Å; A280-F283 PolarHBondContact O-N 3.35Å; T281-F283 PolarHBondContact O-N 2.9Å; F283-I285 VanDerWaalsContact C-N 3.25Å; F283-I285 HydrophobicContact CB-CD1 3.81Å; F283-I285 HydrophobicContact CB-CG1 3.98Å; F283-I285 PolarHBondContact O-N 3.01Å
284G84.2Confident86.9Confident69 Ų6946.5 Ų46.571%0.71127%0.266SS*.THydrogen-bonded Turntrans7217.4-178.500000114.1A280 T281A280-G284 PolarHBondContact O-N 3.41Å; T281-G284 PolarHBondContact O-N 3.5Å; T281-G284 VanDerWaalsContact O-N 3.09Å
285I88.1Confident85.5Confident15 Ų1551.4 Ų51.48%0.07729%0.288CS..PPolyproline II helixtrans-85.6131.2-179.4-55.6166.4000108.6L80 L115 A280 F283L80-I285 HydrophobicContact CD2-CD1 3.4Å; L80-I285 VanDerWaalsContact CD2-CD1 3.4Å; L80-I285 HydrophobicContact CD2-CG1 4.14Å; L115-I285 HydrophobicContact CB-CD1 4.48Å; L115-I285 HydrophobicContact CD2-CD1 4.32Å; L115-I285 HydrophobicContact CG-CD1 3.73Å; L115-I285 WeakPolarHBondContact O-CD1 3.42Å; A280-I285 HydrophobicContact CB-CB 4.04Å; A280-I285 HydrophobicContact CB-CD1 4.44Å; A280-I285 HydrophobicContact CB-CG2 4.34Å; A280-I285 WeakPolarHBondContact O-CB 3.41Å; A280-I285 PolarHBondContact O-N 3.3Å; F283-I285 VanDerWaalsContact C-N 3.25Å; F283-I285 HydrophobicContact CB-CD1 3.81Å; F283-I285 HydrophobicContact CB-CG1 3.98Å; F283-I285 PolarHBondContact O-N 3.01Å
286Q88.1Confident83.4Confident171 Ų17155.6 Ų55.680%0.79931%0.311SS*.PPolyproline II helixtrans-76.1126.2171-67.1-171-1.300109.5T288Q286-T288 PolarHBondContact O-N 3.43Å
287L89.8Confident80.6Confident64 Ų6464.4 Ų64.434%0.33535%0.345SS..PPolyproline II helixtrans-68131.2177.5-66.7172.6000110A280 T281 H291 V292A280-L287 HydrophobicContact CB-CD2 3.6Å; T281-L287 HydrophobicContact CG2-CD1 4.34Å; L287-H291 HydrophobicContact CB-CB 4.33Å; L287-H291 HydrophobicContact CD2-CB 3.59Å; L287-V292 HydrophobicContact CB-CG2 4.36Å; L287-V292 HydrophobicContact CD1-CG1 4.49Å; L287-V292 HydrophobicContact CD2-CG1 4.47Å
288T91.3Very high78.2Confident73 Ų7369.3 Ų69.345%0.44837%0.366SS..  trans-113.2178.8172.669.10000110.1Q286 A290 H291 V292Q286-T288 PolarHBondContact O-N 3.43Å; T288-A290 PolarHBondContact O-N 3.47Å; T288-A290 VanDerWaalsContact O-N 3.16Å; T288-A290 PolarHBondContact OG1-N 3.37Å; T288-H291 PolarHBondContact N-ND1 3.14Å; T288-H291 WeakPolarHBondContact O-CB 3.47Å; T288-H291 PolarHBondContact O-N 3.36Å; T288-H291 PolarHBondContact OG1-ND1 2.93Å; T288-V292 PolarHBondContact O-N 3.08Å
289E89Confident75.7Confident128 Ų12869.9 Ų69.960%0.59837%0.372SS*.THydrogen-bonded Turntrans-61.7-19.3174-52.9-179.3-175.600113.7V292 L294E289-V292 CarbonylContact C-O 3.21Å; E289-V292 VanDerWaalsContact C-O 3.27Å; E289-V292 WeakPolarHBondContact CA-O 3.47Å; E289-L294 HydrophobicContact CB-CG 4.11Å; E289-L294 VanDerWaalsContact CD-CG 3.44Å; E289-L294 HydrophobicContact CG-CD1 4.35Å; E289-L294 HydrophobicContact CG-CD2 3.61Å; E289-L294 HydrophobicContact CG-CG 3.63Å; E289-L294 VanDerWaalsContact OE1-CD2 3.24Å; E289-L294 WeakPolarHBondContact OE1-CD2 3.41Å; E289-L294 WeakPolarHBondContact OE2-CD1 3.45Å
290A92.3Very high73.2Confident28 Ų2875.1 Ų75.123%0.23141%0.409CS..THydrogen-bonded Turntrans-80.4-23.4173.300000112.1E117 G118 I119 T288E117-A290 WeakPolarHBondContact O-CB 3.44Å; G118-A290 WeakPolarHBondContact CA-O 3.4Å; I119-A290 WeakPolarHBondContact CG1-O 3.07Å; I119-A290 PolarHBondContact N-O 3.11Å; T288-A290 PolarHBondContact O-N 3.47Å; T288-A290 VanDerWaalsContact O-N 3.16Å; T288-A290 PolarHBondContact OG1-N 3.37Å
291H92.3Very high70.6Confident2 Ų282.3 Ų82.31%0.00945%0.448CS..THydrogen-bonded Turntrans-88.8-36.7-177.4-7292.5000112.8L115 Q116 E117 G118 Y273 S276 L287 T288L115-H291 PolarHBondContact O-NE2 3.11Å; Q116-H291 PolarHBondContact O-CE1 3.13Å; Q116-H291 VanDerWaalsContact O-CE1 3.25Å; Q116-H291 PolarHBondContact O-NE2 2.97Å; E117-H291 VanDerWaalsContact C-CE1 3.42Å; G118-H291 PolarHBondContact N-CE1 3.48Å; G118-H291 PolarHBondContact N-NE2 3.03Å; G118-H291 VanDerWaalsContact N-NE2 3.15Å; Y273-H291 WeakPolarHBondContact CA-O 3.49Å; Y273-H291 VanDerWaalsContact CD1-O 3.27Å; Y273-H291 WeakPolarHBondContact CD1-O 3.47Å; S276-H291 WeakPolarHBondContact CB-O 3.4Å; S276-H291 PolarHBondContact OG-O 3.06Å; S276-H291 VanDerWaalsContact OG-O 3.07Å; L287-H291 HydrophobicContact CB-CB 4.33Å; L287-H291 HydrophobicContact CD2-CB 3.59Å; T288-H291 PolarHBondContact N-ND1 3.14Å; T288-H291 WeakPolarHBondContact O-CB 3.47Å; T288-H291 PolarHBondContact O-N 3.36Å; T288-H291 PolarHBondContact OG1-ND1 2.93Å
292V89.4Confident68.9Low26 Ų2683.7 Ų83.716%0.15846%0.461CS..SBendtrans-140.3148.8174.6-70.30000106.7W244 N277 L287 T288 E289 L294W244-V292 HydrophobicContact CZ2-CG1 4.49Å; N277-V292 HydrophobicContact CB-CG1 4.04Å; L287-V292 HydrophobicContact CB-CG2 4.36Å; L287-V292 HydrophobicContact CD1-CG1 4.49Å; L287-V292 HydrophobicContact CD2-CG1 4.47Å; T288-V292 PolarHBondContact O-N 3.08Å; E289-V292 CarbonylContact C-O 3.21Å; E289-V292 VanDerWaalsContact C-O 3.27Å; E289-V292 WeakPolarHBondContact CA-O 3.47Å; V292-L294 PolarHBondContact O-N 2.93Å
293P85.9Confident66.5Low8 Ų884.9 Ų84.95%0.05247%0.471CS..  trans-52.2145.9175.3-17.828.5000108.9W244 T250 Y273 Q295W244-P293 HydrophobicContact CB-CG 4.1Å; W244-P293 HydrophobicContact CG-CG 3.87Å; T250-P293 HydrophobicContact CG2-CB 4.29Å; T250-P293 HydrophobicContact CG2-CG 3.94Å; Y273-P293 HydrophobicContact CD2-CG 3.57Å; Y273-P293 HydrophobicContact CE1-CG 4.41Å; Y273-P293 HydrophobicContact CE2-CB 4.47Å; Y273-P293 HydrophobicContact CE2-CG 3.42Å; Y273-P293 VanDerWaalsContact CE2-CG 3.42Å; Y273-P293 HydrophobicContact CG-CG 4.17Å; P293-Q295 PolarHBondContact O-N 2.84Å
294L67.6Low64.4Low90 Ų9089.1 Ų89.147%0.47150%0.5SS..  trans-41.1112.3160.1-90165.1000107.2E289 V292 D296E289-L294 HydrophobicContact CB-CG 4.11Å; E289-L294 VanDerWaalsContact CD-CG 3.44Å; E289-L294 HydrophobicContact CG-CD1 4.35Å; E289-L294 HydrophobicContact CG-CD2 3.61Å; E289-L294 HydrophobicContact CG-CG 3.63Å; E289-L294 VanDerWaalsContact OE1-CD2 3.24Å; E289-L294 WeakPolarHBondContact OE1-CD2 3.41Å; E289-L294 WeakPolarHBondContact OE2-CD1 3.45Å; V292-L294 PolarHBondContact O-N 2.93Å; L294-D296 PolarHBondContact O-N 2.61Å
295Q61.8Low62.2Low107 Ų10788.2 Ų88.250%0.548%0.481SS..  trans-58.6117161.6-77.7178.7-22.600103P293 Y297 E298P293-Q295 PolarHBondContact O-N 2.84Å; Q295-Y297 WeakPolarHBondContact CB-O 3.26Å; Q295-Y297 WeakPolarHBondContact O-CA 2.95Å; Q295-Y297 PolarHBondContact O-N 2.92Å; Q295-E298 VanDerWaalsContact OE1-CA 3.27Å
296D46.9Very low59.9Low92 Ų9296.2 Ų96.249%0.49252%0.515SS..SBendtrans-56.8-4.5173.3-68.3-50000111.1P37 S248 L294P37-D296 HydrophobicContact CG-CB 4.18Å; S248-D296 PolarHBondContact OG-OD1 3.4Å; S248-D296 VanDerWaalsContact OG-OD1 3.08Å; L294-D296 PolarHBondContact O-N 2.61Å
297Y33.2Very low57.4Low186 Ų18693.7 Ų93.773%0.72951%0.505SS*.SBendtrans-167.5154.7143.9-153.7-108.7000113.2Q295Q295-Y297 WeakPolarHBondContact CB-O 3.26Å; Q295-Y297 WeakPolarHBondContact O-CA 2.95Å; Q295-Y297 PolarHBondContact O-N 2.92Å
298E39.4Very low54.8Low172 Ų17296.2 Ų96.280%0.80452%0.523SS*.  trans-45.6132-175.9-68.7-161.9166.900115.9Q295Q295-E298 VanDerWaalsContact OE1-CA 3.27Å
299A32.3Very low52.2Low37 Ų3798.9 Ų98.931%0.30654%0.539SS..  trans-137.5114.3161.700000112
300S33.5Very low49.5Very low111 Ų111100.2 Ų100.278%0.77655%0.549SS*.  trans-20.2127.8167.558.50000118.2
301N31.6Very low46.8Very low152 Ų152106 Ų10681%0.81358%0.576SS**SBendtrans20111.9149-67.9-14.8000118.7
302S44.4Very low44.2Very low114 Ų114111.2 Ų111.280%0.79762%0.62SS**  trans51.197.8145.968.40000117.9
303V32.8Very low41.7Very low110 Ų110112.6 Ų112.667%0.66764%0.639SS**  trans-149.7127.4145.2-170.20000110.2P305V303-P305 WeakPolarHBondContact O-CD 3.24Å
304T39.7Very low39.5Very low117 Ų117123.1 Ų123.172%0.71868%0.678SS**  trans-70.3120.8166.946.50000110.9K306T304-K306 PolarHBondContact O-N 3.09Å
305P36.7Very low37.9Very low50 Ų50129.9 Ų129.933%0.32570%0.699SS.*  trans-88.6114176.527.2-18.9000110.5A44 M243 V303A44-P305 HydrophobicContact CB-CB 4.15Å; M243-P305 HydrophobicContact CE-CG 3.91Å; V303-P305 WeakPolarHBondContact O-CD 3.24Å
306K39.2Very low36.5Very low182 Ų182137.7 Ų137.779%0.79174%0.735SS**  trans-82.7130.6154.2-72.7-179.9176.8178.30107.2T304T304-K306 PolarHBondContact O-N 3.09Å
307M36.5Very low36Very low118 Ų118140 Ų14058%0.58175%0.747SS**  trans-169.5152.8139.6-115.4167.736.600115.8V47V47-M307 HydrophobicContact CB-SD 4.38Å; V47-M307 HydrophobicContact CG2-CE 4.28Å; V47-M307 HydrophobicContact CG2-SD 4.3Å
308V35Very low36.2Very low118 Ų118137.6 Ų137.672%0.71575%0.748SS**  trans-68.7128.5-175.81750000111.2L310V308-L310 HydrophobicContact CG1-CD2 4.49Å; V308-L310 PolarHBondContact O-N 3.16Å
309V36.3Very low36Very low129 Ų129135.7 Ų135.778%0.78275%0.745SS**  trans-70.4109162.4178.80000107.2D311V309-D311 PolarHBondContact O-N 3.26Å
310L33.6Very low36.2Very low156 Ų156141.5 Ų141.582%0.81777%0.771SS**  trans-77.6110.7163.8-73.1171.9000107.4V308 A312V308-L310 HydrophobicContact CG1-CD2 4.49Å; V308-L310 PolarHBondContact O-N 3.16Å; L310-A312 PolarHBondContact O-N 2.98Å; L310-A312 VanDerWaalsContact O-N 3.08Å
311D34Very low36.4Very low148 Ų148143.4 Ų143.479%0.79177%0.771SS**  trans-67.999.9177.5-144.2-4.6000108.7V309 G313V309-D311 PolarHBondContact O-N 3.26Å; D311-G313 PolarHBondContact O-N 2.98Å
312A38.3Very low36.7Very low112 Ų112142.8 Ų142.893%0.92677%0.768SS**  trans-80.644.2177.400000111.5L310L310-A312 PolarHBondContact O-N 2.98Å; L310-A312 VanDerWaalsContact O-N 3.08Å
313G37Very low36.1Very low55 Ų55144.9 Ų144.957%0.56777%0.766SS**  trans-135.932.4-165.400000114.8D311D311-G313 PolarHBondContact O-N 2.98Å
314R39.4Very low36.4Very low229 Ų229147.5 Ų147.586%0.86477%0.774SS**  trans-145.776.4161.4-74.9-165.5-177.9178.20.8111.3
315Y34Very low36.1Very low232 Ų232150.1 Ų150.191%0.9178%0.778SS**  trans-134.7118.2147.1-83.2-78000108.1
316Q33.7Very low36.1Very low272 Ų272159.2 Ų159.2100%1.27182%0.82SS**  trans95.40-178.2-56.4-1742.900115

Retrieved 316 of 316 residues in 74.6 ms (Link to these results)

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