A0A077ZA64_TRITR Loading...

Kinesin protein KIF26A

AlphaFold DB , UniProt , Accession A0A077ZA64, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,193 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
1M61.7Low89Confident168 Ų16834.5 Ų34.583%0.82817%0.165SC*.  0-150.60-172.9145.7151.800107
2F83Confident88.1Confident38 Ų3836.1 Ų36.117%0.16718%0.18CC..  trans-109.5132.8145-178.6-102.6000107.4L4 L270 C296 K297 V299 R330F2-L4 HydrophobicContact CE1-CB 4.01Å; F2-L270 HydrophobicContact CE1-CD2 3.94Å; F2-L270 HydrophobicContact CZ-CD2 3.52Å; F2-C296 WeakPolarHBondContact CD2-O 3.32Å; F2-K297 CarbonylContact C-O 3.6Å; F2-K297 WeakPolarHBondContact CA-O 3.29Å; F2-K297 WeakPolarHBondContact CD2-O 3.2Å; F2-V299 HydrophobicContact CE2-CG2 3.81Å; F2-V299 HydrophobicContact CZ-CB 4.14Å; F2-V299 HydrophobicContact CZ-CG2 3.68Å; F2-R330 HydrophobicContact CD1-CB 4.26Å; F2-R330 VanDerWaalsContact CD1-CD 3.4Å; F2-R330 HydrophobicContact CD1-CG 3.78Å; F2-R330 HydrophobicContact CE1-CG 4.36Å; F2-R330 HydrophobicContact CG-CG 4.48Å; F2-R330 VanDerWaalsContact CG-NH1 3.28Å
3Q90.1Very high86.7Confident84 Ų8438.2 Ų38.239%0.39319%0.191SC..EExtended strand (participates in β ladder)trans-126.1135-179.1-78.1160.2-69.600108.5K297 F298 V299Q3-K297 PolarHBondContact N-O 3.08Å; Q3-F298 HydrophobicContact CB-CD2 3.55Å; Q3-F298 HydrophobicContact CB-CE2 3.65Å; Q3-F298 HydrophobicContact CB-CG 4.29Å; Q3-F298 HydrophobicContact CB-CZ 4.47Å; Q3-F298 HydrophobicContact CG-CD2 4.4Å; Q3-F298 HydrophobicContact CG-CE2 4.39Å; Q3-F298 WeakPolarHBondContact O-CA 3.47Å; Q3-V299 PolarHBondContact O-N 2.88Å
4L93.1Very high84.9Confident33 Ų3339.9 Ų39.917%0.17321%0.207CC..EExtended strand (participates in β ladder)trans-126.7130.5174.7174.863.1000106.6F2 V6 L270 V299 V301 L325 L328F2-L4 HydrophobicContact CE1-CB 4.01Å; L4-V6 HydrophobicContact CG-CG2 4.29Å; L4-L270 HydrophobicContact CD1-CD1 4.02Å; L4-L270 HydrophobicContact CD1-CD2 4.2Å; L4-L270 HydrophobicContact CD2-CD1 4.16Å; L4-V299 CarbonylContact C-O 3.5Å; L4-V299 WeakPolarHBondContact CA-O 3.31Å; L4-V299 HydrophobicContact CD1-CB 4Å; L4-V299 HydrophobicContact CD1-CG1 3.94Å; L4-V301 HydrophobicContact CD1-CG2 3.79Å; L4-L325 VanDerWaalsContact CD2-O 3.28Å; L4-L325 WeakPolarHBondContact CD2-O 3.22Å; L4-L328 HydrophobicContact CD2-CB 4.03Å; L4-L328 HydrophobicContact CD2-CD1 4.28Å
5K94.4Very high82.8Confident28 Ų2844.5 Ų44.512%0.12224%0.244CC..EExtended strand (participates in β ladder)trans-122.1131.9176.8-167.5177.2-164.7166.90108.6I7 D63 C78 E82 F298 V299 S300 V301K5-I7 HydrophobicContact CD-CD1 4.38Å; K5-I7 HydrophobicContact CG-CG1 4.35Å; K5-D63 WeakPolarHBondContact CA-OD2 3.26Å; K5-D63 HydrophobicContact CG-CB 3.78Å; K5-C78 WeakPolarHBondContact CE-O 3.5Å; K5-C78 PolarHBondContact NZ-O 3.41Å; K5-E82 WeakPolarHBondContact CE-OE2 3.31Å; K5-E82 IonicContact NZ-OE2 2.95Å; K5-E82 PolarHBondContact NZ-OE2 3.32Å; K5-F298 HydrophobicContact CB-CE1 4Å; K5-F298 HydrophobicContact CB-CZ 4.01Å; K5-F298 HydrophobicContact CD-CZ 4.24Å; K5-V299 PolarHBondContact N-O 2.82Å; K5-S300 CarbonylContact O-C 3.59Å; K5-V301 PolarHBondContact O-N 3.18Å
6V95.4Very high80.9Confident0 Ų050.4 Ų50.40%028%0.275CS..EExtended strand (participates in β ladder)trans-120.8114.7-179.3-1770000109.5L4 Y62 D63 L325 H326L4-V6 HydrophobicContact CG-CG2 4.29Å; V6-Y62 HydrophobicContact CG1-CD1 3.87Å; V6-Y62 HydrophobicContact CG1-CE1 4.31Å; V6-D63 PolarHBondContact N-OD2 3.42Å; V6-D63 WeakPolarHBondContact O-CB 3.29Å; V6-D63 PolarHBondContact O-N 3.25Å; V6-L325 HydrophobicContact CG2-CB 3.93Å; V6-H326 HydrophobicContact CB-CB 4.07Å; V6-H326 HydrophobicContact CG1-CB 4.48Å; V6-H326 HydrophobicContact CG2-CB 4.09Å
7I95.3Very high79.2Confident0 Ų052.1 Ų52.10%028%0.284CS..EExtended strand (participates in β ladder)trans-112.3137.9-179.1-59.5174.8000107.7K5 A64 F66 C78 V301 L302 C303K5-I7 HydrophobicContact CD-CD1 4.38Å; K5-I7 HydrophobicContact CG-CG1 4.35Å; I7-A64 WeakPolarHBondContact CA-O 3.4Å; I7-A64 HydrophobicContact CG1-CB 4.34Å; I7-A64 HydrophobicContact CG2-CB 4.32Å; I7-F66 HydrophobicContact CG2-CD2 3.6Å; I7-F66 HydrophobicContact CG2-CE2 3.55Å; I7-C78 HydrophobicContact CD1-CB 4.15Å; I7-V301 PolarHBondContact N-O 2.86Å; I7-L302 HydrophobicContact CB-CD1 4.13Å; I7-L302 HydrophobicContact CG2-CD1 3.68Å; I7-C303 PolarHBondContact O-N 2.85Å
8V94.8Very high77.3Confident1 Ų154.7 Ų54.71%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-117.9139174-175.20000110.3V35 Y62 A64 A65 F66 C303 I305 L319V8-V35 HydrophobicContact CB-CG2 4.35Å; V8-V35 HydrophobicContact CG1-CG2 4.03Å; V8-Y62 HydrophobicContact CB-CD2 4.21Å; V8-Y62 HydrophobicContact CB-CE2 4.35Å; V8-Y62 HydrophobicContact CG2-CD1 3.65Å; V8-Y62 HydrophobicContact CG2-CD2 3.55Å; V8-Y62 HydrophobicContact CG2-CE1 3.67Å; V8-Y62 HydrophobicContact CG2-CE2 3.56Å; V8-Y62 HydrophobicContact CG2-CG 3.59Å; V8-A64 PolarHBondContact N-O 3.45Å; V8-A65 CarbonylContact O-C 3.53Å; V8-A65 WeakPolarHBondContact O-CA 3.37Å; V8-F66 PolarHBondContact O-N 2.91Å; V8-C303 CarbonylContact C-O 3.59Å; V8-C303 WeakPolarHBondContact CA-O 3.42Å; V8-C303 HydrophobicContact CG2-CB 4.14Å; V8-I305 HydrophobicContact CG1-CD1 3.94Å; V8-I305 HydrophobicContact CG1-CG1 4.14Å; V8-I305 HydrophobicContact CG1-CG2 4.37Å; V8-L319 HydrophobicContact CG1-CD2 4.26Å
9R92.5Very high75.6Confident10 Ų1059.2 Ų59.24%0.03833%0.327CS..EExtended strand (participates in β ladder)trans-125.1126.9174.9-172.5-162.5-171.5-167.7-0.3110.2F66 I75 S108 L302 C303 I305R9-F66 HydrophobicContact CG-CB 4.37Å; R9-I75 HydrophobicContact CG-CD1 3.82Å; R9-S108 PolarHBondContact NH1-OG 3.32Å; R9-L302 HydrophobicContact CB-CD1 4.29Å; R9-C303 PolarHBondContact N-O 3.36Å; R9-I305 WeakPolarHBondContact O-CG1 3.42Å; R9-I305 PolarHBondContact O-N 3.47Å
10L91.4Very high74.2Confident13 Ų1356.7 Ų56.77%0.06831%0.314CS..EExtended strand (participates in β ladder)trans-79124.1163.7-17365.3000109.4I26 V28 F66 I305 A307L10-I26 HydrophobicContact CD1-CB 4.41Å; L10-I26 HydrophobicContact CD1-CD1 4.05Å; L10-I26 HydrophobicContact CD1-CG2 4.24Å; L10-V28 HydrophobicContact CB-CG2 3.85Å; L10-V28 HydrophobicContact CD2-CG2 4.1Å; L10-F66 PolarHBondContact N-O 2.74Å; L10-I305 HydrophobicContact CB-CG1 4.39Å; L10-I305 HydrophobicContact CD1-CD1 4.09Å; L10-I305 HydrophobicContact CD1-CG1 3.85Å; L10-A307 HydrophobicContact CD1-CB 4Å
11L87.6Confident72.9Confident5 Ų558.9 Ų58.93%0.02633%0.328CS..PPolyproline II helixtrans-67.7144.7176.9-65.2175.2000111.2H100 A105 I305L11-H100 HydrophobicContact CD1-CB 3.95Å; L11-A105 HydrophobicContact CB-CB 4.47Å; L11-A105 HydrophobicContact CD2-CB 4.5Å; L11-I305 WeakPolarHBondContact CG-O 3.46Å; L11-I305 PolarHBondContact N-O 3.48Å
12P78.3Confident72.1Confident53 Ų5358.7 Ų58.734%0.34433%0.331SS..PPolyproline II helixtrans-57.4139165.9-22.333.2000111.4
13I69.4Low70.6Confident63 Ų6359.3 Ų59.332%0.32334%0.34SS..PPolyproline II helixtrans-80.5129.4173.9-60.5157.9000107.8S15 C20 A307I13-S15 PolarHBondContact O-N 2.83Å; I13-C20 HydrophobicContact CG2-CB 4.2Å; I13-A307 HydrophobicContact CD1-CB 3.85Å; I13-A307 HydrophobicContact CG1-CB 3.8Å
14P61.2Low69.4Low63 Ų6364 Ų6441%0.40935%0.354SS..PPolyproline II helixtrans-57.3137171.9-2535.2000111.6D16P14-D16 PolarHBondContact O-N 3.04Å
15S54Low69Low109 Ų10963 Ų6376%0.76235%0.348SS*.THydrogen-bonded Turntrans-57.6-19.9-172.842.20000115.4I13 N17I13-S15 PolarHBondContact O-N 2.83Å; S15-N17 VanDerWaalsContact C-N 3.35Å; S15-N17 PolarHBondContact O-N 3.47Å
16D51.8Low68.7Low139 Ų13961.9 Ų61.974%0.74334%0.343SS*.THydrogen-bonded Turntrans-91.12.4-159.3-53.9-8.6000113.2P14 P18P14-D16 PolarHBondContact O-N 3.04Å; D16-P18 WeakPolarHBondContact O-CD 3.35Å
17N52.3Low68.4Low79 Ų7964.4 Ų64.442%0.42237%0.365SS..  trans-111.883.4176.8-168.3-1.9000112.6S15 N19 C20S15-N17 VanDerWaalsContact C-N 3.35Å; S15-N17 PolarHBondContact O-N 3.47Å; N17-N19 PolarHBondContact O-N 3.28Å; N17-N19 WeakPolarHBondContact OD1-CB 3.11Å; N17-N19 PolarHBondContact OD1-N 2.6Å; N17-N19 PolarHBondContact OD1-ND2 2.82Å; N17-C20 WeakPolarHBondContact O-CB 3.5Å; N17-C20 PolarHBondContact O-N 3.06Å; N17-C20 VanDerWaalsContact O-N 3.07Å
18P44.8Very low68.3Low99 Ų9966.1 Ų66.164%0.64338%0.375SS*.G310 helixtrans-62.7-15.4179.225.6-34.9000113.9D16 C20D16-P18 WeakPolarHBondContact O-CD 3.35Å; P18-C20 PolarHBondContact O-N 2.94Å
19N45.1Very low68.1Low139 Ų13968.1 Ų68.174%0.74339%0.386SS*.G310 helixtrans-74.8-11176-53.6-63.9000113.3N17N17-N19 PolarHBondContact O-N 3.28Å; N17-N19 WeakPolarHBondContact OD1-CB 3.11Å; N17-N19 PolarHBondContact OD1-N 2.6Å; N17-N19 PolarHBondContact OD1-ND2 2.82Å
20C48.7Very low68.1Low10 Ų1070.1 Ų70.17%0.06840%0.401CS..G310 helixtrans-79-20.6-177.6-1630000113.7I13 N17 P18 D22 S23I13-C20 HydrophobicContact CG2-CB 4.2Å; N17-C20 WeakPolarHBondContact O-CB 3.5Å; N17-C20 PolarHBondContact O-N 3.06Å; N17-C20 VanDerWaalsContact O-N 3.07Å; P18-C20 PolarHBondContact O-N 2.94Å; C20-D22 VanDerWaalsContact C-N 3.34Å; C20-D22 PolarHBondContact O-N 2.93Å; C20-S23 PolarHBondContact O-N 3.35Å
21V45.7Very low68.1Low102 Ų10280.7 Ų80.762%0.61844%0.44SS*.THydrogen-bonded Turntrans-62.4-37.8-166-175.20000112.9
22D45.3Very low68.4Low164 Ų16486 Ų8688%0.87747%0.465SS*.THydrogen-bonded Turntrans-88.54.5-175.7-80-28.3000114.9C20C20-D22 VanDerWaalsContact C-N 3.34Å; C20-D22 PolarHBondContact O-N 2.93Å
23S51.8Low69.1Low52 Ų5290.1 Ų90.136%0.36447%0.473SS..  trans-132.342.8-173.7-131.60000115.6C20 Y25 Q40C20-S23 PolarHBondContact O-N 3.35Å; S23-Y25 WeakPolarHBondContact O-CD1 3.45Å; S23-Y25 PolarHBondContact O-N 3.18Å; S23-Q40 PolarHBondContact OG-NE2 3.12Å
24R65.3Low70.3Confident183 Ų18388.9 Ų88.969%0.69147%0.466SS*.  trans-68.380.1167.7-79.7-170.8-79.7-177.6-6.5112I26R24-I26 VanDerWaalsContact C-N 3.27Å
25Y83.5Confident71.9Confident10 Ų1085.9 Ų85.94%0.03945%0.447CS..  trans-75-17.3171.470.5-89.7000112.8S23 L37 A38 Q40 A307 D308 P309 Y312S23-Y25 WeakPolarHBondContact O-CD1 3.45Å; S23-Y25 PolarHBondContact O-N 3.18Å; Y25-L37 HydrophobicContact CD2-CD1 3.52Å; Y25-L37 HydrophobicContact CE2-CD1 3.63Å; Y25-L37 WeakPolarHBondContact O-CA 3.44Å; Y25-A38 PolarHBondContact O-N 2.95Å; Y25-Q40 VanDerWaalsContact CD1-CD 3.46Å; Y25-Q40 HydrophobicContact CD1-CG 4.4Å; Y25-Q40 HydrophobicContact CG-CG 3.99Å; Y25-A307 WeakPolarHBondContact CE1-O 3.35Å; Y25-D308 PolarHBondContact OH-O 2.8Å; Y25-P309 HydrophobicContact CD1-CG 4.44Å; Y25-P309 HydrophobicContact CE1-CB 4.3Å; Y25-P309 HydrophobicContact CE1-CG 4.15Å; Y25-Y312 AromaticContact CD2-CD2 3.42Å; Y25-Y312 HydrophobicContact CD2-CD2 3.42Å; Y25-Y312 VanDerWaalsContact CD2-CD2 3.42Å; Y25-Y312 AromaticContact CD2-CE2 3.49Å; Y25-Y312 HydrophobicContact CD2-CE2 3.49Å; Y25-Y312 VanDerWaalsContact CD2-CE2 3.49Å; Y25-Y312 HydrophobicContact CE1-CD2 4.49Å; Y25-Y312 AromaticContact CE2-CD2 3.23Å; Y25-Y312 HydrophobicContact CE2-CD2 3.23Å; Y25-Y312 AromaticContact CE2-CE2 3.7Å; Y25-Y312 HydrophobicContact CE2-CE2 3.7Å; Y25-Y312 HydrophobicContact CE2-CG 4.18Å; Y25-Y312 HydrophobicContact CG-CD2 4.17Å; Y25-Y312 HydrophobicContact CG-CE2 4.34Å; Y25-Y312 AromaticContact CZ-CD2 3.82Å; Y25-Y312 WeakPolarHBondContact OH-CA 3.18Å
26I88.5Confident73.7Confident5 Ų583.6 Ų83.63%0.02642%0.423CS..EExtended strand (participates in β ladder)trans-100.6131.6167.7-41.5-168.1000108.9L10 R24 V35 L37 I305 S306L10-I26 HydrophobicContact CD1-CB 4.41Å; L10-I26 HydrophobicContact CD1-CD1 4.05Å; L10-I26 HydrophobicContact CD1-CG2 4.24Å; R24-I26 VanDerWaalsContact C-N 3.27Å; I26-V35 HydrophobicContact CG2-CG1 3.59Å; I26-L37 HydrophobicContact CD1-CD1 4.29Å; I26-L37 HydrophobicContact CG1-CD1 3.78Å; I26-I305 HydrophobicContact CD1-CD1 4.29Å; I26-I305 HydrophobicContact CG2-CD1 4.16Å; I26-S306 WeakPolarHBondContact CD1-O 3.15Å
27A89.2Confident75.5Confident54 Ų5477 Ų7745%0.44639%0.388SS..EExtended strand (participates in β ladder)trans-125.6129.5165.400000109.3K36A27-K36 HydrophobicContact CB-CB 4.44Å; A27-K36 PolarHBondContact N-O 3.41Å; A27-K36 PolarHBondContact O-N 3.05Å
28V92.2Very high77Confident36 Ų3674.8 Ų74.822%0.21838%0.381CS..EExtended strand (participates in β ladder)trans-97.7139.7172.3-175.10000109.1L10 V35 A65L10-V28 HydrophobicContact CB-CG2 3.85Å; L10-V28 HydrophobicContact CD2-CG2 4.1Å; V28-V35 HydrophobicContact CG2-CG2 4.35Å; V28-A65 HydrophobicContact CG1-CB 3.85Å
29D92Very high78.3Confident43 Ų4373.1 Ų73.123%0.2336%0.364CS..EExtended strand (participates in β ladder)trans-125.382.9177.3-175.4-22.3000107.2R31 Q32 R33 Q34 K36D29-R31 PolarHBondContact O-N 3.23Å; D29-Q32 HydrophobicContact CB-CB 4.26Å; D29-Q32 VanDerWaalsContact CG-CB 3.49Å; D29-Q32 CarbonylContact O-C 3.23Å; D29-Q32 PolarHBondContact O-N 3.49Å; D29-Q32 VanDerWaalsContact O-N 3.16Å; D29-Q32 WeakPolarHBondContact OD1-CB 3.23Å; D29-Q32 WeakPolarHBondContact OD1-CG 3.31Å; D29-Q32 PolarHBondContact OD1-N 2.9Å; D29-Q32 VanDerWaalsContact OD2-CG 3.3Å; D29-Q32 WeakPolarHBondContact OD2-CG 3.19Å; D29-R33 PolarHBondContact O-N 2.97Å; D29-Q34 HydrophobicContact CB-CB 4.24Å; D29-Q34 PolarHBondContact N-O 2.99Å; D29-Q34 PolarHBondContact O-N 3.44Å; D29-K36 IonicContact OD2-NZ 2.67Å; D29-K36 PolarHBondContact OD2-NZ 3.48Å
30S91.5Very high79.2Confident51 Ų5168.6 Ų68.636%0.35734%0.338SS..THydrogen-bonded Turntrans-60.8-31.3-172.8-41.10000111.9R33 A65 D70S30-R33 PolarHBondContact O-N 3.49Å; S30-A65 VanDerWaalsContact CA-O 3.31Å; S30-A65 WeakPolarHBondContact CA-O 3.46Å; S30-A65 WeakPolarHBondContact CB-O 3.36Å; S30-A65 PolarHBondContact OG-O 3.24Å; S30-D70 PolarHBondContact OG-OD2 2.81Å
31R92.2Very high79.4Confident235 Ų23574.7 Ų74.789%0.88736%0.361SS*.THydrogen-bonded Turntrans-66.4-46.5175.1-66.7-174.8178.8-164.3-1.4112.1D29 R33D29-R31 PolarHBondContact O-N 3.23Å; R31-R33 PolarHBondContact O-N 3.28Å
32Q93Very high79.7Confident117 Ų11774.1 Ų74.155%0.54735%0.353SS..THydrogen-bonded Turntrans-81.1-1.6175.3-63.3-66.6-38.900113.3D29 Q34D29-Q32 HydrophobicContact CB-CB 4.26Å; D29-Q32 VanDerWaalsContact CG-CB 3.49Å; D29-Q32 CarbonylContact O-C 3.23Å; D29-Q32 PolarHBondContact O-N 3.49Å; D29-Q32 VanDerWaalsContact O-N 3.16Å; D29-Q32 WeakPolarHBondContact OD1-CB 3.23Å; D29-Q32 WeakPolarHBondContact OD1-CG 3.31Å; D29-Q32 PolarHBondContact OD1-N 2.9Å; D29-Q32 VanDerWaalsContact OD2-CG 3.3Å; D29-Q32 WeakPolarHBondContact OD2-CG 3.19Å; Q32-Q34 HydrophobicContact CB-CB 4.17Å; Q32-Q34 HydrophobicContact CB-CG 4.11Å; Q32-Q34 WeakPolarHBondContact O-CG 3.02Å; Q32-Q34 PolarHBondContact O-N 2.65Å
33R94.3Very high79.8Confident140 Ų14071.7 Ų71.753%0.52835%0.35SS..THydrogen-bonded Turntrans53.240.7-174.4-52.8168.8-176.5-146.811.2111.7D29 S30 R31 Y62 D63D29-R33 PolarHBondContact O-N 2.97Å; S30-R33 PolarHBondContact O-N 3.49Å; R31-R33 PolarHBondContact O-N 3.28Å; R33-Y62 WeakPolarHBondContact CB-O 3.47Å; R33-Y62 PolarHBondContact O-N 2.97Å; R33-D63 WeakPolarHBondContact CD-O 3.47Å; R33-D63 PolarHBondContact NH1-O 3.16Å
34Q94.8Very high79.6Confident36 Ų3672.8 Ų72.817%0.16837%0.369CS..EExtended strand (participates in β ladder)trans-120.1144.7-170.6-83.2167.734.500112.8D29 Q32 T59 F60 T61D29-Q34 HydrophobicContact CB-CB 4.24Å; D29-Q34 PolarHBondContact N-O 2.99Å; D29-Q34 PolarHBondContact O-N 3.44Å; Q32-Q34 HydrophobicContact CB-CB 4.17Å; Q32-Q34 HydrophobicContact CB-CG 4.11Å; Q32-Q34 WeakPolarHBondContact O-CG 3.02Å; Q32-Q34 PolarHBondContact O-N 2.65Å; Q34-T59 HydrophobicContact CB-CG2 4.19Å; Q34-T59 HydrophobicContact CG-CG2 3.86Å; Q34-F60 CarbonylContact C-O 3.55Å; Q34-F60 VanDerWaalsContact CA-O 3.25Å; Q34-F60 WeakPolarHBondContact CA-O 3.35Å; Q34-T61 HydrophobicContact CG-CG2 3.6Å
35V93.9Very high78.5Confident0 Ų073.4 Ų73.40%037%0.371CS..EExtended strand (participates in β ladder)trans-112.4122.8162.2-175.10000108.1V8 I26 V28 T59 F60 Y62 A65 I305 L319V8-V35 HydrophobicContact CB-CG2 4.35Å; V8-V35 HydrophobicContact CG1-CG2 4.03Å; I26-V35 HydrophobicContact CG2-CG1 3.59Å; V28-V35 HydrophobicContact CG2-CG2 4.35Å; V35-T59 WeakPolarHBondContact O-CA 3.43Å; V35-F60 PolarHBondContact N-O 2.72Å; V35-F60 PolarHBondContact O-N 3.19Å; V35-Y62 HydrophobicContact CB-CE2 4.23Å; V35-Y62 HydrophobicContact CG2-CD2 4.2Å; V35-Y62 HydrophobicContact CG2-CE2 3.91Å; V35-A65 HydrophobicContact CG2-CB 4.2Å; V35-I305 HydrophobicContact CG1-CD1 3.96Å; V35-L319 HydrophobicContact CB-CD2 3.98Å; V35-L319 HydrophobicContact CG1-CD1 4.18Å; V35-L319 HydrophobicContact CG1-CD2 3.96Å; V35-L319 HydrophobicContact CG2-CD2 4.2Å
36K92.4Very high76.6Confident62 Ų6283.2 Ų83.227%0.2741%0.408SS..EExtended strand (participates in β ladder)trans-106.8124.9180-69.6160.1-177.6168.50107.9A27 D29 V57 T59A27-K36 HydrophobicContact CB-CB 4.44Å; A27-K36 PolarHBondContact N-O 3.41Å; A27-K36 PolarHBondContact O-N 3.05Å; D29-K36 IonicContact OD2-NZ 2.67Å; D29-K36 PolarHBondContact OD2-NZ 3.48Å; K36-V57 HydrophobicContact CB-CG1 4.06Å; K36-T59 HydrophobicContact CG-CG2 3.94Å
37L90Very high74.6Confident0 Ų089.7 Ų89.70%044%0.442CS..EExtended strand (participates in β ladder)trans-126.3109.3-169.8-17669.7000109.7Y25 I26 V57 K58 F60 Y312 M316 L319Y25-L37 HydrophobicContact CD2-CD1 3.52Å; Y25-L37 HydrophobicContact CE2-CD1 3.63Å; Y25-L37 WeakPolarHBondContact O-CA 3.44Å; I26-L37 HydrophobicContact CD1-CD1 4.29Å; I26-L37 HydrophobicContact CG1-CD1 3.78Å; L37-V57 WeakPolarHBondContact O-CA 3.49Å; L37-K58 HydrophobicContact CB-CB 4.44Å; L37-K58 PolarHBondContact N-O 3.32Å; L37-K58 PolarHBondContact O-N 2.88Å; L37-F60 HydrophobicContact CB-CE2 4.2Å; L37-F60 HydrophobicContact CD2-CE2 4.03Å; L37-Y312 HydrophobicContact CD1-CE2 4.22Å; L37-Y312 HydrophobicContact CG-CE2 4.48Å; L37-M316 HydrophobicContact CD2-CB 4.45Å; L37-M316 HydrophobicContact CD2-CE 3.4Å; L37-M316 HydrophobicContact CD2-SD 3.68Å; L37-M316 HydrophobicContact CG-CE 4.43Å; L37-L319 HydrophobicContact CD2-CD1 3.94Å
38A83.9Confident72.2Confident33 Ų3391.2 Ų91.227%0.27345%0.45SS..  trans-70.6144.2172.800000110.9Y25 Q40 Y312Y25-A38 PolarHBondContact O-N 2.95Å; A38-Q40 PolarHBondContact O-N 3.11Å; A38-Y312 WeakPolarHBondContact O-CE2 3.47Å; A38-Y312 PolarHBondContact O-OH 3.07Å; A38-Y312 VanDerWaalsContact O-OH 3.04Å
39E70.4Confident69.9Low63 Ų6394.7 Ų94.729%0.29448%0.482SS..  trans-72.6102.9173.3-154.393-126.600109.7T56 K58E39-T56 PolarHBondContact OE2-OG1 3.26Å; E39-K58 IonicContact OE1-NZ 3.26Å; E39-K58 PolarHBondContact OE1-NZ 3.18Å; E39-K58 WeakPolarHBondContact OE2-CE 3.28Å; E39-K58 IonicContact OE2-NZ 3.6Å; E39-K58 PolarHBondContact OE2-NZ 3.07Å
40Q64.2Low67.4Low44 Ų4498.1 Ų98.121%0.20651%0.505CS..  trans-80.7162.9167.5-76.6-170-30.600110.7S23 Y25 A38 I42 Y312S23-Q40 PolarHBondContact OG-NE2 3.12Å; Y25-Q40 VanDerWaalsContact CD1-CD 3.46Å; Y25-Q40 HydrophobicContact CD1-CG 4.4Å; Y25-Q40 HydrophobicContact CG-CG 3.99Å; A38-Q40 PolarHBondContact O-N 3.11Å; Q40-I42 PolarHBondContact O-N 3.32Å; Q40-Y312 HydrophobicContact CB-CD2 3.87Å; Q40-Y312 HydrophobicContact CB-CE2 3.83Å; Q40-Y312 HydrophobicContact CG-CD2 4.2Å; Q40-Y312 HydrophobicContact CG-CE2 4.18Å
41Y53Low64.8Low138 Ų13899.4 Ų99.454%0.54153%0.526SS..  trans-69.784.5-171.5-63.8-68.9000113.7S43 R45 R46 L47Y41-S43 PolarHBondContact O-N 3.32Å; Y41-R45 WeakPolarHBondContact CD1-O 3.49Å; Y41-R46 HydrophobicContact CE2-CG 4.49Å; Y41-L47 HydrophobicContact CD1-CG 4.34Å; Y41-L47 HydrophobicContact CE1-CB 4.01Å; Y41-L47 HydrophobicContact CE1-CD1 4.38Å; Y41-L47 HydrophobicContact CE1-CG 4.06Å; Y41-L47 VanDerWaalsContact CE1-N 3.29Å
42I53Low62.3Low90 Ų9093 Ų9346%0.46252%0.523SS..THydrogen-bonded Turntrans-57125.4168.7-54.6177.6000109Q40 Y312 L313Q40-I42 PolarHBondContact O-N 3.32Å; I42-Y312 HydrophobicContact CD1-CE1 4.43Å; I42-Y312 HydrophobicContact CG1-CE1 4.43Å; I42-L313 HydrophobicContact CD1-CD2 4.43Å
43S46.9Very low59.7Low114 Ų11497.6 Ų97.680%0.79754%0.541SS*.THydrogen-bonded Turntrans65.337.5175.4-54.30000117.1Y41 R45Y41-S43 PolarHBondContact O-N 3.32Å; S43-R45 PolarHBondContact O-N 2.77Å
44G46.7Very low57.4Low75 Ų7594.4 Ų94.477%0.77355%0.552SS**SBendtrans71.7-8.2154.500000117.7
45R43.6Very low55.5Low196 Ų19697.1 Ų97.174%0.7458%0.575SS**PPolyproline II helixtrans-80118.4165.1-79.6-172.9169.3-162.6-3.9109.4Y41 S43 L47Y41-R45 WeakPolarHBondContact CD1-O 3.49Å; S43-R45 PolarHBondContact O-N 2.77Å; R45-L47 PolarHBondContact O-N 2.88Å
46R42.9Very low54.6Low215 Ų215101.3 Ų101.381%0.81160%0.601SS**PPolyproline II helixtrans-53.7126.6151.1-82.5-173.6174.8-174.1-1.3107.5Y41 S48Y41-R46 HydrophobicContact CE2-CG 4.49Å; R46-S48 PolarHBondContact O-N 2.97Å
47L46.5Very low54.2Low142 Ų142102 Ų10274%0.74361%0.61SS**PPolyproline II helixtrans-56.1121.3160-67170.7000106.6Y41 R45 A49Y41-L47 HydrophobicContact CD1-CG 4.34Å; Y41-L47 HydrophobicContact CE1-CB 4.01Å; Y41-L47 HydrophobicContact CE1-CD1 4.38Å; Y41-L47 HydrophobicContact CE1-CG 4.06Å; Y41-L47 VanDerWaalsContact CE1-N 3.29Å; R45-L47 PolarHBondContact O-N 2.88Å; L47-A49 PolarHBondContact O-N 2.86Å
48S39Very low54.3Low86 Ų86105.5 Ų105.560%0.60163%0.626SS**PPolyproline II helixtrans-54.8134.2179.6179.90000109.3R46 T50R46-S48 PolarHBondContact O-N 2.97Å; S48-T50 WeakPolarHBondContact CB-OG1 3.41Å; S48-T50 PolarHBondContact O-N 2.81Å; S48-T50 WeakPolarHBondContact OG-CG2 3.43Å; S48-T50 PolarHBondContact OG-OG1 2.79Å
49A44.7Very low54.7Low109 Ų109107.4 Ų107.490%0.90163%0.634SS**SBendtrans-69.421.9-177.400000113.9L47L47-A49 PolarHBondContact O-N 2.86Å
50T39.4Very low55.9Low114 Ų114105.5 Ų105.570%0.69962%0.624SS**SBendtrans-106.575.3-171.654.30000111.1S48S48-T50 WeakPolarHBondContact CB-OG1 3.41Å; S48-T50 PolarHBondContact O-N 2.81Å; S48-T50 WeakPolarHBondContact OG-CG2 3.43Å; S48-T50 PolarHBondContact OG-OG1 2.79Å
51G35.2Very low57.3Low78 Ų78106.7 Ų106.780%0.80464%0.635SS**SBendtrans96.50.6148.700000120.1
52A40.5Very low59.4Low100 Ų100100.4 Ų100.483%0.82661%0.61SS**  trans-87.3134.1174.200000112.1
53K38.9Very low61.4Low214 Ų21498.4 Ų98.493%0.9360%0.6SS**  trans-87.5124.7-177.7-67.8179.2179178.40112.2
54G45.4Very low63.7Low73 Ų7393.5 Ų93.575%0.75357%0.567SS**  trans86.9127.4161.700000115.4
55S56.3Low65.9Low94 Ų9490 Ų9066%0.65753%0.531SS*.  trans-72130.5161.242.60000109.5V57S55-V57 PolarHBondContact O-N 2.79Å
56T74.5Confident68.3Low87 Ų8781.8 Ų81.853%0.53450%0.5SS..  trans-7787.5-178.736.80000111.2E39 K58E39-T56 PolarHBondContact OE2-OG1 3.26Å; T56-K58 PolarHBondContact O-N 3.27Å
57V84.1Confident70.5Confident78 Ų7872 Ų7247%0.47347%0.467SS..  trans-70.7110.8170.7-177.50000109.1K36 L37 S55K36-V57 HydrophobicContact CB-CG1 4.06Å; L37-V57 WeakPolarHBondContact O-CA 3.49Å; S55-V57 PolarHBondContact O-N 2.79Å
58K91Very high72.4Confident73 Ų7367.1 Ų67.132%0.31744%0.444SS..EExtended strand (participates in β ladder)trans-82.6127173.8-70.9163.1-179.6166.30108.6L37 E39 T56 F60 M316L37-K58 HydrophobicContact CB-CB 4.44Å; L37-K58 PolarHBondContact N-O 3.32Å; L37-K58 PolarHBondContact O-N 2.88Å; E39-K58 IonicContact OE1-NZ 3.26Å; E39-K58 PolarHBondContact OE1-NZ 3.18Å; E39-K58 WeakPolarHBondContact OE2-CE 3.28Å; E39-K58 IonicContact OE2-NZ 3.6Å; E39-K58 PolarHBondContact OE2-NZ 3.07Å; T56-K58 PolarHBondContact O-N 3.27Å; K58-F60 HydrophobicContact CB-CE2 4.02Å; K58-F60 HydrophobicContact CB-CZ 4.26Å; K58-M316 HydrophobicContact CD-CE 3.93Å; K58-M316 HydrophobicContact CD-SD 4.36Å
59T93.1Very high74.6Confident73 Ų7370 Ų7045%0.44845%0.453SS..EExtended strand (participates in β ladder)trans-116.1129.6-179-56.50000109.8Q34 V35 K36Q34-T59 HydrophobicContact CB-CG2 4.19Å; Q34-T59 HydrophobicContact CG-CG2 3.86Å; V35-T59 WeakPolarHBondContact O-CA 3.43Å; K36-T59 HydrophobicContact CG-CG2 3.94Å
60F94.7Very high76.6Confident22 Ų2266.6 Ų66.610%0.09642%0.42CS..EExtended strand (participates in β ladder)trans-119.1134.5178.7-53.1-92.3000109.6Q34 V35 L37 K58 Y62 M316 L319 Q320Q34-F60 CarbonylContact C-O 3.55Å; Q34-F60 VanDerWaalsContact CA-O 3.25Å; Q34-F60 WeakPolarHBondContact CA-O 3.35Å; V35-F60 PolarHBondContact N-O 2.72Å; V35-F60 PolarHBondContact O-N 3.19Å; L37-F60 HydrophobicContact CB-CE2 4.2Å; L37-F60 HydrophobicContact CD2-CE2 4.03Å; K58-F60 HydrophobicContact CB-CE2 4.02Å; K58-F60 HydrophobicContact CB-CZ 4.26Å; F60-Y62 HydrophobicContact CB-CE2 3.51Å; F60-Y62 VanDerWaalsContact CB-OH 3.23Å; F60-Y62 WeakPolarHBondContact CB-OH 3.48Å; F60-M316 HydrophobicContact CZ-SD 4.32Å; F60-L319 HydrophobicContact CD1-CB 4.38Å; F60-L319 HydrophobicContact CD2-CB 4.08Å; F60-L319 HydrophobicContact CD2-CD1 4.2Å; F60-L319 HydrophobicContact CD2-CD2 4.34Å; F60-L319 HydrophobicContact CD2-CG 4.44Å; F60-L319 HydrophobicContact CE1-CB 4.22Å; F60-L319 HydrophobicContact CE2-CB 3.92Å; F60-L319 HydrophobicContact CE2-CD1 4.04Å; F60-L319 HydrophobicContact CE2-CG 4.48Å; F60-L319 HydrophobicContact CG-CB 4.31Å; F60-L319 HydrophobicContact CZ-CB 3.98Å; F60-Q320 HydrophobicContact CE1-CG 4.43Å
61T95.1Very high79Confident69 Ų6962.6 Ų62.642%0.42340%0.396SS..EExtended strand (participates in β ladder)trans-105.9148.1177.746.60000111.4Q34 H326Q34-T61 HydrophobicContact CG-CG2 3.6Å; T61-H326 PolarHBondContact O-CE1 3.46Å; T61-H326 PolarHBondContact O-ND1 3.44Å
62Y95.5Very high81.5Confident7 Ų759 Ų593%0.02736%0.359CS..  trans-145.3172-173.7-60.8-68.5000112.4V6 V8 R33 V35 F60 A64 L319 S322 H326V6-Y62 HydrophobicContact CG1-CD1 3.87Å; V6-Y62 HydrophobicContact CG1-CE1 4.31Å; V8-Y62 HydrophobicContact CB-CD2 4.21Å; V8-Y62 HydrophobicContact CB-CE2 4.35Å; V8-Y62 HydrophobicContact CG2-CD1 3.65Å; V8-Y62 HydrophobicContact CG2-CD2 3.55Å; V8-Y62 HydrophobicContact CG2-CE1 3.67Å; V8-Y62 HydrophobicContact CG2-CE2 3.56Å; V8-Y62 HydrophobicContact CG2-CG 3.59Å; R33-Y62 WeakPolarHBondContact CB-O 3.47Å; R33-Y62 PolarHBondContact O-N 2.97Å; V35-Y62 HydrophobicContact CB-CE2 4.23Å; V35-Y62 HydrophobicContact CG2-CD2 4.2Å; V35-Y62 HydrophobicContact CG2-CE2 3.91Å; F60-Y62 HydrophobicContact CB-CE2 3.51Å; F60-Y62 VanDerWaalsContact CB-OH 3.23Å; F60-Y62 WeakPolarHBondContact CB-OH 3.48Å; Y62-A64 VanDerWaalsContact C-N 3.31Å; Y62-A64 WeakPolarHBondContact CB-O 3.48Å; Y62-L319 HydrophobicContact CE2-CD2 4.08Å; Y62-L319 WeakPolarHBondContact OH-CD2 3.26Å; Y62-L319 PolarHBondContact OH-O 3.49Å; Y62-L319 VanDerWaalsContact OH-O 3.09Å; Y62-S322 WeakPolarHBondContact CE1-OG 3.42Å; Y62-S322 PolarHBondContact OH-OG 3.43Å; Y62-H326 HydrophobicContact CD1-CB 4.48Å
63D94.8Very high83.9Confident47 Ų4756.7 Ų56.725%0.25133%0.334SS..SBendtrans-68.3-34.1172.8-65.2-78000111.6K5 V6 R33 H326K5-D63 WeakPolarHBondContact CA-OD2 3.26Å; K5-D63 HydrophobicContact CG-CB 3.78Å; V6-D63 PolarHBondContact N-OD2 3.42Å; V6-D63 WeakPolarHBondContact O-CB 3.29Å; V6-D63 PolarHBondContact O-N 3.25Å; R33-D63 WeakPolarHBondContact CD-O 3.47Å; R33-D63 PolarHBondContact NH1-O 3.16Å; D63-H326 IonicContact OD2-CD2 3.47Å
64A95.2Very high86.5Confident11 Ų1151.1 Ų51.19%0.09131%0.311CS..EExtended strand (participates in β ladder)trans-151.5151.2165.300000110.3I7 V8 Y62 F66I7-A64 WeakPolarHBondContact CA-O 3.4Å; I7-A64 HydrophobicContact CG1-CB 4.34Å; I7-A64 HydrophobicContact CG2-CB 4.32Å; V8-A64 PolarHBondContact N-O 3.45Å; Y62-A64 VanDerWaalsContact C-N 3.31Å; Y62-A64 WeakPolarHBondContact CB-O 3.48Å; A64-F66 HydrophobicContact CB-CD2 4.47Å; A64-F66 HydrophobicContact CB-CE2 3.84Å; A64-F66 HydrophobicContact CB-CZ 4.31Å
65A94.7Very high88.7Confident3 Ų347.7 Ų47.73%0.02528%0.276CS..EExtended strand (participates in β ladder)trans-133.8132.9172.200000108.4V8 V28 S30 V35V8-A65 CarbonylContact O-C 3.53Å; V8-A65 WeakPolarHBondContact O-CA 3.37Å; V28-A65 HydrophobicContact CG1-CB 3.85Å; S30-A65 VanDerWaalsContact CA-O 3.31Å; S30-A65 WeakPolarHBondContact CA-O 3.46Å; S30-A65 WeakPolarHBondContact CB-O 3.36Å; S30-A65 PolarHBondContact OG-O 3.24Å; V35-A65 HydrophobicContact CG2-CB 4.2Å
66F93.3Very high90.5Very high22 Ų2243.2 Ų43.210%0.09625%0.245CC..EExtended strand (participates in β ladder)trans-121.6136.5-175.3-67.2-79.4000110.8I7 V8 R9 L10 A64 D70 E74 I75 C78I7-F66 HydrophobicContact CG2-CD2 3.6Å; I7-F66 HydrophobicContact CG2-CE2 3.55Å; V8-F66 PolarHBondContact O-N 2.91Å; R9-F66 HydrophobicContact CG-CB 4.37Å; L10-F66 PolarHBondContact N-O 2.74Å; A64-F66 HydrophobicContact CB-CD2 4.47Å; A64-F66 HydrophobicContact CB-CE2 3.84Å; A64-F66 HydrophobicContact CB-CZ 4.31Å; F66-D70 WeakPolarHBondContact CA-OD2 3.4Å; F66-D70 HydrophobicContact CB-CB 4.11Å; F66-D70 HydrophobicContact CD1-CB 3.77Å; F66-D70 HydrophobicContact CG-CB 4.42Å; F66-E74 HydrophobicContact CE1-CB 4.09Å; F66-I75 HydrophobicContact CB-CD1 4.34Å; F66-I75 HydrophobicContact CB-CG1 4.18Å; F66-I75 HydrophobicContact CD1-CG1 3.92Å; F66-I75 HydrophobicContact CD2-CG1 3.71Å; F66-I75 HydrophobicContact CE1-CG1 4.15Å; F66-I75 HydrophobicContact CE2-CB 4.43Å; F66-I75 HydrophobicContact CE2-CG1 3.95Å; F66-I75 HydrophobicContact CG-CD1 4.36Å; F66-I75 HydrophobicContact CG-CG1 3.68Å; F66-I75 HydrophobicContact CZ-CG1 4.15Å; F66-C78 HydrophobicContact CE2-CB 4.18Å; F66-C78 HydrophobicContact CZ-CB 3.89Å
67G89.8Confident91.4Very high11 Ų1141 Ų4111%0.11323%0.233CC..  trans-80-171.4176.100000113.3D69 D70G67-D69 VanDerWaalsContact C-N 3.3Å; G67-D70 PolarHBondContact N-OD2 3.06Å
68C85Confident91.9Very high38 Ų3838.8 Ų38.826%0.25722%0.22SC..SBendtrans-72.1-24.4174.248.30000113.3
69D84.8Confident92.1Very high146 Ų14635.4 Ų35.478%0.78121%0.206SC*.SBendtrans-93.4-10.5-172.6-45.8-37.4000112.7G67G67-D69 VanDerWaalsContact C-N 3.3Å
70D87.9Confident92.2Very high39 Ų3931.9 Ų31.921%0.20918%0.184CC..SBendtrans-80137.6-174.9-63.9-23.4000111.6S30 F66 G67S30-D70 PolarHBondContact OG-OD2 2.81Å; F66-D70 WeakPolarHBondContact CA-OD2 3.4Å; F66-D70 HydrophobicContact CB-CB 4.11Å; F66-D70 HydrophobicContact CD1-CB 3.77Å; F66-D70 HydrophobicContact CG-CB 4.42Å; G67-D70 PolarHBondContact N-OD2 3.06Å
71S88.4Confident92.2Very high29 Ų2936.7 Ų36.720%0.20321%0.205CC..  trans-74.6153.2-170.2760000114.1T73 E74 I75S71-T73 VanDerWaalsContact C-N 3.26Å; S71-T73 PolarHBondContact O-N 2.85Å; S71-E74 VanDerWaalsContact CB-OE1 3.28Å; S71-E74 WeakPolarHBondContact CB-OE1 3.49Å; S71-E74 PolarHBondContact N-OE1 3.21Å; S71-E74 PolarHBondContact O-N 2.91Å; S71-E74 WeakPolarHBondContact OG-CG 3.47Å; S71-E74 PolarHBondContact OG-N 2.74Å; S71-E74 PolarHBondContact OG-OE1 2.9Å; S71-I75 WeakPolarHBondContact O-CG1 3.2Å; S71-I75 PolarHBondContact O-N 2.87Å
72L89.7Confident92.1Very high4 Ų436.3 Ų36.32%0.02120%0.199CC..Hα-helixtrans-63.8-32.4173.1-85.6173.8000112E74 I75 C76 Q106 S118L72-E74 VanDerWaalsContact C-N 3.32Å; L72-E74 PolarHBondContact O-N 2.93Å; L72-I75 HydrophobicContact CD2-CD1 4.27Å; L72-I75 PolarHBondContact O-N 3.21Å; L72-C76 VanDerWaalsContact O-CB 3.26Å; L72-C76 WeakPolarHBondContact O-CB 3.03Å; L72-C76 PolarHBondContact O-N 3.18Å; L72-C76 PolarHBondContact O-SG 3.43Å; L72-Q106 VanDerWaalsContact CD1-OE1 3.25Å; L72-S118 VanDerWaalsContact CD1-O 3.26Å; L72-S118 WeakPolarHBondContact CD1-O 3.35Å
73T90.8Very high92.2Very high50 Ų5036 Ų3631%0.30720%0.197SC..Hα-helixtrans-59.2-40174.9-52.60000112.8S71 S77 A116 Q117S71-T73 VanDerWaalsContact C-N 3.26Å; S71-T73 PolarHBondContact O-N 2.85Å; T73-S77 VanDerWaalsContact O-CB 3.27Å; T73-S77 WeakPolarHBondContact O-CB 3.45Å; T73-S77 PolarHBondContact O-N 3.08Å; T73-S77 PolarHBondContact O-OG 3.37Å; T73-A116 PolarHBondContact OG1-O 3.08Å; T73-Q117 WeakPolarHBondContact OG1-CA 3.33Å
74E91.7Very high92.2Very high98 Ų9833.8 Ų33.846%0.45819%0.186SC..Hα-helixtrans-68.6-42.8177.7-71.7160.6-99.600111.8F66 S71 L72 S77 C78F66-E74 HydrophobicContact CE1-CB 4.09Å; S71-E74 VanDerWaalsContact CB-OE1 3.28Å; S71-E74 WeakPolarHBondContact CB-OE1 3.49Å; S71-E74 PolarHBondContact N-OE1 3.21Å; S71-E74 PolarHBondContact O-N 2.91Å; S71-E74 WeakPolarHBondContact OG-CG 3.47Å; S71-E74 PolarHBondContact OG-N 2.74Å; S71-E74 PolarHBondContact OG-OE1 2.9Å; L72-E74 VanDerWaalsContact C-N 3.32Å; L72-E74 PolarHBondContact O-N 2.93Å; E74-S77 PolarHBondContact O-N 2.82Å; E74-C78 WeakPolarHBondContact O-CB 3.35Å; E74-C78 PolarHBondContact O-N 3.38Å
75I92.7Very high92.1Very high0 Ų037.2 Ų37.20%020%0.2CC..Hα-helixtrans-62.6-47.3176.8-63.4161.7000110.4R9 F66 S71 L72 S77 C78 S79 L302R9-I75 HydrophobicContact CG-CD1 3.82Å; F66-I75 HydrophobicContact CB-CD1 4.34Å; F66-I75 HydrophobicContact CB-CG1 4.18Å; F66-I75 HydrophobicContact CD1-CG1 3.92Å; F66-I75 HydrophobicContact CD2-CG1 3.71Å; F66-I75 HydrophobicContact CE1-CG1 4.15Å; F66-I75 HydrophobicContact CE2-CB 4.43Å; F66-I75 HydrophobicContact CE2-CG1 3.95Å; F66-I75 HydrophobicContact CG-CD1 4.36Å; F66-I75 HydrophobicContact CG-CG1 3.68Å; F66-I75 HydrophobicContact CZ-CG1 4.15Å; S71-I75 WeakPolarHBondContact O-CG1 3.2Å; S71-I75 PolarHBondContact O-N 2.87Å; L72-I75 HydrophobicContact CD2-CD1 4.27Å; L72-I75 PolarHBondContact O-N 3.21Å; I75-S77 VanDerWaalsContact C-N 3.35Å; I75-S77 PolarHBondContact O-N 3.5Å; I75-C78 PolarHBondContact O-N 3.13Å; I75-S79 WeakPolarHBondContact O-CB 3.24Å; I75-S79 PolarHBondContact O-N 3.06Å; I75-L302 HydrophobicContact CG2-CD1 3.81Å; I75-L302 HydrophobicContact CG2-CD2 3.92Å
76C94.6Very high92.1Very high1 Ų137.5 Ų37.51%0.00720%0.202CC..Hα-helixtrans-58.5-45.4173.5-71.40000111.2L72 C78 S79 L80 V121 C124L72-C76 VanDerWaalsContact O-CB 3.26Å; L72-C76 WeakPolarHBondContact O-CB 3.03Å; L72-C76 PolarHBondContact O-N 3.18Å; L72-C76 PolarHBondContact O-SG 3.43Å; C76-C78 PolarHBondContact O-N 3.2Å; C76-S79 PolarHBondContact O-N 2.8Å; C76-L80 HydrophobicContact CB-CD1 4.22Å; C76-L80 WeakPolarHBondContact O-CB 3.42Å; C76-L80 VanDerWaalsContact O-CG 3.25Å; C76-L80 WeakPolarHBondContact O-CG 3.47Å; C76-L80 PolarHBondContact O-N 2.66Å; C76-V121 VanDerWaalsContact SG-CA 3.55Å; C76-V121 PolarHBondContact SG-N 2.77Å; C76-V121 VanDerWaalsContact SG-N 3.38Å; C76-C124 HydrophobicContact CB-CB 3.98Å
77S93.6Very high92.2Very high41 Ų4136.5 Ų36.529%0.28720%0.197SC..Hα-helixtrans-63.2-44.8179.9-61.60000112.3T73 E74 I75 S79 F81T73-S77 VanDerWaalsContact O-CB 3.27Å; T73-S77 WeakPolarHBondContact O-CB 3.45Å; T73-S77 PolarHBondContact O-N 3.08Å; T73-S77 PolarHBondContact O-OG 3.37Å; E74-S77 PolarHBondContact O-N 2.82Å; I75-S77 VanDerWaalsContact C-N 3.35Å; I75-S77 PolarHBondContact O-N 3.5Å; S77-S79 VanDerWaalsContact C-N 3.34Å; S77-S79 PolarHBondContact O-N 2.8Å; S77-F81 WeakPolarHBondContact O-CB 3.44Å; S77-F81 PolarHBondContact O-N 2.98Å
78C93.5Very high92.3Very high30 Ų3036.3 Ų36.320%0.20319%0.194CC..Hα-helixtrans-63.6-38.6176.8-168.30000112.2K5 I7 F66 E74 I75 C76K5-C78 WeakPolarHBondContact CE-O 3.5Å; K5-C78 PolarHBondContact NZ-O 3.41Å; I7-C78 HydrophobicContact CD1-CB 4.15Å; F66-C78 HydrophobicContact CE2-CB 4.18Å; F66-C78 HydrophobicContact CZ-CB 3.89Å; E74-C78 WeakPolarHBondContact O-CB 3.35Å; E74-C78 PolarHBondContact O-N 3.38Å; I75-C78 PolarHBondContact O-N 3.13Å; C76-C78 PolarHBondContact O-N 3.2Å
79S94.5Very high92.6Very high2 Ų239 Ų391%0.01421%0.206CC..Hα-helixtrans-79.7-34.9-177.3-166.50000113.9I75 C76 S77 V83 V95 S300I75-S79 WeakPolarHBondContact O-CB 3.24Å; I75-S79 PolarHBondContact O-N 3.06Å; C76-S79 PolarHBondContact O-N 2.8Å; S77-S79 VanDerWaalsContact C-N 3.34Å; S77-S79 PolarHBondContact O-N 2.8Å; S79-V83 VanDerWaalsContact O-CG2 3.22Å; S79-V83 WeakPolarHBondContact O-CG2 3.43Å; S79-V95 WeakPolarHBondContact OG-CG1 3.37Å; S79-S300 PolarHBondContact OG-OG 2.83Å
80L96.3Very high92.9Very high0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-96.1-20.7-168.8-66.2172.2000115.3C76 E82 V83 T84 V95 V121 C124 A125 W128C76-L80 HydrophobicContact CB-CD1 4.22Å; C76-L80 WeakPolarHBondContact O-CB 3.42Å; C76-L80 VanDerWaalsContact O-CG 3.25Å; C76-L80 WeakPolarHBondContact O-CG 3.47Å; C76-L80 PolarHBondContact O-N 2.66Å; L80-E82 PolarHBondContact O-N 3.5Å; L80-V83 PolarHBondContact O-N 3.48Å; L80-T84 HydrophobicContact CB-CG2 4.34Å; L80-T84 WeakPolarHBondContact O-CB 3.47Å; L80-T84 WeakPolarHBondContact O-CG2 3.49Å; L80-T84 PolarHBondContact O-N 3.43Å; L80-T84 PolarHBondContact O-OG1 3.4Å; L80-V95 HydrophobicContact CD2-CG2 4.2Å; L80-V121 HydrophobicContact CD2-CG1 3.93Å; L80-V121 HydrophobicContact CG-CG1 4.35Å; L80-C124 HydrophobicContact CD1-CB 3.69Å; L80-A125 HydrophobicContact CD1-CB 4.08Å; L80-A125 HydrophobicContact CD2-CB 3.72Å; L80-W128 HydrophobicContact CB-CE3 3.93Å; L80-W128 HydrophobicContact CB-CZ3 4.1Å
81F94.4Very high93.2Very high123 Ų12335 Ų3554%0.53919%0.191SC..Hα-helixtrans-56.3-55.2-171.9-177.9-107.1000113.4S77 T84 Q85S77-F81 WeakPolarHBondContact O-CB 3.44Å; S77-F81 PolarHBondContact O-N 2.98Å; F81-T84 PolarHBondContact O-OG1 2.92Å; F81-Q85 VanDerWaalsContact CE1-NE2 3.34Å; F81-Q85 VanDerWaalsContact O-CG 3.31Å; F81-Q85 WeakPolarHBondContact O-CG 3.11Å; F81-Q85 PolarHBondContact O-NE2 3.01Å
82E93.8Very high93.5Very high60 Ų6033.9 Ų33.928%0.2818%0.183SC..Hα-helixtrans-77.3-35-179.1-62.2164.192.200112.1K5 L80 Q85 S86 F298K5-E82 WeakPolarHBondContact CE-OE2 3.31Å; K5-E82 IonicContact NZ-OE2 2.95Å; K5-E82 PolarHBondContact NZ-OE2 3.32Å; L80-E82 PolarHBondContact O-N 3.5Å; E82-Q85 PolarHBondContact O-N 3.12Å; E82-S86 PolarHBondContact O-N 2.73Å; E82-F298 HydrophobicContact CB-CD2 3.92Å; E82-F298 HydrophobicContact CB-CE1 4.27Å; E82-F298 HydrophobicContact CB-CE2 3.33Å; E82-F298 HydrophobicContact CB-CZ 3.54Å; E82-F298 HydrophobicContact CG-CE2 4.06Å; E82-F298 HydrophobicContact CG-CZ 4.21Å; E82-F298 WeakPolarHBondContact OE1-CE2 3.3Å
83V95.9Very high93.8Very high0 Ų033.7 Ų33.70%018%0.182CC..Hα-helixtrans-58-51177.8167.40000111.1S79 L80 Q85 S86 V87 A93 V95 L238 F298S79-V83 VanDerWaalsContact O-CG2 3.22Å; S79-V83 WeakPolarHBondContact O-CG2 3.43Å; L80-V83 PolarHBondContact O-N 3.48Å; V83-Q85 VanDerWaalsContact C-N 3.34Å; V83-Q85 PolarHBondContact O-N 3.3Å; V83-S86 PolarHBondContact O-N 3Å; V83-V87 VanDerWaalsContact O-CG2 3.28Å; V83-V87 WeakPolarHBondContact O-CG2 3.18Å; V83-V87 PolarHBondContact O-N 3.26Å; V83-A93 HydrophobicContact CG1-CB 3.94Å; V83-V95 HydrophobicContact CG1-CG2 3.91Å; V83-V95 HydrophobicContact CG2-CG2 4.15Å; V83-L238 HydrophobicContact CG1-CD1 3.33Å; V83-L238 HydrophobicContact CG1-CD2 4.38Å; V83-L238 HydrophobicContact CG1-CG 4.5Å; V83-F298 HydrophobicContact CG2-CD1 3.43Å; V83-F298 VanDerWaalsContact CG2-CD1 3.43Å; V83-F298 HydrophobicContact CG2-CE1 3.75Å; V83-F298 HydrophobicContact CG2-CG 4.31Å
84T95.5Very high94Very high2 Ų231.3 Ų31.31%0.01217%0.168CC..Hα-helixtrans-66.4-36.2-179.754.20000111.9L80 F81 V87 L88 W128 I129L80-T84 HydrophobicContact CB-CG2 4.34Å; L80-T84 WeakPolarHBondContact O-CB 3.47Å; L80-T84 WeakPolarHBondContact O-CG2 3.49Å; L80-T84 PolarHBondContact O-N 3.43Å; L80-T84 PolarHBondContact O-OG1 3.4Å; F81-T84 PolarHBondContact O-OG1 2.92Å; T84-V87 PolarHBondContact O-N 2.93Å; T84-L88 WeakPolarHBondContact O-CB 3.48Å; T84-L88 VanDerWaalsContact O-CD1 3.27Å; T84-L88 WeakPolarHBondContact O-CD1 3.15Å; T84-L88 WeakPolarHBondContact O-CG 3.37Å; T84-L88 PolarHBondContact O-N 2.93Å; T84-W128 HydrophobicContact CG2-CB 4.44Å; T84-I129 HydrophobicContact CG2-CD1 3.8Å; T84-I129 HydrophobicContact CG2-CG1 4.04Å
85Q93.5Very high94.3Very high83 Ų8326.7 Ų26.739%0.38815%0.146SC..Hα-helixtrans-64.7-45.1175.3-70.2174.127.600113.1F81 E82 V83 V87 L88 N89F81-Q85 VanDerWaalsContact CE1-NE2 3.34Å; F81-Q85 VanDerWaalsContact O-CG 3.31Å; F81-Q85 WeakPolarHBondContact O-CG 3.11Å; F81-Q85 PolarHBondContact O-NE2 3.01Å; E82-Q85 PolarHBondContact O-N 3.12Å; V83-Q85 VanDerWaalsContact C-N 3.34Å; V83-Q85 PolarHBondContact O-N 3.3Å; Q85-V87 VanDerWaalsContact C-N 3.33Å; Q85-V87 PolarHBondContact O-N 3.3Å; Q85-L88 PolarHBondContact O-N 2.75Å; Q85-N89 PolarHBondContact O-N 3.09Å; Q85-N89 VanDerWaalsContact O-N 3.13Å; Q85-N89 PolarHBondContact O-ND2 3.14Å
86S93.9Very high94.4Very high9 Ų926.7 Ų26.76%0.06315%0.146CC..Hα-helixtrans-59.8-44.5176.5-176.30000110.8E82 V83 L88 N89 G90 E91E82-S86 PolarHBondContact O-N 2.73Å; V83-S86 PolarHBondContact O-N 3Å; S86-L88 PolarHBondContact O-N 2.79Å; S86-N89 PolarHBondContact O-N 2.94Å; S86-G90 PolarHBondContact O-N 2.92Å; S86-E91 WeakPolarHBondContact O-CB 3.35Å; S86-E91 PolarHBondContact O-N 3.24Å; S86-E91 WeakPolarHBondContact OG-CB 3.4Å; S86-E91 PolarHBondContact OG-OE2 3.34Å
87V95.6Very high94.3Very high0 Ų026.7 Ų26.70%015%0.146CC..Hα-helixtrans-60.6-42.3176.4172.70000112.6V83 T84 Q85 N89 G90 E91 A93 I129 I218 S236 L238V83-V87 VanDerWaalsContact O-CG2 3.28Å; V83-V87 WeakPolarHBondContact O-CG2 3.18Å; V83-V87 PolarHBondContact O-N 3.26Å; T84-V87 PolarHBondContact O-N 2.93Å; Q85-V87 VanDerWaalsContact C-N 3.33Å; Q85-V87 PolarHBondContact O-N 3.3Å; V87-N89 PolarHBondContact O-N 2.83Å; V87-G90 PolarHBondContact O-N 3.29Å; V87-E91 WeakPolarHBondContact CA-O 3.47Å; V87-A93 HydrophobicContact CG2-CB 3.57Å; V87-I129 HydrophobicContact CB-CD1 4.43Å; V87-I129 HydrophobicContact CG1-CD1 4.08Å; V87-I218 HydrophobicContact CG1-CD1 3.33Å; V87-S236 VanDerWaalsContact O-CB 3.26Å; V87-S236 WeakPolarHBondContact O-CB 3.46Å; V87-S236 PolarHBondContact O-OG 2.89Å; V87-L238 HydrophobicContact CG1-CB 4.36Å; V87-L238 HydrophobicContact CG2-CB 3.97Å; V87-L238 HydrophobicContact CG2-CD1 4.46Å
88L93Very high94Very high8 Ų824.8 Ų24.84%0.04213%0.133CC..Hα-helixtrans-70.8-14.1176.7-69160.3000113.8T84 Q85 S86 L132 I133 R136 Q220T84-L88 WeakPolarHBondContact O-CB 3.48Å; T84-L88 VanDerWaalsContact O-CD1 3.27Å; T84-L88 WeakPolarHBondContact O-CD1 3.15Å; T84-L88 WeakPolarHBondContact O-CG 3.37Å; T84-L88 PolarHBondContact O-N 2.93Å; Q85-L88 PolarHBondContact O-N 2.75Å; S86-L88 PolarHBondContact O-N 2.79Å; L88-L132 HydrophobicContact CD1-CB 3.41Å; L88-L132 VanDerWaalsContact CD1-CB 3.41Å; L88-L132 HydrophobicContact CD1-CD1 3.68Å; L88-L132 HydrophobicContact CD1-CG 4.12Å; L88-L132 HydrophobicContact CD2-CB 4.38Å; L88-I133 HydrophobicContact CD2-CG1 3.78Å; L88-R136 PolarHBondContact O-NE 2.82Å; L88-R136 PolarHBondContact O-NH1 3.49Å; L88-R136 PolarHBondContact O-NH2 3.44Å; L88-Q220 PolarHBondContact O-OE1 3.23Å
89N90.7Very high93.7Very high95 Ų9523.4 Ų23.451%0.50812%0.123SC..THydrogen-bonded Turntrans-93.86.4174.1-69.6-28.4000112.9Q85 S86 V87 R136Q85-N89 PolarHBondContact O-N 3.09Å; Q85-N89 VanDerWaalsContact O-N 3.13Å; Q85-N89 PolarHBondContact O-ND2 3.14Å; S86-N89 PolarHBondContact O-N 2.94Å; V87-N89 PolarHBondContact O-N 2.83Å; N89-R136 PolarHBondContact OD1-NH1 3.14Å; N89-R136 PolarHBondContact OD1-NH2 3.48Å
90G91.1Very high93.2Very high39 Ų3923.4 Ų23.440%0.40212%0.123SC..THydrogen-bonded Turntrans84.816.5177.800000114.5S86 V87S86-G90 PolarHBondContact O-N 2.92Å; V87-G90 PolarHBondContact O-N 3.29Å
91E93Very high92.2Very high60 Ų6025.2 Ų25.228%0.2813%0.134SC..  trans-99.4153.9175-60.5-175.2136.900110.7S86 V87 S236 K297S86-E91 WeakPolarHBondContact O-CB 3.35Å; S86-E91 PolarHBondContact O-N 3.24Å; S86-E91 WeakPolarHBondContact OG-CB 3.4Å; S86-E91 PolarHBondContact OG-OE2 3.34Å; V87-E91 WeakPolarHBondContact CA-O 3.47Å; E91-S236 WeakPolarHBondContact O-CB 3.38Å; E91-K297 HydrophobicContact CB-CB 4.34Å; E91-K297 HydrophobicContact CB-CG 3.71Å; E91-K297 VanDerWaalsContact CD-CG 3.45Å; E91-K297 HydrophobicContact CG-CG 3.84Å; E91-K297 WeakPolarHBondContact OE1-CG 3.47Å
92D95.1Very high90.4Very high7 Ų720 Ų204%0.03712%0.116CC..EExtended strand (participates in β ladder)trans-82.9143.8170.8-70.6-23.5000109.9R237 Q295 C296 K297D92-R237 WeakPolarHBondContact CA-O 3.47Å; D92-R237 WeakPolarHBondContact OD1-CB 3.1Å; D92-R237 PolarHBondContact OD1-N 3.19Å; D92-R237 IonicContact OD1-NE 2.76Å; D92-R237 PolarHBondContact OD1-NE 2.93Å; D92-R237 IonicContact OD2-CZ 2.68Å; D92-R237 VanDerWaalsContact OD2-CZ 3.3Å; D92-R237 IonicContact OD2-NE 2.78Å; D92-R237 PolarHBondContact OD2-NE 3.05Å; D92-R237 IonicContact OD2-NH2 2.81Å; D92-R237 PolarHBondContact OD2-NH2 3.23Å; D92-Q295 HydrophobicContact CB-CB 4.25Å; D92-Q295 PolarHBondContact N-O 2.93Å; D92-Q295 VanDerWaalsContact N-O 3.11Å; D92-Q295 WeakPolarHBondContact OD2-CB 3.33Å; D92-C296 HydrophobicContact CB-CB 4.42Å; D92-C296 CarbonylContact O-C 3.56Å; D92-C296 VanDerWaalsContact O-CA 3.3Å; D92-C296 WeakPolarHBondContact O-CA 3.22Å; D92-K297 PolarHBondContact O-N 2.94Å
93A96.5Very high88.2Confident0 Ų022.2 Ų22.20%014%0.138CC..EExtended strand (participates in β ladder)trans-136.4160.7172.900000112V83 V87 R237 H239 F298V83-A93 HydrophobicContact CG1-CB 3.94Å; V87-A93 HydrophobicContact CG2-CB 3.57Å; A93-R237 PolarHBondContact N-O 3.27Å; A93-H239 PolarHBondContact O-N 2.81Å; A93-F298 CarbonylContact C-O 3.56Å; A93-F298 VanDerWaalsContact CA-O 3.28Å; A93-F298 WeakPolarHBondContact CA-O 3.48Å; A93-F298 HydrophobicContact CB-CB 4.11Å
94C95.9Very high85.6Confident0 Ų026.1 Ų26.10%018%0.178CC..EExtended strand (participates in β ladder)trans-138.2141.8-179.3-171.90000112H239 F298 V299 S300C94-H239 CarbonylContact C-O 3.55Å; C94-H239 VanDerWaalsContact CA-O 3.23Å; C94-H239 WeakPolarHBondContact CA-O 3.14Å; C94-H239 HydrophobicContact CB-CB 4.22Å; C94-H239 PolarHBondContact SG-O 3.45Å; C94-H239 VanDerWaalsContact SG-O 3.37Å; C94-F298 PolarHBondContact N-O 2.76Å; C94-V299 HydrophobicContact CB-CG2 4.38Å; C94-V299 CarbonylContact O-C 3.56Å; C94-V299 WeakPolarHBondContact O-CA 3.5Å; C94-S300 PolarHBondContact O-N 3.04Å
95V96.7Very high83.4Confident0 Ų026.8 Ų26.80%018%0.183CC..EExtended strand (participates in β ladder)trans-115.1133.6162-165.50000108.4S79 L80 V83 F109 V121 L238 H239 L240 I241 S300S79-V95 WeakPolarHBondContact OG-CG1 3.37Å; L80-V95 HydrophobicContact CD2-CG2 4.2Å; V83-V95 HydrophobicContact CG1-CG2 3.91Å; V83-V95 HydrophobicContact CG2-CG2 4.15Å; V95-F109 HydrophobicContact CB-CZ 4.06Å; V95-F109 HydrophobicContact CG1-CE2 4.05Å; V95-F109 HydrophobicContact CG1-CZ 3.76Å; V95-V121 HydrophobicContact CB-CG1 4.44Å; V95-V121 HydrophobicContact CG1-CG1 4.07Å; V95-L238 HydrophobicContact CG2-CD1 4.43Å; V95-H239 PolarHBondContact N-O 2.92Å; V95-L240 HydrophobicContact CB-CD2 3.79Å; V95-L240 HydrophobicContact CG2-CD2 3.68Å; V95-I241 PolarHBondContact O-N 3.28Å; V95-S300 CarbonylContact C-O 3.54Å; V95-S300 WeakPolarHBondContact CA-O 3.3Å
96L94.4Very high81.6Confident0 Ų025.4 Ų25.40%018%0.177CC..EExtended strand (participates in β ladder)trans-119.1128.8-179.6-70.3147.2000110.1I241 L243 L266 L287 I291 V299 S300 V301 L302L96-I241 CarbonylContact C-O 3.51Å; L96-I241 VanDerWaalsContact CA-O 3.27Å; L96-I241 WeakPolarHBondContact CA-O 3.4Å; L96-I241 HydrophobicContact CD2-CB 3.74Å; L96-I241 HydrophobicContact CD2-CD1 4.13Å; L96-I241 HydrophobicContact CD2-CG2 3.72Å; L96-L243 HydrophobicContact CD2-CD1 4.02Å; L96-L243 HydrophobicContact CD2-CG 4.41Å; L96-L266 HydrophobicContact CD1-CD2 4.23Å; L96-L266 HydrophobicContact CD2-CD2 4.45Å; L96-L287 HydrophobicContact CD2-CD2 4.02Å; L96-I291 HydrophobicContact CD1-CD1 3.68Å; L96-I291 HydrophobicContact CD1-CG1 4.36Å; L96-I291 HydrophobicContact CD2-CD1 4.06Å; L96-I291 HydrophobicContact CG-CD1 4.42Å; L96-V299 HydrophobicContact CD1-CG1 3.55Å; L96-S300 PolarHBondContact N-O 3.05Å; L96-V301 HydrophobicContact CB-CG1 4.41Å; L96-V301 HydrophobicContact CB-CG2 4.47Å; L96-V301 HydrophobicContact CD1-CG2 4.13Å; L96-L302 PolarHBondContact O-N 2.95Å
97S92.5Very high80.7Confident1 Ų127.1 Ų27.11%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-94.4139.5162.1154.80000109.5F109 I241 D242 L243 L302S97-F109 VanDerWaalsContact CB-CD2 3.45Å; S97-F109 VanDerWaalsContact N-CZ 3.34Å; S97-I241 PolarHBondContact N-O 3.43Å; S97-D242 VanDerWaalsContact CB-OD1 3.27Å; S97-D242 WeakPolarHBondContact CB-OD1 3.47Å; S97-D242 PolarHBondContact OG-OD1 3.22Å; S97-L243 VanDerWaalsContact O-CB 3.22Å; S97-L243 WeakPolarHBondContact O-CB 3.15Å; S97-L243 WeakPolarHBondContact O-CG 3.46Å; S97-L243 PolarHBondContact O-N 3.24Å; S97-L243 VanDerWaalsContact O-N 3.08Å; S97-L302 WeakPolarHBondContact CA-O 3.46Å
98F88Confident80.1Confident2 Ų227.1 Ų27.11%0.00919%0.186CC..EExtended strand (participates in β ladder)trans-153.2143.8-178.8176.1-106.8000111.5L243 Q259 I262 L302 C303 S304 V318 I321F98-L243 HydrophobicContact CB-CD1 4.39Å; F98-L243 HydrophobicContact CD2-CD1 4.23Å; F98-Q259 HydrophobicContact CE1-CG 4.08Å; F98-Q259 HydrophobicContact CE2-CB 4.42Å; F98-Q259 HydrophobicContact CE2-CG 3.65Å; F98-Q259 WeakPolarHBondContact CE2-O 3.36Å; F98-Q259 HydrophobicContact CZ-CB 4.4Å; F98-Q259 HydrophobicContact CZ-CG 3.33Å; F98-Q259 VanDerWaalsContact CZ-O 3.28Å; F98-Q259 WeakPolarHBondContact CZ-O 3.4Å; F98-I262 HydrophobicContact CD2-CG2 3.97Å; F98-I262 HydrophobicContact CE2-CB 4.03Å; F98-I262 HydrophobicContact CE2-CG2 3.75Å; F98-L302 PolarHBondContact N-O 3.02Å; F98-C303 CarbonylContact O-C 3.46Å; F98-C303 VanDerWaalsContact O-CA 3.31Å; F98-C303 WeakPolarHBondContact O-CA 3.12Å; F98-S304 PolarHBondContact O-N 2.68Å; F98-V318 HydrophobicContact CD1-CG1 4.39Å; F98-V318 HydrophobicContact CE1-CG1 4.46Å; F98-V318 HydrophobicContact CE1-CG2 4.5Å; F98-I321 HydrophobicContact CE1-CB 4.22Å; F98-I321 HydrophobicContact CE1-CD1 4.12Å; F98-I321 HydrophobicContact CE1-CG2 3.84Å; F98-I321 HydrophobicContact CZ-CD1 3.81Å; F98-I321 HydrophobicContact CZ-CG2 4.13Å
99G87.5Confident79.9Confident1 Ų126.8 Ų26.81%0.0118%0.184CC..EExtended strand (participates in β ladder)trans92.7-161.6-178.500000112.2T101 S245 S304G99-T101 PolarHBondContact O-N 2.86Å; G99-S245 WeakPolarHBondContact O-CA 3.47Å; G99-S304 CarbonylContact C-O 3.46Å
100H83.9Confident79.8Confident1 Ų124.2 Ų24.21%0.00517%0.171CC..  trans-60.1132.3-162.5-71-57.9000114.6L11 S304 R311 E314 S315L11-H100 HydrophobicContact CD1-CB 3.95Å; H100-S304 PolarHBondContact N-O 3.13Å; H100-S304 WeakPolarHBondContact O-CB 3.43Å; H100-R311 PolarHBondContact ND1-NH1 3.45Å; H100-R311 VanDerWaalsContact ND1-NH1 3.19Å; H100-E314 WeakPolarHBondContact CE1-CB 3.33Å; H100-E314 IonicContact CE1-OE2 3.84Å; H100-E314 PolarHBondContact CE1-OE2 3.09Å; H100-E314 WeakPolarHBondContact NE2-CB 3.4Å; H100-S315 PolarHBondContact NE2-N 2.81Å
101T74.4Confident79.7Confident38 Ų3823 Ų2323%0.23316%0.158CC..  trans-100.2103.1159.556.20000107.6G99G99-T101 PolarHBondContact O-N 2.86Å
102G58.4Low79.2Confident15 Ų1523.1 Ų23.116%0.15516%0.159CC..  trans-70.8143.2-173.600000112.7G104 A105G102-G104 PolarHBondContact O-N 2.81Å; G102-A105 PolarHBondContact O-N 2.78Å
103S46.3Very low78.6Confident106 Ų10630.1 Ų30.174%0.74120%0.197SC*.THydrogen-bonded Turntrans-64.9118.7172.4-1680000109.2A105S103-A105 PolarHBondContact O-N 3.36Å
104G42.3Very low77.9Confident81 Ų8137.5 Ų37.584%0.83523%0.229SC*.THydrogen-bonded Turntrans73.4-4.4-172.100000115.6G102G102-G104 PolarHBondContact O-N 2.81Å
105A48.4Very low77.2Confident16 Ų1640 Ų4013%0.13225%0.246CC..SBendtrans-94.7123.2176.200000110.6L11 G102 S103 N107L11-A105 HydrophobicContact CB-CB 4.47Å; L11-A105 HydrophobicContact CD2-CB 4.5Å; G102-A105 PolarHBondContact O-N 2.78Å; S103-A105 PolarHBondContact O-N 3.36Å; A105-N107 PolarHBondContact O-N 2.76Å
106Q56.3Low76.4Confident54 Ų5443.6 Ų43.625%0.25228%0.276SS..  trans-49.5124.7-175.6-53.9171.7-18.100112.3L72 S108 E112L72-Q106 VanDerWaalsContact CD1-OE1 3.25Å; Q106-S108 PolarHBondContact O-N 2.85Å; Q106-S108 VanDerWaalsContact O-N 3.09Å; Q106-E112 HydrophobicContact CG-CG 3.84Å; Q106-E112 VanDerWaalsContact NE2-CD 3.32Å; Q106-E112 PolarHBondContact NE2-OE2 3.06Å
107N74.3Confident75.7Confident45 Ų4550.3 Ų50.324%0.24131%0.307CS..  trans-62.7114.6170.4179.3-14.6000108.8A105 F109 V110 G111 D242A105-N107 PolarHBondContact O-N 2.76Å; N107-F109 PolarHBondContact O-N 3.23Å; N107-F109 PolarHBondContact OD1-N 3.36Å; N107-V110 PolarHBondContact O-N 3.46Å; N107-G111 PolarHBondContact O-N 2.88Å; N107-D242 PolarHBondContact ND2-OD2 3.09Å
108S83.5Confident75.4Confident1 Ų150.7 Ų50.71%0.00731%0.31CS..THydrogen-bonded Turntrans-54-20.2-176.4-48.80000114.4R9 Q106 G120 V121R9-S108 PolarHBondContact NH1-OG 3.32Å; Q106-S108 PolarHBondContact O-N 2.85Å; Q106-S108 VanDerWaalsContact O-N 3.09Å; S108-G120 VanDerWaalsContact O-CA 3.28Å; S108-G120 WeakPolarHBondContact O-CA 3.26Å; S108-V121 WeakPolarHBondContact O-CG2 3.44Å; S108-V121 PolarHBondContact O-N 3.21Å
109F89.3Confident75.5Confident0 Ų052.9 Ų52.90%032%0.322CS..THydrogen-bonded Turntrans-78.6-35.6176.7-97.2-133.4000114.4V95 S97 N107 G120 V121 I122 L240 I241 D242V95-F109 HydrophobicContact CB-CZ 4.06Å; V95-F109 HydrophobicContact CG1-CE2 4.05Å; V95-F109 HydrophobicContact CG1-CZ 3.76Å; S97-F109 VanDerWaalsContact CB-CD2 3.45Å; S97-F109 VanDerWaalsContact N-CZ 3.34Å; N107-F109 PolarHBondContact O-N 3.23Å; N107-F109 PolarHBondContact OD1-N 3.36Å; F109-G120 CarbonylContact O-C 3.59Å; F109-V121 HydrophobicContact CD2-CB 4.06Å; F109-V121 HydrophobicContact CD2-CG2 4.16Å; F109-V121 HydrophobicContact CE2-CB 4.29Å; F109-V121 HydrophobicContact CE2-CG1 4.34Å; F109-V121 HydrophobicContact CE2-CG2 4.31Å; F109-V121 HydrophobicContact CG-CB 4.46Å; F109-V121 PolarHBondContact O-N 2.7Å; F109-I122 HydrophobicContact CB-CD1 4.2Å; F109-I122 HydrophobicContact CB-CG1 4.31Å; F109-I122 HydrophobicContact CD1-CD1 4.03Å; F109-I122 HydrophobicContact CD1-CG1 4.01Å; F109-I122 HydrophobicContact CG-CG1 4.45Å; F109-I122 WeakPolarHBondContact O-CB 3.2Å; F109-I122 VanDerWaalsContact O-CG1 3.3Å; F109-I122 WeakPolarHBondContact O-CG1 3.32Å; F109-I122 PolarHBondContact O-N 3.47Å; F109-L240 HydrophobicContact CE1-CB 4.14Å; F109-I241 VanDerWaalsContact CE1-C 3.49Å; F109-I241 VanDerWaalsContact CE1-O 3.31Å; F109-I241 WeakPolarHBondContact CE1-O 3.47Å; F109-D242 HydrophobicContact CD1-CB 3.97Å; F109-D242 HydrophobicContact CG-CB 4.34Å
110V88.8Confident75.7Confident41 Ų4152.8 Ų52.825%0.24832%0.321CS..THydrogen-bonded Turntrans-99.1-45.3179.4-178.60000110.6N107 G120 L196N107-V110 PolarHBondContact O-N 3.46Å; V110-G120 WeakPolarHBondContact O-CA 3.38Å; V110-G120 PolarHBondContact O-N 3.06Å; V110-L196 HydrophobicContact CG1-CD1 3.74Å; V110-L196 HydrophobicContact CG2-CD1 4.05Å; V110-L196 HydrophobicContact CG2-CD2 3.97Å
111G87.9Confident76.2Confident13 Ų1352.8 Ų52.813%0.13432%0.321CS..BIsolated β-bridgetrans74.9-150.4-171.800000112.4N107 S118N107-G111 PolarHBondContact O-N 2.88Å; G111-S118 CarbonylContact C-O 3.47Å; G111-S118 WeakPolarHBondContact CA-O 3.31Å
112E83.2Confident77.2Confident63 Ų6351 Ų5129%0.29431%0.31SS..  trans-132.7143.5171.4-76-178.9149.600110.7Q106 K114 S118Q106-E112 HydrophobicContact CG-CG 3.84Å; Q106-E112 VanDerWaalsContact NE2-CD 3.32Å; Q106-E112 PolarHBondContact NE2-OE2 3.06Å; E112-K114 HydrophobicContact CB-CG 4.26Å; E112-K114 PolarHBondContact O-N 2.84Å; E112-K114 IonicContact OE1-NZ 2.81Å; E112-K114 PolarHBondContact OE1-NZ 2.83Å; E112-K114 VanDerWaalsContact OE2-CD 3.3Å; E112-K114 WeakPolarHBondContact OE2-CD 3.18Å; E112-K114 VanDerWaalsContact OE2-CE 3.23Å; E112-K114 WeakPolarHBondContact OE2-CE 3.34Å; E112-K114 IonicContact OE2-NZ 2.76Å; E112-K114 PolarHBondContact OE2-NZ 2.99Å; E112-S118 PolarHBondContact N-O 3.47Å; E112-S118 CarbonylContact O-C 3.45Å; E112-S118 PolarHBondContact O-OG 2.74Å
113D82.1Confident79Confident155 Ų15551.8 Ų51.883%0.82931%0.312SS*.THydrogen-bonded Turntrans-84.454.3171.5-165.232.6000111.5
114K81.6Confident81.3Confident155 Ų15547.4 Ų47.467%0.67428%0.282SS*.THydrogen-bonded Turntrans-105.5-27.3172.9-68.4-179.2-166.4152.40112.2E112E112-K114 HydrophobicContact CB-CG 4.26Å; E112-K114 PolarHBondContact O-N 2.84Å; E112-K114 IonicContact OE1-NZ 2.81Å; E112-K114 PolarHBondContact OE1-NZ 2.83Å; E112-K114 VanDerWaalsContact OE2-CD 3.3Å; E112-K114 WeakPolarHBondContact OE2-CD 3.18Å; E112-K114 VanDerWaalsContact OE2-CE 3.23Å; E112-K114 WeakPolarHBondContact OE2-CE 3.34Å; E112-K114 IonicContact OE2-NZ 2.76Å; E112-K114 PolarHBondContact OE2-NZ 2.99Å
115S80.9Confident83.9Confident51 Ų5143.5 Ų43.536%0.35724%0.242SC..  trans-164.8156.6178.869.80000111Q117 S118 L119S115-Q117 PolarHBondContact O-N 3.18Å; S115-Q117 PolarHBondContact OG-N 3Å; S115-S118 PolarHBondContact N-OG 2.82Å; S115-S118 PolarHBondContact O-N 3.43Å; S115-S118 PolarHBondContact O-OG 3.11Å; S115-S118 PolarHBondContact OG-N 2.9Å; S115-S118 PolarHBondContact OG-OG 3.17Å; S115-L119 PolarHBondContact O-N 2.94Å
116A79.9Confident86.2Confident77 Ų7742.9 Ų42.964%0.63624%0.236SC*.THydrogen-bonded Turntrans-57.6-18.8170.900000113.8T73T73-A116 PolarHBondContact OG1-O 3.08Å
117Q81.1Confident88.1Confident140 Ų14043 Ų4365%0.65424%0.243SC*.THydrogen-bonded Turntrans-82.8-14.4175.6-71.9179.2-34.500114.4T73 S115T73-Q117 WeakPolarHBondContact OG1-CA 3.33Å; S115-Q117 PolarHBondContact O-N 3.18Å; S115-Q117 PolarHBondContact OG-N 3Å
118S85.4Confident89.1Confident10 Ų1043.2 Ų43.27%0.0724%0.24CC..THydrogen-bonded Turntrans-108.4-117948.30000113.9L72 G111 E112 S115L72-S118 VanDerWaalsContact CD1-O 3.26Å; L72-S118 WeakPolarHBondContact CD1-O 3.35Å; G111-S118 CarbonylContact C-O 3.47Å; G111-S118 WeakPolarHBondContact CA-O 3.31Å; E112-S118 PolarHBondContact N-O 3.47Å; E112-S118 CarbonylContact O-C 3.45Å; E112-S118 PolarHBondContact O-OG 2.74Å; S115-S118 PolarHBondContact N-OG 2.82Å; S115-S118 PolarHBondContact O-N 3.43Å; S115-S118 PolarHBondContact O-OG 3.11Å; S115-S118 PolarHBondContact OG-N 2.9Å; S115-S118 PolarHBondContact OG-OG 3.17Å
119L90.4Very high89.7Confident47 Ų4743.1 Ų43.125%0.24624%0.24CC..BIsolated β-bridgetrans-66.2133.2172.8-65.4178.6000111.9S115 P123S115-L119 PolarHBondContact O-N 2.94Å; L119-P123 HydrophobicContact CB-CG 4.2Å; L119-P123 HydrophobicContact CD2-CG 4.36Å
120G91.8Very high90Very high0 Ų044.7 Ų44.70%025%0.246CC..  trans-83.9-178.3-178.900000115S108 F109 V110 I122 P123 C124S108-G120 VanDerWaalsContact O-CA 3.28Å; S108-G120 WeakPolarHBondContact O-CA 3.26Å; F109-G120 CarbonylContact O-C 3.59Å; V110-G120 WeakPolarHBondContact O-CA 3.38Å; V110-G120 PolarHBondContact O-N 3.06Å; G120-I122 VanDerWaalsContact C-N 3.28Å; G120-I122 PolarHBondContact O-N 2.7Å; G120-P123 VanDerWaalsContact O-CD 3.27Å; G120-P123 WeakPolarHBondContact O-CD 3.47Å; G120-P123 WeakPolarHBondContact O-CG 3.31Å; G120-C124 WeakPolarHBondContact O-CB 3.36Å; G120-C124 PolarHBondContact O-N 3.46Å; G120-C124 VanDerWaalsContact O-N 3.15Å; G120-C124 PolarHBondContact O-SG 2.89Å; G120-C124 VanDerWaalsContact O-SG 3.35Å
121V94.7Very high90.3Very high0 Ų048.8 Ų48.80%026%0.257CS..Hα-helixtrans-55.7-38.2-174.2175.60000112.8C76 L80 V95 S108 F109 A125 L240 L302C76-V121 VanDerWaalsContact SG-CA 3.55Å; C76-V121 PolarHBondContact SG-N 2.77Å; C76-V121 VanDerWaalsContact SG-N 3.38Å; L80-V121 HydrophobicContact CD2-CG1 3.93Å; L80-V121 HydrophobicContact CG-CG1 4.35Å; V95-V121 HydrophobicContact CB-CG1 4.44Å; V95-V121 HydrophobicContact CG1-CG1 4.07Å; S108-V121 WeakPolarHBondContact O-CG2 3.44Å; S108-V121 PolarHBondContact O-N 3.21Å; F109-V121 HydrophobicContact CD2-CB 4.06Å; F109-V121 HydrophobicContact CD2-CG2 4.16Å; F109-V121 HydrophobicContact CE2-CB 4.29Å; F109-V121 HydrophobicContact CE2-CG1 4.34Å; F109-V121 HydrophobicContact CE2-CG2 4.31Å; F109-V121 HydrophobicContact CG-CB 4.46Å; F109-V121 PolarHBondContact O-N 2.7Å; V121-A125 WeakPolarHBondContact O-CB 3.45Å; V121-A125 PolarHBondContact O-N 2.89Å; V121-L240 HydrophobicContact CG1-CD2 4.45Å; V121-L302 HydrophobicContact CG2-CD2 4.25Å
122I95.4Very high90.7Very high0 Ų050 Ų500%026%0.261CS..Hα-helixtrans-70.3-57.9-177.4-54.5171.4000112.4F109 G120 C124 A125 I126 L192 F212 Y214 L240F109-I122 HydrophobicContact CB-CD1 4.2Å; F109-I122 HydrophobicContact CB-CG1 4.31Å; F109-I122 HydrophobicContact CD1-CD1 4.03Å; F109-I122 HydrophobicContact CD1-CG1 4.01Å; F109-I122 HydrophobicContact CG-CG1 4.45Å; F109-I122 WeakPolarHBondContact O-CB 3.2Å; F109-I122 VanDerWaalsContact O-CG1 3.3Å; F109-I122 WeakPolarHBondContact O-CG1 3.32Å; F109-I122 PolarHBondContact O-N 3.47Å; G120-I122 VanDerWaalsContact C-N 3.28Å; G120-I122 PolarHBondContact O-N 2.7Å; I122-C124 VanDerWaalsContact C-N 3.27Å; I122-C124 PolarHBondContact O-N 2.93Å; I122-A125 WeakPolarHBondContact O-CB 3.5Å; I122-A125 PolarHBondContact O-N 2.82Å; I122-I126 HydrophobicContact CG2-CD1 4.13Å; I122-I126 WeakPolarHBondContact O-CG1 3.39Å; I122-I126 PolarHBondContact O-N 3.46Å; I122-L192 HydrophobicContact CB-CD2 4.16Å; I122-L192 HydrophobicContact CD1-CD1 4.27Å; I122-L192 HydrophobicContact CG2-CD1 3.95Å; I122-L192 HydrophobicContact CG2-CD2 3.63Å; I122-L192 HydrophobicContact CG2-CG 4.39Å; I122-F212 HydrophobicContact CD1-CD1 4.35Å; I122-F212 HydrophobicContact CD1-CE1 3.71Å; I122-Y214 HydrophobicContact CG2-CD1 3.87Å; I122-Y214 HydrophobicContact CG2-CE1 4.24Å; I122-Y214 HydrophobicContact CG2-CG 4.28Å; I122-L240 HydrophobicContact CB-CD1 4.2Å; I122-L240 HydrophobicContact CG1-CB 4.17Å; I122-L240 HydrophobicContact CG1-CD1 3.98Å; I122-L240 HydrophobicContact CG2-CD1 3.93Å
123P94.9Very high91.2Very high32 Ų3247.9 Ų47.921%0.20825%0.251CS..Hα-helixtrans-59.9-3717820.9-31.8000112.4L119 G120 I126 S127L119-P123 HydrophobicContact CB-CG 4.2Å; L119-P123 HydrophobicContact CD2-CG 4.36Å; G120-P123 VanDerWaalsContact O-CD 3.27Å; G120-P123 WeakPolarHBondContact O-CD 3.47Å; G120-P123 WeakPolarHBondContact O-CG 3.31Å; P123-I126 PolarHBondContact O-N 3.04Å; P123-S127 PolarHBondContact O-N 2.76Å; P123-S127 VanDerWaalsContact O-N 3.12Å
124C95Very high91.8Very high14 Ų1441.9 Ų41.910%0.09523%0.226CC..Hα-helixtrans-60.8-45.1171.3-69.30000112.4C76 L80 G120 I122 I126 S127 W128C76-C124 HydrophobicContact CB-CB 3.98Å; L80-C124 HydrophobicContact CD1-CB 3.69Å; G120-C124 WeakPolarHBondContact O-CB 3.36Å; G120-C124 PolarHBondContact O-N 3.46Å; G120-C124 VanDerWaalsContact O-N 3.15Å; G120-C124 PolarHBondContact O-SG 2.89Å; G120-C124 VanDerWaalsContact O-SG 3.35Å; I122-C124 VanDerWaalsContact C-N 3.27Å; I122-C124 PolarHBondContact O-N 2.93Å; C124-I126 PolarHBondContact O-N 3.41Å; C124-S127 PolarHBondContact O-N 3.18Å; C124-W128 VanDerWaalsContact O-CB 3.32Å; C124-W128 WeakPolarHBondContact O-CB 3.38Å; C124-W128 VanDerWaalsContact O-CG 3.3Å; C124-W128 PolarHBondContact O-N 3.31Å
125A97.1Very high92.3Very high0 Ų037.4 Ų37.40%021%0.207CC..Hα-helixtrans-62.4-42.417900000112.7L80 V121 I122 W128 I129 L238 L240L80-A125 HydrophobicContact CD1-CB 4.08Å; L80-A125 HydrophobicContact CD2-CB 3.72Å; V121-A125 WeakPolarHBondContact O-CB 3.45Å; V121-A125 PolarHBondContact O-N 2.89Å; I122-A125 WeakPolarHBondContact O-CB 3.5Å; I122-A125 PolarHBondContact O-N 2.82Å; A125-W128 PolarHBondContact O-N 3.13Å; A125-I129 WeakPolarHBondContact O-CB 3.48Å; A125-I129 VanDerWaalsContact O-CG1 3.28Å; A125-I129 WeakPolarHBondContact O-CG1 3.46Å; A125-I129 PolarHBondContact O-N 3.45Å; A125-L238 HydrophobicContact CB-CD2 4.17Å; A125-L240 HydrophobicContact CB-CD1 3.84Å
126I96.9Very high92.8Very high2 Ų238.3 Ų38.31%0.0120%0.203CC..Hα-helixtrans-59.1-55.8176.4-63.5171.1000109.4I122 P123 C124 W128 I129 Y130 V185 A188 L192 Y214 L216I122-I126 HydrophobicContact CG2-CD1 4.13Å; I122-I126 WeakPolarHBondContact O-CG1 3.39Å; I122-I126 PolarHBondContact O-N 3.46Å; P123-I126 PolarHBondContact O-N 3.04Å; C124-I126 PolarHBondContact O-N 3.41Å; I126-W128 VanDerWaalsContact C-N 3.34Å; I126-W128 PolarHBondContact O-N 3.02Å; I126-I129 PolarHBondContact O-N 3.02Å; I126-Y130 HydrophobicContact CG2-CD2 4.02Å; I126-Y130 HydrophobicContact CG2-CE2 4.18Å; I126-Y130 WeakPolarHBondContact O-CD2 3.46Å; I126-Y130 PolarHBondContact O-N 3.49Å; I126-Y130 VanDerWaalsContact O-N 3.1Å; I126-V185 HydrophobicContact CG2-CG1 4.19Å; I126-A188 HydrophobicContact CD1-CB 4.46Å; I126-A188 HydrophobicContact CG2-CB 3.63Å; I126-L192 HydrophobicContact CD1-CD2 4.38Å; I126-Y214 HydrophobicContact CD1-CE1 3.98Å; I126-Y214 HydrophobicContact CG1-CE1 4.34Å; I126-L216 HydrophobicContact CG1-CD1 4.25Å; I126-L216 HydrophobicContact CG1-CD2 4.38Å
127S95Very high93.3Very high58 Ų5841.2 Ų41.241%0.40620%0.201SC..Hα-helixtrans-55.8-46.2179.5175.20000112.5P123 C124 Y130 R131P123-S127 PolarHBondContact O-N 2.76Å; P123-S127 VanDerWaalsContact O-N 3.12Å; C124-S127 PolarHBondContact O-N 3.18Å; S127-Y130 PolarHBondContact O-N 2.83Å; S127-R131 WeakPolarHBondContact O-CB 3.29Å; S127-R131 PolarHBondContact O-N 3Å
128W95.4Very high93.7Very high48 Ų4843.6 Ų43.618%0.18221%0.209CC..Hα-helixtrans-67.1-43.7-178.3-76.731.9000112.7L80 T84 C124 A125 I126 R131 L132L80-W128 HydrophobicContact CB-CE3 3.93Å; L80-W128 HydrophobicContact CB-CZ3 4.1Å; T84-W128 HydrophobicContact CG2-CB 4.44Å; C124-W128 VanDerWaalsContact O-CB 3.32Å; C124-W128 WeakPolarHBondContact O-CB 3.38Å; C124-W128 VanDerWaalsContact O-CG 3.3Å; C124-W128 PolarHBondContact O-N 3.31Å; A125-W128 PolarHBondContact O-N 3.13Å; I126-W128 VanDerWaalsContact C-N 3.34Å; I126-W128 PolarHBondContact O-N 3.02Å; W128-R131 PolarHBondContact O-N 2.88Å; W128-L132 WeakPolarHBondContact O-CB 3.21Å; W128-L132 WeakPolarHBondContact O-CD1 3.4Å; W128-L132 VanDerWaalsContact O-CG 3.24Å; W128-L132 WeakPolarHBondContact O-CG 3.42Å; W128-L132 PolarHBondContact O-N 3.39Å
129I96.8Very high93.8Very high0 Ų052.1 Ų52.10%024%0.24CC..Hα-helixtrans-60-47.9176.8-76.1-67.5000110.8T84 V87 A125 I126 L132 I133 L216 I218 L238T84-I129 HydrophobicContact CG2-CD1 3.8Å; T84-I129 HydrophobicContact CG2-CG1 4.04Å; V87-I129 HydrophobicContact CB-CD1 4.43Å; V87-I129 HydrophobicContact CG1-CD1 4.08Å; A125-I129 WeakPolarHBondContact O-CB 3.48Å; A125-I129 VanDerWaalsContact O-CG1 3.28Å; A125-I129 WeakPolarHBondContact O-CG1 3.46Å; A125-I129 PolarHBondContact O-N 3.45Å; I126-I129 PolarHBondContact O-N 3.02Å; I129-L132 PolarHBondContact O-N 3.28Å; I129-I133 HydrophobicContact CG2-CD1 3.68Å; I129-I133 HydrophobicContact CG2-CG1 4.41Å; I129-I133 WeakPolarHBondContact O-CB 3.44Å; I129-I133 VanDerWaalsContact O-CG1 3.28Å; I129-I133 WeakPolarHBondContact O-CG1 3.46Å; I129-I133 PolarHBondContact O-N 3.23Å; I129-L216 HydrophobicContact CB-CD1 4.33Å; I129-L216 HydrophobicContact CG1-CD1 4.2Å; I129-L216 HydrophobicContact CG2-CD1 4.37Å; I129-I218 HydrophobicContact CD1-CD1 4.13Å; I129-I218 HydrophobicContact CG2-CD1 3.73Å; I129-I218 HydrophobicContact CG2-CG1 4.31Å; I129-L238 HydrophobicContact CD1-CD2 4.29Å; I129-L238 HydrophobicContact CG1-CD2 4.04Å
130Y96.4Very high93.6Very high33 Ų3353 Ų5313%0.12925%0.248CC..Hα-helixtrans-64.6-42.4179.7-89.7-84.3000112.7I126 S127 L132 I133 G134 V182 S184 V185 A188I126-Y130 HydrophobicContact CG2-CD2 4.02Å; I126-Y130 HydrophobicContact CG2-CE2 4.18Å; I126-Y130 WeakPolarHBondContact O-CD2 3.46Å; I126-Y130 PolarHBondContact O-N 3.49Å; I126-Y130 VanDerWaalsContact O-N 3.1Å; S127-Y130 PolarHBondContact O-N 2.83Å; Y130-L132 PolarHBondContact O-N 3.27Å; Y130-I133 PolarHBondContact O-N 3.19Å; Y130-G134 PolarHBondContact O-N 3.37Å; Y130-V182 WeakPolarHBondContact OH-CB 3.28Å; Y130-V182 WeakPolarHBondContact OH-CG2 3.33Å; Y130-V182 PolarHBondContact OH-O 3.05Å; Y130-S184 PolarHBondContact OH-O 3.21Å; Y130-V185 HydrophobicContact CD1-CG2 4.2Å; Y130-V185 HydrophobicContact CD2-CG2 3.78Å; Y130-V185 HydrophobicContact CG-CG2 3.52Å; Y130-A188 HydrophobicContact CE2-CB 4.01Å
131R95.4Very high93.2Very high126 Ų12655.9 Ų55.948%0.47528%0.277SS..Hα-helixtrans-57-50.3174.5-179.9174.665.1145.3-2.8111.5S127 W128 G134 E135S127-R131 WeakPolarHBondContact O-CB 3.29Å; S127-R131 PolarHBondContact O-N 3Å; W128-R131 PolarHBondContact O-N 2.88Å; R131-G134 WeakPolarHBondContact O-CA 3.2Å; R131-G134 PolarHBondContact O-N 3.03Å; R131-G134 VanDerWaalsContact O-N 3.15Å; R131-E135 PolarHBondContact O-N 3.46Å
132L94.9Very high92.8Very high40 Ų4056 Ų5621%0.20928%0.278CS..Hα-helixtrans-71-31.8-177.6-66.1168000112.7L88 W128 I129 Y130 E135 R136L88-L132 HydrophobicContact CD1-CB 3.41Å; L88-L132 VanDerWaalsContact CD1-CB 3.41Å; L88-L132 HydrophobicContact CD1-CD1 3.68Å; L88-L132 HydrophobicContact CD1-CG 4.12Å; L88-L132 HydrophobicContact CD2-CB 4.38Å; W128-L132 WeakPolarHBondContact O-CB 3.21Å; W128-L132 WeakPolarHBondContact O-CD1 3.4Å; W128-L132 VanDerWaalsContact O-CG 3.24Å; W128-L132 WeakPolarHBondContact O-CG 3.42Å; W128-L132 PolarHBondContact O-N 3.39Å; I129-L132 PolarHBondContact O-N 3.28Å; Y130-L132 PolarHBondContact O-N 3.27Å; L132-E135 PolarHBondContact O-N 2.91Å; L132-R136 VanDerWaalsContact O-CB 3.31Å; L132-R136 WeakPolarHBondContact O-CB 3.35Å; L132-R136 PolarHBondContact O-N 2.91Å
133I94.9Very high92.6Very high17 Ų1765.6 Ų65.69%0.08731%0.314CS..Hα-helixtrans-61.1-44.6167.6-78172.9000110.4L88 I129 Y130 E135 R136 K137 F144 V146 I218L88-I133 HydrophobicContact CD2-CG1 3.78Å; I129-I133 HydrophobicContact CG2-CD1 3.68Å; I129-I133 HydrophobicContact CG2-CG1 4.41Å; I129-I133 WeakPolarHBondContact O-CB 3.44Å; I129-I133 VanDerWaalsContact O-CG1 3.28Å; I129-I133 WeakPolarHBondContact O-CG1 3.46Å; I129-I133 PolarHBondContact O-N 3.23Å; Y130-I133 PolarHBondContact O-N 3.19Å; I133-E135 PolarHBondContact O-N 2.73Å; I133-R136 PolarHBondContact O-N 3.28Å; I133-K137 VanDerWaalsContact O-CB 3.32Å; I133-K137 WeakPolarHBondContact O-CB 3.44Å; I133-K137 PolarHBondContact O-N 3.18Å; I133-F144 HydrophobicContact CD1-CD1 4.39Å; I133-F144 HydrophobicContact CG1-CD1 4.09Å; I133-F144 HydrophobicContact CG1-CE1 4.42Å; I133-F144 HydrophobicContact CG1-CG 4.26Å; I133-F144 HydrophobicContact CG2-CB 3.72Å; I133-F144 HydrophobicContact CG2-CD1 4.42Å; I133-F144 HydrophobicContact CG2-CD2 3.83Å; I133-F144 HydrophobicContact CG2-CG 3.74Å; I133-V146 HydrophobicContact CD1-CG2 3.74Å; I133-I218 HydrophobicContact CD1-CG1 4.48Å; I133-I218 HydrophobicContact CD1-CG2 4.14Å
134G93.8Very high92.6Very high30 Ų3065.5 Ų65.531%0.30931%0.311SS..Hα-helixtrans-59.6-44.9176.500000112.7Y130 R131 K138Y130-G134 PolarHBondContact O-N 3.37Å; R131-G134 WeakPolarHBondContact O-CA 3.2Å; R131-G134 PolarHBondContact O-N 3.03Å; R131-G134 VanDerWaalsContact O-N 3.15Å; G134-K138 WeakPolarHBondContact O-CG 3.45Å; G134-K138 PolarHBondContact O-N 3.42Å
135E93Very high92.6Very high60 Ų6066.3 Ų66.328%0.2832%0.315SS..Hα-helixtrans-62.8-46.1172.7-72.7-176.6-131.900112.8R131 L132 I133 K138 R139R131-E135 PolarHBondContact O-N 3.46Å; L132-E135 PolarHBondContact O-N 2.91Å; I133-E135 PolarHBondContact O-N 2.73Å; E135-K138 PolarHBondContact O-N 3.48Å; E135-R139 WeakPolarHBondContact O-CG 3.33Å; E135-R139 PolarHBondContact O-N 3.17Å; E135-R139 IonicContact OE2-CZ 3.36Å; E135-R139 VanDerWaalsContact OE2-CZ 3.27Å; E135-R139 IonicContact OE2-NH1 3.57Å; E135-R139 PolarHBondContact OE2-NH1 2.93Å; E135-R139 IonicContact OE2-NH2 3.97Å; E135-R139 PolarHBondContact OE2-NH2 2.83Å
136R90.3Very high92.6Very high70 Ų7066.6 Ų66.626%0.26432%0.317SS..Hα-helixtrans-70.2-33.4-177.1-164.1163.9-175.2142.2-3.7112.2L88 N89 L132 I133 R139 T140 F144L88-R136 PolarHBondContact O-NE 2.82Å; L88-R136 PolarHBondContact O-NH1 3.49Å; L88-R136 PolarHBondContact O-NH2 3.44Å; N89-R136 PolarHBondContact OD1-NH1 3.14Å; N89-R136 PolarHBondContact OD1-NH2 3.48Å; L132-R136 VanDerWaalsContact O-CB 3.31Å; L132-R136 WeakPolarHBondContact O-CB 3.35Å; L132-R136 PolarHBondContact O-N 2.91Å; I133-R136 PolarHBondContact O-N 3.28Å; R136-R139 PolarHBondContact O-N 2.94Å; R136-T140 HydrophobicContact CG-CG2 4.26Å; R136-T140 WeakPolarHBondContact O-CB 3.48Å; R136-T140 PolarHBondContact O-N 3.48Å; R136-T140 PolarHBondContact O-OG1 3.09Å; R136-F144 HydrophobicContact CB-CE2 4.14Å; R136-F144 HydrophobicContact CB-CZ 4.11Å; R136-F144 HydrophobicContact CG-CE2 4.26Å; R136-F144 HydrophobicContact CG-CZ 3.93Å
137K91.1Very high92.6Very high139 Ų13970.5 Ų70.560%0.60433%0.332SS*.Hα-helixtrans-58.3-50.3168.6-176.8-177.4177.3-172.40110.3I133 R139 G141 F144I133-K137 VanDerWaalsContact O-CB 3.32Å; I133-K137 WeakPolarHBondContact O-CB 3.44Å; I133-K137 PolarHBondContact O-N 3.18Å; K137-R139 PolarHBondContact O-N 3.27Å; K137-G141 WeakPolarHBondContact O-CA 3.36Å; K137-G141 PolarHBondContact O-N 3.05Å; K137-F144 HydrophobicContact CB-CD2 4.48Å
138K89.8Confident92.7Very high189 Ų18967.8 Ų67.882%0.82231%0.312SS*.Hα-helixtrans-61.4-42177.3-71.3174-179.7-1780113G134 E135G134-K138 WeakPolarHBondContact O-CG 3.45Å; G134-K138 PolarHBondContact O-N 3.42Å; E135-K138 PolarHBondContact O-N 3.48Å
139R87.6Confident92.7Very high189 Ų18965.5 Ų65.571%0.71330%0.304SS*.Hα-helixtrans-77.4-25.6-177.7-70.5-175.7-175.2112.67.1115.1E135 R136 K137E135-R139 WeakPolarHBondContact O-CG 3.33Å; E135-R139 PolarHBondContact O-N 3.17Å; E135-R139 IonicContact OE2-CZ 3.36Å; E135-R139 VanDerWaalsContact OE2-CZ 3.27Å; E135-R139 IonicContact OE2-NH1 3.57Å; E135-R139 PolarHBondContact OE2-NH1 2.93Å; E135-R139 IonicContact OE2-NH2 3.97Å; E135-R139 PolarHBondContact OE2-NH2 2.83Å; R136-R139 PolarHBondContact O-N 2.94Å; K137-R139 PolarHBondContact O-N 3.27Å
140T85.7Confident92.7Very high67 Ų6765.6 Ų65.641%0.41130%0.304SS..Hα-helixtrans-129.8-9.3-167.868.30000115.8R136 S142R136-T140 HydrophobicContact CG-CG2 4.26Å; R136-T140 WeakPolarHBondContact O-CB 3.48Å; R136-T140 PolarHBondContact O-N 3.48Å; R136-T140 PolarHBondContact O-OG1 3.09Å; T140-S142 PolarHBondContact O-N 2.75Å; T140-S142 VanDerWaalsContact O-N 3.13Å; T140-S142 VanDerWaalsContact OG1-CB 3.26Å; T140-S142 WeakPolarHBondContact OG1-CB 2.62Å; T140-S142 PolarHBondContact OG1-N 3.12Å; T140-S142 PolarHBondContact OG1-OG 3.39Å
141G84Confident92.5Very high60 Ų6064.5 Ų64.562%0.61930%0.301SS*.  trans67.33.1-169.800000114.7K137 R143K137-G141 WeakPolarHBondContact O-CA 3.36Å; K137-G141 PolarHBondContact O-N 3.05Å; G141-R143 PolarHBondContact O-N 2.74Å
142S86.6Confident92.3Very high2 Ų258.5 Ų58.51%0.01428%0.278CS..  trans-57.9130.9177.4-65.60000111.1T140 F144 Q220 Y221T140-S142 PolarHBondContact O-N 2.75Å; T140-S142 VanDerWaalsContact O-N 3.13Å; T140-S142 VanDerWaalsContact OG1-CB 3.26Å; T140-S142 WeakPolarHBondContact OG1-CB 2.62Å; T140-S142 PolarHBondContact OG1-N 3.12Å; T140-S142 PolarHBondContact OG1-OG 3.39Å; S142-F144 WeakPolarHBondContact O-CD2 3.43Å; S142-Q220 PolarHBondContact OG-NE2 2.91Å; S142-Q220 VanDerWaalsContact OG-NE2 3.08Å; S142-Y221 CarbonylContact C-O 3.53Å; S142-Y221 WeakPolarHBondContact CA-O 3.1Å
143R91Very high92Very high201 Ų20156.8 Ų56.876%0.75827%0.269SS*.EExtended strand (participates in β ladder)trans-84.4132.7170-63-177.872.3149.72.8108.9G141 Y221G141-R143 PolarHBondContact O-N 2.74Å; R143-Y221 PolarHBondContact N-O 2.91Å; R143-Y221 PolarHBondContact O-N 2.99Å
144F93.6Very high91.5Very high31 Ų3156.3 Ų56.314%0.13627%0.267CS..EExtended strand (participates in β ladder)trans-116.2157.8177.6-69.7-87.7000111.4I133 R136 K137 S142 I218 Y219 Q220I133-F144 HydrophobicContact CD1-CD1 4.39Å; I133-F144 HydrophobicContact CG1-CD1 4.09Å; I133-F144 HydrophobicContact CG1-CE1 4.42Å; I133-F144 HydrophobicContact CG1-CG 4.26Å; I133-F144 HydrophobicContact CG2-CB 3.72Å; I133-F144 HydrophobicContact CG2-CD1 4.42Å; I133-F144 HydrophobicContact CG2-CD2 3.83Å; I133-F144 HydrophobicContact CG2-CG 3.74Å; R136-F144 HydrophobicContact CB-CE2 4.14Å; R136-F144 HydrophobicContact CB-CZ 4.11Å; R136-F144 HydrophobicContact CG-CE2 4.26Å; R136-F144 HydrophobicContact CG-CZ 3.93Å; K137-F144 HydrophobicContact CB-CD2 4.48Å; S142-F144 WeakPolarHBondContact O-CD2 3.43Å; F144-I218 HydrophobicContact CD1-CG2 4.16Å; F144-Y219 CarbonylContact C-O 3.5Å; F144-Y219 VanDerWaalsContact CA-O 3.31Å; F144-Y219 WeakPolarHBondContact CA-O 3.49Å; F144-Q220 HydrophobicContact CD1-CB 3.93Å; F144-Q220 HydrophobicContact CD1-CG 4.05Å; F144-Q220 HydrophobicContact CE1-CB 3.65Å; F144-Q220 HydrophobicContact CE1-CG 3.46Å; F144-Q220 VanDerWaalsContact CE1-CG 3.46Å; F144-Q220 HydrophobicContact CZ-CB 4.43Å; F144-Q220 HydrophobicContact CZ-CG 3.73Å
145T94.9Very high90.5Very high31 Ų3155.5 Ų55.519%0.1926%0.259CS..EExtended strand (participates in β ladder)trans-148.4134.1170-86.30000108R181 Y219T145-R181 PolarHBondContact OG1-NH1 2.89Å; T145-R181 PolarHBondContact OG1-NH2 2.89Å; T145-Y219 HydrophobicContact CG2-CD2 4.23Å; T145-Y219 PolarHBondContact N-O 3.35Å; T145-Y219 PolarHBondContact O-N 2.77Å
146V97.2Very high89.4Confident6 Ų655 Ų554%0.03626%0.262CS..EExtended strand (participates in β ladder)trans-115.4138178.8-173.30000109.1I133 V182 H217 I218I133-V146 HydrophobicContact CD1-CG2 3.74Å; V146-V182 HydrophobicContact CB-CG2 3.8Å; V146-V182 HydrophobicContact CG1-CG2 3.61Å; V146-V182 WeakPolarHBondContact O-CG2 3.3Å; V146-V182 PolarHBondContact O-N 2.83Å; V146-H217 CarbonylContact C-O 3.57Å; V146-H217 WeakPolarHBondContact CA-O 3.39Å; V146-I218 HydrophobicContact CG1-CG1 4.34Å; V146-I218 HydrophobicContact CG2-CG1 4.17Å
147R97.1Very high88.5Confident84 Ų8454.8 Ų54.832%0.31727%0.266SS..EExtended strand (participates in β ladder)trans-125153.8166.8-52.7174.579.6-17711.4108.8E179 V180 H217 Y219R147-E179 HydrophobicContact CB-CB 4.24Å; R147-E179 WeakPolarHBondContact CD-OE2 3.28Å; R147-E179 IonicContact CZ-OE2 3.31Å; R147-E179 PolarHBondContact NE-O 2.77Å; R147-E179 IonicContact NE-OE2 3.06Å; R147-E179 IonicContact NH1-OE2 2.7Å; R147-E179 PolarHBondContact NH1-OE2 3.01Å; R147-E179 PolarHBondContact NH2-O 2.82Å; R147-V180 CarbonylContact C-O 3.5Å; R147-V180 WeakPolarHBondContact CA-O 3.37Å; R147-V180 WeakPolarHBondContact CB-O 3.28Å; R147-H217 HydrophobicContact CB-CB 4.3Å; R147-H217 PolarHBondContact N-O 2.92Å; R147-H217 PolarHBondContact O-N 3.26Å; R147-Y219 HydrophobicContact CG-CE2 4.07Å
148V97.3Very high88Confident0 Ų048.5 Ų48.50%024%0.239CC..EExtended strand (participates in β ladder)trans-117.3147.2175.2-57.20000110L164 E179 V180 V182 A188 Y191 Y214 T215 L216V148-L164 HydrophobicContact CG2-CD1 3.87Å; V148-E179 CarbonylContact O-C 3.57Å; V148-E179 VanDerWaalsContact O-CA 3.3Å; V148-E179 WeakPolarHBondContact O-CA 3.23Å; V148-V180 HydrophobicContact CG2-CB 4.2Å; V148-V180 PolarHBondContact N-O 2.85Å; V148-V180 PolarHBondContact O-N 2.95Å; V148-V182 HydrophobicContact CG1-CB 4.44Å; V148-V182 HydrophobicContact CG1-CG1 3.85Å; V148-V182 HydrophobicContact CG1-CG2 3.69Å; V148-V182 HydrophobicContact CG2-CG1 3.92Å; V148-A188 HydrophobicContact CG1-CB 4.36Å; V148-Y191 HydrophobicContact CG2-CD2 3.83Å; V148-Y191 HydrophobicContact CG2-CG 4.06Å; V148-Y214 WeakPolarHBondContact CG1-OH 3.32Å; V148-T215 WeakPolarHBondContact CA-O 3.45Å; V148-L216 HydrophobicContact CG1-CD2 3.72Å
149S95.8Very high87.6Confident1 Ų146.3 Ų46.31%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-139136.4163.763.90000108.9T215 H217S149-T215 PolarHBondContact N-O 3.16Å; S149-T215 VanDerWaalsContact N-O 3.08Å; S149-T215 PolarHBondContact O-N 3.07Å; S149-H217 WeakPolarHBondContact CB-NE2 3.39Å; S149-H217 PolarHBondContact N-NE2 3.34Å; S149-H217 PolarHBondContact OG-NE2 3.33Å
150A95.6Very high87.7Confident1 Ų137.7 Ų37.71%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-126.6135.8177.600000110.3L163 L164 A195 F212 V213 Y214A150-L163 HydrophobicContact CB-CB 4.1Å; A150-L163 HydrophobicContact CB-CD1 4.44Å; A150-L163 PolarHBondContact O-N 3.02Å; A150-L164 HydrophobicContact CB-CD1 4.35Å; A150-L164 HydrophobicContact CB-CD2 4.15Å; A150-L164 HydrophobicContact CB-CG 3.99Å; A150-A195 HydrophobicContact CB-CB 3.44Å; A150-A195 VanDerWaalsContact CB-CB 3.44Å; A150-F212 HydrophobicContact CB-CE2 4.41Å; A150-V213 WeakPolarHBondContact CA-O 3.4Å; A150-Y214 HydrophobicContact CB-CD2 3.78Å; A150-Y214 HydrophobicContact CB-CE2 4.29Å
151M92.8Very high87.8Confident11 Ų1138 Ų385%0.05419%0.187CC..EExtended strand (participates in β ladder)trans-143.6156.8-179.661.6179129.900111.7L160 R161 L174 L177 V213 L286M151-L160 HydrophobicContact CB-CD1 4.41Å; M151-L160 HydrophobicContact CG-CD1 4.39Å; M151-L160 HydrophobicContact SD-CD1 3.87Å; M151-L160 HydrophobicContact SD-CD2 4.24Å; M151-R161 CarbonylContact C-O 3.58Å; M151-R161 WeakPolarHBondContact CA-O 3.16Å; M151-R161 WeakPolarHBondContact CB-O 3.47Å; M151-L174 HydrophobicContact CE-CD2 4.47Å; M151-L174 HydrophobicContact SD-CD2 3.93Å; M151-L177 HydrophobicContact CB-CD2 4.15Å; M151-L177 HydrophobicContact CE-CD1 3.45Å; M151-L177 VanDerWaalsContact CE-CD1 3.45Å; M151-L177 HydrophobicContact SD-CD1 3.52Å; M151-L177 VanDerWaalsContact SD-CD1 3.52Å; M151-L177 HydrophobicContact SD-CD2 4.36Å; M151-V213 HydrophobicContact CE-CB 4.05Å; M151-V213 HydrophobicContact CE-CG1 3.8Å; M151-V213 HydrophobicContact CG-CB 3.74Å; M151-V213 HydrophobicContact CG-CG1 4.49Å; M151-V213 HydrophobicContact CG-CG2 4.43Å; M151-V213 PolarHBondContact N-O 3.11Å; M151-V213 PolarHBondContact O-N 2.67Å; M151-V213 HydrophobicContact SD-CB 4.41Å; M151-L286 HydrophobicContact SD-CD1 3.95Å
152E91.4Very high88.2Confident0 Ų035.7 Ų35.70%016%0.16CC..EExtended strand (participates in β ladder)trans-122.2144.9173.6-162.2-165.6149.800110.2S154 L160 R161 L163 R199 F201 H211E152-S154 WeakPolarHBondContact OE1-CB 3.37Å; E152-S154 PolarHBondContact OE1-OG 2.97Å; E152-L160 WeakPolarHBondContact O-CA 3.2Å; E152-R161 HydrophobicContact CB-CB 4.49Å; E152-R161 PolarHBondContact N-O 3.45Å; E152-R161 PolarHBondContact O-N 3.4Å; E152-R161 IonicContact OE1-NH2 2.73Å; E152-R161 PolarHBondContact OE1-NH2 2.9Å; E152-R161 IonicContact OE2-CZ 2.93Å; E152-R161 IonicContact OE2-NE 2.72Å; E152-R161 PolarHBondContact OE2-NE 3.5Å; E152-R161 IonicContact OE2-NH2 2.67Å; E152-R161 PolarHBondContact OE2-NH2 3.25Å; E152-L163 HydrophobicContact CB-CD1 4.05Å; E152-L163 HydrophobicContact CB-CD2 4.06Å; E152-L163 HydrophobicContact CB-CG 4.2Å; E152-R199 HydrophobicContact CG-CG 4.47Å; E152-F201 WeakPolarHBondContact OE1-CE1 3.4Å; E152-H211 CarbonylContact C-O 3.5Å; E152-H211 WeakPolarHBondContact CA-O 3.4Å
153L89.3Confident88.5Confident3 Ų336 Ų362%0.01616%0.162CC..EExtended strand (participates in β ladder)trans-121.2115.3166.8-165.581000108.9E158 R159 L160 H211 K282 L283L153-E158 HydrophobicContact CD1-CB 4.06Å; L153-E158 WeakPolarHBondContact CD1-O 3.36Å; L153-E158 HydrophobicContact CD2-CB 4.09Å; L153-E158 HydrophobicContact CD2-CG 4.15Å; L153-E158 HydrophobicContact CG-CB 3.99Å; L153-E158 HydrophobicContact CG-CG 4.43Å; L153-R159 WeakPolarHBondContact CA-O 3.43Å; L153-L160 HydrophobicContact CB-CD1 4.25Å; L153-L160 HydrophobicContact CD1-CB 3.96Å; L153-L160 HydrophobicContact CD1-CD1 3.66Å; L153-L160 HydrophobicContact CD1-CG 4.45Å; L153-H211 HydrophobicContact CB-CB 4.33Å; L153-H211 PolarHBondContact N-O 3.28Å; L153-H211 PolarHBondContact O-N 3.11Å; L153-K282 HydrophobicContact CD1-CB 3.99Å; L153-K282 HydrophobicContact CD2-CB 4.35Å; L153-L283 HydrophobicContact CD2-CB 3.6Å; L153-L283 HydrophobicContact CD2-CD1 4.17Å; L153-L283 HydrophobicContact CD2-CG 4.49Å; L153-L283 VanDerWaalsContact CD2-N 3.33Å
154S84.4Confident88.6Confident8 Ų827.3 Ų27.36%0.05613%0.13CC..EExtended strand (participates in β ladder)trans-153.2-172.6-174.858.60000114.1E152 E158 R159E152-S154 WeakPolarHBondContact OE1-CB 3.37Å; E152-S154 PolarHBondContact OE1-OG 2.97Å; S154-E158 CarbonylContact O-C 3.55Å; S154-E158 WeakPolarHBondContact O-CA 3.29Å; S154-R159 PolarHBondContact N-O 3.23Å; S154-R159 PolarHBondContact O-N 3.13Å
155G72.9Confident88.2Confident13 Ų1327.1 Ų27.113%0.13414%0.135CC..THydrogen-bonded Turntrans80.8-159.9-177.400000115.5E206 R254G155-E206 WeakPolarHBondContact CA-OE1 3.33Å; G155-R254 PolarHBondContact O-NE 2.95Å; G155-R254 PolarHBondContact O-NH2 3.18Å
156S69Low87Confident49 Ų4933 Ų3334%0.34317%0.165SC..THydrogen-bonded Turntrans-84.4-29.3174.144.70000113.7T255S156-T255 PolarHBondContact O-N 2.89Å; S156-T255 VanDerWaalsContact O-N 3.11Å; S156-T255 PolarHBondContact O-OG1 3.47Å
157D70.9Confident85.5Confident65 Ų6539 Ų3935%0.34820%0.197SC..THydrogen-bonded Turntrans-107.512.8-166.2-30.9-36.4000112.1R159 K282D157-R159 HydrophobicContact CB-CG 4.13Å; D157-R159 PolarHBondContact O-N 3.05Å; D157-R159 IonicContact OD2-CZ 3.08Å; D157-R159 IonicContact OD2-NE 3.68Å; D157-R159 PolarHBondContact OD2-NE 3.28Å; D157-R159 IonicContact OD2-NH2 3.56Å; D157-R159 PolarHBondContact OD2-NH2 2.77Å; D157-K282 PolarHBondContact O-NZ 3.43Å
158E80.3Confident83.7Confident8 Ų840 Ų404%0.03722%0.217CC..THydrogen-bonded Turntrans45.157.6-168.7-73.7175.1126.400111.2L153 S154 L160 S281 K282 L283L153-E158 HydrophobicContact CD1-CB 4.06Å; L153-E158 WeakPolarHBondContact CD1-O 3.36Å; L153-E158 HydrophobicContact CD2-CB 4.09Å; L153-E158 HydrophobicContact CD2-CG 4.15Å; L153-E158 HydrophobicContact CG-CB 3.99Å; L153-E158 HydrophobicContact CG-CG 4.43Å; S154-E158 CarbonylContact O-C 3.55Å; S154-E158 WeakPolarHBondContact O-CA 3.29Å; E158-L160 PolarHBondContact O-N 3.15Å; E158-S281 WeakPolarHBondContact OE1-CB 3.42Å; E158-S281 PolarHBondContact OE1-OG 2.92Å; E158-S281 WeakPolarHBondContact OE2-CA 3.44Å; E158-S281 WeakPolarHBondContact OE2-CB 3.48Å; E158-S281 PolarHBondContact OE2-OG 2.73Å; E158-K282 HydrophobicContact CB-CB 4.02Å; E158-K282 HydrophobicContact CB-CD 3.92Å; E158-K282 HydrophobicContact CB-CG 4.43Å; E158-K282 WeakPolarHBondContact O-CD 3.49Å; E158-K282 PolarHBondContact O-NZ 3.27Å; E158-K282 PolarHBondContact OE2-N 3.49Å; E158-L283 VanDerWaalsContact OE1-CB 3.31Å; E158-L283 WeakPolarHBondContact OE1-CB 3.39Å; E158-L283 PolarHBondContact OE1-N 2.88Å; E158-L283 VanDerWaalsContact OE1-N 3.15Å
159R83.1Confident81.9Confident142 Ų14243.3 Ų43.354%0.53625%0.251SS..EExtended strand (participates in β ladder)trans-70.8126.6-178.3-61.7-171.6-172.4-166.71.6109.4L153 S154 D157L153-R159 WeakPolarHBondContact CA-O 3.43Å; S154-R159 PolarHBondContact N-O 3.23Å; S154-R159 PolarHBondContact O-N 3.13Å; D157-R159 HydrophobicContact CB-CG 4.13Å; D157-R159 PolarHBondContact O-N 3.05Å; D157-R159 IonicContact OD2-CZ 3.08Å; D157-R159 IonicContact OD2-NE 3.68Å; D157-R159 PolarHBondContact OD2-NE 3.28Å; D157-R159 IonicContact OD2-NH2 3.56Å; D157-R159 PolarHBondContact OD2-NH2 2.77Å
160L88.3Confident80.3Confident9 Ų949.4 Ų49.45%0.04728%0.283CS..EExtended strand (participates in β ladder)trans-87.8115.2175.5-166.377.7000109.4M151 E152 L153 E158 V172 L174 L177 L286M151-L160 HydrophobicContact CB-CD1 4.41Å; M151-L160 HydrophobicContact CG-CD1 4.39Å; M151-L160 HydrophobicContact SD-CD1 3.87Å; M151-L160 HydrophobicContact SD-CD2 4.24Å; E152-L160 WeakPolarHBondContact O-CA 3.2Å; L153-L160 HydrophobicContact CB-CD1 4.25Å; L153-L160 HydrophobicContact CD1-CB 3.96Å; L153-L160 HydrophobicContact CD1-CD1 3.66Å; L153-L160 HydrophobicContact CD1-CG 4.45Å; E158-L160 PolarHBondContact O-N 3.15Å; L160-V172 WeakPolarHBondContact CD2-O 3.22Å; L160-V172 PolarHBondContact O-N 2.94Å; L160-L174 HydrophobicContact CD1-CD2 4.45Å; L160-L174 HydrophobicContact CD2-CD2 3.63Å; L160-L174 HydrophobicContact CD2-CG 3.97Å; L160-L177 HydrophobicContact CD2-CD2 4.27Å; L160-L286 HydrophobicContact CD1-CD1 4.29Å
161R89Confident79Confident74 Ų7454.8 Ų54.828%0.27931%0.308SS..EExtended strand (participates in β ladder)trans-104.1132.1173.8-58.5-163.8-71-160.4-2.6109.7M151 E152 I200M151-R161 CarbonylContact C-O 3.58Å; M151-R161 WeakPolarHBondContact CA-O 3.16Å; M151-R161 WeakPolarHBondContact CB-O 3.47Å; E152-R161 HydrophobicContact CB-CB 4.49Å; E152-R161 PolarHBondContact N-O 3.45Å; E152-R161 PolarHBondContact O-N 3.4Å; E152-R161 IonicContact OE1-NH2 2.73Å; E152-R161 PolarHBondContact OE1-NH2 2.9Å; E152-R161 IonicContact OE2-CZ 2.93Å; E152-R161 IonicContact OE2-NE 2.72Å; E152-R161 PolarHBondContact OE2-NE 3.5Å; E152-R161 IonicContact OE2-NH2 2.67Å; E152-R161 PolarHBondContact OE2-NH2 3.25Å; R161-I200 PolarHBondContact NH2-O 3.01Å
162D92.4Very high78.1Confident10 Ų1055.7 Ų55.75%0.05332%0.315CS..EExtended strand (participates in β ladder)trans-79.6126.5162.9-173.2-19.7000108.6L164 A165 V172 L177 N178D162-L164 PolarHBondContact OD1-N 3.26Å; D162-A165 HydrophobicContact CB-CB 3.93Å; D162-A165 PolarHBondContact OD1-N 3.37Å; D162-V172 HydrophobicContact CB-CG2 3.94Å; D162-L177 HydrophobicContact CB-CD2 4.15Å; D162-N178 VanDerWaalsContact OD2-CB 3.31Å; D162-N178 WeakPolarHBondContact OD2-CB 3.48Å; D162-N178 PolarHBondContact OD2-N 3.16Å; D162-N178 PolarHBondContact OD2-ND2 3.37Å
163L92.8Very high77.3Confident10 Ų1061.3 Ų61.35%0.05234%0.341CS..SBendtrans-93.1-3-176.4-62.3170000112.8A150 E152 A195 S198 R199 F212A150-L163 HydrophobicContact CB-CB 4.1Å; A150-L163 HydrophobicContact CB-CD1 4.44Å; A150-L163 PolarHBondContact O-N 3.02Å; E152-L163 HydrophobicContact CB-CD1 4.05Å; E152-L163 HydrophobicContact CB-CD2 4.06Å; E152-L163 HydrophobicContact CB-CG 4.2Å; L163-A195 HydrophobicContact CB-CB 3.87Å; L163-A195 HydrophobicContact CD1-CB 4.26Å; L163-S198 WeakPolarHBondContact CD2-OG 3.25Å; L163-S198 PolarHBondContact O-OG 1.86Å; L163-R199 HydrophobicContact CD1-CG 3.94Å; L163-R199 HydrophobicContact CD2-CG 3.92Å; L163-F212 HydrophobicContact CD1-CD2 3.61Å; L163-F212 HydrophobicContact CD1-CE2 3.52Å
164L92.5Very high76.6Confident17 Ų1763 Ų639%0.08935%0.35CS..SBendtrans-111.30.5174-53.7-175.6000112.6V148 A150 D162 N178 V180 Y191 A195V148-L164 HydrophobicContact CG2-CD1 3.87Å; A150-L164 HydrophobicContact CB-CD1 4.35Å; A150-L164 HydrophobicContact CB-CD2 4.15Å; A150-L164 HydrophobicContact CB-CG 3.99Å; D162-L164 PolarHBondContact OD1-N 3.26Å; L164-N178 HydrophobicContact CB-CB 4.38Å; L164-V180 HydrophobicContact CB-CG2 4.18Å; L164-V180 HydrophobicContact CD1-CB 4.5Å; L164-V180 HydrophobicContact CD1-CG2 3.92Å; L164-Y191 HydrophobicContact CD2-CD1 4.14Å; L164-Y191 HydrophobicContact CD2-CG 4.47Å; L164-A195 HydrophobicContact CD2-CB 4.18Å
165A86.3Confident76Confident28 Ų2869.9 Ų69.923%0.23138%0.381CS..  trans-75.5139.5170.500000110.9D162 D167D162-A165 HydrophobicContact CB-CB 3.93Å; D162-A165 PolarHBondContact OD1-N 3.37Å; A165-D167 VanDerWaalsContact C-N 3.28Å
166N69.4Low76.3Confident155 Ų15574.2 Ų74.283%0.82940%0.401SS*.SBendtrans-68.8-30.6172.1-69.4-12.5000112S168N166-S168 PolarHBondContact O-N 2.85Å
167D65.8Low77Confident132 Ų13273.1 Ų73.171%0.70639%0.391SS*.  trans-96.390.3-177.1-59.8-58.5000109.9A165 G169A165-D167 VanDerWaalsContact C-N 3.28Å; D167-G169 PolarHBondContact O-N 2.84Å
168S59Low77.9Confident105 Ų10573.6 Ų73.673%0.73439%0.394SS*.THydrogen-bonded Turntrans-74.516.4-168.556.60000116.3N166N166-S168 PolarHBondContact O-N 2.85Å
169G58.4Low78.5Confident69 Ų6975 Ų7571%0.71140%0.4SS*.THydrogen-bonded Turntrans-114.1-27.3-169.400000116.9D167D167-G169 PolarHBondContact O-N 2.84Å
170D62.5Low79Confident128 Ų12870 Ų7068%0.68439%0.386SS*.SBendtrans-85.9140.8-170.6-76-10.4000112.6V172D170-V172 PolarHBondContact O-N 2.69Å
171E69.2Low79.4Confident115 Ų11576.7 Ų76.754%0.53741%0.41SS..  trans-77.1113.7172.6-176.7171170.300109.8K282E171-K282 VanDerWaalsContact OE1-CE 3.3Å; E171-K282 WeakPolarHBondContact OE1-CE 3.37Å; E171-K282 IonicContact OE1-NZ 3.06Å; E171-K282 PolarHBondContact OE1-NZ 2.89Å; E171-K282 IonicContact OE2-NZ 2.87Å
172V73.4Confident79.7Confident30 Ų3073.3 Ų73.318%0.18240%0.398CS..  trans-92.4138.3-174.1-172.40000110.4L160 D162 D170 N176 L177L160-V172 WeakPolarHBondContact CD2-O 3.22Å; L160-V172 PolarHBondContact O-N 2.94Å; D162-V172 HydrophobicContact CB-CG2 3.94Å; D170-V172 PolarHBondContact O-N 2.69Å; V172-N176 HydrophobicContact CG1-CB 4.04Å; V172-L177 HydrophobicContact CB-CD2 4.39Å; V172-L177 HydrophobicContact CG1-CD2 3.99Å
173E75.1Confident79.8Confident117 Ų11777.3 Ų77.355%0.54743%0.426SS..  trans-74.5145.1168-66.8-160.7120.800111.1Q175 N176E173-Q175 PolarHBondContact O-N 3.34Å; E173-N176 PolarHBondContact O-N 3.49Å
174L73.8Confident79.9Confident39 Ų3978.7 Ų78.720%0.20444%0.437CS..THydrogen-bonded Turntrans-52.1-16.7-179.9-73.1165.4000115.8M151 L160 R285 L286M151-L174 HydrophobicContact CE-CD2 4.47Å; M151-L174 HydrophobicContact SD-CD2 3.93Å; L160-L174 HydrophobicContact CD1-CD2 4.45Å; L160-L174 HydrophobicContact CD2-CD2 3.63Å; L160-L174 HydrophobicContact CD2-CG 3.97Å; L174-R285 HydrophobicContact CD1-CG 4.09Å; L174-L286 HydrophobicContact CD1-CB 4.35Å; L174-L286 HydrophobicContact CD2-CB 4.29Å; L174-L286 HydrophobicContact CD2-CD1 4.05Å; L174-L286 HydrophobicContact CD2-CG 3.98Å
175Q71.9Confident80Confident152 Ų15280 Ų8071%0.7145%0.445SS*.THydrogen-bonded Turntrans-91.8-15.5178.3-60.1-176.721.100113.8E173E173-Q175 PolarHBondContact O-N 3.34Å
176N78.4Confident80.5Confident104 Ų10484.7 Ų84.756%0.55646%0.462SS*.SBendtrans-110.816.4-169.1-60.9-25.8000113.2V172 E173V172-N176 HydrophobicContact CG1-CB 4.04Å; E173-N176 PolarHBondContact O-N 3.49Å
177L84.9Confident81.8Confident26 Ų2681.4 Ų81.414%0.13644%0.441CS..  trans-68.9144.5179.3-61.6167.6000112.1M151 L160 D162 V172 E179M151-L177 HydrophobicContact CB-CD2 4.15Å; M151-L177 HydrophobicContact CE-CD1 3.45Å; M151-L177 VanDerWaalsContact CE-CD1 3.45Å; M151-L177 HydrophobicContact SD-CD1 3.52Å; M151-L177 VanDerWaalsContact SD-CD1 3.52Å; M151-L177 HydrophobicContact SD-CD2 4.36Å; L160-L177 HydrophobicContact CD2-CD2 4.27Å; D162-L177 HydrophobicContact CB-CD2 4.15Å; V172-L177 HydrophobicContact CB-CD2 4.39Å; V172-L177 HydrophobicContact CG1-CD2 3.99Å; L177-E179 PolarHBondContact O-N 2.92Å
178N89.8Confident83.3Confident76 Ų7675.1 Ų75.141%0.40641%0.407SS..  trans-71.599.9179.7-74.7-78.3000111.7D162 L164 V180D162-N178 VanDerWaalsContact OD2-CB 3.31Å; D162-N178 WeakPolarHBondContact OD2-CB 3.48Å; D162-N178 PolarHBondContact OD2-N 3.16Å; D162-N178 PolarHBondContact OD2-ND2 3.37Å; L164-N178 HydrophobicContact CB-CB 4.38Å; N178-V180 HydrophobicContact CB-CG2 4.49Å; N178-V180 PolarHBondContact O-N 2.96Å
179E92.4Very high85Confident38 Ų3871.8 Ų71.818%0.17839%0.386CS..  trans-82.790.8169.2-70.8-170.5-176.100111.6R147 V148 L177 H217 Y219 R235R147-E179 HydrophobicContact CB-CB 4.24Å; R147-E179 WeakPolarHBondContact CD-OE2 3.28Å; R147-E179 IonicContact CZ-OE2 3.31Å; R147-E179 PolarHBondContact NE-O 2.77Å; R147-E179 IonicContact NE-OE2 3.06Å; R147-E179 IonicContact NH1-OE2 2.7Å; R147-E179 PolarHBondContact NH1-OE2 3.01Å; R147-E179 PolarHBondContact NH2-O 2.82Å; V148-E179 CarbonylContact O-C 3.57Å; V148-E179 VanDerWaalsContact O-CA 3.3Å; V148-E179 WeakPolarHBondContact O-CA 3.23Å; L177-E179 PolarHBondContact O-N 2.92Å; E179-H217 IonicContact OE1-CD2 3.41Å; E179-H217 IonicContact OE1-CE1 3.82Å; E179-H217 IonicContact OE1-CG 3.76Å; E179-H217 IonicContact OE1-ND1 2.78Å; E179-Y219 PolarHBondContact OE2-OH 3.19Å; E179-R235 IonicContact OE1-CZ 3.61Å; E179-R235 IonicContact OE1-NH1 3.18Å; E179-R235 PolarHBondContact OE1-NH1 3.27Å; E179-R235 IonicContact OE1-NH2 2.81Å; E179-R235 PolarHBondContact OE1-NH2 2.94Å; E179-R235 IonicContact OE2-CZ 3.66Å; E179-R235 IonicContact OE2-NH1 3.91Å; E179-R235 PolarHBondContact OE2-NH1 2.86Å
180V94.1Very high86.7Confident37 Ų3773.4 Ų73.422%0.22438%0.375CS..EExtended strand (participates in β ladder)trans-80.1132-178.3-169.10000110.8R147 V148 L164 N178 Y191R147-V180 CarbonylContact C-O 3.5Å; R147-V180 WeakPolarHBondContact CA-O 3.37Å; R147-V180 WeakPolarHBondContact CB-O 3.28Å; V148-V180 HydrophobicContact CG2-CB 4.2Å; V148-V180 PolarHBondContact N-O 2.85Å; V148-V180 PolarHBondContact O-N 2.95Å; L164-V180 HydrophobicContact CB-CG2 4.18Å; L164-V180 HydrophobicContact CD1-CB 4.5Å; L164-V180 HydrophobicContact CD1-CG2 3.92Å; N178-V180 HydrophobicContact CB-CG2 4.49Å; N178-V180 PolarHBondContact O-N 2.96Å; V180-Y191 HydrophobicContact CB-CE2 4.29Å; V180-Y191 HydrophobicContact CG1-CD2 4.38Å; V180-Y191 HydrophobicContact CG1-CE1 4.17Å; V180-Y191 HydrophobicContact CG1-CE2 3.59Å; V180-Y191 VanDerWaalsContact CG1-CZ 3.5Å
181R95.9Very high88.4Confident149 Ų14969.1 Ų69.156%0.56235%0.349SS*.EExtended strand (participates in β ladder)trans-73.9131.5178.4-176.2-175.2173.390.315.9110.8T145T145-R181 PolarHBondContact OG1-NH1 2.89Å; T145-R181 PolarHBondContact OG1-NH2 2.89Å
182V96.5Very high89.6Confident3 Ų364 Ų642%0.01833%0.325CS..EExtended strand (participates in β ladder)trans-119.3131.1177.7-73.10000111.1Y130 V146 V148 K187 A188 Y191Y130-V182 WeakPolarHBondContact OH-CB 3.28Å; Y130-V182 WeakPolarHBondContact OH-CG2 3.33Å; Y130-V182 PolarHBondContact OH-O 3.05Å; V146-V182 HydrophobicContact CB-CG2 3.8Å; V146-V182 HydrophobicContact CG1-CG2 3.61Å; V146-V182 WeakPolarHBondContact O-CG2 3.3Å; V146-V182 PolarHBondContact O-N 2.83Å; V148-V182 HydrophobicContact CG1-CB 4.44Å; V148-V182 HydrophobicContact CG1-CG1 3.85Å; V148-V182 HydrophobicContact CG1-CG2 3.69Å; V148-V182 HydrophobicContact CG2-CG1 3.92Å; V182-K187 HydrophobicContact CG1-CG 4.29Å; V182-A188 HydrophobicContact CB-CB 4.33Å; V182-A188 HydrophobicContact CG1-CB 4.26Å; V182-A188 HydrophobicContact CG2-CB 4.38Å; V182-Y191 HydrophobicContact CG1-CD2 3.58Å; V182-Y191 HydrophobicContact CG1-CE2 3.85Å
183S93.3Very high90.6Very high94 Ų9466.7 Ų66.766%0.65734%0.339SS*.  trans-89.9-34.6-179.940.40000112.8
184S94.6Very high91.5Very high38 Ų3864.9 Ų64.927%0.26633%0.331SS..SBendtrans-140.1172.4-17077.70000112.9Y130 E186 K187 A188Y130-S184 PolarHBondContact OH-O 3.21Å; S184-E186 VanDerWaalsContact C-N 3.34Å; S184-E186 WeakPolarHBondContact CB-OE2 3.47Å; S184-E186 PolarHBondContact OG-OE2 3.33Å; S184-K187 PolarHBondContact OG-N 3.29Å; S184-A188 PolarHBondContact O-N 3.32Å
185V96Very high92.4Very high44 Ų4463 Ų6327%0.26732%0.322SS..Hα-helixtrans-62.1-43.7178.8173.50000110.8I126 Y130 K187 A188 A189I126-V185 HydrophobicContact CG2-CG1 4.19Å; Y130-V185 HydrophobicContact CD1-CG2 4.2Å; Y130-V185 HydrophobicContact CD2-CG2 3.78Å; Y130-V185 HydrophobicContact CG-CG2 3.52Å; V185-K187 PolarHBondContact O-N 2.84Å; V185-A188 PolarHBondContact O-N 2.95Å; V185-A188 VanDerWaalsContact O-N 3.13Å; V185-A189 PolarHBondContact O-N 3.45Å
186E96.2Very high93.3Very high127 Ų12758 Ų5859%0.59330%0.3SS*.Hα-helixtrans-66.2-40.9-174.6-49.369-142.700110S184 A188 A189 H190S184-E186 VanDerWaalsContact C-N 3.34Å; S184-E186 WeakPolarHBondContact CB-OE2 3.47Å; S184-E186 PolarHBondContact OG-OE2 3.33Å; E186-A188 VanDerWaalsContact C-N 3.33Å; E186-A188 PolarHBondContact O-N 2.98Å; E186-A189 PolarHBondContact O-N 2.95Å; E186-H190 WeakPolarHBondContact O-CB 3.28Å; E186-H190 PolarHBondContact O-N 3.41Å
187K96.4Very high93.9Very high87 Ų8757.8 Ų57.838%0.37831%0.306SS..Hα-helixtrans-69.4-30175.3-166.3166.6-177.4159.60112.6V182 S184 V185 Y191V182-K187 HydrophobicContact CG1-CG 4.29Å; S184-K187 PolarHBondContact OG-N 3.29Å; V185-K187 PolarHBondContact O-N 2.84Å; K187-Y191 HydrophobicContact CD-CE2 4.38Å; K187-Y191 WeakPolarHBondContact CE-OH 3.42Å; K187-Y191 HydrophobicContact CG-CD2 4.3Å; K187-Y191 HydrophobicContact CG-CE2 3.82Å; K187-Y191 WeakPolarHBondContact O-CD2 3.27Å; K187-Y191 PolarHBondContact O-N 3.49Å
188A96.5Very high94.2Very high0 Ų058.6 Ų58.60%031%0.314CS..Hα-helixtrans-74-38.4172.900000112.3I126 Y130 V148 V182 S184 V185 E186 Y191 L192 Y214I126-A188 HydrophobicContact CD1-CB 4.46Å; I126-A188 HydrophobicContact CG2-CB 3.63Å; Y130-A188 HydrophobicContact CE2-CB 4.01Å; V148-A188 HydrophobicContact CG1-CB 4.36Å; V182-A188 HydrophobicContact CB-CB 4.33Å; V182-A188 HydrophobicContact CG1-CB 4.26Å; V182-A188 HydrophobicContact CG2-CB 4.38Å; S184-A188 PolarHBondContact O-N 3.32Å; V185-A188 PolarHBondContact O-N 2.95Å; V185-A188 VanDerWaalsContact O-N 3.13Å; E186-A188 VanDerWaalsContact C-N 3.33Å; E186-A188 PolarHBondContact O-N 2.98Å; A188-Y191 PolarHBondContact O-N 2.88Å; A188-L192 PolarHBondContact O-N 3.47Å; A188-Y214 PolarHBondContact O-OH 3.49Å
189A94.8Very high94.1Very high35 Ų3556.7 Ų56.729%0.28930%0.301SS..Hα-helixtrans-62.5-46.7171.500000111.4V185 E186 Y191 L192 D193V185-A189 PolarHBondContact O-N 3.45Å; E186-A189 PolarHBondContact O-N 2.95Å; A189-Y191 VanDerWaalsContact C-N 3.29Å; A189-Y191 PolarHBondContact O-N 2.96Å; A189-L192 CarbonylContact O-C 3.54Å; A189-L192 VanDerWaalsContact O-CA 3.32Å; A189-L192 WeakPolarHBondContact O-CA 3.28Å; A189-L192 WeakPolarHBondContact O-CB 3.33Å; A189-L192 PolarHBondContact O-N 3.43Å; A189-D193 PolarHBondContact O-N 3.39Å
190H95.7Very high93.6Very high102 Ų10260.8 Ų60.847%0.47232%0.323SS..Hα-helixtrans-54.5-41.4176.2179.869000113.3E186 L192 D193 M194E186-H190 WeakPolarHBondContact O-CB 3.28Å; E186-H190 PolarHBondContact O-N 3.41Å; H190-L192 VanDerWaalsContact C-N 3.34Å; H190-D193 PolarHBondContact O-N 2.86Å; H190-M194 WeakPolarHBondContact O-CG 3.35Å; H190-M194 PolarHBondContact O-N 2.94Å
191Y96.5Very high93Very high39 Ų3961.4 Ų61.415%0.15332%0.323CS..Hα-helixtrans-72.7-22.2173.9-71.9-55000114V148 L164 V180 V182 K187 A188 A189 M194 A195V148-Y191 HydrophobicContact CG2-CD2 3.83Å; V148-Y191 HydrophobicContact CG2-CG 4.06Å; L164-Y191 HydrophobicContact CD2-CD1 4.14Å; L164-Y191 HydrophobicContact CD2-CG 4.47Å; V180-Y191 HydrophobicContact CB-CE2 4.29Å; V180-Y191 HydrophobicContact CG1-CD2 4.38Å; V180-Y191 HydrophobicContact CG1-CE1 4.17Å; V180-Y191 HydrophobicContact CG1-CE2 3.59Å; V180-Y191 VanDerWaalsContact CG1-CZ 3.5Å; V182-Y191 HydrophobicContact CG1-CD2 3.58Å; V182-Y191 HydrophobicContact CG1-CE2 3.85Å; K187-Y191 HydrophobicContact CD-CE2 4.38Å; K187-Y191 WeakPolarHBondContact CE-OH 3.42Å; K187-Y191 HydrophobicContact CG-CD2 4.3Å; K187-Y191 HydrophobicContact CG-CE2 3.82Å; K187-Y191 WeakPolarHBondContact O-CD2 3.27Å; K187-Y191 PolarHBondContact O-N 3.49Å; A188-Y191 PolarHBondContact O-N 2.88Å; A189-Y191 VanDerWaalsContact C-N 3.29Å; A189-Y191 PolarHBondContact O-N 2.96Å; Y191-M194 HydrophobicContact CD1-SD 3.64Å; Y191-M194 HydrophobicContact CE1-SD 3.81Å; Y191-A195 WeakPolarHBondContact O-CB 3.5Å; Y191-A195 PolarHBondContact O-N 2.92Å; Y191-A195 VanDerWaalsContact O-N 3.13Å
192L95.1Very high92.2Very high6 Ų658 Ų583%0.03133%0.334CS..Hα-helixtrans-68.6-45.4166.3176.563.2000110.2I122 I126 A188 A189 H190 A195 L196 F212 Y214I122-L192 HydrophobicContact CB-CD2 4.16Å; I122-L192 HydrophobicContact CD1-CD1 4.27Å; I122-L192 HydrophobicContact CG2-CD1 3.95Å; I122-L192 HydrophobicContact CG2-CD2 3.63Å; I122-L192 HydrophobicContact CG2-CG 4.39Å; I126-L192 HydrophobicContact CD1-CD2 4.38Å; A188-L192 PolarHBondContact O-N 3.47Å; A189-L192 CarbonylContact O-C 3.54Å; A189-L192 VanDerWaalsContact O-CA 3.32Å; A189-L192 WeakPolarHBondContact O-CA 3.28Å; A189-L192 WeakPolarHBondContact O-CB 3.33Å; A189-L192 PolarHBondContact O-N 3.43Å; H190-L192 VanDerWaalsContact C-N 3.34Å; L192-A195 CarbonylContact O-C 3.51Å; L192-A195 PolarHBondContact O-N 3.15Å; L192-A195 VanDerWaalsContact O-N 3.13Å; L192-L196 HydrophobicContact CD1-CD1 4.09Å; L192-L196 HydrophobicContact CD1-CG 4.12Å; L192-L196 HydrophobicContact CG-CD1 3.97Å; L192-L196 HydrophobicContact CG-CG 4.4Å; L192-L196 VanDerWaalsContact O-CG 3.32Å; L192-L196 WeakPolarHBondContact O-CG 3.28Å; L192-L196 PolarHBondContact O-N 2.77Å; L192-F212 HydrophobicContact CD1-CE1 4.16Å; L192-F212 HydrophobicContact CD1-CZ 3.9Å; L192-Y214 HydrophobicContact CB-CE2 3.94Å; L192-Y214 HydrophobicContact CD1-CD2 3.88Å; L192-Y214 HydrophobicContact CD1-CE2 4.08Å; L192-Y214 HydrophobicContact CD1-CG 4.36Å
193D93.9Very high91.4Very high88 Ų8860 Ų6047%0.47135%0.348SS..Hα-helixtrans-65.4-41.2-179.5-55.6-38.5000111.9A189 H190 A195 L196 S197A189-D193 PolarHBondContact O-N 3.39Å; H190-D193 PolarHBondContact O-N 2.86Å; D193-A195 VanDerWaalsContact C-N 3.35Å; D193-L196 PolarHBondContact O-N 3.06Å; D193-S197 VanDerWaalsContact O-CB 3.28Å; D193-S197 WeakPolarHBondContact O-CB 3.39Å; D193-S197 PolarHBondContact O-N 3.44Å; D193-S197 PolarHBondContact O-OG 3.48Å
194M94.1Very high90.7Very high78 Ų7861.6 Ų61.638%0.38435%0.345SS..Hα-helixtrans-59-44169.7-71.7-17970.900112.1H190 Y191 S197 S198H190-M194 WeakPolarHBondContact O-CG 3.35Å; H190-M194 PolarHBondContact O-N 2.94Å; Y191-M194 HydrophobicContact CD1-SD 3.64Å; Y191-M194 HydrophobicContact CE1-SD 3.81Å; M194-S197 PolarHBondContact O-N 3.39Å; M194-S198 PolarHBondContact O-N 3.44Å; M194-S198 VanDerWaalsContact O-N 3.08Å; M194-S198 PolarHBondContact O-OG 3.23Å
195A93.7Very high89.8Confident0 Ų060.7 Ų60.70%034%0.337CS..Hα-helixtrans-70.6-30.5-18000000113A150 L163 L164 Y191 L192 D193 S198 R199 F212A150-A195 HydrophobicContact CB-CB 3.44Å; A150-A195 VanDerWaalsContact CB-CB 3.44Å; L163-A195 HydrophobicContact CB-CB 3.87Å; L163-A195 HydrophobicContact CD1-CB 4.26Å; L164-A195 HydrophobicContact CD2-CB 4.18Å; Y191-A195 WeakPolarHBondContact O-CB 3.5Å; Y191-A195 PolarHBondContact O-N 2.92Å; Y191-A195 VanDerWaalsContact O-N 3.13Å; L192-A195 CarbonylContact O-C 3.51Å; L192-A195 PolarHBondContact O-N 3.15Å; L192-A195 VanDerWaalsContact O-N 3.13Å; D193-A195 VanDerWaalsContact C-N 3.35Å; A195-S198 WeakPolarHBondContact CA-OG 3.44Å; A195-S198 PolarHBondContact O-OG 2.8Å; A195-R199 WeakPolarHBondContact O-CG 3.31Å; A195-F212 HydrophobicContact CB-CE2 4.27Å; A195-F212 HydrophobicContact CB-CZ 4.5Å
196L91.5Very high89Confident48 Ų4860.6 Ų60.625%0.25133%0.333SS..Hα-helixtrans-74.7-38.2172.5-68.2173.2000111.1V110 L192 D193 S198 R199 F212V110-L196 HydrophobicContact CG1-CD1 3.74Å; V110-L196 HydrophobicContact CG2-CD1 4.05Å; V110-L196 HydrophobicContact CG2-CD2 3.97Å; L192-L196 HydrophobicContact CD1-CD1 4.09Å; L192-L196 HydrophobicContact CD1-CG 4.12Å; L192-L196 HydrophobicContact CG-CD1 3.97Å; L192-L196 HydrophobicContact CG-CG 4.4Å; L192-L196 VanDerWaalsContact O-CG 3.32Å; L192-L196 WeakPolarHBondContact O-CG 3.28Å; L192-L196 PolarHBondContact O-N 2.77Å; D193-L196 PolarHBondContact O-N 3.06Å; L196-S198 VanDerWaalsContact C-N 3.32Å; L196-S198 PolarHBondContact O-N 2.7Å; L196-R199 PolarHBondContact O-N 3.46Å; L196-F212 HydrophobicContact CD2-CE1 3.99Å; L196-F212 HydrophobicContact CD2-CZ 4.05Å
197S90.9Very high88.3Confident98 Ų9859.6 Ų59.669%0.68533%0.329SS*.Hα-helixtrans-69.1-25.9179.4-58.90000113.8D193 M194D193-S197 VanDerWaalsContact O-CB 3.28Å; D193-S197 WeakPolarHBondContact O-CB 3.39Å; D193-S197 PolarHBondContact O-N 3.44Å; D193-S197 PolarHBondContact O-OG 3.48Å; M194-S197 PolarHBondContact O-N 3.39Å
198S89.7Confident87.4Confident43 Ų4358.8 Ų58.830%0.30132%0.323SS..THydrogen-bonded Turntrans-83.8-10.8176.6470000114.1L163 M194 A195 L196 I200L163-S198 WeakPolarHBondContact CD2-OG 3.25Å; L163-S198 PolarHBondContact O-OG 1.86Å; M194-S198 PolarHBondContact O-N 3.44Å; M194-S198 VanDerWaalsContact O-N 3.08Å; M194-S198 PolarHBondContact O-OG 3.23Å; A195-S198 WeakPolarHBondContact CA-OG 3.44Å; A195-S198 PolarHBondContact O-OG 2.8Å; L196-S198 VanDerWaalsContact C-N 3.32Å; L196-S198 PolarHBondContact O-N 2.7Å; S198-I200 VanDerWaalsContact C-N 3.32Å; S198-I200 PolarHBondContact O-N 3.34Å
199R88.8Confident86.6Confident36 Ų3659 Ų5914%0.13632%0.324CS..  trans-76.678.6175.5-71.9178.370.2-166.71.5111.7E152 L163 A195 L196 F201 S210E152-R199 HydrophobicContact CG-CG 4.47Å; L163-R199 HydrophobicContact CD1-CG 3.94Å; L163-R199 HydrophobicContact CD2-CG 3.92Å; A195-R199 WeakPolarHBondContact O-CG 3.31Å; L196-R199 PolarHBondContact O-N 3.46Å; R199-F201 HydrophobicContact CB-CE1 4.39Å; R199-F201 HydrophobicContact CB-CE2 4.29Å; R199-F201 HydrophobicContact CB-CZ 3.82Å; R199-F201 WeakPolarHBondContact O-CE2 3.49Å; R199-S210 PolarHBondContact NH2-OG 3.29Å
200I81.1Confident86.2Confident124 Ų12457.4 Ų57.464%0.63631%0.311SS*.  trans-89.6128.8173.6-55.9174000109.4R161 S198R161-I200 PolarHBondContact NH2-O 3.01Å; S198-I200 VanDerWaalsContact C-N 3.32Å; S198-I200 PolarHBondContact O-N 3.34Å
201F81.8Confident85.9Confident51 Ų5152.7 Ų52.722%0.22429%0.289CS..  trans-115.7137.9177.3-45.6-70.8000110.9E152 R199 E206 Q207 S210E152-F201 WeakPolarHBondContact OE1-CE1 3.4Å; R199-F201 HydrophobicContact CB-CE1 4.39Å; R199-F201 HydrophobicContact CB-CE2 4.29Å; R199-F201 HydrophobicContact CB-CZ 3.82Å; R199-F201 WeakPolarHBondContact O-CE2 3.49Å; F201-E206 HydrophobicContact CD1-CG 4.41Å; F201-Q207 HydrophobicContact CB-CB 4.18Å; F201-Q207 HydrophobicContact CD1-CB 4.17Å; F201-Q207 HydrophobicContact CD2-CB 3.76Å; F201-Q207 HydrophobicContact CD2-CG 3.69Å; F201-Q207 HydrophobicContact CE2-CB 4.16Å; F201-Q207 HydrophobicContact CE2-CG 3.66Å; F201-Q207 HydrophobicContact CG-CB 3.76Å; F201-Q207 HydrophobicContact CG-CG 4.2Å; F201-Q207 HydrophobicContact CZ-CG 4.13Å; F201-S210 VanDerWaalsContact CE1-OG 3.27Å; F201-S210 WeakPolarHBondContact CE1-OG 3.4Å
202G78.1Confident85.7Confident77 Ų7750.9 Ų50.979%0.79428%0.282SS*.SBendtrans-85.6-11.1174.200000114.1E206G202-E206 PolarHBondContact N-OE2 2.93Å
203S81.2Confident85.7Confident46 Ų4650.8 Ų50.832%0.32228%0.281SS..SBendtrans-158.9156.4175.663.90000112.3E205 E206 Q207S203-E205 PolarHBondContact O-N 3.44Å; S203-E206 WeakPolarHBondContact O-CB 3.43Å; S203-E206 PolarHBondContact O-N 2.86Å; S203-E206 PolarHBondContact OG-N 2.93Å; S203-Q207 PolarHBondContact O-N 3.26Å
204E78.1Confident85.8Confident127 Ų12746.6 Ų46.659%0.59326%0.259SS*.Hα-helixtrans-62-32174.4-46.3179164.300112.8E206 Q207 R208E204-E206 PolarHBondContact O-N 3.31Å; E204-Q207 PolarHBondContact O-N 3.41Å; E204-R208 WeakPolarHBondContact O-CB 3.16Å; E204-R208 WeakPolarHBondContact O-CG 3.44Å; E204-R208 PolarHBondContact O-N 2.97Å; E204-R208 IonicContact OE2-CZ 2.65Å; E204-R208 IonicContact OE2-NH1 3.56Å; E204-R208 PolarHBondContact OE2-NH1 2.93Å
205E76.3Confident85.9Confident19 Ų1942.9 Ų42.99%0.08924%0.241CC..Hα-helixtrans-65.1-27176.1-172-169.8-130.600111.6S203 N209 C249 T250 K251 R254S203-E205 PolarHBondContact O-N 3.44Å; E205-N209 WeakPolarHBondContact O-CB 3.32Å; E205-N209 PolarHBondContact O-ND2 3.47Å; E205-C249 VanDerWaalsContact CD-SG 3.57Å; E205-C249 PolarHBondContact OE1-SG 2.99Å; E205-T250 PolarHBondContact OE1-N 3.49Å; E205-T250 PolarHBondContact OE1-OG1 3Å; E205-K251 IonicContact OE2-NZ 3.49Å; E205-K251 PolarHBondContact OE2-NZ 3.18Å; E205-R254 IonicContact OE2-NH1 2.77Å; E205-R254 PolarHBondContact OE2-NH1 3.21Å
206E79Confident86.1Confident42 Ų4242.9 Ų42.920%0.19624%0.241CC..Hα-helixtrans-78.8-44.6171-177.8171.1-122.600111G155 F201 G202 S203 E204 R208 N209 S210G155-E206 WeakPolarHBondContact CA-OE1 3.33Å; F201-E206 HydrophobicContact CD1-CG 4.41Å; G202-E206 PolarHBondContact N-OE2 2.93Å; S203-E206 WeakPolarHBondContact O-CB 3.43Å; S203-E206 PolarHBondContact O-N 2.86Å; S203-E206 PolarHBondContact OG-N 2.93Å; E204-E206 PolarHBondContact O-N 3.31Å; E206-R208 PolarHBondContact O-N 2.97Å; E206-N209 CarbonylContact O-C 3.6Å; E206-N209 VanDerWaalsContact O-C 3.23Å; E206-N209 PolarHBondContact O-N 2.89Å; E206-S210 WeakPolarHBondContact O-CB 3.24Å; E206-S210 PolarHBondContact O-N 3.37Å
207Q80.4Confident86.3Confident106 Ų10641.2 Ų41.250%0.49523%0.232SC..Hα-helixtrans-56.9-50.3175.4-176.717710.500112.4F201 S203 E204 N209 S210F201-Q207 HydrophobicContact CB-CB 4.18Å; F201-Q207 HydrophobicContact CD1-CB 4.17Å; F201-Q207 HydrophobicContact CD2-CB 3.76Å; F201-Q207 HydrophobicContact CD2-CG 3.69Å; F201-Q207 HydrophobicContact CE2-CB 4.16Å; F201-Q207 HydrophobicContact CE2-CG 3.66Å; F201-Q207 HydrophobicContact CG-CB 3.76Å; F201-Q207 HydrophobicContact CG-CG 4.2Å; F201-Q207 HydrophobicContact CZ-CG 4.13Å; S203-Q207 PolarHBondContact O-N 3.26Å; E204-Q207 PolarHBondContact O-N 3.41Å; Q207-N209 PolarHBondContact O-N 2.72Å; Q207-S210 PolarHBondContact O-N 3.25Å; Q207-S210 VanDerWaalsContact O-N 3.15Å; Q207-S210 PolarHBondContact O-OG 2.82Å
208R78.1Confident86.6Confident70 Ų7036.6 Ų36.626%0.26420%0.2SC..THydrogen-bonded Turntrans-68.7-15.6-179.1-65.9-165.3-59.5-92.66.5114.1E204 E206 S245 G246 E247E204-R208 WeakPolarHBondContact O-CB 3.16Å; E204-R208 WeakPolarHBondContact O-CG 3.44Å; E204-R208 PolarHBondContact O-N 2.97Å; E204-R208 IonicContact OE2-CZ 2.65Å; E204-R208 IonicContact OE2-NH1 3.56Å; E204-R208 PolarHBondContact OE2-NH1 2.93Å; E206-R208 PolarHBondContact O-N 2.97Å; R208-S245 PolarHBondContact O-N 3.43Å; R208-S245 VanDerWaalsContact O-N 3.09Å; R208-G246 PolarHBondContact O-N 3.36Å; R208-E247 VanDerWaalsContact CD-OE2 3.32Å; R208-E247 WeakPolarHBondContact CD-OE2 3.22Å; R208-E247 IonicContact CZ-OE2 2.74Å; R208-E247 IonicContact NE-OE1 3.27Å; R208-E247 IonicContact NE-OE2 2.69Å; R208-E247 PolarHBondContact NE-OE2 3.37Å; R208-E247 IonicContact NH2-OE2 3.95Å
209N80.1Confident86.8Confident5 Ų536.5 Ų36.53%0.02719%0.193CC..THydrogen-bonded Turntrans-118.724.2174.7-63.8-66.3000112E205 E206 Q207 G246 E247E205-N209 WeakPolarHBondContact O-CB 3.32Å; E205-N209 PolarHBondContact O-ND2 3.47Å; E206-N209 CarbonylContact O-C 3.6Å; E206-N209 VanDerWaalsContact O-C 3.23Å; E206-N209 PolarHBondContact O-N 2.89Å; Q207-N209 PolarHBondContact O-N 2.72Å; N209-G246 WeakPolarHBondContact OD1-CA 3.3Å; N209-E247 PolarHBondContact OD1-N 2.95Å; N209-E247 PolarHBondContact OD1-O 2.67Å
210S86.4Confident87Confident1 Ų136 Ų361%0.00719%0.192CC..  trans-93.7135.8169.369.80000109R199 F201 E206 Q207R199-S210 PolarHBondContact NH2-OG 3.29Å; F201-S210 VanDerWaalsContact CE1-OG 3.27Å; F201-S210 WeakPolarHBondContact CE1-OG 3.4Å; E206-S210 WeakPolarHBondContact O-CB 3.24Å; E206-S210 PolarHBondContact O-N 3.37Å; Q207-S210 PolarHBondContact O-N 3.25Å; Q207-S210 VanDerWaalsContact O-N 3.15Å; Q207-S210 PolarHBondContact O-OG 2.82Å
211H90.2Very high87.4Confident3 Ų335.2 Ų35.21%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-109.6130.9177-43.8-67.4000108.5E152 L153 D242 L243 L283E152-H211 CarbonylContact C-O 3.5Å; E152-H211 WeakPolarHBondContact CA-O 3.4Å; L153-H211 HydrophobicContact CB-CB 4.33Å; L153-H211 PolarHBondContact N-O 3.28Å; L153-H211 PolarHBondContact O-N 3.11Å; H211-D242 CarbonylContact C-O 3.6Å; H211-D242 WeakPolarHBondContact CA-O 2.92Å; H211-L243 PolarHBondContact CE1-O 2.77Å; H211-L243 VanDerWaalsContact CE1-O 3.31Å; H211-L243 PolarHBondContact ND1-O 2.73Å; H211-L283 HydrophobicContact CB-CD1 4.08Å
212F92.2Very high87.5Confident1 Ų136.5 Ų36.50%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-117.8132-175.7171-120.8000110.2I122 A150 L163 L192 A195 L196 Y214 I241 D242I122-F212 HydrophobicContact CD1-CD1 4.35Å; I122-F212 HydrophobicContact CD1-CE1 3.71Å; A150-F212 HydrophobicContact CB-CE2 4.41Å; L163-F212 HydrophobicContact CD1-CD2 3.61Å; L163-F212 HydrophobicContact CD1-CE2 3.52Å; L192-F212 HydrophobicContact CD1-CE1 4.16Å; L192-F212 HydrophobicContact CD1-CZ 3.9Å; A195-F212 HydrophobicContact CB-CE2 4.27Å; A195-F212 HydrophobicContact CB-CZ 4.5Å; L196-F212 HydrophobicContact CD2-CE1 3.99Å; L196-F212 HydrophobicContact CD2-CZ 4.05Å; F212-Y214 HydrophobicContact CZ-CD2 4.31Å; F212-I241 WeakPolarHBondContact O-CA 3.48Å; F212-D242 HydrophobicContact CB-CB 4.46Å; F212-D242 PolarHBondContact N-O 3.36Å; F212-D242 PolarHBondContact O-N 2.58Å
213V94.3Very high87.6Confident3 Ų338 Ų382%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-130.9112.2-176.9-174.50000110.3A150 M151 L240 I241 L286A150-V213 WeakPolarHBondContact CA-O 3.4Å; M151-V213 HydrophobicContact CE-CB 4.05Å; M151-V213 HydrophobicContact CE-CG1 3.8Å; M151-V213 HydrophobicContact CG-CB 3.74Å; M151-V213 HydrophobicContact CG-CG1 4.49Å; M151-V213 HydrophobicContact CG-CG2 4.43Å; M151-V213 PolarHBondContact N-O 3.11Å; M151-V213 PolarHBondContact O-N 2.67Å; M151-V213 HydrophobicContact SD-CB 4.41Å; V213-L240 WeakPolarHBondContact CA-O 3.18Å; V213-I241 HydrophobicContact CB-CG1 4.32Å; V213-I241 HydrophobicContact CG1-CD1 4.49Å; V213-I241 HydrophobicContact CG1-CG1 3.7Å; V213-I241 HydrophobicContact CG2-CB 4.39Å; V213-I241 HydrophobicContact CG2-CG1 3.92Å; V213-I241 HydrophobicContact CG2-CG2 4.14Å; V213-L286 HydrophobicContact CG2-CD1 4.01Å; V213-L286 HydrophobicContact CG2-CD2 4.1Å
214Y95.9Very high87.2Confident0 Ų037.3 Ų37.30%017%0.174CC..EExtended strand (participates in β ladder)trans-107.7127.2173.1-168-90.8000108.5I122 I126 V148 A150 A188 L192 F212 L216 L240I122-Y214 HydrophobicContact CG2-CD1 3.87Å; I122-Y214 HydrophobicContact CG2-CE1 4.24Å; I122-Y214 HydrophobicContact CG2-CG 4.28Å; I126-Y214 HydrophobicContact CD1-CE1 3.98Å; I126-Y214 HydrophobicContact CG1-CE1 4.34Å; V148-Y214 WeakPolarHBondContact CG1-OH 3.32Å; A150-Y214 HydrophobicContact CB-CD2 3.78Å; A150-Y214 HydrophobicContact CB-CE2 4.29Å; A188-Y214 PolarHBondContact O-OH 3.49Å; L192-Y214 HydrophobicContact CB-CE2 3.94Å; L192-Y214 HydrophobicContact CD1-CD2 3.88Å; L192-Y214 HydrophobicContact CD1-CE2 4.08Å; L192-Y214 HydrophobicContact CD1-CG 4.36Å; F212-Y214 HydrophobicContact CZ-CD2 4.31Å; Y214-L216 HydrophobicContact CD1-CD2 4.49Å; Y214-L216 HydrophobicContact CE1-CD2 3.68Å; Y214-L216 HydrophobicContact CE1-CG 4.34Å; Y214-L240 HydrophobicContact CD1-CD1 4.49Å; Y214-L240 PolarHBondContact N-O 2.81Å; Y214-L240 WeakPolarHBondContact O-CA 3.44Å; Y214-L240 WeakPolarHBondContact O-CB 3.38Å; Y214-L240 PolarHBondContact O-N 2.83Å
215T96.7Very high87Confident0 Ų040.4 Ų40.40%019%0.189CC..EExtended strand (participates in β ladder)trans-125.8126.3-178-57.20000111.5V148 S149 H217 R237 L238 H239V148-T215 WeakPolarHBondContact CA-O 3.45Å; S149-T215 PolarHBondContact N-O 3.16Å; S149-T215 VanDerWaalsContact N-O 3.08Å; S149-T215 PolarHBondContact O-N 3.07Å; T215-H217 VanDerWaalsContact CG2-CE1 3.43Å; T215-H217 WeakPolarHBondContact CG2-CE1 3.41Å; T215-R237 HydrophobicContact CG2-CB 4.2Å; T215-L238 WeakPolarHBondContact CA-O 3.43Å; T215-H239 VanDerWaalsContact CG2-ND1 3.29Å; T215-H239 WeakPolarHBondContact CG2-ND1 3.43Å; T215-H239 PolarHBondContact OG1-ND1 2.92Å
216L97.4Very high86.6Confident0 Ų043.6 Ų43.60%021%0.206CC..EExtended strand (participates in β ladder)trans-90.5119.2165.9-58.4-179.5000109.1I126 I129 V148 Y214 I218 R237 L238I126-L216 HydrophobicContact CG1-CD1 4.25Å; I126-L216 HydrophobicContact CG1-CD2 4.38Å; I129-L216 HydrophobicContact CB-CD1 4.33Å; I129-L216 HydrophobicContact CG1-CD1 4.2Å; I129-L216 HydrophobicContact CG2-CD1 4.37Å; V148-L216 HydrophobicContact CG1-CD2 3.72Å; Y214-L216 HydrophobicContact CD1-CD2 4.49Å; Y214-L216 HydrophobicContact CE1-CD2 3.68Å; Y214-L216 HydrophobicContact CE1-CG 4.34Å; L216-I218 HydrophobicContact CB-CD1 4.24Å; L216-R237 WeakPolarHBondContact O-CA 3.41Å; L216-L238 HydrophobicContact CB-CB 4.3Å; L216-L238 PolarHBondContact N-O 2.97Å; L216-L238 PolarHBondContact O-N 2.65Å
217H96.4Very high86Confident14 Ų1445 Ų457%0.06523%0.233CC..EExtended strand (participates in β ladder)trans-102.5113.1175.9-50-87.4000109V146 R147 S149 E179 T215 Y219 R235V146-H217 CarbonylContact C-O 3.57Å; V146-H217 WeakPolarHBondContact CA-O 3.39Å; R147-H217 HydrophobicContact CB-CB 4.3Å; R147-H217 PolarHBondContact N-O 2.92Å; R147-H217 PolarHBondContact O-N 3.26Å; S149-H217 WeakPolarHBondContact CB-NE2 3.39Å; S149-H217 PolarHBondContact N-NE2 3.34Å; S149-H217 PolarHBondContact OG-NE2 3.33Å; E179-H217 IonicContact OE1-CD2 3.41Å; E179-H217 IonicContact OE1-CE1 3.82Å; E179-H217 IonicContact OE1-CG 3.76Å; E179-H217 IonicContact OE1-ND1 2.78Å; T215-H217 VanDerWaalsContact CG2-CE1 3.43Å; T215-H217 WeakPolarHBondContact CG2-CE1 3.41Å; H217-Y219 HydrophobicContact CB-CE2 4.21Å; H217-R235 PolarHBondContact ND1-NH2 2.88Å
218I96.3Very high85.5Confident1 Ų144.1 Ų44.11%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-112.4117.9-171.2-65.9143.2000108.6V87 I129 I133 F144 V146 L216 R235 S236V87-I218 HydrophobicContact CG1-CD1 3.33Å; I129-I218 HydrophobicContact CD1-CD1 4.13Å; I129-I218 HydrophobicContact CG2-CD1 3.73Å; I129-I218 HydrophobicContact CG2-CG1 4.31Å; I133-I218 HydrophobicContact CD1-CG1 4.48Å; I133-I218 HydrophobicContact CD1-CG2 4.14Å; F144-I218 HydrophobicContact CD1-CG2 4.16Å; V146-I218 HydrophobicContact CG1-CG1 4.34Å; V146-I218 HydrophobicContact CG2-CG1 4.17Å; L216-I218 HydrophobicContact CB-CD1 4.24Å; I218-R235 CarbonylContact O-C 3.57Å; I218-R235 WeakPolarHBondContact O-CA 3.47Å; I218-S236 PolarHBondContact N-O 3.41Å; I218-S236 PolarHBondContact O-N 3.08Å; I218-S236 PolarHBondContact O-OG 3.44Å
219Y95.1Very high84.7Confident41 Ų4143.5 Ų43.516%0.16125%0.25CC..EExtended strand (participates in β ladder)trans-103120.2177.6-64.3-107.2000108.4F144 T145 R147 E179 H217 Y221 G234 R235F144-Y219 CarbonylContact C-O 3.5Å; F144-Y219 VanDerWaalsContact CA-O 3.31Å; F144-Y219 WeakPolarHBondContact CA-O 3.49Å; T145-Y219 HydrophobicContact CG2-CD2 4.23Å; T145-Y219 PolarHBondContact N-O 3.35Å; T145-Y219 PolarHBondContact O-N 2.77Å; R147-Y219 HydrophobicContact CG-CE2 4.07Å; E179-Y219 PolarHBondContact OE2-OH 3.19Å; H217-Y219 HydrophobicContact CB-CE2 4.21Å; Y219-Y221 WeakPolarHBondContact CD1-OH 3.36Å; Y219-G234 WeakPolarHBondContact CA-O 3.33Å; Y219-R235 HydrophobicContact CD1-CB 4.1Å; Y219-R235 HydrophobicContact CE1-CB 4.24Å; Y219-R235 HydrophobicContact CE1-CG 4.35Å; Y219-R235 PolarHBondContact OH-NH1 2.92Å
220Q92.7Very high84.2Confident25 Ų2544.6 Ų44.612%0.11726%0.262CS..EExtended strand (participates in β ladder)trans-112.9135.9176-176.5-176.2-7.300110.3L88 S142 F144 G233 G234L88-Q220 PolarHBondContact O-OE1 3.23Å; S142-Q220 PolarHBondContact OG-NE2 2.91Å; S142-Q220 VanDerWaalsContact OG-NE2 3.08Å; F144-Q220 HydrophobicContact CD1-CB 3.93Å; F144-Q220 HydrophobicContact CD1-CG 4.05Å; F144-Q220 HydrophobicContact CE1-CB 3.65Å; F144-Q220 HydrophobicContact CE1-CG 3.46Å; F144-Q220 VanDerWaalsContact CE1-CG 3.46Å; F144-Q220 HydrophobicContact CZ-CB 4.43Å; F144-Q220 HydrophobicContact CZ-CG 3.73Å; Q220-G233 CarbonylContact O-C 3.52Å; Q220-G233 WeakPolarHBondContact O-CA 3.33Å; Q220-G234 PolarHBondContact N-O 2.88Å; Q220-G234 PolarHBondContact O-N 3.05Å
221Y89.3Confident83.4Confident108 Ų10849.3 Ų49.342%0.42429%0.291SS..EExtended strand (participates in β ladder)trans-134.3131.6172.7-52.6-83.1000110.1S142 R143 Y219 V231S142-Y221 CarbonylContact C-O 3.53Å; S142-Y221 WeakPolarHBondContact CA-O 3.1Å; R143-Y221 PolarHBondContact N-O 2.91Å; R143-Y221 PolarHBondContact O-N 2.99Å; Y219-Y221 WeakPolarHBondContact CD1-OH 3.36Å; Y221-V231 HydrophobicContact CD1-CG1 4.2Å
222H84.5Confident82.8Confident78 Ų7850.6 Ų50.636%0.36130%0.302SS..EExtended strand (participates in β ladder)trans-132.6150.4166.269.9-61.8000110.1V231 A232H222-V231 CarbonylContact O-C 3.59Å; H222-V231 WeakPolarHBondContact O-CA 3.22Å; H222-A232 WeakPolarHBondContact CE1-CB 3.44Å; H222-A232 PolarHBondContact N-O 3.32Å; H222-A232 PolarHBondContact ND1-O 3.15Å; H222-A232 PolarHBondContact O-N 3.13Å; H222-A232 VanDerWaalsContact O-O 3.07Å
223V78.7Confident82.3Confident107 Ų10753.2 Ų53.265%0.64833%0.329SS*.EExtended strand (participates in β ladder)trans-89128.2173.1-176.80000107.2Q225V223-Q225 PolarHBondContact O-N 3.06Å
224N74.2Confident82Confident32 Ų3254.7 Ų54.717%0.17135%0.345CS..  trans-64.2124.9175-73.125000109.7D226 G230 A232N224-D226 VanDerWaalsContact CB-OD1 3.29Å; N224-D226 WeakPolarHBondContact CB-OD1 3.31Å; N224-D226 PolarHBondContact ND2-OD2 2.88Å; N224-D226 PolarHBondContact O-N 3.38Å; N224-G230 PolarHBondContact N-O 2.62Å; N224-A232 WeakPolarHBondContact OD1-CB 3.45Å
225Q72.3Confident81.9Confident192 Ų19258.6 Ų58.690%0.89736%0.36SS*.SBendtrans-78.9-10.4175.4-61.6-177.56.400112.5V223 G227V223-Q225 PolarHBondContact O-N 3.06Å; Q225-G227 PolarHBondContact O-N 3.21Å
226D69.6Low81.8Confident86 Ų8658.8 Ų58.846%0.4636%0.361SS..SBendtrans-64.56.3-179.466.716.8000116.1N224 T228N224-D226 VanDerWaalsContact CB-OD1 3.29Å; N224-D226 WeakPolarHBondContact CB-OD1 3.31Å; N224-D226 PolarHBondContact ND2-OD2 2.88Å; N224-D226 PolarHBondContact O-N 3.38Å; D226-T228 HydrophobicContact CB-CG2 4.37Å; D226-T228 VanDerWaalsContact CG-OG1 3.26Å; D226-T228 PolarHBondContact O-N 3.46Å; D226-T228 WeakPolarHBondContact OD1-CA 3.45Å; D226-T228 WeakPolarHBondContact OD1-CB 3.36Å; D226-T228 VanDerWaalsContact OD1-CG2 3.31Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.31Å; D226-T228 PolarHBondContact OD1-N 3.15Å; D226-T228 PolarHBondContact OD1-OG1 2.75Å; D226-T228 PolarHBondContact OD2-OG1 3.45Å
227G66.4Low81.7Confident73 Ų7361 Ų6175%0.75337%0.37SS*.SBendtrans69.8-6.8-177.600000115.5Q225 G229Q225-G227 PolarHBondContact O-N 3.21Å; G227-G229 PolarHBondContact O-N 3.24Å
228T68.5Low81.8Confident86 Ų8660.3 Ų60.353%0.52837%0.367SS..SBendtrans-70.6-16-177.369.40000113.3D226 W1092D226-T228 HydrophobicContact CB-CG2 4.37Å; D226-T228 VanDerWaalsContact CG-OG1 3.26Å; D226-T228 PolarHBondContact O-N 3.46Å; D226-T228 WeakPolarHBondContact OD1-CA 3.45Å; D226-T228 WeakPolarHBondContact OD1-CB 3.36Å; D226-T228 VanDerWaalsContact OD1-CG2 3.31Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.31Å; D226-T228 PolarHBondContact OD1-N 3.15Å; D226-T228 PolarHBondContact OD1-OG1 2.75Å; D226-T228 PolarHBondContact OD2-OG1 3.45Å; T228-W1092 HydrophobicContact CG2-CH2 4.26Å
229G61.7Low81.8Confident57 Ų5760.5 Ų60.559%0.58837%0.367SS*.  trans76.538.6171.700000114.4G227G227-G229 PolarHBondContact O-N 3.24Å
230G68.9Low81.9Confident28 Ų2858.5 Ų58.529%0.28936%0.36SS..  trans-105.8148.1171.800000113.5N224N224-G230 PolarHBondContact N-O 2.62Å
231V71.4Confident82Confident100 Ų10057.4 Ų57.461%0.60635%0.354SS*.EExtended strand (participates in β ladder)trans-91.7111.2156.21790000106.6Y221 H222Y221-V231 HydrophobicContact CD1-CG1 4.2Å; H222-V231 CarbonylContact O-C 3.59Å; H222-V231 WeakPolarHBondContact O-CA 3.22Å
232A77Confident82.1Confident31 Ų3152.4 Ų52.426%0.25634%0.335SS..EExtended strand (participates in β ladder)trans-91135.3170.700000109.4H222 N224H222-A232 WeakPolarHBondContact CE1-CB 3.44Å; H222-A232 PolarHBondContact N-O 3.32Å; H222-A232 PolarHBondContact ND1-O 3.15Å; H222-A232 PolarHBondContact O-N 3.13Å; H222-A232 VanDerWaalsContact O-O 3.07Å; N224-A232 WeakPolarHBondContact OD1-CB 3.45Å
233G81.2Confident82.4Confident55 Ų5548.7 Ų48.757%0.56732%0.318SS*.EExtended strand (participates in β ladder)trans179178-172.100000112.2Q220Q220-G233 CarbonylContact O-C 3.52Å; Q220-G233 WeakPolarHBondContact O-CA 3.33Å
234G89.1Confident82.6Confident35 Ų3543.9 Ų43.936%0.36129%0.289SS..EExtended strand (participates in β ladder)trans-176.1175.4-17700000112.1Y219 Q220Y219-G234 WeakPolarHBondContact CA-O 3.33Å; Q220-G234 PolarHBondContact N-O 2.88Å; Q220-G234 PolarHBondContact O-N 3.05Å
235R92.4Very high82.8Confident82 Ų8242.4 Ų42.431%0.30928%0.282SS..EExtended strand (participates in β ladder)trans-112.9122.2171167.9-179.9157.9125.8-12.6108E179 H217 I218 Y219E179-R235 IonicContact OE1-CZ 3.61Å; E179-R235 IonicContact OE1-NH1 3.18Å; E179-R235 PolarHBondContact OE1-NH1 3.27Å; E179-R235 IonicContact OE1-NH2 2.81Å; E179-R235 PolarHBondContact OE1-NH2 2.94Å; E179-R235 IonicContact OE2-CZ 3.66Å; E179-R235 IonicContact OE2-NH1 3.91Å; E179-R235 PolarHBondContact OE2-NH1 2.86Å; H217-R235 PolarHBondContact ND1-NH2 2.88Å; I218-R235 CarbonylContact O-C 3.57Å; I218-R235 WeakPolarHBondContact O-CA 3.47Å; Y219-R235 HydrophobicContact CD1-CB 4.1Å; Y219-R235 HydrophobicContact CE1-CB 4.24Å; Y219-R235 HydrophobicContact CE1-CG 4.35Å; Y219-R235 PolarHBondContact OH-NH1 2.92Å
236S95.3Very high82.5Confident3 Ų333.4 Ų33.42%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-106156.9164.746.20000110.3V87 E91 I218V87-S236 VanDerWaalsContact O-CB 3.26Å; V87-S236 WeakPolarHBondContact O-CB 3.46Å; V87-S236 PolarHBondContact O-OG 2.89Å; E91-S236 WeakPolarHBondContact O-CB 3.38Å; I218-S236 PolarHBondContact N-O 3.41Å; I218-S236 PolarHBondContact O-N 3.08Å; I218-S236 PolarHBondContact O-OG 3.44Å
237R95.7Very high82.6Confident47 Ų4730.5 Ų30.518%0.17722%0.224CC..EExtended strand (participates in β ladder)trans-129.3131178.9-58.7177.1-70.2161.37109.8D92 A93 T215 L216 H239D92-R237 WeakPolarHBondContact CA-O 3.47Å; D92-R237 WeakPolarHBondContact OD1-CB 3.1Å; D92-R237 PolarHBondContact OD1-N 3.19Å; D92-R237 IonicContact OD1-NE 2.76Å; D92-R237 PolarHBondContact OD1-NE 2.93Å; D92-R237 IonicContact OD2-CZ 2.68Å; D92-R237 VanDerWaalsContact OD2-CZ 3.3Å; D92-R237 IonicContact OD2-NE 2.78Å; D92-R237 PolarHBondContact OD2-NE 3.05Å; D92-R237 IonicContact OD2-NH2 2.81Å; D92-R237 PolarHBondContact OD2-NH2 3.23Å; A93-R237 PolarHBondContact N-O 3.27Å; T215-R237 HydrophobicContact CG2-CB 4.2Å; L216-R237 WeakPolarHBondContact O-CA 3.41Å; R237-H239 PolarHBondContact NH1-NE2 3.4Å
238L97.4Very high82.5Confident0 Ų034.9 Ų34.90%022%0.223CC..EExtended strand (participates in β ladder)trans-101.9104164.3176.747.6000108.5V83 V87 V95 A125 I129 T215 L216 L240V83-L238 HydrophobicContact CG1-CD1 3.33Å; V83-L238 HydrophobicContact CG1-CD2 4.38Å; V83-L238 HydrophobicContact CG1-CG 4.5Å; V87-L238 HydrophobicContact CG1-CB 4.36Å; V87-L238 HydrophobicContact CG2-CB 3.97Å; V87-L238 HydrophobicContact CG2-CD1 4.46Å; V95-L238 HydrophobicContact CG2-CD1 4.43Å; A125-L238 HydrophobicContact CB-CD2 4.17Å; I129-L238 HydrophobicContact CD1-CD2 4.29Å; I129-L238 HydrophobicContact CG1-CD2 4.04Å; T215-L238 WeakPolarHBondContact CA-O 3.43Å; L216-L238 HydrophobicContact CB-CB 4.3Å; L216-L238 PolarHBondContact N-O 2.97Å; L216-L238 PolarHBondContact O-N 2.65Å; L238-L240 HydrophobicContact CD1-CD2 3.82Å; L238-L240 HydrophobicContact CD1-CG 4.45Å; L238-L240 HydrophobicContact CD2-CD2 4.36Å; L238-L240 HydrophobicContact CG-CD2 3.94Å; L238-L240 HydrophobicContact CG-CG 4.14Å
239H96.6Very high82.1Confident4 Ų432.4 Ų32.42%0.01921%0.208CC..EExtended strand (participates in β ladder)trans-88.5119.2175.5-66.3-67000110.5A93 C94 V95 T215 R237 I241A93-H239 PolarHBondContact O-N 2.81Å; C94-H239 CarbonylContact C-O 3.55Å; C94-H239 VanDerWaalsContact CA-O 3.23Å; C94-H239 WeakPolarHBondContact CA-O 3.14Å; C94-H239 HydrophobicContact CB-CB 4.22Å; C94-H239 PolarHBondContact SG-O 3.45Å; C94-H239 VanDerWaalsContact SG-O 3.37Å; V95-H239 PolarHBondContact N-O 2.92Å; T215-H239 VanDerWaalsContact CG2-ND1 3.29Å; T215-H239 WeakPolarHBondContact CG2-ND1 3.43Å; T215-H239 PolarHBondContact OG1-ND1 2.92Å; R237-H239 PolarHBondContact NH1-NE2 3.4Å; H239-I241 HydrophobicContact CB-CD1 4.42Å; H239-I241 HydrophobicContact CB-CG1 4.46Å
240L96.6Very high81.9Confident0 Ų035.4 Ų35.40%022%0.216CC..EExtended strand (participates in β ladder)trans-110.1102.4175.2-55.1172.9000107.2V95 F109 V121 I122 A125 V213 Y214 L238V95-L240 HydrophobicContact CB-CD2 3.79Å; V95-L240 HydrophobicContact CG2-CD2 3.68Å; F109-L240 HydrophobicContact CE1-CB 4.14Å; V121-L240 HydrophobicContact CG1-CD2 4.45Å; I122-L240 HydrophobicContact CB-CD1 4.2Å; I122-L240 HydrophobicContact CG1-CB 4.17Å; I122-L240 HydrophobicContact CG1-CD1 3.98Å; I122-L240 HydrophobicContact CG2-CD1 3.93Å; A125-L240 HydrophobicContact CB-CD1 3.84Å; V213-L240 WeakPolarHBondContact CA-O 3.18Å; Y214-L240 HydrophobicContact CD1-CD1 4.49Å; Y214-L240 PolarHBondContact N-O 2.81Å; Y214-L240 WeakPolarHBondContact O-CA 3.44Å; Y214-L240 WeakPolarHBondContact O-CB 3.38Å; Y214-L240 PolarHBondContact O-N 2.83Å; L238-L240 HydrophobicContact CD1-CD2 3.82Å; L238-L240 HydrophobicContact CD1-CG 4.45Å; L238-L240 HydrophobicContact CD2-CD2 4.36Å; L238-L240 HydrophobicContact CG-CD2 3.94Å; L238-L240 HydrophobicContact CG-CG 4.14Å
241I94.7Very high81.4Confident1 Ų139.9 Ų39.91%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-111.2117.7-174-62.7172.1000109.5V95 L96 S97 F109 F212 V213 H239 L243 L286 L287 T290V95-I241 PolarHBondContact O-N 3.28Å; L96-I241 CarbonylContact C-O 3.51Å; L96-I241 VanDerWaalsContact CA-O 3.27Å; L96-I241 WeakPolarHBondContact CA-O 3.4Å; L96-I241 HydrophobicContact CD2-CB 3.74Å; L96-I241 HydrophobicContact CD2-CD1 4.13Å; L96-I241 HydrophobicContact CD2-CG2 3.72Å; S97-I241 PolarHBondContact N-O 3.43Å; F109-I241 VanDerWaalsContact CE1-C 3.49Å; F109-I241 VanDerWaalsContact CE1-O 3.31Å; F109-I241 WeakPolarHBondContact CE1-O 3.47Å; F212-I241 WeakPolarHBondContact O-CA 3.48Å; V213-I241 HydrophobicContact CB-CG1 4.32Å; V213-I241 HydrophobicContact CG1-CD1 4.49Å; V213-I241 HydrophobicContact CG1-CG1 3.7Å; V213-I241 HydrophobicContact CG2-CB 4.39Å; V213-I241 HydrophobicContact CG2-CG1 3.92Å; V213-I241 HydrophobicContact CG2-CG2 4.14Å; H239-I241 HydrophobicContact CB-CD1 4.42Å; H239-I241 HydrophobicContact CB-CG1 4.46Å; I241-L243 HydrophobicContact CG2-CD2 3.59Å; I241-L243 HydrophobicContact CG2-CG 4.01Å; I241-L286 HydrophobicContact CD1-CD2 4.13Å; I241-L287 HydrophobicContact CD1-CD2 4.21Å; I241-L287 HydrophobicContact CG2-CD2 4.47Å; I241-T290 HydrophobicContact CD1-CG2 4.27Å
242D92.3Very high80.6Confident4 Ų444.7 Ų44.72%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-98.2120.6166.2-177.122.3000109.8S97 N107 F109 H211 F212 G244S97-D242 VanDerWaalsContact CB-OD1 3.27Å; S97-D242 WeakPolarHBondContact CB-OD1 3.47Å; S97-D242 PolarHBondContact OG-OD1 3.22Å; N107-D242 PolarHBondContact ND2-OD2 3.09Å; F109-D242 HydrophobicContact CD1-CB 3.97Å; F109-D242 HydrophobicContact CG-CB 4.34Å; H211-D242 CarbonylContact C-O 3.6Å; H211-D242 WeakPolarHBondContact CA-O 2.92Å; F212-D242 HydrophobicContact CB-CB 4.46Å; F212-D242 PolarHBondContact N-O 3.36Å; F212-D242 PolarHBondContact O-N 2.58Å; D242-G244 PolarHBondContact OD1-N 3.43Å
243L90Very high79.4Confident0 Ų047 Ų470%027%0.27CS..  trans-91.8-5.5-178.1-59.1169.9000112.9L96 S97 F98 H211 I241 I262 L266 L283 L287L96-L243 HydrophobicContact CD2-CD1 4.02Å; L96-L243 HydrophobicContact CD2-CG 4.41Å; S97-L243 VanDerWaalsContact O-CB 3.22Å; S97-L243 WeakPolarHBondContact O-CB 3.15Å; S97-L243 WeakPolarHBondContact O-CG 3.46Å; S97-L243 PolarHBondContact O-N 3.24Å; S97-L243 VanDerWaalsContact O-N 3.08Å; F98-L243 HydrophobicContact CB-CD1 4.39Å; F98-L243 HydrophobicContact CD2-CD1 4.23Å; H211-L243 PolarHBondContact CE1-O 2.77Å; H211-L243 VanDerWaalsContact CE1-O 3.31Å; H211-L243 PolarHBondContact ND1-O 2.73Å; I241-L243 HydrophobicContact CG2-CD2 3.59Å; I241-L243 HydrophobicContact CG2-CG 4.01Å; L243-I262 HydrophobicContact CD1-CG2 3.82Å; L243-L266 HydrophobicContact CD1-CD1 3.94Å; L243-L283 HydrophobicContact CD2-CD1 3.99Å; L243-L287 HydrophobicContact CD2-CD2 4.28Å
244G83.6Confident78.2Confident5 Ų546.8 Ų46.85%0.05225%0.252CS..  trans65.9-168.3-17700000113.6D242D242-G244 PolarHBondContact OD1-N 3.43Å
245S77.6Confident76.7Confident1 Ų148.5 Ų48.51%0.00726%0.255CS..  trans-71.4-34-175.2-145.20000112.3G99 R208 E247 Q259G99-S245 WeakPolarHBondContact O-CA 3.47Å; R208-S245 PolarHBondContact O-N 3.43Å; R208-S245 VanDerWaalsContact O-N 3.09Å; S245-E247 PolarHBondContact O-N 2.91Å; S245-E247 PolarHBondContact OG-OE1 2.86Å; S245-Q259 PolarHBondContact O-OE1 2.91Å
246G66.2Low75.5Confident3 Ų345.3 Ų45.33%0.03125%0.245CC..  trans63.224.9-179.100000113.6R208 N209 T258 Q259R208-G246 PolarHBondContact O-N 3.36Å; N209-G246 WeakPolarHBondContact OD1-CA 3.3Å; G246-T258 CarbonylContact O-C 3.57Å; G246-T258 WeakPolarHBondContact O-CA 3.33Å; G246-Q259 PolarHBondContact O-N 3.15Å
247E71.7Confident74.4Confident26 Ų2645.9 Ų45.912%0.12125%0.248CC..  trans-60.5155.8-178.4-75167.6-158.700111.6R208 N209 S245 C249 R311R208-E247 VanDerWaalsContact CD-OE2 3.32Å; R208-E247 WeakPolarHBondContact CD-OE2 3.22Å; R208-E247 IonicContact CZ-OE2 2.74Å; R208-E247 IonicContact NE-OE1 3.27Å; R208-E247 IonicContact NE-OE2 2.69Å; R208-E247 PolarHBondContact NE-OE2 3.37Å; R208-E247 IonicContact NH2-OE2 3.95Å; N209-E247 PolarHBondContact OD1-N 2.95Å; N209-E247 PolarHBondContact OD1-O 2.67Å; S245-E247 PolarHBondContact O-N 2.91Å; S245-E247 PolarHBondContact OG-OE1 2.86Å; E247-C249 PolarHBondContact O-N 2.88Å; E247-R311 IonicContact OE1-CZ 2.74Å; E247-R311 IonicContact OE1-NH1 3.47Å; E247-R311 PolarHBondContact OE1-NH1 2.87Å; E247-R311 IonicContact OE1-NH2 3.91Å
248K64.9Low73.6Confident165 Ų16546.2 Ų46.272%0.71726%0.256SS*.  trans-60.4115.6179.9-68.1179.9-177.5174.80110.6T250K248-T250 PolarHBondContact O-N 3.48Å
249C59.3Low72.8Confident34 Ų3446.6 Ų46.623%0.2326%0.258CS..  trans-60.2133.5169.2-178.60000110.2E205 E247 K251 R254E205-C249 VanDerWaalsContact CD-SG 3.57Å; E205-C249 PolarHBondContact OE1-SG 2.99Å; E247-C249 PolarHBondContact O-N 2.88Å; C249-K251 VanDerWaalsContact C-N 3.31Å; C249-K251 PolarHBondContact SG-N 3.12Å; C249-R254 VanDerWaalsContact SG-CD 3.59Å
250T58.4Low72.3Confident120 Ų12048.9 Ų48.974%0.73627%0.272SS*.SBendtrans-77.5-17-178.359.30000113.3E205 K248E205-T250 PolarHBondContact OE1-N 3.49Å; E205-T250 PolarHBondContact OE1-OG1 3Å; K248-T250 PolarHBondContact O-N 3.48Å
251K59.1Low71.8Confident121 Ų12150.1 Ų50.153%0.52628%0.283SS..SBendtrans-106.2130.7-174.1-62.9165-167.5138.50110.4E205 C249E205-K251 IonicContact OE2-NZ 3.49Å; E205-K251 PolarHBondContact OE2-NZ 3.18Å; C249-K251 VanDerWaalsContact C-N 3.31Å; C249-K251 PolarHBondContact SG-N 3.12Å
252Q53.3Low71.4Confident202 Ų20250.1 Ų50.194%0.94428%0.283SS*.THydrogen-bonded Turntrans-63.8142.8172.3-64.1-179.9-3.800110.4
253G52.1Low71.3Confident80 Ų8049.9 Ų49.983%0.82528%0.282SS*.THydrogen-bonded Turntrans95.53.6170.800000117.5
254R55.7Low71.2Confident50 Ų5052.6 Ų52.619%0.18930%0.296CS..  trans-84.9140.5171.6-70.3-172.752.8-161.50.5111.8G155 E205 C249G155-R254 PolarHBondContact O-NE 2.95Å; G155-R254 PolarHBondContact O-NH2 3.18Å; E205-R254 IonicContact OE2-NH1 2.77Å; E205-R254 PolarHBondContact OE2-NH1 3.21Å; C249-R254 VanDerWaalsContact SG-CD 3.59Å
255T58.1Low71.6Confident70 Ų7052.3 Ų52.343%0.42929%0.293SS..  trans-83.6-15.7-178.254.80000114.2S156 L257S156-T255 PolarHBondContact O-N 2.89Å; S156-T255 VanDerWaalsContact O-N 3.11Å; S156-T255 PolarHBondContact O-OG1 3.47Å; T255-L257 PolarHBondContact O-N 3.48Å
256S66.2Low72.2Confident15 Ų1552.3 Ų52.311%0.10529%0.293CS..PPolyproline II helixtrans-51.4118.4178.753.20000112.1
257L73.2Confident73.4Confident16 Ų1652.5 Ų52.58%0.08429%0.293CS..PPolyproline II helixtrans-70.1133-176-62.5-174.3000111.9T255 A261 I262 V265 L283 T284T255-L257 PolarHBondContact O-N 3.48Å; L257-A261 HydrophobicContact CB-CB 4.17Å; L257-A261 HydrophobicContact CD2-CB 4.38Å; L257-I262 HydrophobicContact CB-CD1 4.32Å; L257-I262 HydrophobicContact CB-CG1 3.58Å; L257-I262 WeakPolarHBondContact O-CD1 3.4Å; L257-V265 HydrophobicContact CD1-CG2 4.19Å; L257-L283 HydrophobicContact CD1-CD2 4.49Å; L257-T284 WeakPolarHBondContact CD1-OG1 3.32Å
258T79.4Confident74.3Confident53 Ų5352 Ų5233%0.32529%0.292SS..PPolyproline II helixtrans-69.6157.3173.258.30000111.6G246 P260 A261 I262G246-T258 CarbonylContact O-C 3.57Å; G246-T258 WeakPolarHBondContact O-CA 3.33Å; T258-P260 VanDerWaalsContact C-N 3.32Å; T258-P260 VanDerWaalsContact O-N 3.16Å; T258-A261 WeakPolarHBondContact O-CA 2.99Å; T258-A261 WeakPolarHBondContact O-CB 3.28Å; T258-A261 PolarHBondContact O-N 2.81Å; T258-I262 PolarHBondContact O-N 3.36Å
259Q80.9Confident75.5Confident9 Ų944.5 Ų44.54%0.04226%0.26CS..Hα-helixtrans-45.8-45.9179.5-175.7-169.5-95.500113F98 S245 G246 G263 E314 V318F98-Q259 HydrophobicContact CE1-CG 4.08Å; F98-Q259 HydrophobicContact CE2-CB 4.42Å; F98-Q259 HydrophobicContact CE2-CG 3.65Å; F98-Q259 WeakPolarHBondContact CE2-O 3.36Å; F98-Q259 HydrophobicContact CZ-CB 4.4Å; F98-Q259 HydrophobicContact CZ-CG 3.33Å; F98-Q259 VanDerWaalsContact CZ-O 3.28Å; F98-Q259 WeakPolarHBondContact CZ-O 3.4Å; S245-Q259 PolarHBondContact O-OE1 2.91Å; G246-Q259 PolarHBondContact O-N 3.15Å; Q259-G263 PolarHBondContact O-N 3.48Å; Q259-E314 PolarHBondContact NE2-O 3.05Å; Q259-E314 VanDerWaalsContact NE2-O 3.08Å; Q259-V318 VanDerWaalsContact CD-CG2 3.45Å; Q259-V318 HydrophobicContact CG-CG2 4.46Å
260P84.3Confident76.9Confident51 Ų5142.9 Ų42.933%0.33125%0.249SC..Hα-helixtrans-66.4-34.7174.4-21.235.3000114.9T258 G263 N264T258-P260 VanDerWaalsContact C-N 3.32Å; T258-P260 VanDerWaalsContact O-N 3.16Å; P260-G263 PolarHBondContact O-N 2.82Å; P260-N264 PolarHBondContact O-N 2.91Å; P260-N264 PolarHBondContact O-ND2 3.48Å
261A86.2Confident78.3Confident26 Ų2641.6 Ų41.622%0.21524%0.235CC..Hα-helixtrans-69.4-44.9177.500000111.2L257 T258 G263 N264 V265L257-A261 HydrophobicContact CB-CB 4.17Å; L257-A261 HydrophobicContact CD2-CB 4.38Å; T258-A261 WeakPolarHBondContact O-CA 2.99Å; T258-A261 WeakPolarHBondContact O-CB 3.28Å; T258-A261 PolarHBondContact O-N 2.81Å; A261-G263 VanDerWaalsContact C-N 3.32Å; A261-G263 PolarHBondContact O-N 2.95Å; A261-N264 PolarHBondContact O-N 3.36Å; A261-V265 WeakPolarHBondContact O-CG2 3.48Å; A261-V265 PolarHBondContact O-N 3.1Å
262I87.7Confident79.4Confident1 Ų137.9 Ų37.91%0.00523%0.231CC..Hα-helixtrans-56.2-47.7171.5-65.1178.2000110.1F98 L243 L257 T258 N264 V265 L266 L283F98-I262 HydrophobicContact CD2-CG2 3.97Å; F98-I262 HydrophobicContact CE2-CB 4.03Å; F98-I262 HydrophobicContact CE2-CG2 3.75Å; L243-I262 HydrophobicContact CD1-CG2 3.82Å; L257-I262 HydrophobicContact CB-CD1 4.32Å; L257-I262 HydrophobicContact CB-CG1 3.58Å; L257-I262 WeakPolarHBondContact O-CD1 3.4Å; T258-I262 PolarHBondContact O-N 3.36Å; I262-N264 PolarHBondContact O-N 3.44Å; I262-V265 PolarHBondContact O-N 3.01Å; I262-L266 HydrophobicContact CG2-CD1 4.12Å; I262-L266 HydrophobicContact CG2-CG 4.43Å; I262-L266 WeakPolarHBondContact O-CG 3.49Å; I262-L266 PolarHBondContact O-N 2.77Å; I262-L283 HydrophobicContact CD1-CD2 3.9Å; I262-L283 HydrophobicContact CG1-CD2 3.92Å
263G89.4Confident80.8Confident0 Ų032.9 Ų32.90%021%0.207CC..Hα-helixtrans-57.1-44.4176.500000113.5Q259 P260 A261 L266 L267Q259-G263 PolarHBondContact O-N 3.48Å; P260-G263 PolarHBondContact O-N 2.82Å; A261-G263 VanDerWaalsContact C-N 3.32Å; A261-G263 PolarHBondContact O-N 2.95Å; G263-L266 PolarHBondContact O-N 2.77Å; G263-L267 WeakPolarHBondContact O-CB 3.33Å; G263-L267 WeakPolarHBondContact O-CD1 3.21Å; G263-L267 WeakPolarHBondContact O-CG 3.25Å; G263-L267 PolarHBondContact O-N 2.86Å
264N89.1Confident82.1Confident56 Ų5635.2 Ų35.230%0.29920%0.195SC..Hα-helixtrans-69.1-34.1176.8-76.4-31.2000112.9P260 A261 I262 T268 R324P260-N264 PolarHBondContact O-N 2.91Å; P260-N264 PolarHBondContact O-ND2 3.48Å; A261-N264 PolarHBondContact O-N 3.36Å; I262-N264 PolarHBondContact O-N 3.44Å; N264-T268 WeakPolarHBondContact O-CB 3.32Å; N264-T268 PolarHBondContact O-N 3.02Å; N264-T268 PolarHBondContact O-OG1 3.38Å; N264-R324 PolarHBondContact OD1-NH1 3.44Å
265V90.9Very high83.4Confident0 Ų039.7 Ų39.70%022%0.218CC..Hα-helixtrans-63.6-49.4171.2167.90000110.7L257 A261 I262 L267 T268 L269 V276 P277 T284 L287L257-V265 HydrophobicContact CD1-CG2 4.19Å; A261-V265 WeakPolarHBondContact O-CG2 3.48Å; A261-V265 PolarHBondContact O-N 3.1Å; I262-V265 PolarHBondContact O-N 3.01Å; V265-L267 PolarHBondContact O-N 3Å; V265-T268 PolarHBondContact O-N 2.77Å; V265-T268 VanDerWaalsContact O-N 3.16Å; V265-L269 HydrophobicContact CG1-CD1 3.8Å; V265-L269 HydrophobicContact CG1-CG 4.39Å; V265-L269 WeakPolarHBondContact O-CG 3.37Å; V265-L269 PolarHBondContact O-N 2.75Å; V265-V276 HydrophobicContact CG1-CG1 4.14Å; V265-P277 HydrophobicContact CG2-CB 4.13Å; V265-T284 HydrophobicContact CG1-CG2 4.02Å; V265-T284 HydrophobicContact CG2-CG2 4.39Å; V265-L287 HydrophobicContact CG1-CD1 4.21Å
266L91Very high84.6Confident1 Ų136.9 Ų36.91%0.00520%0.2CC..Hα-helixtrans-58-49.4176.5-72174.6000111.7L96 L243 I262 G263 T268 L269 L270 L287 I291 L325L96-L266 HydrophobicContact CD1-CD2 4.23Å; L96-L266 HydrophobicContact CD2-CD2 4.45Å; L243-L266 HydrophobicContact CD1-CD1 3.94Å; I262-L266 HydrophobicContact CG2-CD1 4.12Å; I262-L266 HydrophobicContact CG2-CG 4.43Å; I262-L266 WeakPolarHBondContact O-CG 3.49Å; I262-L266 PolarHBondContact O-N 2.77Å; G263-L266 PolarHBondContact O-N 2.77Å; L266-T268 VanDerWaalsContact C-N 3.26Å; L266-T268 PolarHBondContact O-N 3.46Å; L266-L269 PolarHBondContact O-N 3.48Å; L266-L270 HydrophobicContact CB-CD1 4.43Å; L266-L270 WeakPolarHBondContact O-CB 3.36Å; L266-L270 WeakPolarHBondContact O-CD1 3.16Å; L266-L270 VanDerWaalsContact O-CG 3.25Å; L266-L270 WeakPolarHBondContact O-CG 3.22Å; L266-L270 PolarHBondContact O-N 3.34Å; L266-L287 HydrophobicContact CD2-CD1 4.14Å; L266-L287 HydrophobicContact CD2-CD2 4.23Å; L266-I291 HydrophobicContact CD2-CD1 3.81Å; L266-L325 HydrophobicContact CB-CD2 4.39Å
267L91.3Very high85.1Confident6 Ų638.2 Ų38.23%0.03121%0.208CC..Hα-helixtrans-54.6-42.7175.5-75.7164.9000111.8G263 V265 Q271 R324 L325 L328G263-L267 WeakPolarHBondContact O-CB 3.33Å; G263-L267 WeakPolarHBondContact O-CD1 3.21Å; G263-L267 WeakPolarHBondContact O-CG 3.25Å; G263-L267 PolarHBondContact O-N 2.86Å; V265-L267 PolarHBondContact O-N 3Å; L267-Q271 WeakPolarHBondContact O-CB 3.24Å; L267-Q271 WeakPolarHBondContact O-CG 3.45Å; L267-Q271 PolarHBondContact O-N 3.17Å; L267-R324 HydrophobicContact CD1-CB 4.08Å; L267-R324 VanDerWaalsContact CD1-CZ 3.49Å; L267-R324 VanDerWaalsContact CD1-NH1 3.27Å; L267-R324 HydrophobicContact CD2-CB 3.68Å; L267-L325 HydrophobicContact CD2-CB 4.48Å; L267-L325 HydrophobicContact CD2-CD2 3.71Å; L267-L325 HydrophobicContact CD2-CG 3.83Å; L267-L325 HydrophobicContact CG-CD2 4Å; L267-L325 HydrophobicContact CG-CG 4.25Å; L267-L328 HydrophobicContact CD2-CD1 4.03Å; L267-L328 HydrophobicContact CD2-CD2 4.28Å; L267-L328 HydrophobicContact CD2-CG 4.27Å
268T90.4Very high85.1Confident15 Ų1540 Ų409%0.09222%0.222CC..Hα-helixtrans-70.7-43.5-177.7-53.90000112.4N264 V265 L266 Q271 G272 Q273 H275 P277N264-T268 WeakPolarHBondContact O-CB 3.32Å; N264-T268 PolarHBondContact O-N 3.02Å; N264-T268 PolarHBondContact O-OG1 3.38Å; V265-T268 PolarHBondContact O-N 2.77Å; V265-T268 VanDerWaalsContact O-N 3.16Å; L266-T268 VanDerWaalsContact C-N 3.26Å; L266-T268 PolarHBondContact O-N 3.46Å; T268-Q271 PolarHBondContact O-N 2.87Å; T268-G272 PolarHBondContact O-N 3.28Å; T268-G272 VanDerWaalsContact O-N 3.08Å; T268-Q273 HydrophobicContact CG2-CB 3.7Å; T268-Q273 HydrophobicContact CG2-CG 3.96Å; T268-Q273 PolarHBondContact O-N 2.91Å; T268-H275 WeakPolarHBondContact CG2-O 3.25Å; T268-P277 WeakPolarHBondContact OG1-CD 3.47Å
269L90.1Very high84.8Confident8 Ų847.6 Ų47.64%0.04225%0.245CC..Hα-helixtrans-65.5-42.2175.4-69.3172.3000111.5V265 L266 Q271 G272 V276 L287 K288 R330V265-L269 HydrophobicContact CG1-CD1 3.8Å; V265-L269 HydrophobicContact CG1-CG 4.39Å; V265-L269 WeakPolarHBondContact O-CG 3.37Å; V265-L269 PolarHBondContact O-N 2.75Å; L266-L269 PolarHBondContact O-N 3.48Å; L269-Q271 VanDerWaalsContact C-N 3.34Å; L269-G272 WeakPolarHBondContact O-CA 3.37Å; L269-G272 PolarHBondContact O-N 3.22Å; L269-V276 HydrophobicContact CD2-CG1 4.09Å; L269-V276 HydrophobicContact CD2-CG2 3.84Å; L269-V276 HydrophobicContact CG-CG1 4.16Å; L269-L287 HydrophobicContact CD1-CB 3.64Å; L269-K288 HydrophobicContact CD2-CB 3.94Å; L269-K288 HydrophobicContact CD2-CG 4.01Å; L269-R330 PolarHBondContact O-NH2 3.3Å
270L88.8Confident84.5Confident1 Ų156.4 Ų56.41%0.00529%0.286CS..Hα-helixtrans-72.8-24.9178.5-69166.8000112.6F2 L4 L266 G272 I291 V299 L325 L328 R330F2-L270 HydrophobicContact CE1-CD2 3.94Å; F2-L270 HydrophobicContact CZ-CD2 3.52Å; L4-L270 HydrophobicContact CD1-CD1 4.02Å; L4-L270 HydrophobicContact CD1-CD2 4.2Å; L4-L270 HydrophobicContact CD2-CD1 4.16Å; L266-L270 HydrophobicContact CB-CD1 4.43Å; L266-L270 WeakPolarHBondContact O-CB 3.36Å; L266-L270 WeakPolarHBondContact O-CD1 3.16Å; L266-L270 VanDerWaalsContact O-CG 3.25Å; L266-L270 WeakPolarHBondContact O-CG 3.22Å; L266-L270 PolarHBondContact O-N 3.34Å; L270-G272 VanDerWaalsContact C-N 3.33Å; L270-I291 HydrophobicContact CD2-CG2 3.58Å; L270-I291 HydrophobicContact CG-CG2 4.15Å; L270-V299 HydrophobicContact CD2-CB 4.33Å; L270-V299 HydrophobicContact CD2-CG1 4.33Å; L270-V299 HydrophobicContact CD2-CG2 4.15Å; L270-L325 HydrophobicContact CD1-CD2 3.45Å; L270-L325 VanDerWaalsContact CD1-CD2 3.45Å; L270-L328 HydrophobicContact CB-CD1 3.55Å; L270-R330 WeakPolarHBondContact O-CD 3.48Å; L270-R330 WeakPolarHBondContact O-CG 3.4Å; L270-R330 PolarHBondContact O-NE 2.83Å
271Q86.7Confident84.5Confident92 Ų9254.3 Ų54.343%0.4327%0.273SS..Hα-helixtrans-75.3-20.6164.7-74.8172.94.500113.4L267 T268 L269 Q273 L328L267-Q271 WeakPolarHBondContact O-CB 3.24Å; L267-Q271 WeakPolarHBondContact O-CG 3.45Å; L267-Q271 PolarHBondContact O-N 3.17Å; T268-Q271 PolarHBondContact O-N 2.87Å; L269-Q271 VanDerWaalsContact C-N 3.34Å; Q271-Q273 HydrophobicContact CB-CG 4.09Å; Q271-L328 HydrophobicContact CG-CD1 4.12Å; Q271-L328 HydrophobicContact CG-CD2 3.64Å; Q271-L328 HydrophobicContact CG-CG 4.49Å
272G83.1Confident84.6Confident43 Ų4356.2 Ų56.244%0.44328%0.276SS..THydrogen-bonded Turntrans76.728.6-178.600000113.9T268 L269 L270T268-G272 PolarHBondContact O-N 3.28Å; T268-G272 VanDerWaalsContact O-N 3.08Å; L269-G272 WeakPolarHBondContact O-CA 3.37Å; L269-G272 PolarHBondContact O-N 3.22Å; L270-G272 VanDerWaalsContact C-N 3.33Å
273Q82.3Confident84.6Confident98 Ų9856.2 Ų56.246%0.45828%0.276SS..  trans-68.6151.3176.8-52.3-163.323.700111.7T268 Q271T268-Q273 HydrophobicContact CG2-CB 3.7Å; T268-Q273 HydrophobicContact CG2-CG 3.96Å; T268-Q273 PolarHBondContact O-N 2.91Å; Q271-Q273 HydrophobicContact CB-CG 4.09Å
274K80.1Confident84.5Confident129 Ų12956.4 Ų56.456%0.56128%0.277SS*.SBendtrans-75.5-34.2179.9-64.6-167.1-179.5-169.20113.3P335 F336K274-P335 WeakPolarHBondContact CE-O 3.29Å; K274-P335 PolarHBondContact NZ-O 2.91Å; K274-F336 HydrophobicContact CD-CE2 4.13Å
275H83.2Confident84.5Confident144 Ų14459.4 Ų59.467%0.66728%0.284SS*.SBendtrans-89.6138.6172.6-175.7-91.7000108.9T268T268-H275 WeakPolarHBondContact CG2-O 3.25Å
276V81.4Confident84.5Confident10 Ų1059.6 Ų59.66%0.06129%0.285CS..  trans-127.2130.4177.8-170.40000107.4V265 L269 T284V265-V276 HydrophobicContact CG1-CG1 4.14Å; L269-V276 HydrophobicContact CD2-CG1 4.09Å; L269-V276 HydrophobicContact CD2-CG2 3.84Å; L269-V276 HydrophobicContact CG-CG1 4.16Å; V276-T284 HydrophobicContact CB-CG2 4.43Å; V276-T284 HydrophobicContact CG1-CG2 3.66Å
277P78.1Confident84.5Confident43 Ų4359.6 Ų59.628%0.27929%0.285SS..THydrogen-bonded Turntrans-52.9154.7171.4-24.933.2000111.8V265 T268 R279 T284V265-P277 HydrophobicContact CG2-CB 4.13Å; T268-P277 WeakPolarHBondContact OG1-CD 3.47Å; P277-R279 VanDerWaalsContact C-N 3.27Å; P277-R279 PolarHBondContact O-N 2.91Å; P277-T284 WeakPolarHBondContact O-CG2 3.32Å
278S72.3Confident84.4Confident53 Ų5364.2 Ų64.237%0.37131%0.305SS..THydrogen-bonded Turntrans52.339.2173.8-54.10000114.7E280 S281 T284S278-E280 PolarHBondContact O-N 3.35Å; S278-S281 WeakPolarHBondContact O-CB 3.41Å; S278-S281 PolarHBondContact O-N 3.49Å; S278-T284 WeakPolarHBondContact O-CB 3.46Å; S278-T284 PolarHBondContact O-OG1 3.48Å
279R72.7Confident84.3Confident213 Ų21366.7 Ų66.780%0.80432%0.316SS*.THydrogen-bonded Turntrans-52.4-25.7-177.6177.9177.3173.1-168.2-4.7114.7P277P277-R279 VanDerWaalsContact C-N 3.27Å; P277-R279 PolarHBondContact O-N 2.91Å
280E74.6Confident84.1Confident194 Ų19466.7 Ų66.791%0.90732%0.316SS*.THydrogen-bonded Turntrans-76.5-20.6178.5-70.9160-158.700113.2S278S278-E280 PolarHBondContact O-N 3.35Å
281S85.4Confident84.1Confident7 Ų766.6 Ų66.65%0.04932%0.316CS..  trans-71132176.9146.10000111.4E158 S278 L283 T284 R285E158-S281 WeakPolarHBondContact OE1-CB 3.42Å; E158-S281 PolarHBondContact OE1-OG 2.92Å; E158-S281 WeakPolarHBondContact OE2-CA 3.44Å; E158-S281 WeakPolarHBondContact OE2-CB 3.48Å; E158-S281 PolarHBondContact OE2-OG 2.73Å; S278-S281 WeakPolarHBondContact O-CB 3.41Å; S278-S281 PolarHBondContact O-N 3.49Å; S281-L283 VanDerWaalsContact C-N 3.29Å; S281-L283 PolarHBondContact O-N 3.21Å; S281-L283 WeakPolarHBondContact OG-CB 3.49Å; S281-L283 PolarHBondContact OG-N 2.92Å; S281-T284 WeakPolarHBondContact O-CB 3.41Å; S281-T284 PolarHBondContact O-N 2.9Å; S281-T284 VanDerWaalsContact O-N 3.15Å; S281-T284 PolarHBondContact OG-N 2.81Å; S281-T284 VanDerWaalsContact OG-N 3.13Å; S281-T284 PolarHBondContact OG-OG1 2.97Å; S281-R285 PolarHBondContact O-N 2.73Å
282K87.3Confident83.9Confident67 Ų6764 Ų6429%0.29131%0.314SS..Hα-helixtrans-67.1-30.6176.1-67164.1-176.9174.70111.1L153 D157 E158 E171 T284 R285 L286L153-K282 HydrophobicContact CD1-CB 3.99Å; L153-K282 HydrophobicContact CD2-CB 4.35Å; D157-K282 PolarHBondContact O-NZ 3.43Å; E158-K282 HydrophobicContact CB-CB 4.02Å; E158-K282 HydrophobicContact CB-CD 3.92Å; E158-K282 HydrophobicContact CB-CG 4.43Å; E158-K282 WeakPolarHBondContact O-CD 3.49Å; E158-K282 PolarHBondContact O-NZ 3.27Å; E158-K282 PolarHBondContact OE2-N 3.49Å; E171-K282 VanDerWaalsContact OE1-CE 3.3Å; E171-K282 WeakPolarHBondContact OE1-CE 3.37Å; E171-K282 IonicContact OE1-NZ 3.06Å; E171-K282 PolarHBondContact OE1-NZ 2.89Å; E171-K282 IonicContact OE2-NZ 2.87Å; K282-T284 VanDerWaalsContact C-N 3.35Å; K282-R285 PolarHBondContact O-N 3.11Å; K282-L286 WeakPolarHBondContact O-CB 3.32Å; K282-L286 PolarHBondContact O-N 2.81Å
283L88.2Confident83.8Confident1 Ų163.7 Ų63.71%0.00530%0.303CS..Hα-helixtrans-61.3-44.7169.8-176.665.4000111.1L153 E158 H211 L243 L257 I262 S281 R285 L286 L287L153-L283 HydrophobicContact CD2-CB 3.6Å; L153-L283 HydrophobicContact CD2-CD1 4.17Å; L153-L283 HydrophobicContact CD2-CG 4.49Å; L153-L283 VanDerWaalsContact CD2-N 3.33Å; E158-L283 VanDerWaalsContact OE1-CB 3.31Å; E158-L283 WeakPolarHBondContact OE1-CB 3.39Å; E158-L283 PolarHBondContact OE1-N 2.88Å; E158-L283 VanDerWaalsContact OE1-N 3.15Å; H211-L283 HydrophobicContact CB-CD1 4.08Å; L243-L283 HydrophobicContact CD2-CD1 3.99Å; L257-L283 HydrophobicContact CD1-CD2 4.49Å; I262-L283 HydrophobicContact CD1-CD2 3.9Å; I262-L283 HydrophobicContact CG1-CD2 3.92Å; S281-L283 VanDerWaalsContact C-N 3.29Å; S281-L283 PolarHBondContact O-N 3.21Å; S281-L283 WeakPolarHBondContact OG-CB 3.49Å; S281-L283 PolarHBondContact OG-N 2.92Å; L283-R285 VanDerWaalsContact C-N 3.29Å; L283-R285 PolarHBondContact O-N 3.41Å; L283-L286 PolarHBondContact O-N 2.87Å; L283-L287 HydrophobicContact CD1-CD1 4.29Å; L283-L287 HydrophobicContact CD1-CG 4.33Å; L283-L287 HydrophobicContact CD2-CD1 4.49Å; L283-L287 HydrophobicContact CG-CD1 3.96Å; L283-L287 HydrophobicContact CG-CG 4.39Å; L283-L287 WeakPolarHBondContact O-CB 3.5Å; L283-L287 WeakPolarHBondContact O-CG 3.4Å; L283-L287 PolarHBondContact O-N 2.98Å
284T88.5Confident83.7Confident3 Ų363.8 Ų63.82%0.01831%0.314CS..Hα-helixtrans-62.3-38177.4-60.90000111.5L257 V265 V276 P277 S278 S281 K282 K288L257-T284 WeakPolarHBondContact CD1-OG1 3.32Å; V265-T284 HydrophobicContact CG1-CG2 4.02Å; V265-T284 HydrophobicContact CG2-CG2 4.39Å; V276-T284 HydrophobicContact CB-CG2 4.43Å; V276-T284 HydrophobicContact CG1-CG2 3.66Å; P277-T284 WeakPolarHBondContact O-CG2 3.32Å; S278-T284 WeakPolarHBondContact O-CB 3.46Å; S278-T284 PolarHBondContact O-OG1 3.48Å; S281-T284 WeakPolarHBondContact O-CB 3.41Å; S281-T284 PolarHBondContact O-N 2.9Å; S281-T284 VanDerWaalsContact O-N 3.15Å; S281-T284 PolarHBondContact OG-N 2.81Å; S281-T284 VanDerWaalsContact OG-N 3.13Å; S281-T284 PolarHBondContact OG-OG1 2.97Å; K282-T284 VanDerWaalsContact C-N 3.35Å; T284-K288 VanDerWaalsContact O-CB 3.31Å; T284-K288 WeakPolarHBondContact O-CB 3.2Å; T284-K288 PolarHBondContact O-N 2.91Å; T284-K288 VanDerWaalsContact O-N 3.13Å
285R88.1Confident84Confident120 Ų12063 Ų6345%0.45331%0.313SS..Hα-helixtrans-64.7-48.9173.2-176.3174.9175.8-177.5-6.8111.8L174 S281 K282 L283 L287 K288 E289L174-R285 HydrophobicContact CD1-CG 4.09Å; S281-R285 PolarHBondContact O-N 2.73Å; K282-R285 PolarHBondContact O-N 3.11Å; L283-R285 VanDerWaalsContact C-N 3.29Å; L283-R285 PolarHBondContact O-N 3.41Å; R285-L287 PolarHBondContact O-N 3.22Å; R285-K288 WeakPolarHBondContact O-CB 3.37Å; R285-K288 PolarHBondContact O-N 2.87Å; R285-K288 VanDerWaalsContact O-N 3.15Å; R285-E289 VanDerWaalsContact CG-OE1 3.24Å; R285-E289 WeakPolarHBondContact CG-OE1 3.44Å; R285-E289 IonicContact CZ-OE1 2.69Å; R285-E289 IonicContact NE-OE1 3.36Å; R285-E289 PolarHBondContact NE-OE1 2.81Å; R285-E289 IonicContact NH2-OE1 3.42Å; R285-E289 WeakPolarHBondContact O-CG 3.28Å; R285-E289 PolarHBondContact O-N 3.41Å
286L90.3Very high84.4Confident4 Ų456.2 Ų56.22%0.02128%0.282CS..Hα-helixtrans-57-51.7177.7-171.3163.9000111.3M151 L160 L174 V213 I241 K282 L283 K288 E289 T290M151-L286 HydrophobicContact SD-CD1 3.95Å; L160-L286 HydrophobicContact CD1-CD1 4.29Å; L174-L286 HydrophobicContact CD1-CB 4.35Å; L174-L286 HydrophobicContact CD2-CB 4.29Å; L174-L286 HydrophobicContact CD2-CD1 4.05Å; L174-L286 HydrophobicContact CD2-CG 3.98Å; V213-L286 HydrophobicContact CG2-CD1 4.01Å; V213-L286 HydrophobicContact CG2-CD2 4.1Å; I241-L286 HydrophobicContact CD1-CD2 4.13Å; K282-L286 WeakPolarHBondContact O-CB 3.32Å; K282-L286 PolarHBondContact O-N 2.81Å; L283-L286 PolarHBondContact O-N 2.87Å; L286-K288 PolarHBondContact O-N 2.89Å; L286-E289 PolarHBondContact O-N 3.31Å; L286-T290 HydrophobicContact CD2-CG2 4.25Å; L286-T290 PolarHBondContact O-N 3.27Å; L286-T290 PolarHBondContact O-OG1 3.23Å
287L91.6Very high84.9Confident1 Ų158.3 Ų58.31%0.00529%0.29CS..Hα-helixtrans-61.2-29.7178.7-68.5173000112.6L96 I241 L243 V265 L266 L269 L283 R285 T290 I291 G292L96-L287 HydrophobicContact CD2-CD2 4.02Å; I241-L287 HydrophobicContact CD1-CD2 4.21Å; I241-L287 HydrophobicContact CG2-CD2 4.47Å; L243-L287 HydrophobicContact CD2-CD2 4.28Å; V265-L287 HydrophobicContact CG1-CD1 4.21Å; L266-L287 HydrophobicContact CD2-CD1 4.14Å; L266-L287 HydrophobicContact CD2-CD2 4.23Å; L269-L287 HydrophobicContact CD1-CB 3.64Å; L283-L287 HydrophobicContact CD1-CD1 4.29Å; L283-L287 HydrophobicContact CD1-CG 4.33Å; L283-L287 HydrophobicContact CD2-CD1 4.49Å; L283-L287 HydrophobicContact CG-CD1 3.96Å; L283-L287 HydrophobicContact CG-CG 4.39Å; L283-L287 WeakPolarHBondContact O-CB 3.5Å; L283-L287 WeakPolarHBondContact O-CG 3.4Å; L283-L287 PolarHBondContact O-N 2.98Å; R285-L287 PolarHBondContact O-N 3.22Å; L287-T290 PolarHBondContact O-OG1 2.91Å; L287-I291 HydrophobicContact CB-CD1 4.35Å; L287-I291 HydrophobicContact CD2-CD1 3.68Å; L287-I291 WeakPolarHBondContact O-CB 3.35Å; L287-I291 PolarHBondContact O-N 2.91Å; L287-G292 PolarHBondContact O-N 3.13Å
288K89.7Confident85.7Confident103 Ų10356.4 Ų56.445%0.44828%0.277SS..Hα-helixtrans-75.1-35.5173.9-173.3177.3179.2178.40112.7L269 T284 R285 L286 T290 G292L269-K288 HydrophobicContact CD2-CB 3.94Å; L269-K288 HydrophobicContact CD2-CG 4.01Å; T284-K288 VanDerWaalsContact O-CB 3.31Å; T284-K288 WeakPolarHBondContact O-CB 3.2Å; T284-K288 PolarHBondContact O-N 2.91Å; T284-K288 VanDerWaalsContact O-N 3.13Å; R285-K288 WeakPolarHBondContact O-CB 3.37Å; R285-K288 PolarHBondContact O-N 2.87Å; R285-K288 VanDerWaalsContact O-N 3.15Å; L286-K288 PolarHBondContact O-N 2.89Å; K288-T290 VanDerWaalsContact C-N 3.32Å; K288-G292 CarbonylContact O-C 3.55Å; K288-G292 WeakPolarHBondContact O-CA 3.22Å; K288-G292 PolarHBondContact O-N 3.21Å
289E87.3Confident86.7Confident67 Ų6753.9 Ų53.931%0.31326%0.26SS..Hα-helixtrans-78.2-14.9177.9-69.2-179.4-15600113.1R285 L286 T293R285-E289 VanDerWaalsContact CG-OE1 3.24Å; R285-E289 WeakPolarHBondContact CG-OE1 3.44Å; R285-E289 IonicContact CZ-OE1 2.69Å; R285-E289 IonicContact NE-OE1 3.36Å; R285-E289 PolarHBondContact NE-OE1 2.81Å; R285-E289 IonicContact NH2-OE1 3.42Å; R285-E289 WeakPolarHBondContact O-CG 3.28Å; R285-E289 PolarHBondContact O-N 3.41Å; L286-E289 PolarHBondContact O-N 3.31Å; E289-T293 WeakPolarHBondContact O-CG2 3.42Å
290T87.6Confident87.8Confident7 Ų743.7 Ų43.74%0.04322%0.221CC..Hα-helixtrans-97.4-75.6168.158.40000112.1I241 L286 L287 K288 T293I241-T290 HydrophobicContact CD1-CG2 4.27Å; L286-T290 HydrophobicContact CD2-CG2 4.25Å; L286-T290 PolarHBondContact O-N 3.27Å; L286-T290 PolarHBondContact O-OG1 3.23Å; L287-T290 PolarHBondContact O-OG1 2.91Å; K288-T290 VanDerWaalsContact C-N 3.32Å; T290-T293 WeakPolarHBondContact O-CG2 3.27Å; T290-T293 PolarHBondContact O-OG1 3.35Å
291I88.4Confident88.8Confident0 Ų034.5 Ų34.50%018%0.178CC..THydrogen-bonded Turntrans-75.5-30.2-170.8-55.5154000112.6L96 L266 L270 L287 T293 V299L96-I291 HydrophobicContact CD1-CD1 3.68Å; L96-I291 HydrophobicContact CD1-CG1 4.36Å; L96-I291 HydrophobicContact CD2-CD1 4.06Å; L96-I291 HydrophobicContact CG-CD1 4.42Å; L266-I291 HydrophobicContact CD2-CD1 3.81Å; L270-I291 HydrophobicContact CD2-CG2 3.58Å; L270-I291 HydrophobicContact CG-CG2 4.15Å; L287-I291 HydrophobicContact CB-CD1 4.35Å; L287-I291 HydrophobicContact CD2-CD1 3.68Å; L287-I291 WeakPolarHBondContact O-CB 3.35Å; L287-I291 PolarHBondContact O-N 2.91Å; I291-T293 PolarHBondContact O-N 3.45Å; I291-V299 HydrophobicContact CG2-CG2 4.12Å
292G80.9Confident89.3Confident38 Ų3834.1 Ų34.139%0.39218%0.176SC..THydrogen-bonded Turntrans-74-5.8179.500000114.4L287 K288L287-G292 PolarHBondContact O-N 3.13Å; K288-G292 CarbonylContact O-C 3.55Å; K288-G292 WeakPolarHBondContact O-CA 3.22Å; K288-G292 PolarHBondContact O-N 3.21Å
293T81.7Confident89.6Confident35 Ų3531 Ų3122%0.21516%0.162CC..SBendtrans-76.1153.7179.766.80000112.5E289 T290 I291 Q295 C296E289-T293 WeakPolarHBondContact O-CG2 3.42Å; T290-T293 WeakPolarHBondContact O-CG2 3.27Å; T290-T293 PolarHBondContact O-OG1 3.35Å; I291-T293 PolarHBondContact O-N 3.45Å; T293-Q295 PolarHBondContact O-N 2.98Å; T293-C296 PolarHBondContact OG1-N 3.22Å
294S81Confident89.7Confident100 Ų10031.1 Ų31.170%0.69916%0.163SC*.SBendtrans-72.2-12.417153.80000113.5K297S294-K297 PolarHBondContact O-NZ 3.45Å
295Q86.5Confident89.9Confident112 Ų11231 Ų3152%0.52316%0.162SC..SBendtrans-87.3-29.2180-56.6-62.448.200112.4D92 T293 K297D92-Q295 HydrophobicContact CB-CB 4.25Å; D92-Q295 PolarHBondContact N-O 2.93Å; D92-Q295 VanDerWaalsContact N-O 3.11Å; D92-Q295 WeakPolarHBondContact OD2-CB 3.33Å; T293-Q295 PolarHBondContact O-N 2.98Å; Q295-K297 WeakPolarHBondContact O-CG 3.31Å; Q295-K297 PolarHBondContact O-N 2.85Å; Q295-K297 VanDerWaalsContact O-N 3.17Å
296C91.2Very high89.8Confident3 Ų325.7 Ų25.72%0.0214%0.144CC..EExtended strand (participates in β ladder)trans-67.8110.3174.2-170.30000110.5F2 D92 T293F2-C296 WeakPolarHBondContact CD2-O 3.32Å; D92-C296 HydrophobicContact CB-CB 4.42Å; D92-C296 CarbonylContact O-C 3.56Å; D92-C296 VanDerWaalsContact O-CA 3.3Å; D92-C296 WeakPolarHBondContact O-CA 3.22Å; T293-C296 PolarHBondContact OG1-N 3.22Å
297K91.4Very high89.6Confident53 Ų5325.8 Ų25.823%0.2315%0.145CC..EExtended strand (participates in β ladder)trans-104.4-35-177.5-51-55.8-172.6-170.60113.2F2 Q3 E91 D92 S294 Q295F2-K297 CarbonylContact C-O 3.6Å; F2-K297 WeakPolarHBondContact CA-O 3.29Å; F2-K297 WeakPolarHBondContact CD2-O 3.2Å; Q3-K297 PolarHBondContact N-O 3.08Å; E91-K297 HydrophobicContact CB-CB 4.34Å; E91-K297 HydrophobicContact CB-CG 3.71Å; E91-K297 VanDerWaalsContact CD-CG 3.45Å; E91-K297 HydrophobicContact CG-CG 3.84Å; E91-K297 WeakPolarHBondContact OE1-CG 3.47Å; D92-K297 PolarHBondContact O-N 2.94Å; S294-K297 PolarHBondContact O-NZ 3.45Å; Q295-K297 WeakPolarHBondContact O-CG 3.31Å; Q295-K297 PolarHBondContact O-N 2.85Å; Q295-K297 VanDerWaalsContact O-N 3.17Å
298F94.2Very high89.2Confident3 Ų327.6 Ų27.61%0.01316%0.155CC..EExtended strand (participates in β ladder)trans-118.5130.2-179.4-156.7-72.2000110.7Q3 K5 E82 V83 A93 C94Q3-F298 HydrophobicContact CB-CD2 3.55Å; Q3-F298 HydrophobicContact CB-CE2 3.65Å; Q3-F298 HydrophobicContact CB-CG 4.29Å; Q3-F298 HydrophobicContact CB-CZ 4.47Å; Q3-F298 HydrophobicContact CG-CD2 4.4Å; Q3-F298 HydrophobicContact CG-CE2 4.39Å; Q3-F298 WeakPolarHBondContact O-CA 3.47Å; K5-F298 HydrophobicContact CB-CE1 4Å; K5-F298 HydrophobicContact CB-CZ 4.01Å; K5-F298 HydrophobicContact CD-CZ 4.24Å; E82-F298 HydrophobicContact CB-CD2 3.92Å; E82-F298 HydrophobicContact CB-CE1 4.27Å; E82-F298 HydrophobicContact CB-CE2 3.33Å; E82-F298 HydrophobicContact CB-CZ 3.54Å; E82-F298 HydrophobicContact CG-CE2 4.06Å; E82-F298 HydrophobicContact CG-CZ 4.21Å; E82-F298 WeakPolarHBondContact OE1-CE2 3.3Å; V83-F298 HydrophobicContact CG2-CD1 3.43Å; V83-F298 VanDerWaalsContact CG2-CD1 3.43Å; V83-F298 HydrophobicContact CG2-CE1 3.75Å; V83-F298 HydrophobicContact CG2-CG 4.31Å; A93-F298 CarbonylContact C-O 3.56Å; A93-F298 VanDerWaalsContact CA-O 3.28Å; A93-F298 WeakPolarHBondContact CA-O 3.48Å; A93-F298 HydrophobicContact CB-CB 4.11Å; C94-F298 PolarHBondContact N-O 2.76Å
299V95.2Very high88.7Confident0 Ų025.3 Ų25.30%015%0.15CC..EExtended strand (participates in β ladder)trans-127.5121.8171.5179.90000109.3F2 Q3 L4 K5 C94 L96 L270 I291 V301F2-V299 HydrophobicContact CE2-CG2 3.81Å; F2-V299 HydrophobicContact CZ-CB 4.14Å; F2-V299 HydrophobicContact CZ-CG2 3.68Å; Q3-V299 PolarHBondContact O-N 2.88Å; L4-V299 CarbonylContact C-O 3.5Å; L4-V299 WeakPolarHBondContact CA-O 3.31Å; L4-V299 HydrophobicContact CD1-CB 4Å; L4-V299 HydrophobicContact CD1-CG1 3.94Å; K5-V299 PolarHBondContact N-O 2.82Å; C94-V299 HydrophobicContact CB-CG2 4.38Å; C94-V299 CarbonylContact O-C 3.56Å; C94-V299 WeakPolarHBondContact O-CA 3.5Å; L96-V299 HydrophobicContact CD1-CG1 3.55Å; L270-V299 HydrophobicContact CD2-CB 4.33Å; L270-V299 HydrophobicContact CD2-CG1 4.33Å; L270-V299 HydrophobicContact CD2-CG2 4.15Å; I291-V299 HydrophobicContact CG2-CG2 4.12Å; V299-V301 HydrophobicContact CG1-CG2 3.98Å
300S95.7Very high88.4Confident0 Ų031.3 Ų31.30%018%0.179CC..EExtended strand (participates in β ladder)trans-101.3131.7167.7-175.90000109.2K5 S79 C94 V95 L96K5-S300 CarbonylContact O-C 3.59Å; S79-S300 PolarHBondContact OG-OG 2.83Å; C94-S300 PolarHBondContact O-N 3.04Å; V95-S300 CarbonylContact C-O 3.54Å; V95-S300 WeakPolarHBondContact CA-O 3.3Å; L96-S300 PolarHBondContact N-O 3.05Å
301V95.2Very high88.1Confident0 Ų033.3 Ų33.30%019%0.185CC..EExtended strand (participates in β ladder)trans-119.5112.6177.4-1710000108.9L4 K5 I7 L96 V299 L325L4-V301 HydrophobicContact CD1-CG2 3.79Å; K5-V301 PolarHBondContact O-N 3.18Å; I7-V301 PolarHBondContact N-O 2.86Å; L96-V301 HydrophobicContact CB-CG1 4.41Å; L96-V301 HydrophobicContact CB-CG2 4.47Å; L96-V301 HydrophobicContact CD1-CG2 4.13Å; V299-V301 HydrophobicContact CG1-CG2 3.98Å; V301-L325 HydrophobicContact CG1-CD1 4.43Å
302L94.7Very high87.9Confident0 Ų034 Ų340%019%0.188CC..EExtended strand (participates in β ladder)trans-95.3113.4174.518060.1000109.3I7 R9 I75 L96 S97 F98 V121I7-L302 HydrophobicContact CB-CD1 4.13Å; I7-L302 HydrophobicContact CG2-CD1 3.68Å; R9-L302 HydrophobicContact CB-CD1 4.29Å; I75-L302 HydrophobicContact CG2-CD1 3.81Å; I75-L302 HydrophobicContact CG2-CD2 3.92Å; L96-L302 PolarHBondContact O-N 2.95Å; S97-L302 WeakPolarHBondContact CA-O 3.46Å; F98-L302 PolarHBondContact N-O 3.02Å; V121-L302 HydrophobicContact CG2-CD2 4.25Å
303C93.8Very high88.1Confident0 Ų036.9 Ų36.90%019%0.194CC..EExtended strand (participates in β ladder)trans-102.7114.1-177.8-56.30000110.3I7 V8 R9 F98 V318 S322I7-C303 PolarHBondContact O-N 2.85Å; V8-C303 CarbonylContact C-O 3.59Å; V8-C303 WeakPolarHBondContact CA-O 3.42Å; V8-C303 HydrophobicContact CG2-CB 4.14Å; R9-C303 PolarHBondContact N-O 3.36Å; F98-C303 CarbonylContact O-C 3.46Å; F98-C303 VanDerWaalsContact O-CA 3.31Å; F98-C303 WeakPolarHBondContact O-CA 3.12Å; C303-V318 HydrophobicContact CB-CG1 3.78Å; C303-S322 VanDerWaalsContact SG-CB 3.51Å
304S91.7Very high88.3Confident5 Ų537.6 Ų37.64%0.03520%0.195CC..EExtended strand (participates in β ladder)trans-90.1129.7176.9-61.20000110.7F98 G99 H100F98-S304 PolarHBondContact O-N 2.68Å; G99-S304 CarbonylContact C-O 3.46Å; H100-S304 PolarHBondContact N-O 3.13Å; H100-S304 WeakPolarHBondContact O-CB 3.43Å
305I91.3Very high88.6Confident0 Ų032.9 Ų32.90%016%0.162CC..EExtended strand (participates in β ladder)trans-122.9145174.459.8173.9000110.5V8 R9 L10 L11 I26 V35 V318 L319V8-I305 HydrophobicContact CG1-CD1 3.94Å; V8-I305 HydrophobicContact CG1-CG1 4.14Å; V8-I305 HydrophobicContact CG1-CG2 4.37Å; R9-I305 WeakPolarHBondContact O-CG1 3.42Å; R9-I305 PolarHBondContact O-N 3.47Å; L10-I305 HydrophobicContact CB-CG1 4.39Å; L10-I305 HydrophobicContact CD1-CD1 4.09Å; L10-I305 HydrophobicContact CD1-CG1 3.85Å; L11-I305 WeakPolarHBondContact CG-O 3.46Å; L11-I305 PolarHBondContact N-O 3.48Å; I26-I305 HydrophobicContact CD1-CD1 4.29Å; I26-I305 HydrophobicContact CG2-CD1 4.16Å; V35-I305 HydrophobicContact CG1-CD1 3.96Å; I305-V318 HydrophobicContact CG2-CB 3.87Å; I305-V318 HydrophobicContact CG2-CG1 3.68Å; I305-L319 HydrophobicContact CD1-CD1 4.42Å; I305-L319 HydrophobicContact CD1-CD2 4.17Å; I305-L319 HydrophobicContact CG2-CD2 4.45Å; I305-L319 HydrophobicContact CG2-CG 4.24Å
306S87.2Confident88.8Confident8 Ų828 Ų286%0.05614%0.139CC..  trans-96.7147.3172.3-171.30000111.2I26 D308 S315I26-S306 WeakPolarHBondContact CD1-O 3.15Å; S306-D308 VanDerWaalsContact C-N 3.3Å; S306-D308 PolarHBondContact OG-N 3.04Å; S306-D308 VanDerWaalsContact OG-N 3.15Å; S306-D308 PolarHBondContact OG-OD2 2.85Å; S306-S315 PolarHBondContact N-OG 2.89Å; S306-S315 VanDerWaalsContact N-OG 3.1Å; S306-S315 PolarHBondContact O-OG 3.43Å
307A85.4Confident88.8Confident6 Ų630.5 Ų30.55%0.0515%0.152CC..  trans-79.7-6.3168.900000113.5L10 I13 Y25L10-A307 HydrophobicContact CD1-CB 4Å; I13-A307 HydrophobicContact CD1-CB 3.85Å; I13-A307 HydrophobicContact CG1-CB 3.8Å; Y25-A307 WeakPolarHBondContact CE1-O 3.35Å
308D82.2Confident88.8Confident39 Ų3928 Ų2821%0.20914%0.141CC..  trans-61.5128.6-178.7-55.6-45.6000111.1Y25 S306 E310 R311Y25-D308 PolarHBondContact OH-O 2.8Å; S306-D308 VanDerWaalsContact C-N 3.3Å; S306-D308 PolarHBondContact OG-N 3.04Å; S306-D308 VanDerWaalsContact OG-N 3.15Å; S306-D308 PolarHBondContact OG-OD2 2.85Å; D308-E310 PolarHBondContact O-N 3.2Å; D308-R311 HydrophobicContact CB-CB 4.21Å; D308-R311 HydrophobicContact CB-CG 4.14Å; D308-R311 PolarHBondContact O-N 3.04Å; D308-R311 VanDerWaalsContact O-N 3.11Å; D308-R311 WeakPolarHBondContact OD2-CD 3.39Å; D308-R311 IonicContact OD2-NE 2.73Å; D308-R311 PolarHBondContact OD2-NE 3.28Å
309P80.9Confident88.8Confident55 Ų5527.9 Ų27.936%0.35714%0.141SC..G310 helixtrans-59.9-31.5175.3-27.436.7000113.6Y25 R311 Y312Y25-P309 HydrophobicContact CD1-CG 4.44Å; Y25-P309 HydrophobicContact CE1-CB 4.3Å; Y25-P309 HydrophobicContact CE1-CG 4.15Å; P309-R311 VanDerWaalsContact C-N 3.25Å; P309-R311 PolarHBondContact O-N 3.32Å; P309-Y312 VanDerWaalsContact O-CB 3.24Å; P309-Y312 WeakPolarHBondContact O-CB 3.46Å; P309-Y312 PolarHBondContact O-N 2.95Å
310E80Confident88.7Confident194 Ų19432.2 Ų32.291%0.90716%0.161SC*.G310 helixtrans-63.8-31.9176.9-59.1-174.416700112.2D308 Y312D308-E310 PolarHBondContact O-N 3.2Å; E310-Y312 VanDerWaalsContact C-N 3.34Å
311R80.8Confident88.6Confident49 Ų4932.6 Ų32.619%0.18516%0.163CC..G310 helixtrans-89.26.5178.9-63.9-179.4-179-89.61.8113.5H100 E247 D308 P309 L313 E314 S315H100-R311 PolarHBondContact ND1-NH1 3.45Å; H100-R311 VanDerWaalsContact ND1-NH1 3.19Å; E247-R311 IonicContact OE1-CZ 2.74Å; E247-R311 IonicContact OE1-NH1 3.47Å; E247-R311 PolarHBondContact OE1-NH1 2.87Å; E247-R311 IonicContact OE1-NH2 3.91Å; D308-R311 HydrophobicContact CB-CB 4.21Å; D308-R311 HydrophobicContact CB-CG 4.14Å; D308-R311 PolarHBondContact O-N 3.04Å; D308-R311 VanDerWaalsContact O-N 3.11Å; D308-R311 WeakPolarHBondContact OD2-CD 3.39Å; D308-R311 IonicContact OD2-NE 2.73Å; D308-R311 PolarHBondContact OD2-NE 3.28Å; P309-R311 VanDerWaalsContact C-N 3.25Å; P309-R311 PolarHBondContact O-N 3.32Å; R311-L313 VanDerWaalsContact C-N 3.3Å; R311-L313 PolarHBondContact O-N 2.94Å; R311-L313 VanDerWaalsContact O-N 3.14Å; R311-E314 PolarHBondContact O-N 2.87Å; R311-S315 PolarHBondContact O-N 2.86Å
312Y85.5Confident88.5Confident13 Ų1332.6 Ų32.65%0.05116%0.163CC..Hα-helixtrans-45.2-50.5-176.2-178.9-83.4000113.6Y25 L37 A38 Q40 I42 P309 E310 E314 M316Y25-Y312 AromaticContact CD2-CD2 3.42Å; Y25-Y312 HydrophobicContact CD2-CD2 3.42Å; Y25-Y312 VanDerWaalsContact CD2-CD2 3.42Å; Y25-Y312 AromaticContact CD2-CE2 3.49Å; Y25-Y312 HydrophobicContact CD2-CE2 3.49Å; Y25-Y312 VanDerWaalsContact CD2-CE2 3.49Å; Y25-Y312 HydrophobicContact CE1-CD2 4.49Å; Y25-Y312 AromaticContact CE2-CD2 3.23Å; Y25-Y312 HydrophobicContact CE2-CD2 3.23Å; Y25-Y312 AromaticContact CE2-CE2 3.7Å; Y25-Y312 HydrophobicContact CE2-CE2 3.7Å; Y25-Y312 HydrophobicContact CE2-CG 4.18Å; Y25-Y312 HydrophobicContact CG-CD2 4.17Å; Y25-Y312 HydrophobicContact CG-CE2 4.34Å; Y25-Y312 AromaticContact CZ-CD2 3.82Å; Y25-Y312 WeakPolarHBondContact OH-CA 3.18Å; L37-Y312 HydrophobicContact CD1-CE2 4.22Å; L37-Y312 HydrophobicContact CG-CE2 4.48Å; A38-Y312 WeakPolarHBondContact O-CE2 3.47Å; A38-Y312 PolarHBondContact O-OH 3.07Å; A38-Y312 VanDerWaalsContact O-OH 3.04Å; Q40-Y312 HydrophobicContact CB-CD2 3.87Å; Q40-Y312 HydrophobicContact CB-CE2 3.83Å; Q40-Y312 HydrophobicContact CG-CD2 4.2Å; Q40-Y312 HydrophobicContact CG-CE2 4.18Å; I42-Y312 HydrophobicContact CD1-CE1 4.43Å; I42-Y312 HydrophobicContact CG1-CE1 4.43Å; P309-Y312 VanDerWaalsContact O-CB 3.24Å; P309-Y312 WeakPolarHBondContact O-CB 3.46Å; P309-Y312 PolarHBondContact O-N 2.95Å; E310-Y312 VanDerWaalsContact C-N 3.34Å; Y312-E314 VanDerWaalsContact C-N 3.31Å; Y312-E314 PolarHBondContact O-N 2.84Å; Y312-M316 HydrophobicContact CE1-CE 3.75Å; Y312-M316 WeakPolarHBondContact O-CB 3.48Å; Y312-M316 PolarHBondContact O-N 3.14Å; Y312-M316 VanDerWaalsContact OH-CE 3.27Å; Y312-M316 WeakPolarHBondContact OH-CE 3.39Å
313L85.5Confident88.5Confident99 Ų9932.8 Ų32.852%0.51816%0.164SC..Hα-helixtrans-69.1-29.7-177.2-66.1173.8000112.4I42 R311 N317I42-L313 HydrophobicContact CD1-CD2 4.43Å; R311-L313 VanDerWaalsContact C-N 3.3Å; R311-L313 PolarHBondContact O-N 2.94Å; R311-L313 VanDerWaalsContact O-N 3.14Å; L313-N317 PolarHBondContact O-N 3.12Å; L313-N317 VanDerWaalsContact O-N 3.09Å; L313-N317 PolarHBondContact O-ND2 3.29Å
314E84.8Confident88.5Confident51 Ų5138.8 Ų38.824%0.23819%0.187CC..Hα-helixtrans-82.3-43.6-178.4-60.8-172.4141.100110.9H100 Q259 R311 Y312 M316 N317 V318H100-E314 WeakPolarHBondContact CE1-CB 3.33Å; H100-E314 IonicContact CE1-OE2 3.84Å; H100-E314 PolarHBondContact CE1-OE2 3.09Å; H100-E314 WeakPolarHBondContact NE2-CB 3.4Å; Q259-E314 PolarHBondContact NE2-O 3.05Å; Q259-E314 VanDerWaalsContact NE2-O 3.08Å; R311-E314 PolarHBondContact O-N 2.87Å; Y312-E314 VanDerWaalsContact C-N 3.31Å; Y312-E314 PolarHBondContact O-N 2.84Å; E314-M316 VanDerWaalsContact C-N 3.33Å; E314-M316 PolarHBondContact O-N 3.22Å; E314-N317 WeakPolarHBondContact O-CB 3.45Å; E314-N317 PolarHBondContact O-N 3.37Å; E314-N317 VanDerWaalsContact O-N 3.1Å; E314-V318 WeakPolarHBondContact O-CG2 3.42Å; E314-V318 PolarHBondContact O-N 3.43Å
315S88.5Confident88.6Confident0 Ų038.6 Ų38.60%019%0.185CC..Hα-helixtrans-58.1-41.3167.4-76.60000112H100 S306 R311 N317 V318 L319H100-S315 PolarHBondContact NE2-N 2.81Å; S306-S315 PolarHBondContact N-OG 2.89Å; S306-S315 VanDerWaalsContact N-OG 3.1Å; S306-S315 PolarHBondContact O-OG 3.43Å; R311-S315 PolarHBondContact O-N 2.86Å; S315-N317 PolarHBondContact O-N 2.9Å; S315-V318 PolarHBondContact O-N 2.88Å; S315-L319 WeakPolarHBondContact O-CG 3.42Å; S315-L319 PolarHBondContact O-N 3.5Å
316M89.9Confident88.7Confident9 Ų941.6 Ų41.64%0.04420%0.199CC..Hα-helixtrans-58.8-44.6172174.873.875.800111.6L37 K58 F60 Y312 E314 L319 Q320L37-M316 HydrophobicContact CD2-CB 4.45Å; L37-M316 HydrophobicContact CD2-CE 3.4Å; L37-M316 HydrophobicContact CD2-SD 3.68Å; L37-M316 HydrophobicContact CG-CE 4.43Å; K58-M316 HydrophobicContact CD-CE 3.93Å; K58-M316 HydrophobicContact CD-SD 4.36Å; F60-M316 HydrophobicContact CZ-SD 4.32Å; Y312-M316 HydrophobicContact CE1-CE 3.75Å; Y312-M316 WeakPolarHBondContact O-CB 3.48Å; Y312-M316 PolarHBondContact O-N 3.14Å; Y312-M316 VanDerWaalsContact OH-CE 3.27Å; Y312-M316 WeakPolarHBondContact OH-CE 3.39Å; E314-M316 VanDerWaalsContact C-N 3.33Å; E314-M316 PolarHBondContact O-N 3.22Å; M316-L319 PolarHBondContact O-N 3.15Å; M316-Q320 WeakPolarHBondContact O-CG 3.33Å; M316-Q320 PolarHBondContact O-N 3.25Å; M316-Q320 HydrophobicContact SD-CG 4.41Å; M316-Q320 PolarHBondContact SD-NE2 2.82Å; M316-Q320 VanDerWaalsContact SD-NE2 3.41Å
317N90.2Very high88.8Confident57 Ų5749.5 Ų49.531%0.30523%0.228SC..Hα-helixtrans-64-41.8177.8-71.4-28.8000111.8L313 E314 S315 L319 Q320 I321L313-N317 PolarHBondContact O-N 3.12Å; L313-N317 VanDerWaalsContact O-N 3.09Å; L313-N317 PolarHBondContact O-ND2 3.29Å; E314-N317 WeakPolarHBondContact O-CB 3.45Å; E314-N317 PolarHBondContact O-N 3.37Å; E314-N317 VanDerWaalsContact O-N 3.1Å; S315-N317 PolarHBondContact O-N 2.9Å; N317-L319 PolarHBondContact O-N 3.07Å; N317-Q320 PolarHBondContact O-N 3.07Å; N317-I321 WeakPolarHBondContact O-CB 3.34Å; N317-I321 VanDerWaalsContact O-CD1 3.29Å; N317-I321 WeakPolarHBondContact O-CD1 3.48Å; N317-I321 WeakPolarHBondContact O-CG1 3.42Å; N317-I321 PolarHBondContact O-N 2.99Å
318V92.1Very high88.9Confident0 Ų050.7 Ų50.70%023%0.233CC..Hα-helixtrans-56.8-50.4172.8177.40000110.4F98 Q259 C303 I305 E314 S315 Q320 I321 S322F98-V318 HydrophobicContact CD1-CG1 4.39Å; F98-V318 HydrophobicContact CE1-CG1 4.46Å; F98-V318 HydrophobicContact CE1-CG2 4.5Å; Q259-V318 VanDerWaalsContact CD-CG2 3.45Å; Q259-V318 HydrophobicContact CG-CG2 4.46Å; C303-V318 HydrophobicContact CB-CG1 3.78Å; I305-V318 HydrophobicContact CG2-CB 3.87Å; I305-V318 HydrophobicContact CG2-CG1 3.68Å; E314-V318 WeakPolarHBondContact O-CG2 3.42Å; E314-V318 PolarHBondContact O-N 3.43Å; S315-V318 PolarHBondContact O-N 2.88Å; V318-Q320 PolarHBondContact O-N 2.87Å; V318-I321 PolarHBondContact O-N 3.04Å; V318-S322 WeakPolarHBondContact O-CB 3.45Å; V318-S322 PolarHBondContact O-N 2.78Å; V318-S322 PolarHBondContact O-OG 2.91Å; V318-S322 VanDerWaalsContact O-OG 3.07Å
319L94Very high88Confident0 Ų058 Ų580%026%0.263CS..Hα-helixtrans-62.4-37.9-178-71.6167.1000113.1V8 V35 L37 F60 Y62 I305 S315 M316 N317 S322 S323V8-L319 HydrophobicContact CG1-CD2 4.26Å; V35-L319 HydrophobicContact CB-CD2 3.98Å; V35-L319 HydrophobicContact CG1-CD1 4.18Å; V35-L319 HydrophobicContact CG1-CD2 3.96Å; V35-L319 HydrophobicContact CG2-CD2 4.2Å; L37-L319 HydrophobicContact CD2-CD1 3.94Å; F60-L319 HydrophobicContact CD1-CB 4.38Å; F60-L319 HydrophobicContact CD2-CB 4.08Å; F60-L319 HydrophobicContact CD2-CD1 4.2Å; F60-L319 HydrophobicContact CD2-CD2 4.34Å; F60-L319 HydrophobicContact CD2-CG 4.44Å; F60-L319 HydrophobicContact CE1-CB 4.22Å; F60-L319 HydrophobicContact CE2-CB 3.92Å; F60-L319 HydrophobicContact CE2-CD1 4.04Å; F60-L319 HydrophobicContact CE2-CG 4.48Å; F60-L319 HydrophobicContact CG-CB 4.31Å; F60-L319 HydrophobicContact CZ-CB 3.98Å; Y62-L319 HydrophobicContact CE2-CD2 4.08Å; Y62-L319 WeakPolarHBondContact OH-CD2 3.26Å; Y62-L319 PolarHBondContact OH-O 3.49Å; Y62-L319 VanDerWaalsContact OH-O 3.09Å; I305-L319 HydrophobicContact CD1-CD1 4.42Å; I305-L319 HydrophobicContact CD1-CD2 4.17Å; I305-L319 HydrophobicContact CG2-CD2 4.45Å; I305-L319 HydrophobicContact CG2-CG 4.24Å; S315-L319 WeakPolarHBondContact O-CG 3.42Å; S315-L319 PolarHBondContact O-N 3.5Å; M316-L319 PolarHBondContact O-N 3.15Å; N317-L319 PolarHBondContact O-N 3.07Å; L319-S322 WeakPolarHBondContact CA-OG 3.1Å; L319-S322 PolarHBondContact O-OG 3.35Å; L319-S322 VanDerWaalsContact O-OG 3.14Å; L319-S323 WeakPolarHBondContact O-CB 3.46Å; L319-S323 PolarHBondContact O-N 3.47Å
320Q93.7Very high86.7Confident91 Ų9159 Ų5943%0.42526%0.26SS..Hα-helixtrans-68.1-42.3174.9-71.1179.120.100112.1F60 M316 N317 V318 R324F60-Q320 HydrophobicContact CE1-CG 4.43Å; M316-Q320 WeakPolarHBondContact O-CG 3.33Å; M316-Q320 PolarHBondContact O-N 3.25Å; M316-Q320 HydrophobicContact SD-CG 4.41Å; M316-Q320 PolarHBondContact SD-NE2 2.82Å; M316-Q320 VanDerWaalsContact SD-NE2 3.41Å; N317-Q320 PolarHBondContact O-N 3.07Å; V318-Q320 PolarHBondContact O-N 2.87Å; Q320-R324 VanDerWaalsContact O-CG 3.28Å; Q320-R324 WeakPolarHBondContact O-CG 3.27Å; Q320-R324 PolarHBondContact O-N 2.88Å
321I92.9Very high85Confident9 Ų955 Ų555%0.04625%0.249CC..Hα-helixtrans-66.7-48178.2-67.4161.6000110.3F98 N317 V318 S323 R324 L325F98-I321 HydrophobicContact CE1-CB 4.22Å; F98-I321 HydrophobicContact CE1-CD1 4.12Å; F98-I321 HydrophobicContact CE1-CG2 3.84Å; F98-I321 HydrophobicContact CZ-CD1 3.81Å; F98-I321 HydrophobicContact CZ-CG2 4.13Å; N317-I321 WeakPolarHBondContact O-CB 3.34Å; N317-I321 VanDerWaalsContact O-CD1 3.29Å; N317-I321 WeakPolarHBondContact O-CD1 3.48Å; N317-I321 WeakPolarHBondContact O-CG1 3.42Å; N317-I321 PolarHBondContact O-N 2.99Å; V318-I321 PolarHBondContact O-N 3.04Å; I321-S323 VanDerWaalsContact C-N 3.35Å; I321-S323 PolarHBondContact O-N 3.42Å; I321-R324 WeakPolarHBondContact O-CB 3.41Å; I321-R324 PolarHBondContact O-N 2.84Å; I321-R324 VanDerWaalsContact O-N 3.15Å; I321-L325 HydrophobicContact CG2-CD1 3.98Å; I321-L325 WeakPolarHBondContact O-CG 3.35Å; I321-L325 PolarHBondContact O-N 3.26Å
322S93.8Very high83Confident0 Ų061.9 Ų61.90%028%0.28CS..Hα-helixtrans-64.4-37.4178.666.80000112.1Y62 C303 V318 L319 R324 L325 H326Y62-S322 WeakPolarHBondContact CE1-OG 3.42Å; Y62-S322 PolarHBondContact OH-OG 3.43Å; C303-S322 VanDerWaalsContact SG-CB 3.51Å; V318-S322 WeakPolarHBondContact O-CB 3.45Å; V318-S322 PolarHBondContact O-N 2.78Å; V318-S322 PolarHBondContact O-OG 2.91Å; V318-S322 VanDerWaalsContact O-OG 3.07Å; L319-S322 WeakPolarHBondContact CA-OG 3.1Å; L319-S322 PolarHBondContact O-OG 3.35Å; L319-S322 VanDerWaalsContact O-OG 3.14Å; S322-R324 VanDerWaalsContact C-N 3.33Å; S322-R324 PolarHBondContact O-N 3.21Å; S322-L325 WeakPolarHBondContact O-CB 3.3Å; S322-L325 PolarHBondContact O-N 2.91Å; S322-H326 WeakPolarHBondContact O-CB 3.34Å; S322-H326 PolarHBondContact O-N 2.72Å
323S94.4Very high80.8Confident4 Ų469.7 Ų69.73%0.02831%0.314CS..Hα-helixtrans-70.7-27.1174.9-164.60000112.9L319 I321 R327L319-S323 WeakPolarHBondContact O-CB 3.46Å; L319-S323 PolarHBondContact O-N 3.47Å; I321-S323 VanDerWaalsContact C-N 3.35Å; I321-S323 PolarHBondContact O-N 3.42Å; S323-R327 WeakPolarHBondContact O-CD 3.35Å; S323-R327 VanDerWaalsContact O-CG 3.25Å; S323-R327 WeakPolarHBondContact O-CG 3.36Å; S323-R327 PolarHBondContact O-NE 3.08Å; S323-R327 PolarHBondContact OG-NH2 3.47Å
324R93.8Very high78.4Confident126 Ų12669.2 Ų69.248%0.47532%0.32SS..Hα-helixtrans-72.6-37.9168.5-70.316779.4-1504.1111.3N264 L267 Q320 I321 S322 R327N264-R324 PolarHBondContact OD1-NH1 3.44Å; L267-R324 HydrophobicContact CD1-CB 4.08Å; L267-R324 VanDerWaalsContact CD1-CZ 3.49Å; L267-R324 VanDerWaalsContact CD1-NH1 3.27Å; L267-R324 HydrophobicContact CD2-CB 3.68Å; Q320-R324 VanDerWaalsContact O-CG 3.28Å; Q320-R324 WeakPolarHBondContact O-CG 3.27Å; Q320-R324 PolarHBondContact O-N 2.88Å; I321-R324 WeakPolarHBondContact O-CB 3.41Å; I321-R324 PolarHBondContact O-N 2.84Å; I321-R324 VanDerWaalsContact O-N 3.15Å; S322-R324 VanDerWaalsContact C-N 3.33Å; S322-R324 PolarHBondContact O-N 3.21Å; R324-R327 PolarHBondContact O-N 3.04Å
325L93.3Very high75.8Confident0 Ų071 Ų710%034%0.335CS..Hα-helixtrans-64.7-48.1176.4-73.2166.2000111.9L4 V6 L266 L267 L270 V301 I321 S322 R327 L328L4-L325 VanDerWaalsContact CD2-O 3.28Å; L4-L325 WeakPolarHBondContact CD2-O 3.22Å; V6-L325 HydrophobicContact CG2-CB 3.93Å; L266-L325 HydrophobicContact CB-CD2 4.39Å; L267-L325 HydrophobicContact CD2-CB 4.48Å; L267-L325 HydrophobicContact CD2-CD2 3.71Å; L267-L325 HydrophobicContact CD2-CG 3.83Å; L267-L325 HydrophobicContact CG-CD2 4Å; L267-L325 HydrophobicContact CG-CG 4.25Å; L270-L325 HydrophobicContact CD1-CD2 3.45Å; L270-L325 VanDerWaalsContact CD1-CD2 3.45Å; V301-L325 HydrophobicContact CG1-CD1 4.43Å; I321-L325 HydrophobicContact CG2-CD1 3.98Å; I321-L325 WeakPolarHBondContact O-CG 3.35Å; I321-L325 PolarHBondContact O-N 3.26Å; S322-L325 WeakPolarHBondContact O-CB 3.3Å; S322-L325 PolarHBondContact O-N 2.91Å; L325-R327 PolarHBondContact O-N 3.41Å; L325-L328 HydrophobicContact CD2-CD1 4.18Å; L325-L328 VanDerWaalsContact O-CB 3.28Å; L325-L328 WeakPolarHBondContact O-CB 3.41Å; L325-L328 WeakPolarHBondContact O-CG 3.39Å; L325-L328 PolarHBondContact O-N 3.38Å
326H92.9Very high73.4Confident63 Ų6379.3 Ų79.329%0.29237%0.372SS..Hα-helixtrans-59.9-28.3179.5176.4-143.5000112.6V6 T61 Y62 D63 S322 L328V6-H326 HydrophobicContact CB-CB 4.07Å; V6-H326 HydrophobicContact CG1-CB 4.48Å; V6-H326 HydrophobicContact CG2-CB 4.09Å; T61-H326 PolarHBondContact O-CE1 3.46Å; T61-H326 PolarHBondContact O-ND1 3.44Å; Y62-H326 HydrophobicContact CD1-CB 4.48Å; D63-H326 IonicContact OD2-CD2 3.47Å; S322-H326 WeakPolarHBondContact O-CB 3.34Å; S322-H326 PolarHBondContact O-N 2.72Å; H326-L328 VanDerWaalsContact C-N 3.3Å; H326-L328 PolarHBondContact O-N 2.69Å
327R90.7Very high70.7Confident175 Ų17582.9 Ų82.966%0.6640%0.403SS*.THydrogen-bonded Turntrans-78.5-6.2175.8-65.4171.9-145.8-1461.3114S323 R324 L325 K329S323-R327 WeakPolarHBondContact O-CD 3.35Å; S323-R327 VanDerWaalsContact O-CG 3.25Å; S323-R327 WeakPolarHBondContact O-CG 3.36Å; S323-R327 PolarHBondContact O-NE 3.08Å; S323-R327 PolarHBondContact OG-NH2 3.47Å; R324-R327 PolarHBondContact O-N 3.04Å; L325-R327 PolarHBondContact O-N 3.41Å; R327-K329 PolarHBondContact O-N 2.95Å
328L86.1Confident68.2Low31 Ų3186.8 Ų86.816%0.16243%0.428CS..  trans-76.294.6-176.1-63.4-169.8000113.3L4 L267 L270 Q271 L325 H326L4-L328 HydrophobicContact CD2-CB 4.03Å; L4-L328 HydrophobicContact CD2-CD1 4.28Å; L267-L328 HydrophobicContact CD2-CD1 4.03Å; L267-L328 HydrophobicContact CD2-CD2 4.28Å; L267-L328 HydrophobicContact CD2-CG 4.27Å; L270-L328 HydrophobicContact CB-CD1 3.55Å; Q271-L328 HydrophobicContact CG-CD1 4.12Å; Q271-L328 HydrophobicContact CG-CD2 3.64Å; Q271-L328 HydrophobicContact CG-CG 4.49Å; L325-L328 HydrophobicContact CD2-CD1 4.18Å; L325-L328 VanDerWaalsContact O-CB 3.28Å; L325-L328 WeakPolarHBondContact O-CB 3.41Å; L325-L328 WeakPolarHBondContact O-CG 3.39Å; L325-L328 PolarHBondContact O-N 3.38Å; H326-L328 VanDerWaalsContact C-N 3.3Å; H326-L328 PolarHBondContact O-N 2.69Å
329K63.3Low65.3Low192 Ų19292.9 Ų92.984%0.83547%0.471SS*.  trans-87.6111.2161.7-64.3-177.1179.8-179.70109.5R327 T331R327-K329 PolarHBondContact O-N 2.95Å; K329-T331 VanDerWaalsContact C-N 3.33Å; K329-T331 PolarHBondContact O-N 2.81Å
330R54.1Low62.2Low75 Ų7596.3 Ų96.328%0.28351%0.506SS..  trans-66.787.4171.5-86-162.2-179.8159.1-9.2110.4F2 L269 L270 K332F2-R330 HydrophobicContact CD1-CB 4.26Å; F2-R330 VanDerWaalsContact CD1-CD 3.4Å; F2-R330 HydrophobicContact CD1-CG 3.78Å; F2-R330 HydrophobicContact CE1-CG 4.36Å; F2-R330 HydrophobicContact CG-CG 4.48Å; F2-R330 VanDerWaalsContact CG-NH1 3.28Å; L269-R330 PolarHBondContact O-NH2 3.3Å; L270-R330 WeakPolarHBondContact O-CD 3.48Å; L270-R330 WeakPolarHBondContact O-CG 3.4Å; L270-R330 PolarHBondContact O-NE 2.83Å; R330-K332 PolarHBondContact O-N 3.36Å
331T45Very low59.6Low110 Ų110100.9 Ų100.968%0.67553%0.527SS*.  trans-57129.9170.6-56.60000110.4K329 K333K329-T331 VanDerWaalsContact C-N 3.33Å; K329-T331 PolarHBondContact O-N 2.81Å; T331-K333 VanDerWaalsContact C-N 3.31Å; T331-K333 HydrophobicContact CG2-CG 4.42Å; T331-K333 PolarHBondContact O-N 2.89Å
332K38.6Very low57.1Low194 Ų194109 Ų10984%0.84357%0.565SS**SBendtrans-67.979.2-179.1-71.4-177.9179.2174.70112.4R330R330-K332 PolarHBondContact O-N 3.36Å
333K38.5Very low54.6Low177 Ų177114.3 Ų114.377%0.7760%0.602SS**  trans-135.172.1170.8-70.5-173.9178.8178.80110.6T331 P335T331-K333 VanDerWaalsContact C-N 3.31Å; T331-K333 HydrophobicContact CG2-CG 4.42Å; T331-K333 PolarHBondContact O-N 2.89Å; K333-P335 VanDerWaalsContact O-CD 3.23Å; K333-P335 WeakPolarHBondContact O-CD 3.49Å
334S35.4Very low52Low90 Ų90120.1 Ų120.163%0.62964%0.642SS**  trans-70.1111.5177.244.60000111.3F336S334-F336 PolarHBondContact O-N 3.09Å
335P31.2Very low49.3Very low88 Ų88117.5 Ų117.557%0.57165%0.654SS**THydrogen-bonded Turntrans-85.145.9-175.411.26.7000111.7K274 K333K274-P335 WeakPolarHBondContact CE-O 3.29Å; K274-P335 PolarHBondContact NZ-O 2.91Å; K333-P335 VanDerWaalsContact O-CD 3.23Å; K333-P335 WeakPolarHBondContact O-CD 3.49Å
336F37.3Very low46.5Very low175 Ų175121.2 Ų121.277%0.76869%0.693SS**THydrogen-bonded Turntrans-145.210.1-176.7-101-70.7000114.1K274 S334 V338K274-F336 HydrophobicContact CD-CE2 4.13Å; S334-F336 PolarHBondContact O-N 3.09Å; F336-V338 PolarHBondContact O-N 3.49Å
337A34.2Very low43.8Very low83 Ų83126.6 Ų126.669%0.68672%0.718SS**  trans-97.841.5178.600000113.3
338V36.3Very low41.4Very low140 Ų140123.9 Ų123.985%0.84873%0.726SS**  trans-138.291175.1-176.10000110.7F336F336-V338 PolarHBondContact O-N 3.49Å
339S31.7Very low39.3Very low128 Ų128127.1 Ų127.190%0.89575%0.752SS**SBendtrans167.197.5146.3-173.90000107.1
340G29.4Very low38Very low71 Ų71122.6 Ų122.673%0.73274%0.743SS**  trans168.416.4-169.300000116.7
341Q39.1Very low37.3Very low187 Ų187126.5 Ų126.587%0.87477%0.769SS**  trans-111.4101.6166.4-76.9-174.1-15.600108.9
342H40Very low36.9Very low181 Ų181127.3 Ų127.384%0.83877%0.77SS**  trans-72.5116152.7-69.2-80.4000106.2
343S41.1Very low36.8Very low110 Ų110128.4 Ų128.477%0.76977%0.769SS**  79.66176.6-57.20000114
344S40.5Very low36.9Very low126 Ų126124.4 Ų124.488%0.88176%0.763SS**  trans-146.4147.9135.255.80000107.3
345G36.3Very low37Very low71 Ų71130.9 Ų130.973%0.73277%0.774SS**  cis136.97610.500000107.1
346G35.9Very low37.2Very low79 Ų79138.4 Ų138.481%0.81479%0.791SS**  trans-152.575.7-167.700000109.9
347E36.2Very low36.8Very low175 Ų175140.1 Ų140.182%0.81880%0.798SS**  trans-82.9-177.6178.259.8-138.865.500113.2
348S40.3Very low37Very low119 Ų119143.1 Ų143.183%0.83281%0.808SS**  trans77.5147.1-170.680.70000115.3
349S40.3Very low36.7Very low99 Ų99147.4 Ų147.469%0.69281%0.809SS**  cis-168163.8-23.2-179.70000108.3
350C36.1Very low36.8Very low97 Ų97152.6 Ų152.666%0.65581%0.808SS**  trans39.6131.7156.655.70000120.3
351D40Very low37Very low156 Ų156154.9 Ų154.983%0.83481%0.813SS**  cis-152.9159.55.4-96.6-31.6000113.5
352D35.8Very low36.9Very low128 Ų128151 Ų15168%0.68481%0.814SS**  trans-36.7125.8156175.121.7000114.4
353R37.9Very low36.8Very low216 Ų216147.7 Ų147.782%0.81581%0.81SS**  179.5148.1120.3-94.4155-170.6-164.41.4116.8
354S39.5Very low36.4Very low94 Ų94150.4 Ų150.466%0.65782%0.817SS**  trans70.299.2147.9-69.20000121.4
355R37.4Very low36.1Very low226 Ų226149.8 Ų149.885%0.85381%0.81SS**  42.5104119.7-54.5176.1-160.4-156.35.6118.1
356R35.1Very low35.9Very low245 Ų245154.7 Ų154.793%0.92582%0.819SS**  172.1135.2111.1-91.6160.8-166.9169.16111.8
357F30.7Very low35.8Very low212 Ų212156.8 Ų156.893%0.9382%0.82SS**  trans-73.2129.9154.6-88.4-109.8000109.1
358V36.7Very low35.8Very low145 Ų145155.1 Ų155.188%0.87982%0.822SS**  trans-175.6147.1138.5138.60000110
359R30.4Very low35.7Very low231 Ų231155.6 Ų155.687%0.87282%0.82SS**  trans-61.7152.5178.1-59.6163.5167160.1-8.1112.8
360R34.5Very low35.3Very low236 Ų236154.6 Ų154.689%0.89181%0.813SS**  -175.4156.7115.7-102.7163.8-174.7-174.21.5114.9
361S34.1Very low35.5Very low119 Ų119155.2 Ų155.283%0.83282%0.818SS**  trans61.995.4154.1-55.40000120.7
362A37Very low35.4Very low107 Ų107150.9 Ų150.988%0.88480%0.8SS**  trans-137.9140.1132.200000107.2
363S36.6Very low35.8Very low110 Ų110152 Ų15277%0.76980%0.801SS**  trans-119.3109.6-168.253.10000112.3
364D33.8Very low36.1Very low168 Ų168150.2 Ų150.290%0.89880%0.802SS**  trans-150.8103.4165.7-94.1-41000109.5
365P33.1Very low36.5Very low113 Ų113149.7 Ų149.773%0.73480%0.798SS**  trans-107.7103.417133.9-22.1000110.9
366D33.2Very low36.7Very low173 Ų173144.3 Ų144.393%0.92579%0.794SS**  trans-17956.4153-97.4-18.9000113.8
367C33.8Very low37Very low124 Ų124139.5 Ų139.584%0.83879%0.787SS**  trans-156.658.4164.9-149.80000114.6
368T36.4Very low37.7Very low139 Ų139135 Ų13585%0.85378%0.777SS**  trans-127.284.8170.255.80000110.9S370T368-S370 PolarHBondContact O-N 3.19Å
369T36.8Very low38.2Very low130 Ų130134 Ų13480%0.79877%0.77SS**  trans-57.1129163.613.80000109.2S371T369-S371 PolarHBondContact O-N 3.45Å
370S32.4Very low39.2Very low77 Ų77129.2 Ų129.254%0.53876%0.761SS.*  trans-64135-168.8-178.40000112.4T368 S372T368-S370 PolarHBondContact O-N 3.19Å; S370-S372 WeakPolarHBondContact CB-OG 3.37Å; S370-S372 PolarHBondContact O-N 3.06Å; S370-S372 PolarHBondContact OG-N 2.86Å; S370-S372 PolarHBondContact OG-OG 2.63Å
371S39.9Very low39.4Very low110 Ų110127.2 Ų127.277%0.76976%0.759SS**G310 helixtrans-67.23.5176.2-1670000114.1T369T369-S371 PolarHBondContact O-N 3.45Å
372S39.3Very low40.1Very low65 Ų65129.1 Ų129.146%0.45576%0.759SS.*G310 helixtrans-78.4-14178.554.20000114.6S370 Q374 S375S370-S372 WeakPolarHBondContact CB-OG 3.37Å; S370-S372 PolarHBondContact O-N 3.06Å; S370-S372 PolarHBondContact OG-N 2.86Å; S370-S372 PolarHBondContact OG-OG 2.63Å; S372-Q374 VanDerWaalsContact C-N 3.26Å; S372-Q374 PolarHBondContact O-N 2.7Å; S372-S375 PolarHBondContact O-OG 2.95Å
373E43.7Very low40.2Very low152 Ų152126.7 Ų126.771%0.7175%0.745SS**G310 helixtrans-81.13.3-177.2-62.4-167.5131.800114.4
374Q44.9Very low40.4Very low179 Ų179124.7 Ų124.784%0.83674%0.735SS**G310 helixtrans-106.90.2179.3-65.1-163.7-4.800114.9S372S372-Q374 VanDerWaalsContact C-N 3.26Å; S372-Q374 PolarHBondContact O-N 2.7Å
375S46.2Very low41Very low82 Ų82122.6 Ų122.657%0.57373%0.73SS**  trans-109.69.4-170.354.50000115.7S372 D377S372-S375 PolarHBondContact O-OG 2.95Å; S375-D377 PolarHBondContact O-N 3.31Å
376C42.6Very low41.8Very low114 Ų114120.9 Ų120.977%0.7773%0.733SS**  trans-101.156.8-170.3-64.20000113.8
377D41.4Very low42.5Very low144 Ų144118.2 Ų118.277%0.7772%0.723SS**  trans-134.923.8174-124.8-23.2000112.9S375 V379S375-D377 PolarHBondContact O-N 3.31Å; D377-V379 PolarHBondContact O-N 3.3Å
378T45.9Very low42.9Very low117 Ų117117.9 Ų117.972%0.71872%0.719SS**  trans-81.195.5174.5-540000110.2I380T378-I380 HydrophobicContact CG2-CG1 4.33Å; T378-I380 PolarHBondContact O-N 2.9Å
379V46.1Very low43.1Very low123 Ų123120.9 Ų120.975%0.74572%0.716SS**  trans-69.399.7173.7-178.10000110.2D377 F381D377-V379 PolarHBondContact O-N 3.3Å; V379-F381 PolarHBondContact O-N 2.93Å
380I52Low43.3Very low131 Ų131123.9 Ų123.967%0.67272%0.718SS**  trans-80.8109.8170.5-58.5177.3000108.3T378 L382T378-I380 HydrophobicContact CG2-CG1 4.33Å; T378-I380 PolarHBondContact O-N 2.9Å; I380-L382 HydrophobicContact CG2-CD2 4.36Å; I380-L382 HydrophobicContact CG2-CG 4.37Å; I380-L382 PolarHBondContact O-N 3.08Å
381F38.2Very low43.9Very low194 Ų194125.5 Ų125.585%0.85172%0.724SS**  trans-74.789.3176.9-144.9-81.9000110.1V379 G383V379-F381 PolarHBondContact O-N 2.93Å; F381-G383 VanDerWaalsContact C-N 3.28Å; F381-G383 PolarHBondContact O-N 3.18Å
382L49Very low43.7Very low160 Ų160126.3 Ų126.384%0.83872%0.72SS**  trans-70.283.9173.7-72.5171.6000110I380I380-L382 HydrophobicContact CG2-CD2 4.36Å; I380-L382 HydrophobicContact CG2-CG 4.37Å; I380-L382 PolarHBondContact O-N 3.08Å
383G38.1Very low43.7Very low56 Ų56128.9 Ų128.958%0.57774%0.735SS**  trans-55144.2172.300000111.7F381F381-G383 VanDerWaalsContact C-N 3.28Å; F381-G383 PolarHBondContact O-N 3.18Å
384A42.1Very low43.8Very low68 Ų68127 Ų12756%0.56273%0.734SS**  trans-58.3134.3-17800000111G386 V387A384-G386 PolarHBondContact O-N 3.42Å; A384-V387 PolarHBondContact O-N 3.36Å
385P45Very low43.5Very low124 Ų124127 Ų12781%0.80574%0.737SS**THydrogen-bonded Turntrans-65.8103.5-176.526.6-34.2000110.2
386G51.1Low43.3Very low76 Ų76127.3 Ų127.378%0.78474%0.744SS**THydrogen-bonded Turntrans145.4-18.2-176.800000114.8A384 P388A384-G386 PolarHBondContact O-N 3.42Å; G386-P388 WeakPolarHBondContact O-CD 3.27Å
387V47Very low43.1Very low118 Ų118131.3 Ų131.372%0.71575%0.748SS**  trans-103.8111.6-177.8-167.80000111.4A384 Y389A384-V387 PolarHBondContact O-N 3.36Å; V387-Y389 PolarHBondContact O-N 3.45Å
388P43.2Very low42.9Very low117 Ų117132.1 Ų132.176%0.7675%0.753SS**  trans-78106.4176.630.4-32.8000111G386 K390G386-P388 WeakPolarHBondContact O-CD 3.27Å; P388-K390 PolarHBondContact O-N 3.29Å
389Y40.1Very low42.4Very low202 Ų202138.9 Ų138.979%0.79277%0.765SS**  trans-72.4111.1174.5-171.4-93000110.6V387 V391V387-Y389 PolarHBondContact O-N 3.45Å; Y389-V391 HydrophobicContact CD1-CG2 3.71Å; Y389-V391 HydrophobicContact CE1-CG2 3.87Å; Y389-V391 PolarHBondContact O-N 3.2Å
390K42Very low41.8Very low193 Ų193136.9 Ų136.984%0.83977%0.769SS**  trans-74.1108.1168.7-74.7-174.9175.9-178.10109.1P388P388-K390 PolarHBondContact O-N 3.29Å
391V43.4Very low41.1Very low110 Ų110136 Ų13667%0.66776%0.764SS**  trans-78.8123.9163.8-173.80000107.9Y389 P393Y389-V391 HydrophobicContact CD1-CG2 3.71Å; Y389-V391 HydrophobicContact CE1-CG2 3.87Å; Y389-V391 PolarHBondContact O-N 3.2Å; V391-P393 WeakPolarHBondContact O-CD 3.1Å
392D36Very low41Very low128 Ų128129.3 Ų129.368%0.68474%0.742SS**  trans-67.7123.8170.7-91-48.5000110.4T394D392-T394 PolarHBondContact O-N 3.09Å
393P39.2Very low40.3Very low118 Ų118126 Ų12677%0.76673%0.731SS**G310 helixtrans-704.5-172.4-22.735000116.4V391V391-P393 WeakPolarHBondContact O-CD 3.1Å
394T45.4Very low40.1Very low113 Ų113128.9 Ų128.969%0.69374%0.742SS**G310 helixtrans-86-16.2-163.351.70000115D392D392-T394 PolarHBondContact O-N 3.09Å
395M40.4Very low39.7Very low180 Ų180135.8 Ų135.889%0.88775%0.754SS**G310 helixtrans-96.49.5-172-74.6-69.3164.100115.5
396A41.6Very low39.1Very low88 Ų88135.9 Ų135.973%0.72774%0.743SS**  trans-126.958.6-170.100000114.5
397K37.8Very low38.4Very low197 Ų197139 Ų13986%0.85774%0.737SS**  trans-160.1100.8168.3-109.3163.4-172.8175.50112.8
398N37.2Very low37.8Very low162 Ų162141 Ų14187%0.86674%0.739SS**  trans-177.8110.3143.6-101.9-30.4000113.3
399R34.9Very low37.6Very low259 Ų259141.4 Ų141.498%0.97774%0.739SS**SBendtrans127.6122164.1-74.4169.9-175.1-153.31111.9
400G34.4Very low37.5Very low80 Ų80137.3 Ų137.383%0.82574%0.738SS**  trans129.673.6-177.800000112.5
401I37Very low37.3Very low113 Ų113133.9 Ų133.958%0.57974%0.735SS**  trans-88.8158177.4-76.5168.5000109.5S1054 T1055I401-S1054 WeakPolarHBondContact CG2-O 3.3Å; I401-T1055 WeakPolarHBondContact CG2-O 3.23Å
402S36Very low37.4Very low54 Ų54134.9 Ų134.938%0.37874%0.744SS.*  trans165.240.1177.4179.40000120.9E1053 S1054S402-E1053 VanDerWaalsContact OG-C 3.3Å; S402-E1053 VanDerWaalsContact OG-CA 3.28Å; S402-E1053 WeakPolarHBondContact OG-CA 3.35Å; S402-S1054 VanDerWaalsContact CB-N 3.27Å; S402-S1054 PolarHBondContact OG-N 3.05Å
403C33.7Very low37.3Very low91 Ų91133.9 Ų133.962%0.61575%0.747SS**  trans61.2153.6158.3-50.70000117.8S1054C403-S1054 PolarHBondContact SG-O 3.21Å; C403-S1054 VanDerWaalsContact SG-O 3.42Å
404S35Very low37.3Very low115 Ų115135.4 Ų135.480%0.80475%0.747SS**  cis-149.6165.716.9-45.70000112.4
405R33.7Very low36.9Very low213 Ų213136.2 Ų136.280%0.80475%0.751SS**  trans88.9109.4149.6-160.7168-165.4172.67.3120.3
406E33Very low36.6Very low127 Ų127134.2 Ų134.259%0.59375%0.75SS**  trans50.3140.3139-60.6-177.7103.800120.5
407Q34.8Very low36.1Very low140 Ų140134.2 Ų134.265%0.65475%0.75SS**  cis-159.7160.58.2-108.215826.600110.6
408Q34.3Very low36Very low160 Ų160131.6 Ų131.675%0.74875%0.751SS**  trans41.4114.3156.6-74.5156.2-38.300121.4
409T38.9Very low35.8Very low126 Ų126132.6 Ų132.677%0.77375%0.747SS**  70.8151.968.663.70000117.2
410P38.5Very low35.8Very low117 Ų117129.1 Ų129.176%0.7674%0.741SS**  cis-136.5-179.3-43.541-24000113.9
411P37.6Very low35.7Very low121 Ų121130.1 Ų130.179%0.78674%0.736SS**  trans-114.3166.3-178.440.8-32.9000116.7
412P46.3Very low35.6Very low131 Ų131130.8 Ų130.885%0.85175%0.745SS**  trans-105.9173.8172.939.9-33.6000115.3
413S34.8Very low35.6Very low106 Ų106133.3 Ų133.374%0.74176%0.763SS**  trans-144.7172.8-178.360.90000112.1
414I38.1Very low35.7Very low151 Ų151133.3 Ų133.377%0.77476%0.764SS**  trans152122.4146-82.9162.4000115.6
415V36.1Very low35.7Very low129 Ų129134.6 Ų134.678%0.78276%0.762SS**  trans54.7154.4137.2-167.40000118.2
416T34.3Very low35.6Very low139 Ų139134.5 Ų134.585%0.85377%0.767SS**  cis-144.4-168.239.8-35.80000114.4
417A33Very low35.5Very low88 Ų88135.8 Ų135.873%0.72778%0.778SS**  trans-158.8138-160.100000115.2
418T33.9Very low35.6Very low142 Ų142134 Ų13487%0.87178%0.778SS**  trans-160.3154.9168.438.90000110.3
419K33.7Very low35.6Very low183 Ų183134.7 Ų134.780%0.79678%0.781SS**  cis161.6136.9-23.1-116.7-170.8179.2-177.60106.2
420H35.6Very low35.2Very low185 Ų185138.9 Ų138.986%0.85678%0.783SS**  trans153.2171.6145.6-85-71.5000113.9
421S32.1Very low35Very low102 Ų102139.6 Ų139.671%0.71379%0.788SS**  trans-155.9-169.3-145.557.20000116
422V35.1Very low34.7Very low126 Ų126138.6 Ų138.676%0.76478%0.784SS**  trans98.8130.3176.3-178.40000113.5
423S34.6Very low34.1Very low107 Ų107141 Ų14175%0.74878%0.783SS**  cis104.5142.814.5-60.90000114.9
424S37Very low33.9Very low91 Ų91142.9 Ų142.964%0.63679%0.785SS**  cis-170161.3-9.3450000112.9
425D34.4Very low33.4Very low143 Ų143143.4 Ų143.477%0.76579%0.786SS**  trans57.9143155.5-53-40.4000124.7
426F31.3Very low33.3Very low210 Ų210142.1 Ų142.192%0.92178%0.778SS**  -174.4148.6114.6-112.7-82.9000113.7
427L31.2Very low33.2Very low155 Ų155145.4 Ų145.481%0.81278%0.78SS**  trans-131-176.3-178.6-96.7175.3000109.1
428P36.3Very low33.1Very low103 Ų103145.2 Ų145.267%0.66979%0.787SS**  cis-128-139.521.531.8-4.4000112.5
429Q34Very low32.9Very low174 Ų174147.5 Ų147.581%0.81379%0.787SS**  cis-160.8-16010.5-148.4168.60.300112.1
430R31.3Very low32.8Very low213 Ų213145.3 Ų145.380%0.80479%0.789SS**  trans-145.7174.4173.1-69.2-174.5178.9173.3-0.7109.8
431P35.2Very low32.3Very low133 Ų133145 Ų14586%0.86479%0.788SS**  -139.8178.8103.839.3-27.9000114.4
432S31.4Very low32.3Very low100 Ų100148 Ų14870%0.69979%0.791SS**  trans-155.9127.6-178.955.90000113.1
433E33.7Very low31.9Very low180 Ų180150.5 Ų150.584%0.84179%0.794SS**  trans-151.9160.3174.1-83.4-164119.700107.9
434L29.8Very low31.8Very low147 Ų147152.4 Ų152.477%0.7779%0.791SS**  cis-147-168.12.9-127.1166.4000109.6
435M27.7Very low31.3Very low162 Ų162153.7 Ų153.780%0.79880%0.8SS**  trans-131.2161.3-158-129.5171.465.600115.3
436V33.9Very low31.2Very low101 Ų101158 Ų15861%0.61281%0.806SS**  trans87.4127.6146.2162.80000122
437K32.3Very low31Very low208 Ų208153.2 Ų153.290%0.90480%0.798SS**  trans66.1129.5156.7-76.6161.9-167.7174.10121
438G31.7Very low31.2Very low84 Ų84153.7 Ų153.787%0.86680%0.8SS**  trans173.1110.4163.300000111.8
439H29.2Very low31Very low191 Ų191155.1 Ų155.188%0.88480%0.802SS**  trans-88.2168.2-169.5-153.970.6000113.4
440V30.5Very low30.8Very low136 Ų136156.7 Ų156.782%0.82481%0.806SS**  trans101.7134.6168.5-1750000116.7
441Q26.5Very low30.9Very low178 Ų178155.7 Ų155.783%0.83281%0.807SS**  trans-110.4123.4-173.1168.4-175.5-11.500109.5
442E30.5Very low30.6Very low167 Ų167157.8 Ų157.878%0.7880%0.803SS**  trans-130.5133.2167.5-169.5172.3-159.300110.3
443Q26.8Very low30.4Very low177 Ų177160.6 Ų160.683%0.82781%0.809SS**  trans-83.8121.8176.7-62.4174.3-78.300109.6
444Q32.3Very low30.1Very low148 Ų148156.4 Ų156.469%0.69280%0.796SS**  trans-142.998.5161.3-121.5171.985.300112.4
445S26.6Very low30Very low118 Ų118155 Ų15583%0.82579%0.793SS**  trans-57.7137.4166.751.20000111.3
446R32.4Very low30.1Very low233 Ų233154.1 Ų154.188%0.87979%0.787SS**  trans-119.4130.6159.6-73-169.5173.3-167.1-1.9110
447S27.4Very low29.9Very low109 Ų109157.4 Ų157.476%0.76280%0.796SS**  trans-85.9147.1-177.947.90000111.8
448I36.7Very low29.9Very low166 Ų166158 Ų15885%0.85179%0.793SS**  trans-122.6142.4157.6-60.7-179.8000106.3K450I448-K450 PolarHBondContact O-N 2.89Å
449D31.2Very low30.1Very low132 Ų132161.4 Ų161.471%0.70679%0.789SS**  trans-72.5124.1-150.5-70.7-57.2000116.2K451D449-K451 HydrophobicContact CB-CG 4.34Å; D449-K451 PolarHBondContact O-N 2.77Å; D449-K451 VanDerWaalsContact O-N 3.09Å
450K29Very low30.2Very low208 Ų208160.1 Ų160.190%0.90479%0.789SS**  trans-78.383.6163.1-69.8-173.9176.2-175.70110.2I448 K452I448-K450 PolarHBondContact O-N 2.89Å; K450-K452 PolarHBondContact O-N 3.25Å
451K34.1Very low30.3Very low191 Ų191156.6 Ų156.683%0.8378%0.78SS**  trans-72.774.6173.8-76.7-172.8177.5176.90112.9D449 L453D449-K451 HydrophobicContact CB-CG 4.34Å; D449-K451 PolarHBondContact O-N 2.77Å; D449-K451 VanDerWaalsContact O-N 3.09Å; K451-L453 PolarHBondContact O-N 3.15Å; K451-L453 VanDerWaalsContact O-N 3.14Å
452K28.1Very low30.6Very low178 Ų178154.1 Ų154.177%0.77478%0.78SS**  trans35.266143.5-158.5-168.9-178-171.70116.5K450 V454K450-K452 PolarHBondContact O-N 3.25Å; K452-V454 HydrophobicContact CD-CG2 4.19Å; K452-V454 HydrophobicContact CG-CG2 3.97Å; K452-V454 PolarHBondContact O-N 3.37Å; K452-V454 VanDerWaalsContact O-N 3.14Å
453L28.2Very low30.5Very low158 Ų158155.6 Ų155.683%0.82778%0.783SS**  trans-69.2106.2160.5-159.7160.9000107.4K451 V455K451-L453 PolarHBondContact O-N 3.15Å; K451-L453 VanDerWaalsContact O-N 3.14Å; L453-V455 PolarHBondContact O-N 2.88Å; L453-V455 VanDerWaalsContact O-N 3.16Å
454V28Very low30.8Very low92 Ų92151.9 Ų151.956%0.55878%0.783SS**  trans-77.2102.9-176.4178.70000109.2K452 E456K452-V454 HydrophobicContact CD-CG2 4.19Å; K452-V454 HydrophobicContact CG-CG2 3.97Å; K452-V454 PolarHBondContact O-N 3.37Å; K452-V454 VanDerWaalsContact O-N 3.14Å; V454-E456 HydrophobicContact CG1-CG 4.21Å; V454-E456 PolarHBondContact O-N 2.82Å
455V27.8Very low30.8Very low119 Ų119155.2 Ų155.272%0.72179%0.789SS**  trans-73.7102.6161.3179.70000107.2L453 E457L453-V455 PolarHBondContact O-N 2.88Å; L453-V455 VanDerWaalsContact O-N 3.16Å; V455-E457 PolarHBondContact O-N 3.13Å
456E29.6Very low31.2Very low142 Ų142156 Ų15666%0.66479%0.791SS**  trans-7196.2163.9-78.6-156.8138.900109.1V454 W458V454-E456 HydrophobicContact CG1-CG 4.21Å; V454-E456 PolarHBondContact O-N 2.82Å; E456-W458 PolarHBondContact O-N 2.92Å
457E28.4Very low31.3Very low171 Ų171154.3 Ų154.380%0.79979%0.791SS**  trans-75.8104.8168.7-172.2167.7-141.600108.6V455 I459V455-E457 PolarHBondContact O-N 3.13Å; E457-I459 PolarHBondContact O-N 2.73Å; E457-I459 VanDerWaalsContact O-N 3.12Å
458W33.7Very low31.6Very low221 Ų221153.6 Ų153.684%0.83779%0.791SS**  trans-72.3105.8-175.8-82.270.9000111.3E456E456-W458 PolarHBondContact O-N 2.92Å
459I35.3Very low31.5Very low155 Ų155151.4 Ų151.480%0.79579%0.788SS**PPolyproline II helixtrans-73.3128.7174.3-61.6172.8000109.7E457 G461E457-I459 PolarHBondContact O-N 2.73Å; E457-I459 VanDerWaalsContact O-N 3.12Å; I459-G461 PolarHBondContact O-N 2.92Å
460D32.2Very low31.5Very low163 Ų163155 Ų15587%0.87280%0.797SS**PPolyproline II helixtrans-59.3117.5175.8-100.9-39.2000111.9
461G32.4Very low31.8Very low63 Ų63151.7 Ų151.765%0.64979%0.794SS**PPolyproline II helixtrans-73.5137.9176.800000112.7I459I459-G461 PolarHBondContact O-N 2.92Å
462P32.9Very low31.6Very low126 Ų126148.1 Ų148.182%0.81879%0.788SS**PPolyproline II helixtrans-72.9143.8-17228.7-35.4000113.8A464P462-A464 PolarHBondContact O-N 3.27Å
463K27.7Very low32Very low197 Ų197146.4 Ų146.486%0.85779%0.788SS**  trans-67.697.9177-64.9179178.8-178.60111.7
464A33.6Very low32.1Very low99 Ų99146.8 Ų146.882%0.81879%0.789SS**  trans-79.9137.6171.700000111.9P462P462-A464 PolarHBondContact O-N 3.27Å
465R32.3Very low32.3Very low219 Ų219145.6 Ų145.683%0.82680%0.795SS**  trans-113.2141.2164.2-51.8-175.5-156.1-141.86.1108.3F467R465-F467 PolarHBondContact O-N 3.03Å
466P34.9Very low32.7Very low133 Ų133144.1 Ų144.186%0.86479%0.79SS**  trans-74.6125173.530.1-32.6000110.9
467F33.3Very low33.4Very low199 Ų199142.1 Ų142.187%0.87379%0.792SS**  trans-121.6113.5159.1-96.9-79.9000107.4R465R465-F467 PolarHBondContact O-N 3.03Å
468A35Very low34Very low94 Ų94138 Ų13878%0.77778%0.782SS**PPolyproline II helixtrans-99.7123.3176.500000110.1
469P35.2Very low34.6Very low120 Ų120131.9 Ų131.978%0.77977%0.769SS**PPolyproline II helixtrans-75.7140.5172.931.2-33.1000110.7
470K29.4Very low35.1Very low206 Ų206134 Ų13490%0.89677%0.767SS**PPolyproline II helixtrans-78.8132170.4-66.3-179.8179.7178.80109.8
471V35.5Very low36.1Very low140 Ų140131.6 Ų131.685%0.84875%0.754SS**  trans-131.2137158.2-177.90000107.4
472T30.8Very low37.5Very low115 Ų115133.7 Ų133.771%0.70675%0.75SS**  trans-108.6134.4-179.447.50000110.3
473D35.1Very low38.7Very low143 Ų143133.5 Ų133.577%0.76574%0.739SS**  trans-169.6116.9140.1-87.8-29.6000106.5
474I31.3Very low40.4Very low165 Ų165128 Ų12885%0.84672%0.717SS**  65.683.677.6-59174.8000111.1
475G31.9Very low41.9Very low67 Ų67129 Ų12969%0.69170%0.704SS**  trans165.3138.5172.800000114
476S36.2Very low43.5Very low88 Ų88121 Ų12162%0.61568%0.682SS**  trans62.554.8157.4-52.80000119.5S478 T479S476-S478 PolarHBondContact O-N 2.79Å; S476-T479 PolarHBondContact O-OG1 2.77Å
477S44.2Very low44.8Very low100 Ų100120.2 Ų120.270%0.69967%0.665SS**Hα-helixtrans-59.5-29.6169.2-560000114.3L481S477-L481 PolarHBondContact O-N 3.39Å
478S42.3Very low46.5Very low86 Ų86118.1 Ų118.160%0.60165%0.651SS**Hα-helixtrans-71.9-44.6-174.5-169.30000113.3S476 R480 L481 L482S476-S478 PolarHBondContact O-N 2.79Å; S478-R480 VanDerWaalsContact C-N 3.31Å; S478-R480 PolarHBondContact O-N 3.04Å; S478-L481 PolarHBondContact O-N 3.1Å; S478-L482 PolarHBondContact O-N 3.46Å; S478-L482 VanDerWaalsContact O-N 3.12Å
479T45.1Very low48.3Very low91 Ų91118.1 Ų118.156%0.55864%0.636SS**Hα-helixtrans-67-34.2176.9530000111.9S476 L481 L482 M483S476-T479 PolarHBondContact O-OG1 2.77Å; T479-L481 VanDerWaalsContact C-N 3.34Å; T479-L481 PolarHBondContact O-N 3.48Å; T479-L482 PolarHBondContact O-N 3.22Å; T479-M483 WeakPolarHBondContact O-CB 3.4Å; T479-M483 PolarHBondContact O-N 2.71Å
480R46.7Very low49.6Very low200 Ų200119.5 Ų119.576%0.75563%0.625SS**Hα-helixtrans-64.7-37176.3-161.7173.4-174.9172.51.6112.3S478 E484S478-R480 VanDerWaalsContact C-N 3.31Å; S478-R480 PolarHBondContact O-N 3.04Å; R480-E484 PolarHBondContact O-N 3.09Å
481L52.5Low51.4Low112 Ų112113.7 Ų113.759%0.58661%0.607SS**Hα-helixtrans-68.7-44.3173.9-84.1166.1000112.8S477 S478 T479 M483 E484 Q485S477-L481 PolarHBondContact O-N 3.39Å; S478-L481 PolarHBondContact O-N 3.1Å; T479-L481 VanDerWaalsContact C-N 3.34Å; T479-L481 PolarHBondContact O-N 3.48Å; L481-M483 VanDerWaalsContact C-N 3.29Å; L481-M483 PolarHBondContact O-N 3.49Å; L481-E484 WeakPolarHBondContact O-CB 3.36Å; L481-E484 PolarHBondContact O-N 3.02Å; L481-Q485 WeakPolarHBondContact O-CG 3.47Å; L481-Q485 PolarHBondContact O-N 2.95Å
482L61.4Low53.1Low108 Ų108112.5 Ų112.557%0.56559%0.59SS**Hα-helixtrans-62.5-36.8174.9-74.6166.6000112S478 T479 Q485 S486S478-L482 PolarHBondContact O-N 3.46Å; S478-L482 VanDerWaalsContact O-N 3.12Å; T479-L482 PolarHBondContact O-N 3.22Å; L482-Q485 PolarHBondContact O-N 3.33Å; L482-S486 VanDerWaalsContact O-CB 3.29Å; L482-S486 WeakPolarHBondContact O-CB 3.45Å; L482-S486 PolarHBondContact O-N 3.08Å
483M58.4Low55Low121 Ų121113.2 Ų113.260%0.59659%0.585SS**Hα-helixtrans-70.6-36.9175.9-159.4-177-161.200112.4T479 L481 K487T479-M483 WeakPolarHBondContact O-CB 3.4Å; T479-M483 PolarHBondContact O-N 2.71Å; L481-M483 VanDerWaalsContact C-N 3.29Å; L481-M483 PolarHBondContact O-N 3.49Å; M483-K487 WeakPolarHBondContact O-CG 3.43Å; M483-K487 PolarHBondContact O-N 3.39Å
484E62.7Low56.6Low82 Ų82114.2 Ų114.238%0.38358%0.579SS.*Hα-helixtrans-59.6-49.9169.5-102-71.6115.900111.7R480 L481 S486 K487 R488R480-E484 PolarHBondContact O-N 3.09Å; L481-E484 WeakPolarHBondContact O-CB 3.36Å; L481-E484 PolarHBondContact O-N 3.02Å; E484-S486 PolarHBondContact O-N 2.97Å; E484-K487 PolarHBondContact O-N 2.88Å; E484-R488 WeakPolarHBondContact O-CG 3.32Å; E484-R488 PolarHBondContact O-N 3.09Å; E484-R488 IonicContact OE2-CZ 3.2Å; E484-R488 IonicContact OE2-NE 2.79Å; E484-R488 PolarHBondContact OE2-NE 3.01Å; E484-R488 IonicContact OE2-NH2 2.73Å; E484-R488 PolarHBondContact OE2-NH2 3.2Å
485Q65.3Low58.3Low119 Ų119110.2 Ų110.256%0.55656%0.558SS**Hα-helixtrans-61.3-44.8177.5-72.7178-21.200111.5L481 L482 K487 R488 E489L481-Q485 WeakPolarHBondContact O-CG 3.47Å; L481-Q485 PolarHBondContact O-N 2.95Å; L482-Q485 PolarHBondContact O-N 3.33Å; Q485-K487 VanDerWaalsContact C-N 3.25Å; Q485-K487 PolarHBondContact O-N 3.01Å; Q485-R488 PolarHBondContact O-N 2.95Å; Q485-E489 PolarHBondContact O-N 3.41Å
486S66.4Low60.1Low53 Ų53109.7 Ų109.737%0.37155%0.547SS..Hα-helixtrans-62.1-27.9175.9-177.30000113.8L482 E484 R490L482-S486 VanDerWaalsContact O-CB 3.29Å; L482-S486 WeakPolarHBondContact O-CB 3.45Å; L482-S486 PolarHBondContact O-N 3.08Å; E484-S486 PolarHBondContact O-N 2.97Å; S486-R490 PolarHBondContact O-NE 2.88Å; S486-R490 PolarHBondContact OG-NH2 2.98Å
487K61.7Low61.8Low115 Ų115108.5 Ų108.550%0.554%0.536SS..Hα-helixtrans-76-46.8171-75.7-179.3177.2-169.40111.6M483 E484 Q485 E489 R490 V491M483-K487 WeakPolarHBondContact O-CG 3.43Å; M483-K487 PolarHBondContact O-N 3.39Å; E484-K487 PolarHBondContact O-N 2.88Å; Q485-K487 VanDerWaalsContact C-N 3.25Å; Q485-K487 PolarHBondContact O-N 3.01Å; K487-E489 VanDerWaalsContact C-N 3.35Å; K487-E489 PolarHBondContact O-N 2.92Å; K487-R490 PolarHBondContact O-N 3.41Å; K487-V491 WeakPolarHBondContact O-CG2 3.27Å; K487-V491 PolarHBondContact O-N 2.94Å
488R69.6Low62.8Low155 Ų155107.6 Ų107.659%0.58552%0.521SS*.Hα-helixtrans-59.8-41.9179.6-70.7171.7-174-107.6-3.4112.5E484 Q485 V491 K492E484-R488 WeakPolarHBondContact O-CG 3.32Å; E484-R488 PolarHBondContact O-N 3.09Å; E484-R488 IonicContact OE2-CZ 3.2Å; E484-R488 IonicContact OE2-NE 2.79Å; E484-R488 PolarHBondContact OE2-NE 3.01Å; E484-R488 IonicContact OE2-NH2 2.73Å; E484-R488 PolarHBondContact OE2-NH2 3.2Å; Q485-R488 PolarHBondContact O-N 2.95Å; R488-V491 PolarHBondContact O-N 3.38Å; R488-K492 PolarHBondContact O-N 3.47Å
489E71.7Confident63.8Low95 Ų95109.1 Ų109.144%0.44452%0.518SS..Hα-helixtrans-71.3-33.6179.5-128.158.8-156.700112.5Q485 K487 K492 Q493Q485-E489 PolarHBondContact O-N 3.41Å; K487-E489 VanDerWaalsContact C-N 3.35Å; K487-E489 PolarHBondContact O-N 2.92Å; E489-K492 PolarHBondContact O-N 2.82Å; E489-K492 VanDerWaalsContact OE1-CD 3.24Å; E489-K492 WeakPolarHBondContact OE1-CD 3.44Å; E489-K492 IonicContact OE1-NZ 3.91Å; E489-K492 PolarHBondContact OE1-NZ 2.94Å; E489-K492 IonicContact OE2-NZ 2.62Å; E489-K492 PolarHBondContact OE2-NZ 2.96Å; E489-Q493 WeakPolarHBondContact O-CG 3.35Å; E489-Q493 PolarHBondContact O-N 3.41Å
490R63Low64.8Low149 Ų149112.4 Ų112.456%0.56253%0.525SS*.Hα-helixtrans-65.5-39.6169.8-84.9-178.7-83.1-172.6-11.5112.7S486 K487 Q493 W494S486-R490 PolarHBondContact O-NE 2.88Å; S486-R490 PolarHBondContact OG-NH2 2.98Å; K487-R490 PolarHBondContact O-N 3.41Å; R490-Q493 PolarHBondContact O-N 3.3Å; R490-W494 WeakPolarHBondContact O-CB 3.44Å; R490-W494 PolarHBondContact O-N 3Å
491V66.5Low65.3Low83 Ų83107.2 Ų107.250%0.50351%0.509SS..Hα-helixtrans-64.8-42.3174.6172.30000111.2K487 R488 W494 I495K487-V491 WeakPolarHBondContact O-CG2 3.27Å; K487-V491 PolarHBondContact O-N 2.94Å; R488-V491 PolarHBondContact O-N 3.38Å; V491-W494 PolarHBondContact O-N 3.35Å; V491-I495 HydrophobicContact CG1-CD1 3.89Å; V491-I495 VanDerWaalsContact O-CG1 3.32Å; V491-I495 WeakPolarHBondContact O-CG1 3.31Å; V491-I495 PolarHBondContact O-N 3.16Å
492K71.4Confident64.9Low116 Ų116111.3 Ų111.350%0.50452%0.517SS..Hα-helixtrans-59.6-46.8172.4-73169.8178.71650112.3R488 E489 W494 I495 A496R488-K492 PolarHBondContact O-N 3.47Å; E489-K492 PolarHBondContact O-N 2.82Å; E489-K492 VanDerWaalsContact OE1-CD 3.24Å; E489-K492 WeakPolarHBondContact OE1-CD 3.44Å; E489-K492 IonicContact OE1-NZ 3.91Å; E489-K492 PolarHBondContact OE1-NZ 2.94Å; E489-K492 IonicContact OE2-NZ 2.62Å; E489-K492 PolarHBondContact OE2-NZ 2.96Å; K492-W494 VanDerWaalsContact C-N 3.34Å; K492-W494 PolarHBondContact O-N 2.88Å; K492-I495 PolarHBondContact O-N 3.02Å; K492-A496 WeakPolarHBondContact O-CB 3.05Å; K492-A496 PolarHBondContact O-N 3.08Å
493Q71Confident64.4Low129 Ų129111.3 Ų111.360%0.60352%0.517SS*.Hα-helixtrans-62.6-40.2177.8-77.9-179.1-27.300112.2E489 R490 A496 T497E489-Q493 WeakPolarHBondContact O-CG 3.35Å; E489-Q493 PolarHBondContact O-N 3.41Å; R490-Q493 PolarHBondContact O-N 3.3Å; Q493-A496 PolarHBondContact O-N 2.86Å; Q493-T497 WeakPolarHBondContact O-CB 3.41Å; Q493-T497 PolarHBondContact O-N 3.2Å; Q493-T497 PolarHBondContact O-OG1 3.29Å
494W69.1Low63.6Low165 Ų165114 Ų11463%0.62553%0.526SS*.Hα-helixtrans-64-44.6174.5-17776.1000112.6R490 V491 K492 T497 Q498R490-W494 WeakPolarHBondContact O-CB 3.44Å; R490-W494 PolarHBondContact O-N 3Å; V491-W494 PolarHBondContact O-N 3.35Å; K492-W494 VanDerWaalsContact C-N 3.34Å; K492-W494 PolarHBondContact O-N 2.88Å; W494-T497 PolarHBondContact O-N 2.8Å; W494-Q498 HydrophobicContact CD2-CG 4.17Å; W494-Q498 HydrophobicContact CH2-CG 4.33Å; W494-Q498 HydrophobicContact CZ2-CG 3.89Å; W494-Q498 WeakPolarHBondContact O-CG 3.27Å; W494-Q498 PolarHBondContact O-N 3.27Å
495I67.6Low62.5Low80 Ų80114.7 Ų114.741%0.4154%0.54SS..Hα-helixtrans-60.1-48.6174.2-68.4166.9000110.6V491 K492 T497 Q498 E499V491-I495 HydrophobicContact CG1-CD1 3.89Å; V491-I495 VanDerWaalsContact O-CG1 3.32Å; V491-I495 WeakPolarHBondContact O-CG1 3.31Å; V491-I495 PolarHBondContact O-N 3.16Å; K492-I495 PolarHBondContact O-N 3.02Å; I495-T497 PolarHBondContact O-N 3.3Å; I495-Q498 PolarHBondContact O-N 3.38Å; I495-Q498 VanDerWaalsContact O-N 3.17Å; I495-E499 HydrophobicContact CG2-CG 4.46Å; I495-E499 WeakPolarHBondContact O-CG 3.5Å; I495-E499 PolarHBondContact O-N 3.29Å
496A68.3Low61.1Low56 Ų56115 Ų11546%0.46354%0.541SS..Hα-helixtrans-62.8-30.4178.100000113K492 Q493 K500K492-A496 WeakPolarHBondContact O-CB 3.05Å; K492-A496 PolarHBondContact O-N 3.08Å; Q493-A496 PolarHBondContact O-N 2.86Å; A496-K500 VanDerWaalsContact O-CB 3.3Å; A496-K500 WeakPolarHBondContact O-CB 3.33Å; A496-K500 PolarHBondContact O-N 3.23Å
497T72.4Confident59.6Low64 Ų64117.9 Ų117.939%0.39356%0.556SS.*Hα-helixtrans-72.6-44.9174.4-57.50000110.4Q493 W494 I495 E499 K500 E501Q493-T497 WeakPolarHBondContact O-CB 3.41Å; Q493-T497 PolarHBondContact O-N 3.2Å; Q493-T497 PolarHBondContact O-OG1 3.29Å; W494-T497 PolarHBondContact O-N 2.8Å; I495-T497 PolarHBondContact O-N 3.3Å; T497-E499 PolarHBondContact O-N 2.69Å; T497-K500 PolarHBondContact O-N 2.99Å; T497-E501 WeakPolarHBondContact CG2-OE1 3.49Å; T497-E501 WeakPolarHBondContact O-CB 3.36Å; T497-E501 WeakPolarHBondContact O-CG 3.28Å; T497-E501 PolarHBondContact O-N 3.47Å
498Q65.6Low58.2Low80 Ų80120.3 Ų120.337%0.37457%0.569SS.*Hα-helixtrans-63.6-37.2174.4-72.6-62.3-73.400112.8W494 I495 E501 R502W494-Q498 HydrophobicContact CD2-CG 4.17Å; W494-Q498 HydrophobicContact CH2-CG 4.33Å; W494-Q498 HydrophobicContact CZ2-CG 3.89Å; W494-Q498 WeakPolarHBondContact O-CG 3.27Å; W494-Q498 PolarHBondContact O-N 3.27Å; I495-Q498 PolarHBondContact O-N 3.38Å; I495-Q498 VanDerWaalsContact O-N 3.17Å; Q498-E501 PolarHBondContact NE2-OE2 3.37Å; Q498-R502 WeakPolarHBondContact O-CB 3.3Å; Q498-R502 PolarHBondContact O-N 2.94Å
499E63.2Low56.2Low118 Ų118120.6 Ų120.655%0.55158%0.582SS**Hα-helixtrans-67.3-40172.3-71.6-174.8143.100111.8I495 T497 R502 L503I495-E499 HydrophobicContact CG2-CG 4.46Å; I495-E499 WeakPolarHBondContact O-CG 3.5Å; I495-E499 PolarHBondContact O-N 3.29Å; T497-E499 PolarHBondContact O-N 2.69Å; E499-R502 PolarHBondContact O-N 2.91Å; E499-L503 WeakPolarHBondContact O-CB 3.37Å; E499-L503 VanDerWaalsContact O-CG 3.27Å; E499-L503 WeakPolarHBondContact O-CG 3.34Å; E499-L503 PolarHBondContact O-N 2.84Å
500K65.8Low54.1Low160 Ų160124.9 Ų124.970%0.69660%0.595SS**Hα-helixtrans-65.8-42.8175.8-171.8-179179.6-173.30112.5A496 T497 L503 F504A496-K500 VanDerWaalsContact O-CB 3.3Å; A496-K500 WeakPolarHBondContact O-CB 3.33Å; A496-K500 PolarHBondContact O-N 3.23Å; T497-K500 PolarHBondContact O-N 2.99Å; K500-L503 PolarHBondContact O-N 3Å; K500-F504 WeakPolarHBondContact O-CB 3.18Å; K500-F504 PolarHBondContact O-N 3.13Å
501E57.6Low52.8Low91 Ų91123 Ų12343%0.42560%0.602SS.*Hα-helixtrans-63.2-46.2173.5-75.3171.6-166.500110.7T497 Q498 L503 F504 S505T497-E501 WeakPolarHBondContact CG2-OE1 3.49Å; T497-E501 WeakPolarHBondContact O-CB 3.36Å; T497-E501 WeakPolarHBondContact O-CG 3.28Å; T497-E501 PolarHBondContact O-N 3.47Å; Q498-E501 PolarHBondContact NE2-OE2 3.37Å; E501-L503 VanDerWaalsContact C-N 3.31Å; E501-L503 PolarHBondContact O-N 3.33Å; E501-F504 PolarHBondContact O-N 3.45Å; E501-F504 VanDerWaalsContact O-N 3.08Å; E501-S505 PolarHBondContact O-N 2.89Å; E501-S505 PolarHBondContact O-OG 3Å; E501-S505 VanDerWaalsContact O-OG 3.13Å
502R44.8Very low51Low199 Ų199127.9 Ų127.975%0.75161%0.613SS**Hα-helixtrans-61.4-36.1177.9-170.6177-171-176.22.1112.9Q498 E499 Q506Q498-R502 WeakPolarHBondContact O-CB 3.3Å; Q498-R502 PolarHBondContact O-N 2.94Å; E499-R502 PolarHBondContact O-N 2.91Å; R502-Q506 PolarHBondContact O-N 2.89Å
503L49.6Very low49.1Very low108 Ų108131.4 Ų131.457%0.56563%0.629SS**Hα-helixtrans-70.5-40172.1-74.6165.9000111.9E499 K500 E501 S505 Q506 T507E499-L503 WeakPolarHBondContact O-CB 3.37Å; E499-L503 VanDerWaalsContact O-CG 3.27Å; E499-L503 WeakPolarHBondContact O-CG 3.34Å; E499-L503 PolarHBondContact O-N 2.84Å; K500-L503 PolarHBondContact O-N 3Å; E501-L503 VanDerWaalsContact C-N 3.31Å; E501-L503 PolarHBondContact O-N 3.33Å; L503-S505 VanDerWaalsContact C-N 3.34Å; L503-S505 PolarHBondContact O-N 3.28Å; L503-Q506 WeakPolarHBondContact O-CB 3.3Å; L503-Q506 PolarHBondContact O-N 3.16Å; L503-Q506 VanDerWaalsContact O-N 3.07Å; L503-T507 PolarHBondContact O-OG1 3.28Å
504F43Very low47.1Very low178 Ų178130 Ų13078%0.78163%0.633SS**Hα-helixtrans-66-37.2177-159.7-101.8000112K500 E501 Q506K500-F504 WeakPolarHBondContact O-CB 3.18Å; K500-F504 PolarHBondContact O-N 3.13Å; E501-F504 PolarHBondContact O-N 3.45Å; E501-F504 VanDerWaalsContact O-N 3.08Å; F504-Q506 PolarHBondContact O-N 3.25Å
505S38.5Very low45.2Very low96 Ų96127.8 Ų127.867%0.67164%0.64SS**THydrogen-bonded Turntrans-71.2-3.3171.1-56.70000114.5E501 L503E501-S505 PolarHBondContact O-N 2.89Å; E501-S505 PolarHBondContact O-OG 3Å; E501-S505 VanDerWaalsContact O-OG 3.13Å; L503-S505 VanDerWaalsContact C-N 3.34Å; L503-S505 PolarHBondContact O-N 3.28Å
506Q37.3Very low43.3Very low126 Ų126130.4 Ų130.459%0.58966%0.655SS**THydrogen-bonded Turntrans-98.1-4.8-178.2-153.116616.200113.4R502 L503 F504R502-Q506 PolarHBondContact O-N 2.89Å; L503-Q506 WeakPolarHBondContact O-CB 3.3Å; L503-Q506 PolarHBondContact O-N 3.16Å; L503-Q506 VanDerWaalsContact O-N 3.07Å; F504-Q506 PolarHBondContact O-N 3.25Å
507T34.7Very low41.5Very low112 Ų112135.4 Ų135.469%0.68767%0.673SS**SBendtrans-98.1-4.2-172.9-33.60000114L503L503-T507 PolarHBondContact O-OG1 3.28Å
508Q32Very low39.4Very low166 Ų166139.4 Ų139.478%0.77670%0.697SS**SBendtrans-141155.2170.1-64.1-167.311.900110.7
509L27.5Very low37.6Very low161 Ų161144.2 Ų144.284%0.84372%0.72SS**  trans70.790.1176.9-56.2172.3000117.4
510Y27.5Very low35.9Very low186 Ų186144.2 Ų144.273%0.72973%0.728SS**  trans-148.1153.6154.8-92.9-69.4000107.1Y512Y510-Y512 HydrophobicContact CE1-CD2 4.13Å
511P34.8Very low34.2Very low108 Ų108143.7 Ų143.770%0.70174%0.739SS**  cis-122.8152.842.339.6-28.3000117.1
512Y29.5Very low32.8Very low187 Ų187143.7 Ų143.773%0.73375%0.749SS**PPolyproline II helixtrans-77.3143150.6-110-113.6000108.2Y510Y510-Y512 HydrophobicContact CE1-CD2 4.13Å
513F31.6Very low32Very low190 Ų190141 Ų14183%0.83375%0.749SS**PPolyproline II helixtrans-99.8121.9158.5-92.5-81.5000109.4
514S29Very low31.2Very low99 Ų99145.8 Ų145.869%0.69277%0.766SS**PPolyproline II helixtrans-100132.6163.3-159.40000108.1D516S514-D516 PolarHBondContact O-N 3.28Å
515P29.3Very low30.6Very low118 Ų118141.6 Ų141.677%0.76676%0.764SS**  trans-100.770.4-170.438.8-35.2000113.2
516D28Very low30.2Very low136 Ų136144 Ų14473%0.72777%0.77SS**  trans-139.5171.1171.2-76.3-63.8000110.7S514S514-D516 PolarHBondContact O-N 3.28Å
517D29.2Very low30.1Very low160 Ų160145.1 Ų145.186%0.85678%0.784SS**  trans61.284.6178.4-62.4-22.4000117.9
518V29.4Very low29.9Very low148 Ų148146.4 Ų146.490%0.89779%0.787SS**  trans-130.780.1154.5-174.90000109.9
519E27.3Very low29.9Very low182 Ų182144.4 Ų144.485%0.8579%0.791SS**  trans-146.1137.5162.8-127.2177.9-139.200112.4
520T27.2Very low30Very low117 Ų117140.5 Ų140.572%0.71878%0.782SS**  trans51.399.7157.8-47.50000119.7
521T31.4Very low30.2Very low150 Ų150138 Ų13892%0.9279%0.786SS**  -164.1156.7118.112.10000112.1
522S26.7Very low30.2Very low91 Ų91138.9 Ų138.964%0.63678%0.784SS**  trans-129.3160-175.457.10000112.5
523N27.7Very low30.1Very low142 Ų142138.4 Ų138.476%0.75979%0.789SS**  trans79.1168.7166.1-50.2-39.1000117.6
524F32.6Very low29.9Very low208 Ų208134.1 Ų134.191%0.91278%0.782SS**  trans73.1119.9-169-57.7-73.9000116.1
525A31.6Very low29.9Very low91 Ų91135.6 Ų135.675%0.75279%0.787SS**  cis166.8156.1-34.900000106.6
526N29.8Very low29.9Very low147 Ų147134.1 Ų134.179%0.78679%0.785SS**  trans-70149.6-173.7-64.7-29.9000114.6
527V35.1Very low30Very low148 Ų148135.7 Ų135.790%0.89779%0.785SS**  trans-134.1141.1142.2-175.30000108
528N31.3Very low30Very low139 Ų139135 Ų13574%0.74378%0.777SS**  trans-126.5163.8-170.9-93.1-30.7000112.1
529S32.4Very low30.1Very low124 Ų124136.3 Ų136.387%0.86777%0.773SS**  trans72.2159.2162.6-133.10000115.3
530A29.5Very low30.2Very low79 Ų79135.3 Ų135.365%0.65377%0.769SS**  cis-155-163.716.200000112.2
531V31.7Very low30.2Very low133 Ų133136.5 Ų136.581%0.80677%0.77SS**  trans75.4122.4171.9-167.40000114.9
532L32.9Very low30.2Very low127 Ų127134.7 Ų134.767%0.66576%0.761SS**  cis164.1129.2-25.5-100.2164.8000104.7
533Q27.8Very low30.2Very low177 Ų177139 Ų13983%0.82777%0.773SS**  trans49.4149.9136.7-67.7176.4-1.400120.9
534S27.1Very low30.3Very low100 Ų100139.2 Ų139.270%0.69978%0.779SS**  cis-158.6178.918.446.20000112.4
535V29.7Very low30Very low130 Ų130133.7 Ų133.779%0.78877%0.772SS**  trans65.2105.6167-1640000115.4
536A29.9Very low29.8Very low88 Ų88134.2 Ų134.273%0.72778%0.776SS**  cis83.5101.320.800000117.1
537K30.5Very low29.8Very low169 Ų169132.3 Ų132.374%0.73578%0.781SS**  trans179124.8138.5-97.2-177.3174.4-86.40108.3
538E28.7Very low29.5Very low144 Ų144131 Ų13167%0.67378%0.778SS**  68135.999.7-66.8164.3-172.300112.7
539E32.1Very low29.5Very low177 Ų177134.7 Ų134.783%0.82779%0.788SS**  cis-147.7-169.427.8-147.1163.7-145.700114.5
540E27.5Very low29.3Very low160 Ų160134.6 Ų134.675%0.74879%0.787SS**  trans-75.3142.4-155.9-69.3-158.9136.600118.9
541L28.6Very low29.3Very low142 Ų142136 Ų13674%0.74380%0.798SS**  75.7165.8100.4-62.6-179.5000117.8
542P30.9Very low29Very low112 Ų112134.8 Ų134.873%0.72780%0.796SS**  cis-129.9178.2-32.530.5-11.6000114
543M26.8Very low28.8Very low182 Ų182139.8 Ų139.890%0.89781%0.808SS**  trans-79.3154166.1-72.3-177.4-75.500113.4
544V29.1Very low28.8Very low147 Ų147135.8 Ų135.889%0.89180%0.799SS**  trans-133.8144.7154.1-179.60000108.5
545A27.2Very low28.8Very low91 Ų91140.3 Ų140.375%0.75281%0.809SS**  trans-128.4163.8-173.700000113.3
546A27.5Very low28.5Very low102 Ų102139.8 Ų139.884%0.84381%0.81SS**  trans64.2122.8161.600000119.7
547A30.2Very low28.3Very low107 Ų107141.2 Ų141.288%0.88481%0.812SS**  trans-153.3103.2149.200000110.2
548S29Very low28.2Very low121 Ų121140.9 Ų140.985%0.84682%0.817SS**  trans-76.7143.2173.9-50.50000111.1
549K31.3Very low28Very low217 Ų217144.6 Ų144.694%0.94383%0.825SS**  trans-151.6140.8158.4-114.6163.9-171.4175.30111.9
550S26.5Very low27.7Very low121 Ų121143.3 Ų143.385%0.84682%0.823SS**  trans-96.5146.5-171.646.50000112.7
551A30.6Very low27.6Very low108 Ų108142.7 Ų142.789%0.89382%0.824SS**  trans-147.6126159.400000109.3
552S25.6Very low27.5Very low108 Ų108143.6 Ų143.676%0.75583%0.829SS**  trans-109.4131.6179.953.10000110.4
553Y28.2Very low27.3Very low233 Ų233143.7 Ų143.791%0.91483%0.829SS**  trans-155.2140.4160.5-116.6-78.4000114.6
554S27Very low27.4Very low92 Ų92140.3 Ų140.364%0.64382%0.821SS**  trans17.6109.3160.460.10000121.5
555Q27Very low27.3Very low195 Ų195138.2 Ų138.291%0.91181%0.813SS**  15.6113.3112.5-173.5177.817.700117.6
556C24.1Very low27.1Very low120 Ų120139.2 Ų139.281%0.81181%0.813SS**  trans-152.7137.5163.1-1320000111
557P26.7Very low27.2Very low117 Ų117139.7 Ų139.776%0.7680%0.802SS**  trans-96.3113.3-170.934.6-32.2000113.9R559P557-R559 VanDerWaalsContact C-N 3.34Å; P557-R559 PolarHBondContact O-N 3.07Å
558L27.2Very low27.2Very low163 Ų163142.1 Ų142.185%0.85380%0.797SS**  trans-82.277.7171.5-82.4175.5000112.6L560L558-L560 PolarHBondContact O-N 3.5Å
559R24Very low27.1Very low221 Ų221141.7 Ų141.783%0.83479%0.791SS**  trans-7374.8161.6-174.5-172.9-175.7175.71.8109.5P557 L561P557-R559 VanDerWaalsContact C-N 3.34Å; P557-R559 PolarHBondContact O-N 3.07Å; R559-L561 PolarHBondContact O-N 2.84Å
560L27Very low27Very low151 Ų151139 Ų13979%0.79178%0.781SS**PPolyproline II helixtrans-64.6122.8170.2-83.4170.6000109.2L558L558-L560 PolarHBondContact O-N 3.5Å
561L25.6Very low27.1Very low147 Ų147138.4 Ų138.477%0.7777%0.773SS**PPolyproline II helixtrans-76.2144.7-174.8-66.5100.4000111.2R559 P563R559-L561 PolarHBondContact O-N 2.84Å; L561-P563 WeakPolarHBondContact O-CD 3.21Å
562L26.1Very low26.9Very low160 Ų160144.7 Ų144.784%0.83877%0.773SS**PPolyproline II helixtrans-63.2126159.6-76.670.7000108.8
563P26.9Very low27Very low114 Ų114149.4 Ų149.474%0.7478%0.776SS**PPolyproline II helixtrans-71.1138.714432.2-30.4000108.4L561L561-P563 WeakPolarHBondContact O-CD 3.21Å
564P27.7Very low26.9Very low111 Ų111145.1 Ų145.172%0.72177%0.768SS**PPolyproline II helixtrans-74.3153.2171.431.8-34.1000111.2
565S27Very low27.2Very low104 Ų104149.3 Ų149.373%0.72778%0.777SS**SBendtrans58117.9159.754.30000120.1
566C24.4Very low27.3Very low111 Ų111145.6 Ų145.675%0.7576%0.764SS**  trans63.599.2138.7-54.50000120.3
567N29.6Very low27.5Very low113 Ų113146.3 Ų146.360%0.60476%0.758SS**  175.9163108-86.6-46.1000111.9R1173N567-R1173 PolarHBondContact OD1-NE 2.81Å; N567-R1173 PolarHBondContact OD1-NH2 3.02Å
568M28.8Very low27.5Very low158 Ų158145 Ų14578%0.77876%0.757SS**  trans-92.1151.8-173.7-67.8-86.1-73.700113.5
569P28.8Very low27.6Very low111 Ų111143.6 Ų143.672%0.72175%0.746SS**  trans-94115.415433.6-26.4000112
570E29Very low27.8Very low160 Ų160138.1 Ų138.175%0.74874%0.737SS**  trans39.298146.9-58.7-174.3140.500120.4
571V28Very low27.8Very low110 Ų110139.9 Ų139.967%0.66774%0.741SS**  trans-67.1125.1153.3173.70000109.5Y573V571-Y573 HydrophobicContact CG1-CD2 3.49Å; V571-Y573 VanDerWaalsContact CG1-CD2 3.49Å; V571-Y573 HydrophobicContact CG1-CE2 4.28Å; V571-Y573 HydrophobicContact CG1-CG 4.26Å; V571-Y573 PolarHBondContact O-N 3.08Å; V571-Y573 VanDerWaalsContact O-N 3.15Å
572R27.1Very low28Very low239 Ų239142.3 Ų142.390%0.90275%0.749SS**  trans-8576.2170.6-79.8-171.1174.6168.6-0.2111.9
573Y27.4Very low28.1Very low208 Ų208143.3 Ų143.382%0.81675%0.749SS**  trans-129.488.3161-74-59.8000110.5V571V571-Y573 HydrophobicContact CG1-CD2 3.49Å; V571-Y573 VanDerWaalsContact CG1-CD2 3.49Å; V571-Y573 HydrophobicContact CG1-CE2 4.28Å; V571-Y573 HydrophobicContact CG1-CG 4.26Å; V571-Y573 PolarHBondContact O-N 3.08Å; V571-Y573 VanDerWaalsContact O-N 3.15Å
574L26.7Very low28.1Very low143 Ų143142.7 Ų142.775%0.74975%0.747SS**  trans-115.8143.5150.4-67.7163.5000103.6
575E32.5Very low28.1Very low179 Ų179145.5 Ų145.584%0.83676%0.756SS**  cis-133.8147.843.6-68.1159.1160.100114.2
576D29.3Very low28.2Very low118 Ų118146 Ų14663%0.63176%0.759SS**  trans64.287138.8-59.6-0.6000123.7
577I26.9Very low28.3Very low134 Ų134150.1 Ų150.169%0.68777%0.767SS**  63.8137.5100-67165.1000121.1Y1183I577-Y1183 HydrophobicContact CD1-CD1 4.19Å; I577-Y1183 HydrophobicContact CD1-CE1 4.08Å
578A28.1Very low28.2Very low89 Ų89153.8 Ų153.874%0.73678%0.778SS**  trans87.8106.1157.400000119.8
579E28.3Very low28.2Very low134 Ų134154.1 Ų154.163%0.62678%0.782SS**  trans-72.4151.9151.9-52.8166.4134.700110.7
580V28.9Very low28.1Very low106 Ų106153.1 Ų153.164%0.64278%0.778SS**  175.9140.9120.4149.50000109.1
581E27.5Very low28.1Very low188 Ų188156 Ų15688%0.87978%0.782SS**  trans-74.4129.7173.5-59.5172.613600110.4
582E28.9Very low28.1Very low198 Ų198159 Ų15993%0.92579%0.788SS**  trans-135.593160.3-164.6176.9-12900109.8
583E27.9Very low28.1Very low181 Ų181151.7 Ų151.785%0.84677%0.773SS**  trans-103.6123175.3-153.7-173.2-144.700110.8
584S27.3Very low28.1Very low101 Ų101149.3 Ų149.371%0.70678%0.775SS**  trans6178.2156.2-61.90000119.9
585L27.7Very low28.2Very low170 Ų170147.1 Ų147.189%0.8978%0.778SS**  trans-140.4145.5143-82.2-173.3000114
586S28.2Very low28.1Very low114 Ų114144.2 Ų144.280%0.79778%0.777SS**  trans76.644.5161.872.70000121.2K588S586-K588 PolarHBondContact O-N 2.96Å; S586-K588 VanDerWaalsContact O-N 3.09Å
587E27.3Very low28.2Very low199 Ų199145.4 Ų145.493%0.9378%0.783SS**  trans-65.7102139.7-95.9-153.9134.900109.4
588K28.3Very low28.3Very low190 Ų190150.3 Ų150.383%0.82679%0.793SS**  trans-169.7142.8158.8-109.3153.1-170.7171.90111.4S586S586-K588 PolarHBondContact O-N 2.96Å; S586-K588 VanDerWaalsContact O-N 3.09Å
589L28.1Very low28.3Very low165 Ų165155.6 Ų155.686%0.86480%0.799SS**  trans66.2124.6178.9-52171.4000115.1
590S27.5Very low28.3Very low90 Ų90155 Ų15563%0.62981%0.808SS**  cis169.6111.2-35.645.30000107.9
591R27.6Very low28.6Very low221 Ų221156.1 Ų156.183%0.83482%0.818SS**  trans64.5153.9151.8-53175.6175.1159.8-1.7119.6
592H29Very low28.7Very low171 Ų171152.7 Ų152.779%0.79282%0.815SS**  trans70.2144.9166.1-54.4-73.8000117.1
593S27.6Very low28.9Very low86 Ų86147.1 Ų147.160%0.60180%0.803SS**  cis-170.3150.7-2250.80000111.9
594N26.5Very low29.1Very low159 Ų159145.3 Ų145.385%0.8580%0.799SS**  trans67.7131.5148.8-61.8-4.4000121
595A29.4Very low29.4Very low97 Ų97147.6 Ų147.680%0.80281%0.809SS**  trans-55.5162.7170.200000116.7
596S30.1Very low29.5Very low117 Ų117147.5 Ų147.582%0.81880%0.804SS**  -169.5168.5120.939.80000112.9
597D30.1Very low29.7Very low143 Ų143151.8 Ų151.877%0.76581%0.808SS**  trans-59.1156.7-171.5-49-88.3000116.8
598R30.1Very low29.9Very low237 Ų237151.6 Ų151.689%0.89480%0.804SS**  -178.8105103-93.4157.1-161.3-150.53.6116
599K27.7Very low30.3Very low200 Ų200150.8 Ų150.887%0.8780%0.797SS**  47.6109.4118.6-158.6174.4-169.7176.50119.7
600C29.3Very low30.7Very low121 Ų121151.8 Ų151.882%0.81879%0.794SS**  trans-78.7156.3161.5-53.70000112.9
601P33.8Very low31.6Very low130 Ų130150.6 Ų150.684%0.84479%0.785SS**  trans-100.3165.9157.136.6-29.4000112.4
602S30.9Very low33.6Very low116 Ų116143.3 Ų143.381%0.81177%0.765SS**  trans-123.6149.5-178173.50000111.2
603A33.5Very low34.7Very low81 Ų81142.8 Ų142.867%0.66976%0.763SS**  trans-176.5129.9136.600000114.4
604N30.2Very low36.3Very low144 Ų144141 Ų14177%0.7775%0.753SS**  trans48.1112.9137.5-54.6-10.8000121.6
605T35.3Very low38.1Very low148 Ų148135.2 Ų135.291%0.90872%0.722SS**  -167.4138.297.718.70000111.8
606E29.4Very low39.8Very low169 Ų169138.2 Ų138.279%0.7971%0.713SS**  trans-83.9136.2179.6-70.1-173.696.300113.1
607K31.5Very low41.3Very low203 Ų203136.2 Ų136.288%0.88370%0.696SS**  trans-136.8116.7145.6-74.9-171177.8174.10109.6Y609K607-Y609 PolarHBondContact O-N 3.39Å
608K31.3Very low43Very low195 Ų195136.9 Ų136.985%0.84869%0.688SS**  trans-68.293.5176.8-86.9175174.7162.10111.1
609Y37.4Very low44.8Very low173 Ų173128.6 Ų128.668%0.67867%0.67SS**PPolyproline II helixtrans-76.1122.3167.2-164.1-100.3000109.7K607K607-Y609 PolarHBondContact O-N 3.39Å
610K37.5Very low46.3Very low186 Ų186126.8 Ų126.881%0.80966%0.659SS**PPolyproline II helixtrans-85.7121.5167.7-81.7-175.2173.7-179.20107.8T612K610-T612 PolarHBondContact O-N 3.2Å
611P46.3Very low48Very low66 Ų66125.6 Ų125.643%0.42964%0.644SS.*PPolyproline II helixtrans-64.2127.3179.226-33.5000110.4D615 R616P611-D615 HydrophobicContact CB-CB 3.94Å; P611-R616 HydrophobicContact CB-CG 4.49Å; P611-R616 PolarHBondContact O-NE 2.76Å; P611-R616 PolarHBondContact O-NH2 2.9Å
612T68.7Low49.5Very low67 Ų67123 Ų12341%0.41162%0.622SS.*PPolyproline II helixtrans-65.5167.9172.1700000110K610 A614 D615 R616K610-T612 PolarHBondContact O-N 3.2Å; T612-A614 VanDerWaalsContact C-N 3.28Å; T612-A614 PolarHBondContact O-N 3.42Å; T612-D615 WeakPolarHBondContact CB-OD2 3.45Å; T612-D615 PolarHBondContact N-OD2 3.44Å; T612-D615 PolarHBondContact O-N 3.31Å; T612-D615 VanDerWaalsContact O-N 3.11Å; T612-D615 PolarHBondContact OG1-N 2.95Å; T612-D615 PolarHBondContact OG1-OD2 3.08Å; T612-R616 WeakPolarHBondContact O-CG 3.27Å; T612-R616 PolarHBondContact O-N 3.45Å; T612-R616 VanDerWaalsContact O-N 3.14Å
613E52.6Low51.1Low160 Ų160119.1 Ų119.175%0.74860%0.601SS**Hα-helixtrans-59.7-41.3176.5-167.8160.4-165.600111.5D615 R616 T617E613-D615 VanDerWaalsContact C-N 3.29Å; E613-D615 PolarHBondContact O-N 3.24Å; E613-R616 WeakPolarHBondContact O-CB 3.23Å; E613-R616 PolarHBondContact O-N 2.98Å; E613-T617 PolarHBondContact O-N 3.29Å; E613-T617 PolarHBondContact O-OG1 3.07Å
614A60.1Low52.3Low49 Ų49118.4 Ų118.441%0.40559%0.586SS.*Hα-helixtrans-60-34173.600000113.5T612 T617 R618T612-A614 VanDerWaalsContact C-N 3.28Å; T612-A614 PolarHBondContact O-N 3.42Å; A614-T617 PolarHBondContact O-N 3.31Å; A614-R618 WeakPolarHBondContact O-CG 3.36Å; A614-R618 PolarHBondContact O-N 2.84Å
615D65.8Low53.6Low37 Ų37116 Ų11620%0.19858%0.576CS.*Hα-helixtrans-71.7-32.3176-54.4-44.8000111.9P611 T612 E613 R618 A619P611-D615 HydrophobicContact CB-CB 3.94Å; T612-D615 WeakPolarHBondContact CB-OD2 3.45Å; T612-D615 PolarHBondContact N-OD2 3.44Å; T612-D615 PolarHBondContact O-N 3.31Å; T612-D615 VanDerWaalsContact O-N 3.11Å; T612-D615 PolarHBondContact OG1-N 2.95Å; T612-D615 PolarHBondContact OG1-OD2 3.08Å; E613-D615 VanDerWaalsContact C-N 3.29Å; E613-D615 PolarHBondContact O-N 3.24Å; D615-R618 IonicContact OD1-NH1 2.81Å; D615-R618 PolarHBondContact OD1-NH1 3.28Å; D615-A619 WeakPolarHBondContact O-CB 3.4Å; D615-A619 PolarHBondContact O-N 3.45Å
616R64Low54.8Low160 Ų160114.8 Ų114.860%0.60456%0.558SS**Hα-helixtrans-69.2-41.9171.8-59.9174.2-157.1-175.65.9110.8P611 T612 E613 A619 Y620P611-R616 HydrophobicContact CB-CG 4.49Å; P611-R616 PolarHBondContact O-NE 2.76Å; P611-R616 PolarHBondContact O-NH2 2.9Å; T612-R616 WeakPolarHBondContact O-CG 3.27Å; T612-R616 PolarHBondContact O-N 3.45Å; T612-R616 VanDerWaalsContact O-N 3.14Å; E613-R616 WeakPolarHBondContact O-CB 3.23Å; E613-R616 PolarHBondContact O-N 2.98Å; R616-A619 PolarHBondContact O-N 2.8Å; R616-Y620 VanDerWaalsContact O-CB 3.28Å; R616-Y620 WeakPolarHBondContact O-CB 3.26Å; R616-Y620 PolarHBondContact O-N 3.39Å
617T61.1Low55.8Low75 Ų75110 Ų11046%0.4654%0.544SS..Hα-helixtrans-62.6-41.9174.6-42.10000111.2E613 A614 Y620 L621E613-T617 PolarHBondContact O-N 3.29Å; E613-T617 PolarHBondContact O-OG1 3.07Å; A614-T617 PolarHBondContact O-N 3.31Å; T617-Y620 PolarHBondContact O-N 3.33Å; T617-L621 HydrophobicContact CG2-CD1 4.24Å; T617-L621 WeakPolarHBondContact O-CB 3.47Å; T617-L621 VanDerWaalsContact O-CG 3.3Å; T617-L621 WeakPolarHBondContact O-CG 3.25Å; T617-L621 PolarHBondContact O-N 2.69Å
618R66.2Low57Low158 Ų158103.7 Ų103.760%0.59652%0.522SS*.Hα-helixtrans-62.8-46.7172.9-73.3-172-159.6103.4-0.7112.3A614 D615 Y620 L621 D622A614-R618 WeakPolarHBondContact O-CG 3.36Å; A614-R618 PolarHBondContact O-N 2.84Å; D615-R618 IonicContact OD1-NH1 2.81Å; D615-R618 PolarHBondContact OD1-NH1 3.28Å; R618-Y620 VanDerWaalsContact C-N 3.27Å; R618-Y620 PolarHBondContact O-N 3.17Å; R618-L621 PolarHBondContact O-N 3.06Å; R618-D622 VanDerWaalsContact O-CB 3.23Å; R618-D622 WeakPolarHBondContact O-CB 3.16Å; R618-D622 PolarHBondContact O-N 2.89Å
619A67.2Low58.2Low63 Ų6397.2 Ų97.252%0.52150%0.501SS..Hα-helixtrans-63.8-33.4178.300000112.6D615 R616 G623D615-A619 WeakPolarHBondContact O-CB 3.4Å; D615-A619 PolarHBondContact O-N 3.45Å; R616-A619 PolarHBondContact O-N 2.8Å; A619-G623 PolarHBondContact O-N 3.04Å
620Y59.4Low59.3Low162 Ų16292.6 Ų92.664%0.63550%0.499SS*.Hα-helixtrans-69.4-45.8174.2-177.2-108.8000112R616 T617 R618 G623 I624R616-Y620 VanDerWaalsContact O-CB 3.28Å; R616-Y620 WeakPolarHBondContact O-CB 3.26Å; R616-Y620 PolarHBondContact O-N 3.39Å; T617-Y620 PolarHBondContact O-N 3.33Å; R618-Y620 VanDerWaalsContact C-N 3.27Å; R618-Y620 PolarHBondContact O-N 3.17Å; Y620-G623 PolarHBondContact O-N 3.23Å; Y620-I624 HydrophobicContact CD1-CD1 3.93Å; Y620-I624 HydrophobicContact CE1-CD1 3.51Å; Y620-I624 WeakPolarHBondContact O-CG1 3.3Å; Y620-I624 PolarHBondContact O-N 3.22Å
621L64.7Low59.9Low95 Ų9586.9 Ų86.950%0.49749%0.486SS..Hα-helixtrans-65.4-44175.9-70.6169.5000112.1T617 R618 G623 I624 T625T617-L621 HydrophobicContact CG2-CD1 4.24Å; T617-L621 WeakPolarHBondContact O-CB 3.47Å; T617-L621 VanDerWaalsContact O-CG 3.3Å; T617-L621 WeakPolarHBondContact O-CG 3.25Å; T617-L621 PolarHBondContact O-N 2.69Å; R618-L621 PolarHBondContact O-N 3.06Å; L621-G623 VanDerWaalsContact C-N 3.29Å; L621-G623 PolarHBondContact O-N 3.48Å; L621-I624 WeakPolarHBondContact O-CB 3.39Å; L621-I624 PolarHBondContact O-N 3.31Å; L621-I624 VanDerWaalsContact O-N 3.11Å; L621-T625 PolarHBondContact O-N 3.35Å; L621-T625 PolarHBondContact O-OG1 3.04Å
622D65.3Low59.9Low75 Ų7589 Ų8940%0.40149%0.489SS..Hα-helixtrans-58.9-39.7172.5174.163.6000111.8R618 T625 K626R618-D622 VanDerWaalsContact O-CB 3.23Å; R618-D622 WeakPolarHBondContact O-CB 3.16Å; R618-D622 PolarHBondContact O-N 2.89Å; D622-T625 PolarHBondContact O-N 3.31Å; D622-K626 VanDerWaalsContact O-CB 3.29Å; D622-K626 WeakPolarHBondContact O-CB 3.38Å; D622-K626 VanDerWaalsContact O-CG 3.31Å; D622-K626 WeakPolarHBondContact O-CG 3.43Å; D622-K626 PolarHBondContact O-N 3.26Å; D622-K626 WeakPolarHBondContact OD1-CE 3.39Å; D622-K626 IonicContact OD1-NZ 2.73Å; D622-K626 PolarHBondContact OD1-NZ 2.88Å; D622-K626 IonicContact OD2-NZ 3.21Å; D622-K626 PolarHBondContact OD2-NZ 2.95Å
623G66.4Low59Low36 Ų3686.8 Ų86.837%0.37148%0.476SS..Hα-helixtrans-61.6-43.2171.200000113.2A619 Y620 L621 S627A619-G623 PolarHBondContact O-N 3.04Å; Y620-G623 PolarHBondContact O-N 3.23Å; L621-G623 VanDerWaalsContact C-N 3.29Å; L621-G623 PolarHBondContact O-N 3.48Å; G623-S627 WeakPolarHBondContact O-CB 3.21Å; G623-S627 PolarHBondContact O-N 3.41Å; G623-S627 PolarHBondContact O-OG 2.88Å
624I57.8Low58.8Low66 Ų6682.4 Ų82.434%0.33846%0.458SS..Hα-helixtrans-63.1-53.1174.3-70.6168.2000110.1Y620 L621 K626 S627 V628Y620-I624 HydrophobicContact CD1-CD1 3.93Å; Y620-I624 HydrophobicContact CE1-CD1 3.51Å; Y620-I624 WeakPolarHBondContact O-CG1 3.3Å; Y620-I624 PolarHBondContact O-N 3.22Å; L621-I624 WeakPolarHBondContact O-CB 3.39Å; L621-I624 PolarHBondContact O-N 3.31Å; L621-I624 VanDerWaalsContact O-N 3.11Å; I624-K626 VanDerWaalsContact C-N 3.3Å; I624-K626 PolarHBondContact O-N 2.85Å; I624-S627 WeakPolarHBondContact CA-OG 3.31Å; I624-S627 WeakPolarHBondContact O-CA 3.4Å; I624-S627 WeakPolarHBondContact O-CB 3.34Å; I624-S627 PolarHBondContact O-N 2.73Å; I624-S627 PolarHBondContact O-OG 3.06Å; I624-V628 HydrophobicContact CG2-CG2 4.24Å; I624-V628 WeakPolarHBondContact O-CG2 3.47Å; I624-V628 PolarHBondContact O-N 2.78Å
625T57.5Low58.5Low93 Ų9388.9 Ų88.957%0.57148%0.484SS*.Hα-helixtrans-58-40.9-179.8-58.40000111.9L621 D622 V628 S629L621-T625 PolarHBondContact O-N 3.35Å; L621-T625 PolarHBondContact O-OG1 3.04Å; D622-T625 PolarHBondContact O-N 3.31Å; T625-V628 PolarHBondContact O-N 3.43Å; T625-S629 WeakPolarHBondContact O-CB 3.36Å; T625-S629 PolarHBondContact O-N 3.14Å
626K61.1Low57.6Low123 Ų12390.2 Ų90.254%0.53551%0.507SS..Hα-helixtrans-66.7-37.7173.7-76.6166.1176.4157.90112.8D622 I624 A630D622-K626 VanDerWaalsContact O-CB 3.29Å; D622-K626 WeakPolarHBondContact O-CB 3.38Å; D622-K626 VanDerWaalsContact O-CG 3.31Å; D622-K626 WeakPolarHBondContact O-CG 3.43Å; D622-K626 PolarHBondContact O-N 3.26Å; D622-K626 WeakPolarHBondContact OD1-CE 3.39Å; D622-K626 IonicContact OD1-NZ 2.73Å; D622-K626 PolarHBondContact OD1-NZ 2.88Å; D622-K626 IonicContact OD2-NZ 3.21Å; D622-K626 PolarHBondContact OD2-NZ 2.95Å; I624-K626 VanDerWaalsContact C-N 3.3Å; I624-K626 PolarHBondContact O-N 2.85Å; K626-A630 WeakPolarHBondContact O-CB 3.45Å; K626-A630 PolarHBondContact O-N 3.38Å
627S50.5Low56.6Low69 Ų6985.1 Ų85.148%0.48350%0.504SS..Hα-helixtrans-67.2-39175.575.50000112.7G623 I624 A631G623-S627 WeakPolarHBondContact O-CB 3.21Å; G623-S627 PolarHBondContact O-N 3.41Å; G623-S627 PolarHBondContact O-OG 2.88Å; I624-S627 WeakPolarHBondContact CA-OG 3.31Å; I624-S627 WeakPolarHBondContact O-CA 3.4Å; I624-S627 WeakPolarHBondContact O-CB 3.34Å; I624-S627 PolarHBondContact O-N 2.73Å; I624-S627 PolarHBondContact O-OG 3.06Å; S627-A631 VanDerWaalsContact O-CB 3.29Å; S627-A631 WeakPolarHBondContact O-CB 3.31Å; S627-A631 PolarHBondContact O-N 2.91Å
628V56.3Low55.6Low70 Ų7090.9 Ų90.942%0.42452%0.517SS..Hα-helixtrans-68.8-51.2176.2170.60000110I624 T625 A630 A631 F632I624-V628 HydrophobicContact CG2-CG2 4.24Å; I624-V628 WeakPolarHBondContact O-CG2 3.47Å; I624-V628 PolarHBondContact O-N 2.78Å; T625-V628 PolarHBondContact O-N 3.43Å; V628-A630 VanDerWaalsContact C-N 3.31Å; V628-A630 PolarHBondContact O-N 2.91Å; V628-A631 PolarHBondContact O-N 3.45Å; V628-A631 VanDerWaalsContact O-N 3.09Å; V628-F632 HydrophobicContact CG1-CD2 3.8Å; V628-F632 HydrophobicContact CG1-CE2 4.03Å; V628-F632 VanDerWaalsContact O-CD2 3.26Å; V628-F632 WeakPolarHBondContact O-CD2 3.44Å; V628-F632 PolarHBondContact O-N 3.29Å
629S56Low54.3Low58 Ų5889.2 Ų89.241%0.40652%0.519SS..Hα-helixtrans-55.6-44.4175.3178.90000111.7T625 A631 F632 S633T625-S629 WeakPolarHBondContact O-CB 3.36Å; T625-S629 PolarHBondContact O-N 3.14Å; S629-A631 PolarHBondContact O-N 2.84Å; S629-F632 PolarHBondContact O-N 2.86Å; S629-S633 WeakPolarHBondContact O-CB 3.41Å; S629-S633 PolarHBondContact O-N 2.91Å; S629-S633 PolarHBondContact O-OG 2.85Å
630A60.2Low52.8Low76 Ų7692.9 Ų92.963%0.62852%0.52SS*.Hα-helixtrans-70.1-28.417700000114.2K626 V628K626-A630 WeakPolarHBondContact O-CB 3.45Å; K626-A630 PolarHBondContact O-N 3.38Å; V628-A630 VanDerWaalsContact C-N 3.31Å; V628-A630 PolarHBondContact O-N 2.91Å
631A51.6Low51.7Low66 Ų6692.5 Ų92.555%0.54553%0.527SS..Hα-helixtrans-75.2-35.2175.800000112.5S627 V628 S629S627-A631 VanDerWaalsContact O-CB 3.29Å; S627-A631 WeakPolarHBondContact O-CB 3.31Å; S627-A631 PolarHBondContact O-N 2.91Å; V628-A631 PolarHBondContact O-N 3.45Å; V628-A631 VanDerWaalsContact O-N 3.09Å; S629-A631 PolarHBondContact O-N 2.84Å
632F46.2Very low50.1Low110 Ų11094.6 Ų94.648%0.48254%0.538SS..Hα-helixtrans-95.4-7.5-179.1-67.9-69.4000114.5V628 S629 L639 R640V628-F632 HydrophobicContact CG1-CD2 3.8Å; V628-F632 HydrophobicContact CG1-CE2 4.03Å; V628-F632 VanDerWaalsContact O-CD2 3.26Å; V628-F632 WeakPolarHBondContact O-CD2 3.44Å; V628-F632 PolarHBondContact O-N 3.29Å; S629-F632 PolarHBondContact O-N 2.86Å; F632-L639 HydrophobicContact CB-CD2 3.69Å; F632-L639 CarbonylContact O-C 3.5Å; F632-L639 WeakPolarHBondContact O-CA 3.43Å; F632-R640 WeakPolarHBondContact O-CB 3.28Å; F632-R640 WeakPolarHBondContact O-CG 3.45Å; F632-R640 PolarHBondContact O-N 3.07Å
633S48Very low48.4Very low21 Ų2196.2 Ų96.215%0.14756%0.556CS.*BIsolated β-bridgetrans-82.7152.8177.1-66.90000114.2S629 R638S629-S633 WeakPolarHBondContact O-CB 3.41Å; S629-S633 PolarHBondContact O-N 2.91Å; S629-S633 PolarHBondContact O-OG 2.85Å; S633-R638 CarbonylContact C-O 3.57Å; S633-R638 VanDerWaalsContact CA-O 3.3Å; S633-R638 WeakPolarHBondContact CA-O 3.27Å
634D48.5Very low46.7Very low69 Ų69104.1 Ų104.137%0.36958%0.58SS.*  trans-84.9-174.8160.778.8-6.2000112.8G636 G637 R638D634-G636 PolarHBondContact O-N 3.1Å; D634-G636 VanDerWaalsContact OD1-C 3.3Å; D634-G636 VanDerWaalsContact OD1-CA 3.3Å; D634-G636 WeakPolarHBondContact OD1-CA 3.36Å; D634-G636 PolarHBondContact OD1-N 2.89Å; D634-G637 PolarHBondContact O-N 2.94Å; D634-G637 VanDerWaalsContact O-N 3.08Å; D634-G637 PolarHBondContact OD1-N 3.4Å; D634-R638 PolarHBondContact N-O 3.14Å; D634-R638 PolarHBondContact OD1-N 3Å
635I55.2Low45.3Very low184 Ų184110 Ų11094%0.94461%0.606SS**THydrogen-bonded Turntrans-65.5-16.2179.6-67.4171000112.2
636G45.7Very low44Very low66 Ų66114.5 Ų114.568%0.6862%0.621SS**THydrogen-bonded Turntrans-99.64.4174.200000114.6D634D634-G636 PolarHBondContact O-N 3.1Å; D634-G636 VanDerWaalsContact OD1-C 3.3Å; D634-G636 VanDerWaalsContact OD1-CA 3.3Å; D634-G636 WeakPolarHBondContact OD1-CA 3.36Å; D634-G636 PolarHBondContact OD1-N 2.89Å
637G43Very low42.6Very low53 Ų53114.8 Ų114.855%0.54663%0.632SS.*SBendtrans80.516-178.900000115.1D634D634-G637 PolarHBondContact O-N 2.94Å; D634-G637 VanDerWaalsContact O-N 3.08Å; D634-G637 PolarHBondContact OD1-N 3.4Å
638R40.7Very low41.5Very low195 Ų195119.5 Ų119.574%0.73665%0.647SS**  trans-88.8128.9178.1-64.5-176.5174.4-159.4-2.3111.6S633 D634 R640S633-R638 CarbonylContact C-O 3.57Å; S633-R638 VanDerWaalsContact CA-O 3.3Å; S633-R638 WeakPolarHBondContact CA-O 3.27Å; D634-R638 PolarHBondContact N-O 3.14Å; D634-R638 PolarHBondContact OD1-N 3Å; R638-R640 PolarHBondContact O-N 2.94Å
639L38.5Very low40.3Very low124 Ų124122.3 Ų122.365%0.64966%0.664SS**BIsolated β-bridgetrans-61.9129.3173.5-76.4168.3000111.6F632 I641F632-L639 HydrophobicContact CB-CD2 3.69Å; F632-L639 CarbonylContact O-C 3.5Å; F632-L639 WeakPolarHBondContact O-CA 3.43Å; L639-I641 PolarHBondContact O-N 2.92Å
640R35.3Very low39.1Very low139 Ų139124.4 Ų124.453%0.52568%0.676SS.*  trans-8199.1178.1-67.7177.5-173.9166.45.2111.7F632 R638 L642F632-R640 WeakPolarHBondContact O-CB 3.28Å; F632-R640 WeakPolarHBondContact O-CG 3.45Å; F632-R640 PolarHBondContact O-N 3.07Å; R638-R640 PolarHBondContact O-N 2.94Å; R640-L642 PolarHBondContact O-N 3.27Å
641I36.5Very low37.7Very low155 Ų155132 Ų13280%0.79569%0.69SS**  trans-71.4117.1161.7-57.9176.5000108.1L639 S643L639-I641 PolarHBondContact O-N 2.92Å; I641-S643 PolarHBondContact O-N 3Å; I641-S643 VanDerWaalsContact O-N 3.12Å
642L31.3Very low36.7Very low138 Ų138135.7 Ų135.772%0.72370%0.701SS**  trans-84.976.1179.1-67.5177.7000111.4R640R640-L642 PolarHBondContact O-N 3.27Å
643S30.4Very low35.8Very low110 Ų110136 Ų13677%0.76972%0.717SS**  trans-69.2126.2169.247.70000110.9I641 E645I641-S643 PolarHBondContact O-N 3Å; I641-S643 VanDerWaalsContact O-N 3.12Å; S643-E645 PolarHBondContact O-N 3.05Å
644F30.6Very low34.9Very low201 Ų201141.5 Ų141.588%0.88275%0.749SS**  trans-101.242.3-168.6-120-68000113.8
645E28.8Very low34Very low190 Ų190142.9 Ų142.989%0.88876%0.764SS**  trans-149.274.4-173.4-149.2155.2-123.100114.4S643S643-E645 PolarHBondContact O-N 3.05Å
646E30.6Very low32.7Very low188 Ų188140.8 Ų140.888%0.87976%0.76SS**  trans-150.3148.6161.1-133.9-179.1-144.700114.8
647V31Very low31.9Very low128 Ų128148.5 Ų148.578%0.77677%0.768SS**  trans60.7105.6168.8-167.40000118.8
648E26.9Very low31.5Very low169 Ų169151.8 Ų151.879%0.7978%0.783SS**  trans-86.7169.7158.2-62.7-175.4131.600112.2
649T30.4Very low31Very low129 Ų129145.8 Ų145.879%0.79178%0.781SS**  trans76.9160.7163.379.40000118.2
650P31.1Very low30.7Very low102 Ų102145.1 Ų145.166%0.66279%0.787SS**  -131.6159.3-58.237.3-23.6000112.5
651Y30.9Very low30.5Very low234 Ų234148.3 Ų148.392%0.91880%0.799SS**  trans-122.894.6170.1-89-75.4000111.8
652D30.6Very low30.3Very low145 Ų145146.4 Ų146.478%0.77579%0.791SS**  trans-76.5157.8156.2-84.3-46.6000110.6
653S28.2Very low30.3Very low116 Ų116144.7 Ų144.781%0.81179%0.79SS**  trans-41135-178.756.90000116.7
654V29Very low30.4Very low137 Ų137150 Ų15083%0.8380%0.795SS**  trans-124.3113.3155179.20000109.3
655S28.8Very low30.5Very low98 Ų98144.7 Ų144.769%0.68578%0.783SS**  trans-70.8138.8177177.40000111.7R657S655-R657 PolarHBondContact O-N 2.66Å
656V29.3Very low30.6Very low139 Ų139142.6 Ų142.684%0.84278%0.778SS**  trans-82109167.8178.50000109.3
657R28.6Very low30.8Very low229 Ų229139.9 Ų139.986%0.86477%0.77SS**  trans-13998162.9-80.8-167169.9-170.4-2.7111.5S655S655-R657 PolarHBondContact O-N 2.66Å
658S34Very low31Very low122 Ų122140.3 Ų140.385%0.85377%0.767SS**  trans-73116.4147.148.20000107.4
659G29.6Very low31.4Very low68 Ų68139.8 Ų139.870%0.70177%0.77SS**  trans-102.1172.1-16800000115.3
660S32.7Very low31.9Very low111 Ų111141.3 Ų141.378%0.77677%0.773SS**  trans-155.9138.7148.6-118.70000111.6
661R32.2Very low32.2Very low205 Ų205142.4 Ų142.477%0.77478%0.778SS**  trans65.5115.4146.2-62.9-171.882.6144.46.7120.9
662D30.7Very low32.8Very low115 Ų115138.8 Ų138.862%0.61577%0.771SS**  82.1130.5122.2-51.5-15000121.3
663S31.7Very low33Very low102 Ų102138.7 Ų138.771%0.71377%0.771SS**  trans73.4108.1152.5400000123.1
664Y32.3Very low33.5Very low221 Ų221141 Ų14187%0.86777%0.768SS**  62.9116.5128.3-69.1-71.5000124.2
665S32.9Very low34.1Very low90 Ų90138.9 Ų138.963%0.62976%0.76SS**  trans68.4110.2130.368.10000122.6
666N30.7Very low34.9Very low147 Ų147140 Ų14079%0.78677%0.765SS**  81.7144.4121.4-65.66.4000121.8
667N35.9Very low35.8Very low131 Ų131140.7 Ų140.770%0.70176%0.763SS**  trans83.2104160.6-59.30.3000118.8
668D35.8Very low37Very low136 Ų136131.5 Ų131.573%0.72773%0.734SS**  70.5125.2120.6-47.1-24.2000121.7
669D34.9Very low38.5Very low158 Ų158132.2 Ų132.285%0.84573%0.728SS**  trans35.3103.4143.3-60.1-17.7000119.7
670D39.6Very low40.4Very low161 Ų161134.5 Ų134.586%0.86172%0.721SS**  trans-148.8164.3137.9-134.2-31.1000113.4
671V38.2Very low42Very low126 Ų126132.7 Ų132.776%0.76470%0.702SS**  trans-89.1132.4-164.8-179.90000113.1
672M42.6Very low43.6Very low158 Ų158128 Ų12878%0.77869%0.692SS**  trans-97.2115.5168.4-74.4-70.1-67.800111
673D35.6Very low45.3Very low142 Ų142128.4 Ų128.476%0.75969%0.69SS**  trans-102.192.7177.5-164.118.8000109.4S675D673-S675 PolarHBondContact O-N 2.8Å
674E39.2Very low46.7Very low164 Ų164129.7 Ų129.777%0.76668%0.679SS**  trans-67.991.8-178-78.6-77.6122.800110.9
675S42Very low47.8Very low94 Ų94121.7 Ų121.766%0.65766%0.659SS**PPolyproline II helixtrans-66.6141.8173.4-66.60000110.9D673D673-S675 PolarHBondContact O-N 2.8Å
676P44.1Very low49Very low122 Ų122123.2 Ų123.279%0.79266%0.657SS**PPolyproline II helixtrans-63.4145.6178.627.5-34.7000111.3
677L49.3Very low49.8Very low153 Ų153122 Ų12280%0.80165%0.647SS**PPolyproline II helixtrans-47.5137.3177.3-74.3161.7000111.7
678S54.1Low50.2Low35 Ų35118.9 Ų118.925%0.24564%0.639CS.*PPolyproline II helixtrans-66.4147.317774.30000111E680 D681 L682S678-E680 PolarHBondContact O-N 2.95Å; S678-D681 PolarHBondContact O-N 2.62Å; S678-D681 VanDerWaalsContact O-N 3.07Å; S678-D681 PolarHBondContact OG-N 3.04Å; S678-D681 PolarHBondContact OG-OD2 3.09Å; S678-L682 PolarHBondContact O-N 2.96Å
679D64.3Low50.5Low137 Ų137116.9 Ų116.973%0.73364%0.636SS**Hα-helixtrans-58.5-27.8171.2-71.9-46.1000110.8L682 E683D679-L682 PolarHBondContact O-N 2.84Å; D679-E683 VanDerWaalsContact O-CB 3.31Å; D679-E683 WeakPolarHBondContact O-CB 3.37Å; D679-E683 PolarHBondContact O-N 2.88Å
680E70.5Confident50.7Low116 Ų116116.7 Ų116.754%0.54263%0.632SS.*Hα-helixtrans-72.2-27.2178-57.5149.5120.200112.7S678 R684S678-E680 PolarHBondContact O-N 2.95Å; E680-R684 WeakPolarHBondContact O-CB 3.36Å; E680-R684 WeakPolarHBondContact O-CD 3.13Å; E680-R684 WeakPolarHBondContact O-CG 3.38Å; E680-R684 PolarHBondContact O-N 3.35Å
681D64.7Low50.4Low73 Ų73113.1 Ų113.139%0.3962%0.62SS.*Hα-helixtrans-80.7-30.9171.2-68.2-50.4000112S678 R684 A685S678-D681 PolarHBondContact O-N 2.62Å; S678-D681 VanDerWaalsContact O-N 3.07Å; S678-D681 PolarHBondContact OG-N 3.04Å; S678-D681 PolarHBondContact OG-OD2 3.09Å; D681-R684 IonicContact OD1-CZ 3.87Å; D681-R684 IonicContact OD1-NH1 2.72Å; D681-R684 PolarHBondContact OD1-NH1 2.86Å; D681-A685 WeakPolarHBondContact O-CB 3.27Å; D681-A685 PolarHBondContact O-N 2.91Å
682L66.8Low50.4Low107 Ų107111.9 Ų111.956%0.5662%0.617SS**Hα-helixtrans-68.3-40.5169.6-172.365.4000110.9S678 D679 A685 M686S678-L682 PolarHBondContact O-N 2.96Å; D679-L682 PolarHBondContact O-N 2.84Å; L682-A685 PolarHBondContact O-N 3Å; L682-M686 WeakPolarHBondContact O-CG 3.21Å; L682-M686 PolarHBondContact O-N 3.5Å
683E65.8Low50Low123 Ų123109.3 Ų109.358%0.57561%0.61SS**Hα-helixtrans-63.5-47.8173.4-169.9163.1-133.600110.6D679 A685 M686 E687D679-E683 VanDerWaalsContact O-CB 3.31Å; D679-E683 WeakPolarHBondContact O-CB 3.37Å; D679-E683 PolarHBondContact O-N 2.88Å; E683-A685 VanDerWaalsContact C-N 3.29Å; E683-A685 PolarHBondContact O-N 3.22Å; E683-M686 CarbonylContact O-C 3.52Å; E683-M686 WeakPolarHBondContact O-CA 3.26Å; E683-M686 WeakPolarHBondContact O-CB 3.21Å; E683-M686 PolarHBondContact O-N 2.79Å; E683-E687 WeakPolarHBondContact O-CG 3.43Å; E683-E687 PolarHBondContact O-N 2.85Å
684R62.2Low50.1Low130 Ų130110.6 Ų110.649%0.49160%0.604SS.*Hα-helixtrans-58.9-35.8171.5-74.4168-155.7119.115.5113.3E680 D681 E687 A688E680-R684 WeakPolarHBondContact O-CB 3.36Å; E680-R684 WeakPolarHBondContact O-CD 3.13Å; E680-R684 WeakPolarHBondContact O-CG 3.38Å; E680-R684 PolarHBondContact O-N 3.35Å; D681-R684 IonicContact OD1-CZ 3.87Å; D681-R684 IonicContact OD1-NH1 2.72Å; D681-R684 PolarHBondContact OD1-NH1 2.86Å; R684-E687 PolarHBondContact O-N 3.34Å; R684-A688 WeakPolarHBondContact O-CB 3.48Å; R684-A688 PolarHBondContact O-N 3.45Å
685A54.8Low50.3Low52 Ų52106.1 Ų106.143%0.4359%0.591SS.*Hα-helixtrans-69.5-33.8175.400000112.1D681 L682 E683 S689D681-A685 WeakPolarHBondContact O-CB 3.27Å; D681-A685 PolarHBondContact O-N 2.91Å; L682-A685 PolarHBondContact O-N 3Å; E683-A685 VanDerWaalsContact C-N 3.29Å; E683-A685 PolarHBondContact O-N 3.22Å; A685-S689 WeakPolarHBondContact O-CB 3.16Å; A685-S689 PolarHBondContact O-N 3.28Å; A685-S689 VanDerWaalsContact O-N 3.12Å; A685-S689 PolarHBondContact O-OG 2.66Å
686M57.9Low50.2Low122 Ų122107.3 Ų107.360%0.60159%0.586SS**Hα-helixtrans-71.5-43.5171.1-73.3178.754.900111.7L682 E683 A688 S689 M690L682-M686 WeakPolarHBondContact O-CG 3.21Å; L682-M686 PolarHBondContact O-N 3.5Å; E683-M686 CarbonylContact O-C 3.52Å; E683-M686 WeakPolarHBondContact O-CA 3.26Å; E683-M686 WeakPolarHBondContact O-CB 3.21Å; E683-M686 PolarHBondContact O-N 2.79Å; M686-A688 PolarHBondContact O-N 2.87Å; M686-S689 CarbonylContact O-C 3.59Å; M686-S689 WeakPolarHBondContact O-CA 3.09Å; M686-S689 WeakPolarHBondContact O-CB 3.46Å; M686-S689 PolarHBondContact O-N 2.82Å; M686-S689 VanDerWaalsContact O-N 3.09Å; M686-M690 WeakPolarHBondContact O-CB 3.5Å; M686-M690 WeakPolarHBondContact O-CG 3.28Å; M686-M690 PolarHBondContact O-N 2.75Å
687E48.1Very low50.4Low123 Ų123105.9 Ų105.958%0.57557%0.568SS**Hα-helixtrans-61.8-40.9173.5-71.6-169.5132.800112.1E683 R684 S689 M690 S691E683-E687 WeakPolarHBondContact O-CG 3.43Å; E683-E687 PolarHBondContact O-N 2.85Å; R684-E687 PolarHBondContact O-N 3.34Å; E687-S689 VanDerWaalsContact C-N 3.25Å; E687-S689 PolarHBondContact O-N 2.58Å; E687-M690 PolarHBondContact O-N 3.05Å; E687-S691 WeakPolarHBondContact O-CB 3.29Å; E687-S691 PolarHBondContact O-N 3.29Å; E687-S691 PolarHBondContact O-OG 3.08Å
688A43.4Very low50.3Low65 Ų65103.2 Ų103.254%0.53755%0.554SS.*Hα-helixtrans-65-29.9173.500000112.4R684 M686 S691R684-A688 WeakPolarHBondContact O-CB 3.48Å; R684-A688 PolarHBondContact O-N 3.45Å; M686-A688 PolarHBondContact O-N 2.87Å; A688-S691 WeakPolarHBondContact CA-OG 3.12Å
689S43.3Very low49.9Very low94 Ų94107 Ų10766%0.65757%0.571SS**Hα-helixtrans-76.8-35.1173.6-58.20000112.3A685 M686 E687A685-S689 WeakPolarHBondContact O-CB 3.16Å; A685-S689 PolarHBondContact O-N 3.28Å; A685-S689 VanDerWaalsContact O-N 3.12Å; A685-S689 PolarHBondContact O-OG 2.66Å; M686-S689 CarbonylContact O-C 3.59Å; M686-S689 WeakPolarHBondContact O-CA 3.09Å; M686-S689 WeakPolarHBondContact O-CB 3.46Å; M686-S689 PolarHBondContact O-N 2.82Å; M686-S689 VanDerWaalsContact O-N 3.09Å; E687-S689 VanDerWaalsContact C-N 3.25Å; E687-S689 PolarHBondContact O-N 2.58Å
690M37.4Very low49.1Very low154 Ų154106.3 Ų106.376%0.75956%0.563SS**Hα-helixtrans-79.3-32.2179-70.2-78.8-78.700113.1M686 E687 S692 V693M686-M690 WeakPolarHBondContact O-CB 3.5Å; M686-M690 WeakPolarHBondContact O-CG 3.28Å; M686-M690 PolarHBondContact O-N 2.75Å; E687-M690 PolarHBondContact O-N 3.05Å; M690-S692 PolarHBondContact O-N 3.42Å; M690-V693 WeakPolarHBondContact O-CG2 3.39Å
691S35.2Very low48.1Very low86 Ų86107.2 Ų107.260%0.60157%0.565SS**  trans-79.43.3-178.258.10000114.5E687 A688 V693E687-S691 WeakPolarHBondContact O-CB 3.29Å; E687-S691 PolarHBondContact O-N 3.29Å; E687-S691 PolarHBondContact O-OG 3.08Å; A688-S691 WeakPolarHBondContact CA-OG 3.12Å; S691-V693 PolarHBondContact O-N 2.94Å
692S36.5Very low47.1Very low100 Ų100108.1 Ų108.170%0.69957%0.57SS**  trans-7341.9170.5-157.30000112.7M690 R694M690-S692 PolarHBondContact O-N 3.42Å; S692-R694 VanDerWaalsContact C-N 3.3Å; S692-R694 PolarHBondContact O-N 3.28Å
693V35Very low46Very low104 Ų104110.9 Ų110.963%0.6358%0.577SS**  trans-79.275.3-174.4-172.40000110.2M690 S691M690-V693 WeakPolarHBondContact O-CG2 3.39Å; S691-V693 PolarHBondContact O-N 2.94Å
694R37.5Very low44.9Very low168 Ų168107.9 Ų107.963%0.63457%0.573SS**  trans-112.1-1.4169.2-137.6171.3-170.9136.215.6114.6S692 H696 E697 I698S692-R694 VanDerWaalsContact C-N 3.3Å; S692-R694 PolarHBondContact O-N 3.28Å; R694-H696 PolarHBondContact O-N 3.24Å; R694-E697 IonicContact CZ-OE2 3.27Å; R694-E697 VanDerWaalsContact CZ-OE2 3.27Å; R694-E697 IonicContact NE-OE2 2.73Å; R694-E697 PolarHBondContact NE-OE2 3Å; R694-E697 IonicContact NH2-OE2 2.7Å; R694-E697 PolarHBondContact NH2-OE2 2.89Å; R694-E697 PolarHBondContact O-N 2.89Å; R694-I698 PolarHBondContact O-N 3.45Å
695S42.5Very low43.9Very low71 Ų71107.9 Ų107.950%0.49758%0.579SS.*Hα-helixtrans-54.9-33.4170.448.10000112.9I698 L699S695-I698 PolarHBondContact O-N 2.93Å; S695-L699 WeakPolarHBondContact O-CB 3.29Å; S695-L699 WeakPolarHBondContact O-CG 3.45Å; S695-L699 PolarHBondContact O-N 3.1Å
696H41.6Very low43.1Very low119 Ų119109.6 Ų109.655%0.55159%0.588SS**Hα-helixtrans-73.2-32.8-176.6-155.2-50.5000113.9R694 Q700R694-H696 PolarHBondContact O-N 3.24Å; H696-Q700 PolarHBondContact CE1-NE2 3.15Å; H696-Q700 WeakPolarHBondContact O-CB 3.39Å; H696-Q700 WeakPolarHBondContact O-CG 3.36Å; H696-Q700 PolarHBondContact O-N 2.87Å
697E47.1Very low42Very low92 Ų92111.7 Ų111.743%0.4359%0.594SS.*Hα-helixtrans-69-42.5171.1-73.9-165.594.500110.9R694 Q700 K701R694-E697 IonicContact CZ-OE2 3.27Å; R694-E697 VanDerWaalsContact CZ-OE2 3.27Å; R694-E697 IonicContact NE-OE2 2.73Å; R694-E697 PolarHBondContact NE-OE2 3Å; R694-E697 IonicContact NH2-OE2 2.7Å; R694-E697 PolarHBondContact NH2-OE2 2.89Å; R694-E697 PolarHBondContact O-N 2.89Å; E697-Q700 PolarHBondContact O-N 3.41Å; E697-K701 PolarHBondContact O-N 3.37Å
698I47.3Very low41.3Very low97 Ų97115 Ų11550%0.49761%0.606SS.*Hα-helixtrans-67.2-44.6-177.1-63.3169.8000110.4R694 S695 Q700 K701 L702R694-I698 PolarHBondContact O-N 3.45Å; S695-I698 PolarHBondContact O-N 2.93Å; I698-Q700 VanDerWaalsContact C-N 3.32Å; I698-Q700 PolarHBondContact O-N 2.99Å; I698-K701 PolarHBondContact O-N 3Å; I698-L702 HydrophobicContact CG2-CD1 3.98Å; I698-L702 HydrophobicContact CG2-CG 4.49Å; I698-L702 WeakPolarHBondContact O-CG 3.22Å; I698-L702 PolarHBondContact O-N 3.04Å
699L47Very low40.8Very low115 Ų115119.7 Ų119.760%0.60262%0.622SS**Hα-helixtrans-65.4-31.9175.2-74.2168.6000112.7S695 K703S695-L699 WeakPolarHBondContact O-CB 3.29Å; S695-L699 WeakPolarHBondContact O-CG 3.45Å; S695-L699 PolarHBondContact O-N 3.1Å; L699-K703 WeakPolarHBondContact O-CB 3.48Å; L699-K703 PolarHBondContact O-N 2.85Å
700Q47.4Very low40Very low122 Ų122120.6 Ų120.657%0.5762%0.623SS**Hα-helixtrans-70.6-38.1172.5-80.5-177.2-1500112.7H696 E697 I698 K703 A704H696-Q700 PolarHBondContact CE1-NE2 3.15Å; H696-Q700 WeakPolarHBondContact O-CB 3.39Å; H696-Q700 WeakPolarHBondContact O-CG 3.36Å; H696-Q700 PolarHBondContact O-N 2.87Å; E697-Q700 PolarHBondContact O-N 3.41Å; I698-Q700 VanDerWaalsContact C-N 3.32Å; I698-Q700 PolarHBondContact O-N 2.99Å; Q700-K703 PolarHBondContact O-N 3.25Å; Q700-A704 PolarHBondContact O-N 3.32Å; Q700-A704 VanDerWaalsContact O-N 3.08Å
701K49Very low39.6Very low134 Ų134121 Ų12158%0.58363%0.629SS**Hα-helixtrans-65.5-48.7174.3-75.6-177.9176.5178.10112.3E697 I698 K703 A704 E705E697-K701 PolarHBondContact O-N 3.37Å; I698-K701 PolarHBondContact O-N 3Å; K701-K703 VanDerWaalsContact C-N 3.26Å; K701-K703 PolarHBondContact O-N 3.26Å; K701-A704 WeakPolarHBondContact O-CA 3.39Å; K701-A704 WeakPolarHBondContact O-CB 3.48Å; K701-A704 PolarHBondContact O-N 2.7Å; K701-E705 PolarHBondContact O-N 2.95Å
702L43.9Very low39.7Very low93 Ų93122.7 Ų122.749%0.48764%0.641SS.*Hα-helixtrans-60.5-35.7176.2-67.1171.1000112I698 A704 S706I698-L702 HydrophobicContact CG2-CD1 3.98Å; I698-L702 HydrophobicContact CG2-CG 4.49Å; I698-L702 WeakPolarHBondContact O-CG 3.22Å; I698-L702 PolarHBondContact O-N 3.04Å; L702-A704 VanDerWaalsContact C-N 3.28Å; L702-A704 PolarHBondContact O-N 2.74Å; L702-S706 VanDerWaalsContact O-CB 3.29Å; L702-S706 WeakPolarHBondContact O-CB 3.28Å; L702-S706 PolarHBondContact O-N 3.08Å
703K43.8Very low39.4Very low164 Ų164125.5 Ų125.571%0.71365%0.648SS**Hα-helixtrans-75.4-11.3175-163.5167.7-172.7172.60114L699 Q700 K701L699-K703 WeakPolarHBondContact O-CB 3.48Å; L699-K703 PolarHBondContact O-N 2.85Å; Q700-K703 PolarHBondContact O-N 3.25Å; K701-K703 VanDerWaalsContact C-N 3.26Å; K701-K703 PolarHBondContact O-N 3.26Å
704A41Very low39.3Very low60 Ų60129.1 Ų129.150%0.49666%0.663SS.*Hα-helixtrans-90.9-45168.600000111.6Q700 K701 L702 S706 K707Q700-A704 PolarHBondContact O-N 3.32Å; Q700-A704 VanDerWaalsContact O-N 3.08Å; K701-A704 WeakPolarHBondContact O-CA 3.39Å; K701-A704 WeakPolarHBondContact O-CB 3.48Å; K701-A704 PolarHBondContact O-N 2.7Å; L702-A704 VanDerWaalsContact C-N 3.28Å; L702-A704 PolarHBondContact O-N 2.74Å; A704-S706 VanDerWaalsContact C-N 3.29Å; A704-S706 PolarHBondContact O-N 3.19Å; A704-K707 WeakPolarHBondContact O-CB 3.49Å; A704-K707 PolarHBondContact O-N 3.27Å; A704-K707 VanDerWaalsContact O-N 3.13Å
705E42Very low38.8Very low130 Ų130125.8 Ų125.861%0.60767%0.665SS**Hα-helixtrans-65.8-31179.3-70.5167.7177.300112.2K701 K707 F708K701-E705 PolarHBondContact O-N 2.95Å; E705-K707 PolarHBondContact O-N 3.2Å; E705-F708 PolarHBondContact O-N 3.15Å
706S37.8Very low38.3Very low89 Ų89132.1 Ų132.162%0.62268%0.684SS**THydrogen-bonded Turntrans-56.7-11.6170.6179.50000115L702 A704L702-S706 VanDerWaalsContact O-CB 3.29Å; L702-S706 WeakPolarHBondContact O-CB 3.28Å; L702-S706 PolarHBondContact O-N 3.08Å; A704-S706 VanDerWaalsContact C-N 3.29Å; A704-S706 PolarHBondContact O-N 3.19Å
707K36Very low37.6Very low165 Ų165132.5 Ų132.572%0.71770%0.695SS**THydrogen-bonded Turntrans-92.12.6-177.7-65.4-171.8174.6-175.10115.2A704 E705A704-K707 WeakPolarHBondContact O-CB 3.49Å; A704-K707 PolarHBondContact O-N 3.27Å; A704-K707 VanDerWaalsContact O-N 3.13Å; E705-K707 PolarHBondContact O-N 3.2Å
708F32.5Very low36.8Very low192 Ų192134.1 Ų134.184%0.84272%0.716SS**SBendtrans-110.91.9-175.1-114.1-89.7000115.8E705E705-F708 PolarHBondContact O-N 3.15Å
709L31.7Very low35.9Very low164 Ų164134.1 Ų134.186%0.85973%0.731SS**  trans-127.758.3-177-72.1173.9000112.9
710T28.2Very low35Very low113 Ų113133.9 Ų133.969%0.69374%0.737SS**  trans-125.573.5173.656.50000111.2
711N27.5Very low33.9Very low163 Ų163131.6 Ų131.687%0.87275%0.747SS**  trans-165.380.2169.1-106.6-30000113.5
712S37.5Very low33Very low122 Ų122135.3 Ų135.385%0.85376%0.759SS**  trans-170131145.78.10000109.7
713N30.4Very low32.3Very low159 Ų159136.4 Ų136.485%0.8577%0.771SS**  trans-92145.7178.6-60.5-53.2000110.9
714L33.8Very low31.5Very low180 Ų180138.3 Ų138.394%0.94278%0.78SS**  -157.7135.8129.6-108.8164.4000108.9
715S27.5Very low31.3Very low97 Ų97140.2 Ų140.268%0.67880%0.796SS**  trans-123.9143.2-168.151.40000111.8
716F30.2Very low30.7Very low205 Ų205140.9 Ų140.990%0.89980%0.803SS**  trans-143.6128148.1-142.2-93.6000109.2
717T26.7Very low30.6Very low127 Ų127144.5 Ų144.578%0.77982%0.816SS**  trans-128.9143.1-178.946.30000109.7
718S31.6Very low30.3Very low125 Ų125141.1 Ų141.187%0.87481%0.813SS**  trans-144128157.9-175.50000107
719A27.3Very low30.2Very low97 Ų97139.4 Ų139.480%0.80281%0.812SS**  trans-143.7144.4-175.400000109.1
720C28.4Very low30.1Very low110 Ų110136.3 Ų136.374%0.74380%0.804SS**  trans-145.7110.9166.7-158.70000110Y722C720-Y722 VanDerWaalsContact SG-CE2 3.5Å
721G24.9Very low30.3Very low75 Ų75136.6 Ų136.677%0.77381%0.811SS**  trans-140.7127168.300000107.8
722Y29.5Very low30.3Very low212 Ų212136.3 Ų136.383%0.83181%0.809SS**  trans-95.3142.7-177.8-84.6-84.4000111.7C720C720-Y722 VanDerWaalsContact SG-CE2 3.5Å
723P29.5Very low30.2Very low116 Ų116135.6 Ų135.675%0.75380%0.801SS**  trans-88.2168.3-166.936-37.4000113.6
724K28.2Very low30Very low203 Ų203133.9 Ų133.988%0.88380%0.796SS**  trans-113.9137.6156.4-74.9-176175.1-179.50109.3
725A35.9Very low29.6Very low101 Ų101130.4 Ų130.484%0.83579%0.787SS**  trans-88.9156.6164.400000110.2
726N29.1Very low29.7Very low144 Ų144131.9 Ų131.977%0.7779%0.791SS**  trans-88.6159.2177.7-54.4-44000110.8
727D35.5Very low29.5Very low164 Ų164133.5 Ų133.588%0.87779%0.794SS**  -165.1171.6100.7-100-17.6000113
728S30.1Very low29.5Very low95 Ų95136.7 Ų136.766%0.66480%0.796SS**  trans-94.9148-161.660.40000114.7
729L31.2Very low29.3Very low156 Ų156135.5 Ų135.582%0.81779%0.788SS**  178133.3111.5-94.7160.1000114
730S28.6Very low29.4Very low98 Ų98139.1 Ų139.169%0.68579%0.793SS**  trans36.2139.6149.262.10000123.5
731S32.8Very low29.6Very low120 Ų120138.6 Ų138.684%0.83979%0.791SS**  trans96.6132.7151.9790000119.6
732N27.5Very low30Very low157 Ų157141.2 Ų141.284%0.8479%0.794SS**  trans-100173175.9-88.5-34.5000109
733P34.6Very low29.9Very low106 Ų106134.7 Ų134.769%0.68878%0.784SS**  cis-139.4-163-18.630.9-6.7000113.3
734V26.5Very low30.1Very low124 Ų124140.6 Ų140.675%0.75279%0.793SS**  trans67.3102.6158.8-1720000118.9
735S26.7Very low30.1Very low106 Ų106138.7 Ų138.774%0.74179%0.787SS**  trans66.7136.515180.40000119.5
736V28.7Very low29.7Very low128 Ų128137.4 Ų137.478%0.77677%0.772SS**  179.3133.8125.4145.10000108.6K738V736-K738 HydrophobicContact CG1-CB 4.44Å
737Y25.3Very low29.5Very low240 Ų240137.5 Ų137.594%0.94177%0.768SS**  trans-80114.4164.4-113.3-91000108.4
738K28.4Very low29.1Very low193 Ų193141.1 Ų141.184%0.83977%0.771SS**  trans-157.7139.9150.3-121.1170.6-174.9179.70113.9V736V736-K738 HydrophobicContact CG1-CB 4.44Å
739S26.9Very low29.1Very low101 Ų101141.3 Ų141.371%0.70677%0.768SS**  trans-67.9153.817151.90000112.8
740L29Very low28.7Very low173 Ų173139.3 Ų139.391%0.90677%0.767SS**  -160.7152.2119.5-103.1161.3000110.3
741S31.9Very low28.8Very low98 Ų98142.5 Ų142.569%0.68578%0.775SS**  trans-100-174.8176.2540000111
742P33.6Very low28.4Very low130 Ų130141.1 Ų141.184%0.84477%0.766SS**  -134.4171.310737-27.3000114.9
743A27.9Very low28.4Very low76 Ų76140.9 Ų140.963%0.62876%0.76SS**  trans-84.6167.3-164.900000115.9
744Y32.6Very low28.1Very low239 Ų239146.4 Ų146.494%0.93777%0.767SS**  trans-129.8140.9137.9-100.3-88.2000109.8
745H28.2Very low28.2Very low163 Ų163145.6 Ų145.676%0.75576%0.762SS**  trans-88.1174.4169.6-109.9-116.9000109.3
746S27.7Very low28.4Very low75 Ų75147.5 Ų147.552%0.52476%0.764SS.*  cis-152.4159.117.8-140.10000114.3
747E25.1Very low28.9Very low146 Ų146146.7 Ų146.768%0.68276%0.762SS**  trans37.7123.8141.8-67.5154.4148.300121.8
748Y28.3Very low29.2Very low239 Ų239144.7 Ų144.794%0.93776%0.761SS**  -130.3146.1111.8-127-92.9000110
749V29.5Very low29.3Very low99 Ų99138.8 Ų138.860%0.675%0.754SS**  trans-87.2126.6-159.4174.80000113.2L751V749-L751 HydrophobicContact CG1-CB 4.4Å; V749-L751 HydrophobicContact CG1-CG 4.39Å; V749-L751 PolarHBondContact O-N 3.11Å
750S23.9Very low29.6Very low115 Ų115143.6 Ų143.680%0.80476%0.763SS**  trans-81.496.4160.856.10000110.1
751L29.1Very low29.4Very low164 Ų164144.3 Ų144.386%0.85976%0.761SS**  trans-83.4144.5175-127.8157.9000110.2V749V749-L751 HydrophobicContact CG1-CB 4.4Å; V749-L751 HydrophobicContact CG1-CG 4.39Å; V749-L751 PolarHBondContact O-N 3.11Å
752S25.4Very low29.3Very low92 Ų92150.6 Ų150.664%0.64377%0.77SS**  trans-125.5170.1-164.3-172.30000111.8
753Q26.6Very low28.8Very low152 Ų152148.5 Ų148.571%0.7176%0.758SS**  trans68.1109169.4-43.1175.44.900116.8
754R28.9Very low28.9Very low222 Ų222155.3 Ų155.384%0.83877%0.769SS**  173141101.9-92.5164-175.7176.50.2113.9
755T27.8Very low28.5Very low106 Ų106151.6 Ų151.665%0.6576%0.76SS**  trans-13.7147.3133.846.70000115.7
756D32.2Very low28.4Very low146 Ų146152 Ų15278%0.78176%0.763SS**  cis-158.2-172.320.1-114.5-15000111.5
757P39.1Very low28.5Very low111 Ų111156.7 Ų156.772%0.72177%0.774SS**  trans-100.1-159.6-155.442.2-40.8000116.6
758E30.6Very low28.5Very low199 Ų199157.5 Ų157.593%0.9378%0.783SS**  trans89.9147.9176.9-55.1-159.2150.100117.7
759G31.2Very low28.5Very low68 Ų68149.3 Ų149.370%0.70177%0.772SS**  trans132.959.8149.600000121
760K32.4Very low28.5Very low203 Ų203150.5 Ų150.588%0.88378%0.784SS**  trans67.1124.4146.2-64.2170.2-178.3169.40120.7
761E25.6Very low28.7Very low187 Ų187148.9 Ų148.987%0.87478%0.778SS**  trans-29144151.6-54.1159129.500116.3
762R29.9Very low28.6Very low231 Ų231149.3 Ų149.387%0.87278%0.775SS**  -149.5127123.7-118.1175.4-172179.41.5111.3
763S23.6Very low28.6Very low85 Ų85151.3 Ų151.359%0.59478%0.776SS**  trans-70.1151.5165.444.50000110.5
764Y28.7Very low29Very low220 Ų220152.4 Ų152.486%0.86379%0.786SS**  trans-127.3116.2140.7-96.3-82.2000107.2
765E25.1Very low28.9Very low160 Ų160149.2 Ų149.275%0.74878%0.778SS**  trans-83.2-177.7170.7-64.8172.4104.200109.8
766E26.8Very low28.9Very low171 Ų171152.9 Ų152.980%0.79979%0.785SS**  trans69.9150.9162.8-69.5-174.9158.200117.3
767F28.1Very low28.9Very low174 Ų174155.9 Ų155.976%0.76379%0.792SS**  cis-133.2155.114.2-144.8-86.4000111.4
768N25.8Very low28.6Very low163 Ų163154.4 Ų154.487%0.87279%0.789SS**  trans-117.2124.6174.8-155.41.2000109.4
769G28.2Very low28.8Very low68 Ų68150.7 Ų150.770%0.70178%0.78SS**  trans130.2163.9-171.400000112.4
770S30.2Very low29Very low124 Ų124155.2 Ų155.287%0.86778%0.782SS**  cis-134.1168.55-177.50000111.4
771A27.3Very low28.8Very low80 Ų80150.6 Ų150.666%0.66178%0.776SS**  trans-78.9161.1167.900000113
772E26.3Very low29.1Very low174 Ų174144.9 Ų144.981%0.81376%0.76SS**  trans72.4155.3155.1-73.2-151.398.400123.1
773M26.2Very low29.2Very low133 Ų133145.4 Ų145.466%0.65576%0.764SS**  trans70.3106.5160.6-76.3-168.5-77.500121.9K775M773-K775 HydrophobicContact CG-CD 4.45Å
774L34.2Very low29.5Very low176 Ų176144.7 Ų144.792%0.92177%0.77SS**  trans174.288.3130.3-95165.4000107.2
775K27Very low29.4Very low154 Ų154143.3 Ų143.367%0.6777%0.771SS**  cis72.7107.740-129175.1-166.8166.50114.3M773M773-K775 HydrophobicContact CG-CD 4.45Å
776K27.9Very low29.8Very low184 Ų184143.1 Ų143.180%0.877%0.774SS**  trans78103.7163.8-58.1178.5175.3-178.80119.7
777F32.8Very low30Very low209 Ų209141.8 Ų141.892%0.91777%0.771SS**  -141.1130.497-79-86.9000105.3
778A33.3Very low30Very low80 Ų80140.3 Ų140.366%0.66177%0.767SS**  cis66.7122.449.400000112
779T34Very low30.1Very low120 Ų120140.9 Ų140.974%0.73676%0.761SS**  cis-157.7177.7-2.2-10.50000107
780H34.4Very low30.5Very low164 Ų164143.2 Ų143.276%0.75977%0.765SS**  cis-147160.619-103.9-59.7000108.5
781S30.2Very low30.3Very low106 Ų106145.6 Ų145.674%0.74176%0.764SS**  63.6134.269.1-162.60000115.8
782A31.5Very low30.4Very low66 Ų66147.1 Ų147.155%0.54577%0.765SS.*  cis-173172.7-20.100000110.2
783Y30.5Very low30.5Very low243 Ų243144.2 Ų144.295%0.95376%0.759SS**  trans66.2156.9172.7-59.9-84.6000116.4
784G31.4Very low30.5Very low70 Ų70146.7 Ų146.772%0.72277%0.769SS**  cis-179.3163.2-5.900000111.5
785E27.1Very low30.2Very low191 Ų191142.1 Ų142.189%0.89375%0.752SS**  trans-75.8146.8176.9-63.2172.8102.300112.7
786L31.9Very low30.3Very low155 Ų155143 Ų14381%0.81276%0.759SS**  trans170.2112.2151.1-90.4154.2000107
787I30.7Very low30.6Very low143 Ų143143.2 Ų143.273%0.73376%0.762SS**  79.2110.481.3-72.7-172.3000115.2
788E29.1Very low30.5Very low143 Ų143141.3 Ų141.367%0.66876%0.756SS**  trans62.6115.3148.1-69.6-162.9125.200124.6
789K28.6Very low30.6Very low175 Ų175141.3 Ų141.376%0.76175%0.75SS**  84.1157.8125.3-75.8173.9-179.4161.80119.2
790P35.3Very low30.6Very low118 Ų118144.9 Ų144.977%0.76676%0.755SS**  trans-132-160.4-132.546-31.5000115.4
791M25.6Very low30.5Very low173 Ų173145.3 Ų145.385%0.85276%0.757SS**  trans98.2158154.4-155174.9155.300116.8
792V30.7Very low30.9Very low112 Ų112144.6 Ų144.668%0.67975%0.75SS**  trans70.584.6170.8-168.90000114.5
793T27.3Very low30.9Very low114 Ų114146 Ų14670%0.69976%0.756SS**  83.1145.170.6610000116.3
794Q27.5Very low30.8Very low185 Ų185139 Ų13986%0.86474%0.743SS**  trans72.1148.5165.9-69.6166.8-21.500116.8
795S27.2Very low30.9Very low80 Ų80142.5 Ų142.556%0.55974%0.744SS**  cis-163.1164-18.553.50000111.3
796E30Very low31.1Very low173 Ų173141 Ų14181%0.80874%0.737SS**  trans59.6160.7160.8-70.5125.2176.400117.8
797E33.5Very low30.8Very low188 Ų188139 Ų13988%0.87973%0.731SS**  cis-141164.44.4-148.2177.916500111.5
798E30Very low30.7Very low169 Ų169142 Ų14279%0.7974%0.739SS**  trans-103.7-161173.9-123.6-155.217600109.9
799P36.1Very low30.6Very low80 Ų80139.6 Ų139.652%0.51974%0.744SS.*  -123.4-173.8-56.632.9-16.6000111.6
800K34.5Very low30.7Very low195 Ų195138 Ų13885%0.84875%0.748SS**  176.9127.3121.1-94.6148-165.4153.30115.7
801E32.8Very low30.4Very low172 Ų172138 Ų13880%0.80475%0.749SS**  trans-73.7-175.4151.5-121.5-155-127.600109.8
802P37.9Very low30.9Very low91 Ų91135.1 Ų135.159%0.59174%0.744SS**  cis-145.1-174.321.843.5-23.4000117.6
803S30.5Very low30.9Very low97 Ų97138.3 Ų138.368%0.67875%0.751SS**  trans74.1156.2142.185.20000119.1
804S29.6Very low31.2Very low96 Ų96137.9 Ų137.967%0.67175%0.753SS**  cis-172-177-19.9500000111.9
805L32.9Very low31.6Very low142 Ų142136.2 Ų136.274%0.74375%0.748SS**  trans87.8106.3156.4-62.6169.6000121.8
806Q30.9Very low31.8Very low160 Ų160139.9 Ų139.975%0.74876%0.761SS**  72.8102.6123.6-70.4-172.118.100122.9
807T25.2Very low32Very low112 Ų112136.5 Ų136.569%0.68776%0.757SS**  38121.3119.961.30000120.7
808K29.5Very low32.1Very low207 Ų207136.7 Ų136.790%0.975%0.754SS**  -170.5163.3102.5-100.1160.1-173.7173.20111.4
809A26.4Very low32.4Very low93 Ų93133.9 Ų133.977%0.76975%0.749SS**  trans-89.7157.617200000111.2
810V30.7Very low32.2Very low140 Ų140140.8 Ų140.885%0.84877%0.765SS**  trans177.1145.3138.6144.60000109.1
811C29.5Very low32.2Very low118 Ų118137.8 Ų137.880%0.79776%0.762SS**  trans-109.8135172.9179.70000110
812P36.2Very low32.3Very low114 Ų114132.8 Ų132.874%0.7476%0.757SS**  trans-108.4148.3170.236.3-28.2000113.4
813Q31.9Very low32.3Very low179 Ų179137.8 Ų137.884%0.83677%0.772SS**  trans-102.1161.5175.9-71.8-172.8-44.600113.2
814S33Very low32.4Very low104 Ų104136.3 Ų136.373%0.72777%0.766SS**  trans73146.6144.876.20000120.2
815I34.9Very low32.6Very low150 Ų150138 Ų13877%0.76977%0.772SS**  -173.1114114.4-96162.6000113.2
816L33Very low32.7Very low157 Ų157137.2 Ų137.282%0.82277%0.774SS**  trans53.2143.7142.3-64.6168.7000126.7
817S33.9Very low32.7Very low103 Ų103135.1 Ų135.172%0.7277%0.772SS**  trans102139138.8800000119.3
818K35.5Very low33.2Very low191 Ų191137.3 Ų137.383%0.8378%0.779SS**  cis-165.1156.2-9.2-117.6176.7-176.1176.50113.1
819V34.9Very low33.5Very low111 Ų111133.3 Ų133.367%0.67377%0.767SS**  trans88.4112.81401620000123.7
820W33.2Very low33.7Very low225 Ų225135.1 Ų135.185%0.85276%0.764SS**  trans90.490.7134.4-75.921.4000126.3
821T34.2Very low33.8Very low131 Ų131139.6 Ų139.680%0.80477%0.766SS**  47.4135.1110.957.40000125.2
822G35Very low33.9Very low67 Ų67138.9 Ų138.969%0.69176%0.762SS**  trans156.290.8137.600000121.3
823H36.8Very low33.8Very low196 Ų196138.1 Ų138.191%0.90776%0.759SS**  trans42.4161.5145.7-70.9-112.9000123.5
824A33.9Very low33.9Very low67 Ų67138.2 Ų138.255%0.55476%0.759SS**  cis-177.6145.1-33.300000111.5
825T33Very low33.7Very low130 Ų130139.6 Ų139.680%0.79876%0.763SS**  trans54.3154.6146.8530000121.5
826T35Very low33.8Very low126 Ų126137.4 Ų137.477%0.77376%0.759SS**  cis-160.4165.242.10000113.7
827T31.2Very low33.6Very low116 Ų116135.7 Ų135.771%0.71276%0.755SS**  trans-38.1155.516952.40000121.8
828L36.6Very low33.4Very low159 Ų159138.7 Ų138.783%0.83276%0.761SS**  -177.8165.7113-99.1165000117.8
829D33.8Very low33.1Very low122 Ų122134.1 Ų134.165%0.65275%0.754SS**  trans-61151.4-159.1-92.4-66.3000125.8
830N32.6Very low33.1Very low132 Ų132134.8 Ų134.871%0.70676%0.763SS**  28140.8127.1-80.3-68.9000121.5
831R32.2Very low32.9Very low234 Ų234134.2 Ų134.288%0.88377%0.767SS**  177.7154.457.9-137.2170.3-163.9-168.85.1114.9
832S31.2Very low32.9Very low103 Ų103131.3 Ų131.372%0.7276%0.763SS**  trans88.3133.3140.2-156.40000125.6
833S34.2Very low32.7Very low97 Ų97137.4 Ų137.468%0.67877%0.77SS**  trans72.1113.5142.144.60000125
834H33.2Very low32.4Very low181 Ų181134 Ų13484%0.83877%0.769SS**  19.9147.7122.5-67-92.9000120.4
835V30.2Very low32.4Very low133 Ų133136 Ų13681%0.80678%0.778SS**  cis-149155.938.9176.80000110.9
836P37.3Very low32.4Very low105 Ų105137 Ų13768%0.68278%0.777SS**  trans-110.8-161.7-176.139.7-28.4000115.7
837V28.6Very low32.4Very low121 Ų121136.4 Ų136.473%0.73378%0.775SS**  trans89109.6165-157.30000117.7
838L29.7Very low32.3Very low165 Ų165137 Ų13786%0.86478%0.779SS**  -174159.4110.9-99.4174.6000115
839S28.8Very low32.2Very low96 Ų96134.5 Ų134.567%0.67178%0.781SS**  trans-85.4162.1-170.155.30000116.3
840S34.1Very low32.1Very low124 Ų124133.2 Ų133.287%0.86779%0.788SS**  trans-161.4169130.851.50000112.9
841F29.8Very low32.4Very low214 Ų214133.1 Ų133.194%0.93980%0.795SS**  trans-118.3144.6-170.9-94.5-107.3000112.7
842G33.8Very low32.4Very low69 Ų69128.2 Ų128.271%0.71179%0.786SS**  trans170.6155.515300000112.4
843K31.4Very low32.6Very low196 Ų196131.1 Ų131.185%0.85279%0.792SS**  cis161.1127.5-25-112.3-175.6178.5-177.50105
844S29.9Very low32.6Very low124 Ų124132.5 Ų132.587%0.86779%0.791SS**  trans66.2162.9173.182.70000115.7
845S34.8Very low32.7Very low108 Ų108128.2 Ų128.276%0.75579%0.787SS**  cis-145.1-177.65.258.30000112.5
846I31Very low32.8Very low151 Ų151131.2 Ų131.277%0.77479%0.785SS**  trans-121130.3-176.7-67.6162.9000108.7
847P36.2Very low32.6Very low114 Ų114136.7 Ų136.774%0.7479%0.792SS**  -139.8145.6107.325.4-5.5000112.6
848T29.6Very low32.9Very low129 Ų129133.8 Ų133.879%0.79179%0.787SS**  67.487.460.7-50.70000113.9
849A33.6Very low33.4Very low106 Ų106131.5 Ų131.588%0.87678%0.782SS**  trans-154.2142.1154.400000109.9
850A31.1Very low33.6Very low95 Ų95133.9 Ų133.979%0.78579%0.785SS**  trans-135.9150166.900000108.3
851P39.8Very low33.4Very low131 Ų131134.4 Ų134.485%0.85178%0.778SS**  trans-111.4154.5146.234.4-28.6000110.9
852N31.9Very low33.4Very low130 Ų130133.1 Ų133.170%0.69577%0.772SS**  trans-128.6125.5-177.2176.75.3000108
853I36.4Very low33.3Very low165 Ų165134.5 Ų134.585%0.84678%0.777SS**  trans-128.8115173.5-63-177.1000108.3
854N32.5Very low33.3Very low125 Ų125130.8 Ų130.867%0.66878%0.775SS**  trans-94.3137.3176.6-78.6-60.9000111.4
855A35.6Very low33.3Very low91 Ų91129.8 Ų129.875%0.75277%0.768SS**  trans-132.3114.1142.200000106.5
856Y33Very low33.1Very low197 Ų197131.4 Ų131.477%0.77377%0.766SS**  57.512779.4-76.3-65.6000112.4
857R33.6Very low33.2Very low219 Ų219131.6 Ų131.683%0.82676%0.763SS**  cis-158154.28.5-167.9-176.5-80.8175.7-6.9109.7
858G35.3Very low32.8Very low61 Ų61136.4 Ų136.463%0.62977%0.767SS**  trans-82.4-147.1163.100000111.8
859P38.8Very low33Very low116 Ų116135 Ų13575%0.75377%0.768SS**  cis-149.3-1604.841.7-18.8000115.5
860M33.8Very low32.9Very low147 Ų147138.2 Ų138.272%0.72476%0.763SS**  trans71.2108.4152.3-60.9-92-7800121.5
861D29Very low33.1Very low135 Ų135142.6 Ų142.672%0.72277%0.769SS**  43.1160109.9-55-30.9000124.9
862F29.9Very low32.7Very low187 Ų187141.6 Ų141.682%0.8276%0.76SS**  trans96.598.9159.7-80.8-87.4000122.1
863A32.5Very low32.7Very low98 Ų98144.1 Ų144.181%0.8177%0.768SS**  71.5173.6123.300000121
864S31Very low32.5Very low117 Ų117144.2 Ų144.282%0.81876%0.764SS**  trans-106.6157.3-167.4-50.50000113.8
865S30.7Very low32.5Very low103 Ų103147.3 Ų147.372%0.7277%0.772SS**  trans106.4134.3139.1-145.90000119.4
866M30.5Very low32.4Very low143 Ų143147.1 Ų147.170%0.70477%0.765SS**  trans72.1116.5154.5-74.6-165.6-59.900123.3
867Q31.8Very low32.3Very low155 Ų155143.8 Ų143.872%0.72477%0.765SS**  89.6101.5121.3-70.4177.23.200122.9
868R29.2Very low32.3Very low214 Ų214140.4 Ų140.481%0.80876%0.764SS**  81.195.6104.5-163.6-167.9-157.6-170.78.3120.5
869A33.5Very low32Very low100 Ų100146.5 Ų146.583%0.82678%0.776SS**  trans-142.4130136.700000108.3
870K31.1Very low31.6Very low174 Ų174147.1 Ų147.176%0.75778%0.777SS**  cis91.377.541.5-95.6-160.1170.1-170.40116
871M34.7Very low31.4Very low186 Ų186145.4 Ų145.492%0.91679%0.787SS**  trans-143.4123141.5-7917362.300105
872V31.8Very low31.6Very low111 Ų111144.7 Ų144.767%0.67379%0.788SS**  cis96.979.424.1-173.30000114.1
873E31.7Very low31.5Very low183 Ų183144.9 Ų144.986%0.85579%0.788SS**  trans-155.9119.4133.8-94.5-169.4116.800105.8
874H32.4Very low31.3Very low166 Ų166147.3 Ų147.377%0.76979%0.793SS**  54.612182.2-71.6-82.7000112.9
875K33Very low31.3Very low190 Ų190144.9 Ų144.983%0.82679%0.786SS**  -156.1151.250.8-124.9167.4-173.81700115
876S33.9Very low31.1Very low87 Ų87149.1 Ų149.161%0.60879%0.791SS**  trans37.5115.2149.955.10000120.7
877T30.1Very low31.1Very low128 Ų128151.6 Ų151.679%0.78580%0.798SS**  76.6146.955.669.90000116.2
878N33Very low30.9Very low147 Ų147149.6 Ų149.679%0.78680%0.797SS**  trans101.1104.5-172.7-58.43.8000110.5
879E29Very low30.9Very low189 Ų189150.6 Ų150.688%0.88380%0.801SS**  cis54.987.530.4-88.4-158.2149.700114.1
880T31.9Very low30.7Very low129 Ų129150.1 Ų150.179%0.79180%0.796SS**  trans-141.4111144.327.90000109
881A28.2Very low30.7Very low111 Ų111148.8 Ų148.892%0.91780%0.803SS**  trans-86.5110.317000000109.4
882T33.1Very low30.6Very low121 Ų121148.3 Ų148.374%0.74280%0.795SS**  trans-117.698.5-179-35.30000110.5
883K27.4Very low30.4Very low190 Ų190149.3 Ų149.383%0.82679%0.793SS**  trans-62.6169.5155.1-78.4176.5175.3171.70109.1
884V28.4Very low30.5Very low150 Ų150146.6 Ų146.691%0.90979%0.794SS**  trans79.8129.7-179.8-168.20000112
885G32Very low30.4Very low65 Ų65145.8 Ų145.867%0.6779%0.788SS**  cis-171.1-179-0.300000114.7F887G885-F887 PolarHBondContact O-N 3.36Å
886K26.8Very low30.4Very low192 Ų192144.9 Ų144.984%0.83579%0.791SS**  trans-73.4119179.3-61.7171.1-179.5173.90111.1
887F29.4Very low30.3Very low195 Ų195146.1 Ų146.186%0.85580%0.797SS**  trans-147.7120.3150.9-89.2-80.9000106.3G885G885-F887 PolarHBondContact O-N 3.36Å
888T28.7Very low30.1Very low114 Ų114151.9 Ų151.970%0.69981%0.805SS**  cis69.659.218.279.70000117
889R29.5Very low29.9Very low235 Ų235150.8 Ų150.889%0.88781%0.807SS**  trans-153.9124.1137.8-105172.3172.6168.3-2.4107.1
890A28Very low29.8Very low89 Ų89146.3 Ų146.374%0.73680%0.797SS**  cis97.387.232.600000114.1
891V32.5Very low29.7Very low146 Ų146145.6 Ų145.689%0.88579%0.793SS**  trans-120.394.3147.3-177.90000104.4
892K32Very low29.9Very low176 Ų176148.1 Ų148.177%0.76579%0.789SS**  73.179.961-160.8-177-176.1-171.80110.3
893E28.3Very low29.8Very low133 Ų133146.1 Ų146.162%0.62179%0.793SS**  89.8102.678.8-85.1-156.8141.700114.5K895E893-K895 HydrophobicContact CB-CD 4.49Å; E893-K895 HydrophobicContact CG-CD 4.46Å; E893-K895 WeakPolarHBondContact OE1-CE 3.32Å; E893-K895 IonicContact OE1-NZ 2.66Å; E893-K895 PolarHBondContact OE1-NZ 3.47Å; E893-K895 IonicContact OE2-NZ 3.74Å; E893-K895 PolarHBondContact OE2-NZ 2.6Å
894S34Very low30Very low125 Ų125140.6 Ų140.687%0.87479%0.789SS**  trans-151.4100.4148.147.60000106.4
895K29.6Very low30.3Very low150 Ų150139.8 Ų139.865%0.65279%0.785SS**  cis79.472.224.6-138.2-179.1-163.9165.80114.2E893E893-K895 HydrophobicContact CB-CD 4.49Å; E893-K895 HydrophobicContact CG-CD 4.46Å; E893-K895 WeakPolarHBondContact OE1-CE 3.32Å; E893-K895 IonicContact OE1-NZ 2.66Å; E893-K895 PolarHBondContact OE1-NZ 3.47Å; E893-K895 IonicContact OE2-NZ 3.74Å; E893-K895 PolarHBondContact OE2-NZ 2.6Å
896L33.4Very low30.2Very low170 Ų170148 Ų14889%0.8980%0.795SS**  trans-132.4155.4143.2-80.1-176.4000108.9
897P32Very low30.6Very low113 Ų113144.2 Ų144.273%0.73479%0.791SS**  -113.2155.4-129.839.2-35.3000116.6
898R24.4Very low30.7Very low249 Ų249144.5 Ų144.594%0.9479%0.792SS**  trans-75.3140.3146.4-83.2-177.8171.6168.8-2.2109
899C29.7Very low30.8Very low124 Ų124149 Ų14984%0.83880%0.802SS**  trans-127.7122.9161.1-149.20000109.1
900S27.5Very low30.8Very low96 Ų96142 Ų14267%0.67179%0.794SS**  trans-77.2164.9154.753.90000107.7
901T29.9Very low30.9Very low114 Ų114142.1 Ų142.170%0.69980%0.795SS**  -179.8169.759.7-42.80000108.7
902I31.6Very low30.7Very low163 Ų163143.6 Ų143.684%0.83679%0.792SS**  trans79.1110.2162.7-47.9177.7000118.1
903G30Very low30.6Very low80 Ų80142.8 Ų142.883%0.82580%0.796SS**  trans87.4145.3133.500000119.3
904G32.1Very low30.6Very low73 Ų73141.1 Ų141.175%0.75380%0.804SS**  trans128.857.8165.100000118.4
905T34.7Very low30.4Very low133 Ų133139.5 Ų139.582%0.81680%0.798SS**  trans18.7118.3148.651.80000121.9
906R29.6Very low30.3Very low237 Ų237141.3 Ų141.389%0.89481%0.809SS**  42.1156.9122.5-83.7-166.7160.2-159.5-1.9122
907P36.9Very low30.2Very low114 Ų114144.4 Ų144.474%0.7481%0.809SS**  cis-143.9-174.7-29.341.1-21.8000115.7
908K30.8Very low30.2Very low201 Ų201144 Ų14487%0.87481%0.809SS**  trans-68.9148.9177.3-51.5167.3179.7178.50115.6
909K30.9Very low30.5Very low208 Ų208136.2 Ų136.290%0.90480%0.798SS**  trans-152.6136.1138-96.7-172.9175.8-176.70107.5
910A29.9Very low30.7Very low89 Ų89137.6 Ų137.674%0.73680%0.796SS**  cis100.8112.312.300000116.4
911A30.2Very low31Very low91 Ų91141.7 Ų141.775%0.75280%0.802SS**  trans57.7121152.100000121.7
912E27.5Very low31.2Very low177 Ų177145 Ų14583%0.82781%0.807SS**  51.9158.1115.7-146.2176.6151.700122.2
913L29.6Very low31.3Very low159 Ų159141.5 Ų141.583%0.83280%0.797SS**  trans76.9149.7176.6-51174.7000114.7
914A28.1Very low31.6Very low97 Ų97144.4 Ų144.480%0.80279%0.794SS**  cis-144.9-178.8-0.300000111.7
915A29.2Very low31.6Very low91 Ų91149.9 Ų149.975%0.75280%0.797SS**  trans-91.8179.4179.100000114.4
916E27.8Very low31.6Very low189 Ų189149.6 Ų149.688%0.88379%0.794SS**  trans66.8114.7163.6-65.7-162.397.100120.8
917R32.3Very low31.5Very low234 Ų234143 Ų14388%0.88379%0.785SS**  -164.3115.2122.1-100.3163-177.6-163.9-1.3107.6
918S31.7Very low31.4Very low106 Ų106142.8 Ų142.874%0.74179%0.792SS**  60.2134.889.978.40000114.7
919A30.3Very low31.4Very low85 Ų85138 Ų13870%0.70279%0.785SS**  cis-175.5156.5-12.600000108.3
920L34.1Very low31.6Very low153 Ų153134.8 Ų134.880%0.80178%0.777SS**  trans170.5139.2138.6-112.360000114.2
921K33.4Very low31.8Very low181 Ų181139.5 Ų139.579%0.78778%0.781SS**  trans26.5135.6134.6-69.5172.9-176.1173.80119.1
922K34.1Very low31.9Very low183 Ų183140.5 Ų140.580%0.79678%0.782SS**  cis-154.8148.726.6-105.3159.1177.4-173.90109.7
923S34.1Very low32.3Very low91 Ų91137.2 Ų137.264%0.63678%0.776SS**  49.7136.8101.294.90000115.4
924D36.1Very low32.5Very low141 Ų141136.8 Ų136.875%0.75477%0.774SS**  cis-135.5155.633.7-64.8-42.9000111.6
925K32.5Very low32.6Very low188 Ų188136.3 Ų136.382%0.81777%0.765SS**  cis90.3112.742.9-159.6-170.9-176.4-174.20114.4
926V33.8Very low32.8Very low126 Ų126141.5 Ų141.576%0.76477%0.771SS**  trans166.5100.6137.2153.20000106.8
927S28.6Very low33Very low100 Ų100139.2 Ų139.270%0.69976%0.764SS**  49.4115.784.367.40000114.4
928A34.5Very low32.9Very low108 Ų108139.3 Ų139.389%0.89376%0.764SS**  -144.7177.68200000114.5
929S30.1Very low33Very low102 Ų102139.6 Ų139.671%0.71376%0.764SS**  trans-149.7143.1-174.362.40000112.9
930N34.6Very low32.9Very low140 Ų140146.7 Ų146.775%0.74977%0.774SS**  trans-161.5117.3145-89.9-36.1000107.4
931K35.5Very low32.7Very low188 Ų188150.5 Ų150.582%0.81778%0.778SS**  77.2108.679.3-74.4-176-172.2168.70113.3
932S31.5Very low32.5Very low111 Ų111148 Ų14878%0.77678%0.778SS**  trans-66.9178.2168.256.50000111.2
933P36.1Very low32.4Very low108 Ų108143.9 Ų143.970%0.70178%0.778SS**  cis-158.4-16934.347.6-25000120.5
934L34.2Very low32.4Very low151 Ų151145.7 Ų145.779%0.79179%0.785SS**  trans77108.2154.4-69.9177.5000121.1
935S30.6Very low32.4Very low86 Ų86147.1 Ų147.160%0.60178%0.784SS**  trans36132.1130.363.30000121.9
936F32.5Very low32.4Very low200 Ų200146.4 Ų146.488%0.87778%0.784SS**  -156.2-167.8106.1-116-77000112
937L32.2Very low32.5Very low142 Ų142145.2 Ų145.274%0.74379%0.788SS**  trans-115.8149.2-157.9-81.6165.8000115.6
938R30.6Very low32.9Very low235 Ų235147.3 Ų147.389%0.88779%0.791SS**  trans73.3154.8151.6-79.4-178.3174.9-177.8-1.4118.9
939P33.2Very low33Very low113 Ų113153.5 Ų153.573%0.73479%0.791SS**  trans-97.4158.8-170.438.7-35.4000113.4
940Y28.6Very low33.2Very low233 Ų233152.7 Ų152.791%0.91480%0.799SS**  trans-145.6148.9167.1-114.2-90.6000113.1
941R29Very low33Very low233 Ų233151.5 Ų151.588%0.87980%0.801SS**  trans-89.7133.8163.4-79.6170.4153.2177.8-8.4109.3
942T30.6Very low33.1Very low129 Ų129149.4 Ų149.479%0.79180%0.804SS**  trans-177.6125.5147.1300000107.4
943A30.9Very low33.1Very low96 Ų96149.3 Ų149.379%0.79380%0.803SS**  83.89553.300000113.7
944V34.3Very low33.3Very low130 Ų130150.5 Ų150.579%0.78881%0.811SS**  trans-158.7137.1-176168.70000105.9
945K35.8Very low33.5Very low170 Ų170147.2 Ų147.274%0.73981%0.813SS**  cis-156.4143.4-7.2-117.3176.6-171.9173.50111.8
946Q32.5Very low33.6Very low173 Ų173153.9 Ų153.981%0.80883%0.825SS**  trans24.2114.4140.6-59.4171.4-66.500122.7
947A37.4Very low33.7Very low102 Ų102156.2 Ų156.284%0.84383%0.828SS**  -164.6123.8126.600000107.6
948N35.2Very low33.8Very low143 Ų143154.9 Ų154.977%0.76583%0.826SS**  cis106.212518.2-164.311.9000113.6
949R36.9Very low34.2Very low239 Ų239148.9 Ų148.990%0.90282%0.82SS**  trans78.5139179.1-53.4178.2174.6174.8-2.5117.2
950G35.2Very low34.5Very low85 Ų85149.1 Ų149.188%0.87683%0.825SS**  trans142.959.816700000117.4
951S31.4Very low34.8Very low115 Ų115141 Ų14180%0.80481%0.812SS**  trans-107.5117.4-178.756.40000114
952V36.4Very low35.4Very low144 Ų144140.7 Ų140.787%0.87381%0.813SS**  trans-146.3143.9162-179.30000111.4
953S31.9Very low35.6Very low109 Ų109141.5 Ų141.576%0.76281%0.812SS**  trans-150.9174.1162.2-60.30000106.7
954P40.8Very low35.8Very low133 Ų133142.1 Ų142.186%0.86481%0.81SS**  cis-125.5-168.6-7.741.3-25.6000112.4
955G36.7Very low35.9Very low81 Ų81139.1 Ų139.184%0.83581%0.806SS**  trans-158.1122.7170.700000113.9
956R32.8Very low36.2Very low227 Ų227137 Ų13786%0.85781%0.809SS**  trans-120.5141.6-175.5-174.4-160.7-124.4-143.86.2110.6
957R35.8Very low36.4Very low249 Ų249138.2 Ų138.294%0.9482%0.815SS**  trans-154.8154.1150.7-109.3166.6-142.8-121.43.5111.8
958T33.9Very low36.2Very low113 Ų113138.3 Ų138.369%0.69381%0.81SS**  trans-116.7162.5-173.648.30000109.9
959S38.9Very low36.3Very low109 Ų109134.9 Ų134.976%0.76281%0.808SS**  -171.1154.998.353.10000115.1
960S39.5Very low36Very low119 Ų119131.6 Ų131.683%0.83281%0.807SS**  trans-15.9157.6153.751.80000118.7
961G35.8Very low35.9Very low63 Ų63131.4 Ų131.465%0.64980%0.804SS**  cis166.9168.620.100000105.9
962Y40.1Very low35.8Very low226 Ų226130.9 Ų130.989%0.88681%0.807SS**  cis-141.7165.231.9-58-101.4000107.7
963D35.4Very low35.7Very low145 Ų145128.7 Ų128.778%0.77580%0.804SS**  cis74127.631.5-156.227.6000113.7
964S35.7Very low35.6Very low109 Ų109128 Ų12876%0.76280%0.804SS**  cis-130.9-172.4-9.2-34.70000108.2
965G35.5Very low35.2Very low68 Ų68130.3 Ų130.370%0.70180%0.802SS**  cis166.9170.612.500000109.5
966P43.1Very low35.1Very low124 Ų124134.3 Ų134.381%0.80580%0.798SS**  trans-108.9157.7-178.738.9-31.5000113.9
967E36.3Very low35Very low200 Ų200127.1 Ų127.194%0.93580%0.795SS**  trans-171.4-170.4140.9-115.5178.1-166.200115.1
968S33.2Very low35Very low104 Ų104127 Ų12773%0.72780%0.795SS**  trans-125.8153.5-154.162.30000117.1
969G36.2Very low34.8Very low70 Ų70126.8 Ų126.872%0.72280%0.798SS**  trans-164.6122.3156.100000108.4
970I30.7Very low34.6Very low171 Ų171132.4 Ų132.488%0.87780%0.804SS**  63.3100.750.1-50.9-179000111.9
971G34.7Very low34.4Very low80 Ų80130.6 Ų130.683%0.82580%0.796SS**  trans-169.8120.8170.400000109.1
972A28.8Very low34.2Very low105 Ų105137.9 Ų137.987%0.86880%0.804SS**  trans-131126.8-165.200000113.9
973A33.9Very low33.9Very low98 Ų98135.4 Ų135.481%0.8180%0.804SS**  trans-158.4122.8154.600000106.6
974A28.8Very low34Very low93 Ų93134.2 Ų134.277%0.76980%0.802SS**  cis78.78033.700000114.8
975F32.5Very low33.8Very low183 Ų183134 Ų13480%0.80380%0.8SS**  trans-155.699.9141.7-129.7-88.3000114.9
976Q34.7Very low33.9Very low164 Ų164135.2 Ų135.277%0.76680%0.796SS**  trans22.2128.5137.9-52.3178.52.800123
977G31.1Very low33.6Very low77 Ų77140.3 Ų140.379%0.79480%0.801SS**  trans94.8145.9136.800000117.9
978R35.4Very low33.5Very low247 Ų247135.4 Ų135.493%0.93280%0.795SS**  cis-141.2162-0.9-78.6-179168.1-177.4-4110.4
979S31Very low33.7Very low108 Ų108140.5 Ų140.576%0.75580%0.804SS**  trans-101.5146177.8-49.20000113.9
980Y34.3Very low33.8Very low227 Ų227143.6 Ų143.689%0.8981%0.808SS**  trans-150.4123139-79.1-76.8000105.5
981A35.9Very low34.2Very low80 Ų80141.7 Ų141.766%0.66180%0.804SS**  cis68.4133.748.300000113
982R31.5Very low34.1Very low217 Ų217145.6 Ų145.682%0.81980%0.801SS**  cis-172.1140.9-11.9176.9-164-62.9154.4-1.6107.7V984R982-V984 HydrophobicContact CG-CG2 4.3Å
983I34.1Very low34.5Very low174 Ų174146.5 Ų146.589%0.89280%0.798SS**  trans-159.7144.9152.9-99.1144.6000108.1
984V36.3Very low34.6Very low120 Ų120150 Ų15073%0.72780%0.795SS**  trans-150163.6-164178.20000110.7R982R982-V984 HydrophobicContact CG-CG2 4.3Å
985S32.7Very low35.1Very low104 Ų104151.7 Ų151.773%0.72780%0.796SS**  trans98.6160.4149.2-124.40000117.4
986P37.7Very low35.1Very low94 Ų94150.5 Ų150.561%0.6180%0.798SS**  cis-127.3155.3-16.220.31.7000114.9
987Y35.1Very low35.3Very low230 Ų230147.8 Ų147.890%0.90280%0.795SS**  157.991.6121.5-98.8-77000113.4
988A34.7Very low35.5Very low98 Ų98155.1 Ų155.181%0.8180%0.799SS**  trans-163.1113.1161.200000110.1
989K36.7Very low35.5Very low211 Ų211148.7 Ų148.792%0.91779%0.791SS**  trans-170.176.3169.2-118.1172.4-174.9-1790114.9
990V38.2Very low35.9Very low134 Ų134148.5 Ų148.581%0.81279%0.79SS**  trans-155.2130.4159.9175.80000106.5
991T39.7Very low36.1Very low131 Ų131143.4 Ų143.480%0.80479%0.787SS**  cis-149.8169.8-24.219.90000107.3
992Q33.7Very low36.2Very low163 Ų163142.8 Ų142.876%0.76279%0.789SS**  trans-105.1171.4169.2-61.2-167-11.500111.7
993P36.9Very low36.7Very low123 Ų123141 Ų14180%0.79980%0.795SS**  -144.8132.688.835.7-18.5000117.5
994K36.4Very low37Very low171 Ų171136 Ų13674%0.74379%0.786SS**  33.8114.3129.2-64-177.5177.6-178.40121.7
995T38.5Very low37.2Very low129 Ų129135 Ų13579%0.79178%0.784SS**  25.7130.7121.359.10000121.9
996N31.8Very low37.5Very low159 Ų159138.3 Ų138.385%0.8579%0.788SS**  trans-52.3155.5161.9-116.4-12000114.3
997P39.7Very low37.4Very low107 Ų107141.5 Ų141.570%0.69580%0.8SS**  -152.5153.5104.238.4-21.3000118.6
998R35.5Very low37.5Very low231 Ų231135.7 Ų135.787%0.87279%0.793SS**  trans63.5124.3146.5-71.5-180177.6-157.2-2122.4
999S35.8Very low37.7Very low111 Ų111136.8 Ų136.878%0.77680%0.795SS**  trans58.9131.2132.4-47.30000119.6
1000S38.7Very low37.7Very low105 Ų105130.7 Ų130.773%0.73478%0.784SS**  cis-178157.944.446.10000114
1001S38.5Very low37.6Very low119 Ų119131.1 Ų131.183%0.83279%0.787SS**  trans57.2131.9148.358.50000123.4
1002G38.9Very low37.4Very low68 Ų68129.6 Ų129.670%0.70178%0.781SS**  trans132.482.4165.200000113.4
1003L41.7Very low37.7Very low180 Ų180126.8 Ų126.894%0.94278%0.779SS**  88.6133.963.3-70.3176.2000114.9
1004G39.2Very low37.7Very low67 Ų67128.7 Ų128.769%0.69178%0.783SS**  trans95.9102.5172.400000114.4
1005S41.9Very low38Very low100 Ų100126.5 Ų126.570%0.69979%0.786SS**  69.198.466.277.60000113
1006E38Very low37.9Very low174 Ų174123.4 Ų123.481%0.81378%0.78SS**  67.6118.291.6-71.1177.9135.100114.7
1007N36.4Very low38.2Very low161 Ų161122.2 Ų122.286%0.86178%0.784SS**  -179.6169.3112-98-66.4000113.5
1008S36.9Very low38.1Very low108 Ų108120.3 Ų120.376%0.75578%0.784SS**  trans-107.6-172.1-166.1-59.10000113.9
1009S39.4Very low38.4Very low121 Ų121115 Ų11585%0.84678%0.778SS**  trans82.6157.2163.484.20000117.6
1010A36Very low38.6Very low82 Ų82116.8 Ų116.868%0.67877%0.773SS**  cis-170.7151.3-30.600000110.8
1011V35.5Very low38.5Very low144 Ų144120.5 Ų120.587%0.87377%0.771SS**  trans49.5129.8145.6176.70000120.3
1012S36.8Very low38.4Very low99 Ų99124.2 Ų124.269%0.69277%0.773SS**  162.1118.5118.8-163.80000116.1
1013S39.6Very low38.2Very low103 Ų103124.6 Ų124.672%0.7278%0.777SS**  trans55.5106.1135.3-42.10000124.7
1014D35.9Very low38Very low163 Ų163120.4 Ų120.487%0.87277%0.768SS**  60.6162.4102.7-90.412.9000124.3
1015P43.8Very low37.8Very low125 Ų125124.2 Ų124.281%0.81277%0.772SS**  trans-134.3177.8-130.946-31.6000119.2
1016G36.1Very low37.6Very low65 Ų65126.9 Ų126.967%0.6777%0.773SS**  trans-175.8131163.400000110.7
1017S37.6Very low37.4Very low133 Ų133128.5 Ų128.593%0.9377%0.771SS**  90.2136.665.777.50000113.7
1018G37.9Very low37.4Very low68 Ų68126.1 Ų126.170%0.70176%0.763SS**  trans146.171.1170.700000122
1019T41.1Very low37.3Very low120 Ų120127.8 Ų127.874%0.73677%0.769SS**  trans44.5129.3135.757.90000125.6
1020H39.7Very low36.9Very low147 Ų147125.9 Ų125.968%0.68177%0.768SS**  trans74.6156.3131.3-70.2-2.6000120.6
1021R37.7Very low36.8Very low184 Ų184126 Ų12669%0.69478%0.777SS**  cis-161147.3-14.7-114.1172.8-166.4-1676112.2
1022K36Very low36.6Very low197 Ų197130.7 Ų130.786%0.85778%0.779SS**  trans36.7135.3144.9-66.6-179.4174.8-174.20122.2
1023G35.4Very low36.5Very low76 Ų76134.2 Ų134.278%0.78479%0.789SS**  trans143.8144.5145.500000116.2
1024A37.2Very low36.1Very low92 Ų92133.8 Ų133.876%0.7679%0.786SS**  -163.7164-88.900000112
1025L35.2Very low36.2Very low147 Ų147134.4 Ų134.477%0.7779%0.788SS**  trans79.4142.9154.1-72.3161.5000122.4
1026H37.7Very low35.7Very low156 Ų156131.7 Ų131.772%0.72278%0.783SS**  trans63.2156.3159.3-63.2-62.6000121.3
1027R33.2Very low35.6Very low208 Ų208136.4 Ų136.479%0.78579%0.792SS**  -175.3144.9-52.2-119-163.2-169.9-166.45.2110.2
1028T36Very low35.4Very low111 Ų111134 Ų13468%0.68178%0.78SS**  trans66.7149.7147.6490000122.4
1029T35Very low35.3Very low143 Ų143139.4 Ų139.488%0.87779%0.788SS**  trans62.3138.6164.345.50000117.9
1030G31.7Very low34.9Very low81 Ų81143.3 Ų143.384%0.83579%0.789SS**  cis140.2107.5-4.700000112
1031G34.2Very low34.8Very low83 Ų83142.2 Ų142.286%0.85679%0.786SS**  trans-161.7155.4-177.800000112.5
1032R30.4Very low34.7Very low244 Ų244140.7 Ų140.792%0.92179%0.791SS**  trans-154.196.8-165.2-178.9-161.7-176.2-152.34.3112.7
1033L35Very low34.7Very low172 Ų172140.7 Ų140.790%0.90179%0.786SS**  trans-143.3140.4164.7-63.3173.5000106.8
1034S32.2Very low34.7Very low94 Ų94143.6 Ų143.666%0.65778%0.783SS**  cis96.712425.2-164.50000113.5
1035L36.6Very low34.7Very low177 Ų177144.5 Ų144.593%0.92779%0.785SS**  trans65.9156.3179-55.8140.6000114.6
1036G34.2Very low34.8Very low67 Ų67142.3 Ų142.369%0.69179%0.788SS**  cis176.1147-10.600000113.3
1037N33Very low34.9Very low164 Ų164138.4 Ų138.488%0.87778%0.782SS**  trans36.5125.2156.1-68.2-0.8000124.2
1038A33.6Very low35.1Very low82 Ų82137.3 Ų137.368%0.67879%0.786SS**  89.4157.8125.800000123.2
1039Q37.2Very low35.2Very low183 Ų183136.7 Ų136.786%0.85579%0.786SS**  trans71.1153.4162-72.3161-95.700118.9
1040R32.1Very low35.5Very low201 Ų201135.6 Ų135.676%0.75878%0.784SS**  cis-170.7155.9-32.6-150.2-171177.4-165.83.4109.2
1041M36.5Very low35.8Very low124 Ų124134.9 Ų134.961%0.61178%0.777SS**  trans56.4119.3161-52.4-52.9-141.800121.5
1042N36.9Very low35.9Very low153 Ų153141.5 Ų141.582%0.81878%0.778SS**  -177.9121.3109.8-118.6-6.2000107.7
1043R35.9Very low36.2Very low196 Ų196136.5 Ų136.574%0.7477%0.765SS**  76115.650.7-88.4-166.1173.3-174.7-2116.7
1044N35.4Very low36.4Very low137 Ų137130.3 Ų130.373%0.73374%0.736SS**  trans70.2122.7151.7-52.13.1000117.2
1045S37.3Very low36.8Very low112 Ų112131 Ų13178%0.78374%0.736SS**  -173.2151.670.4-64.10000114.4
1046A37.2Very low36.9Very low101 Ų101125.2 Ų125.284%0.83572%0.72SS**  trans46.4148.2137.100000123.1
1047A38.6Very low37.2Very low74 Ų74127.7 Ų127.761%0.61272%0.721SS**  cis-172177.9-14.400000111.3
1048H39.2Very low37.3Very low185 Ų185128.4 Ų128.486%0.85672%0.716SS**  trans74.7146.3167.9-53.3-74.5000117.3
1049S38.1Very low37.5Very low98 Ų98129.2 Ų129.269%0.68571%0.709SS**  cis-150.8146.13.451.90000113.7
1050S39.7Very low37.5Very low119 Ų119127.3 Ų127.383%0.83270%0.701SS**  trans46.6140.314760.90000122.1
1051G39.1Very low37.7Very low67 Ų67124.8 Ų124.869%0.69170%0.697SS**  cis133.6103.7-5.300000115.1
1052Y35.8Very low37.7Very low222 Ų222124.2 Ų124.287%0.87170%0.697SS**  trans-168.4141.514058.8-93.8000106.8
1053E37.2Very low37.7Very low138 Ų138124.9 Ų124.965%0.64570%0.695SS**  cis176.7-177.99.1-51-161.7-9500107.9S402S402-E1053 VanDerWaalsContact OG-C 3.3Å; S402-E1053 VanDerWaalsContact OG-CA 3.28Å; S402-E1053 WeakPolarHBondContact OG-CA 3.35Å
1054S39Very low37.7Very low42 Ų42119.3 Ų119.329%0.29469%0.69SS.*  trans-124154.4-136.4-1250000118.6I401 S402 C403I401-S1054 WeakPolarHBondContact CG2-O 3.3Å; S402-S1054 VanDerWaalsContact CB-N 3.27Å; S402-S1054 PolarHBondContact OG-N 3.05Å; C403-S1054 PolarHBondContact SG-O 3.21Å; C403-S1054 VanDerWaalsContact SG-O 3.42Å
1055T40.5Very low37.8Very low109 Ų109122.4 Ų122.467%0.66970%0.697SS**  trans63.2144.1156.263.50000120I401I401-T1055 WeakPolarHBondContact CG2-O 3.23Å
1056G39.4Very low37.9Very low56 Ų56121.9 Ų121.958%0.57769%0.691SS**  cis164.9-174.95.800000109.5
1057T38.8Very low37.9Very low119 Ų119122.3 Ų122.373%0.7369%0.688SS**  cis-166.5146.6-15.546.70000109.5
1058K36.4Very low37.7Very low178 Ų178125.7 Ų125.777%0.77470%0.701SS**  trans65.7155.6153.3-73.1169.1153.1-91.30118.6
1059D36.4Very low37.5Very low99 Ų99123.4 Ų123.453%0.52969%0.694SS.*  cis-157.5156.3-4.3-116.1-33.1000111.7
1060Q37.2Very low37.2Very low143 Ų143125.6 Ų125.667%0.66870%0.703SS**  trans63139.5143.6-71.5168.95300125.7
1061H37.6Very low36.6Very low148 Ų148125 Ų12569%0.68570%0.698SS**  trans49.8148.2144.5-66.1-67000121.4
1062D35.3Very low36.3Very low113 Ų113126.9 Ų126.960%0.60470%0.701SS**  cis-159.4176.9-6.2-119.1-7.1000113.5
1063H37.5Very low36.1Very low167 Ų167125.5 Ų125.577%0.77370%0.702SS**  trans6.4151.9156-61.3-51.6000123.6
1064A37Very low35.8Very low78 Ų78124.4 Ų124.465%0.64571%0.71SS**  cis-177.4151.6-17.400000113.4
1065K36.6Very low36.2Very low202 Ų202128.3 Ų128.388%0.87873%0.734SS**  trans66.3172.5143.9-93.4179.9179.8-179.80119.9
1066P40.5Very low35.9Very low101 Ų101128.4 Ų128.466%0.65674%0.737SS**  cis-135.2175.1-14.631.7-11.6000116.7
1067S37.1Very low35.4Very low111 Ų111134.5 Ų134.578%0.77675%0.75SS**  trans66.8151.814943.50000118.8
1068T34.2Very low35.1Very low144 Ų144135.2 Ų135.288%0.88376%0.755SS**  cis-103.3159.822.9-18.90000116.1
1069L33.6Very low34.8Very low137 Ų137135.4 Ų135.472%0.71776%0.758SS**  trans-129.2144.7179.2-111.1166.1000109.6C1071L1069-C1071 HydrophobicContact CD2-CB 4.02Å; L1069-C1071 VanDerWaalsContact CD2-SG 3.56Å
1070V32.5Very low34.7Very low144 Ų144137.4 Ų137.487%0.87377%0.774SS**  trans-134.7109.4152179.70000106.9
1071C26.7Very low34.5Very low108 Ų108137.6 Ų137.673%0.7378%0.779SS**  trans-148.3121.4175.4-77.80000108.9L1069L1069-C1071 HydrophobicContact CD2-CB 4.02Å; L1069-C1071 VanDerWaalsContact CD2-SG 3.56Å
1072S32.5Very low34.1Very low106 Ų106135.8 Ų135.874%0.74178%0.783SS**  trans-169.4140.9165.448.10000108.7
1073E32Very low33.9Very low192 Ų192135.9 Ų135.990%0.89779%0.789SS**  cis-151.2149.5-13.5-104.8169.8137.900106.6
1074S31.3Very low33.4Very low116 Ų116133.8 Ų133.881%0.81179%0.789SS**  trans-131.4123.1177.547.90000111.8
1075P47.4Very low33.2Very low123 Ų123139.2 Ų139.280%0.79980%0.8SS**  trans-82.2152.9176.233.4-34.3000111.9
1076P34.8Very low32.8Very low112 Ų112140.4 Ų140.473%0.72780%0.799SS**  trans-89.2156.8-176.835.3-36000114.7
1077E28.4Very low32.3Very low183 Ų183140.7 Ų140.786%0.85580%0.804SS**  trans36.3117.3147-59.9-175.715600121
1078T32.3Very low32Very low135 Ų135141.3 Ų141.383%0.82881%0.805SS**  trans-149.6130.8133.2-50.60000109.4
1079E30Very low31.8Very low181 Ų181144.1 Ų144.185%0.84681%0.805SS**  trans-73.7134.4173.2-66.4-167.4128.900111.6
1080V34.7Very low31.7Very low141 Ų141149.2 Ų149.286%0.85582%0.815SS**  trans-135.5129.6161-177.40000109.2
1081L33.1Very low31.6Very low148 Ų148147.7 Ų147.778%0.77581%0.809SS**  trans-89.8137.5-171.7-80.6151.1000113.4
1082S28.5Very low31.6Very low110 Ų110150.9 Ų150.977%0.76981%0.806SS**  trans72.4166.7149.686.70000117.2
1083P30.3Very low31.5Very low114 Ų114152.7 Ų152.774%0.7481%0.807SS**  cis-120152.81.239.6-26.9000115.9Q1085P1083-Q1085 PolarHBondContact O-N 3.25Å
1084T28.4Very low31.5Very low124 Ų124151 Ų15176%0.76180%0.803SS**  trans-70114.3174.4-46.20000111.8R1086T1084-R1086 HydrophobicContact CG2-CG 4.25Å; T1084-R1086 PolarHBondContact O-N 2.72Å
1085Q32.2Very low31.4Very low191 Ų191150.1 Ų150.189%0.89380%0.797SS**  trans-76.3100.7162.5-80.4-129.1-5.600110.7P1083P1083-Q1085 PolarHBondContact O-N 3.25Å
1086R29Very low30.7Very low227 Ų227154 Ų15486%0.85780%0.801SS**  trans-94.1106.2158.8-78.3179.7171.6173.9-1.3108.8T1084T1084-R1086 HydrophobicContact CG2-CG 4.25Å; T1084-R1086 PolarHBondContact O-N 2.72Å
1087S29.2Very low30.6Very low108 Ų108157.1 Ų157.176%0.75581%0.809SS**PPolyproline II helixtrans-76.8147.2158.853.80000110.1
1088P31.2Very low30.7Very low123 Ų123152.2 Ų152.280%0.79981%0.807SS**PPolyproline II helixtrans-89.1144.1-159.6-11.230.4000114.4
1089K28.9Very low30.8Very low203 Ų203156.1 Ų156.188%0.88381%0.812SS**PPolyproline II helixtrans-63.7138.2160.1-54.6174.6-177.3179.60109.7
1090R32.5Very low31Very low245 Ų245151.1 Ų151.193%0.92581%0.81SS**  trans-163.3110.5147.9-113161-168.1-96.7-0.9113.1
1091C29.4Very low31Very low111 Ų111149.9 Ų149.975%0.7581%0.808SS**  trans-140.6128.7149.3-103.80000106
1092W27.6Very low31Very low176 Ų176154 Ų15467%0.66781%0.813SS**  trans37.8123.6156.2-55.385.9000117.9T228T228-W1092 HydrophobicContact CG2-CH2 4.26Å
1093L30.2Very low31.3Very low143 Ų143154.5 Ų154.575%0.74982%0.816SS**  -171.5173.152.9-122.3142000112.2
1094L32.5Very low31.6Very low157 Ų157153.1 Ų153.182%0.82282%0.815SS**  trans77.7125160.1-68.1168000121.1
1095S29.5Very low32.2Very low97 Ų97153 Ų15368%0.67882%0.816SS**  trans-51.8152.2169.3-40.10000115.7
1096F31.2Very low32.3Very low204 Ų204153.1 Ų153.190%0.89582%0.816SS**  -164.916391.7-113.8-84.3000112.4
1097M32.7Very low32.7Very low179 Ų179147.8 Ų147.888%0.88281%0.814SS**  trans-86.2142-174.8-61.71647000112.5
1098G31.9Very low33.5Very low80 Ų80148.9 Ų148.983%0.82582%0.818SS**  trans-158.8110.2170.100000112.3
1099K34.7Very low34Very low216 Ų216146.5 Ų146.594%0.93982%0.816SS**  trans-85.5135.9175.3-65.6178.5179.6177.80110.1
1100G32.6Very low34.4Very low77 Ų77142.7 Ų142.779%0.79482%0.815SS**  trans-166.2114.3172.100000112
1101S34.5Very low35Very low115 Ų115136.6 Ų136.680%0.80481%0.807SS**  trans-113.4137.7-178.3-48.80000111
1102R34.4Very low35.8Very low234 Ų234136.7 Ų136.788%0.88381%0.807SS**  161152.4127.1-89.2166.4-178.2-96.7-0.9114
1103S34.6Very low36.1Very low120 Ų120133.7 Ų133.784%0.83981%0.812SS**  trans61.1132.7147.754.20000121.4
1104A36.8Very low36.4Very low86 Ų86133 Ų13371%0.71181%0.814SS**  trans-127.6155161.300000110.1
1105P40.3Very low36.5Very low120 Ų120132 Ų13278%0.77981%0.813SS**  trans-87134159.434.1-28.9000109.5
1106Q35.1Very low36.8Very low195 Ų195131.9 Ų131.991%0.91182%0.819SS**  79.2142.553.6-68.4-1642.300115.1
1107S37.9Very low37Very low114 Ų114125.6 Ų125.680%0.79781%0.811SS**  trans-137.4172.7-165.557.30000112.4
1108P45.4Very low37.1Very low132 Ų132121.8 Ų121.886%0.85781%0.808SS**  trans-134.2165.4145.236.8-24000112.3
1109G42.1Very low37Very low73 Ų73124.1 Ų124.175%0.75381%0.807SS**  cis-173.8170.7-2.300000112.3
1110S35.7Very low37Very low122 Ų122120.3 Ų120.385%0.85380%0.802SS**  trans-101.6-155.9-179.2-35.40000111.2
1111P45.4Very low37.1Very low117 Ų117121 Ų12176%0.7680%0.8SS**  cis-132.6-140.58.244.8-23.8000111.8
1112P45.7Very low37.3Very low114 Ų114121.1 Ų121.174%0.7480%0.798SS**  cis-112.5169.2-35.933.2-15.5000112.3
1113S34.3Very low37.2Very low112 Ų112114.7 Ų114.778%0.78379%0.788SS**  cis89.4126.430.6-165.30000116.6
1114V36.4Very low37.1Very low129 Ų129114.8 Ų114.878%0.78279%0.788SS**  trans170.6118.8144.5149.10000114.1
1115V36Very low37.2Very low135 Ų135116.4 Ų116.482%0.81879%0.794SS**  trans44.5149.7134.5-1720000122.3
1116A35.6Very low36.7Very low95 Ų95115.9 Ų115.979%0.78579%0.793SS**  cis-176.7175.3-32.300000110.9
1117G34Very low36.9Very low72 Ų72111.8 Ų111.874%0.74278%0.783SS**  trans109.9122.7174.100000113.6
1118A35.2Very low36.6Very low99 Ų99115.2 Ų115.282%0.81879%0.787SS**  cis75.6134.618.200000113.8
1119T30.4Very low36Very low130 Ų130115.5 Ų115.580%0.79878%0.777SS**  cis-157.6157.912.5-52.50000111.2
1120V35.2Very low35.6Very low136 Ų136121.1 Ų121.182%0.82478%0.775SS**  trans159.9140.7137.4159.80000113.1
1121A34.2Very low35.4Very low92 Ų92121.1 Ų121.176%0.7677%0.77SS**  trans-148152.9167.200000110.4
1122P38.6Very low34.9Very low117 Ų117123 Ų12376%0.7677%0.773SS**  trans-149.5-173.413135-16.7000112.9
1123S32.7Very low34.4Very low98 Ų98124.4 Ų124.469%0.68578%0.78SS**  -174.2154.3-53.463.30000109.4
1124C32.9Very low34.3Very low122 Ų122123.2 Ų123.282%0.82479%0.785SS**  trans68.3156.6169.8-59.50000116.1
1125S37.7Very low34.4Very low120 Ų120127.2 Ų127.284%0.83979%0.787SS**  cis-153.1167.7-7.529.80000111.8
1126S30.5Very low34.3Very low109 Ų109132.4 Ų132.476%0.76279%0.791SS**  trans-93.8-169.2-176.153.50000113.7
1127P39Very low34.4Very low109 Ų109134 Ų13471%0.70880%0.795SS**  cis-135.7159.2-5033.2-17.1000114.2
1128Q32.1Very low34.7Very low186 Ų186133.3 Ų133.387%0.86978%0.779SS**  trans-179.1162.8132.3-108.3176.5-14.800114.7
1129E32.6Very low34.8Very low139 Ų139133 Ų13365%0.6576%0.764SS**  trans69.3134.9159.9-68.8-13492.700123
1130R34.3Very low35.2Very low191 Ų191135.4 Ų135.472%0.72176%0.764SS**  trans72.494.8143.6-69.8172.4-157.8-172.515.9122.3
1131T31.3Very low35.5Very low122 Ų122132 Ų13275%0.74875%0.749SS**  70.8139.112743.70000122.6
1132L34Very low35.6Very low156 Ų156135.5 Ų135.582%0.81774%0.743SS**  trans63.3110.4153-65.3163.8000118.7
1133T35.4Very low35.7Very low143 Ų143135.1 Ų135.188%0.87773%0.731SS**  -17550.2129.424.60000113.2R1135T1133-R1135 PolarHBondContact O-N 2.72Å
1134G33.4Very low36.3Very low88 Ų88133.8 Ų133.891%0.90772%0.722SS**  trans-72.254.5171.300000114.2
1135R36.6Very low37.3Very low213 Ų213131.6 Ų131.680%0.80470%0.704SS**  trans-14478.4-177.6-75.2-169.4175.6-169.6-0.1112.3T1133T1133-R1135 PolarHBondContact O-N 2.72Å
1136R35Very low38.6Very low243 Ų243129.4 Ų129.492%0.91768%0.684SS**SBendtrans-139-2.6168-105-177.2-174.9-172.61.6117.1
1137C37.7Very low40.3Very low129 Ų129128.2 Ų128.287%0.87268%0.675SS**SBendtrans-111.11.3177.8-56.90000114.1
1138S40.5Very low41.7Very low58 Ų58130 Ų13041%0.40667%0.672SS.*SBendtrans-89.3-19.1-176.747.40000114.8
1139N37.2Very low43.7Very low92 Ų92125.3 Ų125.349%0.49266%0.656SS.*Hα-helixtrans-84.5-44.1-164.2-63.818.8000112.1A1141 R1142 E1143N1139-A1141 PolarHBondContact O-N 2.74Å; N1139-A1141 VanDerWaalsContact O-N 3.11Å; N1139-R1142 WeakPolarHBondContact O-CA 3.32Å; N1139-R1142 WeakPolarHBondContact O-CB 3.49Å; N1139-R1142 PolarHBondContact O-N 2.84Å; N1139-E1143 PolarHBondContact O-N 2.73Å
1140F39.5Very low45.5Very low181 Ų181124.8 Ų124.879%0.79465%0.654SS**Hα-helixtrans-55.6-30174.8-105-88.3000113.7E1143 S1144F1140-E1143 PolarHBondContact N-OE2 3.3Å; F1140-S1144 PolarHBondContact O-N 3.15Å
1141A40.5Very low47.4Very low63 Ų63118.5 Ų118.552%0.52164%0.644SS.*Hα-helixtrans-71.8-36.1174.900000112.2N1139 T1145N1139-A1141 PolarHBondContact O-N 2.74Å; N1139-A1141 VanDerWaalsContact O-N 3.11Å; A1141-T1145 PolarHBondContact O-N 3.19Å
1142R37Very low49.5Very low167 Ų167120 Ų12063%0.6364%0.64SS**Hα-helixtrans-74.1-44.9176.2-71.6-177.160.7137.50112.1N1139 S1144 T1145 D1146N1139-R1142 WeakPolarHBondContact O-CA 3.32Å; N1139-R1142 WeakPolarHBondContact O-CB 3.49Å; N1139-R1142 PolarHBondContact O-N 2.84Å; R1142-S1144 PolarHBondContact O-N 2.9Å; R1142-T1145 WeakPolarHBondContact CA-OG1 3.19Å; R1142-T1145 PolarHBondContact O-N 2.83Å; R1142-T1145 PolarHBondContact O-OG1 3Å; R1142-D1146 WeakPolarHBondContact O-CB 3.12Å; R1142-D1146 PolarHBondContact O-N 3.49Å
1143E39.1Very low51.5Low109 Ų109116.6 Ų116.651%0.50963%0.625SS.*Hα-helixtrans-56.7-30.6176.3-68.8166.8110.500112.2N1139 F1140 S1147N1139-E1143 PolarHBondContact O-N 2.73Å; F1140-E1143 PolarHBondContact N-OE2 3.3Å; E1143-S1147 WeakPolarHBondContact O-CB 3.42Å; E1143-S1147 PolarHBondContact O-N 2.93Å; E1143-S1147 PolarHBondContact O-OG 3.13Å
1144S46.2Very low53.4Low70 Ų70113.6 Ų113.649%0.4960%0.601SS.*Hα-helixtrans-76.1-30.5174-170.20000114.4F1140 R1142F1140-S1144 PolarHBondContact O-N 3.15Å; R1142-S1144 PolarHBondContact O-N 2.9Å
1145T53.4Low55.5Low75 Ų75115 Ų11546%0.4658%0.584SS.*Hα-helixtrans-77.7-43.3171.350.40000111.7A1141 R1142 S1147 K1148 V1149A1141-T1145 PolarHBondContact O-N 3.19Å; R1142-T1145 WeakPolarHBondContact CA-OG1 3.19Å; R1142-T1145 PolarHBondContact O-N 2.83Å; R1142-T1145 PolarHBondContact O-OG1 3Å; T1145-S1147 VanDerWaalsContact C-N 3.28Å; T1145-S1147 PolarHBondContact O-N 3.43Å; T1145-K1148 WeakPolarHBondContact O-CA 3.4Å; T1145-K1148 WeakPolarHBondContact O-CB 3.47Å; T1145-K1148 PolarHBondContact O-N 3.39Å; T1145-V1149 PolarHBondContact O-N 2.93Å
1146D66.3Low57.2Low75 Ų75107.2 Ų107.240%0.40157%0.565SS.*Hα-helixtrans-62.9-39.1-176.1-56.9-10.6000109.8R1142 K1148 V1149 M1150R1142-D1146 WeakPolarHBondContact O-CB 3.12Å; R1142-D1146 PolarHBondContact O-N 3.49Å; D1146-K1148 VanDerWaalsContact C-N 3.27Å; D1146-K1148 PolarHBondContact O-N 3.34Å; D1146-V1149 PolarHBondContact O-N 2.82Å; D1146-M1150 WeakPolarHBondContact O-CG 3.48Å; D1146-M1150 PolarHBondContact O-N 2.68Å
1147S65.9Low59.2Low83 Ų83103.6 Ų103.658%0.5855%0.552SS**Hα-helixtrans-59.6-31.4171.8-61.80000114.1E1143 T1145 A1151E1143-S1147 WeakPolarHBondContact O-CB 3.42Å; E1143-S1147 PolarHBondContact O-N 2.93Å; E1143-S1147 PolarHBondContact O-OG 3.13Å; T1145-S1147 VanDerWaalsContact C-N 3.28Å; T1145-S1147 PolarHBondContact O-N 3.43Å; S1147-A1151 WeakPolarHBondContact O-CB 3.35Å; S1147-A1151 PolarHBondContact O-N 2.97Å
1148K68.2Low61.3Low148 Ų148104.5 Ų104.564%0.64354%0.537SS*.Hα-helixtrans-81.1-35.3177.6-68.8178.6180-177.30112.3T1145 D1146 A1151 K1152T1145-K1148 WeakPolarHBondContact O-CA 3.4Å; T1145-K1148 WeakPolarHBondContact O-CB 3.47Å; T1145-K1148 PolarHBondContact O-N 3.39Å; D1146-K1148 VanDerWaalsContact C-N 3.27Å; D1146-K1148 PolarHBondContact O-N 3.34Å; K1148-A1151 PolarHBondContact O-N 3.43Å; K1148-K1152 PolarHBondContact O-N 3.37Å; K1148-K1152 VanDerWaalsContact O-N 3.16Å
1149V73.4Confident63.2Low87 Ų87106.9 Ų106.953%0.52754%0.541SS..Hα-helixtrans-64.9-49.1173.4176.80000109.7T1145 D1146 A1151 K1152 V1153T1145-V1149 PolarHBondContact O-N 2.93Å; D1146-V1149 PolarHBondContact O-N 2.82Å; V1149-A1151 VanDerWaalsContact C-N 3.26Å; V1149-A1151 PolarHBondContact O-N 3.44Å; V1149-K1152 WeakPolarHBondContact O-CB 3.5Å; V1149-K1152 PolarHBondContact O-N 3.31Å; V1149-K1152 VanDerWaalsContact O-N 3.07Å; V1149-V1153 HydrophobicContact CG1-CG2 4.42Å; V1149-V1153 WeakPolarHBondContact O-CG2 3.43Å; V1149-V1153 PolarHBondContact O-N 2.92Å
1150M70.7Confident65.1Low127 Ų127105.2 Ų105.263%0.62653%0.531SS*.Hα-helixtrans-60.9-33.9177-66.8-57.9-64.400112.8D1146 E1154D1146-M1150 WeakPolarHBondContact O-CG 3.48Å; D1146-M1150 PolarHBondContact O-N 2.68Å; M1150-E1154 WeakPolarHBondContact O-CB 3.32Å; M1150-E1154 PolarHBondContact O-N 3.25Å; M1150-E1154 VanDerWaalsContact O-N 3.11Å
1151A74.9Confident67Low60 Ų60101 Ų10150%0.49651%0.514SS..Hα-helixtrans-64.4-42.2173.500000112.6S1147 K1148 V1149 E1155S1147-A1151 WeakPolarHBondContact O-CB 3.35Å; S1147-A1151 PolarHBondContact O-N 2.97Å; K1148-A1151 PolarHBondContact O-N 3.43Å; V1149-A1151 VanDerWaalsContact C-N 3.26Å; V1149-A1151 PolarHBondContact O-N 3.44Å; A1151-E1155 WeakPolarHBondContact O-CB 3.31Å; A1151-E1155 PolarHBondContact O-N 2.96Å
1152K75Confident68.9Low153 Ų153102.7 Ų102.767%0.66551%0.512SS*.Hα-helixtrans-65.6-43.3174.3-84.9-167.8163.9-159.20113K1148 V1149 E1154 E1155 A1156K1148-K1152 PolarHBondContact O-N 3.37Å; K1148-K1152 VanDerWaalsContact O-N 3.16Å; V1149-K1152 WeakPolarHBondContact O-CB 3.5Å; V1149-K1152 PolarHBondContact O-N 3.31Å; V1149-K1152 VanDerWaalsContact O-N 3.07Å; K1152-E1154 VanDerWaalsContact C-N 3.28Å; K1152-E1154 PolarHBondContact O-N 2.87Å; K1152-E1155 WeakPolarHBondContact O-CB 3.35Å; K1152-E1155 PolarHBondContact O-N 3.28Å; K1152-A1156 PolarHBondContact O-N 3.16Å
1153V75Confident71Confident84 Ų8499.7 Ų99.751%0.50951%0.508SS..Hα-helixtrans-60.2-41.2178172.10000110.9V1149 E1155 R1157V1149-V1153 HydrophobicContact CG1-CG2 4.42Å; V1149-V1153 WeakPolarHBondContact O-CG2 3.43Å; V1149-V1153 PolarHBondContact O-N 2.92Å; V1153-E1155 VanDerWaalsContact C-N 3.31Å; V1153-R1157 WeakPolarHBondContact O-CB 3.29Å; V1153-R1157 PolarHBondContact O-N 3.35Å
1154E74.8Confident72.8Confident80 Ų8097.1 Ų97.137%0.37450%0.495SS..Hα-helixtrans-78.7-11.4177178.758.2-161.300113.4M1150 K1152 R1158M1150-E1154 WeakPolarHBondContact O-CB 3.32Å; M1150-E1154 PolarHBondContact O-N 3.25Å; M1150-E1154 VanDerWaalsContact O-N 3.11Å; K1152-E1154 VanDerWaalsContact C-N 3.28Å; K1152-E1154 PolarHBondContact O-N 2.87Å; E1154-R1158 WeakPolarHBondContact O-CG 3.39Å; E1154-R1158 PolarHBondContact O-NH1 3.29Å; E1154-R1158 VanDerWaalsContact O-NH1 3.11Å; E1154-R1158 IonicContact OE1-CZ 3.66Å; E1154-R1158 VanDerWaalsContact OE1-CZ 3.26Å; E1154-R1158 IonicContact OE1-NE 2.7Å; E1154-R1158 PolarHBondContact OE1-NE 3.41Å; E1154-R1158 IonicContact OE1-NH2 3.3Å; E1154-R1158 PolarHBondContact OE1-NH2 2.97Å
1155E77.6Confident74.5Confident117 Ų11798 Ų9855%0.54749%0.493SS..Hα-helixtrans-80.8-55.5168-174165.1-137.200110A1151 K1152 V1153 R1157 R1158 E1159A1151-E1155 WeakPolarHBondContact O-CB 3.31Å; A1151-E1155 PolarHBondContact O-N 2.96Å; K1152-E1155 WeakPolarHBondContact O-CB 3.35Å; K1152-E1155 PolarHBondContact O-N 3.28Å; V1153-E1155 VanDerWaalsContact C-N 3.31Å; E1155-R1157 VanDerWaalsContact C-N 3.25Å; E1155-R1157 PolarHBondContact O-N 3.17Å; E1155-R1158 WeakPolarHBondContact O-CB 3.46Å; E1155-R1158 PolarHBondContact O-N 3.24Å; E1155-E1159 PolarHBondContact O-N 3.49Å
1156A72.8Confident75.7Confident50 Ų5099.3 Ų99.341%0.41350%0.495SS..Hα-helixtrans-55.5-38.1175.100000112.5K1152 R1158 E1159 Q1160K1152-A1156 PolarHBondContact O-N 3.16Å; A1156-R1158 VanDerWaalsContact C-N 3.25Å; A1156-R1158 PolarHBondContact O-N 2.81Å; A1156-E1159 PolarHBondContact O-N 2.82Å; A1156-Q1160 WeakPolarHBondContact O-CB 3.49Å; A1156-Q1160 PolarHBondContact O-N 2.76Å
1157R77.4Confident76.4Confident167 Ų16798.5 Ų98.563%0.6349%0.49SS*.Hα-helixtrans-59.9-32.2174.8-168.9176-166.9157.911.3113.3V1153 E1155 E1161V1153-R1157 WeakPolarHBondContact O-CB 3.29Å; V1153-R1157 PolarHBondContact O-N 3.35Å; E1155-R1157 VanDerWaalsContact C-N 3.25Å; E1155-R1157 PolarHBondContact O-N 3.17Å; R1157-E1161 PolarHBondContact O-N 3.36Å
1158R80.9Confident77Confident149 Ų149101.5 Ų101.556%0.56249%0.488SS*.Hα-helixtrans-78.6-36.8176.8-67.5-179.7-167.6113.53.7111.9E1154 E1155 A1156 Q1160 E1161 M1162E1154-R1158 WeakPolarHBondContact O-CG 3.39Å; E1154-R1158 PolarHBondContact O-NH1 3.29Å; E1154-R1158 VanDerWaalsContact O-NH1 3.11Å; E1154-R1158 IonicContact OE1-CZ 3.66Å; E1154-R1158 VanDerWaalsContact OE1-CZ 3.26Å; E1154-R1158 IonicContact OE1-NE 2.7Å; E1154-R1158 PolarHBondContact OE1-NE 3.41Å; E1154-R1158 IonicContact OE1-NH2 3.3Å; E1154-R1158 PolarHBondContact OE1-NH2 2.97Å; E1155-R1158 WeakPolarHBondContact O-CB 3.46Å; E1155-R1158 PolarHBondContact O-N 3.24Å; A1156-R1158 VanDerWaalsContact C-N 3.25Å; A1156-R1158 PolarHBondContact O-N 2.81Å; R1158-Q1160 VanDerWaalsContact C-N 3.33Å; R1158-E1161 PolarHBondContact O-N 3.11Å; R1158-M1162 WeakPolarHBondContact O-CB 3.24Å; R1158-M1162 PolarHBondContact O-N 2.93Å
1159E81.4Confident77.6Confident107 Ų10799 Ų9950%0.548%0.477SS..Hα-helixtrans-63.5-41.7172.8-63.3-175.1133.700110.4E1155 A1156 E1161 M1162 L1163E1155-E1159 PolarHBondContact O-N 3.49Å; A1156-E1159 PolarHBondContact O-N 2.82Å; E1159-E1161 PolarHBondContact O-N 2.69Å; E1159-M1162 WeakPolarHBondContact O-CB 3.09Å; E1159-M1162 PolarHBondContact O-N 3.02Å; E1159-L1163 WeakPolarHBondContact O-CG 3.46Å; E1159-L1163 PolarHBondContact O-N 3.37Å
1160Q75.9Confident77.8Confident57 Ų5796.5 Ų96.527%0.26647%0.466SS..Hα-helixtrans-60.6-43.6174.8-154.4-156.649.300113A1156 R1158 K1164A1156-Q1160 WeakPolarHBondContact O-CB 3.49Å; A1156-Q1160 PolarHBondContact O-N 2.76Å; R1158-Q1160 VanDerWaalsContact C-N 3.33Å; Q1160-K1164 VanDerWaalsContact O-CG 3.27Å; Q1160-K1164 WeakPolarHBondContact O-CG 3.46Å; Q1160-K1164 PolarHBondContact O-N 2.76Å
1161E80.2Confident78.4Confident93 Ų9393 Ų9344%0.43545%0.447SS..Hα-helixtrans-70.3-32.4175.1-75.7-58.413200113R1157 R1158 E1159 K1164 L1165R1157-E1161 PolarHBondContact O-N 3.36Å; R1158-E1161 PolarHBondContact O-N 3.11Å; E1159-E1161 PolarHBondContact O-N 2.69Å; E1161-K1164 PolarHBondContact O-N 3.03Å; E1161-K1164 WeakPolarHBondContact OE1-CD 3.23Å; E1161-K1164 IonicContact OE1-NZ 2.7Å; E1161-K1164 PolarHBondContact OE1-NZ 2.84Å; E1161-L1165 PolarHBondContact O-N 3.15Å; E1161-L1165 VanDerWaalsContact O-N 3.08Å
1162M81.1Confident78.5Confident99 Ų9995.9 Ų95.949%0.48846%0.455SS..Hα-helixtrans-65.3-46.3174.5-173.2-107.3-6800111.1R1158 E1159 K1164 L1165 E1166R1158-M1162 WeakPolarHBondContact O-CB 3.24Å; R1158-M1162 PolarHBondContact O-N 2.93Å; E1159-M1162 WeakPolarHBondContact O-CB 3.09Å; E1159-M1162 PolarHBondContact O-N 3.02Å; M1162-K1164 PolarHBondContact O-N 3.16Å; M1162-L1165 WeakPolarHBondContact O-CB 3.36Å; M1162-L1165 PolarHBondContact O-N 3.07Å; M1162-L1165 VanDerWaalsContact O-N 3.09Å; M1162-E1166 VanDerWaalsContact O-CG 3.29Å; M1162-E1166 WeakPolarHBondContact O-CG 3.32Å; M1162-E1166 PolarHBondContact O-N 3.37Å; M1162-E1166 HydrophobicContact SD-CG 4.19Å
1163L80.7Confident78.7Confident103 Ų10396.3 Ų96.354%0.53945%0.452SS..Hα-helixtrans-62-41.4174.5-69.6170.7000112.2E1159 L1165 E1166 L1167E1159-L1163 WeakPolarHBondContact O-CG 3.46Å; E1159-L1163 PolarHBondContact O-N 3.37Å; L1163-L1165 PolarHBondContact O-N 3.07Å; L1163-E1166 PolarHBondContact O-N 2.8Å; L1163-L1167 VanDerWaalsContact O-CB 3.31Å; L1163-L1167 WeakPolarHBondContact O-CB 3.41Å; L1163-L1167 PolarHBondContact O-N 2.94Å
1164K77.9Confident79Confident56 Ų5697 Ų9724%0.24345%0.452CS..Hα-helixtrans-59.6-34.2172.6-72.1169.7-158.8170.60112.5Q1160 E1161 M1162 R1168Q1160-K1164 VanDerWaalsContact O-CG 3.27Å; Q1160-K1164 WeakPolarHBondContact O-CG 3.46Å; Q1160-K1164 PolarHBondContact O-N 2.76Å; E1161-K1164 PolarHBondContact O-N 3.03Å; E1161-K1164 WeakPolarHBondContact OE1-CD 3.23Å; E1161-K1164 IonicContact OE1-NZ 2.7Å; E1161-K1164 PolarHBondContact OE1-NZ 2.84Å; M1162-K1164 PolarHBondContact O-N 3.16Å; K1164-R1168 WeakPolarHBondContact O-CG 3.41Å; K1164-R1168 PolarHBondContact O-N 3.28Å
1165L81.7Confident79.3Confident87 Ų8798.3 Ų98.346%0.45547%0.469SS..Hα-helixtrans-76.5-39.7177.3-178.762.4000112.3E1161 M1162 L1163 R1168 K1169E1161-L1165 PolarHBondContact O-N 3.15Å; E1161-L1165 VanDerWaalsContact O-N 3.08Å; M1162-L1165 WeakPolarHBondContact O-CB 3.36Å; M1162-L1165 PolarHBondContact O-N 3.07Å; M1162-L1165 VanDerWaalsContact O-N 3.09Å; L1163-L1165 PolarHBondContact O-N 3.07Å; L1165-R1168 PolarHBondContact O-N 3.4Å; L1165-K1169 WeakPolarHBondContact O-CG 3.39Å; L1165-K1169 PolarHBondContact O-N 2.98Å; L1165-K1169 VanDerWaalsContact O-N 3.08Å
1166E78.8Confident79.3Confident104 Ų10494.8 Ų94.849%0.48646%0.456SS..Hα-helixtrans-61.4-45.6173.5-65.9-107.4108.700111.2M1162 L1163 R1168 K1169 A1170M1162-E1166 VanDerWaalsContact O-CG 3.29Å; M1162-E1166 WeakPolarHBondContact O-CG 3.32Å; M1162-E1166 PolarHBondContact O-N 3.37Å; M1162-E1166 HydrophobicContact SD-CG 4.19Å; L1163-E1166 PolarHBondContact O-N 2.8Å; E1166-R1168 VanDerWaalsContact C-N 3.32Å; E1166-R1168 PolarHBondContact O-N 3.29Å; E1166-K1169 CarbonylContact O-C 3.6Å; E1166-K1169 WeakPolarHBondContact O-CB 3.3Å; E1166-K1169 PolarHBondContact O-N 3.29Å; E1166-K1169 VanDerWaalsContact O-N 3.15Å; E1166-A1170 PolarHBondContact O-N 2.91Å
1167L81.2Confident79.3Confident57 Ų5795.8 Ų95.830%0.29846%0.458SS..Hα-helixtrans-61-39.1179-164.576000112.3L1163 A1170 K1171 W1181L1163-L1167 VanDerWaalsContact O-CB 3.31Å; L1163-L1167 WeakPolarHBondContact O-CB 3.41Å; L1163-L1167 PolarHBondContact O-N 2.94Å; L1167-A1170 PolarHBondContact O-N 3.32Å; L1167-K1171 WeakPolarHBondContact O-CB 3.42Å; L1167-K1171 PolarHBondContact O-N 3.02Å; L1167-W1181 HydrophobicContact CD1-CH2 4.34Å; L1167-W1181 HydrophobicContact CD1-CZ2 3.99Å; L1167-W1181 HydrophobicContact CD2-CZ2 4.36Å; L1167-W1181 HydrophobicContact CG-CH2 4.46Å; L1167-W1181 HydrophobicContact CG-CZ2 3.87Å
1168R76.6Confident79Confident146 Ų14692.5 Ų92.555%0.55146%0.458SS*.Hα-helixtrans-63.6-49.7171.7-73172.6-175.9136.70.6111.5K1164 L1165 E1166 A1170 K1171 D1172K1164-R1168 WeakPolarHBondContact O-CG 3.41Å; K1164-R1168 PolarHBondContact O-N 3.28Å; L1165-R1168 PolarHBondContact O-N 3.4Å; E1166-R1168 VanDerWaalsContact C-N 3.32Å; E1166-R1168 PolarHBondContact O-N 3.29Å; R1168-A1170 PolarHBondContact O-N 3.31Å; R1168-K1171 WeakPolarHBondContact O-CB 3.47Å; R1168-K1171 PolarHBondContact O-N 3.4Å; R1168-K1171 VanDerWaalsContact O-N 3.1Å; R1168-D1172 VanDerWaalsContact O-CG 3.25Å; R1168-D1172 PolarHBondContact O-N 3.39Å
1169K81.3Confident78.7Confident95 Ų9592.9 Ų92.941%0.41347%0.472SS..Hα-helixtrans-58.5-33.8176.1-68.6166.9-178.6168.50112.5L1165 E1166 R1173L1165-K1169 WeakPolarHBondContact O-CG 3.39Å; L1165-K1169 PolarHBondContact O-N 2.98Å; L1165-K1169 VanDerWaalsContact O-N 3.08Å; E1166-K1169 CarbonylContact O-C 3.6Å; E1166-K1169 WeakPolarHBondContact O-CB 3.3Å; E1166-K1169 PolarHBondContact O-N 3.29Å; E1166-K1169 VanDerWaalsContact O-N 3.15Å; K1169-R1173 VanDerWaalsContact O-CB 3.28Å; K1169-R1173 WeakPolarHBondContact O-CB 3.28Å; K1169-R1173 WeakPolarHBondContact O-CD 3.5Å; K1169-R1173 WeakPolarHBondContact O-CG 3.22Å; K1169-R1173 PolarHBondContact O-N 2.86Å
1170A78.2Confident78.2Confident35 Ų3595.6 Ų95.629%0.28948%0.481SS..Hα-helixtrans-69.4-45.117500000111.7E1166 L1167 R1168 D1172 R1173 L1174E1166-A1170 PolarHBondContact O-N 2.91Å; L1167-A1170 PolarHBondContact O-N 3.32Å; R1168-A1170 PolarHBondContact O-N 3.31Å; A1170-D1172 VanDerWaalsContact C-N 3.32Å; A1170-D1172 PolarHBondContact O-N 2.9Å; A1170-R1173 PolarHBondContact O-N 3Å; A1170-L1174 WeakPolarHBondContact O-CB 3.41Å; A1170-L1174 WeakPolarHBondContact O-CG 3.33Å; A1170-L1174 PolarHBondContact O-N 3.42Å
1171K82.3Confident78.1Confident53 Ų5394.5 Ų94.523%0.2348%0.475CS..Hα-helixtrans-56.9-44.3173.9-169.4168.6-170.6162.40111.7L1167 R1168 C1175 W1181 D1184L1167-K1171 WeakPolarHBondContact O-CB 3.42Å; L1167-K1171 PolarHBondContact O-N 3.02Å; R1168-K1171 WeakPolarHBondContact O-CB 3.47Å; R1168-K1171 PolarHBondContact O-N 3.4Å; R1168-K1171 VanDerWaalsContact O-N 3.1Å; K1171-C1175 PolarHBondContact O-N 3.29Å; K1171-W1181 HydrophobicContact CB-CD2 4.43Å; K1171-W1181 HydrophobicContact CB-CE3 4.05Å; K1171-W1181 HydrophobicContact CB-CH2 3.89Å; K1171-W1181 HydrophobicContact CB-CZ2 4.28Å; K1171-W1181 HydrophobicContact CB-CZ3 3.76Å; K1171-W1181 HydrophobicContact CD-CD2 3.65Å; K1171-W1181 HydrophobicContact CD-CE3 4.03Å; K1171-W1181 HydrophobicContact CD-CG 3.95Å; K1171-W1181 HydrophobicContact CD-CZ2 4.3Å; K1171-W1181 HydrophobicContact CD-CZ3 4.49Å; K1171-W1181 HydrophobicContact CG-CD2 3.85Å; K1171-W1181 HydrophobicContact CG-CE3 3.66Å; K1171-W1181 HydrophobicContact CG-CG 4.47Å; K1171-W1181 HydrophobicContact CG-CH2 4.36Å; K1171-W1181 HydrophobicContact CG-CZ3 3.93Å; K1171-W1181 VanDerWaalsContact NZ-CG 3.28Å; K1171-D1184 IonicContact NZ-OD1 2.72Å; K1171-D1184 PolarHBondContact NZ-OD1 2.85Å; K1171-D1184 VanDerWaalsContact NZ-OD1 3.08Å; K1171-D1184 IonicContact NZ-OD2 2.92Å
1172D78.7Confident77.5Confident122 Ų12295.8 Ų95.865%0.65249%0.489SS*.Hα-helixtrans-65.9-43.9176.4-61.2-26.9000112.1R1168 A1170R1168-D1172 VanDerWaalsContact O-CG 3.25Å; R1168-D1172 PolarHBondContact O-N 3.39Å; A1170-D1172 VanDerWaalsContact C-N 3.32Å; A1170-D1172 PolarHBondContact O-N 2.9Å
1173R78.9Confident76.4Confident161 Ų16196.8 Ų96.861%0.60849%0.489SS*.Hα-helixtrans-67.1-36.6179.5-83.6170.8158.8170.2-5.2114.1N567 K1169 A1170 C1175N567-R1173 PolarHBondContact OD1-NE 2.81Å; N567-R1173 PolarHBondContact OD1-NH2 3.02Å; K1169-R1173 VanDerWaalsContact O-CB 3.28Å; K1169-R1173 WeakPolarHBondContact O-CB 3.28Å; K1169-R1173 WeakPolarHBondContact O-CD 3.5Å; K1169-R1173 WeakPolarHBondContact O-CG 3.22Å; K1169-R1173 PolarHBondContact O-N 2.86Å; A1170-R1173 PolarHBondContact O-N 3Å; R1173-C1175 VanDerWaalsContact C-N 3.29Å
1174L79.9Confident75.4Confident98 Ų9896.3 Ų96.351%0.51349%0.487SS..THydrogen-bonded Turntrans-85.4-1.3-176.6-68.9169.5000112.8A1170 V1176A1170-L1174 WeakPolarHBondContact O-CB 3.41Å; A1170-L1174 WeakPolarHBondContact O-CG 3.33Å; A1170-L1174 PolarHBondContact O-N 3.42Å; L1174-V1176 HydrophobicContact CB-CG2 3.61Å; L1174-V1176 PolarHBondContact O-N 2.92Å
1175C81.5Confident74.2Confident109 Ų10997.4 Ų97.474%0.73650%0.5SS*.THydrogen-bonded Turntrans50.929-180-63.90000114K1171 R1173 P1177K1171-C1175 PolarHBondContact O-N 3.29Å; R1173-C1175 VanDerWaalsContact C-N 3.29Å; C1175-P1177 WeakPolarHBondContact O-CD 3.33Å
1176V77Confident72.6Confident43 Ų43102.4 Ų102.426%0.26152%0.518SS..  trans-70.5121.6-172.4-175.20000109.2L1174 K1180 W1181L1174-V1176 HydrophobicContact CB-CG2 3.61Å; L1174-V1176 PolarHBondContact O-N 2.92Å; V1176-K1180 HydrophobicContact CG1-CB 3.95Å; V1176-W1181 HydrophobicContact CB-CE3 4.1Å; V1176-W1181 HydrophobicContact CG1-CB 4.37Å; V1176-W1181 HydrophobicContact CG1-CE3 4.2Å; V1176-W1181 HydrophobicContact CG2-CE3 4.22Å; V1176-W1181 HydrophobicContact CG2-CZ3 4.41Å
1177P74.6Confident71.2Confident70 Ų70102 Ų10246%0.45552%0.515SS..  trans-55.7138.1173.7-24.434.3000109.9C1175 N1179 K1180C1175-P1177 WeakPolarHBondContact O-CD 3.33Å; P1177-N1179 PolarHBondContact O-N 3.3Å; P1177-K1180 PolarHBondContact O-N 3.14Å
1178P69.4Low69.2Low99 Ų99103.7 Ų103.764%0.64353%0.532SS*.G310 helixtrans-54.4-34.2-174.518.5-30.6000112.4K1180 W1181P1178-K1180 PolarHBondContact O-N 3.32Å; P1178-K1180 VanDerWaalsContact O-N 3.15Å; P1178-W1181 PolarHBondContact O-N 3.06Å; P1178-W1181 VanDerWaalsContact O-N 3.16Å
1179N75.1Confident67.4Low157 Ų157105 Ų10584%0.8455%0.55SS*.G310 helixtrans-65.3-12.1177.8-4918.9000114.4P1177P1177-N1179 PolarHBondContact O-N 3.3Å
1180K71.5Confident65.4Low163 Ų163108.5 Ų108.571%0.70957%0.567SS**G310 helixtrans-110.6-0.1177.2-69.6-169.4175.5-174.80113.3V1176 P1177 P1178 T1182V1176-K1180 HydrophobicContact CG1-CB 3.95Å; P1177-K1180 PolarHBondContact O-N 3.14Å; P1178-K1180 PolarHBondContact O-N 3.32Å; P1178-K1180 VanDerWaalsContact O-N 3.15Å; K1180-T1182 PolarHBondContact O-N 3.4Å
1181W73.8Confident63.4Low35 Ų35116.3 Ų116.313%0.13360%0.595CS.*  trans-88.799.1-178.5-175.7-86.7000111.2L1167 K1171 V1176 P1178 Y1183 D1184L1167-W1181 HydrophobicContact CD1-CH2 4.34Å; L1167-W1181 HydrophobicContact CD1-CZ2 3.99Å; L1167-W1181 HydrophobicContact CD2-CZ2 4.36Å; L1167-W1181 HydrophobicContact CG-CH2 4.46Å; L1167-W1181 HydrophobicContact CG-CZ2 3.87Å; K1171-W1181 HydrophobicContact CB-CD2 4.43Å; K1171-W1181 HydrophobicContact CB-CE3 4.05Å; K1171-W1181 HydrophobicContact CB-CH2 3.89Å; K1171-W1181 HydrophobicContact CB-CZ2 4.28Å; K1171-W1181 HydrophobicContact CB-CZ3 3.76Å; K1171-W1181 HydrophobicContact CD-CD2 3.65Å; K1171-W1181 HydrophobicContact CD-CE3 4.03Å; K1171-W1181 HydrophobicContact CD-CG 3.95Å; K1171-W1181 HydrophobicContact CD-CZ2 4.3Å; K1171-W1181 HydrophobicContact CD-CZ3 4.49Å; K1171-W1181 HydrophobicContact CG-CD2 3.85Å; K1171-W1181 HydrophobicContact CG-CE3 3.66Å; K1171-W1181 HydrophobicContact CG-CG 4.47Å; K1171-W1181 HydrophobicContact CG-CH2 4.36Å; K1171-W1181 HydrophobicContact CG-CZ3 3.93Å; K1171-W1181 VanDerWaalsContact NZ-CG 3.28Å; V1176-W1181 HydrophobicContact CB-CE3 4.1Å; V1176-W1181 HydrophobicContact CG1-CB 4.37Å; V1176-W1181 HydrophobicContact CG1-CE3 4.2Å; V1176-W1181 HydrophobicContact CG2-CE3 4.22Å; V1176-W1181 HydrophobicContact CG2-CZ3 4.41Å; P1178-W1181 PolarHBondContact O-N 3.06Å; P1178-W1181 VanDerWaalsContact O-N 3.16Å; W1181-Y1183 PolarHBondContact NE1-O 3.11Å; W1181-D1184 PolarHBondContact NE1-OD1 3.34Å
1182T66.7Low60.9Low119 Ų119117.4 Ų117.473%0.7362%0.622SS**  trans-85-17.5179.346.10000114.2K1180 D1184K1180-T1182 PolarHBondContact O-N 3.4Å; T1182-D1184 PolarHBondContact O-N 2.63Å
1183Y59.4Low58.6Low121 Ų121120 Ų12048%0.47566%0.66SS.*  trans-95.651.4-172-64.7-85.2000113.1I577 W1181I577-Y1183 HydrophobicContact CD1-CD1 4.19Å; I577-Y1183 HydrophobicContact CD1-CE1 4.08Å; W1181-Y1183 PolarHBondContact NE1-O 3.11Å
1184D58.4Low57.6Low93 Ų93117.9 Ų117.950%0.49766%0.662SS.*  trans-85.2111.1167.9-82.7-19.1000109.7K1171 W1181 T1182 K1186K1171-D1184 IonicContact NZ-OD1 2.72Å; K1171-D1184 PolarHBondContact NZ-OD1 2.85Å; K1171-D1184 VanDerWaalsContact NZ-OD1 3.08Å; K1171-D1184 IonicContact NZ-OD2 2.92Å; W1181-D1184 PolarHBondContact NE1-OD1 3.34Å; T1182-D1184 PolarHBondContact O-N 2.63Å; D1184-K1186 PolarHBondContact O-N 3.43Å
1185C52.4Low56.4Low79 Ų79118.9 Ų118.953%0.53467%0.67SS.*  trans-66.185.5179.1-67.40000112.7F1187C1185-F1187 VanDerWaalsContact C-N 3.34Å; C1185-F1187 HydrophobicContact CB-CD2 4.04Å; C1185-F1187 HydrophobicContact CB-CE2 3.87Å; C1185-F1187 PolarHBondContact O-N 3.31Å
1186K49.2Very low55Low191 Ų191119.5 Ų119.583%0.8367%0.667SS**  trans-79.177.4172.7-67.2-178.9-177.9177.10111.3D1184D1184-K1186 PolarHBondContact O-N 3.43Å
1187F48.4Very low53.7Low96 Ų96124 Ų12442%0.42169%0.69SS.*  trans-75.5125.1162.2-69-80.5000109.2C1185C1185-F1187 VanDerWaalsContact C-N 3.34Å; C1185-F1187 HydrophobicContact CB-CD2 4.04Å; C1185-F1187 HydrophobicContact CB-CE2 3.87Å; C1185-F1187 PolarHBondContact O-N 3.31Å
1188S40.6Very low52.4Low93 Ų93127.4 Ų127.465%0.6571%0.705SS**  trans-82.3123.8175-65.80000110.3Q1190S1188-Q1190 VanDerWaalsContact C-N 3.3Å; S1188-Q1190 PolarHBondContact O-N 2.97Å
1189D38Very low51.3Low173 Ų173129.3 Ų129.393%0.92571%0.709SS**  trans-69.283.5171.5-70.6-45.2000110.6
1190Q39.9Very low49.6Very low168 Ų168127.3 Ų127.379%0.78570%0.7SS**  trans-108.8-9.4172.8-68.3-165.40.700114S1188 G1192S1188-Q1190 VanDerWaalsContact C-N 3.3Å; S1188-Q1190 PolarHBondContact O-N 2.97Å; Q1190-G1192 VanDerWaalsContact C-N 3.31Å; Q1190-G1192 PolarHBondContact O-N 3.35Å
1191F35.8Very low47.9Very low199 Ų199124.5 Ų124.587%0.87370%0.699SS**  trans-81.177.6174.7-74.3-80.3000111.2
1192G29.8Very low45.7Very low76 Ų76132 Ų13278%0.78475%0.747SS**  trans-14446-176.500000113.8Q1190Q1190-G1192 VanDerWaalsContact C-N 3.31Å; Q1190-G1192 PolarHBondContact O-N 3.35Å
1193A30.1Very low43.8Very low176 Ų176133.2 Ų133.2100%1.45575%0.748SS**  trans-146.40174.200000110.8

Retrieved 1,193 of 1,193 residues in 1286.2 ms (Link to these results)

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