A0A087XDU5_POEFO Loading...

Crystallin, zeta (quinone reductase)-like 1

AlphaFold DB , UniProt , Accession A0A087XDU5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 313 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
1M95.1Very high94Very high16 Ų1623.8 Ų23.88%0.07911%0.113CC..  0150.5066.7175.8-123.700110.3V3 V32 V35 V52 V68 I69 I71 L76M1-V3 HydrophobicContact CE-CG2 4.18Å; M1-V32 HydrophobicContact CE-CB 3.84Å; M1-V32 HydrophobicContact CE-CG2 3.79Å; M1-V35 CarbonylContact C-O 3.59Å; M1-V35 VanDerWaalsContact CA-O 3.3Å; M1-V35 WeakPolarHBondContact CA-O 3.49Å; M1-V35 WeakPolarHBondContact CB-O 3.17Å; M1-V52 HydrophobicContact SD-CG2 3.66Å; M1-V68 WeakPolarHBondContact O-CA 3.38Å; M1-I69 HydrophobicContact CE-CG2 4.35Å; M1-I69 HydrophobicContact CG-CG2 3.64Å; M1-I69 PolarHBondContact N-O 2.8Å; M1-I69 PolarHBondContact O-N 3.48Å; M1-I69 HydrophobicContact SD-CG2 4.46Å; M1-I71 HydrophobicContact CE-CD1 4.26Å; M1-I71 HydrophobicContact CG-CD1 4.21Å; M1-I71 HydrophobicContact SD-CD1 3.71Å; M1-L76 HydrophobicContact SD-CD1 4.35Å; M1-L76 HydrophobicContact SD-CD2 4.15Å
2K97.7Very high93.5Very high115 Ų11525.3 Ų25.350%0.512%0.122SC..EExtended strand (participates in β ladder)trans-82.4120.3169.1-174.9174.5-179.1176.40109G34 V35 L37 E67K2-G34 CarbonylContact O-C 3.49Å; K2-G34 WeakPolarHBondContact O-CA 3.48Å; K2-V35 PolarHBondContact N-O 3.36Å; K2-V35 PolarHBondContact O-N 3.04Å; K2-L37 HydrophobicContact CB-CD1 3.87Å; K2-L37 HydrophobicContact CB-CD2 3.92Å; K2-L37 HydrophobicContact CB-CG 3.79Å; K2-E67 WeakPolarHBondContact CA-O 3.34Å
3V97.6Very high93Very high2 Ų231.4 Ų31.41%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-79.8132.3-179.6-165.20000109M1 A5 V32 C66 E67 I69 L313M1-V3 HydrophobicContact CE-CG2 4.18Å; V3-A5 WeakPolarHBondContact CG1-O 3.43Å; V3-V32 HydrophobicContact CG1-CB 4.34Å; V3-V32 HydrophobicContact CG1-CG1 4.35Å; V3-C66 WeakPolarHBondContact CB-O 3.34Å; V3-C66 VanDerWaalsContact CG2-O 3.31Å; V3-C66 WeakPolarHBondContact CG2-O 3.39Å; V3-E67 PolarHBondContact N-O 2.86Å; V3-I69 HydrophobicContact CG2-CB 4.26Å; V3-I69 HydrophobicContact CG2-CG2 3.49Å; V3-I69 VanDerWaalsContact CG2-CG2 3.49Å; V3-L313 HydrophobicContact CB-CD1 3.75Å; V3-L313 HydrophobicContact CG1-CD1 3.51Å
4K97Very high92.6Very high81 Ų8137.1 Ų37.135%0.35217%0.172SC..EExtended strand (participates in β ladder)trans-104.1-32.3174.1-72.1-179.61711730111.8A33 V35 E51 L313K4-A33 PolarHBondContact N-O 2.95Å; K4-V35 HydrophobicContact CD-CG2 4.12Å; K4-V35 VanDerWaalsContact NZ-CG2 3.34Å; K4-E51 IonicContact NZ-OE1 3.1Å; K4-E51 PolarHBondContact NZ-OE1 3.43Å; K4-L313 PolarHBondContact O-N 3.28Å; K4-L313 VanDerWaalsContact O-N 3.14Å
5A96.6Very high92.2Very high0 Ų036.1 Ų36.10%017%0.168CC..EExtended strand (participates in β ladder)trans-148.9146.5179.200000110.9V3 A33 S85 L86 A89 V310 V311V3-A5 WeakPolarHBondContact CG1-O 3.43Å; A5-A33 HydrophobicContact CB-CB 4.47Å; A5-A33 PolarHBondContact N-O 3.06Å; A5-A33 PolarHBondContact O-N 3.03Å; A5-S85 WeakPolarHBondContact CB-O 3.45Å; A5-L86 HydrophobicContact CB-CD2 3.85Å; A5-L86 HydrophobicContact CB-CG 4.43Å; A5-A89 HydrophobicContact CB-CB 3.98Å; A5-V310 HydrophobicContact CB-CG1 4.15Å; A5-V311 CarbonylContact C-O 3.6Å; A5-V311 VanDerWaalsContact CA-O 3.31Å; A5-V311 WeakPolarHBondContact CA-O 3.34Å
6C96.5Very high91.9Very high0 Ų034.3 Ų34.30%016%0.16CC..EExtended strand (participates in β ladder)trans-136.3120.8178.8-176.70000110.3G29 E31 L65 V310 V311 L313C6-G29 WeakPolarHBondContact SG-CA 3.3Å; C6-G29 PolarHBondContact SG-O 3.21Å; C6-G29 VanDerWaalsContact SG-O 3.35Å; C6-E31 CarbonylContact C-O 3.46Å; C6-E31 VanDerWaalsContact CA-O 3.27Å; C6-E31 WeakPolarHBondContact CA-O 3.35Å; C6-L65 HydrophobicContact CB-CD2 3.94Å; C6-V310 CarbonylContact O-C 3.52Å; C6-V310 WeakPolarHBondContact O-CA 3.36Å; C6-V311 PolarHBondContact N-O 3.38Å; C6-V311 PolarHBondContact O-N 3.13Å; C6-L313 HydrophobicContact CB-CD1 4.18Å
7G94.6Very high91.5Very high0 Ų041.3 Ų41.30%019%0.193CC..EExtended strand (participates in β ladder)trans-78.7137.4174.500000110.8G29 E31G7-G29 VanDerWaalsContact O-CA 3.25Å; G7-G29 WeakPolarHBondContact O-CA 3.35Å; G7-E31 PolarHBondContact N-O 3Å
8L92.8Very high91.3Very high0 Ų045.8 Ų45.80%021%0.214CC..EExtended strand (participates in β ladder)trans-101.8127.1174.2-61.5-176.5000109.5L65 A297 M298 I301 A309 V311L8-L65 HydrophobicContact CD2-CD1 4.04Å; L8-L65 HydrophobicContact CD2-CD2 4.03Å; L8-L65 HydrophobicContact CD2-CG 4.21Å; L8-A297 HydrophobicContact CD1-CB 3.91Å; L8-M298 HydrophobicContact CB-SD 4.36Å; L8-M298 HydrophobicContact CD1-CB 4.32Å; L8-M298 HydrophobicContact CD2-SD 4.26Å; L8-I301 HydrophobicContact CB-CD1 3.31Å; L8-I301 HydrophobicContact CD1-CD1 4.12Å; L8-I301 HydrophobicContact CG-CD1 4.36Å; L8-A309 HydrophobicContact CD1-CB 4.4Å; L8-A309 PolarHBondContact N-O 3.18Å; L8-V311 HydrophobicContact CD1-CG2 3.77Å; L8-V311 HydrophobicContact CD2-CG2 4.44Å; L8-V311 HydrophobicContact CG-CG2 4.01Å
9S89.3Confident91Very high9 Ų947.1 Ų47.16%0.06323%0.225CC..  trans-132.4148.4178.9-81.20000109.5E31 M298S9-E31 PolarHBondContact OG-OE1 2.7Å; S9-M298 WeakPolarHBondContact O-CE 3.43Å
10P89.2Confident90.6Very high24 Ų2447.3 Ų47.316%0.15624%0.24CC..  trans-61.7143.5-178.927-35.3000110.9I301 P305P10-I301 HydrophobicContact CB-CG2 4.16Å; P10-I301 HydrophobicContact CG-CG2 4.5Å; P10-P305 HydrophobicContact CB-CB 3.98Å; P10-P305 HydrophobicContact CG-CB 3.9Å
11L87.6Confident90.4Very high15 Ų1546.6 Ų46.68%0.07924%0.237CC..  trans-94.2140176.1-67.5177.2000110.7F13 I26 V28 M298 Q302L11-F13 HydrophobicContact CB-CE1 4.23Å; L11-F13 HydrophobicContact CB-CE2 4.44Å; L11-F13 HydrophobicContact CB-CZ 4.11Å; L11-F13 HydrophobicContact CD1-CE1 4.16Å; L11-F13 HydrophobicContact CD1-CZ 4.26Å; L11-I26 HydrophobicContact CD1-CG2 3.67Å; L11-V28 HydrophobicContact CD1-CG1 3.72Å; L11-M298 HydrophobicContact CD1-CE 4.4Å; L11-M298 HydrophobicContact CG-CE 4.09Å; L11-Q302 PolarHBondContact O-NE2 3.08Å
12D88.1Confident89.7Confident42 Ų4254.5 Ų54.523%0.22527%0.273CS..  trans-100.981.8177.3-173-6000109.8K14 L15 I16 K228D12-K14 PolarHBondContact O-N 3.39Å; D12-L15 HydrophobicContact CB-CB 3.91Å; D12-L15 PolarHBondContact O-N 2.88Å; D12-L15 VanDerWaalsContact O-N 3.15Å; D12-L15 PolarHBondContact OD1-N 3.4Å; D12-L15 VanDerWaalsContact OD1-N 3.11Å; D12-L15 WeakPolarHBondContact OD2-CB 3.42Å; D12-I16 VanDerWaalsContact O-CG1 3.31Å; D12-I16 WeakPolarHBondContact O-CG1 3.44Å; D12-I16 PolarHBondContact O-N 2.86Å; D12-K228 IonicContact OD1-NZ 2.78Å; D12-K228 PolarHBondContact OD1-NZ 2.95Å; D12-K228 VanDerWaalsContact OD1-NZ 3.1Å; D12-K228 VanDerWaalsContact OD2-CE 3.28Å; D12-K228 WeakPolarHBondContact OD2-CE 3.32Å; D12-K228 IonicContact OD2-NZ 3.16Å; D12-K228 PolarHBondContact OD2-NZ 2.91Å
13F87.4Confident88.9Confident104 Ų10454 Ų5446%0.45627%0.268SS..Hα-helixtrans-57.8-33.5-176.5-64.2-65.4000112.7L11 Q17 I26 Q302L11-F13 HydrophobicContact CB-CE1 4.23Å; L11-F13 HydrophobicContact CB-CE2 4.44Å; L11-F13 HydrophobicContact CB-CZ 4.11Å; L11-F13 HydrophobicContact CD1-CE1 4.16Å; L11-F13 HydrophobicContact CD1-CZ 4.26Å; F13-Q17 WeakPolarHBondContact O-CB 3.39Å; F13-Q17 PolarHBondContact O-N 2.88Å; F13-I26 HydrophobicContact CD1-CD1 3.54Å; F13-I26 HydrophobicContact CE1-CD1 3.72Å; F13-Q302 HydrophobicContact CE2-CG 4.27Å
14K86.7Confident88.1Confident112 Ų11261.4 Ų61.449%0.48731%0.308SS..Hα-helixtrans-66.2-48.6177.3-166.3-174-175.8-162.80110.8D12 I16 Q17 E18D12-K14 PolarHBondContact O-N 3.39Å; K14-I16 PolarHBondContact O-N 3.24Å; K14-Q17 PolarHBondContact O-N 2.82Å; K14-E18 WeakPolarHBondContact CE-OE1 2.95Å; K14-E18 IonicContact NZ-OE1 3.73Å; K14-E18 WeakPolarHBondContact O-CB 3.38Å; K14-E18 VanDerWaalsContact O-CG 3.31Å; K14-E18 WeakPolarHBondContact O-CG 3.45Å; K14-E18 PolarHBondContact O-N 3.27Å
15L86.8Confident87.5Confident22 Ų2266 Ų6612%0.11533%0.328CS..Hα-helixtrans-60.2-45.8176.1177.466.8000111.5D12 Q17 E18 V19 L58 E253D12-L15 HydrophobicContact CB-CB 3.91Å; D12-L15 PolarHBondContact O-N 2.88Å; D12-L15 VanDerWaalsContact O-N 3.15Å; D12-L15 PolarHBondContact OD1-N 3.4Å; D12-L15 VanDerWaalsContact OD1-N 3.11Å; D12-L15 WeakPolarHBondContact OD2-CB 3.42Å; L15-Q17 PolarHBondContact O-N 2.77Å; L15-E18 PolarHBondContact O-N 3.05Å; L15-E18 VanDerWaalsContact O-N 3.08Å; L15-V19 HydrophobicContact CD1-CG1 3.92Å; L15-V19 HydrophobicContact CG-CG1 4.36Å; L15-V19 WeakPolarHBondContact O-CG2 2.83Å; L15-V19 PolarHBondContact O-N 3.34Å; L15-L58 HydrophobicContact CD2-CD2 4.34Å; L15-E253 HydrophobicContact CD2-CB 3.92Å; L15-E253 HydrophobicContact CD2-CG 3.67Å
16I86.9Confident87Confident7 Ų768.9 Ų68.94%0.03634%0.343CS..Hα-helixtrans-55.3-43.5178.6-68.5170.3000110.6D12 K14 V19 G20 I21 I26 L58D12-I16 VanDerWaalsContact O-CG1 3.31Å; D12-I16 WeakPolarHBondContact O-CG1 3.44Å; D12-I16 PolarHBondContact O-N 2.86Å; K14-I16 PolarHBondContact O-N 3.24Å; I16-V19 WeakPolarHBondContact O-CG2 3.45Å; I16-G20 PolarHBondContact O-N 3.3Å; I16-I21 HydrophobicContact CG2-CB 3.83Å; I16-I21 HydrophobicContact CG2-CG2 3.96Å; I16-I21 PolarHBondContact O-N 3.41Å; I16-I21 VanDerWaalsContact O-N 3.08Å; I16-I26 HydrophobicContact CD1-CD1 4.18Å; I16-I26 HydrophobicContact CD1-CG2 3.75Å; I16-I26 HydrophobicContact CG2-CD1 4.05Å; I16-L58 HydrophobicContact CG1-CD1 4.18Å; I16-L58 HydrophobicContact CG1-CD2 4.5Å; I16-L58 HydrophobicContact CG1-CG 4.49Å
17Q86.4Confident86.7Confident153 Ų15370 Ų7072%0.71535%0.35SS*.Hα-helixtrans-67.3-43.3175.7-171.61798.200112.3F13 K14 L15 V19 G20F13-Q17 WeakPolarHBondContact O-CB 3.39Å; F13-Q17 PolarHBondContact O-N 2.88Å; K14-Q17 PolarHBondContact O-N 2.82Å; L15-Q17 PolarHBondContact O-N 2.77Å; Q17-V19 PolarHBondContact O-N 3.28Å; Q17-G20 PolarHBondContact O-N 3.27Å; Q17-G20 VanDerWaalsContact O-N 3.08Å
18E86.8Confident86.5Confident123 Ų12371.6 Ų71.658%0.57536%0.36SS*.Hα-helixtrans-64.6-35.7-180-75.4172177.800112.8K14 L15 G20K14-E18 WeakPolarHBondContact CE-OE1 2.95Å; K14-E18 IonicContact NZ-OE1 3.73Å; K14-E18 WeakPolarHBondContact O-CB 3.38Å; K14-E18 VanDerWaalsContact O-CG 3.31Å; K14-E18 WeakPolarHBondContact O-CG 3.45Å; K14-E18 PolarHBondContact O-N 3.27Å; L15-E18 PolarHBondContact O-N 3.05Å; L15-E18 VanDerWaalsContact O-N 3.08Å; E18-G20 PolarHBondContact O-N 2.7Å
19V85.3Confident86.5Confident69 Ų6971.8 Ų71.842%0.41836%0.361SS..THydrogen-bonded Turntrans-79.71.6174.6-58.30000113.2L15 I16 Q17 I21 L58L15-V19 HydrophobicContact CD1-CG1 3.92Å; L15-V19 HydrophobicContact CG-CG1 4.36Å; L15-V19 WeakPolarHBondContact O-CG2 2.83Å; L15-V19 PolarHBondContact O-N 3.34Å; I16-V19 WeakPolarHBondContact O-CG2 3.45Å; Q17-V19 PolarHBondContact O-N 3.28Å; V19-I21 HydrophobicContact CG2-CB 4.44Å; V19-I21 HydrophobicContact CG2-CD1 3.58Å; V19-I21 HydrophobicContact CG2-CG1 3.8Å; V19-L58 HydrophobicContact CG2-CD2 4.14Å
20G84.7Confident86.7Confident51 Ų5171.9 Ų71.953%0.52636%0.361SS..THydrogen-bonded Turntrans79.216.4174.300000115I16 Q17 E18 Q22I16-G20 PolarHBondContact O-N 3.3Å; Q17-G20 PolarHBondContact O-N 3.27Å; Q17-G20 VanDerWaalsContact O-N 3.08Å; E18-G20 PolarHBondContact O-N 2.7Å; G20-Q22 PolarHBondContact O-N 2.95Å; G20-Q22 VanDerWaalsContact O-N 3.15Å
21I84.9Confident87Confident34 Ų3470.8 Ų70.817%0.17435%0.353CS..  trans-76.9104174.6-64.4165.5000108.1I16 V19 R23 L58 D59I16-I21 HydrophobicContact CG2-CB 3.83Å; I16-I21 HydrophobicContact CG2-CG2 3.96Å; I16-I21 PolarHBondContact O-N 3.41Å; I16-I21 VanDerWaalsContact O-N 3.08Å; V19-I21 HydrophobicContact CG2-CB 4.44Å; V19-I21 HydrophobicContact CG2-CD1 3.58Å; V19-I21 HydrophobicContact CG2-CG1 3.8Å; I21-R23 HydrophobicContact CG2-CG 4.41Å; I21-L58 HydrophobicContact CD1-CB 4.47Å; I21-L58 HydrophobicContact CD1-CD2 4.16Å; I21-L58 HydrophobicContact CD1-CG 3.96Å; I21-D59 HydrophobicContact CD1-CB 3.91Å; I21-D59 HydrophobicContact CG1-CB 4.28Å
22Q80.6Confident87.5Confident182 Ų18270.1 Ų70.185%0.8535%0.35SS*.  trans-108.2111.4176.3-65.7-172.6-1100109.9G20G20-Q22 PolarHBondContact O-N 2.95Å; G20-Q22 VanDerWaalsContact O-N 3.15Å
23R80.3Confident87.9Confident103 Ų10368.1 Ų68.139%0.38934%0.339SS..  trans-144.7149.5176.7-66.9-170.9174.7151.11.9110.7I21 F25 D59 S60I21-R23 HydrophobicContact CG2-CG 4.41Å; R23-F25 WeakPolarHBondContact CB-O 3.37Å; R23-F25 PolarHBondContact O-N 3.19Å; R23-D59 PolarHBondContact NH1-O 3.47Å; R23-D59 PolarHBondContact NH2-O 2.87Å; R23-S60 PolarHBondContact NH1-O 2.92Å
24D81.6Confident88.4Confident159 Ų15963.1 Ų63.185%0.8532%0.317SS*.SBendtrans-66.3-31174.5-59.5-30.6000111.7
25F83.6Confident89Confident178 Ų17858.5 Ų58.578%0.78130%0.298SS*.SBendtrans-129132.9177.5-58.8-78.3000110.5R23R23-F25 WeakPolarHBondContact CB-O 3.37Å; R23-F25 PolarHBondContact O-N 3.19Å
26I87.3Confident89.5Confident59 Ų5957.9 Ų57.930%0.30330%0.295SS..PPolyproline II helixtrans-101.1116.4174.9-63.6171.1000108L11 F13 I16L11-I26 HydrophobicContact CD1-CG2 3.67Å; F13-I26 HydrophobicContact CD1-CD1 3.54Å; F13-I26 HydrophobicContact CE1-CD1 3.72Å; I16-I26 HydrophobicContact CD1-CD1 4.18Å; I16-I26 HydrophobicContact CD1-CG2 3.75Å; I16-I26 HydrophobicContact CG2-CD1 4.05Å
27P89.3Confident90.1Very high24 Ų2461.4 Ų61.416%0.15631%0.314CS..PPolyproline II helixtrans-63136.6177.3-26.638.7000112.6S60 P61 C62P27-S60 WeakPolarHBondContact CG-O 3.24Å; P27-P61 WeakPolarHBondContact CG-O 3.37Å; P27-C62 WeakPolarHBondContact CB-O 3.36Å
28V91.5Very high90.6Very high34 Ų3461.9 Ų61.921%0.20632%0.316CS..PPolyproline II helixtrans-101.4170.2174.5-61.10000110L11 S63 G64 L65 M298L11-V28 HydrophobicContact CD1-CG1 3.72Å; V28-S63 WeakPolarHBondContact O-CA 3.18Å; V28-S63 PolarHBondContact O-OG 2.89Å; V28-G64 PolarHBondContact O-N 3.29Å; V28-L65 HydrophobicContact CG2-CD1 3.56Å; V28-L65 HydrophobicContact CG2-CG 4.32Å; V28-M298 HydrophobicContact CB-CG 4.27Å; V28-M298 HydrophobicContact CB-SD 4.01Å; V28-M298 HydrophobicContact CG1-CE 4.1Å; V28-M298 HydrophobicContact CG1-CG 3.94Å; V28-M298 HydrophobicContact CG1-SD 4.04Å
29G92.9Very high91.1Very high3 Ų358.3 Ų58.33%0.03130%0.303CS..  trans63.984.7173.100000112.8C6 G7 G64C6-G29 WeakPolarHBondContact SG-CA 3.3Å; C6-G29 PolarHBondContact SG-O 3.21Å; C6-G29 VanDerWaalsContact SG-O 3.35Å; G7-G29 VanDerWaalsContact O-CA 3.25Å; G7-G29 WeakPolarHBondContact O-CA 3.35Å; G29-G64 WeakPolarHBondContact O-CA 3.4Å; G29-G64 PolarHBondContact O-N 3.5Å
30R93.6Very high91.7Very high12 Ų1256.8 Ų56.85%0.04530%0.301CS..  trans-104.5-22.6-170.7-69.5-171.9-64.2136-0.3113V32 V55 L56 E253R30-V32 PolarHBondContact O-N 3.24Å; R30-V55 HydrophobicContact CB-CG1 4.23Å; R30-V55 CarbonylContact O-C 3.51Å; R30-V55 WeakPolarHBondContact O-CA 3.11Å; R30-L56 HydrophobicContact CB-CB 3.96Å; R30-L56 HydrophobicContact CG-CB 4.08Å; R30-L56 WeakPolarHBondContact O-CG 3.27Å; R30-L56 PolarHBondContact O-N 2.92Å; R30-E253 IonicContact CZ-OE1 3.22Å; R30-E253 IonicContact CZ-OE2 3.7Å; R30-E253 IonicContact NH1-OE2 3.77Å; R30-E253 PolarHBondContact NH1-OE2 3.37Å; R30-E253 IonicContact NH2-OE1 3.91Å; R30-E253 PolarHBondContact NH2-OE1 3Å; R30-E253 IonicContact NH2-OE2 3.42Å; R30-E253 PolarHBondContact NH2-OE2 3.37Å
31E95.1Very high92.3Very high1 Ų161.1 Ų61.11%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-83.1107.9175.8-57.695.6129.400109.4C6 G7 S9 V55 A89 R93 K308C6-E31 CarbonylContact C-O 3.46Å; C6-E31 VanDerWaalsContact CA-O 3.27Å; C6-E31 WeakPolarHBondContact CA-O 3.35Å; G7-E31 PolarHBondContact N-O 3Å; S9-E31 PolarHBondContact OG-OE1 2.7Å; E31-V55 HydrophobicContact CG-CG1 4.44Å; E31-V55 HydrophobicContact CG-CG2 4.18Å; E31-A89 WeakPolarHBondContact CB-O 3.37Å; E31-R93 HydrophobicContact CG-CB 3.73Å; E31-R93 WeakPolarHBondContact OE1-CB 3.38Å; E31-R93 VanDerWaalsContact OE1-CD 3.3Å; E31-R93 WeakPolarHBondContact OE1-CD 3.49Å; E31-K308 IonicContact OE1-NZ 2.61Å
32V97.3Very high92.8Very high0 Ų068.3 Ų68.30%035%0.35CS..EExtended strand (participates in β ladder)trans-119141.5-173.2-66.90000111.3M1 V3 R30 V53 G54 L56 I71M1-V32 HydrophobicContact CE-CB 3.84Å; M1-V32 HydrophobicContact CE-CG2 3.79Å; V3-V32 HydrophobicContact CG1-CB 4.34Å; V3-V32 HydrophobicContact CG1-CG1 4.35Å; R30-V32 PolarHBondContact O-N 3.24Å; V32-V53 CarbonylContact O-C 3.53Å; V32-V53 VanDerWaalsContact O-CA 3.28Å; V32-V53 WeakPolarHBondContact O-CA 3.28Å; V32-V53 VanDerWaalsContact O-CG2 3.3Å; V32-V53 WeakPolarHBondContact O-CG2 3.42Å; V32-G54 PolarHBondContact N-O 2.91Å; V32-G54 PolarHBondContact O-N 2.9Å; V32-L56 HydrophobicContact CG1-CD1 4.35Å; V32-L56 HydrophobicContact CG1-CG 4.44Å; V32-L56 HydrophobicContact CG2-CD2 4.3Å; V32-L56 HydrophobicContact CG2-CG 4.41Å; V32-I71 HydrophobicContact CG2-CD1 3.6Å
33A97.8Very high93.6Very high0 Ų061.8 Ų61.80%032%0.322CS..EExtended strand (participates in β ladder)trans-131.7135.4171.600000109.5K4 A5 V52 V53 S85 A88 A89K4-A33 PolarHBondContact N-O 2.95Å; A5-A33 HydrophobicContact CB-CB 4.47Å; A5-A33 PolarHBondContact N-O 3.06Å; A5-A33 PolarHBondContact O-N 3.03Å; A33-V52 WeakPolarHBondContact CA-O 3.31Å; A33-V53 HydrophobicContact CB-CB 4.36Å; A33-V53 HydrophobicContact CB-CG2 4.04Å; A33-S85 WeakPolarHBondContact CB-O 3.48Å; A33-A88 HydrophobicContact CB-CB 4.35Å; A33-A89 HydrophobicContact CB-CB 4.2Å
34G97.7Very high94.3Very high0 Ų061.9 Ų61.90%033%0.334CS..EExtended strand (participates in β ladder)trans-172.3-162.6-172.400000114.4K2 E51 V52K2-G34 CarbonylContact O-C 3.49Å; K2-G34 WeakPolarHBondContact O-CA 3.48Å; G34-E51 WeakPolarHBondContact O-CA 3.26Å; G34-V52 PolarHBondContact N-O 2.94Å; G34-V52 PolarHBondContact O-N 3.13Å
35V98.3Very high95Very high15 Ų1559.3 Ų59.39%0.09132%0.316CS..EExtended strand (participates in β ladder)trans-124.9135.4-178.8-178.40000109.6M1 K2 K4 L37 D50 E51M1-V35 CarbonylContact C-O 3.59Å; M1-V35 VanDerWaalsContact CA-O 3.3Å; M1-V35 WeakPolarHBondContact CA-O 3.49Å; M1-V35 WeakPolarHBondContact CB-O 3.17Å; K2-V35 PolarHBondContact N-O 3.36Å; K2-V35 PolarHBondContact O-N 3.04Å; K4-V35 HydrophobicContact CD-CG2 4.12Å; K4-V35 VanDerWaalsContact NZ-CG2 3.34Å; V35-L37 PolarHBondContact O-N 2.64Å; V35-D50 CarbonylContact C-O 3.58Å; V35-D50 WeakPolarHBondContact CA-O 3.46Å; V35-E51 HydrophobicContact CG2-CG 4.27Å
36V98.4Very high95.6Very high8 Ų851.9 Ų51.95%0.04828%0.283CS..  trans-67.6119.1176179.90000109.2V39 F46 Q47 P48 E49 D50 V52V36-V39 HydrophobicContact CG1-CG1 3.53Å; V36-F46 HydrophobicContact CG2-CB 4.29Å; V36-Q47 WeakPolarHBondContact CB-O 3.43Å; V36-Q47 WeakPolarHBondContact CG1-O 3.49Å; V36-P48 CarbonylContact O-C 3.58Å; V36-P48 WeakPolarHBondContact O-CA 3.39Å; V36-E49 PolarHBondContact O-N 2.91Å; V36-D50 HydrophobicContact CB-CB 4.39Å; V36-D50 HydrophobicContact CG2-CB 4.06Å; V36-D50 PolarHBondContact N-O 3.29Å; V36-V52 HydrophobicContact CG2-CB 4.5Å; V36-V52 HydrophobicContact CG2-CG1 3.75Å; V36-V52 HydrophobicContact CG2-CG2 3.9Å
37L98Very high96.1Very high81 Ų8155 Ų5542%0.42430%0.296SS..  trans-86.8-42.6175.3-69.6178.9000111.6K2 V35 V68K2-L37 HydrophobicContact CB-CD1 3.87Å; K2-L37 HydrophobicContact CB-CD2 3.92Å; K2-L37 HydrophobicContact CB-CG 3.79Å; V35-L37 PolarHBondContact O-N 2.64Å; L37-V68 HydrophobicContact CD1-CG1 4.13Å; L37-V68 HydrophobicContact CD1-CG2 3.91Å
38Q97.6Very high96.6Very high164 Ų16456.9 Ų56.977%0.76631%0.309SS*.  trans-152.3153.5-176.9-175.9174.2-10.200108.3
39V98.1Very high96.9Very high48 Ų4862.1 Ų62.129%0.29133%0.331SS..  trans-118.4146.3176.2-62.10000110.8V36 V43V36-V39 HydrophobicContact CG1-CG1 3.53Å; V39-V43 HydrophobicContact CB-CB 3.98Å; V39-V43 HydrophobicContact CB-CG1 3.93Å; V39-V43 HydrophobicContact CB-CG2 4.36Å; V39-V43 HydrophobicContact CG1-CG1 4.01Å
40G97.1Very high97.1Very high37 Ų3763.3 Ų63.338%0.38134%0.337SS..  trans-72.9163.8173.100000111.9K42 V43G40-K42 PolarHBondContact O-N 3.43Å; G40-K42 VanDerWaalsContact O-N 3.08Å; G40-V43 WeakPolarHBondContact O-CB 3.4Å; G40-V43 PolarHBondContact O-N 2.8Å; G40-V43 VanDerWaalsContact O-N 3.13Å
41P96.6Very high97.3Very high142 Ų14265.2 Ų65.292%0.92235%0.346SS*.THydrogen-bonded Turntrans-66.5-15.6-173.126.8-35.9000114.8
42K96.5Very high97.5Very high185 Ų18565.2 Ų65.280%0.80435%0.346SS*.THydrogen-bonded Turntrans-103.6-4.3179.7-64.4-177.2-179.11780113.5G40G40-K42 PolarHBondContact O-N 3.43Å; G40-K42 VanDerWaalsContact O-N 3.08Å
43V96.8Very high97.5Very high45 Ų4565.2 Ų65.227%0.27335%0.346SS..  trans-71.7133.9179.9173.90000108.5V39 G40 F46 E73V39-V43 HydrophobicContact CB-CB 3.98Å; V39-V43 HydrophobicContact CB-CG1 3.93Å; V39-V43 HydrophobicContact CB-CG2 4.36Å; V39-V43 HydrophobicContact CG1-CG1 4.01Å; G40-V43 WeakPolarHBondContact O-CB 3.4Å; G40-V43 PolarHBondContact O-N 2.8Å; G40-V43 VanDerWaalsContact O-N 3.13Å; V43-F46 HydrophobicContact CG1-CB 4.33Å; V43-E73 HydrophobicContact CG1-CB 4.33Å; V43-E73 WeakPolarHBondContact CG1-OE2 3.45Å
44T95.8Very high97.5Very high105 Ų10565.2 Ų65.264%0.64435%0.346SS*.  trans-126.8-19.1-176.858.30000113.4E73T44-E73 PolarHBondContact N-OE1 2.66Å; T44-E73 PolarHBondContact N-OE2 2.72Å
45F95.2Very high97.3Very high104 Ų10465.4 Ų65.446%0.45635%0.347SS..SBendtrans-91.3-17.7-174-63.2-10.8000114.1E73 Y74F45-E73 WeakPolarHBondContact CB-OE2 3.48Å; F45-E73 HydrophobicContact CD2-CG 4.23Å; F45-E73 PolarHBondContact N-OE2 3.35Å; F45-Y74 AromaticContact CE2-CD1 3.94Å; F45-Y74 HydrophobicContact CE2-CD1 3.94Å; F45-Y74 AromaticContact CE2-CE1 3.73Å; F45-Y74 HydrophobicContact CE2-CE1 3.73Å; F45-Y74 HydrophobicContact CZ-CE1 4.09Å
46F97.6Very high97.1Very high23 Ų2364.8 Ų64.810%0.10134%0.343CS..  trans-135158.5-172.9-57.2-70.5000112.4V36 V43 D50 V52 E73 L76 Q78V36-F46 HydrophobicContact CG2-CB 4.29Å; V43-F46 HydrophobicContact CG1-CB 4.33Å; F46-D50 WeakPolarHBondContact CA-OD2 3.47Å; F46-D50 HydrophobicContact CD1-CB 4.49Å; F46-V52 HydrophobicContact CD1-CG1 3.6Å; F46-V52 HydrophobicContact CE1-CG1 3.55Å; F46-V52 HydrophobicContact CG-CG1 4.33Å; F46-V52 HydrophobicContact CZ-CG1 4.27Å; F46-E73 HydrophobicContact CD2-CB 3.81Å; F46-E73 HydrophobicContact CE2-CB 3.86Å; F46-L76 HydrophobicContact CE2-CB 3.84Å; F46-L76 HydrophobicContact CZ-CB 3.82Å; F46-Q78 HydrophobicContact CD1-CG 4.35Å; F46-Q78 HydrophobicContact CE1-CG 3.86Å
47Q97.8Very high96.7Very high123 Ų12365 Ų6558%0.57535%0.345SS*.  trans-134.1163.2172.759.8-1789.800110.2V36 D50V36-Q47 WeakPolarHBondContact CB-O 3.43Å; V36-Q47 WeakPolarHBondContact CG1-O 3.49Å; Q47-D50 WeakPolarHBondContact CG-OD1 3.25Å; Q47-D50 WeakPolarHBondContact CG-OD2 3.27Å; Q47-D50 PolarHBondContact N-OD2 3.21Å; Q47-D50 WeakPolarHBondContact O-CB 3.43Å; Q47-D50 PolarHBondContact O-N 3.41Å
48P98.3Very high96.3Very high64 Ų6462.1 Ų62.142%0.41633%0.33SS..THydrogen-bonded Turntrans-51.2146.7171.8-26.536.1000112.3V36 D50V36-P48 CarbonylContact O-C 3.58Å; V36-P48 WeakPolarHBondContact O-CA 3.39Å; P48-D50 PolarHBondContact O-N 3.5Å
49E97.7Very high95.8Very high145 Ų14558.4 Ų58.468%0.67832%0.315SS*.THydrogen-bonded Turntrans73.3-4.7-174.7-52.6-58.1130.200116.4V36 E51V36-E49 PolarHBondContact O-N 2.91Å; E49-E51 PolarHBondContact O-N 3.45Å
50D98.1Very high95.4Very high28 Ų2856.9 Ų56.915%0.1531%0.307CS..  trans-63.5132.5172.2-74.3-13.3000111V35 V36 F46 Q47 P48 V52V35-D50 CarbonylContact C-O 3.58Å; V35-D50 WeakPolarHBondContact CA-O 3.46Å; V36-D50 HydrophobicContact CB-CB 4.39Å; V36-D50 HydrophobicContact CG2-CB 4.06Å; V36-D50 PolarHBondContact N-O 3.29Å; F46-D50 WeakPolarHBondContact CA-OD2 3.47Å; F46-D50 HydrophobicContact CD1-CB 4.49Å; Q47-D50 WeakPolarHBondContact CG-OD1 3.25Å; Q47-D50 WeakPolarHBondContact CG-OD2 3.27Å; Q47-D50 PolarHBondContact N-OD2 3.21Å; Q47-D50 WeakPolarHBondContact O-CB 3.43Å; Q47-D50 PolarHBondContact O-N 3.41Å; P48-D50 PolarHBondContact O-N 3.5Å; D50-V52 HydrophobicContact CB-CG1 4.35Å
51E98.1Very high95Very high52 Ų5259.6 Ų59.624%0.24332%0.318CS..EExtended strand (participates in β ladder)trans-81.7126.5169.6-60.7-147.811600110K4 G34 V35 E49 Q78 K79K4-E51 IonicContact NZ-OE1 3.1Å; K4-E51 PolarHBondContact NZ-OE1 3.43Å; G34-E51 WeakPolarHBondContact O-CA 3.26Å; V35-E51 HydrophobicContact CG2-CG 4.27Å; E49-E51 PolarHBondContact O-N 3.45Å; E51-Q78 CarbonylContact O-C 3.48Å; E51-Q78 WeakPolarHBondContact O-CA 3.47Å; E51-K79 HydrophobicContact CB-CB 4.23Å; E51-K79 PolarHBondContact O-N 3.43Å; E51-K79 VanDerWaalsContact OE2-CE 3.25Å; E51-K79 WeakPolarHBondContact OE2-CE 3.26Å; E51-K79 IonicContact OE2-NZ 2.52Å; E51-K79 PolarHBondContact OE2-NZ 2.91Å
52V98.3Very high94.7Very high0 Ų055.6 Ų55.60%029%0.292CS..EExtended strand (participates in β ladder)trans-133.8154.9-172.7-65.20000112.1M1 A33 G34 V36 F46 D50 L76 V77M1-V52 HydrophobicContact SD-CG2 3.66Å; A33-V52 WeakPolarHBondContact CA-O 3.31Å; G34-V52 PolarHBondContact N-O 2.94Å; G34-V52 PolarHBondContact O-N 3.13Å; V36-V52 HydrophobicContact CG2-CB 4.5Å; V36-V52 HydrophobicContact CG2-CG1 3.75Å; V36-V52 HydrophobicContact CG2-CG2 3.9Å; F46-V52 HydrophobicContact CD1-CG1 3.6Å; F46-V52 HydrophobicContact CE1-CG1 3.55Å; F46-V52 HydrophobicContact CG-CG1 4.33Å; F46-V52 HydrophobicContact CZ-CG1 4.27Å; D50-V52 HydrophobicContact CB-CG1 4.35Å; V52-L76 HydrophobicContact CB-CB 4.49Å; V52-L76 HydrophobicContact CB-CD2 4.48Å; V52-L76 HydrophobicContact CG2-CD1 4.23Å; V52-L76 HydrophobicContact CG2-CD2 4.4Å; V52-V77 VanDerWaalsContact CA-O 3.31Å; V52-V77 WeakPolarHBondContact CA-O 3.3Å
53V98.1Very high94.5Very high0 Ų048.3 Ų48.30%027%0.265CS..EExtended strand (participates in β ladder)trans-141.4147174.664.80000109.8V32 A33 L76 V77 K79 A88 L92 V273V32-V53 CarbonylContact O-C 3.53Å; V32-V53 VanDerWaalsContact O-CA 3.28Å; V32-V53 WeakPolarHBondContact O-CA 3.28Å; V32-V53 VanDerWaalsContact O-CG2 3.3Å; V32-V53 WeakPolarHBondContact O-CG2 3.42Å; A33-V53 HydrophobicContact CB-CB 4.36Å; A33-V53 HydrophobicContact CB-CG2 4.04Å; V53-L76 WeakPolarHBondContact O-CA 3.4Å; V53-V77 HydrophobicContact CG1-CG2 3.81Å; V53-V77 PolarHBondContact N-O 2.61Å; V53-V77 PolarHBondContact O-N 3.5Å; V53-K79 HydrophobicContact CB-CB 4.33Å; V53-K79 HydrophobicContact CG1-CB 4.21Å; V53-A88 HydrophobicContact CB-CB 4.3Å; V53-A88 HydrophobicContact CG2-CB 3.71Å; V53-L92 HydrophobicContact CG2-CD2 3.62Å; V53-V273 HydrophobicContact CG1-CG1 4.34Å; V53-V273 HydrophobicContact CG1-CG2 3.59Å
54G96.6Very high94.4Very high0 Ų046.2 Ų46.20%025%0.252CS..EExtended strand (participates in β ladder)trans-167.8179.2175.100000113.9V32 Y75 L92V32-G54 PolarHBondContact N-O 2.91Å; V32-G54 PolarHBondContact O-N 2.9Å; G54-Y75 VanDerWaalsContact CA-O 3.24Å; G54-Y75 WeakPolarHBondContact CA-O 3.34Å; G54-L92 VanDerWaalsContact C-CD2 3.46Å
55V95.3Very high94.3Very high5 Ų543 Ų433%0.0323%0.231CC..EExtended strand (participates in β ladder)trans-115.3125170.9-1710000108.3R30 E31 L92 I96 T256R30-V55 HydrophobicContact CB-CG1 4.23Å; R30-V55 CarbonylContact O-C 3.51Å; R30-V55 WeakPolarHBondContact O-CA 3.11Å; E31-V55 HydrophobicContact CG-CG1 4.44Å; E31-V55 HydrophobicContact CG-CG2 4.18Å; V55-L92 HydrophobicContact CG2-CB 4.45Å; V55-L92 HydrophobicContact CG2-CD2 3.74Å; V55-L92 HydrophobicContact CG2-CG 4.07Å; V55-I96 HydrophobicContact CG2-CD1 3.75Å; V55-T256 HydrophobicContact CB-CG2 4.33Å; V55-T256 HydrophobicContact CG1-CG2 4.02Å
56L93.4Very high94.3Very high2 Ų239.8 Ų39.81%0.0122%0.221CC..  trans-62.6139.9176.1-62.3178.9000110.5R30 V32 I69 I71R30-L56 HydrophobicContact CB-CB 3.96Å; R30-L56 HydrophobicContact CG-CB 4.08Å; R30-L56 WeakPolarHBondContact O-CG 3.27Å; R30-L56 PolarHBondContact O-N 2.92Å; V32-L56 HydrophobicContact CG1-CD1 4.35Å; V32-L56 HydrophobicContact CG1-CG 4.44Å; V32-L56 HydrophobicContact CG2-CD2 4.3Å; V32-L56 HydrophobicContact CG2-CG 4.41Å; L56-I69 HydrophobicContact CD1-CD1 3.57Å; L56-I69 HydrophobicContact CD2-CD1 3.85Å; L56-I69 HydrophobicContact CG-CD1 4.37Å; L56-I71 HydrophobicContact CD2-CD1 3.45Å; L56-I71 VanDerWaalsContact CD2-CD1 3.45Å; L56-I71 HydrophobicContact CD2-CG1 3.62Å; L56-I71 HydrophobicContact CD2-CG2 4.16Å
57P90.8Very high94.1Very high13 Ų1345.6 Ų45.68%0.08425%0.248CC..  trans-53.1151.9172.5-26.835.8000112.2D59 S60 Y75P57-D59 WeakPolarHBondContact CB-OD1 3.33Å; P57-D59 PolarHBondContact O-N 2.99Å; P57-S60 WeakPolarHBondContact O-CB 3.46Å; P57-S60 PolarHBondContact O-N 3.17Å; P57-Y75 HydrophobicContact CB-CE1 4.46Å; P57-Y75 HydrophobicContact CG-CD1 3.85Å; P57-Y75 HydrophobicContact CG-CD2 3.61Å; P57-Y75 HydrophobicContact CG-CE1 3.63Å; P57-Y75 HydrophobicContact CG-CE2 3.36Å; P57-Y75 HydrophobicContact CG-CG 3.85Å
58L88.9Confident94.1Very high19 Ų1943.5 Ų43.510%0.09924%0.244CC..THydrogen-bonded Turntrans-62.1-32.2179.8-172.867000111.6L15 I16 V19 I21 S60 E253 T256 T257L15-L58 HydrophobicContact CD2-CD2 4.34Å; I16-L58 HydrophobicContact CG1-CD1 4.18Å; I16-L58 HydrophobicContact CG1-CD2 4.5Å; I16-L58 HydrophobicContact CG1-CG 4.49Å; V19-L58 HydrophobicContact CG2-CD2 4.14Å; I21-L58 HydrophobicContact CD1-CB 4.47Å; I21-L58 HydrophobicContact CD1-CD2 4.16Å; I21-L58 HydrophobicContact CD1-CG 3.96Å; L58-S60 VanDerWaalsContact C-N 3.34Å; L58-E253 HydrophobicContact CD1-CG 4.5Å; L58-T256 PolarHBondContact N-O 2.76Å; L58-T256 VanDerWaalsContact N-O 3.1Å; L58-T257 HydrophobicContact CB-CG2 3.89Å; L58-T257 HydrophobicContact CD2-CG2 3.4Å; L58-T257 HydrophobicContact CG-CG2 4.28Å
59D86.9Confident94Very high87 Ų8740.7 Ų40.747%0.46523%0.225SC..THydrogen-bonded Turntrans-89.99.5177.269.8-28.4000113.6I21 R23 P57I21-D59 HydrophobicContact CD1-CB 3.91Å; I21-D59 HydrophobicContact CG1-CB 4.28Å; R23-D59 PolarHBondContact NH1-O 3.47Å; R23-D59 PolarHBondContact NH2-O 2.87Å; P57-D59 WeakPolarHBondContact CB-OD1 3.33Å; P57-D59 PolarHBondContact O-N 2.99Å
60S89.6Confident93.9Very high15 Ų1540.7 Ų40.711%0.10523%0.23CC..  trans-55.1129175.3176.10000110.8R23 P27 P57 L58 C62R23-S60 PolarHBondContact NH1-O 2.92Å; P27-S60 WeakPolarHBondContact CG-O 3.24Å; P57-S60 WeakPolarHBondContact O-CB 3.46Å; P57-S60 PolarHBondContact O-N 3.17Å; L58-S60 VanDerWaalsContact C-N 3.34Å; S60-C62 VanDerWaalsContact C-N 3.26Å; S60-C62 PolarHBondContact OG-N 2.91Å; S60-C62 PolarHBondContact OG-O 2.94Å; S60-C62 VanDerWaalsContact OG-O 3.05Å
61P87.8Confident93.7Very high95 Ų9541.1 Ų41.162%0.61723%0.232SC*.SBendtrans-76.5-13.6176.332-34.7000113.3P27P27-P61 WeakPolarHBondContact CG-O 3.37Å
62C90.6Very high93.5Very high57 Ų5742.5 Ų42.539%0.38524%0.241SC..SBendtrans-110.5144.1-174.6-610000111.4P27 S60 I69P27-C62 WeakPolarHBondContact CB-O 3.36Å; S60-C62 VanDerWaalsContact C-N 3.26Å; S60-C62 PolarHBondContact OG-N 2.91Å; S60-C62 PolarHBondContact OG-O 2.94Å; S60-C62 VanDerWaalsContact OG-O 3.05Å; C62-I69 HydrophobicContact CB-CD1 3.82Å; C62-I69 HydrophobicContact CB-CG1 4Å
63S93.3Very high93.3Very high33 Ų3343 Ų4323%0.23124%0.243CC..  trans-85.6140.2172.7171.20000109.3V28 L65 C66V28-S63 WeakPolarHBondContact O-CA 3.18Å; V28-S63 PolarHBondContact O-OG 2.89Å; S63-L65 PolarHBondContact O-N 2.97Å; S63-L65 WeakPolarHBondContact OG-CB 3.35Å; S63-L65 PolarHBondContact OG-N 3.32Å; S63-L65 VanDerWaalsContact OG-N 3.1Å; S63-C66 PolarHBondContact O-SG 3.02Å
64G94.1Very high93.1Very high0 Ų047.8 Ų47.80%026%0.262CS..SBendtrans-70.2-11.9171.700000113.3V28 G29 C66V28-G64 PolarHBondContact O-N 3.29Å; G29-G64 WeakPolarHBondContact O-CA 3.4Å; G29-G64 PolarHBondContact O-N 3.5Å; G64-C66 PolarHBondContact O-N 3.05Å
65L94.4Very high93Very high38 Ų3849.8 Ų49.820%0.19927%0.27CS..SBendtrans-77.461.4170.2-61.2178.6000111.4C6 L8 V28 S63 A294 V311C6-L65 HydrophobicContact CB-CD2 3.94Å; L8-L65 HydrophobicContact CD2-CD1 4.04Å; L8-L65 HydrophobicContact CD2-CD2 4.03Å; L8-L65 HydrophobicContact CD2-CG 4.21Å; V28-L65 HydrophobicContact CG2-CD1 3.56Å; V28-L65 HydrophobicContact CG2-CG 4.32Å; S63-L65 PolarHBondContact O-N 2.97Å; S63-L65 WeakPolarHBondContact OG-CB 3.35Å; S63-L65 PolarHBondContact OG-N 3.32Å; S63-L65 VanDerWaalsContact OG-N 3.1Å; L65-A294 HydrophobicContact CD1-CB 3.99Å; L65-A294 HydrophobicContact CD2-CB 4.36Å; L65-V311 HydrophobicContact CD2-CB 3.71Å; L65-V311 HydrophobicContact CD2-CG1 3.92Å; L65-V311 HydrophobicContact CD2-CG2 3.72Å
66C93.8Very high93Very high36 Ų3650.1 Ų50.124%0.24327%0.271CS..SBendtrans-147158.5175.662.20000110.5V3 S63 G64 V68V3-C66 WeakPolarHBondContact CB-O 3.34Å; V3-C66 VanDerWaalsContact CG2-O 3.31Å; V3-C66 WeakPolarHBondContact CG2-O 3.39Å; S63-C66 PolarHBondContact O-SG 3.02Å; G64-C66 PolarHBondContact O-N 3.05Å; C66-V68 VanDerWaalsContact C-N 3.33Å; C66-V68 PolarHBondContact O-N 2.73Å; C66-V68 PolarHBondContact SG-O 2.85Å
67E94.3Very high93.2Very high145 Ų14550.6 Ų50.668%0.67827%0.274SS*.SBendtrans-67.3-36.2179.4-63.1-175.8173.100112.1K2 V3K2-E67 WeakPolarHBondContact CA-O 3.34Å; V3-E67 PolarHBondContact N-O 2.86Å
68V96.7Very high93.5Very high80 Ų8055.9 Ų55.949%0.48530%0.298SS..BIsolated β-bridgetrans-139.5133-176.8-176.80000110M1 L37 C66M1-V68 WeakPolarHBondContact O-CA 3.38Å; L37-V68 HydrophobicContact CD1-CG1 4.13Å; L37-V68 HydrophobicContact CD1-CG2 3.91Å; C66-V68 VanDerWaalsContact C-N 3.33Å; C66-V68 PolarHBondContact O-N 2.73Å; C66-V68 PolarHBondContact SG-O 2.85Å
69I96.3Very high93.9Very high4 Ų455.5 Ų55.52%0.02130%0.295CS..  trans-135.7144.2180-170.3164.7000111.8M1 V3 L56 C62 I71M1-I69 HydrophobicContact CE-CG2 4.35Å; M1-I69 HydrophobicContact CG-CG2 3.64Å; M1-I69 PolarHBondContact N-O 2.8Å; M1-I69 PolarHBondContact O-N 3.48Å; M1-I69 HydrophobicContact SD-CG2 4.46Å; V3-I69 HydrophobicContact CG2-CB 4.26Å; V3-I69 HydrophobicContact CG2-CG2 3.49Å; V3-I69 VanDerWaalsContact CG2-CG2 3.49Å; L56-I69 HydrophobicContact CD1-CD1 3.57Å; L56-I69 HydrophobicContact CD2-CD1 3.85Å; L56-I69 HydrophobicContact CG-CD1 4.37Å; C62-I69 HydrophobicContact CB-CD1 3.82Å; C62-I69 HydrophobicContact CB-CG1 4Å; I69-I71 HydrophobicContact CB-CG1 4.48Å; I69-I71 HydrophobicContact CD1-CD1 4.44Å; I69-I71 HydrophobicContact CD1-CG1 4.29Å; I69-I71 HydrophobicContact CG1-CD1 4.43Å; I69-I71 HydrophobicContact CG1-CG1 3.96Å; I69-I71 HydrophobicContact CG2-CD1 3.66Å; I69-I71 HydrophobicContact CG2-CG1 3.89Å
70D95.5Very high94.4Very high145 Ų14553.1 Ų53.178%0.77528%0.284SS*.  trans-93128.1170-67.2-28.4000110.1
71I94.5Very high94.5Very high38 Ų3861.1 Ų61.120%0.19532%0.32CS..  trans-140.8138.5-177.3-50.8175.2000108M1 V32 L56 I69 L76M1-I71 HydrophobicContact CE-CD1 4.26Å; M1-I71 HydrophobicContact CG-CD1 4.21Å; M1-I71 HydrophobicContact SD-CD1 3.71Å; V32-I71 HydrophobicContact CG2-CD1 3.6Å; L56-I71 HydrophobicContact CD2-CD1 3.45Å; L56-I71 VanDerWaalsContact CD2-CD1 3.45Å; L56-I71 HydrophobicContact CD2-CG1 3.62Å; L56-I71 HydrophobicContact CD2-CG2 4.16Å; I69-I71 HydrophobicContact CB-CG1 4.48Å; I69-I71 HydrophobicContact CD1-CD1 4.44Å; I69-I71 HydrophobicContact CD1-CG1 4.29Å; I69-I71 HydrophobicContact CG1-CD1 4.43Å; I69-I71 HydrophobicContact CG1-CG1 3.96Å; I69-I71 HydrophobicContact CG2-CD1 3.66Å; I69-I71 HydrophobicContact CG2-CG1 3.89Å; I71-L76 HydrophobicContact CB-CD1 4.17Å; I71-L76 HydrophobicContact CB-CG 4.48Å; I71-L76 HydrophobicContact CD1-CD2 4.2Å; I71-L76 HydrophobicContact CG2-CD1 4.21Å; I71-L76 HydrophobicContact CG2-CD2 4.26Å; I71-L76 HydrophobicContact CG2-CG 4Å
72D94.1Very high94.7Very high80 Ų8065.8 Ų65.843%0.42833%0.331SS..  trans-66.2139.3173-168.2-54.8000110.6Y74 Y75D72-Y74 PolarHBondContact O-N 3.01Å; D72-Y74 WeakPolarHBondContact OD1-CD2 3.44Å; D72-Y74 PolarHBondContact OD1-N 3.19Å; D72-Y75 HydrophobicContact CB-CD2 3.82Å; D72-Y75 HydrophobicContact CB-CE2 4.01Å; D72-Y75 PolarHBondContact O-N 3.48Å
73E94.4Very high94.8Very high11 Ų1163.5 Ų63.55%0.05132%0.315CS..G310 helixtrans-56.8-25.1-179.168.6-178.415500112.7V43 T44 F45 F46 Y75 L76V43-E73 HydrophobicContact CG1-CB 4.33Å; V43-E73 WeakPolarHBondContact CG1-OE2 3.45Å; T44-E73 PolarHBondContact N-OE1 2.66Å; T44-E73 PolarHBondContact N-OE2 2.72Å; F45-E73 WeakPolarHBondContact CB-OE2 3.48Å; F45-E73 HydrophobicContact CD2-CG 4.23Å; F45-E73 PolarHBondContact N-OE2 3.35Å; F46-E73 HydrophobicContact CD2-CB 3.81Å; F46-E73 HydrophobicContact CE2-CB 3.86Å; E73-Y75 PolarHBondContact O-N 3.37Å; E73-L76 PolarHBondContact O-N 3.5Å
74Y93.3Very high94.9Very high100 Ų10064.9 Ų64.939%0.39232%0.324SS..G310 helixtrans-72.9-9.3179.2-58.7-54.8000114.5F45 D72 Q262 L266F45-Y74 AromaticContact CE2-CD1 3.94Å; F45-Y74 HydrophobicContact CE2-CD1 3.94Å; F45-Y74 AromaticContact CE2-CE1 3.73Å; F45-Y74 HydrophobicContact CE2-CE1 3.73Å; F45-Y74 HydrophobicContact CZ-CE1 4.09Å; D72-Y74 PolarHBondContact O-N 3.01Å; D72-Y74 WeakPolarHBondContact OD1-CD2 3.44Å; D72-Y74 PolarHBondContact OD1-N 3.19Å; Y74-Q262 HydrophobicContact CG-CG 4.39Å; Y74-Q262 PolarHBondContact O-NE2 3.22Å; Y74-L266 HydrophobicContact CD1-CD1 4.28Å; Y74-L266 WeakPolarHBondContact O-CD2 3.47Å; Y74-L266 WeakPolarHBondContact O-CG 3.45Å
75Y94Very high95Very high43 Ų4365.7 Ų65.717%0.16933%0.33CS..G310 helixtrans-102.83.3175-59.3-70.2000113.9G54 P57 D72 E73 Y265G54-Y75 VanDerWaalsContact CA-O 3.24Å; G54-Y75 WeakPolarHBondContact CA-O 3.34Å; P57-Y75 HydrophobicContact CB-CE1 4.46Å; P57-Y75 HydrophobicContact CG-CD1 3.85Å; P57-Y75 HydrophobicContact CG-CD2 3.61Å; P57-Y75 HydrophobicContact CG-CE1 3.63Å; P57-Y75 HydrophobicContact CG-CE2 3.36Å; P57-Y75 HydrophobicContact CG-CG 3.85Å; D72-Y75 HydrophobicContact CB-CD2 3.82Å; D72-Y75 HydrophobicContact CB-CE2 4.01Å; D72-Y75 PolarHBondContact O-N 3.48Å; E73-Y75 PolarHBondContact O-N 3.37Å; Y75-Y265 AromaticContact CD1-CE1 3.98Å; Y75-Y265 HydrophobicContact CD1-CE1 3.98Å
76L96.4Very high95Very high12 Ų1265.7 Ų65.76%0.06333%0.33CS..EExtended strand (participates in β ladder)trans-118.9150.5-175.2-64.4173.6000111.2M1 F46 V52 V53 I71 E73 L266M1-L76 HydrophobicContact SD-CD1 4.35Å; M1-L76 HydrophobicContact SD-CD2 4.15Å; F46-L76 HydrophobicContact CE2-CB 3.84Å; F46-L76 HydrophobicContact CZ-CB 3.82Å; V52-L76 HydrophobicContact CB-CB 4.49Å; V52-L76 HydrophobicContact CB-CD2 4.48Å; V52-L76 HydrophobicContact CG2-CD1 4.23Å; V52-L76 HydrophobicContact CG2-CD2 4.4Å; V53-L76 WeakPolarHBondContact O-CA 3.4Å; I71-L76 HydrophobicContact CB-CD1 4.17Å; I71-L76 HydrophobicContact CB-CG 4.48Å; I71-L76 HydrophobicContact CD1-CD2 4.2Å; I71-L76 HydrophobicContact CG2-CD1 4.21Å; I71-L76 HydrophobicContact CG2-CD2 4.26Å; I71-L76 HydrophobicContact CG2-CG 4Å; E73-L76 PolarHBondContact O-N 3.5Å; L76-L266 WeakPolarHBondContact O-CD2 3.42Å
77V97.8Very high95Very high11 Ų1164.8 Ų64.87%0.06732%0.324CS..EExtended strand (participates in β ladder)trans-130.1160.2163.2-66.10000109.4V52 V53 K79 L266 L269 K270 V273V52-V77 VanDerWaalsContact CA-O 3.31Å; V52-V77 WeakPolarHBondContact CA-O 3.3Å; V53-V77 HydrophobicContact CG1-CG2 3.81Å; V53-V77 PolarHBondContact N-O 2.61Å; V53-V77 PolarHBondContact O-N 3.5Å; V77-K79 PolarHBondContact O-N 2.9Å; V77-L266 HydrophobicContact CG1-CD2 4.07Å; V77-L269 HydrophobicContact CB-CD2 4.34Å; V77-L269 HydrophobicContact CB-CG 4.35Å; V77-L269 HydrophobicContact CG1-CB 4.14Å; V77-L269 HydrophobicContact CG1-CD2 3.71Å; V77-L269 HydrophobicContact CG1-CG 3.8Å; V77-L269 HydrophobicContact CG2-CD1 4.5Å; V77-L269 HydrophobicContact CG2-CD2 4Å; V77-L269 HydrophobicContact CG2-CG 3.68Å; V77-K270 HydrophobicContact CG1-CB 4.03Å; V77-V273 HydrophobicContact CG2-CB 4.35Å; V77-V273 HydrophobicContact CG2-CG2 3.86Å
78Q97.8Very high95Very high125 Ų12557.9 Ų57.958%0.58429%0.291SS*.EExtended strand (participates in β ladder)trans-62.3133.9172.6-67.9-175.8-9.600110.2F46 E51 P80F46-Q78 HydrophobicContact CD1-CG 4.35Å; F46-Q78 HydrophobicContact CE1-CG 3.86Å; E51-Q78 CarbonylContact O-C 3.48Å; E51-Q78 WeakPolarHBondContact O-CA 3.47Å; Q78-P80 WeakPolarHBondContact O-CD 3.3Å
79K97.3Very high94.9Very high10 Ų1054 Ų544%0.04327%0.268CS..PPolyproline II helixtrans-91.2117.2171.9-172.2-164.264.856.40108.3E51 V53 V77 L83 A88E51-K79 HydrophobicContact CB-CB 4.23Å; E51-K79 PolarHBondContact O-N 3.43Å; E51-K79 VanDerWaalsContact OE2-CE 3.25Å; E51-K79 WeakPolarHBondContact OE2-CE 3.26Å; E51-K79 IonicContact OE2-NZ 2.52Å; E51-K79 PolarHBondContact OE2-NZ 2.91Å; V53-K79 HydrophobicContact CB-CB 4.33Å; V53-K79 HydrophobicContact CG1-CB 4.21Å; V77-K79 PolarHBondContact O-N 2.9Å; K79-L83 WeakPolarHBondContact CD-O 3.36Å; K79-L83 WeakPolarHBondContact CE-O 3.35Å; K79-L83 HydrophobicContact CG-CB 4.33Å; K79-L83 HydrophobicContact CG-CD2 4.26Å; K79-L83 HydrophobicContact CG-CG 4.47Å; K79-L83 PolarHBondContact NZ-O 2.91Å; K79-A88 HydrophobicContact CD-CB 4.19Å; K79-A88 HydrophobicContact CG-CB 4.36Å
80P96.1Very high94.7Very high37 Ų3754.5 Ų54.524%0.2427%0.274CS..PPolyproline II helixtrans-54.4142.7173.7-27.936.5000111.9Q78 K82 L83 V273 S277Q78-P80 WeakPolarHBondContact O-CD 3.3Å; P80-K82 PolarHBondContact O-N 3.4Å; P80-L83 HydrophobicContact CB-CB 4.49Å; P80-L83 PolarHBondContact O-N 3.11Å; P80-V273 HydrophobicContact CG-CG1 3.97Å; P80-S277 WeakPolarHBondContact CB-OG 3.29Å
81E91.4Very high94.6Very high184 Ų18447.6 Ų47.686%0.8624%0.237SC*.THydrogen-bonded Turntrans-56.6-36.8-177.1-65.9-179.1168.800112.7L83E81-L83 PolarHBondContact O-N 3.36Å
82K91.8Very high94.6Very high192 Ų19245.8 Ų45.884%0.83523%0.228SC*.THydrogen-bonded Turntrans-71.6-18.3-179.2-64.1-176.7-178.6177.90113.6P80P80-K82 PolarHBondContact O-N 3.4Å
83L94.3Very high94.6Very high9 Ų943.6 Ų43.65%0.04721%0.214CC..SBendtrans-89.2121.5-179.1-176.663.6000109.4K79 P80 E81 C87 A88 V273 M276K79-L83 WeakPolarHBondContact CD-O 3.36Å; K79-L83 WeakPolarHBondContact CE-O 3.35Å; K79-L83 HydrophobicContact CG-CB 4.33Å; K79-L83 HydrophobicContact CG-CD2 4.26Å; K79-L83 HydrophobicContact CG-CG 4.47Å; K79-L83 PolarHBondContact NZ-O 2.91Å; P80-L83 HydrophobicContact CB-CB 4.49Å; P80-L83 PolarHBondContact O-N 3.11Å; E81-L83 PolarHBondContact O-N 3.36Å; L83-C87 HydrophobicContact CD1-CB 4.11Å; L83-A88 HydrophobicContact CD2-CB 3.83Å; L83-A88 HydrophobicContact CG-CB 4.12Å; L83-V273 HydrophobicContact CD2-CG1 4Å; L83-M276 HydrophobicContact CD1-CB 3.91Å; L83-M276 HydrophobicContact CD2-CB 4.15Å; L83-M276 HydrophobicContact CD2-CE 4.11Å
84S94.9Very high94.6Very high62 Ų6243.9 Ų43.943%0.43422%0.216SC..  trans-68.4145.1177.472.90000111.2L86 C87 A88S84-L86 PolarHBondContact O-N 3.19Å; S84-C87 PolarHBondContact O-N 2.88Å; S84-C87 WeakPolarHBondContact OG-CB 3.31Å; S84-C87 PolarHBondContact OG-N 2.95Å; S84-A88 WeakPolarHBondContact O-CB 3.41Å; S84-A88 PolarHBondContact O-N 3.42Å
85S95.4Very high94.7Very high17 Ų1739.1 Ų39.112%0.11920%0.197CC..Hα-helixtrans-59.9-36.4177.3-60.20000112.3A5 A33 A88 A89A5-S85 WeakPolarHBondContact CB-O 3.45Å; A33-S85 WeakPolarHBondContact CB-O 3.48Å; S85-A88 PolarHBondContact O-N 2.75Å; S85-A89 WeakPolarHBondContact O-CB 3.33Å; S85-A89 PolarHBondContact O-N 2.83Å
86L94.6Very high94.8Very high38 Ų3837.5 Ų37.520%0.19919%0.191CC..Hα-helixtrans-63.2-45.8176.5-66.3171000111.7A5 S84 G90 M285 A288 V310 Q312A5-L86 HydrophobicContact CB-CD2 3.85Å; A5-L86 HydrophobicContact CB-CG 4.43Å; S84-L86 PolarHBondContact O-N 3.19Å; L86-G90 PolarHBondContact O-N 3.33Å; L86-M285 HydrophobicContact CB-CE 3.64Å; L86-A288 HydrophobicContact CD1-CB 4Å; L86-A288 HydrophobicContact CD2-CB 3.97Å; L86-V310 HydrophobicContact CB-CG1 4.49Å; L86-V310 HydrophobicContact CD2-CB 4.48Å; L86-V310 HydrophobicContact CD2-CG1 3.74Å; L86-Q312 HydrophobicContact CD2-CB 4.01Å; L86-Q312 HydrophobicContact CD2-CG 4.3Å
87C93.8Very high94.8Very high17 Ų1737.2 Ų37.212%0.11519%0.19CC..Hα-helixtrans-63.7-45177.5179.40000111.4L83 S84 G90 A91 P283 M285L83-C87 HydrophobicContact CD1-CB 4.11Å; S84-C87 PolarHBondContact O-N 2.88Å; S84-C87 WeakPolarHBondContact OG-CB 3.31Å; S84-C87 PolarHBondContact OG-N 2.95Å; C87-G90 PolarHBondContact O-N 3.06Å; C87-A91 WeakPolarHBondContact O-CB 3.14Å; C87-A91 PolarHBondContact O-N 3.38Å; C87-A91 VanDerWaalsContact O-N 3.17Å; C87-P283 WeakPolarHBondContact SG-CG 3.33Å; C87-M285 WeakPolarHBondContact CA-SD 3.35Å; C87-M285 HydrophobicContact CB-CE 4.45Å; C87-M285 HydrophobicContact CB-SD 3.7Å
88A94.3Very high94.8Very high0 Ų036.8 Ų36.80%019%0.187CC..Hα-helixtrans-60.1-54.5178.500000111.2A33 V53 K79 L83 S84 S85 G90 A91 L92A33-A88 HydrophobicContact CB-CB 4.35Å; V53-A88 HydrophobicContact CB-CB 4.3Å; V53-A88 HydrophobicContact CG2-CB 3.71Å; K79-A88 HydrophobicContact CD-CB 4.19Å; K79-A88 HydrophobicContact CG-CB 4.36Å; L83-A88 HydrophobicContact CD2-CB 3.83Å; L83-A88 HydrophobicContact CG-CB 4.12Å; S84-A88 WeakPolarHBondContact O-CB 3.41Å; S84-A88 PolarHBondContact O-N 3.42Å; S85-A88 PolarHBondContact O-N 2.75Å; A88-G90 VanDerWaalsContact C-N 3.29Å; A88-G90 PolarHBondContact O-N 2.95Å; A88-A91 PolarHBondContact O-N 2.94Å; A88-L92 WeakPolarHBondContact O-CB 3.19Å; A88-L92 PolarHBondContact O-N 3.07Å; A88-L92 VanDerWaalsContact O-N 3.15Å
89A94.7Very high94.8Very high0 Ų032.3 Ų32.30%017%0.165CC..Hα-helixtrans-62.7-35.1178.900000112.6A5 E31 A33 S85 A91 V310A5-A89 HydrophobicContact CB-CB 3.98Å; E31-A89 WeakPolarHBondContact CB-O 3.37Å; A33-A89 HydrophobicContact CB-CB 4.2Å; S85-A89 WeakPolarHBondContact O-CB 3.33Å; S85-A89 PolarHBondContact O-N 2.83Å; A89-A91 VanDerWaalsContact C-N 3.35Å; A89-A91 PolarHBondContact O-N 3.49Å; A89-V310 HydrophobicContact CB-CG1 4.13Å
90G92.7Very high94.7Very high13 Ų1332 Ų3213%0.13417%0.165CC..Hα-helixtrans-75.4-12.2-179.300000115.8L86 C87 A88 K308L86-G90 PolarHBondContact O-N 3.33Å; C87-G90 PolarHBondContact O-N 3.06Å; A88-G90 VanDerWaalsContact C-N 3.29Å; A88-G90 PolarHBondContact O-N 2.95Å; G90-K308 VanDerWaalsContact C-NZ 3.31Å; G90-K308 WeakPolarHBondContact O-CD 3.36Å; G90-K308 WeakPolarHBondContact O-CE 3.41Å; G90-K308 PolarHBondContact O-NZ 2.89Å
91A93.7Very high94.8Very high1 Ų130.3 Ų30.31%0.00815%0.153CC..Hα-helixtrans-128.1-16.9-172.700000114.4C87 A88 A89 R93 D94 G95 M276 P283C87-A91 WeakPolarHBondContact O-CB 3.14Å; C87-A91 PolarHBondContact O-N 3.38Å; C87-A91 VanDerWaalsContact O-N 3.17Å; A88-A91 PolarHBondContact O-N 2.94Å; A89-A91 VanDerWaalsContact C-N 3.35Å; A89-A91 PolarHBondContact O-N 3.49Å; A91-R93 PolarHBondContact O-N 3.38Å; A91-D94 PolarHBondContact O-N 2.81Å; A91-G95 PolarHBondContact O-N 2.79Å; A91-M276 HydrophobicContact CB-SD 3.62Å; A91-P283 HydrophobicContact CB-CB 3.45Å; A91-P283 VanDerWaalsContact CB-CB 3.45Å; A91-P283 HydrophobicContact CB-CG 3.59Å
92L94.5Very high95.1Very high0 Ų021.5 Ų21.50%011%0.112CC..Hα-helixtrans-57.8-50.9-166.8-161.962000113.8V53 G54 V55 A88 D94 G95 I96 L269 I272 V273 M276V53-L92 HydrophobicContact CG2-CD2 3.62Å; G54-L92 VanDerWaalsContact C-CD2 3.46Å; V55-L92 HydrophobicContact CG2-CB 4.45Å; V55-L92 HydrophobicContact CG2-CD2 3.74Å; V55-L92 HydrophobicContact CG2-CG 4.07Å; A88-L92 WeakPolarHBondContact O-CB 3.19Å; A88-L92 PolarHBondContact O-N 3.07Å; A88-L92 VanDerWaalsContact O-N 3.15Å; L92-D94 PolarHBondContact O-N 3.4Å; L92-G95 PolarHBondContact O-N 3.31Å; L92-I96 HydrophobicContact CG-CD1 4.12Å; L92-I96 WeakPolarHBondContact O-CD1 3.47Å; L92-I96 WeakPolarHBondContact O-CG1 3.19Å; L92-I96 PolarHBondContact O-N 2.97Å; L92-L269 HydrophobicContact CD1-CD1 3.46Å; L92-L269 VanDerWaalsContact CD1-CD1 3.46Å; L92-L269 HydrophobicContact CD2-CD1 3.41Å; L92-L269 VanDerWaalsContact CD2-CD1 3.41Å; L92-L269 HydrophobicContact CG-CD1 3.51Å; L92-I272 HydrophobicContact CD1-CG2 4.26Å; L92-V273 HydrophobicContact CD1-CG2 3.59Å; L92-M276 HydrophobicContact CD1-CE 4.02Å
93R93.9Very high95.3Very high34 Ų3414.1 Ų14.113%0.1288%0.08CC..Hα-helixtrans-61.4-42.9-179.5-177.4173.9176.1-90.64.7112.2E31 A91 G95 I96 C97 P252 E253E31-R93 HydrophobicContact CG-CB 3.73Å; E31-R93 WeakPolarHBondContact OE1-CB 3.38Å; E31-R93 VanDerWaalsContact OE1-CD 3.3Å; E31-R93 WeakPolarHBondContact OE1-CD 3.49Å; A91-R93 PolarHBondContact O-N 3.38Å; R93-G95 VanDerWaalsContact C-N 3.35Å; R93-I96 PolarHBondContact O-N 3.09Å; R93-C97 WeakPolarHBondContact O-CB 3.49Å; R93-C97 PolarHBondContact O-N 3.18Å; R93-C97 PolarHBondContact O-SG 2.95Å; R93-P252 VanDerWaalsContact NH2-CB 3.29Å; R93-E253 IonicContact CZ-OE1 3.28Å; R93-E253 IonicContact NE-OE1 2.66Å; R93-E253 PolarHBondContact NE-OE1 2.88Å; R93-E253 IonicContact NH2-OE1 3.64Å; R93-E253 PolarHBondContact NH2-OE1 3.07Å
94D94.4Very high95.3Very high17 Ų1715.1 Ų15.19%0.0919%0.087CC..Hα-helixtrans-66.2-39.2178.8-63.3-52.1000111.5A91 L92 C97 A98 P122 M126 K308A91-D94 PolarHBondContact O-N 2.81Å; L92-D94 PolarHBondContact O-N 3.4Å; D94-C97 PolarHBondContact O-N 3.21Å; D94-A98 VanDerWaalsContact O-CB 3.3Å; D94-A98 WeakPolarHBondContact O-CB 3.4Å; D94-A98 PolarHBondContact O-N 3.03Å; D94-P122 WeakPolarHBondContact OD2-CB 3.3Å; D94-M126 HydrophobicContact CB-CG 3.92Å; D94-K308 WeakPolarHBondContact OD2-CD 3.27Å; D94-K308 IonicContact OD2-NZ 2.72Å; D94-K308 PolarHBondContact OD2-NZ 3.37Å
95G95.9Very high95.3Very high0 Ų014.4 Ų14.40%08%0.077CC..Hα-helixtrans-62.7-44.3173.800000112.6A91 L92 R93 C97 A98 Y99 I272A91-G95 PolarHBondContact O-N 2.79Å; L92-G95 PolarHBondContact O-N 3.31Å; R93-G95 VanDerWaalsContact C-N 3.35Å; G95-C97 VanDerWaalsContact C-N 3.35Å; G95-C97 PolarHBondContact O-N 3.09Å; G95-A98 PolarHBondContact O-N 3.22Å; G95-Y99 WeakPolarHBondContact O-CB 3.39Å; G95-Y99 PolarHBondContact O-N 3.02Å; G95-I272 WeakPolarHBondContact O-CD1 3.3Å
96I96.1Very high95.4Very high8 Ų813.6 Ų13.64%0.0417%0.071CC..Hα-helixtrans-62.1-43.7175-66.2156.4000110.6V55 L92 R93 Y99 T100 W255 Y265 I268 L269V55-I96 HydrophobicContact CG2-CD1 3.75Å; L92-I96 HydrophobicContact CG-CD1 4.12Å; L92-I96 WeakPolarHBondContact O-CD1 3.47Å; L92-I96 WeakPolarHBondContact O-CG1 3.19Å; L92-I96 PolarHBondContact O-N 2.97Å; R93-I96 PolarHBondContact O-N 3.09Å; I96-Y99 PolarHBondContact O-N 3.26Å; I96-T100 WeakPolarHBondContact O-CB 3.43Å; I96-T100 PolarHBondContact O-N 3.08Å; I96-T100 PolarHBondContact O-OG1 3.2Å; I96-W255 HydrophobicContact CG2-CG 4.43Å; I96-Y265 HydrophobicContact CD1-CE2 4.05Å; I96-I268 HydrophobicContact CB-CG2 4.47Å; I96-I268 HydrophobicContact CG1-CG2 4.28Å; I96-I268 HydrophobicContact CG2-CG2 4.32Å; I96-L269 HydrophobicContact CD1-CD1 3.85Å; I96-L269 HydrophobicContact CG1-CD1 4.49Å
97C95.4Very high95.5Very high7 Ų717.8 Ų17.85%0.0479%0.089CC..Hα-helixtrans-62.5-45.9177.4-67.80000111.2R93 D94 G95 Y99 T100 A101 F123R93-C97 WeakPolarHBondContact O-CB 3.49Å; R93-C97 PolarHBondContact O-N 3.18Å; R93-C97 PolarHBondContact O-SG 2.95Å; D94-C97 PolarHBondContact O-N 3.21Å; G95-C97 VanDerWaalsContact C-N 3.35Å; G95-C97 PolarHBondContact O-N 3.09Å; C97-Y99 PolarHBondContact O-N 2.81Å; C97-T100 WeakPolarHBondContact O-CB 3.43Å; C97-T100 PolarHBondContact O-N 3.49Å; C97-T100 VanDerWaalsContact O-N 3.16Å; C97-A101 WeakPolarHBondContact O-CB 3.35Å; C97-A101 PolarHBondContact O-N 2.77Å; C97-F123 HydrophobicContact CB-CD2 3.76Å; C97-F123 HydrophobicContact CB-CE2 3.76Å
98A97.3Very high95.6Very high1 Ų117.7 Ų17.71%0.0089%0.087CC..Hα-helixtrans-62.1-44.3178.400000111.5D94 G95 T100 A101 L102 F123 M126 C127D94-A98 VanDerWaalsContact O-CB 3.3Å; D94-A98 WeakPolarHBondContact O-CB 3.4Å; D94-A98 PolarHBondContact O-N 3.03Å; G95-A98 PolarHBondContact O-N 3.22Å; A98-T100 VanDerWaalsContact C-N 3.29Å; A98-T100 PolarHBondContact O-N 3.08Å; A98-A101 PolarHBondContact O-N 3.1Å; A98-L102 WeakPolarHBondContact O-CB 3.36Å; A98-L102 WeakPolarHBondContact O-CG 3.44Å; A98-L102 PolarHBondContact O-N 3.15Å; A98-F123 HydrophobicContact CB-CD2 4.41Å; A98-F123 HydrophobicContact CB-CE2 4.27Å; A98-M126 HydrophobicContact CB-CB 3.65Å; A98-C127 HydrophobicContact CB-CB 4.48Å; A98-C127 VanDerWaalsContact CB-SG 3.51Å
99Y97.4Very high95.8Very high32 Ų3219.8 Ų19.813%0.12511%0.105CC..Hα-helixtrans-59.1-43.6173.9-168.2-74000111.2G95 I96 C97 L102 H103 L130 I268 D271 I272G95-Y99 WeakPolarHBondContact O-CB 3.39Å; G95-Y99 PolarHBondContact O-N 3.02Å; I96-Y99 PolarHBondContact O-N 3.26Å; C97-Y99 PolarHBondContact O-N 2.81Å; Y99-L102 PolarHBondContact O-N 3.46Å; Y99-H103 HydrophobicContact CD1-CB 3.97Å; Y99-H103 AromaticContact CD1-CD2 3.97Å; Y99-H103 AromaticContact CD2-CD2 3.6Å; Y99-H103 HydrophobicContact CE1-CB 3.63Å; Y99-H103 AromaticContact CE1-CD2 3.94Å; Y99-H103 AromaticContact CE1-CG 3.99Å; Y99-H103 AromaticContact CE2-CD2 3.6Å; Y99-H103 AromaticContact CG-CD2 3.79Å; Y99-H103 AromaticContact CZ-CD2 3.77Å; Y99-H103 AromaticContact CZ-CG 3.96Å; Y99-H103 WeakPolarHBondContact O-CB 3.34Å; Y99-H103 PolarHBondContact O-N 3.45Å; Y99-L130 HydrophobicContact CD2-CD2 4.38Å; Y99-I268 HydrophobicContact CD1-CB 4.33Å; Y99-I268 HydrophobicContact CD1-CD1 3.82Å; Y99-I268 HydrophobicContact CD1-CG1 3.61Å; Y99-I268 HydrophobicContact CD1-CG2 3.85Å; Y99-I268 HydrophobicContact CD2-CG2 4.25Å; Y99-I268 HydrophobicContact CE1-CD1 3.99Å; Y99-I268 HydrophobicContact CE1-CG1 3.57Å; Y99-I268 HydrophobicContact CG-CG1 4.25Å; Y99-I268 HydrophobicContact CG-CG2 3.7Å; Y99-D271 WeakPolarHBondContact CE2-OD2 3.43Å; Y99-I272 HydrophobicContact CD2-CD1 4.39Å
100T96.3Very high95.9Very high4 Ų423.5 Ų23.53%0.02514%0.136CC..Iπ-helixtrans-65-46-179.6-55.10000111.1I96 C97 A98 T104 H105 L250 V254 W255I96-T100 WeakPolarHBondContact O-CB 3.43Å; I96-T100 PolarHBondContact O-N 3.08Å; I96-T100 PolarHBondContact O-OG1 3.2Å; C97-T100 WeakPolarHBondContact O-CB 3.43Å; C97-T100 PolarHBondContact O-N 3.49Å; C97-T100 VanDerWaalsContact O-N 3.16Å; A98-T100 VanDerWaalsContact C-N 3.29Å; A98-T100 PolarHBondContact O-N 3.08Å; T100-T104 HydrophobicContact CG2-CG2 4.47Å; T100-T104 WeakPolarHBondContact O-CA 3.41Å; T100-T104 WeakPolarHBondContact O-CB 3.5Å; T100-T104 PolarHBondContact O-N 2.91Å; T100-H105 PolarHBondContact O-CD2 3.27Å; T100-H105 PolarHBondContact O-N 2.82Å; T100-L250 HydrophobicContact CG2-CD1 3.89Å; T100-V254 HydrophobicContact CG2-CG1 4.42Å; T100-W255 HydrophobicContact CG2-CZ2 4.46Å; T100-W255 PolarHBondContact OG1-NE1 2.67Å
101A97.7Very high96Very high0 Ų026 Ų260%016%0.161CC..Iπ-helixtrans-58.2-52.2175.900000111.4C97 A98 A106 F123 V188 V224 L250C97-A101 WeakPolarHBondContact O-CB 3.35Å; C97-A101 PolarHBondContact O-N 2.77Å; A98-A101 PolarHBondContact O-N 3.1Å; A101-A106 WeakPolarHBondContact O-CB 3.43Å; A101-A106 PolarHBondContact O-N 3.35Å; A101-F123 HydrophobicContact CB-CZ 4.23Å; A101-V188 HydrophobicContact CB-CG1 4.47Å; A101-V188 HydrophobicContact CB-CG2 4.35Å; A101-V224 HydrophobicContact CB-CG1 4Å; A101-L250 HydrophobicContact CB-CD1 4.2Å; A101-L250 HydrophobicContact CB-CD2 4.07Å
102L98Very high96.2Very high0 Ų028.5 Ų28.50%017%0.173CC..Iπ-helixtrans-79.4-45.9-170.4-63.9177.2000113.2A98 Y99 A106 H107 M108 L114 C127 L130 A131 V188A98-L102 WeakPolarHBondContact O-CB 3.36Å; A98-L102 WeakPolarHBondContact O-CG 3.44Å; A98-L102 PolarHBondContact O-N 3.15Å; Y99-L102 PolarHBondContact O-N 3.46Å; L102-A106 CarbonylContact O-C 3.44Å; L102-H107 PolarHBondContact O-N 3.05Å; L102-H107 VanDerWaalsContact O-N 3.15Å; L102-M108 HydrophobicContact CB-CB 4.22Å; L102-M108 HydrophobicContact CB-CE 3.97Å; L102-M108 HydrophobicContact CB-SD 3.97Å; L102-M108 HydrophobicContact CD1-CE 4.12Å; L102-M108 HydrophobicContact CD1-SD 3.93Å; L102-M108 HydrophobicContact CD2-SD 3.97Å; L102-M108 HydrophobicContact CG-SD 4.17Å; L102-M108 WeakPolarHBondContact O-CB 3.34Å; L102-M108 PolarHBondContact O-N 3.21Å; L102-L114 HydrophobicContact CD2-CD1 4.05Å; L102-L114 HydrophobicContact CD2-CD2 3.7Å; L102-C127 HydrophobicContact CD1-CB 4.28Å; L102-L130 HydrophobicContact CD1-CB 4.16Å; L102-L130 HydrophobicContact CD1-CD2 4.18Å; L102-L130 HydrophobicContact CD1-CG 4.32Å; L102-A131 HydrophobicContact CD1-CB 4.19Å; L102-V188 HydrophobicContact CD2-CG2 3.95Å
103H96.1Very high96.4Very high36 Ų3629.5 Ų29.517%0.16718%0.179CC..Iπ-helixtrans-93.1-38.3-175.8-65.8-73.4000113.4Y99 H107 H134Y99-H103 HydrophobicContact CD1-CB 3.97Å; Y99-H103 AromaticContact CD1-CD2 3.97Å; Y99-H103 AromaticContact CD2-CD2 3.6Å; Y99-H103 HydrophobicContact CE1-CB 3.63Å; Y99-H103 AromaticContact CE1-CD2 3.94Å; Y99-H103 AromaticContact CE1-CG 3.99Å; Y99-H103 AromaticContact CE2-CD2 3.6Å; Y99-H103 AromaticContact CG-CD2 3.79Å; Y99-H103 AromaticContact CZ-CD2 3.77Å; Y99-H103 AromaticContact CZ-CG 3.96Å; Y99-H103 WeakPolarHBondContact O-CB 3.34Å; Y99-H103 PolarHBondContact O-N 3.45Å; H103-H107 PolarHBondContact O-ND1 3.07Å; H103-H134 AromaticContact CE1-CD2 3.78Å; H103-H134 AromaticContact CE1-CE1 3.74Å; H103-H134 AromaticContact CE1-NE2 3.5Å; H103-H134 PolarHBondContact CE1-NE2 3.34Å; H103-H134 AromaticContact NE2-CD2 3.76Å; H103-H134 AromaticContact NE2-NE2 3.48Å; H103-H134 PolarHBondContact NE2-NE2 2.92Å
104T93.9Very high96.6Very high30 Ų3027.9 Ų27.918%0.18417%0.173CC..Iπ-helixtrans-84.3-41.2-174.7-57.90000112.2T100 H107 R264T100-T104 HydrophobicContact CG2-CG2 4.47Å; T100-T104 WeakPolarHBondContact O-CA 3.41Å; T100-T104 WeakPolarHBondContact O-CB 3.5Å; T100-T104 PolarHBondContact O-N 2.91Å; T104-H107 PolarHBondContact O-CE1 3.27Å; T104-R264 PolarHBondContact OG1-NH2 3.01Å
105H95.7Very high96.8Very high47 Ų4727.1 Ų27.122%0.21817%0.168CC..Iπ-helixtrans-96.4-49.8-179.5-69.1-66.9000113.4T100 V224T100-H105 PolarHBondContact O-CD2 3.27Å; T100-H105 PolarHBondContact O-N 2.82Å; H105-V224 HydrophobicContact CB-CG1 4.34Å; H105-V224 HydrophobicContact CB-CG2 3.86Å
106A96.6Very high96.9Very high0 Ų027.1 Ų27.10%017%0.169CC..SBendtrans-88.7-7.3-172.500000114.7A101 L102 M108 I186 H222 V224A101-A106 WeakPolarHBondContact O-CB 3.43Å; A101-A106 PolarHBondContact O-N 3.35Å; L102-A106 CarbonylContact O-C 3.44Å; A106-M108 PolarHBondContact O-N 3.08Å; A106-M108 VanDerWaalsContact O-N 3.13Å; A106-I186 HydrophobicContact CB-CB 4.43Å; A106-I186 HydrophobicContact CB-CD1 3.83Å; A106-I186 HydrophobicContact CB-CG1 4.02Å; A106-I186 HydrophobicContact CB-CG2 3.51Å; A106-H222 HydrophobicContact CB-CB 4.4Å; A106-V224 HydrophobicContact CB-CG2 3.93Å
107H96.4Very high96.8Very high127 Ų12727 Ų2759%0.58817%0.168SC*.  trans45.445.7-177.5-60-57.1000113.3L102 H103 T104 A109L102-H107 PolarHBondContact O-N 3.05Å; L102-H107 VanDerWaalsContact O-N 3.15Å; H103-H107 PolarHBondContact O-ND1 3.07Å; T104-H107 PolarHBondContact O-CE1 3.27Å; H107-A109 PolarHBondContact O-N 3.06Å
108M97.5Very high96.7Very high14 Ų1426.8 Ų26.87%0.06917%0.166CC..  trans-53.8131.5-175-177.6-176.768.500112.3L102 A106 A131 H134 V136 I186L102-M108 HydrophobicContact CB-CB 4.22Å; L102-M108 HydrophobicContact CB-CE 3.97Å; L102-M108 HydrophobicContact CB-SD 3.97Å; L102-M108 HydrophobicContact CD1-CE 4.12Å; L102-M108 HydrophobicContact CD1-SD 3.93Å; L102-M108 HydrophobicContact CD2-SD 3.97Å; L102-M108 HydrophobicContact CG-SD 4.17Å; L102-M108 WeakPolarHBondContact O-CB 3.34Å; L102-M108 PolarHBondContact O-N 3.21Å; A106-M108 PolarHBondContact O-N 3.08Å; A106-M108 VanDerWaalsContact O-N 3.13Å; M108-A131 HydrophobicContact SD-CB 3.63Å; M108-H134 HydrophobicContact CE-CB 3.67Å; M108-V136 HydrophobicContact CG-CG2 3.52Å; M108-V136 HydrophobicContact SD-CB 4.4Å; M108-V136 HydrophobicContact SD-CG2 3.66Å; M108-I186 HydrophobicContact CB-CD1 3.86Å; M108-I186 HydrophobicContact CG-CD1 4.03Å
109A96.8Very high96.5Very high44 Ų4426.7 Ų26.736%0.36417%0.166SC..  trans-129.7155.817700000111.1H107 H112 V136H107-A109 PolarHBondContact O-N 3.06Å; A109-H112 PolarHBondContact N-ND1 3.18Å; A109-H112 WeakPolarHBondContact O-CB 3.43Å; A109-H112 PolarHBondContact O-N 3.39Å; A109-V136 WeakPolarHBondContact O-CG2 3.19Å
110A97.4Very high96.2Very high79 Ų7925.6 Ų25.665%0.65316%0.163SC*.THydrogen-bonded Turntrans-57.3139.8175.200000110.9H112 H134A110-H112 VanDerWaalsContact C-N 3.31Å; A110-H134 WeakPolarHBondContact CA-O 3.27Å; A110-H134 WeakPolarHBondContact CB-O 3.06Å
111G95.7Very high96Very high65 Ų6525.8 Ų25.867%0.6716%0.164SC*.THydrogen-bonded Turntrans86.4-10.9-176.100000115.1G135G111-G135 PolarHBondContact N-O 3.29Å
112H97.9Very high95.7Very high54 Ų5427.8 Ų27.825%0.2518%0.177CC..  trans-64.9159.7168.1-71.4-179.7000111.4A109 A110 V136 K137 D185A109-H112 PolarHBondContact N-ND1 3.18Å; A109-H112 WeakPolarHBondContact O-CB 3.43Å; A109-H112 PolarHBondContact O-N 3.39Å; A110-H112 VanDerWaalsContact C-N 3.31Å; H112-V136 HydrophobicContact CB-CG1 4.32Å; H112-V136 WeakPolarHBondContact O-CA 3.46Å; H112-V136 WeakPolarHBondContact O-CG1 3.49Å; H112-K137 PolarHBondContact O-N 2.98Å; H112-D185 VanDerWaalsContact CA-OD2 3.25Å; H112-D185 WeakPolarHBondContact CA-OD2 3.34Å; H112-D185 HydrophobicContact CB-CB 4.07Å
113T98.4Very high95.5Very high21 Ų2129.1 Ų29.113%0.12918%0.183CC..EExtended strand (participates in β ladder)trans-109.2129.8167.3-50.60000110.1K137 L139 T179 V184 D185 I186T113-K137 CarbonylContact C-O 3.46Å; T113-K137 WeakPolarHBondContact CA-O 3.25Å; T113-K137 HydrophobicContact CG2-CB 4.24Å; T113-K137 HydrophobicContact CG2-CD 4.36Å; T113-K137 HydrophobicContact CG2-CG 4.33Å; T113-K137 WeakPolarHBondContact CG2-O 3.44Å; T113-L139 HydrophobicContact CG2-CD1 3.45Å; T113-L139 VanDerWaalsContact CG2-CD1 3.45Å; T113-T179 HydrophobicContact CG2-CG2 4.02Å; T113-V184 HydrophobicContact CG2-CB 4.34Å; T113-V184 HydrophobicContact CG2-CG1 3.73Å; T113-D185 PolarHBondContact N-OD2 3.15Å; T113-D185 PolarHBondContact O-N 3.22Å; T113-I186 PolarHBondContact O-N 2.96Å; T113-I186 VanDerWaalsContact O-N 3.09Å
114L98.6Very high95.5Very high0 Ų027.4 Ų27.40%018%0.175CC..EExtended strand (participates in β ladder)trans-119.3132.8-177.5168.867.7000110.2L102 V116 A131 V136 K137 V138 L139 I186 V188L102-L114 HydrophobicContact CD2-CD1 4.05Å; L102-L114 HydrophobicContact CD2-CD2 3.7Å; L114-V116 HydrophobicContact CD1-CG2 4.14Å; L114-V116 HydrophobicContact CD2-CG2 3.51Å; L114-V116 HydrophobicContact CG-CG2 3.66Å; L114-A131 HydrophobicContact CD2-CB 3.36Å; L114-V136 HydrophobicContact CB-CG1 3.6Å; L114-K137 PolarHBondContact N-O 3.45Å; L114-V138 HydrophobicContact CD2-CG2 4.38Å; L114-V138 CarbonylContact O-C 3.58Å; L114-V138 WeakPolarHBondContact O-CA 3.43Å; L114-L139 PolarHBondContact O-N 2.75Å; L114-I186 CarbonylContact C-O 3.6Å; L114-I186 WeakPolarHBondContact CA-O 3.33Å; L114-I186 HydrophobicContact CD1-CB 3.63Å; L114-I186 HydrophobicContact CD1-CG2 3.43Å; L114-I186 VanDerWaalsContact CD1-CG2 3.43Å; L114-V188 HydrophobicContact CD1-CG2 3.9Å
115L98.3Very high95.5Very high0 Ų026.1 Ų26.10%017%0.167CC..EExtended strand (participates in β ladder)trans-102.4117.4163.6177.864.2000109.8M117 L139 T141 I162 L171 V175 V184 I186 V187 V188 V216L115-M117 HydrophobicContact CD2-SD 4.03Å; L115-M117 HydrophobicContact CG-SD 4.11Å; L115-L139 CarbonylContact C-O 3.59Å; L115-L139 WeakPolarHBondContact CA-O 3.47Å; L115-L139 HydrophobicContact CD1-CB 3.96Å; L115-T141 HydrophobicContact CD1-CG2 4.3Å; L115-I162 HydrophobicContact CD1-CD1 4.23Å; L115-L171 HydrophobicContact CD1-CD1 4.49Å; L115-L171 HydrophobicContact CD2-CD1 4.16Å; L115-L171 HydrophobicContact CD2-CD2 4.49Å; L115-V175 HydrophobicContact CD1-CG2 4.48Å; L115-V175 HydrophobicContact CD2-CG2 4.25Å; L115-V184 HydrophobicContact CB-CG1 4.28Å; L115-V184 HydrophobicContact CB-CG2 4.05Å; L115-I186 PolarHBondContact N-O 3.33Å; L115-V187 HydrophobicContact CB-CG2 4.26Å; L115-V187 HydrophobicContact CD2-CG1 4.42Å; L115-V187 HydrophobicContact CD2-CG2 4.37Å; L115-V187 WeakPolarHBondContact O-CA 3.39Å; L115-V188 PolarHBondContact O-N 3.01Å; L115-V216 HydrophobicContact CD2-CG2 4.03Å
116V97.6Very high95.5Very high1 Ų124.1 Ų24.11%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-104.8116172.8-175.40000109.8L114 C127 V128 V138 L139 T140 T141L114-V116 HydrophobicContact CD1-CG2 4.14Å; L114-V116 HydrophobicContact CD2-CG2 3.51Å; L114-V116 HydrophobicContact CG-CG2 3.66Å; V116-C127 HydrophobicContact CG1-CB 3.97Å; V116-C127 HydrophobicContact CG2-CB 3.98Å; V116-V128 HydrophobicContact CB-CG2 4.12Å; V116-V128 HydrophobicContact CG1-CG2 4.33Å; V116-V128 HydrophobicContact CG2-CG2 4.14Å; V116-V138 HydrophobicContact CG2-CG1 4.26Å; V116-L139 PolarHBondContact N-O 2.91Å; V116-T140 WeakPolarHBondContact O-CA 3.2Å; V116-T140 WeakPolarHBondContact O-CB 3.31Å; V116-T140 PolarHBondContact O-OG1 3.45Å; V116-T141 PolarHBondContact O-N 3.46Å; V116-T141 VanDerWaalsContact O-N 3.16Å
117M94.4Very high95.6Very high5 Ų524.1 Ų24.13%0.02516%0.158CC..THydrogen-bonded Turntrans-74.4140.2175-57.5-60.2-59.500110.6L115 G119 T141 V188 D189 S190 P208L115-M117 HydrophobicContact CD2-SD 4.03Å; L115-M117 HydrophobicContact CG-SD 4.11Å; M117-G119 PolarHBondContact O-N 3.4Å; M117-T141 WeakPolarHBondContact CA-OG1 3.31Å; M117-T141 HydrophobicContact CE-CG2 3.52Å; M117-T141 WeakPolarHBondContact CE-OG1 3.48Å; M117-T141 HydrophobicContact SD-CG2 3.53Å; M117-T141 VanDerWaalsContact SD-CG2 3.53Å; M117-V188 PolarHBondContact N-O 3.01Å; M117-D189 HydrophobicContact CG-CB 4.29Å; M117-S190 WeakPolarHBondContact O-CB 3.22Å; M117-P208 HydrophobicContact CE-CB 4.36Å; M117-P208 VanDerWaalsContact CE-CD 3.46Å; M117-P208 HydrophobicContact CE-CG 3.38Å; M117-P208 HydrophobicContact SD-CG 4.4Å
118D91.8Very high95.6Very high2 Ų218.1 Ų18.11%0.01113%0.13CC..THydrogen-bonded Turntrans50.555.9-178-164.26.6000112.5S120 S121 T141 H143 K147 K306D118-S120 PolarHBondContact O-N 3.36Å; D118-S120 PolarHBondContact OD1-OG 2.95Å; D118-S120 VanDerWaalsContact OD1-OG 3.07Å; D118-S121 VanDerWaalsContact O-CB 3.3Å; D118-S121 WeakPolarHBondContact O-CB 3.37Å; D118-S121 PolarHBondContact O-N 3.33Å; D118-S121 PolarHBondContact O-OG 3.15Å; D118-T141 PolarHBondContact N-OG1 3.28Å; D118-H143 IonicContact OD1-CD2 3.74Å; D118-H143 IonicContact OD2-CD2 3.36Å; D118-K147 IonicContact OD1-NZ 2.68Å; D118-K306 IonicContact OD2-NZ 3.71Å; D118-K306 PolarHBondContact OD2-NZ 3.34Å
119G93.1Very high95.6Very high0 Ų018 Ų180%013%0.129CC..THydrogen-bonded Turntrans-62.8-14.6-175.300000114.6M117 S121 G124 L125 T140 T141M117-G119 PolarHBondContact O-N 3.4Å; G119-S121 VanDerWaalsContact C-N 3.31Å; G119-G124 CarbonylContact O-C 3.37Å; G119-L125 WeakPolarHBondContact O-CA 3.36Å; G119-L125 PolarHBondContact O-N 3.35Å; G119-T140 WeakPolarHBondContact CA-OG1 3.2Å; G119-T140 PolarHBondContact N-OG1 2.76Å; G119-T140 VanDerWaalsContact N-OG1 3.14Å; G119-T141 PolarHBondContact N-O 3.02Å
120S92.2Very high95.6Very high8 Ų816 Ų166%0.05611%0.112CC..THydrogen-bonded Turntrans-79.2-13.7175.370.60000113.6D118 K147D118-S120 PolarHBondContact O-N 3.36Å; D118-S120 PolarHBondContact OD1-OG 2.95Å; D118-S120 VanDerWaalsContact OD1-OG 3.07Å; S120-K147 WeakPolarHBondContact OG-CD 3.34Å; S120-K147 VanDerWaalsContact OG-CE 3.28Å; S120-K147 WeakPolarHBondContact OG-CE 3.41Å; S120-K147 PolarHBondContact OG-NZ 3.23Å
121S91.7Very high95.7Very high8 Ų812.2 Ų12.26%0.0568%0.081CC..SBendtrans-67.4156.5174.766.70000110.9D118 G119 F123 G124 L125D118-S121 VanDerWaalsContact O-CB 3.3Å; D118-S121 WeakPolarHBondContact O-CB 3.37Å; D118-S121 PolarHBondContact O-N 3.33Å; D118-S121 PolarHBondContact O-OG 3.15Å; G119-S121 VanDerWaalsContact C-N 3.31Å; S121-F123 VanDerWaalsContact C-N 3.29Å; S121-F123 PolarHBondContact O-N 3.43Å; S121-G124 PolarHBondContact O-N 3.17Å; S121-G124 WeakPolarHBondContact OG-CA 3.5Å; S121-G124 PolarHBondContact OG-N 3.35Å; S121-L125 VanDerWaalsContact O-CB 3.3Å; S121-L125 WeakPolarHBondContact O-CB 3.31Å; S121-L125 PolarHBondContact O-N 2.89Å
122P91.5Very high95.7Very high43 Ų4310.2 Ų10.228%0.2796%0.057SC..Hα-helixtrans-53.4-45.3176.8-28.335.9000113D94 M126 K308D94-P122 WeakPolarHBondContact OD2-CB 3.3Å; P122-M126 WeakPolarHBondContact O-CG 3.32Å; P122-M126 PolarHBondContact O-N 3.45Å; P122-K308 HydrophobicContact CB-CD 4.49Å; P122-K308 HydrophobicContact CG-CB 4.24Å
123F94.1Very high95.6Very high28 Ų2813.8 Ų13.812%0.1237%0.069CC..Hα-helixtrans-65.5-49.5174.7169.1-111.5000112.8C97 A98 A101 S121 L125 M126 C127 V188 L250C97-F123 HydrophobicContact CB-CD2 3.76Å; C97-F123 HydrophobicContact CB-CE2 3.76Å; A98-F123 HydrophobicContact CB-CD2 4.41Å; A98-F123 HydrophobicContact CB-CE2 4.27Å; A101-F123 HydrophobicContact CB-CZ 4.23Å; S121-F123 VanDerWaalsContact C-N 3.29Å; S121-F123 PolarHBondContact O-N 3.43Å; F123-L125 VanDerWaalsContact C-N 3.29Å; F123-L125 PolarHBondContact O-N 2.95Å; F123-M126 PolarHBondContact O-N 3.14Å; F123-C127 VanDerWaalsContact CZ-SG 3.6Å; F123-C127 PolarHBondContact O-N 3.13Å; F123-V188 HydrophobicContact CE1-CG1 3.56Å; F123-V188 HydrophobicContact CZ-CG1 3.58Å; F123-L250 HydrophobicContact CE1-CD2 4.47Å; F123-L250 HydrophobicContact CE2-CD2 3.92Å; F123-L250 HydrophobicContact CZ-CD2 3.6Å
124G95.3Very high95.5Very high0 Ų015.9 Ų15.90%08%0.077CC..Hα-helixtrans-59.3-40.2179.900000112.4G119 S121 M126 C127 V128G119-G124 CarbonylContact O-C 3.37Å; S121-G124 PolarHBondContact O-N 3.17Å; S121-G124 WeakPolarHBondContact OG-CA 3.5Å; S121-G124 PolarHBondContact OG-N 3.35Å; G124-M126 PolarHBondContact O-N 3.05Å; G124-C127 WeakPolarHBondContact O-CB 3.35Å; G124-C127 PolarHBondContact O-N 2.87Å; G124-V128 VanDerWaalsContact O-CG2 3.3Å; G124-V128 WeakPolarHBondContact O-CG2 3.39Å; G124-V128 PolarHBondContact O-N 3.15Å
125L95.3Very high95.4Very high3 Ų318 Ų182%0.01610%0.1CC..Hα-helixtrans-64.1-41.5178.3-176.963.6000111.6G119 S121 F123 V128 Q129 F150 L154 Q284G119-L125 WeakPolarHBondContact O-CA 3.36Å; G119-L125 PolarHBondContact O-N 3.35Å; S121-L125 VanDerWaalsContact O-CB 3.3Å; S121-L125 WeakPolarHBondContact O-CB 3.31Å; S121-L125 PolarHBondContact O-N 2.89Å; F123-L125 VanDerWaalsContact C-N 3.29Å; F123-L125 PolarHBondContact O-N 2.95Å; L125-V128 PolarHBondContact O-N 2.83Å; L125-Q129 HydrophobicContact CD1-CG 4.33Å; L125-Q129 WeakPolarHBondContact O-CB 3.48Å; L125-Q129 VanDerWaalsContact O-CG 3.32Å; L125-Q129 WeakPolarHBondContact O-CG 3.3Å; L125-Q129 PolarHBondContact O-N 2.94Å; L125-F150 HydrophobicContact CD1-CE1 4.23Å; L125-F150 HydrophobicContact CD1-CZ 4.4Å; L125-F150 HydrophobicContact CD2-CZ 4.32Å; L125-L154 HydrophobicContact CD1-CD1 3.62Å; L125-L154 HydrophobicContact CD1-CD2 3.79Å; L125-L154 HydrophobicContact CD1-CG 4.38Å; L125-Q284 HydrophobicContact CD2-CB 4.16Å
126M96Very high95.4Very high4 Ų418.5 Ų18.52%0.0210%0.102CC..Hα-helixtrans-62.4-43.7173.9-66.3-59.1113.700111.3D94 A98 P122 F123 G124 L130 L281 P283D94-M126 HydrophobicContact CB-CG 3.92Å; A98-M126 HydrophobicContact CB-CB 3.65Å; P122-M126 WeakPolarHBondContact O-CG 3.32Å; P122-M126 PolarHBondContact O-N 3.45Å; F123-M126 PolarHBondContact O-N 3.14Å; G124-M126 PolarHBondContact O-N 3.05Å; M126-L130 WeakPolarHBondContact O-CB 3.48Å; M126-L130 PolarHBondContact O-N 2.95Å; M126-L281 HydrophobicContact SD-CB 4.21Å; M126-L281 HydrophobicContact SD-CD1 4.36Å; M126-L281 HydrophobicContact SD-CD2 4.25Å; M126-L281 HydrophobicContact SD-CG 4.5Å; M126-P283 VanDerWaalsContact CE-CA 3.45Å; M126-P283 HydrophobicContact CE-CB 3.69Å
127C97.5Very high95.4Very high0 Ų022.3 Ų22.30%012%0.119CC..Hα-helixtrans-59.3-48.8175.8-75.30000111.8A98 L102 V116 F123 G124 A131A98-C127 HydrophobicContact CB-CB 4.48Å; A98-C127 VanDerWaalsContact CB-SG 3.51Å; L102-C127 HydrophobicContact CD1-CB 4.28Å; V116-C127 HydrophobicContact CG1-CB 3.97Å; V116-C127 HydrophobicContact CG2-CB 3.98Å; F123-C127 VanDerWaalsContact CZ-SG 3.6Å; F123-C127 PolarHBondContact O-N 3.13Å; G124-C127 WeakPolarHBondContact O-CB 3.35Å; G124-C127 PolarHBondContact O-N 2.87Å; C127-A131 WeakPolarHBondContact O-CB 3.39Å; C127-A131 PolarHBondContact O-N 3.4Å
128V97.6Very high95.6Very high1 Ų122.2 Ų22.21%0.00612%0.118CC..Hα-helixtrans-59-51.8179.4168.40000110.8V116 G124 L125 A131 C132 V138 L154 V158V116-V128 HydrophobicContact CB-CG2 4.12Å; V116-V128 HydrophobicContact CG1-CG2 4.33Å; V116-V128 HydrophobicContact CG2-CG2 4.14Å; G124-V128 VanDerWaalsContact O-CG2 3.3Å; G124-V128 WeakPolarHBondContact O-CG2 3.39Å; G124-V128 PolarHBondContact O-N 3.15Å; L125-V128 PolarHBondContact O-N 2.83Å; V128-A131 PolarHBondContact O-N 3.49Å; V128-C132 WeakPolarHBondContact O-CB 3.47Å; V128-C132 PolarHBondContact O-N 3.16Å; V128-C132 PolarHBondContact O-SG 3.44Å; V128-V138 HydrophobicContact CB-CG1 4.36Å; V128-V138 HydrophobicContact CG1-CG1 4.22Å; V128-V138 HydrophobicContact CG2-CG1 3.94Å; V128-L154 HydrophobicContact CG1-CD1 4.29Å; V128-V158 HydrophobicContact CG1-CG1 3.44Å; V128-V158 VanDerWaalsContact CG1-CG1 3.44Å
129Q97.2Very high95.9Very high12 Ų1222.1 Ų22.16%0.05612%0.118CC..Hα-helixtrans-65.6-42.4-176.7-70.6174.6-8.300112L125 Y133 L281 R282L125-Q129 HydrophobicContact CD1-CG 4.33Å; L125-Q129 WeakPolarHBondContact O-CB 3.48Å; L125-Q129 VanDerWaalsContact O-CG 3.32Å; L125-Q129 WeakPolarHBondContact O-CG 3.3Å; L125-Q129 PolarHBondContact O-N 2.94Å; Q129-Y133 WeakPolarHBondContact O-CB 3.19Å; Q129-Y133 PolarHBondContact O-N 2.89Å; Q129-L281 HydrophobicContact CB-CD2 3.78Å; Q129-R282 PolarHBondContact NE2-O 3.14Å; Q129-R282 PolarHBondContact OE1-O 3.33Å
130L97.1Very high96.1Very high1 Ų122.1 Ų22.11%0.00512%0.118CC..Hα-helixtrans-65.2-45.2178.1-172.158.7000111.3Y99 L102 M126 Y133 H134 K275 L281Y99-L130 HydrophobicContact CD2-CD2 4.38Å; L102-L130 HydrophobicContact CD1-CB 4.16Å; L102-L130 HydrophobicContact CD1-CD2 4.18Å; L102-L130 HydrophobicContact CD1-CG 4.32Å; M126-L130 WeakPolarHBondContact O-CB 3.48Å; M126-L130 PolarHBondContact O-N 2.95Å; L130-Y133 WeakPolarHBondContact O-CB 3.27Å; L130-Y133 PolarHBondContact O-N 3.38Å; L130-H134 PolarHBondContact O-CD2 3.5Å; L130-H134 PolarHBondContact O-N 2.85Å; L130-H134 VanDerWaalsContact O-N 3.08Å; L130-K275 HydrophobicContact CD1-CD 3.76Å; L130-L281 HydrophobicContact CB-CD2 4.18Å
131A97.9Very high96.2Very high0 Ų021.7 Ų21.70%012%0.115CC..Hα-helixtrans-63.6-46.2178.700000112.3L102 M108 L114 C127 V128 Y133 H134 G135 V136 V138L102-A131 HydrophobicContact CD1-CB 4.19Å; M108-A131 HydrophobicContact SD-CB 3.63Å; L114-A131 HydrophobicContact CD2-CB 3.36Å; C127-A131 WeakPolarHBondContact O-CB 3.39Å; C127-A131 PolarHBondContact O-N 3.4Å; V128-A131 PolarHBondContact O-N 3.49Å; A131-Y133 VanDerWaalsContact C-N 3.3Å; A131-Y133 PolarHBondContact O-N 3.36Å; A131-H134 CarbonylContact O-C 3.6Å; A131-H134 WeakPolarHBondContact O-CA 3.47Å; A131-H134 PolarHBondContact O-N 2.7Å; A131-G135 PolarHBondContact O-N 3.33Å; A131-V136 HydrophobicContact CB-CB 4.1Å; A131-V136 HydrophobicContact CB-CG1 4.31Å; A131-V136 WeakPolarHBondContact O-CB 3.3Å; A131-V136 PolarHBondContact O-N 2.96Å; A131-V136 VanDerWaalsContact O-N 3.09Å; A131-V138 HydrophobicContact CB-CG2 3.59Å
132C96.9Very high96.2Very high23 Ų2321.3 Ų21.316%0.15511%0.113CC..Hα-helixtrans-61-39.7175.3-70.30000112V128 H134 G135 V138 P156V128-C132 WeakPolarHBondContact O-CB 3.47Å; V128-C132 PolarHBondContact O-N 3.16Å; V128-C132 PolarHBondContact O-SG 3.44Å; C132-H134 PolarHBondContact O-N 2.92Å; C132-G135 PolarHBondContact O-N 3.5Å; C132-G135 VanDerWaalsContact O-N 3.08Å; C132-V138 VanDerWaalsContact SG-CG2 3.5Å; C132-P156 HydrophobicContact CB-CB 4.02Å; C132-P156 HydrophobicContact CB-CG 3.27Å
133Y95.8Very high95.9Very high130 Ų13021 Ų2151%0.5111%0.108SC..Hα-helixtrans-59.6-34.3174.3174.7-100.6000112.5Q129 L130 A131 G135 V280Q129-Y133 WeakPolarHBondContact O-CB 3.19Å; Q129-Y133 PolarHBondContact O-N 2.89Å; L130-Y133 WeakPolarHBondContact O-CB 3.27Å; L130-Y133 PolarHBondContact O-N 3.38Å; A131-Y133 VanDerWaalsContact C-N 3.3Å; A131-Y133 PolarHBondContact O-N 3.36Å; Y133-G135 VanDerWaalsContact C-N 3.29Å; Y133-G135 PolarHBondContact O-N 2.83Å; Y133-V280 HydrophobicContact CD1-CG1 4.1Å; Y133-V280 HydrophobicContact CD2-CB 4.22Å; Y133-V280 HydrophobicContact CD2-CG1 3.33Å; Y133-V280 HydrophobicContact CD2-CG2 3.8Å; Y133-V280 HydrophobicContact CE2-CB 4.46Å; Y133-V280 HydrophobicContact CE2-CG1 3.92Å; Y133-V280 HydrophobicContact CE2-CG2 3.66Å; Y133-V280 HydrophobicContact CG-CG1 3.42Å; Y133-V280 VanDerWaalsContact CG-CG1 3.42Å
134H96.3Very high95.7Very high64 Ų6421 Ų2130%0.29611%0.11SC..THydrogen-bonded Turntrans-84.46.8176.7-79.8-74.7000114.5H103 M108 A110 L130 A131 C132H103-H134 AromaticContact CE1-CD2 3.78Å; H103-H134 AromaticContact CE1-CE1 3.74Å; H103-H134 AromaticContact CE1-NE2 3.5Å; H103-H134 PolarHBondContact CE1-NE2 3.34Å; H103-H134 AromaticContact NE2-CD2 3.76Å; H103-H134 AromaticContact NE2-NE2 3.48Å; H103-H134 PolarHBondContact NE2-NE2 2.92Å; M108-H134 HydrophobicContact CE-CB 3.67Å; A110-H134 WeakPolarHBondContact CA-O 3.27Å; A110-H134 WeakPolarHBondContact CB-O 3.06Å; L130-H134 PolarHBondContact O-CD2 3.5Å; L130-H134 PolarHBondContact O-N 2.85Å; L130-H134 VanDerWaalsContact O-N 3.08Å; A131-H134 CarbonylContact O-C 3.6Å; A131-H134 WeakPolarHBondContact O-CA 3.47Å; A131-H134 PolarHBondContact O-N 2.7Å; C132-H134 PolarHBondContact O-N 2.92Å
135G96.5Very high95.4Very high46 Ų4624.4 Ų24.447%0.47413%0.133SC..THydrogen-bonded Turntrans75.628.4176.800000114.1G111 A131 C132 Y133G111-G135 PolarHBondContact N-O 3.29Å; A131-G135 PolarHBondContact O-N 3.33Å; C132-G135 PolarHBondContact O-N 3.5Å; C132-G135 VanDerWaalsContact O-N 3.08Å; Y133-G135 VanDerWaalsContact C-N 3.29Å; Y133-G135 PolarHBondContact O-N 2.83Å
136V98.1Very high95.2Very high9 Ų930.9 Ų30.96%0.05516%0.163CC..  trans-91.3141.5175.3178.10000110M108 A109 H112 L114 A131 V138M108-V136 HydrophobicContact CG-CG2 3.52Å; M108-V136 HydrophobicContact SD-CB 4.4Å; M108-V136 HydrophobicContact SD-CG2 3.66Å; A109-V136 WeakPolarHBondContact O-CG2 3.19Å; H112-V136 HydrophobicContact CB-CG1 4.32Å; H112-V136 WeakPolarHBondContact O-CA 3.46Å; H112-V136 WeakPolarHBondContact O-CG1 3.49Å; L114-V136 HydrophobicContact CB-CG1 3.6Å; A131-V136 HydrophobicContact CB-CB 4.1Å; A131-V136 HydrophobicContact CB-CG1 4.31Å; A131-V136 WeakPolarHBondContact O-CB 3.3Å; A131-V136 PolarHBondContact O-N 2.96Å; A131-V136 VanDerWaalsContact O-N 3.09Å; V136-V138 HydrophobicContact CG1-CG2 4.44Å; V136-V138 PolarHBondContact O-N 3.28Å
137K97.9Very high95Very high81 Ų8134.4 Ų34.435%0.35218%0.178SC..EExtended strand (participates in β ladder)trans-76.9113.2171.2-175.4-178.7178.6179.30108.8H112 T113 L114 L139 A159 E178H112-K137 PolarHBondContact O-N 2.98Å; T113-K137 CarbonylContact C-O 3.46Å; T113-K137 WeakPolarHBondContact CA-O 3.25Å; T113-K137 HydrophobicContact CG2-CB 4.24Å; T113-K137 HydrophobicContact CG2-CD 4.36Å; T113-K137 HydrophobicContact CG2-CG 4.33Å; T113-K137 WeakPolarHBondContact CG2-O 3.44Å; L114-K137 PolarHBondContact N-O 3.45Å; K137-L139 HydrophobicContact CG-CD1 4.44Å; K137-A159 HydrophobicContact CD-CB 4.23Å; K137-A159 VanDerWaalsContact CE-CB 3.41Å; K137-A159 HydrophobicContact CG-CB 3.69Å; K137-E178 PolarHBondContact NZ-O 2.66Å; K137-E178 IonicContact NZ-OE2 2.71Å; K137-E178 PolarHBondContact NZ-OE2 2.93Å
138V98.4Very high94.8Very high3 Ų336.4 Ų36.42%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-103.7123.7-175.2-176.40000111.7L114 V116 V128 A131 C132 V136 V158 A159L114-V138 HydrophobicContact CD2-CG2 4.38Å; L114-V138 CarbonylContact O-C 3.58Å; L114-V138 WeakPolarHBondContact O-CA 3.43Å; V116-V138 HydrophobicContact CG2-CG1 4.26Å; V128-V138 HydrophobicContact CB-CG1 4.36Å; V128-V138 HydrophobicContact CG1-CG1 4.22Å; V128-V138 HydrophobicContact CG2-CG1 3.94Å; A131-V138 HydrophobicContact CB-CG2 3.59Å; C132-V138 VanDerWaalsContact SG-CG2 3.5Å; V136-V138 HydrophobicContact CG1-CG2 4.44Å; V136-V138 PolarHBondContact O-N 3.28Å; V138-V158 HydrophobicContact CG1-CG1 4.28Å; V138-A159 WeakPolarHBondContact O-CB 3.46Å; V138-A159 PolarHBondContact O-N 3.13Å
139L97.9Very high94.6Very high0 Ų038.2 Ų38.20%020%0.202CC..EExtended strand (participates in β ladder)trans-103.6149.3162.6-67.678000108.2T113 L114 L115 V116 K137 R160 I162 V175 E178T113-L139 HydrophobicContact CG2-CD1 3.45Å; T113-L139 VanDerWaalsContact CG2-CD1 3.45Å; L114-L139 PolarHBondContact O-N 2.75Å; L115-L139 CarbonylContact C-O 3.59Å; L115-L139 WeakPolarHBondContact CA-O 3.47Å; L115-L139 HydrophobicContact CD1-CB 3.96Å; V116-L139 PolarHBondContact N-O 2.91Å; K137-L139 HydrophobicContact CG-CD1 4.44Å; L139-R160 WeakPolarHBondContact CA-O 3.22Å; L139-R160 HydrophobicContact CD2-CB 4.24Å; L139-R160 HydrophobicContact CG-CB 4Å; L139-I162 HydrophobicContact CD2-CD1 4.42Å; L139-V175 HydrophobicContact CD2-CG2 4.14Å; L139-E178 HydrophobicContact CD2-CB 3.77Å; L139-E178 HydrophobicContact CD2-CG 4.13Å
140T96.4Very high94.5Very high0 Ų040.7 Ų40.70%021%0.213CC..EExtended strand (participates in β ladder)trans-147157177.8-172.90000112.6V116 G119 L151 V158 R160 V161 I162V116-T140 WeakPolarHBondContact O-CA 3.2Å; V116-T140 WeakPolarHBondContact O-CB 3.31Å; V116-T140 PolarHBondContact O-OG1 3.45Å; G119-T140 WeakPolarHBondContact CA-OG1 3.2Å; G119-T140 PolarHBondContact N-OG1 2.76Å; G119-T140 VanDerWaalsContact N-OG1 3.14Å; T140-L151 HydrophobicContact CG2-CD1 3.9Å; T140-V158 HydrophobicContact CG2-CG1 4.23Å; T140-V158 HydrophobicContact CG2-CG2 4.46Å; T140-R160 PolarHBondContact N-O 3.45Å; T140-V161 HydrophobicContact CG2-CG1 4.43Å; T140-V161 HydrophobicContact CG2-CG2 4.06Å; T140-V161 CarbonylContact O-C 3.51Å; T140-V161 WeakPolarHBondContact O-CA 3.31Å; T140-I162 PolarHBondContact O-N 2.77Å
141T94.2Very high94.4Very high0 Ų040.6 Ų40.60%021%0.213CC..EExtended strand (participates in β ladder)trans-101.6154.1175.270.60000112.6L115 V116 M117 D118 G119 I162 V164 L171L115-T141 HydrophobicContact CD1-CG2 4.3Å; V116-T141 PolarHBondContact O-N 3.46Å; V116-T141 VanDerWaalsContact O-N 3.16Å; M117-T141 WeakPolarHBondContact CA-OG1 3.31Å; M117-T141 HydrophobicContact CE-CG2 3.52Å; M117-T141 WeakPolarHBondContact CE-OG1 3.48Å; M117-T141 HydrophobicContact SD-CG2 3.53Å; M117-T141 VanDerWaalsContact SD-CG2 3.53Å; D118-T141 PolarHBondContact N-OG1 3.28Å; G119-T141 PolarHBondContact N-O 3.02Å; T141-I162 CarbonylContact C-O 3.55Å; T141-I162 VanDerWaalsContact CA-O 3.24Å; T141-I162 WeakPolarHBondContact CA-O 3.37Å; T141-I162 HydrophobicContact CG2-CB 4.28Å; T141-V164 HydrophobicContact CG2-CG1 3.97Å; T141-L171 HydrophobicContact CG2-CD1 3.73Å
142S91.6Very high94.2Very high0 Ų045.8 Ų45.80%024%0.237CC..EExtended strand (participates in β ladder)trans-134.1135.4174.5-176.90000112.4S144 K147 Q148 I162 V164S142-S144 PolarHBondContact OG-N 3.1Å; S142-S144 PolarHBondContact OG-O 3.35Å; S142-K147 VanDerWaalsContact OG-CB 3.29Å; S142-K147 WeakPolarHBondContact OG-CB 3.47Å; S142-Q148 PolarHBondContact OG-N 2.74Å; S142-Q148 VanDerWaalsContact OG-N 3.08Å; S142-I162 PolarHBondContact N-O 2.99Å; S142-V164 WeakPolarHBondContact O-CG2 3.19Å; S142-V164 PolarHBondContact O-N 2.6Å
143H86.4Confident94Very high37 Ų3751.8 Ų51.817%0.17126%0.263CS..SBendtrans-93.83.1177.6-57.2-77.6000113.8D118 V164 H165D118-H143 IonicContact OD1-CD2 3.74Å; D118-H143 IonicContact OD2-CD2 3.36Å; H143-V164 WeakPolarHBondContact ND1-CG2 3.45Å; H143-H165 VanDerWaalsContact O-CB 3.27Å; H143-H165 WeakPolarHBondContact O-CB 3.25Å
144S88.6Confident93.8Very high26 Ų2646.5 Ų46.518%0.18224%0.243CC..SBendtrans-152154.1172.1930000112.1S142 Q146 K147 Q148S142-S144 PolarHBondContact OG-N 3.1Å; S142-S144 PolarHBondContact OG-O 3.35Å; S144-Q146 VanDerWaalsContact C-N 3.29Å; S144-Q146 PolarHBondContact O-N 2.93Å; S144-Q146 PolarHBondContact OG-N 2.78Å; S144-Q146 PolarHBondContact OG-OE1 3.1Å; S144-K147 PolarHBondContact O-N 2.68Å; S144-K147 WeakPolarHBondContact OG-CB 3.4Å; S144-K147 WeakPolarHBondContact OG-CG 3.36Å; S144-K147 PolarHBondContact OG-N 2.79Å; S144-K147 VanDerWaalsContact OG-N 3.14Å; S144-Q148 WeakPolarHBondContact O-CB 3.32Å; S144-Q148 PolarHBondContact O-N 2.88Å
145P90.2Very high93.5Very high73 Ų7353.3 Ų53.347%0.47427%0.266SS..Hα-helixtrans-64.2-33.8177.223.9-32.7000112.3Q148 A149P145-Q148 PolarHBondContact O-N 3.49Å; P145-A149 PolarHBondContact O-N 2.9Å
146Q91.8Very high93Very high139 Ų13954.2 Ų54.265%0.6526%0.264SS*.Hα-helixtrans-65.7-44.4176.6-55.784.7-0.400111.3S144 Q148 A149 F150S144-Q146 VanDerWaalsContact C-N 3.29Å; S144-Q146 PolarHBondContact O-N 2.93Å; S144-Q146 PolarHBondContact OG-N 2.78Å; S144-Q146 PolarHBondContact OG-OE1 3.1Å; Q146-Q148 VanDerWaalsContact C-N 3.31Å; Q146-Q148 PolarHBondContact O-N 2.88Å; Q146-A149 PolarHBondContact O-N 3.3Å; Q146-F150 PolarHBondContact O-N 3.26Å; Q146-F150 VanDerWaalsContact O-N 3.1Å
147K91.7Very high92.7Very high78 Ų7857.9 Ų57.934%0.33929%0.29SS..Hα-helixtrans-65.4-36.1176-76.2172.4155.2-1540111.7D118 S120 S142 S144 F150 L151D118-K147 IonicContact OD1-NZ 2.68Å; S120-K147 WeakPolarHBondContact OG-CD 3.34Å; S120-K147 VanDerWaalsContact OG-CE 3.28Å; S120-K147 WeakPolarHBondContact OG-CE 3.41Å; S120-K147 PolarHBondContact OG-NZ 3.23Å; S142-K147 VanDerWaalsContact OG-CB 3.29Å; S142-K147 WeakPolarHBondContact OG-CB 3.47Å; S144-K147 PolarHBondContact O-N 2.68Å; S144-K147 WeakPolarHBondContact OG-CB 3.4Å; S144-K147 WeakPolarHBondContact OG-CG 3.36Å; S144-K147 PolarHBondContact OG-N 2.79Å; S144-K147 VanDerWaalsContact OG-N 3.14Å; K147-F150 WeakPolarHBondContact O-CB 3.45Å; K147-F150 PolarHBondContact O-N 3.05Å; K147-L151 VanDerWaalsContact O-CG 3.31Å; K147-L151 WeakPolarHBondContact O-CG 3.25Å; K147-L151 PolarHBondContact O-N 3.43Å
148Q92.6Very high92.6Very high41 Ų4155 Ų5519%0.19228%0.279CS..Hα-helixtrans-62.7-51.3175.5173176.6-6.200111.1S142 S144 P145 Q146 F150 L151 E152 V161S142-Q148 PolarHBondContact OG-N 2.74Å; S142-Q148 VanDerWaalsContact OG-N 3.08Å; S144-Q148 WeakPolarHBondContact O-CB 3.32Å; S144-Q148 PolarHBondContact O-N 2.88Å; P145-Q148 PolarHBondContact O-N 3.49Å; Q146-Q148 VanDerWaalsContact C-N 3.31Å; Q146-Q148 PolarHBondContact O-N 2.88Å; Q148-F150 PolarHBondContact O-N 3.08Å; Q148-L151 PolarHBondContact O-N 3.38Å; Q148-L151 VanDerWaalsContact O-N 3.07Å; Q148-E152 HydrophobicContact CG-CG 4.41Å; Q148-E152 VanDerWaalsContact CG-OE1 3.3Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.4Å; Q148-E152 PolarHBondContact NE2-OE1 3.08Å; Q148-E152 WeakPolarHBondContact O-CG 3.18Å; Q148-E152 PolarHBondContact O-N 3.33Å; Q148-V161 HydrophobicContact CB-CG1 4.2Å; Q148-V161 HydrophobicContact CG-CB 4.27Å; Q148-V161 HydrophobicContact CG-CG1 3.79Å
149A93.7Very high92.4Very high39 Ų3957 Ų5732%0.32230%0.296SS..Hα-helixtrans-59-36.3178.400000112.1P145 Q146 Q153P145-A149 PolarHBondContact O-N 2.9Å; Q146-A149 PolarHBondContact O-N 3.3Å; A149-Q153 VanDerWaalsContact O-CG 3.25Å; A149-Q153 WeakPolarHBondContact O-CG 3.35Å; A149-Q153 PolarHBondContact O-N 2.9Å
150F94Very high92.3Very high64 Ų6461.2 Ų61.228%0.28131%0.312SS..Hα-helixtrans-62.2-48.9172.8168.1-103.5000112.2L125 Q146 K147 Q148 E152 Q153 L154L125-F150 HydrophobicContact CD1-CE1 4.23Å; L125-F150 HydrophobicContact CD1-CZ 4.4Å; L125-F150 HydrophobicContact CD2-CZ 4.32Å; Q146-F150 PolarHBondContact O-N 3.26Å; Q146-F150 VanDerWaalsContact O-N 3.1Å; K147-F150 WeakPolarHBondContact O-CB 3.45Å; K147-F150 PolarHBondContact O-N 3.05Å; Q148-F150 PolarHBondContact O-N 3.08Å; F150-E152 VanDerWaalsContact C-N 3.32Å; F150-E152 PolarHBondContact O-N 3.47Å; F150-Q153 PolarHBondContact O-N 3.19Å; F150-Q153 VanDerWaalsContact O-N 3.12Å; F150-L154 HydrophobicContact CE1-CD2 4.19Å; F150-L154 HydrophobicContact CE2-CD2 4.31Å; F150-L154 HydrophobicContact CZ-CD2 3.88Å; F150-L154 PolarHBondContact O-N 3.09Å
151L94.6Very high92.3Very high0 Ų061.9 Ų61.90%032%0.316CS..Hα-helixtrans-63.1-37.6179.7-70172.6000112.5T140 K147 Q148 Q153 L154 V161T140-L151 HydrophobicContact CG2-CD1 3.9Å; K147-L151 VanDerWaalsContact O-CG 3.31Å; K147-L151 WeakPolarHBondContact O-CG 3.25Å; K147-L151 PolarHBondContact O-N 3.43Å; Q148-L151 PolarHBondContact O-N 3.38Å; Q148-L151 VanDerWaalsContact O-N 3.07Å; L151-Q153 PolarHBondContact O-N 3.39Å; L151-L154 HydrophobicContact CD2-CD1 3.55Å; L151-L154 WeakPolarHBondContact O-CB 2.97Å; L151-L154 PolarHBondContact O-N 3.27Å; L151-V161 HydrophobicContact CB-CG1 4.25Å; L151-V161 HydrophobicContact CB-CG2 3.66Å; L151-V161 HydrophobicContact CD1-CG1 4.01Å
152E93.9Very high92.3Very high108 Ų10861.9 Ų61.951%0.50532%0.316SS..Hα-helixtrans-66.3-25.1176.1-70.9172.2179.400112.7Q148 F150 V161Q148-E152 HydrophobicContact CG-CG 4.41Å; Q148-E152 VanDerWaalsContact CG-OE1 3.3Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.4Å; Q148-E152 PolarHBondContact NE2-OE1 3.08Å; Q148-E152 WeakPolarHBondContact O-CG 3.18Å; Q148-E152 PolarHBondContact O-N 3.33Å; F150-E152 VanDerWaalsContact C-N 3.32Å; F150-E152 PolarHBondContact O-N 3.47Å; E152-V161 HydrophobicContact CG-CB 4.27Å; E152-V161 HydrophobicContact CG-CG2 3.82Å
153Q93.8Very high92.2Very high150 Ų15064.6 Ų64.670%0.70133%0.333SS*.THydrogen-bonded Turntrans-88.6-5.6177.5-69.4173.123.400113.6A149 F150 L151A149-Q153 VanDerWaalsContact O-CG 3.25Å; A149-Q153 WeakPolarHBondContact O-CG 3.35Å; A149-Q153 PolarHBondContact O-N 2.9Å; F150-Q153 PolarHBondContact O-N 3.19Å; F150-Q153 VanDerWaalsContact O-N 3.12Å; L151-Q153 PolarHBondContact O-N 3.39Å
154L91.6Very high92.1Very high19 Ų1962.9 Ų62.910%0.09933%0.325CS..  trans-60.8147.6-179-74177.1000112.3L125 V128 F150 L151 P156 S157L125-L154 HydrophobicContact CD1-CD1 3.62Å; L125-L154 HydrophobicContact CD1-CD2 3.79Å; L125-L154 HydrophobicContact CD1-CG 4.38Å; V128-L154 HydrophobicContact CG1-CD1 4.29Å; F150-L154 HydrophobicContact CE1-CD2 4.19Å; F150-L154 HydrophobicContact CE2-CD2 4.31Å; F150-L154 HydrophobicContact CZ-CD2 3.88Å; F150-L154 PolarHBondContact O-N 3.09Å; L151-L154 HydrophobicContact CD2-CD1 3.55Å; L151-L154 WeakPolarHBondContact O-CB 2.97Å; L151-L154 PolarHBondContact O-N 3.27Å; L154-P156 CarbonylContact C-O 3.54Å; L154-P156 CarbonylContact O-C 3.56Å; L154-S157 WeakPolarHBondContact O-CA 3.14Å; L154-S157 PolarHBondContact O-N 2.96Å
155R89Confident91.6Very high206 Ų20664.1 Ų64.178%0.77733%0.328SS*.SBendtrans-128.1120.1175.7-67.8-79.8-174.8113.30.5107.8
156P86.4Confident90.5Very high66 Ų6667.7 Ų67.743%0.42934%0.344SS..SBendcis-62.7151-4.727.5-36.2000113.3C132 L154C132-P156 HydrophobicContact CB-CB 4.02Å; C132-P156 HydrophobicContact CB-CG 3.27Å; L154-P156 CarbonylContact C-O 3.54Å; L154-P156 CarbonylContact O-C 3.56Å
157S91.9Very high89.3Confident86 Ų8662.4 Ų62.460%0.60133%0.326SS*.PPolyproline II helixtrans-72.6137.4-176.1540000111.7L154L154-S157 WeakPolarHBondContact O-CA 3.14Å; L154-S157 PolarHBondContact O-N 2.96Å
158V95.6Very high87.8Confident19 Ų1960 Ų6012%0.11532%0.319CS..PPolyproline II helixtrans-68.4153.1166-65.10000110.4V128 V138 T140 V161V128-V158 HydrophobicContact CG1-CG1 3.44Å; V128-V158 VanDerWaalsContact CG1-CG1 3.44Å; V138-V158 HydrophobicContact CG1-CG1 4.28Å; T140-V158 HydrophobicContact CG2-CG1 4.23Å; T140-V158 HydrophobicContact CG2-CG2 4.46Å; V158-V161 HydrophobicContact CG2-CG2 3.54Å
159A95.4Very high86.5Confident45 Ų4562.7 Ų62.737%0.37234%0.342SS..SBendtrans-71.1-40.2176.600000111.8K137 V138K137-A159 HydrophobicContact CD-CB 4.23Å; K137-A159 VanDerWaalsContact CE-CB 3.41Å; K137-A159 HydrophobicContact CG-CB 3.69Å; V138-A159 WeakPolarHBondContact O-CB 3.46Å; V138-A159 PolarHBondContact O-N 3.13Å
160R95.9Very high85.8Confident90 Ų9065.3 Ų65.334%0.3435%0.351SS..EExtended strand (participates in β ladder)trans-152.8137.4-178.8-166.666.7140.6-174.9-10.2111.1L139 T140 I162 V174 E177 E178L139-R160 WeakPolarHBondContact CA-O 3.22Å; L139-R160 HydrophobicContact CD2-CB 4.24Å; L139-R160 HydrophobicContact CG-CB 4Å; T140-R160 PolarHBondContact N-O 3.45Å; R160-I162 HydrophobicContact CG-CG1 4.14Å; R160-V174 HydrophobicContact CG-CG1 3.86Å; R160-E177 IonicContact NH2-OE2 2.74Å; R160-E177 PolarHBondContact NH2-OE2 2.95Å; R160-E178 HydrophobicContact CB-CG 3.92Å; R160-E178 WeakPolarHBondContact CD-OE1 3.13Å; R160-E178 HydrophobicContact CG-CG 3.88Å; R160-E178 IonicContact CZ-OE1 3.22Å; R160-E178 IonicContact NE-OE1 3.83Å; R160-E178 PolarHBondContact NE-OE1 2.81Å; R160-E178 IonicContact NH1-OE1 3.01Å; R160-E178 IonicContact NH2-OE1 3.46Å
161V95.5Very high85.6Confident13 Ų1362.3 Ų62.38%0.07934%0.338CS..EExtended strand (participates in β ladder)trans-106.3122.1164.7-173.30000108.3T140 Q148 L151 E152 V158T140-V161 HydrophobicContact CG2-CG1 4.43Å; T140-V161 HydrophobicContact CG2-CG2 4.06Å; T140-V161 CarbonylContact O-C 3.51Å; T140-V161 WeakPolarHBondContact O-CA 3.31Å; Q148-V161 HydrophobicContact CB-CG1 4.2Å; Q148-V161 HydrophobicContact CG-CB 4.27Å; Q148-V161 HydrophobicContact CG-CG1 3.79Å; L151-V161 HydrophobicContact CB-CG1 4.25Å; L151-V161 HydrophobicContact CB-CG2 3.66Å; L151-V161 HydrophobicContact CD1-CG1 4.01Å; E152-V161 HydrophobicContact CG-CB 4.27Å; E152-V161 HydrophobicContact CG-CG2 3.82Å; V158-V161 HydrophobicContact CG2-CG2 3.54Å
162I93.2Very high85.6Confident1 Ų165 Ų651%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-101.5112.6-176.5-50.6177.5000108.2L115 L139 T140 T141 S142 R160 V164 L171 V174 V175L115-I162 HydrophobicContact CD1-CD1 4.23Å; L139-I162 HydrophobicContact CD2-CD1 4.42Å; T140-I162 PolarHBondContact O-N 2.77Å; T141-I162 CarbonylContact C-O 3.55Å; T141-I162 VanDerWaalsContact CA-O 3.24Å; T141-I162 WeakPolarHBondContact CA-O 3.37Å; T141-I162 HydrophobicContact CG2-CB 4.28Å; S142-I162 PolarHBondContact N-O 2.99Å; R160-I162 HydrophobicContact CG-CG1 4.14Å; I162-V164 HydrophobicContact CG2-CG1 4.42Å; I162-V164 PolarHBondContact O-N 3.46Å; I162-L171 HydrophobicContact CD1-CD1 3.81Å; I162-L171 HydrophobicContact CG2-CD1 4.22Å; I162-V174 HydrophobicContact CD1-CB 4.32Å; I162-V174 HydrophobicContact CD1-CG1 3.98Å; I162-V174 HydrophobicContact CG1-CB 4.46Å; I162-V174 HydrophobicContact CG1-CG1 3.8Å; I162-V174 HydrophobicContact CG2-CB 4.44Å; I162-V174 HydrophobicContact CG2-CG1 4.49Å; I162-V175 HydrophobicContact CD1-CG2 3.71Å
163P89.8Confident85.5Confident56 Ų5663 Ų6336%0.36435%0.35SS..EExtended strand (participates in β ladder)trans-71.1122.5175.728-31.7000110H165P163-H165 VanDerWaalsContact CB-CE1 3.45Å; P163-H165 WeakPolarHBondContact CB-CE1 3.41Å
164V85.3Confident85.5Confident1 Ų157 Ų571%0.00632%0.324CS..  trans-114.76.1178.2-66.20000112.9T141 S142 H143 I162 N166 G167T141-V164 HydrophobicContact CG2-CG1 3.97Å; S142-V164 WeakPolarHBondContact O-CG2 3.19Å; S142-V164 PolarHBondContact O-N 2.6Å; H143-V164 WeakPolarHBondContact ND1-CG2 3.45Å; I162-V164 HydrophobicContact CG2-CG1 4.42Å; I162-V164 PolarHBondContact O-N 3.46Å; V164-N166 VanDerWaalsContact C-N 3.27Å; V164-N166 PolarHBondContact O-N 2.97Å; V164-G167 PolarHBondContact O-N 3.36Å
165H77.1Confident85.7Confident52 Ų5256.1 Ų56.124%0.24132%0.319CS..THydrogen-bonded Turntrans-75-12.2-178.256.9-89.3000114.6H143 P163H143-H165 VanDerWaalsContact O-CB 3.27Å; H143-H165 WeakPolarHBondContact O-CB 3.25Å; P163-H165 VanDerWaalsContact CB-CE1 3.45Å; P163-H165 WeakPolarHBondContact CB-CE1 3.41Å
166N68.9Low86Confident149 Ų14949.1 Ų49.180%0.79730%0.296SS*.THydrogen-bonded Turntrans-106.812.2175.2-64.5-22.1000112.4V164V164-N166 VanDerWaalsContact C-N 3.27Å; V164-N166 PolarHBondContact O-N 2.97Å
167G65.3Low86.5Confident27 Ų2752.3 Ų52.328%0.27831%0.306SS..  trans119.6155.4-173.200000112.5V164V164-G167 PolarHBondContact O-N 3.36Å
168S61.6Low86.7Confident29 Ų2950.5 Ų50.520%0.20329%0.288CS..SBendtrans-85.7-1.8179.760.10000114.3D170 L171S168-D170 PolarHBondContact O-N 2.73Å; S168-L171 WeakPolarHBondContact O-CB 3.18Å; S168-L171 PolarHBondContact O-N 2.92Å
169S63.6Low86.7Confident96 Ų9650.4 Ų50.467%0.67129%0.287SS*.THydrogen-bonded Turntrans-59.1-23.8-169.5580000114.6
170D80.4Confident86.7Confident94 Ų9451.6 Ų51.650%0.50330%0.304SS..THydrogen-bonded Turntrans-95.6-1.8-176-61.1-17.3000113.1S168 L172 S173 V174S168-D170 PolarHBondContact O-N 2.73Å; D170-L172 PolarHBondContact O-N 3.43Å; D170-S173 WeakPolarHBondContact CA-OG 3.29Å; D170-S173 PolarHBondContact O-OG 2.88Å; D170-V174 HydrophobicContact CB-CG2 4.38Å; D170-V174 WeakPolarHBondContact O-CB 3.29Å; D170-V174 VanDerWaalsContact O-CG2 3.22Å; D170-V174 WeakPolarHBondContact O-CG2 3.43Å; D170-V174 PolarHBondContact O-N 3.21Å; D170-V174 VanDerWaalsContact O-N 3.08Å
171L90.1Very high86.7Confident1 Ų149.7 Ų49.71%0.00531%0.312CS..Hα-helixtrans-59.6-51.3-177.1-176.268.2000111.4L115 T141 I162 S168 V175 P208 D212 V216L115-L171 HydrophobicContact CD1-CD1 4.49Å; L115-L171 HydrophobicContact CD2-CD1 4.16Å; L115-L171 HydrophobicContact CD2-CD2 4.49Å; T141-L171 HydrophobicContact CG2-CD1 3.73Å; I162-L171 HydrophobicContact CD1-CD1 3.81Å; I162-L171 HydrophobicContact CG2-CD1 4.22Å; S168-L171 WeakPolarHBondContact O-CB 3.18Å; S168-L171 PolarHBondContact O-N 2.92Å; L171-V175 HydrophobicContact CD1-CG2 4.38Å; L171-V175 WeakPolarHBondContact O-CB 3.34Å; L171-V175 WeakPolarHBondContact O-CG2 3.2Å; L171-V175 PolarHBondContact O-N 3.02Å; L171-P208 HydrophobicContact CD2-CB 3.8Å; L171-P208 HydrophobicContact CD2-CG 4.37Å; L171-D212 HydrophobicContact CD2-CB 4.49Å; L171-V216 HydrophobicContact CG-CG1 4.4Å
172L92.6Very high86.7Confident57 Ų5755.7 Ų55.730%0.29834%0.343SS..Hα-helixtrans-64.5-46.3-176.9179.862.6000111.9D170 V175 L176 V216D170-L172 PolarHBondContact O-N 3.43Å; L172-V175 PolarHBondContact O-N 3.3Å; L172-L176 HydrophobicContact CD1-CD1 3.81Å; L172-L176 HydrophobicContact CD1-CG 4Å; L172-L176 HydrophobicContact CG-CD1 3.9Å; L172-L176 HydrophobicContact CG-CG 4.42Å; L172-L176 WeakPolarHBondContact O-CB 3.07Å; L172-L176 VanDerWaalsContact O-CG 3.24Å; L172-L176 WeakPolarHBondContact O-CG 3.48Å; L172-L176 PolarHBondContact O-N 3.48Å; L172-V216 HydrophobicContact CB-CG1 4.32Å; L172-V216 HydrophobicContact CD1-CB 4.47Å; L172-V216 HydrophobicContact CD1-CG1 3.7Å
173S92.8Very high86.9Confident66 Ų6655.9 Ų55.946%0.46235%0.346SS..Hα-helixtrans-62.8-46.2-177.654.70000111.6D170 L176 E177D170-S173 WeakPolarHBondContact CA-OG 3.29Å; D170-S173 PolarHBondContact O-OG 2.88Å; S173-L176 PolarHBondContact O-N 3.2Å; S173-E177 WeakPolarHBondContact O-CB 3.3Å; S173-E177 PolarHBondContact O-N 2.71Å
174V94Very high87.3Confident25 Ų2553.2 Ų53.215%0.15233%0.328CS..Hα-helixtrans-67.3-40.6179.9176.90000111.4R160 I162 D170 E177 E178R160-V174 HydrophobicContact CG-CG1 3.86Å; I162-V174 HydrophobicContact CD1-CB 4.32Å; I162-V174 HydrophobicContact CD1-CG1 3.98Å; I162-V174 HydrophobicContact CG1-CB 4.46Å; I162-V174 HydrophobicContact CG1-CG1 3.8Å; I162-V174 HydrophobicContact CG2-CB 4.44Å; I162-V174 HydrophobicContact CG2-CG1 4.49Å; D170-V174 HydrophobicContact CB-CG2 4.38Å; D170-V174 WeakPolarHBondContact O-CB 3.29Å; D170-V174 VanDerWaalsContact O-CG2 3.22Å; D170-V174 WeakPolarHBondContact O-CG2 3.43Å; D170-V174 PolarHBondContact O-N 3.21Å; D170-V174 VanDerWaalsContact O-N 3.08Å; V174-E177 PolarHBondContact O-N 3.39Å; V174-E178 WeakPolarHBondContact O-CB 3.44Å; V174-E178 WeakPolarHBondContact O-CG 3.28Å; V174-E178 PolarHBondContact O-N 2.85Å
175V95.9Very high88Confident0 Ų055.6 Ų55.60%034%0.341CS..Hα-helixtrans-63.5-44.5176.4170.40000110.8L115 L139 I162 L171 L172 E178 T179 V184 V216L115-V175 HydrophobicContact CD1-CG2 4.48Å; L115-V175 HydrophobicContact CD2-CG2 4.25Å; L139-V175 HydrophobicContact CD2-CG2 4.14Å; I162-V175 HydrophobicContact CD1-CG2 3.71Å; L171-V175 HydrophobicContact CD1-CG2 4.38Å; L171-V175 WeakPolarHBondContact O-CB 3.34Å; L171-V175 WeakPolarHBondContact O-CG2 3.2Å; L171-V175 PolarHBondContact O-N 3.02Å; L172-V175 PolarHBondContact O-N 3.3Å; V175-E178 PolarHBondContact O-N 2.8Å; V175-T179 HydrophobicContact CG1-CG2 4.28Å; V175-T179 WeakPolarHBondContact O-CB 3.45Å; V175-T179 VanDerWaalsContact O-CG2 3.25Å; V175-T179 WeakPolarHBondContact O-CG2 3.33Å; V175-T179 PolarHBondContact O-N 3.05Å; V175-T179 PolarHBondContact O-OG1 3.15Å; V175-V184 HydrophobicContact CG1-CG1 3.68Å; V175-V216 HydrophobicContact CB-CB 4.41Å; V175-V216 HydrophobicContact CB-CG1 3.99Å; V175-V216 HydrophobicContact CG1-CB 4.01Å; V175-V216 HydrophobicContact CG1-CG1 4.15Å; V175-V216 HydrophobicContact CG2-CG1 4.08Å
176L95.8Very high89Confident58 Ų5853.1 Ų53.130%0.30433%0.33SS..Hα-helixtrans-65.7-39.4178.4-68.9176.5000111.8L172 S173 T179 G180 G181L172-L176 HydrophobicContact CD1-CD1 3.81Å; L172-L176 HydrophobicContact CD1-CG 4Å; L172-L176 HydrophobicContact CG-CD1 3.9Å; L172-L176 HydrophobicContact CG-CG 4.42Å; L172-L176 WeakPolarHBondContact O-CB 3.07Å; L172-L176 VanDerWaalsContact O-CG 3.24Å; L172-L176 WeakPolarHBondContact O-CG 3.48Å; L172-L176 PolarHBondContact O-N 3.48Å; S173-L176 PolarHBondContact O-N 3.2Å; L176-T179 WeakPolarHBondContact CA-OG1 3.36Å; L176-T179 PolarHBondContact O-N 2.75Å; L176-T179 PolarHBondContact O-OG1 3.44Å; L176-G180 PolarHBondContact O-N 2.8Å; L176-G181 PolarHBondContact O-N 2.88Å
177E95.6Very high90.4Very high134 Ų13446 Ų4663%0.62629%0.292SS*.Hα-helixtrans-57.6-50.6174.1-175.7-174.8-165.800111.1R160 S173 V174 T179 G180R160-E177 IonicContact NH2-OE2 2.74Å; R160-E177 PolarHBondContact NH2-OE2 2.95Å; S173-E177 WeakPolarHBondContact O-CB 3.3Å; S173-E177 PolarHBondContact O-N 2.71Å; V174-E177 PolarHBondContact O-N 3.39Å; E177-T179 VanDerWaalsContact C-N 3.28Å; E177-T179 PolarHBondContact O-N 3.16Å; E177-G180 PolarHBondContact O-N 2.82Å
178E95.9Very high92Very high48 Ų4844.8 Ų44.822%0.22428%0.279CS..Hα-helixtrans-69-23.9-178.3-76.5-62.7153.900114.2K137 L139 R160 V174 V175K137-E178 PolarHBondContact NZ-O 2.66Å; K137-E178 IonicContact NZ-OE2 2.71Å; K137-E178 PolarHBondContact NZ-OE2 2.93Å; L139-E178 HydrophobicContact CD2-CB 3.77Å; L139-E178 HydrophobicContact CD2-CG 4.13Å; R160-E178 HydrophobicContact CB-CG 3.92Å; R160-E178 WeakPolarHBondContact CD-OE1 3.13Å; R160-E178 HydrophobicContact CG-CG 3.88Å; R160-E178 IonicContact CZ-OE1 3.22Å; R160-E178 IonicContact NE-OE1 3.83Å; R160-E178 PolarHBondContact NE-OE1 2.81Å; R160-E178 IonicContact NH1-OE1 3.01Å; R160-E178 IonicContact NH2-OE1 3.46Å; V174-E178 WeakPolarHBondContact O-CB 3.44Å; V174-E178 WeakPolarHBondContact O-CG 3.28Å; V174-E178 PolarHBondContact O-N 2.85Å; V175-E178 PolarHBondContact O-N 2.8Å
179T96.4Very high93.5Very high17 Ų1743.5 Ų43.510%0.10427%0.269CS..Hα-helixtrans-103.34.4-178.159.10000113T113 V175 L176 E177 G181 L182 G183 V184T113-T179 HydrophobicContact CG2-CG2 4.02Å; V175-T179 HydrophobicContact CG1-CG2 4.28Å; V175-T179 WeakPolarHBondContact O-CB 3.45Å; V175-T179 VanDerWaalsContact O-CG2 3.25Å; V175-T179 WeakPolarHBondContact O-CG2 3.33Å; V175-T179 PolarHBondContact O-N 3.05Å; V175-T179 PolarHBondContact O-OG1 3.15Å; L176-T179 WeakPolarHBondContact CA-OG1 3.36Å; L176-T179 PolarHBondContact O-N 2.75Å; L176-T179 PolarHBondContact O-OG1 3.44Å; E177-T179 VanDerWaalsContact C-N 3.28Å; E177-T179 PolarHBondContact O-N 3.16Å; T179-G181 PolarHBondContact O-N 3.07Å; T179-L182 WeakPolarHBondContact O-CB 3.38Å; T179-L182 WeakPolarHBondContact O-CG 3.47Å; T179-L182 PolarHBondContact O-N 3.16Å; T179-G183 WeakPolarHBondContact CB-O 3.32Å; T179-G183 WeakPolarHBondContact CG2-O 3.45Å; T179-G183 PolarHBondContact OG1-N 2.9Å; T179-V184 HydrophobicContact CG2-CG1 4.08Å
180G95.9Very high94.6Very high70 Ų7039.9 Ų39.972%0.72224%0.244SC*.THydrogen-bonded Turntrans64.229.3-176.800000113.3L176 E177L176-G180 PolarHBondContact O-N 2.8Å; E177-G180 PolarHBondContact O-N 2.82Å
181G95.8Very high94.7Very high50 Ų5036.2 Ų36.252%0.51523%0.228SC..THydrogen-bonded Turntrans84.85.2179.400000115L176 T179L176-G181 PolarHBondContact O-N 2.88Å; T179-G181 PolarHBondContact O-N 3.07Å
182L95.7Very high94.2Very high138 Ų13836.3 Ų36.372%0.72323%0.229SC*.SBendtrans-84.1-28.5-176.5-61.2177.1000113.4T179 G218T179-L182 WeakPolarHBondContact O-CB 3.38Å; T179-L182 WeakPolarHBondContact O-CG 3.47Å; T179-L182 PolarHBondContact O-N 3.16Å; L182-G218 VanDerWaalsContact O-CA 3.28Å; L182-G218 WeakPolarHBondContact O-CA 3.45Å
183G97.1Very high93.7Very high6 Ų634 Ų346%0.06222%0.218CC..  trans83.7-174.8-167.500000112.4T179 V216T179-G183 WeakPolarHBondContact CB-O 3.32Å; T179-G183 WeakPolarHBondContact CG2-O 3.45Å; T179-G183 PolarHBondContact OG1-N 2.9Å; G183-V216 CarbonylContact C-O 3.44Å; G183-V216 WeakPolarHBondContact CA-O 3.5Å
184V98.4Very high93.1Very high0 Ų031.7 Ų31.70%020%0.2CC..EExtended strand (participates in β ladder)trans-104.2147.7-178.6-61.80000112T113 L115 V175 T179 V187 V216 G218T113-V184 HydrophobicContact CG2-CB 4.34Å; T113-V184 HydrophobicContact CG2-CG1 3.73Å; L115-V184 HydrophobicContact CB-CG1 4.28Å; L115-V184 HydrophobicContact CB-CG2 4.05Å; V175-V184 HydrophobicContact CG1-CG1 3.68Å; T179-V184 HydrophobicContact CG2-CG1 4.08Å; V184-V187 HydrophobicContact CG2-CG2 3.54Å; V184-V216 HydrophobicContact CG2-CG2 4.39Å; V184-V216 PolarHBondContact N-O 3.47Å; V184-G218 PolarHBondContact O-N 3.27Å
185D98.6Very high91.8Very high51 Ų5137.7 Ų37.727%0.27323%0.226SC..EExtended strand (participates in β ladder)trans-74.2-31.8176.9-56.1-64.5000111.6H112 T113 G221 H222H112-D185 VanDerWaalsContact CA-OD2 3.25Å; H112-D185 WeakPolarHBondContact CA-OD2 3.34Å; H112-D185 HydrophobicContact CB-CB 4.07Å; T113-D185 PolarHBondContact N-OD2 3.15Å; T113-D185 PolarHBondContact O-N 3.22Å; D185-G221 CarbonylContact O-C 3.58Å; D185-G221 VanDerWaalsContact O-CA 3.22Å; D185-G221 WeakPolarHBondContact O-CA 3.49Å; D185-H222 PolarHBondContact O-N 2.89Å
186I98.8Very high90.1Very high0 Ų040 Ų400%025%0.249CC..EExtended strand (participates in β ladder)trans-135.1135.6-175.9-53.3167.8000109.9A106 M108 T113 L114 L115 V188 H222A106-I186 HydrophobicContact CB-CB 4.43Å; A106-I186 HydrophobicContact CB-CD1 3.83Å; A106-I186 HydrophobicContact CB-CG1 4.02Å; A106-I186 HydrophobicContact CB-CG2 3.51Å; M108-I186 HydrophobicContact CB-CD1 3.86Å; M108-I186 HydrophobicContact CG-CD1 4.03Å; T113-I186 PolarHBondContact O-N 2.96Å; T113-I186 VanDerWaalsContact O-N 3.09Å; L114-I186 CarbonylContact C-O 3.6Å; L114-I186 WeakPolarHBondContact CA-O 3.33Å; L114-I186 HydrophobicContact CD1-CB 3.63Å; L114-I186 HydrophobicContact CD1-CG2 3.43Å; L114-I186 VanDerWaalsContact CD1-CG2 3.43Å; L115-I186 PolarHBondContact N-O 3.33Å; I186-V188 HydrophobicContact CG2-CG2 4.25Å; I186-H222 CarbonylContact C-O 3.57Å; I186-H222 VanDerWaalsContact CA-O 3.31Å; I186-H222 WeakPolarHBondContact CA-O 3.42Å
187V98.4Very high88.4Confident0 Ų038.7 Ų38.70%024%0.243CC..EExtended strand (participates in β ladder)trans-118.6126.6164.1-178.70000108.7L115 V184 I213 V216 L217 H222 V224L115-V187 HydrophobicContact CB-CG2 4.26Å; L115-V187 HydrophobicContact CD2-CG1 4.42Å; L115-V187 HydrophobicContact CD2-CG2 4.37Å; L115-V187 WeakPolarHBondContact O-CA 3.39Å; V184-V187 HydrophobicContact CG2-CG2 3.54Å; V187-I213 HydrophobicContact CB-CG2 4.27Å; V187-I213 HydrophobicContact CG1-CG2 3.88Å; V187-I213 HydrophobicContact CG2-CG2 4.41Å; V187-V216 HydrophobicContact CG2-CG2 3.92Å; V187-L217 HydrophobicContact CB-CD2 4.31Å; V187-L217 HydrophobicContact CG2-CD2 3.64Å; V187-L217 HydrophobicContact CG2-CG 4.26Å; V187-H222 PolarHBondContact N-O 2.92Å; V187-V224 PolarHBondContact O-N 3.23Å
188V98.3Very high86.5Confident1 Ų137.7 Ų37.71%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-109.5111.1167176.70000107.3A101 L102 L114 L115 M117 F123 I186 V224A101-V188 HydrophobicContact CB-CG1 4.47Å; A101-V188 HydrophobicContact CB-CG2 4.35Å; L102-V188 HydrophobicContact CD2-CG2 3.95Å; L114-V188 HydrophobicContact CD1-CG2 3.9Å; L115-V188 PolarHBondContact O-N 3.01Å; M117-V188 PolarHBondContact N-O 3.01Å; F123-V188 HydrophobicContact CE1-CG1 3.56Å; F123-V188 HydrophobicContact CZ-CG1 3.58Å; I186-V188 HydrophobicContact CG2-CG2 4.25Å; V188-V224 HydrophobicContact CG2-CB 4.32Å
189D94.3Very high84.4Confident1 Ų144.3 Ų44.31%0.00527%0.269CS..  trans-82.2164.3177.878.641.5000113.1M117 G191 V192 I213 W223 V224 T225 S226M117-D189 HydrophobicContact CG-CB 4.29Å; D189-G191 PolarHBondContact OD1-N 2.81Å; D189-V192 HydrophobicContact CB-CG2 3.75Å; D189-V192 VanDerWaalsContact OD2-CG2 3.23Å; D189-V192 WeakPolarHBondContact OD2-CG2 3.37Å; D189-I213 HydrophobicContact CB-CD1 4.34Å; D189-W223 PolarHBondContact OD2-NE1 3.33Å; D189-V224 PolarHBondContact N-O 3.07Å; D189-T225 WeakPolarHBondContact OD2-CA 3.42Å; D189-T225 WeakPolarHBondContact OD2-CB 3.02Å; D189-T225 PolarHBondContact OD2-OG1 3.47Å; D189-S226 PolarHBondContact OD1-N 2.81Å; D189-S226 PolarHBondContact OD1-OG 2.52Å
190S86.8Confident82.3Confident21 Ų2150 Ų5015%0.14729%0.294CS..SBendtrans-135.446172.7179.50000108.8M117M117-S190 WeakPolarHBondContact O-CB 3.22Å
191G81.6Confident80.5Confident16 Ų1652.9 Ų52.917%0.16529%0.289CS..  trans106.6146.8-16900000112.4D189 S226D189-G191 PolarHBondContact OD1-N 2.81Å; G191-S226 PolarHBondContact N-OG 3.1Å
192V80.4Confident78.7Confident4 Ų458.4 Ų58.42%0.02430%0.302CS..  trans-142.9137.9-177.4-178.60000108D189 L194 K210 I213 W223D189-V192 HydrophobicContact CB-CG2 3.75Å; D189-V192 VanDerWaalsContact OD2-CG2 3.23Å; D189-V192 WeakPolarHBondContact OD2-CG2 3.37Å; V192-L194 HydrophobicContact CG1-CD2 4.41Å; V192-K210 HydrophobicContact CG1-CB 3.73Å; V192-I213 HydrophobicContact CB-CD1 4.11Å; V192-I213 HydrophobicContact CG1-CD1 3.77Å; V192-I213 HydrophobicContact CG2-CD1 3.26Å; V192-W223 HydrophobicContact CG1-CZ2 4.42Å; V192-W223 HydrophobicContact CG2-CZ2 3.88Å
193C81.1Confident77.1Confident9 Ų957.4 Ų57.46%0.06130%0.297CS..BIsolated β-bridgetrans-81.1128.2173.3-178.30000109.8I204 L207 P208 H209 K210C193-I204 HydrophobicContact CB-CG2 4.23Å; C193-L207 HydrophobicContact CB-CB 4.25Å; C193-P208 PolarHBondContact N-O 3.03Å; C193-H209 PolarHBondContact O-CD2 3.35Å; C193-K210 PolarHBondContact O-N 2.83Å
194L80Confident75.4Confident16 Ų1658.5 Ų58.58%0.08430%0.301CS..  trans-102.8159.4171.2-46.2179.7000110.6V192 G196 D197 K210 H227 L230V192-L194 HydrophobicContact CG1-CD2 4.41Å; L194-G196 PolarHBondContact O-N 3.15Å; L194-G196 VanDerWaalsContact O-N 3.13Å; L194-D197 WeakPolarHBondContact CA-OD2 3.3Å; L194-D197 WeakPolarHBondContact CB-OD2 3.33Å; L194-D197 WeakPolarHBondContact CG-OD2 3.11Å; L194-D197 PolarHBondContact N-OD2 3.11Å; L194-D197 PolarHBondContact O-N 3.2Å; L194-D197 VanDerWaalsContact O-N 3.1Å; L194-K210 HydrophobicContact CD2-CB 4.32Å; L194-K210 HydrophobicContact CD2-CD 3.95Å; L194-K210 HydrophobicContact CD2-CG 4.47Å; L194-H227 VanDerWaalsContact CD1-CE1 3.44Å; L194-H227 WeakPolarHBondContact CD1-CE1 3.45Å; L194-L230 HydrophobicContact CD2-CD1 3.68Å
195H67.4Low73.7Confident152 Ų15264.8 Ų64.870%0.70433%0.328SS*.THydrogen-bonded Turntrans-64.9115.3177.2-168.568.4000110.2
196G59.8Low72.4Confident47 Ų4764.8 Ų64.849%0.48533%0.328SS..THydrogen-bonded Turntrans113.4-21-175.600000114.2L194 E198L194-G196 PolarHBondContact O-N 3.15Å; L194-G196 VanDerWaalsContact O-N 3.13Å; G196-E198 PolarHBondContact O-N 3.4Å
197D61.1Low71.6Confident32 Ų3266 Ų6617%0.17133%0.334CS..G310 helixtrans-77.4-7.4-178.2-54.9-15.2000112.7L194 E199 E200 I204L194-D197 WeakPolarHBondContact CA-OD2 3.3Å; L194-D197 WeakPolarHBondContact CB-OD2 3.33Å; L194-D197 WeakPolarHBondContact CG-OD2 3.11Å; L194-D197 PolarHBondContact N-OD2 3.11Å; L194-D197 PolarHBondContact O-N 3.2Å; L194-D197 VanDerWaalsContact O-N 3.1Å; D197-E199 PolarHBondContact O-N 2.96Å; D197-E199 VanDerWaalsContact O-N 3.12Å; D197-E200 PolarHBondContact O-N 2.94Å; D197-E200 VanDerWaalsContact O-N 3.09Å; D197-I204 HydrophobicContact CB-CG2 3.86Å
198E55.2Low71Confident112 Ų11266 Ų6652%0.52333%0.334SS..G310 helixtrans-63.2-18.8-177.1-62.1-177.3-172.100113.6G196 K205G196-E198 PolarHBondContact O-N 3.4Å; E198-K205 WeakPolarHBondContact O-CE 3.3Å
199E52.1Low70.5Confident187 Ų18768.1 Ų68.187%0.87434%0.344SS*.G310 helixtrans-90.2-12179.7-61.5-172.7177.800113.1D197D197-E199 PolarHBondContact O-N 2.96Å; D197-E199 VanDerWaalsContact O-N 3.12Å
200E52.2Low70.4Confident136 Ų13668.2 Ų68.264%0.63634%0.344SS*.THydrogen-bonded Turntrans-94.1-32.1-163-61.5-166.4162.500114.4D197 I204D197-E200 PolarHBondContact O-N 2.94Å; D197-E200 VanDerWaalsContact O-N 3.09Å; E200-I204 HydrophobicContact CB-CD1 4.22Å
201E58.2Low70.6Confident131 Ų13170.9 Ų70.961%0.61236%0.355SS*.  trans-165.6151179.6-103.9157.6-144.800114D203 I204E201-D203 VanDerWaalsContact C-N 3.34Å; E201-D203 PolarHBondContact O-N 2.78Å; E201-I204 HydrophobicContact CB-CD1 3.9Å; E201-I204 HydrophobicContact CB-CG1 4.01Å; E201-I204 PolarHBondContact O-N 2.94Å
202E58.3Low71.1Confident167 Ų16772 Ų7278%0.7836%0.357SS*.THydrogen-bonded Turntrans-64.4-33.8178-75.2-173.2168.500113.2I204 K205E202-I204 VanDerWaalsContact C-N 3.31Å; E202-I204 PolarHBondContact O-N 3.09Å; E202-K205 PolarHBondContact O-N 2.79Å
203D60.3Low71.8Confident117 Ų11771.8 Ų71.863%0.62636%0.356SS*.THydrogen-bonded Turntrans-69.7-26.7-179-78.1-20.4000112.8E201 K205 L206E201-D203 VanDerWaalsContact C-N 3.34Å; E201-D203 PolarHBondContact O-N 2.78Å; D203-K205 VanDerWaalsContact C-N 3.33Å; D203-L206 PolarHBondContact O-N 2.85Å
204I62.8Low72.5Confident29 Ų2971.4 Ų71.415%0.14935%0.353CS..G310 helixtrans-70.4-32.1179.2-61.8176.7000110.8C193 D197 E200 E201 E202 L206 L207C193-I204 HydrophobicContact CB-CG2 4.23Å; D197-I204 HydrophobicContact CB-CG2 3.86Å; E200-I204 HydrophobicContact CB-CD1 4.22Å; E201-I204 HydrophobicContact CB-CD1 3.9Å; E201-I204 HydrophobicContact CB-CG1 4.01Å; E201-I204 PolarHBondContact O-N 2.94Å; E202-I204 VanDerWaalsContact C-N 3.31Å; E202-I204 PolarHBondContact O-N 3.09Å; I204-L206 PolarHBondContact O-N 2.85Å; I204-L207 WeakPolarHBondContact O-CB 3.3Å; I204-L207 PolarHBondContact O-N 2.89Å
205K62.8Low73.2Confident132 Ų13271.6 Ų71.657%0.57436%0.356SS*.G310 helixtrans-65.7-18.5178.1-64.1-179.1-179.4175.90113.5E198 E202 D203E198-K205 WeakPolarHBondContact O-CE 3.3Å; E202-K205 PolarHBondContact O-N 2.79Å; D203-K205 VanDerWaalsContact C-N 3.33Å
206L71.1Confident74.6Confident50 Ų5064.4 Ų64.426%0.26232%0.322SS..G310 helixtrans-89.8-5.4177.2-61.3175.8000112.8D203 I204D203-L206 PolarHBondContact O-N 2.85Å; I204-L206 PolarHBondContact O-N 2.85Å
207L81.3Confident76.4Confident25 Ų2562.1 Ų62.113%0.13130%0.299CS..SBendtrans-86.1143.5176.3-58.1175.2000109.8C193 I204C193-L207 HydrophobicContact CB-CB 4.25Å; I204-L207 WeakPolarHBondContact O-CB 3.3Å; I204-L207 PolarHBondContact O-N 2.89Å
208P85.7Confident78.1Confident1 Ų160.9 Ų60.91%0.00629%0.293CS..PPolyproline II helixtrans-64.8152.317333.4-39.9000110.6M117 L171 C193 D212 I213M117-P208 HydrophobicContact CE-CB 4.36Å; M117-P208 VanDerWaalsContact CE-CD 3.46Å; M117-P208 HydrophobicContact CE-CG 3.38Å; M117-P208 HydrophobicContact SD-CG 4.4Å; L171-P208 HydrophobicContact CD2-CB 3.8Å; L171-P208 HydrophobicContact CD2-CG 4.37Å; C193-P208 PolarHBondContact N-O 3.03Å; P208-D212 HydrophobicContact CB-CB 4.38Å; P208-I213 HydrophobicContact CB-CG1 4.34Å; P208-I213 HydrophobicContact CG-CD1 3.96Å; P208-I213 HydrophobicContact CG-CG1 3.99Å
209H88.3Confident80.1Confident45 Ų4561.3 Ų61.321%0.20830%0.303CS..BIsolated β-bridgetrans-73.1149.6172.8-162.8-100.2000109.4C193 H211 D212 I213C193-H209 PolarHBondContact O-CD2 3.35Å; H209-H211 PolarHBondContact ND1-N 3.48Å; H209-H211 PolarHBondContact O-N 2.95Å; H209-D212 WeakPolarHBondContact CB-OD2 3.47Å; H209-D212 PolarHBondContact N-OD2 2.85Å; H209-D212 VanDerWaalsContact N-OD2 3.17Å; H209-D212 WeakPolarHBondContact O-CB 3.41Å; H209-D212 PolarHBondContact O-N 2.8Å; H209-I213 PolarHBondContact O-N 2.89Å
210K91.4Very high82.3Confident3 Ų353.9 Ų53.91%0.01328%0.277CS..Hα-helixtrans-50.8-34.9175.962.6-179.9175.4-174.50112.8V192 C193 L194 D212 I213 I214 W223 Q231 D233 D236V192-K210 HydrophobicContact CG1-CB 3.73Å; C193-K210 PolarHBondContact O-N 2.83Å; L194-K210 HydrophobicContact CD2-CB 4.32Å; L194-K210 HydrophobicContact CD2-CD 3.95Å; L194-K210 HydrophobicContact CD2-CG 4.47Å; K210-D212 VanDerWaalsContact C-N 3.35Å; K210-D212 PolarHBondContact O-N 3.3Å; K210-I213 PolarHBondContact O-N 2.94Å; K210-I214 VanDerWaalsContact O-CG1 3.29Å; K210-I214 WeakPolarHBondContact O-CG1 3.3Å; K210-I214 PolarHBondContact O-N 2.91Å; K210-W223 HydrophobicContact CB-CH2 4.02Å; K210-Q231 VanDerWaalsContact CD-O 3.27Å; K210-Q231 WeakPolarHBondContact CD-O 3.44Å; K210-Q231 PolarHBondContact NZ-O 3.06Å; K210-D233 WeakPolarHBondContact CE-OD2 3.28Å; K210-D233 VanDerWaalsContact NZ-CG 3.32Å; K210-D233 IonicContact NZ-OD1 2.79Å; K210-D233 IonicContact NZ-OD2 3.88Å; K210-D233 PolarHBondContact NZ-OD2 3.2Å; K210-D236 WeakPolarHBondContact CD-OD2 3.46Å; K210-D236 WeakPolarHBondContact CE-OD2 3.42Å; K210-D236 IonicContact NZ-OD2 3.83Å
211H92.1Very high84.4Confident78 Ų7847.4 Ų47.436%0.36125%0.247SC..Hα-helixtrans-63.9-38.8178.9-170.270.4000112.6H209 I214 S215 D236H209-H211 PolarHBondContact ND1-N 3.48Å; H209-H211 PolarHBondContact O-N 2.95Å; H211-I214 PolarHBondContact O-N 2.95Å; H211-S215 VanDerWaalsContact O-CB 3.29Å; H211-S215 WeakPolarHBondContact O-CB 3.37Å; H211-S215 PolarHBondContact O-N 3.27Å; H211-S215 PolarHBondContact O-OG 3.41Å; H211-D236 IonicContact CG-OD1 3.87Å; H211-D236 IonicContact ND1-OD1 2.66Å; H211-D236 PolarHBondContact ND1-OD1 3.5Å
212D91.8Very high86.3Confident39 Ų3943.8 Ų43.821%0.20923%0.23CC..Hα-helixtrans-66.3-42.5178.1-57.1-38.3000110.2L171 P208 H209 K210 I214 S215 V216L171-D212 HydrophobicContact CD2-CB 4.49Å; P208-D212 HydrophobicContact CB-CB 4.38Å; H209-D212 WeakPolarHBondContact CB-OD2 3.47Å; H209-D212 PolarHBondContact N-OD2 2.85Å; H209-D212 VanDerWaalsContact N-OD2 3.17Å; H209-D212 WeakPolarHBondContact O-CB 3.41Å; H209-D212 PolarHBondContact O-N 2.8Å; K210-D212 VanDerWaalsContact C-N 3.35Å; K210-D212 PolarHBondContact O-N 3.3Å; D212-I214 PolarHBondContact O-N 2.71Å; D212-S215 WeakPolarHBondContact O-CB 3.47Å; D212-S215 PolarHBondContact O-N 2.7Å; D212-V216 WeakPolarHBondContact O-CG1 3.41Å; D212-V216 PolarHBondContact O-N 2.72Å
213I94.1Very high88.2Confident0 Ų035.9 Ų35.90%019%0.193CC..Hα-helixtrans-60-46.1176.5-67.5175.2000111.1V187 D189 V192 P208 H209 K210 S215 V216 W223V187-I213 HydrophobicContact CB-CG2 4.27Å; V187-I213 HydrophobicContact CG1-CG2 3.88Å; V187-I213 HydrophobicContact CG2-CG2 4.41Å; D189-I213 HydrophobicContact CB-CD1 4.34Å; V192-I213 HydrophobicContact CB-CD1 4.11Å; V192-I213 HydrophobicContact CG1-CD1 3.77Å; V192-I213 HydrophobicContact CG2-CD1 3.26Å; P208-I213 HydrophobicContact CB-CG1 4.34Å; P208-I213 HydrophobicContact CG-CD1 3.96Å; P208-I213 HydrophobicContact CG-CG1 3.99Å; H209-I213 PolarHBondContact O-N 2.89Å; K210-I213 PolarHBondContact O-N 2.94Å; I213-S215 VanDerWaalsContact C-N 3.27Å; I213-S215 PolarHBondContact O-N 2.86Å; I213-V216 WeakPolarHBondContact O-CG2 3.49Å; I213-V216 PolarHBondContact O-N 2.92Å; I213-W223 HydrophobicContact CD1-CZ2 4.2Å; I213-W223 HydrophobicContact CG2-CD2 3.6Å; I213-W223 HydrophobicContact CG2-CE3 4.06Å; I213-W223 HydrophobicContact CG2-CG 3.82Å; I213-W223 HydrophobicContact CG2-CZ2 4.26Å
214I96.1Very high90Very high0 Ų030.3 Ų30.30%016%0.163CC..Hα-helixtrans-68-34.4179.1-61.3167.5000110.5K210 H211 D212 L217 W223 L232 D236 L239 L240 K243K210-I214 VanDerWaalsContact O-CG1 3.29Å; K210-I214 WeakPolarHBondContact O-CG1 3.3Å; K210-I214 PolarHBondContact O-N 2.91Å; H211-I214 PolarHBondContact O-N 2.95Å; D212-I214 PolarHBondContact O-N 2.71Å; I214-L217 PolarHBondContact O-N 2.95Å; I214-W223 HydrophobicContact CD1-CZ3 4.03Å; I214-W223 HydrophobicContact CG1-CE3 3.96Å; I214-W223 HydrophobicContact CG1-CZ3 3.79Å; I214-L232 HydrophobicContact CD1-CD2 4.05Å; I214-D236 HydrophobicContact CD1-CB 3.55Å; I214-L239 HydrophobicContact CB-CD2 4.2Å; I214-L239 HydrophobicContact CG2-CB 3.92Å; I214-L239 HydrophobicContact CG2-CD2 3.62Å; I214-L239 HydrophobicContact CG2-CG 3.68Å; I214-L240 HydrophobicContact CD1-CD1 4.21Å; I214-L240 HydrophobicContact CD1-CG 4.2Å; I214-L240 HydrophobicContact CG1-CD2 4.2Å; I214-L240 HydrophobicContact CG1-CG 4.29Å; I214-L240 HydrophobicContact CG2-CD2 3.8Å; I214-L240 HydrophobicContact CG2-CG 3.75Å; I214-K243 VanDerWaalsContact O-CE 3.31Å; I214-K243 WeakPolarHBondContact O-CE 3.24Å
215S95.5Very high91.6Very high21 Ų2129 Ų2915%0.14716%0.156CC..Hα-helixtrans-66.4-38.3180-65.30000112.6H211 D212 I213 L217 K243H211-S215 VanDerWaalsContact O-CB 3.29Å; H211-S215 WeakPolarHBondContact O-CB 3.37Å; H211-S215 PolarHBondContact O-N 3.27Å; H211-S215 PolarHBondContact O-OG 3.41Å; D212-S215 WeakPolarHBondContact O-CB 3.47Å; D212-S215 PolarHBondContact O-N 2.7Å; I213-S215 VanDerWaalsContact C-N 3.27Å; I213-S215 PolarHBondContact O-N 2.86Å; S215-L217 VanDerWaalsContact C-N 3.28Å; S215-L217 PolarHBondContact O-N 3.31Å; S215-K243 PolarHBondContact O-NZ 3.42Å
216V96.5Very high92.9Very high0 Ų025.1 Ų25.10%015%0.146CC..Hα-helixtrans-71.9-17.1178.2-64.90000114.1L115 L171 L172 V175 G183 V184 V187 D212 I213L115-V216 HydrophobicContact CD2-CG2 4.03Å; L171-V216 HydrophobicContact CG-CG1 4.4Å; L172-V216 HydrophobicContact CB-CG1 4.32Å; L172-V216 HydrophobicContact CD1-CB 4.47Å; L172-V216 HydrophobicContact CD1-CG1 3.7Å; V175-V216 HydrophobicContact CB-CB 4.41Å; V175-V216 HydrophobicContact CB-CG1 3.99Å; V175-V216 HydrophobicContact CG1-CB 4.01Å; V175-V216 HydrophobicContact CG1-CG1 4.15Å; V175-V216 HydrophobicContact CG2-CG1 4.08Å; G183-V216 CarbonylContact C-O 3.44Å; G183-V216 WeakPolarHBondContact CA-O 3.5Å; V184-V216 HydrophobicContact CG2-CG2 4.39Å; V184-V216 PolarHBondContact N-O 3.47Å; V187-V216 HydrophobicContact CG2-CG2 3.92Å; D212-V216 WeakPolarHBondContact O-CG1 3.41Å; D212-V216 PolarHBondContact O-N 2.72Å; I213-V216 WeakPolarHBondContact O-CG2 3.49Å; I213-V216 PolarHBondContact O-N 2.92Å
217L97.9Very high93.8Very high0 Ų025.1 Ų25.10%014%0.144CC..EExtended strand (participates in β ladder)trans-65.7138.8179.1-70.2167000111.5V187 I214 S215 W223 L240 K243 A245V187-L217 HydrophobicContact CB-CD2 4.31Å; V187-L217 HydrophobicContact CG2-CD2 3.64Å; V187-L217 HydrophobicContact CG2-CG 4.26Å; I214-L217 PolarHBondContact O-N 2.95Å; S215-L217 VanDerWaalsContact C-N 3.28Å; S215-L217 PolarHBondContact O-N 3.31Å; L217-W223 HydrophobicContact CD1-CB 4.08Å; L217-L240 HydrophobicContact CD1-CD2 4.1Å; L217-K243 HydrophobicContact CB-CD 4.27Å; L217-K243 WeakPolarHBondContact O-CD 3.4Å; L217-K243 WeakPolarHBondContact O-CE 3.44Å; L217-K243 PolarHBondContact O-NZ 2.95Å; L217-A245 HydrophobicContact CD1-CB 4.08Å
218G97.4Very high94.1Very high5 Ų529.7 Ų29.75%0.05216%0.163CC..EExtended strand (participates in β ladder)trans-76.2-178.316700000112.7L182 V184 G220 G221L182-G218 VanDerWaalsContact O-CA 3.28Å; L182-G218 WeakPolarHBondContact O-CA 3.45Å; V184-G218 PolarHBondContact O-N 3.27Å; G218-G220 PolarHBondContact O-N 3.2Å; G218-G221 PolarHBondContact O-N 2.82Å; G218-G221 VanDerWaalsContact O-N 3.15Å
219V96.9Very high94.1Very high121 Ų12135.1 Ų35.173%0.73319%0.192SC*.EExtended strand (participates in β ladder)trans-66.7129172.6177.90000109.2G221 K243V219-G221 VanDerWaalsContact C-N 3.26Å; V219-K243 CarbonylContact C-O 3.51Å; V219-K243 VanDerWaalsContact CA-O 3.3Å; V219-K243 WeakPolarHBondContact CA-O 3.35Å
220G96.8Very high94.3Very high31 Ų3134 Ų3432%0.3219%0.188SC..EExtended strand (participates in β ladder)trans76.610-174.800000114G218 H222 K243G218-G220 PolarHBondContact O-N 3.2Å; G220-H222 PolarHBondContact O-NE2 2.99Å; G220-K243 PolarHBondContact N-O 3.28Å
221G97.6Very high94.3Very high0 Ų039.8 Ų39.80%022%0.215CC..EExtended strand (participates in β ladder)trans-62.6151-174.300000114.3D185 G218 V219 A245 S246D185-G221 CarbonylContact O-C 3.58Å; D185-G221 VanDerWaalsContact O-CA 3.22Å; D185-G221 WeakPolarHBondContact O-CA 3.49Å; G218-G221 PolarHBondContact O-N 2.82Å; G218-G221 VanDerWaalsContact O-N 3.15Å; V219-G221 VanDerWaalsContact C-N 3.26Å; G221-A245 CarbonylContact O-C 3.54Å; G221-A245 WeakPolarHBondContact O-CA 3.34Å; G221-A245 VanDerWaalsContact O-CB 3.29Å; G221-A245 WeakPolarHBondContact O-CB 3.44Å; G221-S246 PolarHBondContact O-N 3.03Å
222H98.3Very high94.3Very high55 Ų5538.8 Ų38.826%0.25521%0.212SC..EExtended strand (participates in β ladder)trans-115.7117.2179.8-59.8-73.6000110.7A106 D185 I186 V187 G220 S246A106-H222 HydrophobicContact CB-CB 4.4Å; D185-H222 PolarHBondContact O-N 2.89Å; I186-H222 CarbonylContact C-O 3.57Å; I186-H222 VanDerWaalsContact CA-O 3.31Å; I186-H222 WeakPolarHBondContact CA-O 3.42Å; V187-H222 PolarHBondContact N-O 2.92Å; G220-H222 PolarHBondContact O-NE2 2.99Å; H222-S246 PolarHBondContact ND1-OG 3.49Å
223W98.3Very high94.3Very high1 Ų139.1 Ų39.10%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-98.4117.5170.3173.721.7000110.1D189 V192 K210 I213 I214 L217 L230 L232 S246 V247 S248D189-W223 PolarHBondContact OD2-NE1 3.33Å; V192-W223 HydrophobicContact CG1-CZ2 4.42Å; V192-W223 HydrophobicContact CG2-CZ2 3.88Å; K210-W223 HydrophobicContact CB-CH2 4.02Å; I213-W223 HydrophobicContact CD1-CZ2 4.2Å; I213-W223 HydrophobicContact CG2-CD2 3.6Å; I213-W223 HydrophobicContact CG2-CE3 4.06Å; I213-W223 HydrophobicContact CG2-CG 3.82Å; I213-W223 HydrophobicContact CG2-CZ2 4.26Å; I214-W223 HydrophobicContact CD1-CZ3 4.03Å; I214-W223 HydrophobicContact CG1-CE3 3.96Å; I214-W223 HydrophobicContact CG1-CZ3 3.79Å; L217-W223 HydrophobicContact CD1-CB 4.08Å; W223-L230 HydrophobicContact CE3-CD2 4.46Å; W223-L230 HydrophobicContact CH2-CD1 3.57Å; W223-L230 HydrophobicContact CH2-CD2 3.41Å; W223-L230 VanDerWaalsContact CH2-CD2 3.41Å; W223-L230 HydrophobicContact CH2-CG 4.13Å; W223-L230 HydrophobicContact CZ2-CD1 4.15Å; W223-L230 HydrophobicContact CZ2-CD2 3.86Å; W223-L230 HydrophobicContact CZ3-CD1 4.46Å; W223-L230 HydrophobicContact CZ3-CD2 3.75Å; W223-L232 HydrophobicContact CZ3-CD2 4.07Å; W223-S246 PolarHBondContact N-O 3.48Å; W223-V247 HydrophobicContact CB-CG2 4.4Å; W223-V247 HydrophobicContact CD2-CG1 4.19Å; W223-V247 HydrophobicContact CD2-CG2 4.35Å; W223-V247 HydrophobicContact CE3-CG1 4.09Å; W223-V247 HydrophobicContact CE3-CG2 3.65Å; W223-V247 HydrophobicContact CG-CG1 4.5Å; W223-V247 HydrophobicContact CZ3-CG2 4.32Å; W223-V247 CarbonylContact O-C 3.51Å; W223-V247 VanDerWaalsContact O-CA 3.29Å; W223-V247 WeakPolarHBondContact O-CA 3.46Å; W223-S248 PolarHBondContact O-N 3.07Å
224V98.2Very high94.4Very high1 Ų144.2 Ų44.21%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-98.7114.7171.7-174.90000108.5A101 H105 A106 V187 V188 D189 S248 L250A101-V224 HydrophobicContact CB-CG1 4Å; H105-V224 HydrophobicContact CB-CG1 4.34Å; H105-V224 HydrophobicContact CB-CG2 3.86Å; A106-V224 HydrophobicContact CB-CG2 3.93Å; V187-V224 PolarHBondContact O-N 3.23Å; V188-V224 HydrophobicContact CG2-CB 4.32Å; D189-V224 PolarHBondContact N-O 3.07Å; V224-S248 CarbonylContact C-O 3.59Å; V224-S248 WeakPolarHBondContact CA-O 3.29Å; V224-L250 HydrophobicContact CG1-CB 3.88Å
225T96.3Very high94.3Very high1 Ų148.1 Ų48.11%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-108.3138.9-176.7-169.70000113.5D189 H227 L230 V247 S248 F249 L250D189-T225 WeakPolarHBondContact OD2-CA 3.42Å; D189-T225 WeakPolarHBondContact OD2-CB 3.02Å; D189-T225 PolarHBondContact OD2-OG1 3.47Å; T225-H227 WeakPolarHBondContact OG1-CB 3.23Å; T225-H227 PolarHBondContact OG1-N 3.32Å; T225-L230 HydrophobicContact CG2-CD2 4.05Å; T225-V247 HydrophobicContact CG2-CG1 4.07Å; T225-S248 PolarHBondContact N-O 3.33Å; T225-F249 HydrophobicContact CG2-CD1 3.64Å; T225-F249 HydrophobicContact CG2-CE1 3.83Å; T225-F249 HydrophobicContact CG2-CG 4.1Å; T225-F249 HydrophobicContact CG2-CZ 4.42Å; T225-L250 PolarHBondContact O-N 3.35Å
226S89.5Confident94.3Very high51 Ų5147.5 Ų47.536%0.35727%0.267SS..  trans-87.8-916860.30000112.6D189 G191 K228D189-S226 PolarHBondContact OD1-N 2.81Å; D189-S226 PolarHBondContact OD1-OG 2.52Å; G191-S226 PolarHBondContact N-OG 3.1Å; S226-K228 PolarHBondContact O-N 2.94Å
227H90Very high94.3Very high49 Ų4950.2 Ų50.223%0.22729%0.286CS..  trans-80.9107.6-176.7-162.9-68.9000111.3L194 T225 N229 L230 F249L194-H227 VanDerWaalsContact CD1-CE1 3.44Å; L194-H227 WeakPolarHBondContact CD1-CE1 3.45Å; T225-H227 WeakPolarHBondContact OG1-CB 3.23Å; T225-H227 PolarHBondContact OG1-N 3.32Å; H227-N229 PolarHBondContact ND1-N 3.36Å; H227-N229 PolarHBondContact O-N 3.46Å; H227-L230 PolarHBondContact ND1-N 2.8Å; H227-F249 WeakPolarHBondContact O-CD1 3.13Å; H227-F249 VanDerWaalsContact O-CE1 3.3Å; H227-F249 WeakPolarHBondContact O-CE1 3.28Å
228K86.8Confident94.2Very high121 Ų12158.8 Ų58.853%0.52632%0.318SS..THydrogen-bonded Turntrans-64.6-38.8-172.7-59.3178.5-169.4157.10114.5D12 S226D12-K228 IonicContact OD1-NZ 2.78Å; D12-K228 PolarHBondContact OD1-NZ 2.95Å; D12-K228 VanDerWaalsContact OD1-NZ 3.1Å; D12-K228 VanDerWaalsContact OD2-CE 3.28Å; D12-K228 WeakPolarHBondContact OD2-CE 3.32Å; D12-K228 IonicContact OD2-NZ 3.16Å; D12-K228 PolarHBondContact OD2-NZ 2.91Å; S226-K228 PolarHBondContact O-N 2.94Å
229N87.1Confident94.2Very high115 Ų11560.5 Ų60.562%0.61533%0.326SS*.THydrogen-bonded Turntrans-105.443.1-175.9-55.2-40.7000110.6H227 Q231H227-N229 PolarHBondContact ND1-N 3.36Å; H227-N229 PolarHBondContact O-N 3.46Å; N229-Q231 PolarHBondContact O-N 2.57Å
230L91.8Very high94.2Very high21 Ų2155.4 Ų55.411%0.1129%0.294CS..  trans-62.8120.7-178.8177.765.3000110.4L194 W223 T225 H227 L232 V247 F249L194-L230 HydrophobicContact CD2-CD1 3.68Å; W223-L230 HydrophobicContact CE3-CD2 4.46Å; W223-L230 HydrophobicContact CH2-CD1 3.57Å; W223-L230 HydrophobicContact CH2-CD2 3.41Å; W223-L230 VanDerWaalsContact CH2-CD2 3.41Å; W223-L230 HydrophobicContact CH2-CG 4.13Å; W223-L230 HydrophobicContact CZ2-CD1 4.15Å; W223-L230 HydrophobicContact CZ2-CD2 3.86Å; W223-L230 HydrophobicContact CZ3-CD1 4.46Å; W223-L230 HydrophobicContact CZ3-CD2 3.75Å; T225-L230 HydrophobicContact CG2-CD2 4.05Å; H227-L230 PolarHBondContact ND1-N 2.8Å; L230-L232 HydrophobicContact CD2-CD2 4.11Å; L230-L232 HydrophobicContact CD2-CG 4.41Å; L230-L232 HydrophobicContact CG-CD2 4.25Å; L230-L232 HydrophobicContact CG-CG 4.43Å; L230-V247 HydrophobicContact CD2-CG1 3.87Å; L230-F249 HydrophobicContact CB-CE1 3.76Å; L230-F249 HydrophobicContact CB-CZ 4.02Å; L230-F249 HydrophobicContact CD2-CZ 4.46Å
231Q91.2Very high94.3Very high125 Ų12560.9 Ų60.958%0.58431%0.311SS*.  trans-99.6124.7172.3-177.1175.5-27.300110.4K210 N229 D233K210-Q231 VanDerWaalsContact CD-O 3.27Å; K210-Q231 WeakPolarHBondContact CD-O 3.44Å; K210-Q231 PolarHBondContact NZ-O 3.06Å; N229-Q231 PolarHBondContact O-N 2.57Å; Q231-D233 PolarHBondContact NE2-OD1 3.32Å
232L92.4Very high94.3Very high58 Ų5866.4 Ų66.430%0.30434%0.34SS..  trans-104.2120.7173.5-63.1175.8000109.7I214 W223 L230 D236 C237 L240 V247I214-L232 HydrophobicContact CD1-CD2 4.05Å; W223-L232 HydrophobicContact CZ3-CD2 4.07Å; L230-L232 HydrophobicContact CD2-CD2 4.11Å; L230-L232 HydrophobicContact CD2-CG 4.41Å; L230-L232 HydrophobicContact CG-CD2 4.25Å; L230-L232 HydrophobicContact CG-CG 4.43Å; L232-D236 HydrophobicContact CD2-CB 4.4Å; L232-C237 VanDerWaalsContact CB-SG 3.6Å; L232-L240 HydrophobicContact CD1-CD1 3.77Å; L232-L240 HydrophobicContact CD2-CD1 4.35Å; L232-V247 HydrophobicContact CD1-CG2 4.43Å
233D91.8Very high94.2Very high46 Ų4665.9 Ų65.925%0.24634%0.337CS..  trans-83.3161.1178.3-60.5-38.5000110.3K210 Q231 P235 D236 C237K210-D233 WeakPolarHBondContact CE-OD2 3.28Å; K210-D233 VanDerWaalsContact NZ-CG 3.32Å; K210-D233 IonicContact NZ-OD1 2.79Å; K210-D233 IonicContact NZ-OD2 3.88Å; K210-D233 PolarHBondContact NZ-OD2 3.2Å; Q231-D233 PolarHBondContact NE2-OD1 3.32Å; D233-P235 VanDerWaalsContact C-N 3.29Å; D233-P235 VanDerWaalsContact O-N 3.14Å; D233-D236 WeakPolarHBondContact O-CB 3.25Å; D233-D236 PolarHBondContact O-N 3.45Å; D233-C237 PolarHBondContact O-N 2.94Å
234P95.4Very high94.2Very high106 Ų10670.5 Ų70.569%0.68837%0.369SS*.Hα-helixtrans-50.8-38.4-178.6-26.834000115.4R238P234-R238 WeakPolarHBondContact O-CB 3.31Å; P234-R238 PolarHBondContact O-N 3.18Å
235P94Very high94.2Very high83 Ų8371.3 Ų71.354%0.53938%0.375SS..Hα-helixtrans-63.3-40.7174.3-2335.4000113.7D233 R238 L239D233-P235 VanDerWaalsContact C-N 3.29Å; D233-P235 VanDerWaalsContact O-N 3.14Å; P235-R238 WeakPolarHBondContact O-CB 3.47Å; P235-R238 PolarHBondContact O-N 3.36Å; P235-L239 PolarHBondContact O-N 3.41Å
236D95.5Very high94.3Very high7 Ų773.3 Ų73.34%0.03739%0.389CS..Hα-helixtrans-68.6-43.9179.5-67.4-31.9000111K210 H211 I214 L232 D233 R238 L239 L240K210-D236 WeakPolarHBondContact CD-OD2 3.46Å; K210-D236 WeakPolarHBondContact CE-OD2 3.42Å; K210-D236 IonicContact NZ-OD2 3.83Å; H211-D236 IonicContact CG-OD1 3.87Å; H211-D236 IonicContact ND1-OD1 2.66Å; H211-D236 PolarHBondContact ND1-OD1 3.5Å; I214-D236 HydrophobicContact CD1-CB 3.55Å; L232-D236 HydrophobicContact CD2-CB 4.4Å; D233-D236 WeakPolarHBondContact O-CB 3.25Å; D233-D236 PolarHBondContact O-N 3.45Å; D236-R238 VanDerWaalsContact C-N 3.27Å; D236-R238 PolarHBondContact O-N 2.97Å; D236-L239 PolarHBondContact O-N 3.31Å; D236-L239 VanDerWaalsContact O-N 3.14Å; D236-L240 PolarHBondContact O-N 3Å
237C96.6Very high94.7Very high58 Ų5872.8 Ų72.839%0.39238%0.384SS..Hα-helixtrans-57.3-42172.5-71.10000111.6L232 D233 H241L232-C237 VanDerWaalsContact CB-SG 3.6Å; D233-C237 PolarHBondContact O-N 2.94Å; C237-H241 WeakPolarHBondContact O-CB 3.49Å; C237-H241 PolarHBondContact O-N 3.37Å
238R97.3Very high95Very high180 Ų18071.9 Ų71.968%0.67938%0.383SS*.Hα-helixtrans-64.1-42176.2-177.1179.5179.1-175.9-0.6111.5P234 P235 D236 H241 L242P234-R238 WeakPolarHBondContact O-CB 3.31Å; P234-R238 PolarHBondContact O-N 3.18Å; P235-R238 WeakPolarHBondContact O-CB 3.47Å; P235-R238 PolarHBondContact O-N 3.36Å; D236-R238 VanDerWaalsContact C-N 3.27Å; D236-R238 PolarHBondContact O-N 2.97Å; R238-H241 PolarHBondContact O-N 2.98Å; R238-L242 HydrophobicContact CG-CD1 4.19Å; R238-L242 HydrophobicContact CG-CG 4.5Å; R238-L242 VanDerWaalsContact O-CG 3.29Å; R238-L242 WeakPolarHBondContact O-CG 3.25Å; R238-L242 PolarHBondContact O-N 3.38Å
239L96.6Very high95.4Very high40 Ų4071 Ų7121%0.20938%0.38CS..Hα-helixtrans-66.9-44179.7-172.959.9000111.7I214 P235 D236 H241 L242 K243I214-L239 HydrophobicContact CB-CD2 4.2Å; I214-L239 HydrophobicContact CG2-CB 3.92Å; I214-L239 HydrophobicContact CG2-CD2 3.62Å; I214-L239 HydrophobicContact CG2-CG 3.68Å; P235-L239 PolarHBondContact O-N 3.41Å; D236-L239 PolarHBondContact O-N 3.31Å; D236-L239 VanDerWaalsContact O-N 3.14Å; L239-H241 VanDerWaalsContact C-N 3.32Å; L239-H241 PolarHBondContact O-N 3.19Å; L239-L242 PolarHBondContact O-N 3.45Å; L239-K243 HydrophobicContact CD1-CD 4.45Å; L239-K243 HydrophobicContact CG-CD 4.39Å; L239-K243 WeakPolarHBondContact O-CG 3.34Å; L239-K243 PolarHBondContact O-N 3.23Å; L239-K243 VanDerWaalsContact O-N 3.07Å
240L97.4Very high95.8Very high14 Ų1466.4 Ų66.47%0.07336%0.355CS..Hα-helixtrans-57.2-46.4171.8-75.1168.7000111.3I214 L217 L232 D236 L242 K243 C244 A245 V247I214-L240 HydrophobicContact CD1-CD1 4.21Å; I214-L240 HydrophobicContact CD1-CG 4.2Å; I214-L240 HydrophobicContact CG1-CD2 4.2Å; I214-L240 HydrophobicContact CG1-CG 4.29Å; I214-L240 HydrophobicContact CG2-CD2 3.8Å; I214-L240 HydrophobicContact CG2-CG 3.75Å; L217-L240 HydrophobicContact CD1-CD2 4.1Å; L232-L240 HydrophobicContact CD1-CD1 3.77Å; L232-L240 HydrophobicContact CD2-CD1 4.35Å; D236-L240 PolarHBondContact O-N 3Å; L240-L242 PolarHBondContact O-N 3.41Å; L240-K243 CarbonylContact O-C 3.54Å; L240-K243 PolarHBondContact O-N 3.37Å; L240-C244 PolarHBondContact O-N 3.39Å; L240-A245 HydrophobicContact CD2-CB 3.7Å; L240-A245 PolarHBondContact O-N 2.99Å; L240-V247 HydrophobicContact CD1-CG2 3.79Å; L240-V247 HydrophobicContact CD2-CG2 4.07Å
241H97.9Very high95.7Very high146 Ų14668.2 Ų68.268%0.67637%0.365SS*.Hα-helixtrans-59.5-46.7178177.574.7000112.3C237 R238 L239 K243 C244C237-H241 WeakPolarHBondContact O-CB 3.49Å; C237-H241 PolarHBondContact O-N 3.37Å; R238-H241 PolarHBondContact O-N 2.98Å; L239-H241 VanDerWaalsContact C-N 3.32Å; L239-H241 PolarHBondContact O-N 3.19Å; H241-K243 PolarHBondContact O-N 3.36Å; H241-C244 PolarHBondContact O-N 3.02Å
242L97.6Very high95.6Very high116 Ų11664.8 Ų64.861%0.60735%0.353SS*.Hα-helixtrans-63.2-31.4179-73.4172.5000112.9R238 L239 L240 C244R238-L242 HydrophobicContact CG-CD1 4.19Å; R238-L242 HydrophobicContact CG-CG 4.5Å; R238-L242 VanDerWaalsContact O-CG 3.29Å; R238-L242 WeakPolarHBondContact O-CG 3.25Å; R238-L242 PolarHBondContact O-N 3.38Å; L239-L242 PolarHBondContact O-N 3.45Å; L240-L242 PolarHBondContact O-N 3.41Å; L242-C244 VanDerWaalsContact C-N 3.34Å
243K97.6Very high95.4Very high44 Ų4462.4 Ų62.419%0.19134%0.34CS..THydrogen-bonded Turntrans-85.9-5.1175.3-68.7173.5-179.7-80.50112.7I214 S215 L217 V219 G220 L239 L240 H241 A245I214-K243 VanDerWaalsContact O-CE 3.31Å; I214-K243 WeakPolarHBondContact O-CE 3.24Å; S215-K243 PolarHBondContact O-NZ 3.42Å; L217-K243 HydrophobicContact CB-CD 4.27Å; L217-K243 WeakPolarHBondContact O-CD 3.4Å; L217-K243 WeakPolarHBondContact O-CE 3.44Å; L217-K243 PolarHBondContact O-NZ 2.95Å; V219-K243 CarbonylContact C-O 3.51Å; V219-K243 VanDerWaalsContact CA-O 3.3Å; V219-K243 WeakPolarHBondContact CA-O 3.35Å; G220-K243 PolarHBondContact N-O 3.28Å; L239-K243 HydrophobicContact CD1-CD 4.45Å; L239-K243 HydrophobicContact CG-CD 4.39Å; L239-K243 WeakPolarHBondContact O-CG 3.34Å; L239-K243 PolarHBondContact O-N 3.23Å; L239-K243 VanDerWaalsContact O-N 3.07Å; L240-K243 CarbonylContact O-C 3.54Å; L240-K243 PolarHBondContact O-N 3.37Å; H241-K243 PolarHBondContact O-N 3.36Å; K243-A245 HydrophobicContact CB-CB 3.94Å; K243-A245 PolarHBondContact O-N 3.12Å; K243-A245 VanDerWaalsContact O-N 3.16Å
244C97.8Very high95.2Very high99 Ų9962.8 Ų62.867%0.66935%0.345SS*.THydrogen-bonded Turntrans5032.7-166.1-57.80000112.5L240 H241 L242L240-C244 PolarHBondContact O-N 3.39Å; H241-C244 PolarHBondContact O-N 3.02Å; L242-C244 VanDerWaalsContact C-N 3.34Å
245A97.9Very high95Very high17 Ų1759 Ų5914%0.1432%0.316CS..  trans-85.6160.2-176.900000111L217 G221 L240 K243L217-A245 HydrophobicContact CD1-CB 4.08Å; G221-A245 CarbonylContact O-C 3.54Å; G221-A245 WeakPolarHBondContact O-CA 3.34Å; G221-A245 VanDerWaalsContact O-CB 3.29Å; G221-A245 WeakPolarHBondContact O-CB 3.44Å; L240-A245 HydrophobicContact CD2-CB 3.7Å; L240-A245 PolarHBondContact O-N 2.99Å; K243-A245 HydrophobicContact CB-CB 3.94Å; K243-A245 PolarHBondContact O-N 3.12Å; K243-A245 VanDerWaalsContact O-N 3.16Å
246S97.6Very high94.6Very high44 Ų4455.6 Ų55.631%0.30829%0.294SS..EExtended strand (participates in β ladder)trans-128.5156.2-17968.10000111.6G221 H222 W223G221-S246 PolarHBondContact O-N 3.03Å; H222-S246 PolarHBondContact ND1-OG 3.49Å; W223-S246 PolarHBondContact N-O 3.48Å
247V97.8Very high94.1Very high39 Ų3958.2 Ų58.224%0.23631%0.31CS..EExtended strand (participates in β ladder)trans-121.4136.8174.2-173.90000109W223 T225 L230 L232 L240W223-V247 HydrophobicContact CB-CG2 4.4Å; W223-V247 HydrophobicContact CD2-CG1 4.19Å; W223-V247 HydrophobicContact CD2-CG2 4.35Å; W223-V247 HydrophobicContact CE3-CG1 4.09Å; W223-V247 HydrophobicContact CE3-CG2 3.65Å; W223-V247 HydrophobicContact CG-CG1 4.5Å; W223-V247 HydrophobicContact CZ3-CG2 4.32Å; W223-V247 CarbonylContact O-C 3.51Å; W223-V247 VanDerWaalsContact O-CA 3.29Å; W223-V247 WeakPolarHBondContact O-CA 3.46Å; T225-V247 HydrophobicContact CG2-CG1 4.07Å; L230-V247 HydrophobicContact CD2-CG1 3.87Å; L232-V247 HydrophobicContact CD1-CG2 4.43Å; L240-V247 HydrophobicContact CD1-CG2 3.79Å; L240-V247 HydrophobicContact CD2-CG2 4.07Å
248S97.3Very high93.4Very high31 Ų3158.4 Ų58.422%0.21731%0.312CS..EExtended strand (participates in β ladder)trans-129.7144.2176.2-740000110.7W223 V224 T225W223-S248 PolarHBondContact O-N 3.07Å; V224-S248 CarbonylContact C-O 3.59Å; V224-S248 WeakPolarHBondContact CA-O 3.29Å; T225-S248 PolarHBondContact N-O 3.33Å
249F95.6Very high92.7Very high103 Ų10353.8 Ų53.845%0.45231%0.308SS..EExtended strand (participates in β ladder)trans-99.4121.9179.6-66.2-97.6000110.3T225 H227 L230T225-F249 HydrophobicContact CG2-CD1 3.64Å; T225-F249 HydrophobicContact CG2-CE1 3.83Å; T225-F249 HydrophobicContact CG2-CG 4.1Å; T225-F249 HydrophobicContact CG2-CZ 4.42Å; H227-F249 WeakPolarHBondContact O-CD1 3.13Å; H227-F249 VanDerWaalsContact O-CE1 3.3Å; H227-F249 WeakPolarHBondContact O-CE1 3.28Å; L230-F249 HydrophobicContact CB-CE1 3.76Å; L230-F249 HydrophobicContact CB-CZ 4.02Å; L230-F249 HydrophobicContact CD2-CZ 4.46Å
250L94.5Very high92.2Very high18 Ų1855.4 Ų55.49%0.09433%0.327CS..  trans-85.7114.8175-177.466.6000109.4T100 A101 F123 V224 T225 P252T100-L250 HydrophobicContact CG2-CD1 3.89Å; A101-L250 HydrophobicContact CB-CD1 4.2Å; A101-L250 HydrophobicContact CB-CD2 4.07Å; F123-L250 HydrophobicContact CE1-CD2 4.47Å; F123-L250 HydrophobicContact CE2-CD2 3.92Å; F123-L250 HydrophobicContact CZ-CD2 3.6Å; V224-L250 HydrophobicContact CG1-CB 3.88Å; T225-L250 PolarHBondContact O-N 3.35Å; L250-P252 WeakPolarHBondContact O-CD 3.17Å
251N90.5Very high91.8Very high59 Ų5960.2 Ų60.232%0.31635%0.349SS..  trans-101.5110.1167.8178.53.4000109.5E253 V254N251-E253 PolarHBondContact O-N 3.42Å; N251-E253 VanDerWaalsContact O-N 3.1Å; N251-E253 WeakPolarHBondContact OD1-CB 3.08Å; N251-E253 PolarHBondContact OD1-N 2.7Å; N251-V254 HydrophobicContact CB-CB 4.23Å; N251-V254 WeakPolarHBondContact O-CB 3.49Å; N251-V254 WeakPolarHBondContact O-CG1 3.45Å; N251-V254 PolarHBondContact O-N 2.76Å
252P88.1Confident91.4Very high53 Ų5354.6 Ų54.634%0.34432%0.323SS..THydrogen-bonded Turntrans-57.2-24.1177.6-27.837.3000114.5R93 L250R93-P252 VanDerWaalsContact NH2-CB 3.29Å; L250-P252 WeakPolarHBondContact O-CD 3.17Å
253E88.4Confident91.2Very high7 Ų751.8 Ų51.83%0.03332%0.322CS..THydrogen-bonded Turntrans-96.81.9-174-53.4-55.7149.200113.4L15 R30 L58 R93 N251 W255 T256 T257L15-E253 HydrophobicContact CD2-CB 3.92Å; L15-E253 HydrophobicContact CD2-CG 3.67Å; R30-E253 IonicContact CZ-OE1 3.22Å; R30-E253 IonicContact CZ-OE2 3.7Å; R30-E253 IonicContact NH1-OE2 3.77Å; R30-E253 PolarHBondContact NH1-OE2 3.37Å; R30-E253 IonicContact NH2-OE1 3.91Å; R30-E253 PolarHBondContact NH2-OE1 3Å; R30-E253 IonicContact NH2-OE2 3.42Å; R30-E253 PolarHBondContact NH2-OE2 3.37Å; L58-E253 HydrophobicContact CD1-CG 4.5Å; R93-E253 IonicContact CZ-OE1 3.28Å; R93-E253 IonicContact NE-OE1 2.66Å; R93-E253 PolarHBondContact NE-OE1 2.88Å; R93-E253 IonicContact NH2-OE1 3.64Å; R93-E253 PolarHBondContact NH2-OE1 3.07Å; N251-E253 PolarHBondContact O-N 3.42Å; N251-E253 VanDerWaalsContact O-N 3.1Å; N251-E253 WeakPolarHBondContact OD1-CB 3.08Å; N251-E253 PolarHBondContact OD1-N 2.7Å; E253-W255 VanDerWaalsContact C-N 3.28Å; E253-W255 PolarHBondContact O-N 3.05Å; E253-T256 PolarHBondContact O-N 3.16Å; E253-T256 VanDerWaalsContact O-N 3.09Å; E253-T256 PolarHBondContact O-OG1 2.95Å; E253-T256 PolarHBondContact OE2-OG1 3.25Å; E253-T257 HydrophobicContact CB-CG2 4.01Å; E253-T257 WeakPolarHBondContact O-CB 3.02Å; E253-T257 VanDerWaalsContact O-CG2 3.3Å; E253-T257 WeakPolarHBondContact O-CG2 3.5Å; E253-T257 PolarHBondContact O-N 3.14Å; E253-T257 PolarHBondContact O-OG1 2.95Å
254V88.1Confident91.1Very high55 Ų5554.8 Ų54.833%0.33333%0.332SS..Hα-helixtrans-58.4-38.5-17068.60000113.1T100 N251 T257 S258T100-V254 HydrophobicContact CG2-CG1 4.42Å; N251-V254 HydrophobicContact CB-CB 4.23Å; N251-V254 WeakPolarHBondContact O-CB 3.49Å; N251-V254 WeakPolarHBondContact O-CG1 3.45Å; N251-V254 PolarHBondContact O-N 2.76Å; V254-T257 WeakPolarHBondContact CA-OG1 3.19Å; V254-T257 PolarHBondContact O-OG1 3.48Å; V254-S258 PolarHBondContact O-N 2.71Å
255W90.9Very high90.9Very high26 Ų2650.1 Ų50.110%0.09830%0.301CS..Hα-helixtrans-80.4-21.2-178.3-57107.2000113.6I96 T100 E253 Q261 R264 Y265 I268I96-W255 HydrophobicContact CG2-CG 4.43Å; T100-W255 HydrophobicContact CG2-CZ2 4.46Å; T100-W255 PolarHBondContact OG1-NE1 2.67Å; E253-W255 VanDerWaalsContact C-N 3.28Å; E253-W255 PolarHBondContact O-N 3.05Å; W255-Q261 HydrophobicContact CZ3-CB 3.82Å; W255-R264 HydrophobicContact CH2-CG 3.89Å; W255-R264 HydrophobicContact CZ3-CB 4.25Å; W255-R264 HydrophobicContact CZ3-CG 4.1Å; W255-Y265 HydrophobicContact CB-CD2 3.36Å; W255-Y265 HydrophobicContact CB-CE2 3.85Å; W255-Y265 HydrophobicContact CB-CG 4Å; W255-Y265 HydrophobicContact CD2-CD2 4.43Å; W255-Y265 AromaticContact CG-CD2 3.85Å; W255-Y265 HydrophobicContact CG-CD2 3.85Å; W255-I268 HydrophobicContact CD2-CD1 4.48Å; W255-I268 HydrophobicContact CH2-CD1 4.04Å; W255-I268 HydrophobicContact CZ2-CD1 3.58Å
256T86.1Confident90.8Very high11 Ų1150.7 Ų50.77%0.06730%0.301CS..Hα-helixtrans-98.6-5.3179.748.80000113V55 L58 E253V55-T256 HydrophobicContact CB-CG2 4.33Å; V55-T256 HydrophobicContact CG1-CG2 4.02Å; L58-T256 PolarHBondContact N-O 2.76Å; L58-T256 VanDerWaalsContact N-O 3.1Å; E253-T256 PolarHBondContact O-N 3.16Å; E253-T256 VanDerWaalsContact O-N 3.09Å; E253-T256 PolarHBondContact O-OG1 2.95Å; E253-T256 PolarHBondContact OE2-OG1 3.25Å
257T85.3Confident90.7Very high62 Ų6253.8 Ų53.838%0.3831%0.311SS..Hα-helixtrans-102.7-15.3175.448.70000113L58 E253 V254L58-T257 HydrophobicContact CB-CG2 3.89Å; L58-T257 HydrophobicContact CD2-CG2 3.4Å; L58-T257 HydrophobicContact CG-CG2 4.28Å; E253-T257 HydrophobicContact CB-CG2 4.01Å; E253-T257 WeakPolarHBondContact O-CB 3.02Å; E253-T257 VanDerWaalsContact O-CG2 3.3Å; E253-T257 WeakPolarHBondContact O-CG2 3.5Å; E253-T257 PolarHBondContact O-N 3.14Å; E253-T257 PolarHBondContact O-OG1 2.95Å; V254-T257 WeakPolarHBondContact CA-OG1 3.19Å; V254-T257 PolarHBondContact O-OG1 3.48Å
258S81.6Confident90.7Very high62 Ų6252 Ų5243%0.43430%0.299SS..  trans-139.6129.6179.2-172.70000112.2V254 A260V254-S258 PolarHBondContact O-N 2.71Å; S258-A260 VanDerWaalsContact C-N 3.32Å; S258-A260 WeakPolarHBondContact OG-CB 3.48Å; S258-A260 PolarHBondContact OG-N 3.48Å
259S82.3Confident90.6Very high83 Ų8350.5 Ų50.558%0.5829%0.289SS*.  trans-87.42.1173.757.60000113.7Q261 Q262S259-Q261 PolarHBondContact O-N 3.24Å; S259-Q262 PolarHBondContact O-N 3Å
260A85.9Confident90.7Very high75 Ų7551.1 Ų51.162%0.6229%0.292SS*.THydrogen-bonded Turntrans-59.8-24.3-173.300000113.9S258S258-A260 VanDerWaalsContact C-N 3.32Å; S258-A260 WeakPolarHBondContact OG-CB 3.48Å; S258-A260 PolarHBondContact OG-N 3.48Å
261Q88.3Confident90.8Very high114 Ų11451.5 Ų51.553%0.53329%0.294SS..THydrogen-bonded Turntrans-128.439.2-178.6-68.1-66.6-46.400111.4W255 S259 G263 R264 Y265W255-Q261 HydrophobicContact CZ3-CB 3.82Å; S259-Q261 PolarHBondContact O-N 3.24Å; Q261-G263 VanDerWaalsContact C-N 3.27Å; Q261-G263 PolarHBondContact O-N 3.17Å; Q261-R264 HydrophobicContact CB-CB 4.27Å; Q261-R264 WeakPolarHBondContact O-CA 3.29Å; Q261-R264 WeakPolarHBondContact O-CB 3.31Å; Q261-R264 PolarHBondContact O-N 3.36Å; Q261-Y265 PolarHBondContact O-N 3.07Å
262Q90.4Very high91.2Very high28 Ų2848.8 Ų48.813%0.13128%0.279CS..Hα-helixtrans-53.7-41-174.8-161.26523.100113.7Y74 S259 R264 Y265 L266Y74-Q262 HydrophobicContact CG-CG 4.39Å; Y74-Q262 PolarHBondContact O-NE2 3.22Å; S259-Q262 PolarHBondContact O-N 3Å; Q262-R264 VanDerWaalsContact C-N 3.31Å; Q262-R264 PolarHBondContact O-N 3.47Å; Q262-Y265 WeakPolarHBondContact O-CB 3.46Å; Q262-Y265 PolarHBondContact O-N 2.92Å; Q262-L266 PolarHBondContact O-N 3.43Å
263G93.9Very high91.6Very high57 Ų5746.3 Ų46.359%0.58826%0.263SS*.Hα-helixtrans-62.6-37.5177.300000113Q261 H267Q261-G263 VanDerWaalsContact C-N 3.27Å; Q261-G263 PolarHBondContact O-N 3.17Å; G263-H267 WeakPolarHBondContact O-CB 3.08Å; G263-H267 PolarHBondContact O-N 3.41Å
264R93.9Very high92Very high107 Ų10750.5 Ų50.540%0.40428%0.283SS..Hα-helixtrans-69.7-41.3175-177.2171.4174.9169.50.5111T104 W255 Q261 Q262 H267 I268T104-R264 PolarHBondContact OG1-NH2 3.01Å; W255-R264 HydrophobicContact CH2-CG 3.89Å; W255-R264 HydrophobicContact CZ3-CB 4.25Å; W255-R264 HydrophobicContact CZ3-CG 4.1Å; Q261-R264 HydrophobicContact CB-CB 4.27Å; Q261-R264 WeakPolarHBondContact O-CA 3.29Å; Q261-R264 WeakPolarHBondContact O-CB 3.31Å; Q261-R264 PolarHBondContact O-N 3.36Å; Q262-R264 VanDerWaalsContact C-N 3.31Å; Q262-R264 PolarHBondContact O-N 3.47Å; R264-H267 WeakPolarHBondContact O-CB 3.48Å; R264-H267 PolarHBondContact O-N 3.18Å; R264-I268 HydrophobicContact CG-CD1 4.13Å; R264-I268 VanDerWaalsContact O-CG1 3.27Å; R264-I268 WeakPolarHBondContact O-CG1 3.45Å; R264-I268 PolarHBondContact O-N 3.3Å
265Y95.1Very high92.4Very high1 Ų148.8 Ų48.80%0.00427%0.271CS..Hα-helixtrans-58.4-49.7174.4169.7-115.9000111.9Y75 I96 W255 Q261 Q262 H267 I268 L269Y75-Y265 AromaticContact CD1-CE1 3.98Å; Y75-Y265 HydrophobicContact CD1-CE1 3.98Å; I96-Y265 HydrophobicContact CD1-CE2 4.05Å; W255-Y265 HydrophobicContact CB-CD2 3.36Å; W255-Y265 HydrophobicContact CB-CE2 3.85Å; W255-Y265 HydrophobicContact CB-CG 4Å; W255-Y265 HydrophobicContact CD2-CD2 4.43Å; W255-Y265 AromaticContact CG-CD2 3.85Å; W255-Y265 HydrophobicContact CG-CD2 3.85Å; Q261-Y265 PolarHBondContact O-N 3.07Å; Q262-Y265 WeakPolarHBondContact O-CB 3.46Å; Q262-Y265 PolarHBondContact O-N 2.92Å; Y265-H267 VanDerWaalsContact C-N 3.28Å; Y265-H267 PolarHBondContact O-N 2.92Å; Y265-I268 PolarHBondContact O-N 3.33Å; Y265-I268 VanDerWaalsContact O-N 3.17Å; Y265-L269 HydrophobicContact CE1-CD2 4.28Å; Y265-L269 WeakPolarHBondContact O-CB 3.27Å; Y265-L269 PolarHBondContact O-N 3.4Å
266L95.4Very high92.7Very high30 Ų3048 Ų4816%0.15727%0.269CS..Hα-helixtrans-59.9-38.3176.9-78.3173.3000112.5Y74 L76 V77 Q262 L269 K270Y74-L266 HydrophobicContact CD1-CD1 4.28Å; Y74-L266 WeakPolarHBondContact O-CD2 3.47Å; Y74-L266 WeakPolarHBondContact O-CG 3.45Å; L76-L266 WeakPolarHBondContact O-CD2 3.42Å; V77-L266 HydrophobicContact CG1-CD2 4.07Å; Q262-L266 PolarHBondContact O-N 3.43Å; L266-L269 HydrophobicContact CD2-CD2 4.48Å; L266-L269 PolarHBondContact O-N 3.21Å; L266-K270 VanDerWaalsContact O-CB 3.26Å; L266-K270 WeakPolarHBondContact O-CB 3.41Å; L266-K270 PolarHBondContact O-N 3.33Å
267H96.1Very high93.1Very high109 Ų10949.3 Ų49.351%0.50528%0.278SS..Hα-helixtrans-62-47.7174.417770.5000112G263 R264 Y265 L269 K270 D271G263-H267 WeakPolarHBondContact O-CB 3.08Å; G263-H267 PolarHBondContact O-N 3.41Å; R264-H267 WeakPolarHBondContact O-CB 3.48Å; R264-H267 PolarHBondContact O-N 3.18Å; Y265-H267 VanDerWaalsContact C-N 3.28Å; Y265-H267 PolarHBondContact O-N 2.92Å; H267-L269 VanDerWaalsContact C-N 3.35Å; H267-L269 PolarHBondContact O-N 3.47Å; H267-K270 PolarHBondContact O-N 3.41Å; H267-D271 VanDerWaalsContact O-CB 3.27Å; H267-D271 WeakPolarHBondContact O-CB 3.39Å; H267-D271 PolarHBondContact O-N 3.04Å
268I96.5Very high93.6Very high0 Ų050.1 Ų50.10%029%0.291CS..Hα-helixtrans-59.9-48.4176.9-65.1168.1000110.2I96 Y99 W255 R264 Y265 K270 D271 I272I96-I268 HydrophobicContact CB-CG2 4.47Å; I96-I268 HydrophobicContact CG1-CG2 4.28Å; I96-I268 HydrophobicContact CG2-CG2 4.32Å; Y99-I268 HydrophobicContact CD1-CB 4.33Å; Y99-I268 HydrophobicContact CD1-CD1 3.82Å; Y99-I268 HydrophobicContact CD1-CG1 3.61Å; Y99-I268 HydrophobicContact CD1-CG2 3.85Å; Y99-I268 HydrophobicContact CD2-CG2 4.25Å; Y99-I268 HydrophobicContact CE1-CD1 3.99Å; Y99-I268 HydrophobicContact CE1-CG1 3.57Å; Y99-I268 HydrophobicContact CG-CG1 4.25Å; Y99-I268 HydrophobicContact CG-CG2 3.7Å; W255-I268 HydrophobicContact CD2-CD1 4.48Å; W255-I268 HydrophobicContact CH2-CD1 4.04Å; W255-I268 HydrophobicContact CZ2-CD1 3.58Å; R264-I268 HydrophobicContact CG-CD1 4.13Å; R264-I268 VanDerWaalsContact O-CG1 3.27Å; R264-I268 WeakPolarHBondContact O-CG1 3.45Å; R264-I268 PolarHBondContact O-N 3.3Å; Y265-I268 PolarHBondContact O-N 3.33Å; Y265-I268 VanDerWaalsContact O-N 3.17Å; I268-K270 VanDerWaalsContact C-N 3.34Å; I268-K270 PolarHBondContact O-N 2.96Å; I268-D271 PolarHBondContact O-N 3.05Å; I268-I272 HydrophobicContact CG2-CG1 4.33Å; I268-I272 WeakPolarHBondContact O-CB 3.45Å; I268-I272 VanDerWaalsContact O-CG1 3.3Å; I268-I272 WeakPolarHBondContact O-CG1 3.34Å; I268-I272 PolarHBondContact O-N 3.23Å
269L96.4Very high94.2Very high0 Ų048.3 Ų48.30%028%0.282CS..Hα-helixtrans-58.5-47.4-178.9-177.965.8000111V77 L92 I96 Y265 L266 H267 V273V77-L269 HydrophobicContact CB-CD2 4.34Å; V77-L269 HydrophobicContact CB-CG 4.35Å; V77-L269 HydrophobicContact CG1-CB 4.14Å; V77-L269 HydrophobicContact CG1-CD2 3.71Å; V77-L269 HydrophobicContact CG1-CG 3.8Å; V77-L269 HydrophobicContact CG2-CD1 4.5Å; V77-L269 HydrophobicContact CG2-CD2 4Å; V77-L269 HydrophobicContact CG2-CG 3.68Å; L92-L269 HydrophobicContact CD1-CD1 3.46Å; L92-L269 VanDerWaalsContact CD1-CD1 3.46Å; L92-L269 HydrophobicContact CD2-CD1 3.41Å; L92-L269 VanDerWaalsContact CD2-CD1 3.41Å; L92-L269 HydrophobicContact CG-CD1 3.51Å; I96-L269 HydrophobicContact CD1-CD1 3.85Å; I96-L269 HydrophobicContact CG1-CD1 4.49Å; Y265-L269 HydrophobicContact CE1-CD2 4.28Å; Y265-L269 WeakPolarHBondContact O-CB 3.27Å; Y265-L269 PolarHBondContact O-N 3.4Å; L266-L269 HydrophobicContact CD2-CD2 4.48Å; L266-L269 PolarHBondContact O-N 3.21Å; H267-L269 VanDerWaalsContact C-N 3.35Å; H267-L269 PolarHBondContact O-N 3.47Å; L269-V273 VanDerWaalsContact O-CG2 3.26Å; L269-V273 WeakPolarHBondContact O-CG2 3.45Å; L269-V273 PolarHBondContact O-N 2.95Å; L269-V273 VanDerWaalsContact O-N 3.13Å
270K97.1Very high94.7Very high116 Ų11646 Ų4650%0.50426%0.264SS..Hα-helixtrans-62.8-47.3176.8-179.1173.6173.5174.50112V77 L266 H267 I268 I272 V273 E274V77-K270 HydrophobicContact CG1-CB 4.03Å; L266-K270 VanDerWaalsContact O-CB 3.26Å; L266-K270 WeakPolarHBondContact O-CB 3.41Å; L266-K270 PolarHBondContact O-N 3.33Å; H267-K270 PolarHBondContact O-N 3.41Å; I268-K270 VanDerWaalsContact C-N 3.34Å; I268-K270 PolarHBondContact O-N 2.96Å; K270-I272 PolarHBondContact O-N 3.14Å; K270-V273 PolarHBondContact O-N 3.43Å; K270-E274 WeakPolarHBondContact CE-OE1 3.15Å; K270-E274 HydrophobicContact CG-CG 4.41Å; K270-E274 IonicContact NZ-OE1 3.88Å; K270-E274 WeakPolarHBondContact O-CG 3.45Å; K270-E274 PolarHBondContact O-N 3.18Å
271D97.3Very high95.2Very high27 Ų2742.5 Ų42.514%0.14424%0.235CC..Hα-helixtrans-61.9-41.8-178.6178.365.5000112.3Y99 H267 I268 E274 K275Y99-D271 WeakPolarHBondContact CE2-OD2 3.43Å; H267-D271 VanDerWaalsContact O-CB 3.27Å; H267-D271 WeakPolarHBondContact O-CB 3.39Å; H267-D271 PolarHBondContact O-N 3.04Å; I268-D271 PolarHBondContact O-N 3.05Å; D271-E274 PolarHBondContact O-N 2.96Å; D271-K275 WeakPolarHBondContact O-CB 3.42Å; D271-K275 WeakPolarHBondContact O-CG 3.39Å; D271-K275 PolarHBondContact O-N 2.71Å; D271-K275 IonicContact OD1-NZ 3.44Å; D271-K275 PolarHBondContact OD1-NZ 3.47Å; D271-K275 IonicContact OD2-NZ 2.64Å; D271-K275 PolarHBondContact OD2-NZ 3.39Å
272I97.5Very high95.4Very high1 Ų144.4 Ų44.41%0.00524%0.238CC..Hα-helixtrans-62.6-44.9174.6-70.4-62.6000111.1L92 G95 Y99 I268 K270 K275 M276 L281L92-I272 HydrophobicContact CD1-CG2 4.26Å; G95-I272 WeakPolarHBondContact O-CD1 3.3Å; Y99-I272 HydrophobicContact CD2-CD1 4.39Å; I268-I272 HydrophobicContact CG2-CG1 4.33Å; I268-I272 WeakPolarHBondContact O-CB 3.45Å; I268-I272 VanDerWaalsContact O-CG1 3.3Å; I268-I272 WeakPolarHBondContact O-CG1 3.34Å; I268-I272 PolarHBondContact O-N 3.23Å; K270-I272 PolarHBondContact O-N 3.14Å; I272-K275 PolarHBondContact O-N 3.19Å; I272-M276 HydrophobicContact CG2-CE 3.87Å; I272-M276 HydrophobicContact CG2-SD 4.46Å; I272-M276 WeakPolarHBondContact O-CG 3.48Å; I272-M276 PolarHBondContact O-N 3.22Å; I272-L281 HydrophobicContact CD1-CD1 3.62Å; I272-L281 HydrophobicContact CG2-CD1 4.32Å
273V97.3Very high95.3Very high2 Ų244.2 Ų44.21%0.01224%0.239CC..Hα-helixtrans-63.8-41.7178170.20000112V53 V77 P80 L83 L92 L269 K270 M276 S277V53-V273 HydrophobicContact CG1-CG1 4.34Å; V53-V273 HydrophobicContact CG1-CG2 3.59Å; V77-V273 HydrophobicContact CG2-CB 4.35Å; V77-V273 HydrophobicContact CG2-CG2 3.86Å; P80-V273 HydrophobicContact CG-CG1 3.97Å; L83-V273 HydrophobicContact CD2-CG1 4Å; L92-V273 HydrophobicContact CD1-CG2 3.59Å; L269-V273 VanDerWaalsContact O-CG2 3.26Å; L269-V273 WeakPolarHBondContact O-CG2 3.45Å; L269-V273 PolarHBondContact O-N 2.95Å; L269-V273 VanDerWaalsContact O-N 3.13Å; K270-V273 PolarHBondContact O-N 3.43Å; V273-M276 HydrophobicContact CB-CE 4.37Å; V273-M276 HydrophobicContact CG2-CE 3.91Å; V273-M276 PolarHBondContact O-N 3.46Å; V273-S277 PolarHBondContact O-N 3.27Å
274E96.8Very high94.8Very high95 Ų9547.3 Ų47.344%0.44424%0.238SC..Hα-helixtrans-64-45.2175.2-74.3177.7178.200111.6K270 D271 M276 S277 A278K270-E274 WeakPolarHBondContact CE-OE1 3.15Å; K270-E274 HydrophobicContact CG-CG 4.41Å; K270-E274 IonicContact NZ-OE1 3.88Å; K270-E274 WeakPolarHBondContact O-CG 3.45Å; K270-E274 PolarHBondContact O-N 3.18Å; D271-E274 PolarHBondContact O-N 2.96Å; E274-M276 VanDerWaalsContact C-N 3.33Å; E274-M276 PolarHBondContact O-N 2.87Å; E274-S277 PolarHBondContact O-N 2.75Å; E274-A278 WeakPolarHBondContact O-CB 3.39Å; E274-A278 PolarHBondContact O-N 3.1Å
275K96.6Very high93.8Very high19 Ų1946.4 Ų46.48%0.08324%0.239CC..Hα-helixtrans-63.4-36.4176.2-76.4-176.9170.780.60112.6L130 D271 I272 G279 V280 L281L130-K275 HydrophobicContact CD1-CD 3.76Å; D271-K275 WeakPolarHBondContact O-CB 3.42Å; D271-K275 WeakPolarHBondContact O-CG 3.39Å; D271-K275 PolarHBondContact O-N 2.71Å; D271-K275 IonicContact OD1-NZ 3.44Å; D271-K275 PolarHBondContact OD1-NZ 3.47Å; D271-K275 IonicContact OD2-NZ 2.64Å; D271-K275 PolarHBondContact OD2-NZ 3.39Å; I272-K275 PolarHBondContact O-N 3.19Å; K275-G279 PolarHBondContact O-N 3.01Å; K275-V280 HydrophobicContact CB-CB 4.11Å; K275-V280 HydrophobicContact CB-CG1 4.35Å; K275-V280 HydrophobicContact CD-CG1 4.36Å; K275-V280 HydrophobicContact CG-CB 4.39Å; K275-V280 HydrophobicContact CG-CG1 4.34Å; K275-V280 WeakPolarHBondContact O-CB 3.45Å; K275-V280 PolarHBondContact O-N 2.91Å; K275-L281 HydrophobicContact CB-CD1 3.93Å; K275-L281 HydrophobicContact CB-CG 3.94Å; K275-L281 HydrophobicContact CD-CD1 4.42Å; K275-L281 PolarHBondContact O-N 3.04Å; K275-L281 VanDerWaalsContact O-N 3.11Å
276M96.1Very high92.8Very high10 Ų1051.7 Ų51.75%0.04926%0.264CS..Hα-helixtrans-64.7-46.4171.9-73.4-173.8-64.600111.2L83 A91 L92 I272 V273 E274 A278 G279 L281L83-M276 HydrophobicContact CD1-CB 3.91Å; L83-M276 HydrophobicContact CD2-CB 4.15Å; L83-M276 HydrophobicContact CD2-CE 4.11Å; A91-M276 HydrophobicContact CB-SD 3.62Å; L92-M276 HydrophobicContact CD1-CE 4.02Å; I272-M276 HydrophobicContact CG2-CE 3.87Å; I272-M276 HydrophobicContact CG2-SD 4.46Å; I272-M276 WeakPolarHBondContact O-CG 3.48Å; I272-M276 PolarHBondContact O-N 3.22Å; V273-M276 HydrophobicContact CB-CE 4.37Å; V273-M276 HydrophobicContact CG2-CE 3.91Å; V273-M276 PolarHBondContact O-N 3.46Å; E274-M276 VanDerWaalsContact C-N 3.33Å; E274-M276 PolarHBondContact O-N 2.87Å; M276-A278 VanDerWaalsContact C-N 3.3Å; M276-A278 PolarHBondContact O-N 3.43Å; M276-G279 PolarHBondContact O-N 3.5Å; M276-L281 WeakPolarHBondContact CA-O 3.48Å; M276-L281 HydrophobicContact CG-CB 3.79Å; M276-L281 HydrophobicContact CG-CD1 4.47Å
277S95.9Very high92.1Very high38 Ų3859.1 Ų59.127%0.26630%0.298SS..Hα-helixtrans-64.7-32178.2-177.10000113.4P80 V273 E274 G279P80-S277 WeakPolarHBondContact CB-OG 3.29Å; V273-S277 PolarHBondContact O-N 3.27Å; E274-S277 PolarHBondContact O-N 2.75Å; S277-G279 PolarHBondContact O-N 3.38Å
278A95.1Very high91.8Very high78 Ų7855.8 Ų55.865%0.64529%0.29SS*.THydrogen-bonded Turntrans-78.8-6.5175.600000113E274 M276 V280E274-A278 WeakPolarHBondContact O-CB 3.39Å; E274-A278 PolarHBondContact O-N 3.1Å; M276-A278 VanDerWaalsContact C-N 3.3Å; M276-A278 PolarHBondContact O-N 3.43Å; A278-V280 VanDerWaalsContact C-N 3.26Å; A278-V280 HydrophobicContact CB-CG2 4.26Å; A278-V280 PolarHBondContact O-N 3.08Å
279G93.4Very high91.6Very high24 Ų2457 Ų5725%0.24730%0.296CS..THydrogen-bonded Turntrans7120.5-176.900000113.8K275 M276 S277 R282K275-G279 PolarHBondContact O-N 3.01Å; M276-G279 PolarHBondContact O-N 3.5Å; S277-G279 PolarHBondContact O-N 3.38Å; G279-R282 PolarHBondContact O-NE 3.36Å; G279-R282 PolarHBondContact O-NH2 3.41Å
280V94.7Very high91.4Very high34 Ų3458.8 Ų58.821%0.20631%0.309CS..SBendtrans-73.6-49.4168.8171.70000109.3Y133 K275 A278Y133-V280 HydrophobicContact CD1-CG1 4.1Å; Y133-V280 HydrophobicContact CD2-CB 4.22Å; Y133-V280 HydrophobicContact CD2-CG1 3.33Å; Y133-V280 HydrophobicContact CD2-CG2 3.8Å; Y133-V280 HydrophobicContact CE2-CB 4.46Å; Y133-V280 HydrophobicContact CE2-CG1 3.92Å; Y133-V280 HydrophobicContact CE2-CG2 3.66Å; Y133-V280 HydrophobicContact CG-CG1 3.42Å; Y133-V280 VanDerWaalsContact CG-CG1 3.42Å; K275-V280 HydrophobicContact CB-CB 4.11Å; K275-V280 HydrophobicContact CB-CG1 4.35Å; K275-V280 HydrophobicContact CD-CG1 4.36Å; K275-V280 HydrophobicContact CG-CB 4.39Å; K275-V280 HydrophobicContact CG-CG1 4.34Å; K275-V280 WeakPolarHBondContact O-CB 3.45Å; K275-V280 PolarHBondContact O-N 2.91Å; A278-V280 VanDerWaalsContact C-N 3.26Å; A278-V280 HydrophobicContact CB-CG2 4.26Å; A278-V280 PolarHBondContact O-N 3.08Å
281L95Very high91.2Very high3 Ų357.2 Ų57.22%0.01631%0.305CS..SBendtrans-96.9120.9170.7-63.9177.7000108.8M126 Q129 L130 I272 K275 M276M126-L281 HydrophobicContact SD-CB 4.21Å; M126-L281 HydrophobicContact SD-CD1 4.36Å; M126-L281 HydrophobicContact SD-CD2 4.25Å; M126-L281 HydrophobicContact SD-CG 4.5Å; Q129-L281 HydrophobicContact CB-CD2 3.78Å; L130-L281 HydrophobicContact CB-CD2 4.18Å; I272-L281 HydrophobicContact CD1-CD1 3.62Å; I272-L281 HydrophobicContact CG2-CD1 4.32Å; K275-L281 HydrophobicContact CB-CD1 3.93Å; K275-L281 HydrophobicContact CB-CG 3.94Å; K275-L281 HydrophobicContact CD-CD1 4.42Å; K275-L281 PolarHBondContact O-N 3.04Å; K275-L281 VanDerWaalsContact O-N 3.11Å; M276-L281 WeakPolarHBondContact CA-O 3.48Å; M276-L281 HydrophobicContact CG-CB 3.79Å; M276-L281 HydrophobicContact CG-CD1 4.47Å
282R92.9Very high90.9Very high154 Ų15464.6 Ų64.658%0.58133%0.332SS*.  trans-123.190-179.3-61.5-177.7-169.2-174.40.8108Q129 G279Q129-R282 PolarHBondContact NE2-O 3.14Å; Q129-R282 PolarHBondContact OE1-O 3.33Å; G279-R282 PolarHBondContact O-NE 3.36Å; G279-R282 PolarHBondContact O-NH2 3.41Å
283P87.9Confident90.7Very high24 Ų2468.5 Ų68.516%0.15635%0.351CS..PPolyproline II helixtrans-65.4148.2176.128.3-34.7000110.5C87 A91 M126 M285C87-P283 WeakPolarHBondContact SG-CG 3.33Å; A91-P283 HydrophobicContact CB-CB 3.45Å; A91-P283 VanDerWaalsContact CB-CB 3.45Å; A91-P283 HydrophobicContact CB-CG 3.59Å; M126-P283 VanDerWaalsContact CE-CA 3.45Å; M126-P283 HydrophobicContact CE-CB 3.69Å; P283-M285 PolarHBondContact O-N 2.92Å
284Q83.8Confident90.5Very high121 Ų12168.6 Ų68.657%0.56535%0.352SS*.PPolyproline II helixtrans-76.4116.5170.8-172.1174.1-2.400108.2L125 E286L125-Q284 HydrophobicContact CD2-CB 4.16Å; Q284-E286 PolarHBondContact O-N 3.38Å
285M72.3Confident90.3Very high89 Ų8968.8 Ų68.844%0.43836%0.359SS..PPolyproline II helixtrans-80.7118.1177.3-67.5-62.2-5800109.1L86 C87 P283L86-M285 HydrophobicContact CB-CE 3.64Å; C87-M285 WeakPolarHBondContact CA-SD 3.35Å; C87-M285 HydrophobicContact CB-CE 4.45Å; C87-M285 HydrophobicContact CB-SD 3.7Å; P283-M285 PolarHBondContact O-N 2.92Å
286E73.9Confident90.2Very high112 Ų11272.3 Ų72.352%0.52338%0.382SS..PPolyproline II helixtrans-80.1160.9158.8-64.5-165.7-16800109.7Q284 A288 K308Q284-E286 PolarHBondContact O-N 3.38Å; E286-A288 PolarHBondContact O-N 2.96Å; E286-K308 VanDerWaalsContact OE2-O 3.1Å
287E82Confident90Very high185 Ų18572.6 Ų72.686%0.86439%0.386SS*.PPolyproline II helixtrans-59.9139175.8-72.2-175.4166.600110.4V289E287-V289 PolarHBondContact O-N 3.43Å
288A89.3Confident89.9Confident40 Ų4071.7 Ų71.733%0.33138%0.378SS..PPolyproline II helixtrans-67.3129.9179.800000110L86 E286 Q312L86-A288 HydrophobicContact CD1-CB 4Å; L86-A288 HydrophobicContact CD2-CB 3.97Å; E286-A288 PolarHBondContact O-N 2.96Å; A288-Q312 HydrophobicContact CB-CB 4.24Å
289V92.9Very high89.7Confident24 Ų2473 Ų7315%0.14537%0.371CS..EExtended strand (participates in β ladder)trans-83.5130.7176.9179.70000108.5E287 E293 A297 A309 V310 V311 Q312E287-V289 PolarHBondContact O-N 3.43Å; V289-E293 HydrophobicContact CG1-CB 3.62Å; V289-A297 HydrophobicContact CG1-CB 3.98Å; V289-A297 HydrophobicContact CG2-CB 4.32Å; V289-A309 HydrophobicContact CG2-CB 3.95Å; V289-V310 PolarHBondContact N-O 3.04Å; V289-V311 HydrophobicContact CB-CG2 4.35Å; V289-V311 VanDerWaalsContact O-CA 3.25Å; V289-V311 WeakPolarHBondContact O-CA 3.03Å; V289-Q312 PolarHBondContact O-N 3.43Å
290P92.4Very high89.6Confident39 Ų3974.5 Ų74.525%0.25338%0.375SS..EExtended strand (participates in β ladder)trans-71.9150.917429.8-33.1000110.7Y292 E293P290-Y292 HydrophobicContact CB-CD1 3.74Å; P290-Y292 HydrophobicContact CB-CE1 3.35Å; P290-Y292 HydrophobicContact CG-CD1 4.02Å; P290-Y292 HydrophobicContact CG-CE1 3.37Å; P290-Y292 HydrophobicContact CG-CE2 4.11Å; P290-Y292 WeakPolarHBondContact CG-OH 3.24Å; P290-Y292 PolarHBondContact O-N 3.08Å; P290-E293 HydrophobicContact CG-CB 4.17Å; P290-E293 HydrophobicContact CG-CG 4.26Å; P290-E293 PolarHBondContact O-N 3.37Å
291L91.8Very high89.4Confident83 Ų8373.1 Ų73.144%0.43537%0.366SS..G310 helixtrans-52.9-35.1-175.7176.763.2000114.1E293 A294 V311 L313L291-E293 PolarHBondContact O-N 2.93Å; L291-A294 HydrophobicContact CD1-CB 4.44Å; L291-A294 WeakPolarHBondContact O-CB 3.38Å; L291-A294 PolarHBondContact O-N 2.85Å; L291-A294 VanDerWaalsContact O-N 3.15Å; L291-V311 HydrophobicContact CB-CG1 4.25Å; L291-V311 HydrophobicContact CD1-CG1 4.29Å; L291-L313 HydrophobicContact CB-CD2 4.11Å; L291-L313 HydrophobicContact CD1-CD2 3.55Å; L291-L313 HydrophobicContact CD2-CD2 3.87Å; L291-L313 HydrophobicContact CG-CD2 4.02Å
292Y91.6Very high89.1Confident182 Ų18276.1 Ų76.171%0.71438%0.38SS*.G310 helixtrans-69.5-16.8-179.469.2-97.8000113.7P290P290-Y292 HydrophobicContact CB-CD1 3.74Å; P290-Y292 HydrophobicContact CB-CE1 3.35Å; P290-Y292 HydrophobicContact CG-CD1 4.02Å; P290-Y292 HydrophobicContact CG-CE1 3.37Å; P290-Y292 HydrophobicContact CG-CE2 4.11Å; P290-Y292 WeakPolarHBondContact CG-OH 3.24Å; P290-Y292 PolarHBondContact O-N 3.08Å
293E93.9Very high88.8Confident83 Ų8378 Ų7839%0.38839%0.387SS..G310 helixtrans-98-3.2174.7-81.9168.4-144.700112.9V289 P290 L291 T295 V296 A297V289-E293 HydrophobicContact CG1-CB 3.62Å; P290-E293 HydrophobicContact CG-CB 4.17Å; P290-E293 HydrophobicContact CG-CG 4.26Å; P290-E293 PolarHBondContact O-N 3.37Å; L291-E293 PolarHBondContact O-N 2.93Å; E293-T295 VanDerWaalsContact C-N 3.26Å; E293-T295 PolarHBondContact O-N 2.97Å; E293-T295 VanDerWaalsContact O-N 3.16Å; E293-V296 PolarHBondContact O-N 3.46Å; E293-A297 PolarHBondContact O-N 3.04Å
294A92.6Very high88.6Confident4 Ų481.3 Ų81.33%0.03340%0.401CS..Hα-helixtrans-57.4-36.5-172.500000113.4L65 L291 A297 M298 V311L65-A294 HydrophobicContact CD1-CB 3.99Å; L65-A294 HydrophobicContact CD2-CB 4.36Å; L291-A294 HydrophobicContact CD1-CB 4.44Å; L291-A294 WeakPolarHBondContact O-CB 3.38Å; L291-A294 PolarHBondContact O-N 2.85Å; L291-A294 VanDerWaalsContact O-N 3.15Å; A294-A297 PolarHBondContact O-N 3.36Å; A294-M298 WeakPolarHBondContact O-CB 3.39Å; A294-M298 PolarHBondContact O-N 2.96Å; A294-V311 HydrophobicContact CB-CG1 4.35Å; A294-V311 HydrophobicContact CB-CG2 3.84Å
295T92.5Very high88.3Confident99 Ų9979.6 Ų79.661%0.60740%0.4SS*.Hα-helixtrans-62.8-47.8177-51.90000111.5E293 A297 M298 E299E293-T295 VanDerWaalsContact C-N 3.26Å; E293-T295 PolarHBondContact O-N 2.97Å; E293-T295 VanDerWaalsContact O-N 3.16Å; T295-A297 VanDerWaalsContact C-N 3.34Å; T295-A297 PolarHBondContact O-N 3.36Å; T295-M298 PolarHBondContact O-N 2.94Å; T295-E299 WeakPolarHBondContact O-CG 3.37Å; T295-E299 PolarHBondContact O-N 2.98Å
296V93.5Very high88.4Confident92 Ų9280.3 Ų80.356%0.55840%0.401SS*.Hα-helixtrans-66-40-179.8179.90000110.5E293 E299 T300E293-V296 PolarHBondContact O-N 3.46Å; V296-E299 PolarHBondContact O-N 3.06Å; V296-T300 WeakPolarHBondContact O-CB 3.29Å; V296-T300 PolarHBondContact O-N 2.75Å; V296-T300 PolarHBondContact O-OG1 3.17Å
297A92.7Very high88.7Confident16 Ų1680.2 Ų80.213%0.13240%0.399CS..Hα-helixtrans-62.3-45174.700000111.7L8 V289 E293 A294 T295 T300 I301 A309L8-A297 HydrophobicContact CD1-CB 3.91Å; V289-A297 HydrophobicContact CG1-CB 3.98Å; V289-A297 HydrophobicContact CG2-CB 4.32Å; E293-A297 PolarHBondContact O-N 3.04Å; A294-A297 PolarHBondContact O-N 3.36Å; T295-A297 VanDerWaalsContact C-N 3.34Å; T295-A297 PolarHBondContact O-N 3.36Å; A297-T300 WeakPolarHBondContact O-CB 3.5Å; A297-T300 PolarHBondContact O-N 3.01Å; A297-I301 WeakPolarHBondContact O-CG1 3.44Å; A297-I301 PolarHBondContact O-N 3.13Å; A297-A309 HydrophobicContact CB-CB 4.41Å
298M92.9Very high88.7Confident19 Ų1972.3 Ų72.39%0.09436%0.361CS..Hα-helixtrans-64.4-42.1178.6-172.663.8-14700112.3L8 S9 L11 V28 A294 T295 T300 I301 Q302L8-M298 HydrophobicContact CB-SD 4.36Å; L8-M298 HydrophobicContact CD1-CB 4.32Å; L8-M298 HydrophobicContact CD2-SD 4.26Å; S9-M298 WeakPolarHBondContact O-CE 3.43Å; L11-M298 HydrophobicContact CD1-CE 4.4Å; L11-M298 HydrophobicContact CG-CE 4.09Å; V28-M298 HydrophobicContact CB-CG 4.27Å; V28-M298 HydrophobicContact CB-SD 4.01Å; V28-M298 HydrophobicContact CG1-CE 4.1Å; V28-M298 HydrophobicContact CG1-CG 3.94Å; V28-M298 HydrophobicContact CG1-SD 4.04Å; A294-M298 WeakPolarHBondContact O-CB 3.39Å; A294-M298 PolarHBondContact O-N 2.96Å; T295-M298 PolarHBondContact O-N 2.94Å; M298-T300 VanDerWaalsContact C-N 3.28Å; M298-T300 PolarHBondContact O-N 3.44Å; M298-I301 PolarHBondContact O-N 3.1Å; M298-Q302 PolarHBondContact O-N 3.09Å
299E91.7Very high88.8Confident106 Ų10670.8 Ų70.850%0.49535%0.349SS..Hα-helixtrans-59.8-40.2173.4-74.2179.7-175.500111.9T295 V296 Q302 R303T295-E299 WeakPolarHBondContact O-CG 3.37Å; T295-E299 PolarHBondContact O-N 2.98Å; V296-E299 PolarHBondContact O-N 3.06Å; E299-Q302 PolarHBondContact O-N 3.47Å; E299-R303 WeakPolarHBondContact O-CG 3.22Å; E299-R303 PolarHBondContact O-N 3.42Å
300T91Very high88.9Confident56 Ų5670.4 Ų70.434%0.34435%0.347SS..Hα-helixtrans-65.8-42.6178.2-58.60000111.6V296 A297 M298 R303 H304V296-T300 WeakPolarHBondContact O-CB 3.29Å; V296-T300 PolarHBondContact O-N 2.75Å; V296-T300 PolarHBondContact O-OG1 3.17Å; A297-T300 WeakPolarHBondContact O-CB 3.5Å; A297-T300 PolarHBondContact O-N 3.01Å; M298-T300 VanDerWaalsContact C-N 3.28Å; M298-T300 PolarHBondContact O-N 3.44Å; T300-R303 PolarHBondContact O-N 3.42Å; T300-H304 PolarHBondContact O-N 3.41Å; T300-H304 PolarHBondContact O-ND1 3Å
301I90.7Very high89Confident4 Ų468.5 Ų68.52%0.02134%0.335CS..Hα-helixtrans-65.7-40.4177.3-71.8165.4000111.1L8 P10 A297 M298 R303 H304 P305 A309L8-I301 HydrophobicContact CB-CD1 3.31Å; L8-I301 HydrophobicContact CD1-CD1 4.12Å; L8-I301 HydrophobicContact CG-CD1 4.36Å; P10-I301 HydrophobicContact CB-CG2 4.16Å; P10-I301 HydrophobicContact CG-CG2 4.5Å; A297-I301 WeakPolarHBondContact O-CG1 3.44Å; A297-I301 PolarHBondContact O-N 3.13Å; M298-I301 PolarHBondContact O-N 3.1Å; I301-R303 VanDerWaalsContact C-N 3.26Å; I301-R303 PolarHBondContact O-N 2.96Å; I301-H304 CarbonylContact O-C 3.08Å; I301-H304 PolarHBondContact O-N 3.12Å; I301-P305 WeakPolarHBondContact O-CA 3.45Å; I301-A309 HydrophobicContact CD1-CB 3.7Å
302Q89.9Confident89Confident67 Ų6769.8 Ų69.831%0.31334%0.338SS..Hα-helixtrans-64.6-32.6177.9-166.363.244.900112.1L11 F13 M298 E299L11-Q302 PolarHBondContact O-NE2 3.08Å; F13-Q302 HydrophobicContact CE2-CG 4.27Å; M298-Q302 PolarHBondContact O-N 3.09Å; E299-Q302 PolarHBondContact O-N 3.47Å
303R86.6Confident89Confident192 Ų19264.6 Ų64.673%0.72532%0.323SS*.Hα-helixtrans-77.9-29.1173.6-68.9179.6-173.1167.57.2113.3E299 T300 I301E299-R303 WeakPolarHBondContact O-CG 3.22Å; E299-R303 PolarHBondContact O-N 3.42Å; T300-R303 PolarHBondContact O-N 3.42Å; I301-R303 VanDerWaalsContact C-N 3.26Å; I301-R303 PolarHBondContact O-N 2.96Å
304H83.7Confident88.7Confident94 Ų9463.7 Ų63.744%0.43532%0.319SS..  trans-128.280.4-177.9-56.987.7000109.8T300 I301 K306 K307T300-H304 PolarHBondContact O-N 3.41Å; T300-H304 PolarHBondContact O-ND1 3Å; I301-H304 CarbonylContact O-C 3.08Å; I301-H304 PolarHBondContact O-N 3.12Å; H304-K306 PolarHBondContact O-N 3.03Å; H304-K307 HydrophobicContact CB-CB 4.45Å; H304-K307 HydrophobicContact CB-CD 4.13Å; H304-K307 HydrophobicContact CB-CG 4.1Å; H304-K307 WeakPolarHBondContact O-CB 3.5Å; H304-K307 PolarHBondContact O-N 3.34Å
305P75.6Confident88.5Confident86 Ų8666.8 Ų66.856%0.55833%0.334SS*.THydrogen-bonded Turntrans-65.3-10.9-168.825.5-35.2000114.5P10 I301P10-P305 HydrophobicContact CB-CB 3.98Å; P10-P305 HydrophobicContact CG-CB 3.9Å; I301-P305 WeakPolarHBondContact O-CA 3.45Å
306K74.6Confident88.3Confident104 Ų10465.1 Ų65.145%0.45232%0.319SS..THydrogen-bonded Turntrans-84.8-9.3174.1-63-173174.5-1670113.9D118 H304D118-K306 IonicContact OD2-NZ 3.71Å; D118-K306 PolarHBondContact OD2-NZ 3.34Å; H304-K306 PolarHBondContact O-N 3.03Å
307K80.1Confident88Confident109 Ų10963.5 Ų63.547%0.47431%0.305SS..  trans-89.2155.1175.1-71.1-168.8175.3-176.30110.9H304H304-K307 HydrophobicContact CB-CB 4.45Å; H304-K307 HydrophobicContact CB-CD 4.13Å; H304-K307 HydrophobicContact CB-CG 4.1Å; H304-K307 WeakPolarHBondContact O-CB 3.5Å; H304-K307 PolarHBondContact O-N 3.34Å
308K83.5Confident87.7Confident19 Ų1966.4 Ų66.48%0.08332%0.316CS..  trans-136.7144.4177.5-165.6164.9-167.7176.60109.9E31 G90 D94 P122 E286E31-K308 IonicContact OE1-NZ 2.61Å; G90-K308 VanDerWaalsContact C-NZ 3.31Å; G90-K308 WeakPolarHBondContact O-CD 3.36Å; G90-K308 WeakPolarHBondContact O-CE 3.41Å; G90-K308 PolarHBondContact O-NZ 2.89Å; D94-K308 WeakPolarHBondContact OD2-CD 3.27Å; D94-K308 IonicContact OD2-NZ 2.72Å; D94-K308 PolarHBondContact OD2-NZ 3.37Å; P122-K308 HydrophobicContact CB-CD 4.49Å; P122-K308 HydrophobicContact CG-CB 4.24Å; E286-K308 VanDerWaalsContact OE2-O 3.1Å
309A91.3Very high87.3Confident9 Ų969.6 Ų69.67%0.07433%0.331CS..EExtended strand (participates in β ladder)trans-133.6156.4171.300000109.9L8 V289 A297 I301L8-A309 HydrophobicContact CD1-CB 4.4Å; L8-A309 PolarHBondContact N-O 3.18Å; V289-A309 HydrophobicContact CG2-CB 3.95Å; A297-A309 HydrophobicContact CB-CB 4.41Å; I301-A309 HydrophobicContact CD1-CB 3.7Å
310V93.6Very high87Confident15 Ų1567 Ų679%0.09132%0.319CS..EExtended strand (participates in β ladder)trans-125.2125.6174-172.50000108.1A5 C6 L86 A89 V289A5-V310 HydrophobicContact CB-CG1 4.15Å; C6-V310 CarbonylContact O-C 3.52Å; C6-V310 WeakPolarHBondContact O-CA 3.36Å; L86-V310 HydrophobicContact CB-CG1 4.49Å; L86-V310 HydrophobicContact CD2-CB 4.48Å; L86-V310 HydrophobicContact CD2-CG1 3.74Å; A89-V310 HydrophobicContact CB-CG1 4.13Å; V289-V310 PolarHBondContact N-O 3.04Å
311V94.4Very high86.7Confident0 Ų067.8 Ų67.80%032%0.317CS..EExtended strand (participates in β ladder)trans-90.1130.5176-179.80000109.3A5 C6 L8 L65 V289 L291 A294 L313A5-V311 CarbonylContact C-O 3.6Å; A5-V311 VanDerWaalsContact CA-O 3.31Å; A5-V311 WeakPolarHBondContact CA-O 3.34Å; C6-V311 PolarHBondContact N-O 3.38Å; C6-V311 PolarHBondContact O-N 3.13Å; L8-V311 HydrophobicContact CD1-CG2 3.77Å; L8-V311 HydrophobicContact CD2-CG2 4.44Å; L8-V311 HydrophobicContact CG-CG2 4.01Å; L65-V311 HydrophobicContact CD2-CB 3.71Å; L65-V311 HydrophobicContact CD2-CG1 3.92Å; L65-V311 HydrophobicContact CD2-CG2 3.72Å; V289-V311 HydrophobicContact CB-CG2 4.35Å; V289-V311 VanDerWaalsContact O-CA 3.25Å; V289-V311 WeakPolarHBondContact O-CA 3.03Å; L291-V311 HydrophobicContact CB-CG1 4.25Å; L291-V311 HydrophobicContact CD1-CG1 4.29Å; A294-V311 HydrophobicContact CB-CG1 4.35Å; A294-V311 HydrophobicContact CB-CG2 3.84Å; V311-L313 HydrophobicContact CG1-CD2 4.24Å; V311-L313 HydrophobicContact CG1-CG 4.45Å
312Q93.3Very high86.4Confident109 Ų10973.2 Ų73.251%0.50934%0.342SS..EExtended strand (participates in β ladder)trans-93.5134.5171.1-168.5171-5.900110.3L86 A288 V289L86-Q312 HydrophobicContact CD2-CB 4.01Å; L86-Q312 HydrophobicContact CD2-CG 4.3Å; A288-Q312 HydrophobicContact CB-CB 4.24Å; V289-Q312 PolarHBondContact O-N 3.43Å
313L90Very high86.1Confident74 Ų7473.7 Ų73.739%0.38734%0.344SS..  trans-118.80-175.3-63.1163.4000111.5V3 K4 C6 L291 V311V3-L313 HydrophobicContact CB-CD1 3.75Å; V3-L313 HydrophobicContact CG1-CD1 3.51Å; K4-L313 PolarHBondContact O-N 3.28Å; K4-L313 VanDerWaalsContact O-N 3.14Å; C6-L313 HydrophobicContact CB-CD1 4.18Å; L291-L313 HydrophobicContact CB-CD2 4.11Å; L291-L313 HydrophobicContact CD1-CD2 3.55Å; L291-L313 HydrophobicContact CD2-CD2 3.87Å; L291-L313 HydrophobicContact CG-CD2 4.02Å; V311-L313 HydrophobicContact CG1-CD2 4.24Å; V311-L313 HydrophobicContact CG1-CG 4.45Å

Retrieved 313 of 313 residues in 92.3 ms (Link to these results)

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