A0A3Q0KLS1_SCHMA Loading...

XPG_I_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLS1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 791 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
1M54.2Low81.6Confident68 Ų6842.9 Ų42.934%0.33523%0.226SC..  0121.60-73.8-178.3176.600105.6R77 S162 D244M1-R77 PolarHBondContact SD-NH1 2.71Å; M1-S162 PolarHBondContact O-OG 3.23Å; M1-D244 WeakPolarHBondContact CA-OD2 3.31Å; M1-D244 VanDerWaalsContact CB-OD2 3.32Å; M1-D244 WeakPolarHBondContact CB-OD2 3.37Å; M1-D244 WeakPolarHBondContact CG-OD2 3.48Å
2T76.2Confident81.9Confident35 Ų3547.8 Ų47.822%0.21525%0.246CC..  trans-165.5156.9-166.344.50000112.3S163 D164T2-S163 WeakPolarHBondContact CB-OG 3.32Å; T2-D164 WeakPolarHBondContact CA-OD1 3.35Å
3V80.2Confident81.9Confident0 Ų047.7 Ų47.70%025%0.253CS..BIsolated β-bridgetrans-62.5123.8152.1-173.50000109.2G5 L6 S163 D164 I167 A238 L241 F317V3-G5 PolarHBondContact O-N 3.01Å; V3-G5 VanDerWaalsContact O-N 3.14Å; V3-L6 HydrophobicContact CB-CB 3.97Å; V3-L6 HydrophobicContact CB-CD2 4.02Å; V3-L6 HydrophobicContact CG1-CB 3.87Å; V3-L6 HydrophobicContact CG1-CD2 4.12Å; V3-L6 HydrophobicContact CG2-CD2 4.26Å; V3-S163 PolarHBondContact N-OG 3.25Å; V3-S163 PolarHBondContact O-OG 2.91Å; V3-D164 PolarHBondContact N-OD1 3.08Å; V3-I167 HydrophobicContact CG2-CG1 4.25Å; V3-A238 HydrophobicContact CG2-CB 3.85Å; V3-L241 HydrophobicContact CG1-CB 3.92Å; V3-L241 HydrophobicContact CG1-CD1 3.97Å; V3-F317 HydrophobicContact CG2-CZ 4.04Å
4L79Confident82.1Confident64 Ų6457.3 Ų57.334%0.33529%0.292SS..THydrogen-bonded Turntrans-67.3116.3-169.9-62178.2000112L6 Y89 G242L4-L6 VanDerWaalsContact C-N 3.26Å; L4-L6 PolarHBondContact O-N 2.89Å; L4-Y89 HydrophobicContact CD2-CE2 3.91Å; L4-G242 PolarHBondContact N-O 2.78Å
5G82Confident82.5Confident25 Ų2559.9 Ų59.926%0.25831%0.311SS..THydrogen-bonded Turntrans76.40.2172.600000115.8V3 D7 K8 I9V3-G5 PolarHBondContact O-N 3.01Å; V3-G5 VanDerWaalsContact O-N 3.14Å; G5-D7 VanDerWaalsContact C-N 3.3Å; G5-D7 VanDerWaalsContact C-OD1 3.3Å; G5-D7 WeakPolarHBondContact CA-OD1 3.44Å; G5-D7 PolarHBondContact O-N 3.36Å; G5-K8 PolarHBondContact O-N 3.17Å; G5-I9 VanDerWaalsContact O-CG1 3.31Å; G5-I9 WeakPolarHBondContact O-CG1 3.48Å; G5-I9 PolarHBondContact O-N 2.74Å
6L88.7Confident82.9Confident2 Ų256.2 Ų56.21%0.0129%0.292CS..Hα-helixtrans-60.3-40.7-179.5177.861.3000112.2V3 L4 K8 I9 L10 Y166 I167 L226 L273V3-L6 HydrophobicContact CB-CB 3.97Å; V3-L6 HydrophobicContact CB-CD2 4.02Å; V3-L6 HydrophobicContact CG1-CB 3.87Å; V3-L6 HydrophobicContact CG1-CD2 4.12Å; V3-L6 HydrophobicContact CG2-CD2 4.26Å; L4-L6 VanDerWaalsContact C-N 3.26Å; L4-L6 PolarHBondContact O-N 2.89Å; L6-K8 PolarHBondContact O-N 2.75Å; L6-I9 PolarHBondContact O-N 2.85Å; L6-L10 HydrophobicContact CD1-CD1 4.04Å; L6-L10 HydrophobicContact CD1-CG 4.11Å; L6-L10 HydrophobicContact CG-CD1 3.98Å; L6-L10 HydrophobicContact CG-CG 4.43Å; L6-L10 WeakPolarHBondContact O-CG 3.4Å; L6-L10 PolarHBondContact O-N 3.39Å; L6-Y166 HydrophobicContact CD2-CD2 4.39Å; L6-Y166 HydrophobicContact CG-CD2 4.42Å; L6-I167 HydrophobicContact CD2-CD1 3.88Å; L6-I167 HydrophobicContact CD2-CG1 4.02Å; L6-L226 HydrophobicContact CD1-CD2 4.28Å; L6-L273 HydrophobicContact CD1-CD2 4.32Å
7D88Confident83.5Confident47 Ų4754.7 Ų54.725%0.25128%0.282SS..Hα-helixtrans-53-52.3174.663.1-37.5000111.8G5 I9 L10 L11 Y166G5-D7 VanDerWaalsContact C-N 3.3Å; G5-D7 VanDerWaalsContact C-OD1 3.3Å; G5-D7 WeakPolarHBondContact CA-OD1 3.44Å; G5-D7 PolarHBondContact O-N 3.36Å; D7-I9 VanDerWaalsContact C-N 3.26Å; D7-I9 PolarHBondContact O-N 3.23Å; D7-L10 PolarHBondContact O-N 3.08Å; D7-L11 WeakPolarHBondContact O-CB 3.49Å; D7-L11 VanDerWaalsContact O-CG 3.26Å; D7-L11 WeakPolarHBondContact O-CG 3.48Å; D7-L11 PolarHBondContact O-N 3.21Å; D7-Y166 HydrophobicContact CB-CE2 4.16Å
8K86.4Confident84.1Confident145 Ų14556.3 Ų56.363%0.6329%0.288SS*.Hα-helixtrans-61.8-35.9-179.6-67-178.6-178.51790112G5 L6G5-K8 PolarHBondContact O-N 3.17Å; L6-K8 PolarHBondContact O-N 2.75Å
9I87.3Confident84.6Confident23 Ų2357.4 Ų57.412%0.11830%0.299CS..Hα-helixtrans-68.7-47.2179.3-60.2169.2000110.6G5 L6 D7 L11 E12 A269 Q270 L273G5-I9 VanDerWaalsContact O-CG1 3.31Å; G5-I9 WeakPolarHBondContact O-CG1 3.48Å; G5-I9 PolarHBondContact O-N 2.74Å; L6-I9 PolarHBondContact O-N 2.85Å; D7-I9 VanDerWaalsContact C-N 3.26Å; D7-I9 PolarHBondContact O-N 3.23Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 2.95Å; I9-E12 PolarHBondContact O-N 2.98Å; I9-A269 HydrophobicContact CD1-CB 4.07Å; I9-Q270 HydrophobicContact CB-CG 4.27Å; I9-Q270 HydrophobicContact CD1-CG 4.21Å; I9-Q270 HydrophobicContact CG1-CG 3.63Å; I9-Q270 HydrophobicContact CG2-CG 3.96Å; I9-L273 HydrophobicContact CD1-CB 4.34Å; I9-L273 HydrophobicContact CD1-CD2 4.16Å; I9-L273 HydrophobicContact CG2-CD2 3.74Å
10L89.1Confident85.1Confident4 Ų457 Ų572%0.02130%0.295CS..Hα-helixtrans-68.2-32.7-177.8-67.1175.1000112.3L6 D7 E12 S13 W17 Y166 F219 I225 L226L6-L10 HydrophobicContact CD1-CD1 4.04Å; L6-L10 HydrophobicContact CD1-CG 4.11Å; L6-L10 HydrophobicContact CG-CD1 3.98Å; L6-L10 HydrophobicContact CG-CG 4.43Å; L6-L10 WeakPolarHBondContact O-CG 3.4Å; L6-L10 PolarHBondContact O-N 3.39Å; D7-L10 PolarHBondContact O-N 3.08Å; L10-E12 PolarHBondContact O-N 3.14Å; L10-S13 PolarHBondContact O-N 2.75Å; L10-W17 HydrophobicContact CB-CZ2 4.03Å; L10-W17 PolarHBondContact O-NE1 2.98Å; L10-Y166 HydrophobicContact CD1-CD1 3.67Å; L10-Y166 HydrophobicContact CD1-CD2 3.66Å; L10-Y166 HydrophobicContact CD1-CE1 4.19Å; L10-Y166 HydrophobicContact CD1-CE2 4.17Å; L10-Y166 HydrophobicContact CD1-CG 3.39Å; L10-F219 HydrophobicContact CD1-CE2 4.17Å; L10-F219 HydrophobicContact CD1-CZ 4.29Å; L10-I225 HydrophobicContact CD2-CG2 4.07Å; L10-L226 HydrophobicContact CD1-CD1 4.21Å; L10-L226 HydrophobicContact CD2-CG 4.39Å
11L87Confident85.4Confident59 Ų5960.2 Ų60.231%0.30931%0.307SS..Hα-helixtrans-66.9-19.1176.8-75.8174.5000114.4D7 I9 S13 W17 H193 L194D7-L11 WeakPolarHBondContact O-CB 3.49Å; D7-L11 VanDerWaalsContact O-CG 3.26Å; D7-L11 WeakPolarHBondContact O-CG 3.48Å; D7-L11 PolarHBondContact O-N 3.21Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 2.95Å; L11-S13 PolarHBondContact O-N 3.17Å; L11-W17 HydrophobicContact CD2-CH2 4.32Å; L11-W17 HydrophobicContact CD2-CZ2 3.81Å; L11-W17 HydrophobicContact CG-CZ2 4.33Å; L11-H193 WeakPolarHBondContact CD2-NE2 3.41Å; L11-L194 HydrophobicContact CD2-CD1 3.81Å; L11-L194 HydrophobicContact CD2-CD2 3.71Å; L11-L194 HydrophobicContact CD2-CG 4.03Å
12E84.3Confident87.3Confident101 Ų10157 Ų5747%0.47229%0.291SS..THydrogen-bonded Turntrans-74.3-14.3176.3-69.7-172.9-162.900112.8I9 L10 K267 Q270I9-E12 PolarHBondContact O-N 2.98Å; L10-E12 PolarHBondContact O-N 3.14Å; E12-K267 IonicContact OE1-NZ 2.77Å; E12-K267 PolarHBondContact OE1-NZ 3.02Å; E12-Q270 PolarHBondContact OE1-NE2 3.03Å; E12-Q270 PolarHBondContact OE2-NE2 2.93Å
13S82.7Confident88.1Confident47 Ų4759.3 Ų59.333%0.32930%0.298SS..  trans-107.3114.6177.6176.10000111.6L10 L11 V15 W17L10-S13 PolarHBondContact O-N 2.75Å; L11-S13 PolarHBondContact O-N 3.17Å; S13-V15 VanDerWaalsContact C-N 3.28Å; S13-V15 PolarHBondContact O-N 3.1Å; S13-W17 PolarHBondContact O-NE1 3.01Å
14F84.2Confident88.7Confident182 Ų18263.9 Ų63.980%0.79832%0.322SS*.G310 helixtrans-68.4-24.8176.1-69.7-76.6000113.8S16 W17F14-S16 PolarHBondContact O-N 3.19Å; F14-W17 PolarHBondContact O-N 3.4Å
15V88.1Confident89.4Confident96 Ų9662.8 Ų62.858%0.58232%0.318SS*.G310 helixtrans-67.4-21-172.8-171.10000112.3S13 W17 L223S13-V15 VanDerWaalsContact C-N 3.28Å; S13-V15 PolarHBondContact O-N 3.1Å; V15-W17 VanDerWaalsContact C-N 3.28Å; V15-W17 PolarHBondContact O-N 3.13Å; V15-L223 HydrophobicContact CG1-CB 4.29Å; V15-L223 HydrophobicContact CG1-CD1 4.38Å; V15-L223 WeakPolarHBondContact O-CB 3.33Å; V15-L223 VanDerWaalsContact O-CD1 3.28Å; V15-L223 WeakPolarHBondContact O-CD1 3.49Å
16S89.6Confident90.1Very high1 Ų164.3 Ų64.31%0.00732%0.318CS..G310 helixtrans-86.46.8-177.6-500000113.8F14 I220 L223 S224F14-S16 PolarHBondContact O-N 3.19Å; S16-I220 PolarHBondContact O-N 3.08Å; S16-L223 PolarHBondContact OG-O 2.85Å; S16-S224 WeakPolarHBondContact OG-CA 3.33Å
17W93.2Very high90.4Very high31 Ų3164.2 Ų64.212%0.11732%0.317CS..EExtended strand (participates in β ladder)trans-131.7141.7-173-46.299.6000111.9L10 L11 S13 F14 V15 Y166 P191 L194 H217 K218 F219L10-W17 HydrophobicContact CB-CZ2 4.03Å; L10-W17 PolarHBondContact O-NE1 2.98Å; L11-W17 HydrophobicContact CD2-CH2 4.32Å; L11-W17 HydrophobicContact CD2-CZ2 3.81Å; L11-W17 HydrophobicContact CG-CZ2 4.33Å; S13-W17 PolarHBondContact O-NE1 3.01Å; F14-W17 PolarHBondContact O-N 3.4Å; V15-W17 VanDerWaalsContact C-N 3.28Å; V15-W17 PolarHBondContact O-N 3.13Å; W17-Y166 AromaticContact CH2-CE1 3.47Å; W17-Y166 HydrophobicContact CH2-CE1 3.47Å; W17-Y166 VanDerWaalsContact CH2-CE1 3.47Å; W17-Y166 AromaticContact CH2-CZ 3.82Å; W17-Y166 AromaticContact CZ3-CE1 3.91Å; W17-Y166 HydrophobicContact CZ3-CE1 3.91Å; W17-P191 HydrophobicContact CE3-CG 4.48Å; W17-P191 HydrophobicContact CZ3-CG 3.85Å; W17-L194 HydrophobicContact CD2-CD1 3.78Å; W17-L194 HydrophobicContact CE3-CD1 3.55Å; W17-L194 HydrophobicContact CG-CD1 4.42Å; W17-L194 HydrophobicContact CH2-CD1 4.22Å; W17-L194 HydrophobicContact CZ2-CD1 4.43Å; W17-L194 HydrophobicContact CZ3-CD1 3.8Å; W17-H217 HydrophobicContact CB-CB 4.4Å; W17-K218 WeakPolarHBondContact CA-O 3.29Å; W17-F219 HydrophobicContact CE3-CB 4.2Å; W17-F219 HydrophobicContact CE3-CD2 4.2Å; W17-F219 AromaticContact CH2-CD2 3.85Å; W17-F219 HydrophobicContact CH2-CD2 3.85Å; W17-F219 HydrophobicContact CZ2-CD2 4.43Å; W17-F219 HydrophobicContact CZ3-CB 3.76Å; W17-F219 AromaticContact CZ3-CD2 3.7Å; W17-F219 HydrophobicContact CZ3-CD2 3.7Å; W17-F219 HydrophobicContact CZ3-CG 4.16Å
18E93.4Very high90.8Very high84 Ų8462 Ų6239%0.39331%0.305SS..EExtended strand (participates in β ladder)trans-135.1138.3173.9-179.6-166.9144.600110F20 H217 K218 I220E18-F20 PolarHBondContact O-N 3.14Å; E18-H217 CarbonylContact O-C 3.3Å; E18-H217 VanDerWaalsContact O-CA 3.31Å; E18-H217 WeakPolarHBondContact O-CA 3.37Å; E18-K218 HydrophobicContact CB-CG 4.15Å; E18-K218 PolarHBondContact N-O 3.18Å; E18-K218 VanDerWaalsContact N-O 3.15Å; E18-K218 WeakPolarHBondContact O-CG 3.25Å; E18-K218 PolarHBondContact O-N 2.88Å; E18-K218 VanDerWaalsContact OE1-CE 3.29Å; E18-K218 WeakPolarHBondContact OE1-CE 3.14Å; E18-K218 IonicContact OE1-NZ 3.42Å; E18-K218 PolarHBondContact OE1-NZ 3.35Å; E18-K218 WeakPolarHBondContact OE2-CE 3.48Å; E18-K218 IonicContact OE2-NZ 2.67Å; E18-K218 PolarHBondContact OE2-NZ 3.22Å; E18-I220 HydrophobicContact CB-CD1 3.66Å; E18-I220 HydrophobicContact CB-CG1 4.39Å
19P94Very high91.4Very high77 Ų7755 Ų5550%0.528%0.275SS..EExtended strand (participates in β ladder)trans-54.2135.8171.5-26.235.9000111.9L215 F216P19-L215 HydrophobicContact CB-CD1 4.07Å; P19-F216 CarbonylContact C-O 3.59Å
20F93.7Very high91.9Very high48 Ų4854 Ų5421%0.21127%0.27CS..EExtended strand (participates in β ladder)trans-139.1117.3179-176.3-91.1000109.7E18 L22 P157 L190 F216 K218E18-F20 PolarHBondContact O-N 3.14Å; F20-L22 HydrophobicContact CE1-CB 4.33Å; F20-L22 HydrophobicContact CE1-CD1 3.92Å; F20-P157 HydrophobicContact CE1-CG 4.17Å; F20-P157 HydrophobicContact CZ-CG 3.99Å; F20-L190 HydrophobicContact CB-CD2 4.2Å; F20-L190 HydrophobicContact CD1-CD1 3.91Å; F20-L190 HydrophobicContact CD1-CD2 3.71Å; F20-L190 HydrophobicContact CD1-CG 4.48Å; F20-L190 HydrophobicContact CE1-CD1 3.96Å; F20-L190 HydrophobicContact CE1-CD2 4.33Å; F20-L190 HydrophobicContact CG-CD2 4.02Å; F20-F216 PolarHBondContact N-O 3.31Å; F20-F216 PolarHBondContact O-N 3.08Å; F20-K218 HydrophobicContact CB-CB 4.1Å; F20-K218 HydrophobicContact CB-CD 4.34Å; F20-K218 HydrophobicContact CB-CG 4.23Å; F20-K218 HydrophobicContact CD2-CD 3.97Å; F20-K218 HydrophobicContact CG-CD 4.48Å
21F92.9Very high92.2Very high125 Ų12553.8 Ų53.855%0.54827%0.269SS..EExtended strand (participates in β ladder)trans-87.9116.7173.7-66.7-80.3000109.2K23 A213 L215F21-K23 PolarHBondContact O-N 2.68Å; F21-A213 HydrophobicContact CB-CB 4.39Å; F21-A213 HydrophobicContact CD1-CB 3.68Å; F21-A213 HydrophobicContact CE1-CB 4.44Å; F21-A213 HydrophobicContact CG-CB 4.43Å; F21-L215 HydrophobicContact CD1-CB 4.23Å; F21-L215 HydrophobicContact CD1-CD1 4.01Å; F21-L215 HydrophobicContact CD2-CD1 4.48Å; F21-L215 HydrophobicContact CE1-CB 4.09Å; F21-L215 HydrophobicContact CE1-CD1 3.79Å; F21-L215 HydrophobicContact CE1-CG 4.35Å; F21-L215 HydrophobicContact CE2-CD1 4.26Å; F21-L215 HydrophobicContact CG-CD1 4.37Å; F21-L215 HydrophobicContact CZ-CD1 3.92Å
22L93.4Very high92.5Very high0 Ų051.9 Ų51.90%026%0.259CS..EExtended strand (participates in β ladder)trans-79.3105179.7-174.771.6000109.5F20 T25 V27 L65 S68 V70 I159 L190 M214 F216F20-L22 HydrophobicContact CE1-CB 4.33Å; F20-L22 HydrophobicContact CE1-CD1 3.92Å; L22-T25 HydrophobicContact CD1-CG2 3.66Å; L22-V27 HydrophobicContact CD1-CB 4.46Å; L22-V27 HydrophobicContact CD1-CG2 4.4Å; L22-L65 HydrophobicContact CD2-CD2 3.92Å; L22-S68 WeakPolarHBondContact O-CB 3.35Å; L22-V70 HydrophobicContact CD2-CG1 4.14Å; L22-V70 HydrophobicContact CD2-CG2 4.28Å; L22-V70 HydrophobicContact CG-CG1 4.24Å; L22-V70 HydrophobicContact CG-CG2 3.82Å; L22-I159 HydrophobicContact CD2-CD1 4Å; L22-L190 HydrophobicContact CD1-CD1 3.98Å; L22-M214 HydrophobicContact CB-CB 4.36Å; L22-M214 HydrophobicContact CD2-CE 4.08Å; L22-M214 PolarHBondContact N-O 3.04Å; L22-F216 HydrophobicContact CB-CD2 4Å; L22-F216 HydrophobicContact CB-CE2 3.96Å; L22-F216 HydrophobicContact CD2-CE2 3.81Å; L22-F216 HydrophobicContact CD2-CZ 4.41Å
23K92.9Very high93.1Very high84 Ų8448.1 Ų48.137%0.36524%0.242SC..  trans-152.9150.8-179.3-161.7-169.6173.3-175.80110.5F21 T25 S68 E211F21-K23 PolarHBondContact O-N 2.68Å; K23-T25 VanDerWaalsContact C-N 3.33Å; K23-T25 PolarHBondContact O-N 2.8Å; K23-S68 CarbonylContact C-O 3.54Å; K23-S68 VanDerWaalsContact CA-O 3.29Å; K23-S68 WeakPolarHBondContact CA-O 3.35Å; K23-S68 VanDerWaalsContact CG-O 3.27Å; K23-S68 WeakPolarHBondContact CG-O 3.14Å; K23-E211 IonicContact NZ-OE1 3.98Å; K23-E211 PolarHBondContact NZ-OE1 2.67Å
24D93.2Very high93.7Very high96 Ų9645.9 Ų45.951%0.51323%0.227SC..SBendtrans50.646.7170-60.9-54.5000113.5S68 N69D24-S68 PolarHBondContact N-O 3Å; D24-N69 WeakPolarHBondContact CA-O 3.4Å; D24-N69 PolarHBondContact N-O 3.32Å; D24-N69 WeakPolarHBondContact OD1-CB 3.41Å; D24-N69 PolarHBondContact OD1-ND2 3.24Å
25T94.4Very high94.2Very high41 Ų4137.5 Ų37.525%0.25219%0.19SC..EExtended strand (participates in β ladder)trans-153.3162-173.5-1650000112.5L22 K23 N69 V70 E71L22-T25 HydrophobicContact CD1-CG2 3.66Å; K23-T25 VanDerWaalsContact C-N 3.33Å; K23-T25 PolarHBondContact O-N 2.8Å; T25-N69 PolarHBondContact N-O 3.47Å; T25-V70 CarbonylContact O-C 3.56Å; T25-V70 VanDerWaalsContact O-CA 3.26Å; T25-V70 WeakPolarHBondContact O-CA 3.47Å; T25-E71 PolarHBondContact O-N 3.05Å
26K95Very high94.4Very high57 Ų5733 Ų3325%0.24816%0.163CC..EExtended strand (participates in β ladder)trans-78.2158.5165.1-64179.6-179.4179.10109E71 Y73 C156 P157K26-E71 CarbonylContact C-O 3.6Å; K26-E71 WeakPolarHBondContact CA-O 3.28Å; K26-E71 VanDerWaalsContact CE-OE2 3.29Å; K26-E71 WeakPolarHBondContact CE-OE2 3.07Å; K26-E71 HydrophobicContact CG-CB 4.25Å; K26-Y73 HydrophobicContact CB-CE2 4.1Å; K26-Y73 HydrophobicContact CD-CE2 3.96Å; K26-Y73 HydrophobicContact CG-CE2 4.05Å; K26-C156 HydrophobicContact CB-CB 3.79Å; K26-C156 VanDerWaalsContact O-CB 3.29Å; K26-C156 WeakPolarHBondContact O-CB 2.96Å; K26-P157 WeakPolarHBondContact O-CD 3.41Å
27V96.4Very high94.5Very high0 Ų034.4 Ų34.40%017%0.169CC..EExtended strand (participates in β ladder)trans-148138.317168.20000111.1L22 V29 V70 E71 P72 Y73 P157 I159L22-V27 HydrophobicContact CD1-CB 4.46Å; L22-V27 HydrophobicContact CD1-CG2 4.4Å; V27-V29 HydrophobicContact CG1-CG2 4.07Å; V27-V29 HydrophobicContact CG2-CG2 4.43Å; V27-V70 HydrophobicContact CB-CG1 4.11Å; V27-V70 HydrophobicContact CG1-CG1 3.46Å; V27-V70 VanDerWaalsContact CG1-CG1 3.46Å; V27-E71 PolarHBondContact N-O 3.42Å; V27-P72 HydrophobicContact CG1-CB 3.97Å; V27-P72 CarbonylContact O-C 3.38Å; V27-P72 WeakPolarHBondContact O-CA 3.16Å; V27-Y73 PolarHBondContact O-N 3.12Å; V27-P157 HydrophobicContact CG2-CB 4.38Å; V27-P157 WeakPolarHBondContact CG2-O 3.4Å; V27-I159 HydrophobicContact CG2-CD1 3.57Å; V27-I159 HydrophobicContact CG2-CG1 3.69Å
28V96.8Very high94.5Very high0 Ų033 Ų330%016%0.164CC..EExtended strand (participates in β ladder)trans-96.6133.5171.3-174.70000109.2Y73 I75 C147 I150 A151 L154 P157 V158 I159V28-Y73 WeakPolarHBondContact CA-O 3.4Å; V28-I75 HydrophobicContact CG1-CG1 3.71Å; V28-C147 HydrophobicContact CG1-CB 3.82Å; V28-I150 HydrophobicContact CG1-CG2 4.49Å; V28-I150 HydrophobicContact CG2-CB 4.2Å; V28-I150 HydrophobicContact CG2-CG2 3.62Å; V28-A151 HydrophobicContact CB-CB 4.25Å; V28-A151 HydrophobicContact CG2-CB 3.94Å; V28-L154 HydrophobicContact CG2-CD1 4.44Å; V28-P157 PolarHBondContact N-O 3.42Å; V28-V158 HydrophobicContact CB-CG2 4.43Å; V28-V158 CarbonylContact O-C 3.51Å; V28-V158 VanDerWaalsContact O-CA 3.25Å; V28-V158 WeakPolarHBondContact O-CA 3.3Å; V28-I159 PolarHBondContact O-N 2.91Å
29V97.7Very high94.4Very high0 Ų029.1 Ų29.10%015%0.146CC..EExtended strand (participates in β ladder)trans-124.1124.6-174.7-1740000109.8V27 T31 L34 Y73 F74 I75 I159V27-V29 HydrophobicContact CG1-CG2 4.07Å; V27-V29 HydrophobicContact CG2-CG2 4.43Å; V29-T31 PolarHBondContact O-N 3.31Å; V29-T31 VanDerWaalsContact O-N 3.12Å; V29-L34 HydrophobicContact CG1-CB 4.05Å; V29-L34 HydrophobicContact CG1-CD2 3.78Å; V29-Y73 PolarHBondContact N-O 2.63Å; V29-F74 HydrophobicContact CB-CD1 3.75Å; V29-F74 HydrophobicContact CB-CE1 3.92Å; V29-F74 HydrophobicContact CG1-CD1 3.95Å; V29-F74 HydrophobicContact CG1-CE1 3.91Å; V29-F74 HydrophobicContact CG2-CD1 4.27Å; V29-F74 HydrophobicContact CG2-CE1 4.03Å; V29-I75 PolarHBondContact O-N 2.64Å; V29-I159 HydrophobicContact CG1-CB 4.37Å; V29-I159 HydrophobicContact CG1-CG2 4.37Å; V29-I159 HydrophobicContact CG2-CB 4.34Å; V29-I159 HydrophobicContact CG2-CD1 4.33Å
30D97.1Very high94.1Very high1 Ų129 Ų291%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-70.2105.8161.4-171.5-39.1000108.7D32 D33 L34 P143 I159 Y165D30-D32 VanDerWaalsContact C-N 3.33Å; D30-D32 PolarHBondContact O-N 3.47Å; D30-D32 PolarHBondContact OD1-N 3.17Å; D30-D33 HydrophobicContact CB-CB 4.07Å; D30-D33 PolarHBondContact O-N 3.23Å; D30-D33 PolarHBondContact OD1-N 2.87Å; D30-D33 VanDerWaalsContact OD1-N 3.16Å; D30-L34 PolarHBondContact O-N 3.24Å; D30-P143 WeakPolarHBondContact OD2-CB 3.42Å; D30-I159 PolarHBondContact N-O 3.19Å; D30-Y165 WeakPolarHBondContact CB-OH 3Å
31T96.6Very high93.7Very high0 Ų031.7 Ų31.70%015%0.153CC..Hα-helixtrans-69.6-34.1-172.1-52.90000112V29 L34 V35 F74 I75 L76 F125V29-T31 PolarHBondContact O-N 3.31Å; V29-T31 VanDerWaalsContact O-N 3.12Å; T31-L34 PolarHBondContact O-N 2.92Å; T31-V35 HydrophobicContact CG2-CG2 4.29Å; T31-V35 WeakPolarHBondContact O-CB 3.46Å; T31-V35 WeakPolarHBondContact O-CG2 3.31Å; T31-V35 PolarHBondContact O-N 3.11Å; T31-F74 HydrophobicContact CG2-CD1 4.44Å; T31-F74 VanDerWaalsContact OG1-CB 3.3Å; T31-F74 WeakPolarHBondContact OG1-CB 3.34Å; T31-I75 WeakPolarHBondContact CB-O 3.33Å; T31-I75 PolarHBondContact N-O 3.01Å; T31-I75 PolarHBondContact OG1-N 3.11Å; T31-I75 VanDerWaalsContact OG1-N 3.13Å; T31-I75 PolarHBondContact OG1-O 3.41Å; T31-L76 HydrophobicContact CG2-CD2 3.4Å; T31-L76 HydrophobicContact CG2-CG 4.24Å; T31-F125 HydrophobicContact CG2-CD1 3.86Å; T31-F125 HydrophobicContact CG2-CE1 3.23Å; T31-F125 HydrophobicContact CG2-CZ 3.76Å
32D94Very high93.3Very high18 Ų1828.9 Ų28.910%0.09614%0.14CC..Hα-helixtrans-71.5-34.4-178.7-88.7-69.1000111.8D30 G36 R77 R122D30-D32 VanDerWaalsContact C-N 3.33Å; D30-D32 PolarHBondContact O-N 3.47Å; D30-D32 PolarHBondContact OD1-N 3.17Å; D32-G36 PolarHBondContact O-N 3.4Å; D32-R77 WeakPolarHBondContact OD2-CB 3.44Å; D32-R77 PolarHBondContact OD2-N 3.11Å; D32-R122 IonicContact OD1-CZ 3.36Å; D32-R122 IonicContact OD1-NH1 2.85Å; D32-R122 PolarHBondContact OD1-NH1 3.29Å; D32-R122 IonicContact OD2-CZ 2.84Å; D32-R122 IonicContact OD2-NH1 3.74Å; D32-R122 PolarHBondContact OD2-NH1 3.13Å; D32-R122 IonicContact OD2-NH2 3.32Å; D32-R122 PolarHBondContact OD2-NH2 3.42Å
33D95.2Very high92.8Very high23 Ų2329.1 Ų29.112%0.12314%0.142CC..Hα-helixtrans-67.5-45.3170.8-78-6000111.2D30 G36 F37 L161 S162 L192D30-D33 HydrophobicContact CB-CB 4.07Å; D30-D33 PolarHBondContact O-N 3.23Å; D30-D33 PolarHBondContact OD1-N 2.87Å; D30-D33 VanDerWaalsContact OD1-N 3.16Å; D33-G36 PolarHBondContact O-N 2.95Å; D33-F37 WeakPolarHBondContact O-CB 3.27Å; D33-F37 PolarHBondContact O-N 3.13Å; D33-L161 HydrophobicContact CB-CB 3.91Å; D33-L161 HydrophobicContact CB-CD1 4.31Å; D33-L161 HydrophobicContact CB-CG 4.18Å; D33-L161 WeakPolarHBondContact OD2-CA 3.25Å; D33-L161 PolarHBondContact OD2-N 3.39Å; D33-S162 PolarHBondContact OD2-N 3.35Å; D33-L192 HydrophobicContact CB-CD1 4.25Å
34L95.8Very high92Very high0 Ų029.1 Ų29.10%015%0.149CC..Hα-helixtrans-62.9-44.1177.8179.363.2000112.5V29 D30 T31 G36 F37 L38 F61 F74 F125 L192V29-L34 HydrophobicContact CG1-CB 4.05Å; V29-L34 HydrophobicContact CG1-CD2 3.78Å; D30-L34 PolarHBondContact O-N 3.24Å; T31-L34 PolarHBondContact O-N 2.92Å; L34-G36 VanDerWaalsContact C-N 3.29Å; L34-G36 PolarHBondContact O-N 3.31Å; L34-F37 PolarHBondContact O-N 3.22Å; L34-L38 HydrophobicContact CD1-CD1 3.85Å; L34-L38 HydrophobicContact CD1-CD2 4.46Å; L34-L38 HydrophobicContact CD1-CG 3.87Å; L34-L38 HydrophobicContact CG-CD1 3.96Å; L34-L38 HydrophobicContact CG-CG 4.33Å; L34-L38 WeakPolarHBondContact O-CG 3.45Å; L34-L38 PolarHBondContact O-N 3.34Å; L34-F61 HydrophobicContact CD1-CE1 4.33Å; L34-F61 HydrophobicContact CD1-CE2 4.22Å; L34-F61 HydrophobicContact CD1-CZ 4.02Å; L34-F61 HydrophobicContact CD2-CD1 4.15Å; L34-F61 HydrophobicContact CD2-CE1 3.46Å; L34-F61 VanDerWaalsContact CD2-CE1 3.46Å; L34-F61 HydrophobicContact CD2-CZ 3.79Å; L34-F74 HydrophobicContact CD2-CE1 3.9Å; L34-F125 HydrophobicContact CD2-CE2 3.65Å; L34-F125 HydrophobicContact CD2-CZ 3.79Å; L34-F125 HydrophobicContact CG-CE2 3.98Å; L34-F125 HydrophobicContact CG-CZ 4.46Å; L34-L192 HydrophobicContact CB-CD1 4.21Å; L34-L192 HydrophobicContact CD1-CD1 4.34Å; L34-L192 HydrophobicContact CD1-CD2 3.8Å
35V94.9Very high91.3Very high5 Ų524.7 Ų24.73%0.0313%0.126CC..Hα-helixtrans-57.8-45.3175.9167.90000110.5T31 H39 A121 R122 F125T31-V35 HydrophobicContact CG2-CG2 4.29Å; T31-V35 WeakPolarHBondContact O-CB 3.46Å; T31-V35 WeakPolarHBondContact O-CG2 3.31Å; T31-V35 PolarHBondContact O-N 3.11Å; V35-H39 WeakPolarHBondContact O-CB 3.27Å; V35-H39 PolarHBondContact O-N 3.19Å; V35-A121 HydrophobicContact CG1-CB 4.37Å; V35-R122 HydrophobicContact CG1-CB 4.32Å; V35-F125 HydrophobicContact CG2-CB 3.66Å; V35-F125 HydrophobicContact CG2-CD1 3.75Å; V35-F125 HydrophobicContact CG2-CD2 3.63Å; V35-F125 HydrophobicContact CG2-CE1 4.33Å; V35-F125 HydrophobicContact CG2-CE2 4.2Å; V35-F125 HydrophobicContact CG2-CG 3.38Å
36G91.9Very high91Very high1 Ų123.8 Ų23.81%0.0112%0.12CC..Hα-helixtrans-59.9-50.617600000112.2D32 D33 L34 L38 H39 D40D32-G36 PolarHBondContact O-N 3.4Å; D33-G36 PolarHBondContact O-N 2.95Å; L34-G36 VanDerWaalsContact C-N 3.29Å; L34-G36 PolarHBondContact O-N 3.31Å; G36-L38 PolarHBondContact O-N 3.29Å; G36-H39 PolarHBondContact O-N 2.9Å; G36-D40 PolarHBondContact O-N 3.5Å
37F92.9Very high90.8Very high32 Ų3223 Ų2314%0.1412%0.116CC..Hα-helixtrans-57.9-49.2-179.5-179-102.4000113.1D33 L34 K41 L161 L192 L197D33-F37 WeakPolarHBondContact O-CB 3.27Å; D33-F37 PolarHBondContact O-N 3.13Å; L34-F37 PolarHBondContact O-N 3.22Å; F37-K41 HydrophobicContact CE1-CD 4.3Å; F37-K41 HydrophobicContact CZ-CD 4.31Å; F37-K41 WeakPolarHBondContact O-CB 3.48Å; F37-K41 PolarHBondContact O-N 2.91Å; F37-L161 HydrophobicContact CB-CD1 4.06Å; F37-L161 HydrophobicContact CD2-CD2 4.4Å; F37-L192 HydrophobicContact CB-CB 4.48Å; F37-L192 HydrophobicContact CB-CD1 4.13Å; F37-L192 HydrophobicContact CD1-CB 4.46Å; F37-L192 HydrophobicContact CD1-CD2 4.06Å; F37-L192 HydrophobicContact CD2-CB 4.05Å; F37-L192 HydrophobicContact CE1-CD2 4.45Å; F37-L192 HydrophobicContact CE2-CB 4.4Å; F37-L192 VanDerWaalsContact CE2-O 3.31Å; F37-L192 WeakPolarHBondContact CE2-O 3.48Å; F37-L192 HydrophobicContact CG-CB 4.07Å; F37-L192 HydrophobicContact CG-CD1 4.49Å; F37-L192 HydrophobicContact CG-CD2 4.37Å; F37-L192 VanDerWaalsContact CZ-O 3.27Å; F37-L192 WeakPolarHBondContact CZ-O 3.4Å; F37-L197 HydrophobicContact CD1-CD1 4.19Å; F37-L197 HydrophobicContact CE1-CD1 3.58Å; F37-L197 HydrophobicContact CE1-CG 4.27Å
38L92Very high90.6Very high2 Ų223.2 Ų23.21%0.0112%0.117CC..Hα-helixtrans-68.2-40.6-179.8-67.4177.4000111.3L34 G36 D40 K41 F42 V58 F125 L197 L199L34-L38 HydrophobicContact CD1-CD1 3.85Å; L34-L38 HydrophobicContact CD1-CD2 4.46Å; L34-L38 HydrophobicContact CD1-CG 3.87Å; L34-L38 HydrophobicContact CG-CD1 3.96Å; L34-L38 HydrophobicContact CG-CG 4.33Å; L34-L38 WeakPolarHBondContact O-CG 3.45Å; L34-L38 PolarHBondContact O-N 3.34Å; G36-L38 PolarHBondContact O-N 3.29Å; L38-D40 PolarHBondContact O-N 3.44Å; L38-K41 PolarHBondContact O-N 2.95Å; L38-F42 HydrophobicContact CD2-CD2 4.48Å; L38-F42 HydrophobicContact CD2-CE2 4.15Å; L38-F42 VanDerWaalsContact O-CD2 3.26Å; L38-F42 WeakPolarHBondContact O-CD2 3.16Å; L38-F42 PolarHBondContact O-N 3.21Å; L38-F42 VanDerWaalsContact O-N 3.09Å; L38-V58 HydrophobicContact CD1-CG2 3.83Å; L38-F125 HydrophobicContact CD1-CD2 4.48Å; L38-F125 HydrophobicContact CD1-CE2 4.31Å; L38-L197 HydrophobicContact CD2-CD1 3.8Å; L38-L199 HydrophobicContact CD2-CD1 4.05Å
39H91.2Very high90.2Very high1 Ų123.2 Ų23.21%0.00512%0.118CC..Hα-helixtrans-56.9-52.3175.4174.8-80.2000111.3V35 G36 K41 F42 S43 A116 R117 S118 A121V35-H39 WeakPolarHBondContact O-CB 3.27Å; V35-H39 PolarHBondContact O-N 3.19Å; G36-H39 PolarHBondContact O-N 2.9Å; H39-K41 PolarHBondContact O-N 2.92Å; H39-F42 PolarHBondContact O-N 3.34Å; H39-S43 WeakPolarHBondContact O-CA 3.21Å; H39-S43 WeakPolarHBondContact O-CB 3.29Å; H39-S43 PolarHBondContact O-N 3.49Å; H39-A116 PolarHBondContact CE1-O 3.39Å; H39-R117 VanDerWaalsContact CE1-CA 3.43Å; H39-R117 WeakPolarHBondContact CE1-CA 3.13Å; H39-S118 PolarHBondContact NE2-N 3.42Å; H39-A121 HydrophobicContact CB-CB 4.34Å
40D88.2Confident90Very high75 Ų7524.1 Ų24.140%0.40112%0.122SC..Hα-helixtrans-68.8-23.9-173.3-61.2-11.6000112.3G36 L38 I115G36-D40 PolarHBondContact O-N 3.5Å; L38-D40 PolarHBondContact O-N 3.44Å; D40-I115 HydrophobicContact CB-CG2 4.49Å
41K85.6Confident89.9Confident105 Ų10524.1 Ų24.146%0.45712%0.122SC..Hα-helixtrans-81.6-30.5176.4-169.7168.4-175.91710113.6F37 L38 H39F37-K41 HydrophobicContact CE1-CD 4.3Å; F37-K41 HydrophobicContact CZ-CD 4.31Å; F37-K41 WeakPolarHBondContact O-CB 3.48Å; F37-K41 PolarHBondContact O-N 2.91Å; L38-K41 PolarHBondContact O-N 2.95Å; H39-K41 PolarHBondContact O-N 2.92Å
42F84.6Confident89.7Confident65 Ų6524.2 Ų24.229%0.28512%0.122SC..Hα-helixtrans-118.71.5-171.4-65.5-76.2000114.4L38 H39 A57 L199L38-F42 HydrophobicContact CD2-CD2 4.48Å; L38-F42 HydrophobicContact CD2-CE2 4.15Å; L38-F42 VanDerWaalsContact O-CD2 3.26Å; L38-F42 WeakPolarHBondContact O-CD2 3.16Å; L38-F42 PolarHBondContact O-N 3.21Å; L38-F42 VanDerWaalsContact O-N 3.09Å; H39-F42 PolarHBondContact O-N 3.34Å; F42-A57 HydrophobicContact CB-CB 4.06Å; F42-A57 HydrophobicContact CD1-CB 3.85Å; F42-A57 HydrophobicContact CD2-CB 3.36Å; F42-A57 HydrophobicContact CE1-CB 4.14Å; F42-A57 HydrophobicContact CE2-CB 3.7Å; F42-A57 HydrophobicContact CG-CB 3.46Å; F42-A57 VanDerWaalsContact CG-CB 3.46Å; F42-A57 HydrophobicContact CZ-CB 4.08Å; F42-L199 HydrophobicContact CE2-CD1 3.32Å; F42-L199 HydrophobicContact CZ-CB 3.92Å; F42-L199 HydrophobicContact CZ-CD1 3.32Å; F42-L199 HydrophobicContact CZ-CG 4.21Å
43S82.8Confident89.6Confident6 Ų624.3 Ų24.34%0.04212%0.124CC..  trans-139136.3173.1-167.40000110.4H39 G45 E50H39-S43 WeakPolarHBondContact O-CA 3.21Å; H39-S43 WeakPolarHBondContact O-CB 3.29Å; H39-S43 PolarHBondContact O-N 3.49Å; S43-G45 PolarHBondContact O-N 3.38Å; S43-G45 PolarHBondContact OG-N 3.08Å; S43-E50 PolarHBondContact OG-N 3.27Å
44T75Confident89.5Confident84 Ų8423.4 Ų23.452%0.51512%0.119SC..  trans-74.5-15.6171.9590000112.1L46T44-L46 PolarHBondContact O-N 2.85Å
45G79.3Confident89.4Confident3 Ų323.5 Ų23.53%0.03112%0.12CC..SBendtrans67.6-17.5-17100000114.9S43 Y47 G48 A116S43-G45 PolarHBondContact O-N 3.38Å; S43-G45 PolarHBondContact OG-N 3.08Å; G45-Y47 VanDerWaalsContact C-N 3.31Å; G45-Y47 PolarHBondContact O-N 3.35Å; G45-G48 PolarHBondContact O-N 3.48Å; G45-G48 VanDerWaalsContact O-N 3.12Å; G45-A116 WeakPolarHBondContact CA-O 3.42Å
46L88.1Confident89.3Confident22 Ų2225.5 Ų25.512%0.11513%0.129CC..THydrogen-bonded Turntrans-58.3-35-171.1179.463.7000114.4T44 P110 V113 Y580T44-L46 PolarHBondContact O-N 2.85Å; L46-P110 HydrophobicContact CD1-CB 3.9Å; L46-P110 HydrophobicContact CD2-CB 3.88Å; L46-V113 HydrophobicContact CD1-CB 3.95Å; L46-V113 HydrophobicContact CD1-CG1 4.17Å; L46-V113 HydrophobicContact CD1-CG2 4.03Å; L46-Y580 HydrophobicContact CD1-CD2 4.35Å; L46-Y580 HydrophobicContact CD1-CE1 4.37Å; L46-Y580 HydrophobicContact CD1-CE2 3.61Å; L46-Y580 HydrophobicContact CD2-CD2 4.31Å; L46-Y580 HydrophobicContact CD2-CE2 4.15Å; L46-Y580 HydrophobicContact CG-CD2 4.23Å; L46-Y580 HydrophobicContact CG-CE2 3.57Å; L46-Y580 PolarHBondContact O-OH 3.5Å
47Y91.4Very high89.2Confident41 Ų4125.6 Ų25.616%0.16113%0.13CC..THydrogen-bonded Turntrans-103.419.5-177.7-61.7-80.8000113.1G45 G49 Y580 V585 F588 G630 K631 H634G45-Y47 VanDerWaalsContact C-N 3.31Å; G45-Y47 PolarHBondContact O-N 3.35Å; Y47-G49 VanDerWaalsContact C-N 3.28Å; Y47-G49 PolarHBondContact O-N 3.25Å; Y47-Y580 HydrophobicContact CD1-CD2 4.31Å; Y47-Y580 HydrophobicContact CD1-CE2 4.02Å; Y47-Y580 AromaticContact CE1-CD2 3.63Å; Y47-Y580 HydrophobicContact CE1-CD2 3.63Å; Y47-Y580 AromaticContact CE1-CE2 3.79Å; Y47-Y580 HydrophobicContact CE1-CE2 3.79Å; Y47-V585 HydrophobicContact CD1-CG2 4.3Å; Y47-F588 WeakPolarHBondContact O-CD1 3.38Å; Y47-G630 VanDerWaalsContact O-CA 3.3Å; Y47-G630 WeakPolarHBondContact O-CA 3.35Å; Y47-K631 HydrophobicContact CD2-CB 4Å; Y47-K631 HydrophobicContact CD2-CG 4.17Å; Y47-K631 HydrophobicContact CE2-CB 4.47Å; Y47-K631 HydrophobicContact CE2-CD 4.5Å; Y47-K631 HydrophobicContact CE2-CG 4.13Å; Y47-K631 HydrophobicContact CG-CB 4.05Å; Y47-K631 HydrophobicContact CG-CG 4.4Å; Y47-H634 HydrophobicContact CD1-CB 3.79Å; Y47-H634 AromaticContact CD1-CG 3.72Å; Y47-H634 HydrophobicContact CE1-CB 4.34Å; Y47-H634 AromaticContact CE1-CG 3.85Å; Y47-H634 AromaticContact CE1-ND1 3.69Å
48G90.5Very high89.3Confident3 Ų324.1 Ų24.13%0.03112%0.124CC..SBendtrans82.8-0.2-178.200000115G45 S118 N589 Q592G45-G48 PolarHBondContact O-N 3.48Å; G45-G48 VanDerWaalsContact O-N 3.12Å; G48-S118 WeakPolarHBondContact O-CB 3.07Å; G48-N589 WeakPolarHBondContact CA-OD1 3.24Å; G48-Q592 PolarHBondContact O-NE2 3.04Å
49G90.3Very high89.3Confident1 Ų128.4 Ų28.41%0.0114%0.14CC..  trans125.3147.8168.900000114.5Y47 G630Y47-G49 VanDerWaalsContact C-N 3.28Å; Y47-G49 PolarHBondContact O-N 3.25Å; G49-G630 WeakPolarHBondContact O-CA 3.4Å; G49-G630 PolarHBondContact O-N 3.44Å
50E92.2Very high89.3Confident19 Ų1928.9 Ų28.99%0.08914%0.143CC..  trans-111.472.8176.7-63.6-56.1141.400109.5S43 L52 S53 I54 S629 G630 K631S43-E50 PolarHBondContact OG-N 3.27Å; E50-L52 VanDerWaalsContact C-N 3.34Å; E50-L52 PolarHBondContact O-N 3.46Å; E50-S53 PolarHBondContact O-N 2.98Å; E50-I54 VanDerWaalsContact O-CG1 3.31Å; E50-I54 WeakPolarHBondContact O-CG1 3.46Å; E50-I54 PolarHBondContact O-N 3.05Å; E50-S629 VanDerWaalsContact OE2-CA 3.29Å; E50-S629 WeakPolarHBondContact OE2-CA 3.25Å; E50-S629 WeakPolarHBondContact OE2-CB 3.3Å; E50-S629 PolarHBondContact OE2-OG 2.77Å; E50-G630 PolarHBondContact OE1-N 2.78Å; E50-K631 VanDerWaalsContact OE1-CB 3.3Å; E50-K631 WeakPolarHBondContact OE1-CB 3.49Å; E50-K631 PolarHBondContact OE1-N 3.47Å
51N94.4Very high89.6Confident0 Ų025.3 Ų25.30%012%0.124CC..Hα-helixtrans-65.2-34.7-165.8-63.1-43.5000113.1Y55 S120 V124 W624 F627 P628N51-Y55 VanDerWaalsContact O-CB 3.32Å; N51-Y55 WeakPolarHBondContact O-CB 3.14Å; N51-Y55 PolarHBondContact O-N 3.46Å; N51-S120 WeakPolarHBondContact OD1-CB 3.45Å; N51-V124 HydrophobicContact CB-CG2 3.93Å; N51-W624 HydrophobicContact CB-CB 3.99Å; N51-W624 WeakPolarHBondContact O-CB 3.31Å; N51-F627 WeakPolarHBondContact CB-O 3.47Å; N51-F627 PolarHBondContact ND2-O 2.85Å; N51-P628 PolarHBondContact N-O 3.42Å
52L93.8Very high90Very high3 Ų320.3 Ų20.32%0.01610%0.102CC..Hα-helixtrans-67.1-41.8175.9-173.168.6000111.7E50 Y55 M56 I553 L556 C557 Y560 W624 P628E50-L52 VanDerWaalsContact C-N 3.34Å; E50-L52 PolarHBondContact O-N 3.46Å; L52-Y55 WeakPolarHBondContact O-CB 3.47Å; L52-Y55 PolarHBondContact O-N 3.5Å; L52-M56 WeakPolarHBondContact O-CB 3.34Å; L52-M56 PolarHBondContact O-N 2.93Å; L52-I553 HydrophobicContact CD1-CG2 4Å; L52-I553 HydrophobicContact CG-CG2 4.35Å; L52-L556 HydrophobicContact CD2-CB 3.92Å; L52-C557 VanDerWaalsContact CG-SG 3.58Å; L52-Y560 HydrophobicContact CD2-CD2 3.87Å; L52-Y560 HydrophobicContact CD2-CE2 4Å; L52-W624 HydrophobicContact CD1-CE3 3.56Å; L52-W624 HydrophobicContact CD1-CZ3 4.06Å; L52-P628 HydrophobicContact CB-CB 4.18Å; L52-P628 VanDerWaalsContact CB-O 3.31Å; L52-P628 WeakPolarHBondContact CB-O 3.5Å; L52-P628 PolarHBondContact N-O 2.93Å
53S91.8Very high90.3Very high20 Ų2019 Ų1914%0.1410%0.098CC..Hα-helixtrans-68-39.5176.7-56.80000112.2E50 M56 A57E50-S53 PolarHBondContact O-N 2.98Å; S53-M56 PolarHBondContact O-N 2.93Å; S53-A57 WeakPolarHBondContact O-CB 3.48Å; S53-A57 PolarHBondContact O-N 3.06Å
54I92.9Very high90.7Very high4 Ų418.7 Ų18.72%0.02110%0.096CC..Hα-helixtrans-61.8-46.4172.1-65.7161.6000110E50 M56 A57 V58 V124E50-I54 VanDerWaalsContact O-CG1 3.31Å; E50-I54 WeakPolarHBondContact O-CG1 3.46Å; E50-I54 PolarHBondContact O-N 3.05Å; I54-M56 VanDerWaalsContact C-N 3.33Å; I54-M56 PolarHBondContact O-N 3.27Å; I54-A57 PolarHBondContact O-N 3.37Å; I54-V58 HydrophobicContact CG2-CG2 4.22Å; I54-V58 VanDerWaalsContact O-CG2 3.3Å; I54-V58 WeakPolarHBondContact O-CG2 3.47Å; I54-V58 PolarHBondContact O-N 2.91Å; I54-V124 HydrophobicContact CB-CG1 4.34Å; I54-V124 HydrophobicContact CG2-CG1 3.95Å
55Y94.3Very high91.6Very high1 Ų114.7 Ų14.70%0.0047%0.071CC..Hα-helixtrans-56.5-48.1178-176.1-111.2000111.6N51 L52 A57 V58 R59 V124 A128 E131 I553 W624N51-Y55 VanDerWaalsContact O-CB 3.32Å; N51-Y55 WeakPolarHBondContact O-CB 3.14Å; N51-Y55 PolarHBondContact O-N 3.46Å; L52-Y55 WeakPolarHBondContact O-CB 3.47Å; L52-Y55 PolarHBondContact O-N 3.5Å; Y55-A57 PolarHBondContact O-N 3.31Å; Y55-V58 PolarHBondContact O-N 2.95Å; Y55-R59 WeakPolarHBondContact O-CB 3.2Å; Y55-R59 PolarHBondContact O-N 3.16Å; Y55-V124 HydrophobicContact CD2-CG1 4.05Å; Y55-V124 HydrophobicContact CG-CG1 4.39Å; Y55-A128 HydrophobicContact CD2-CB 3.93Å; Y55-A128 HydrophobicContact CE2-CB 3.67Å; Y55-E131 PolarHBondContact OH-OE1 3.47Å; Y55-E131 PolarHBondContact OH-OE2 3.04Å; Y55-I553 HydrophobicContact CD1-CD1 3.95Å; Y55-I553 HydrophobicContact CE1-CD1 3.62Å; Y55-W624 AromaticContact CD1-CD2 3.86Å; Y55-W624 HydrophobicContact CD1-CD2 3.86Å; Y55-W624 AromaticContact CD1-CE2 3.82Å; Y55-W624 HydrophobicContact CD1-CE3 4.24Å; Y55-W624 HydrophobicContact CD1-CG 4.22Å; Y55-W624 HydrophobicContact CD1-CZ2 4.19Å; Y55-W624 AromaticContact CD2-CD1 3.43Å; Y55-W624 VanDerWaalsContact CD2-CD1 3.43Å; Y55-W624 HydrophobicContact CD2-CD2 4.31Å; Y55-W624 AromaticContact CD2-CE2 4Å; Y55-W624 AromaticContact CD2-CG 4Å; Y55-W624 HydrophobicContact CD2-CG 4Å; Y55-W624 AromaticContact CD2-NE1 3.4Å; Y55-W624 HydrophobicContact CE1-CD2 4.18Å; Y55-W624 AromaticContact CE1-CE2 3.67Å; Y55-W624 HydrophobicContact CE1-CH2 4.1Å; Y55-W624 AromaticContact CE1-CZ2 3.64Å; Y55-W624 HydrophobicContact CE1-CZ2 3.64Å; Y55-W624 AromaticContact CE2-CD1 3.84Å; Y55-W624 AromaticContact CE2-CE2 3.84Å; Y55-W624 HydrophobicContact CE2-CZ2 4.31Å; Y55-W624 AromaticContact CE2-NE1 3.29Å; Y55-W624 VanDerWaalsContact CE2-NE1 3.29Å; Y55-W624 HydrophobicContact CG-CB 4.41Å; Y55-W624 AromaticContact CG-CD1 3.7Å; Y55-W624 AromaticContact CG-CD2 3.93Å; Y55-W624 HydrophobicContact CG-CD2 3.93Å; Y55-W624 AromaticContact CG-CE2 3.98Å; Y55-W624 AromaticContact CG-CG 3.78Å; Y55-W624 HydrophobicContact CG-CG 3.78Å; Y55-W624 AromaticContact CG-NE1 3.79Å; Y55-W624 AromaticContact CZ-CE2 3.68Å; Y55-W624 AromaticContact CZ-CZ2 3.71Å; Y55-W624 AromaticContact CZ-NE1 3.62Å
56M91.5Very high92.2Very high47 Ų4719.2 Ų19.223%0.2329%0.092CC..Hα-helixtrans-57.9-45.3175.9-174.3179.670.800112.2L52 S53 I54 R59 S60 I553L52-M56 WeakPolarHBondContact O-CB 3.34Å; L52-M56 PolarHBondContact O-N 2.93Å; S53-M56 PolarHBondContact O-N 2.93Å; I54-M56 VanDerWaalsContact C-N 3.33Å; I54-M56 PolarHBondContact O-N 3.27Å; M56-R59 PolarHBondContact O-N 3.11Å; M56-S60 WeakPolarHBondContact O-CB 3.4Å; M56-S60 PolarHBondContact O-N 3.29Å; M56-S60 PolarHBondContact O-OG 3.23Å; M56-S60 VanDerWaalsContact O-OG 3.08Å; M56-I553 HydrophobicContact CB-CG2 3.77Å; M56-I553 HydrophobicContact CG-CG2 4.09Å; M56-I553 HydrophobicContact SD-CG2 4.46Å
57A91Very high92.3Very high3 Ų322.6 Ų22.63%0.02512%0.116CC..Hα-helixtrans-65.3-42.3179.900000112.6F42 S53 I54 Y55 S60 F61F42-A57 HydrophobicContact CB-CB 4.06Å; F42-A57 HydrophobicContact CD1-CB 3.85Å; F42-A57 HydrophobicContact CD2-CB 3.36Å; F42-A57 HydrophobicContact CE1-CB 4.14Å; F42-A57 HydrophobicContact CE2-CB 3.7Å; F42-A57 HydrophobicContact CG-CB 3.46Å; F42-A57 VanDerWaalsContact CG-CB 3.46Å; F42-A57 HydrophobicContact CZ-CB 4.08Å; S53-A57 WeakPolarHBondContact O-CB 3.48Å; S53-A57 PolarHBondContact O-N 3.06Å; I54-A57 PolarHBondContact O-N 3.37Å; Y55-A57 PolarHBondContact O-N 3.31Å; A57-S60 PolarHBondContact O-N 3.07Å; A57-F61 PolarHBondContact O-N 3.17Å
58V94.2Very high92.3Very high1 Ų121 Ų211%0.00611%0.111CC..Hα-helixtrans-63.6-45.5176175.60000110.6L38 I54 Y55 S60 F61 F62 F125 A128L38-V58 HydrophobicContact CD1-CG2 3.83Å; I54-V58 HydrophobicContact CG2-CG2 4.22Å; I54-V58 VanDerWaalsContact O-CG2 3.3Å; I54-V58 WeakPolarHBondContact O-CG2 3.47Å; I54-V58 PolarHBondContact O-N 2.91Å; Y55-V58 PolarHBondContact O-N 2.95Å; V58-S60 VanDerWaalsContact C-N 3.35Å; V58-S60 PolarHBondContact O-N 2.73Å; V58-F61 WeakPolarHBondContact O-CB 3.38Å; V58-F61 PolarHBondContact O-N 3.37Å; V58-F61 VanDerWaalsContact O-N 3.17Å; V58-F62 HydrophobicContact CG1-CD2 3.9Å; V58-F62 HydrophobicContact CG1-CE1 4.34Å; V58-F62 HydrophobicContact CG1-CE2 3.28Å; V58-F62 HydrophobicContact CG1-CZ 3.55Å; V58-F62 WeakPolarHBondContact O-CG 3.43Å; V58-F62 PolarHBondContact O-N 3.31Å; V58-F125 HydrophobicContact CB-CD2 4.48Å; V58-F125 HydrophobicContact CG1-CD2 3.71Å; V58-F125 HydrophobicContact CG1-CE2 4.05Å; V58-F125 HydrophobicContact CG1-CG 4.34Å; V58-F125 HydrophobicContact CG2-CD2 3.83Å; V58-A128 HydrophobicContact CB-CB 4.21Å; V58-A128 HydrophobicContact CG1-CB 3.55Å
59R92.9Very high92.4Very high92 Ų9225.9 Ų25.935%0.34714%0.136SC..Hα-helixtrans-60.6-43.3176.6-173.8169.5179.3-93.8-1.4111.8Y55 M56 F61 F62 L63 E131 F132Y55-R59 WeakPolarHBondContact O-CB 3.2Å; Y55-R59 PolarHBondContact O-N 3.16Å; M56-R59 PolarHBondContact O-N 3.11Å; R59-F61 VanDerWaalsContact C-N 3.32Å; R59-F61 PolarHBondContact O-N 2.83Å; R59-F62 PolarHBondContact O-N 2.81Å; R59-L63 HydrophobicContact CG-CD1 4.21Å; R59-L63 WeakPolarHBondContact O-CG 3.32Å; R59-L63 PolarHBondContact O-N 3.21Å; R59-E131 IonicContact NE-OE2 2.75Å; R59-F132 HydrophobicContact CG-CE2 3.88Å; R59-F132 HydrophobicContact CG-CZ 3.82Å
60S91Very high92.6Very high11 Ų1126.2 Ų26.28%0.07714%0.138CC..Hα-helixtrans-62.2-38.6175.1-67.60000112.6M56 A57 V58 L63 N64M56-S60 WeakPolarHBondContact O-CB 3.4Å; M56-S60 PolarHBondContact O-N 3.29Å; M56-S60 PolarHBondContact O-OG 3.23Å; M56-S60 VanDerWaalsContact O-OG 3.08Å; A57-S60 PolarHBondContact O-N 3.07Å; V58-S60 VanDerWaalsContact C-N 3.35Å; V58-S60 PolarHBondContact O-N 2.73Å; S60-L63 PolarHBondContact O-N 2.88Å; S60-N64 PolarHBondContact O-N 3.21Å
61F93.1Very high92.7Very high0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-62.8-45.7174.9172.6-96.2000111.4L34 A57 V58 R59 N64 L65 L197 L199 M214L34-F61 HydrophobicContact CD1-CE1 4.33Å; L34-F61 HydrophobicContact CD1-CE2 4.22Å; L34-F61 HydrophobicContact CD1-CZ 4.02Å; L34-F61 HydrophobicContact CD2-CD1 4.15Å; L34-F61 HydrophobicContact CD2-CE1 3.46Å; L34-F61 VanDerWaalsContact CD2-CE1 3.46Å; L34-F61 HydrophobicContact CD2-CZ 3.79Å; A57-F61 PolarHBondContact O-N 3.17Å; V58-F61 WeakPolarHBondContact O-CB 3.38Å; V58-F61 PolarHBondContact O-N 3.37Å; V58-F61 VanDerWaalsContact O-N 3.17Å; R59-F61 VanDerWaalsContact C-N 3.32Å; R59-F61 PolarHBondContact O-N 2.83Å; F61-N64 PolarHBondContact O-N 2.88Å; F61-L65 HydrophobicContact CD1-CD1 4.18Å; F61-L65 HydrophobicContact CE1-CD1 3.6Å; F61-L65 HydrophobicContact CE1-CG 4.26Å; F61-L65 HydrophobicContact CZ-CD1 4.04Å; F61-L65 HydrophobicContact CZ-CD2 4.44Å; F61-L65 HydrophobicContact CZ-CG 4.39Å; F61-L65 PolarHBondContact O-N 2.85Å; F61-L65 VanDerWaalsContact O-N 3.09Å; F61-L197 HydrophobicContact CD2-CD1 3.91Å; F61-L197 HydrophobicContact CD2-CD2 4.07Å; F61-L197 HydrophobicContact CE2-CD1 4.27Å; F61-L197 HydrophobicContact CE2-CD2 3.89Å; F61-L199 HydrophobicContact CB-CD2 3.88Å; F61-M214 HydrophobicContact CD2-CE 3.93Å; F61-M214 HydrophobicContact CE2-CE 3.4Å; F61-M214 VanDerWaalsContact CE2-CE 3.4Å; F61-M214 HydrophobicContact CE2-SD 4.46Å; F61-M214 HydrophobicContact CZ-CE 4.14Å
62F94.4Very high92.8Very high0 Ų028.9 Ų28.90%015%0.151CC..Hα-helixtrans-65.8-38.7177.3-66.3-23.6000113.5V58 R59 N64 L65 Q66 F74 F125 A128 L129 F132 F134V58-F62 HydrophobicContact CG1-CD2 3.9Å; V58-F62 HydrophobicContact CG1-CE1 4.34Å; V58-F62 HydrophobicContact CG1-CE2 3.28Å; V58-F62 HydrophobicContact CG1-CZ 3.55Å; V58-F62 WeakPolarHBondContact O-CG 3.43Å; V58-F62 PolarHBondContact O-N 3.31Å; R59-F62 PolarHBondContact O-N 2.81Å; F62-N64 VanDerWaalsContact C-N 3.34Å; F62-N64 PolarHBondContact O-N 3.48Å; F62-L65 HydrophobicContact CD1-CD1 4.25Å; F62-L65 WeakPolarHBondContact O-CB 3.24Å; F62-L65 PolarHBondContact O-N 3.14Å; F62-Q66 PolarHBondContact O-N 3.34Å; F62-F74 HydrophobicContact CD1-CZ 4.06Å; F62-F74 AromaticContact CE1-CE1 3.99Å; F62-F74 HydrophobicContact CE1-CE1 3.99Å; F62-F74 HydrophobicContact CE1-CE2 4.11Å; F62-F74 AromaticContact CE1-CZ 3.41Å; F62-F74 HydrophobicContact CE1-CZ 3.41Å; F62-F74 VanDerWaalsContact CE1-CZ 3.41Å; F62-F74 HydrophobicContact CZ-CZ 4.22Å; F62-F125 HydrophobicContact CE1-CE2 4.19Å; F62-F125 AromaticContact CE1-CZ 4Å; F62-F125 HydrophobicContact CE1-CZ 4Å; F62-F125 HydrophobicContact CZ-CD2 4.43Å; F62-F125 HydrophobicContact CZ-CE1 4.09Å; F62-F125 AromaticContact CZ-CE2 3.79Å; F62-F125 HydrophobicContact CZ-CE2 3.79Å; F62-F125 AromaticContact CZ-CZ 3.59Å; F62-F125 HydrophobicContact CZ-CZ 3.59Å; F62-A128 HydrophobicContact CD2-CB 4.29Å; F62-A128 HydrophobicContact CE2-CB 3.87Å; F62-L129 HydrophobicContact CE2-CB 3.98Å; F62-L129 HydrophobicContact CZ-CB 4.03Å; F62-F132 HydrophobicContact CB-CD1 3.62Å; F62-F132 HydrophobicContact CB-CD2 3.9Å; F62-F132 HydrophobicContact CB-CE1 3.56Å; F62-F132 HydrophobicContact CB-CE2 3.86Å; F62-F132 HydrophobicContact CB-CG 3.8Å; F62-F132 HydrophobicContact CB-CZ 3.7Å; F62-F132 AromaticContact CD2-CD2 3.67Å; F62-F132 HydrophobicContact CD2-CD2 3.67Å; F62-F132 AromaticContact CD2-CE2 3.96Å; F62-F132 HydrophobicContact CD2-CE2 3.96Å; F62-F132 HydrophobicContact CD2-CG 4.11Å; F62-F132 HydrophobicContact CG-CD2 4.21Å; F62-F132 HydrophobicContact CG-CE2 4.43Å; F62-F132 HydrophobicContact CG-CG 4.28Å; F62-F134 HydrophobicContact CB-CE2 3.83Å; F62-F134 HydrophobicContact CD1-CD2 4.18Å; F62-F134 AromaticContact CD1-CE2 3.96Å; F62-F134 HydrophobicContact CD1-CE2 3.96Å; F62-F134 HydrophobicContact CG-CD2 4.28Å; F62-F134 AromaticContact CG-CE2 3.92Å; F62-F134 HydrophobicContact CG-CE2 3.92Å
63L92.1Very high93Very high37 Ų3728.9 Ų28.919%0.19415%0.151CC..Hα-helixtrans-61.6-42172.2-73.8167.5000111.5R59 S60 L65 Q66 C67 F132 L202R59-L63 HydrophobicContact CG-CD1 4.21Å; R59-L63 WeakPolarHBondContact O-CG 3.32Å; R59-L63 PolarHBondContact O-N 3.21Å; S60-L63 PolarHBondContact O-N 2.88Å; L63-L65 VanDerWaalsContact C-N 3.3Å; L63-L65 PolarHBondContact O-N 3.47Å; L63-Q66 PolarHBondContact O-N 3.03Å; L63-C67 WeakPolarHBondContact O-CB 3.3Å; L63-C67 PolarHBondContact O-N 3.27Å; L63-C67 PolarHBondContact O-SG 2.96Å; L63-F132 HydrophobicContact CD2-CE1 3.86Å; L63-F132 HydrophobicContact CD2-CZ 4.08Å; L63-F132 HydrophobicContact CG-CE1 3.93Å; L63-F132 HydrophobicContact CG-CZ 3.84Å; L63-L202 HydrophobicContact CB-CD1 3.59Å; L63-L202 HydrophobicContact CD1-CD1 3.72Å; L63-L202 HydrophobicContact CG-CD1 4.29Å
64N91.6Very high93.2Very high0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-63-35.5176.3-74.9-7.4000112.2S60 F61 F62 S68 L197 N198 M214S60-N64 PolarHBondContact O-N 3.21Å; F61-N64 PolarHBondContact O-N 2.88Å; F62-N64 VanDerWaalsContact C-N 3.34Å; F62-N64 PolarHBondContact O-N 3.48Å; N64-S68 VanDerWaalsContact O-CB 3.28Å; N64-S68 WeakPolarHBondContact O-CB 3.46Å; N64-S68 PolarHBondContact O-N 2.7Å; N64-S68 PolarHBondContact O-OG 2.75Å; N64-L197 PolarHBondContact ND2-O 3.46Å; N64-N198 PolarHBondContact ND2-O 2.92Å; N64-M214 HydrophobicContact CB-CG 3.97Å; N64-M214 HydrophobicContact CB-SD 3.63Å
65L93.4Very high93.4Very high0 Ų027.8 Ų27.80%014%0.143CC..Hα-helixtrans-63.4-47.4172.1-66.3176.9000111.6L22 F61 F62 L63 S68 N69 V70 P72 F74 M214L22-L65 HydrophobicContact CD2-CD2 3.92Å; F61-L65 HydrophobicContact CD1-CD1 4.18Å; F61-L65 HydrophobicContact CE1-CD1 3.6Å; F61-L65 HydrophobicContact CE1-CG 4.26Å; F61-L65 HydrophobicContact CZ-CD1 4.04Å; F61-L65 HydrophobicContact CZ-CD2 4.44Å; F61-L65 HydrophobicContact CZ-CG 4.39Å; F61-L65 PolarHBondContact O-N 2.85Å; F61-L65 VanDerWaalsContact O-N 3.09Å; F62-L65 HydrophobicContact CD1-CD1 4.25Å; F62-L65 WeakPolarHBondContact O-CB 3.24Å; F62-L65 PolarHBondContact O-N 3.14Å; L63-L65 VanDerWaalsContact C-N 3.3Å; L63-L65 PolarHBondContact O-N 3.47Å; L65-S68 CarbonylContact O-C 3.59Å; L65-S68 PolarHBondContact O-N 3.04Å; L65-N69 PolarHBondContact O-N 2.72Å; L65-N69 VanDerWaalsContact O-N 3.17Å; L65-V70 HydrophobicContact CB-CB 4.26Å; L65-V70 HydrophobicContact CD2-CB 3.99Å; L65-V70 HydrophobicContact CD2-CG1 3.82Å; L65-V70 HydrophobicContact CD2-CG2 4.46Å; L65-V70 PolarHBondContact O-N 3.27Å; L65-P72 HydrophobicContact CD1-CB 4.07Å; L65-P72 HydrophobicContact CD1-CG 4.01Å; L65-F74 HydrophobicContact CD1-CZ 4.36Å; L65-M214 HydrophobicContact CD2-CE 3.8Å; L65-M214 HydrophobicContact CD2-SD 3.79Å; L65-M214 HydrophobicContact CG-SD 4.23Å
66Q91.9Very high93.5Very high99 Ų9927.7 Ų27.746%0.46314%0.143SC..Hα-helixtrans-62.1-46.8177.3-70.4-173.9-3500112.2F62 L63 S68 N69 F132 F134F62-Q66 PolarHBondContact O-N 3.34Å; L63-Q66 PolarHBondContact O-N 3.03Å; Q66-S68 PolarHBondContact O-N 3.08Å; Q66-N69 PolarHBondContact O-N 3.13Å; Q66-F132 HydrophobicContact CG-CD1 4.25Å; Q66-F134 HydrophobicContact CG-CE1 4.36Å; Q66-F134 HydrophobicContact CG-CZ 3.79Å
67C89.9Confident93.4Very high93 Ų9328.5 Ų28.563%0.62814%0.143SC*.Hα-helixtrans-62.9-27.7177.8-68.90000112.8L63 N69L63-C67 WeakPolarHBondContact O-CB 3.3Å; L63-C67 PolarHBondContact O-N 3.27Å; L63-C67 PolarHBondContact O-SG 2.96Å; C67-N69 VanDerWaalsContact C-N 3.31Å
68S90.7Very high93.3Very high6 Ų628.4 Ų28.44%0.04214%0.142CC..THydrogen-bonded Turntrans-90.66.5175.7-52.30000112.8L22 K23 D24 N64 L65 Q66 V70L22-S68 WeakPolarHBondContact O-CB 3.35Å; K23-S68 CarbonylContact C-O 3.54Å; K23-S68 VanDerWaalsContact CA-O 3.29Å; K23-S68 WeakPolarHBondContact CA-O 3.35Å; K23-S68 VanDerWaalsContact CG-O 3.27Å; K23-S68 WeakPolarHBondContact CG-O 3.14Å; D24-S68 PolarHBondContact N-O 3Å; N64-S68 VanDerWaalsContact O-CB 3.28Å; N64-S68 WeakPolarHBondContact O-CB 3.46Å; N64-S68 PolarHBondContact O-N 2.7Å; N64-S68 PolarHBondContact O-OG 2.75Å; L65-S68 CarbonylContact O-C 3.59Å; L65-S68 PolarHBondContact O-N 3.04Å; Q66-S68 PolarHBondContact O-N 3.08Å; S68-V70 VanDerWaalsContact C-N 3.28Å; S68-V70 PolarHBondContact O-N 3.32Å
69N92.5Very high92.6Very high106 Ų10629.4 Ų29.457%0.56715%0.149SC*.THydrogen-bonded Turntrans51.945.8-176.6-172.738.3000112.6D24 T25 L65 Q66 C67D24-N69 WeakPolarHBondContact CA-O 3.4Å; D24-N69 PolarHBondContact N-O 3.32Å; D24-N69 WeakPolarHBondContact OD1-CB 3.41Å; D24-N69 PolarHBondContact OD1-ND2 3.24Å; T25-N69 PolarHBondContact N-O 3.47Å; L65-N69 PolarHBondContact O-N 2.72Å; L65-N69 VanDerWaalsContact O-N 3.17Å; Q66-N69 PolarHBondContact O-N 3.13Å; C67-N69 VanDerWaalsContact C-N 3.31Å
70V94.8Very high91.9Very high8 Ų825.2 Ų25.25%0.04813%0.134CC..EExtended strand (participates in β ladder)trans-101.5129179.1179.30000109.4L22 T25 V27 L65 S68 P72L22-V70 HydrophobicContact CD2-CG1 4.14Å; L22-V70 HydrophobicContact CD2-CG2 4.28Å; L22-V70 HydrophobicContact CG-CG1 4.24Å; L22-V70 HydrophobicContact CG-CG2 3.82Å; T25-V70 CarbonylContact O-C 3.56Å; T25-V70 VanDerWaalsContact O-CA 3.26Å; T25-V70 WeakPolarHBondContact O-CA 3.47Å; V27-V70 HydrophobicContact CB-CG1 4.11Å; V27-V70 HydrophobicContact CG1-CG1 3.46Å; V27-V70 VanDerWaalsContact CG1-CG1 3.46Å; L65-V70 HydrophobicContact CB-CB 4.26Å; L65-V70 HydrophobicContact CD2-CB 3.99Å; L65-V70 HydrophobicContact CD2-CG1 3.82Å; L65-V70 HydrophobicContact CD2-CG2 4.46Å; L65-V70 PolarHBondContact O-N 3.27Å; S68-V70 VanDerWaalsContact C-N 3.28Å; S68-V70 PolarHBondContact O-N 3.32Å; V70-P72 WeakPolarHBondContact O-CD 3.44Å
71E95.5Very high91.3Very high75 Ų7525.6 Ų25.635%0.3514%0.135SC..EExtended strand (participates in β ladder)trans-98.8103.5175.7-172.3-167.2170.500110.4T25 K26 V27 Y73 K135T25-E71 PolarHBondContact O-N 3.05Å; K26-E71 CarbonylContact C-O 3.6Å; K26-E71 WeakPolarHBondContact CA-O 3.28Å; K26-E71 VanDerWaalsContact CE-OE2 3.29Å; K26-E71 WeakPolarHBondContact CE-OE2 3.07Å; K26-E71 HydrophobicContact CG-CB 4.25Å; V27-E71 PolarHBondContact N-O 3.42Å; E71-Y73 VanDerWaalsContact CD-OH 3.28Å; E71-Y73 HydrophobicContact CG-CE2 3.97Å; E71-Y73 VanDerWaalsContact OE1-CZ 3.29Å; E71-Y73 PolarHBondContact OE1-OH 3.34Å; E71-K135 IonicContact OE1-NZ 3.51Å; E71-K135 PolarHBondContact OE1-NZ 3.49Å
72P96.5Very high90.6Very high1 Ų126 Ų261%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-87.6141.2-177.435.1-37000113.6V27 L65 V70 F74 F134V27-P72 HydrophobicContact CG1-CB 3.97Å; V27-P72 CarbonylContact O-C 3.38Å; V27-P72 WeakPolarHBondContact O-CA 3.16Å; L65-P72 HydrophobicContact CD1-CB 4.07Å; L65-P72 HydrophobicContact CD1-CG 4.01Å; V70-P72 WeakPolarHBondContact O-CD 3.44Å; P72-F74 HydrophobicContact CB-CD2 4.15Å; P72-F74 HydrophobicContact CB-CE2 3.5Å; P72-F74 VanDerWaalsContact CB-CE2 3.5Å; P72-F74 HydrophobicContact CB-CZ 3.7Å; P72-F74 HydrophobicContact CG-CD2 4.32Å; P72-F74 HydrophobicContact CG-CE2 3.48Å; P72-F74 VanDerWaalsContact CG-CE2 3.48Å; P72-F74 HydrophobicContact CG-CZ 3.97Å; P72-F134 HydrophobicContact CG-CB 4.1Å; P72-F134 HydrophobicContact CG-CD1 3.62Å; P72-F134 HydrophobicContact CG-CD2 3.73Å; P72-F134 HydrophobicContact CG-CE1 3.83Å; P72-F134 HydrophobicContact CG-CE2 3.9Å; P72-F134 HydrophobicContact CG-CG 3.56Å; P72-F134 HydrophobicContact CG-CZ 3.95Å
73Y96.6Very high89.8Confident3 Ų332.2 Ų32.21%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-115.2103171-66.4-101.1000108.6K26 V27 V28 V29 E71 K135 L154 L331K26-Y73 HydrophobicContact CB-CE2 4.1Å; K26-Y73 HydrophobicContact CD-CE2 3.96Å; K26-Y73 HydrophobicContact CG-CE2 4.05Å; V27-Y73 PolarHBondContact O-N 3.12Å; V28-Y73 WeakPolarHBondContact CA-O 3.4Å; V29-Y73 PolarHBondContact N-O 2.63Å; E71-Y73 VanDerWaalsContact CD-OH 3.28Å; E71-Y73 HydrophobicContact CG-CE2 3.97Å; E71-Y73 VanDerWaalsContact OE1-CZ 3.29Å; E71-Y73 PolarHBondContact OE1-OH 3.34Å; Y73-K135 HydrophobicContact CD1-CB 4.41Å; Y73-K135 HydrophobicContact CD1-CD 3.97Å; Y73-K135 HydrophobicContact CE1-CD 3.55Å; Y73-K135 PolarHBondContact OH-NZ 3.33Å; Y73-L154 HydrophobicContact CD1-CD1 4.19Å; Y73-L154 HydrophobicContact CD2-CD1 3.98Å; Y73-L154 HydrophobicContact CE1-CD1 4.14Å; Y73-L154 HydrophobicContact CE2-CD1 3.99Å; Y73-L154 HydrophobicContact CG-CD1 4.11Å; Y73-L331 HydrophobicContact CD1-CB 4.1Å; Y73-L331 HydrophobicContact CD1-CD1 4.08Å; Y73-L331 HydrophobicContact CD1-CD2 4.12Å; Y73-L331 HydrophobicContact CD1-CG 4.33Å; Y73-L331 HydrophobicContact CE1-CB 4.18Å
74F97.2Very high89.1Confident0 Ų030.6 Ų30.60%016%0.156CC..EExtended strand (participates in β ladder)trans-86.9123.8-175.5-70.7-76000111.5V29 T31 L34 F62 L65 P72 F125 L129 F134 K135 C136 I137V29-F74 HydrophobicContact CB-CD1 3.75Å; V29-F74 HydrophobicContact CB-CE1 3.92Å; V29-F74 HydrophobicContact CG1-CD1 3.95Å; V29-F74 HydrophobicContact CG1-CE1 3.91Å; V29-F74 HydrophobicContact CG2-CD1 4.27Å; V29-F74 HydrophobicContact CG2-CE1 4.03Å; T31-F74 HydrophobicContact CG2-CD1 4.44Å; T31-F74 VanDerWaalsContact OG1-CB 3.3Å; T31-F74 WeakPolarHBondContact OG1-CB 3.34Å; L34-F74 HydrophobicContact CD2-CE1 3.9Å; F62-F74 HydrophobicContact CD1-CZ 4.06Å; F62-F74 AromaticContact CE1-CE1 3.99Å; F62-F74 HydrophobicContact CE1-CE1 3.99Å; F62-F74 HydrophobicContact CE1-CE2 4.11Å; F62-F74 AromaticContact CE1-CZ 3.41Å; F62-F74 HydrophobicContact CE1-CZ 3.41Å; F62-F74 VanDerWaalsContact CE1-CZ 3.41Å; F62-F74 HydrophobicContact CZ-CZ 4.22Å; L65-F74 HydrophobicContact CD1-CZ 4.36Å; P72-F74 HydrophobicContact CB-CD2 4.15Å; P72-F74 HydrophobicContact CB-CE2 3.5Å; P72-F74 VanDerWaalsContact CB-CE2 3.5Å; P72-F74 HydrophobicContact CB-CZ 3.7Å; P72-F74 HydrophobicContact CG-CD2 4.32Å; P72-F74 HydrophobicContact CG-CE2 3.48Å; P72-F74 VanDerWaalsContact CG-CE2 3.48Å; P72-F74 HydrophobicContact CG-CZ 3.97Å; F74-F125 HydrophobicContact CD1-CZ 4.16Å; F74-F125 AromaticContact CE1-CZ 3.99Å; F74-F125 HydrophobicContact CE1-CZ 3.99Å; F74-L129 HydrophobicContact CB-CD1 3.91Å; F74-L129 HydrophobicContact CD1-CD1 4.22Å; F74-L129 HydrophobicContact CD2-CD1 3.48Å; F74-L129 VanDerWaalsContact CD2-CD1 3.48Å; F74-L129 HydrophobicContact CD2-CG 4.27Å; F74-L129 HydrophobicContact CE2-CD1 4.01Å; F74-L129 HydrophobicContact CG-CD1 3.59Å; F74-F134 HydrophobicContact CD2-CB 3.91Å; F74-F134 HydrophobicContact CE2-CB 3.69Å; F74-F134 AromaticContact CE2-CD2 3.74Å; F74-F134 HydrophobicContact CE2-CD2 3.74Å; F74-F134 HydrophobicContact CE2-CG 4.02Å; F74-F134 HydrophobicContact CZ-CD2 4.44Å; F74-K135 WeakPolarHBondContact CB-O 3.17Å; F74-K135 PolarHBondContact N-O 2.98Å; F74-C136 HydrophobicContact CB-CB 3.94Å; F74-C136 CarbonylContact O-C 3.49Å; F74-C136 VanDerWaalsContact O-CA 3.31Å; F74-C136 WeakPolarHBondContact O-CA 3.36Å; F74-I137 PolarHBondContact O-N 2.68Å
75I96.6Very high88.3Confident0 Ų033.8 Ų33.80%017%0.168CC..EExtended strand (participates in β ladder)trans-112113.4-179.5-52.6-57.1000109.5V28 V29 T31 I137 V139 P143 C147 I150 L331V28-I75 HydrophobicContact CG1-CG1 3.71Å; V29-I75 PolarHBondContact O-N 2.64Å; T31-I75 WeakPolarHBondContact CB-O 3.33Å; T31-I75 PolarHBondContact N-O 3.01Å; T31-I75 PolarHBondContact OG1-N 3.11Å; T31-I75 VanDerWaalsContact OG1-N 3.13Å; T31-I75 PolarHBondContact OG1-O 3.41Å; I75-I137 CarbonylContact C-O 3.5Å; I75-I137 WeakPolarHBondContact CA-O 3.35Å; I75-I137 HydrophobicContact CD1-CG2 3.61Å; I75-V139 HydrophobicContact CG2-CB 4.38Å; I75-V139 HydrophobicContact CG2-CG1 3.6Å; I75-V139 HydrophobicContact CG2-CG2 3.82Å; I75-P143 HydrophobicContact CG2-CB 4.48Å; I75-C147 WeakPolarHBondContact CB-SG 2.86Å; I75-I150 HydrophobicContact CD1-CD1 3.7Å; I75-I150 HydrophobicContact CG1-CD1 4.35Å; I75-L331 HydrophobicContact CD1-CD1 4.14Å
76L95.2Very high87.5Confident0 Ų034.1 Ų34.10%017%0.169CC..EExtended strand (participates in β ladder)trans-92.8142.9178.7-69.9165.2000111T31 G78 M126 C136 I137 R138 V139T31-L76 HydrophobicContact CG2-CD2 3.4Å; T31-L76 HydrophobicContact CG2-CG 4.24Å; L76-G78 PolarHBondContact O-N 3.19Å; L76-M126 HydrophobicContact CD1-CE 3.84Å; L76-M126 HydrophobicContact CD1-SD 3.83Å; L76-M126 HydrophobicContact CD2-SD 3.84Å; L76-M126 HydrophobicContact CG-SD 4.4Å; L76-C136 WeakPolarHBondContact CD1-SG 3.22Å; L76-I137 PolarHBondContact N-O 2.6Å; L76-R138 HydrophobicContact CB-CB 3.92Å; L76-R138 HydrophobicContact CB-CG 4.07Å; L76-R138 HydrophobicContact CD1-CB 4.43Å; L76-R138 CarbonylContact O-C 3.51Å; L76-R138 VanDerWaalsContact O-CA 3.31Å; L76-R138 WeakPolarHBondContact O-CA 3.41Å; L76-V139 WeakPolarHBondContact O-CG2 3.24Å; L76-V139 PolarHBondContact O-N 2.98Å
77R91.1Very high87.1Confident63 Ų6330.7 Ų30.724%0.23815%0.154CC..EExtended strand (participates in β ladder)trans-70.7132.1171.1-172.7178-64.6169.93.7111.5M1 D32 R138 P143M1-R77 PolarHBondContact SD-NH1 2.71Å; D32-R77 WeakPolarHBondContact OD2-CB 3.44Å; D32-R77 PolarHBondContact OD2-N 3.11Å; R77-R138 PolarHBondContact O-NH1 3.5Å; R77-P143 HydrophobicContact CB-CG 4.2Å; R77-P143 HydrophobicContact CG-CG 4.33Å
78G87.9Confident86.7Confident1 Ų134.6 Ų34.61%0.0116%0.16CC..  trans-134.70.7169.100000114.2L76 V139 Y373L76-G78 PolarHBondContact O-N 3.19Å; G78-V139 CarbonylContact C-O 3.54Å; G78-V139 VanDerWaalsContact C-O 3.3Å; G78-V139 WeakPolarHBondContact CA-O 3.15Å; G78-V139 PolarHBondContact N-O 3Å; G78-Y373 PolarHBondContact O-OH 3.16Å
79C79.9Confident86.4Confident22 Ų2237.7 Ų37.715%0.14917%0.171CC..  trans-63.2139.6175.862.40000112V139 K140C79-V139 PolarHBondContact N-O 3.21Å; C79-K140 VanDerWaalsContact CA-O 3.26Å; C79-K140 WeakPolarHBondContact CA-O 3.19Å; C79-K140 WeakPolarHBondContact CB-O 3.17Å
80C78.9Confident86.1Confident4 Ų435.8 Ų35.83%0.02716%0.158CC..  trans-115124.4171.9-177.90000108.5M82 H370 Y373C80-M82 VanDerWaalsContact C-N 3.35Å; C80-M82 HydrophobicContact CB-SD 4.44Å; C80-M82 PolarHBondContact O-N 2.84Å; C80-H370 WeakPolarHBondContact O-CB 3.44Å; C80-H370 PolarHBondContact O-CD2 2.83Å; C80-H370 PolarHBondContact O-ND1 3.07Å; C80-Y373 HydrophobicContact CB-CD1 3.74Å; C80-Y373 HydrophobicContact CB-CE1 3.48Å; C80-Y373 VanDerWaalsContact CB-CE1 3.48Å
81D77.2Confident85.8Confident20 Ų2037 Ų3711%0.10716%0.163CC..  trans-77.487.6173.3-177.13.5000110K83 N84 R85 H370D81-K83 PolarHBondContact O-N 3Å; D81-K83 PolarHBondContact OD1-N 3.27Å; D81-N84 VanDerWaalsContact CG-N 3.3Å; D81-N84 WeakPolarHBondContact O-CA 3.43Å; D81-N84 PolarHBondContact O-N 3.15Å; D81-N84 PolarHBondContact OD1-N 3.27Å; D81-N84 VanDerWaalsContact OD2-C 3.26Å; D81-N84 WeakPolarHBondContact OD2-CA 3.38Å; D81-R85 PolarHBondContact OD2-N 3.39Å; D81-H370 VanDerWaalsContact CA-CE1 3.44Å; D81-H370 WeakPolarHBondContact CA-CE1 3.44Å; D81-H370 IonicContact OD1-CE1 3.39Å; D81-H370 PolarHBondContact OD1-CE1 2.88Å; D81-H370 IonicContact OD1-ND1 3.7Å; D81-H370 IonicContact OD1-NE2 3.6Å
82M77.9Confident85.4Confident8 Ų841 Ų414%0.03918%0.175CC..THydrogen-bonded Turntrans-56.4-33.7-176.6-56.1-68.9-70.500113C80 H370 Y397 S399 K444 V446C80-M82 VanDerWaalsContact C-N 3.35Å; C80-M82 HydrophobicContact CB-SD 4.44Å; C80-M82 PolarHBondContact O-N 2.84Å; M82-H370 HydrophobicContact CG-CB 4.07Å; M82-Y397 WeakPolarHBondContact CA-O 3.44Å; M82-Y397 WeakPolarHBondContact CE-O 3.31Å; M82-S399 WeakPolarHBondContact O-CB 3.31Å; M82-S399 PolarHBondContact O-N 2.9Å; M82-S399 PolarHBondContact O-OG 3.5Å; M82-K444 WeakPolarHBondContact CE-O 3.47Å; M82-V446 HydrophobicContact CB-CG2 4.46Å; M82-V446 HydrophobicContact CE-CG2 3.68Å
83K78.4Confident84.9Confident131 Ų13144.1 Ų44.157%0.5719%0.191SC*.THydrogen-bonded Turntrans-90.2-7.4178.7-66.5-175.6177.7-178.40112.4D81 R85D81-K83 PolarHBondContact O-N 3Å; D81-K83 PolarHBondContact OD1-N 3.27Å; K83-R85 HydrophobicContact CB-CG 4.03Å; K83-R85 PolarHBondContact O-N 2.86Å; K83-R85 VanDerWaalsContact O-N 3.16Å
84N76.9Confident84.6Confident2 Ų245.6 Ų45.61%0.01120%0.198CC..  trans42.147.2-177-154.910.4000113.6D81 Q86 L87 K90 S398 L400 G401D81-N84 VanDerWaalsContact CG-N 3.3Å; D81-N84 WeakPolarHBondContact O-CA 3.43Å; D81-N84 PolarHBondContact O-N 3.15Å; D81-N84 PolarHBondContact OD1-N 3.27Å; D81-N84 VanDerWaalsContact OD2-C 3.26Å; D81-N84 WeakPolarHBondContact OD2-CA 3.38Å; N84-Q86 PolarHBondContact O-N 3Å; N84-L87 WeakPolarHBondContact ND2-CD1 3.38Å; N84-L87 VanDerWaalsContact O-CB 3.26Å; N84-L87 WeakPolarHBondContact O-CB 3.09Å; N84-L87 PolarHBondContact O-N 3.45Å; N84-K90 PolarHBondContact OD1-NZ 3.32Å; N84-K90 VanDerWaalsContact OD1-NZ 3.14Å; N84-S398 WeakPolarHBondContact CB-OG 3.46Å; N84-S398 PolarHBondContact ND2-OG 3.09Å; N84-L400 HydrophobicContact CB-CB 3.94Å; N84-L400 HydrophobicContact CB-CD1 4.27Å; N84-L400 HydrophobicContact CB-CG 4.3Å; N84-G401 PolarHBondContact ND2-O 2.9Å
85R74.9Confident84.2Confident68 Ų6846.9 Ų46.926%0.25720%0.204SC..THydrogen-bonded Turntrans-60.1-21.3-177.8-61.7-170.4-174.3-163.317.1112.4D81 K83 L87 V245 N308 D309D81-R85 PolarHBondContact OD2-N 3.39Å; K83-R85 HydrophobicContact CB-CG 4.03Å; K83-R85 PolarHBondContact O-N 2.86Å; K83-R85 VanDerWaalsContact O-N 3.16Å; R85-L87 VanDerWaalsContact C-N 3.32Å; R85-V245 HydrophobicContact CB-CG1 3.62Å; R85-N308 PolarHBondContact NH1-O 3.31Å; R85-D309 IonicContact CZ-OD1 2.9Å; R85-D309 IonicContact NH1-OD1 3.41Å; R85-D309 PolarHBondContact NH1-OD1 2.95Å
86Q76.8Confident83.8Confident6 Ų650.2 Ų50.23%0.02822%0.222CC..THydrogen-bonded Turntrans-831.6175.8-59.6-179.8-3.400114.4N84 K88 Y89 K90 V245N84-Q86 PolarHBondContact O-N 3Å; Q86-K88 PolarHBondContact O-N 2.82Å; Q86-Y89 WeakPolarHBondContact O-CB 3.35Å; Q86-Y89 PolarHBondContact O-N 3.16Å; Q86-K90 HydrophobicContact CB-CD 4.38Å; Q86-K90 HydrophobicContact CB-CG 4.36Å; Q86-K90 PolarHBondContact O-N 2.9Å; Q86-V245 HydrophobicContact CG-CG2 3.61Å
87L83.2Confident83.6Confident27 Ų2752 Ų5214%0.14123%0.231CC..Hα-helixtrans-50.7-52.1-172.2-176.680.4000112.2N84 R85 Y89 K90 Q91 L400 F403 Y455N84-L87 WeakPolarHBondContact ND2-CD1 3.38Å; N84-L87 VanDerWaalsContact O-CB 3.26Å; N84-L87 WeakPolarHBondContact O-CB 3.09Å; N84-L87 PolarHBondContact O-N 3.45Å; R85-L87 VanDerWaalsContact C-N 3.32Å; L87-Y89 VanDerWaalsContact C-N 3.28Å; L87-Y89 PolarHBondContact O-N 3.17Å; L87-K90 PolarHBondContact O-N 3.16Å; L87-Q91 WeakPolarHBondContact O-CB 3.45Å; L87-Q91 PolarHBondContact O-N 2.88Å; L87-L400 HydrophobicContact CB-CD1 4.35Å; L87-L400 HydrophobicContact CD1-CB 4.29Å; L87-L400 HydrophobicContact CD2-CB 3.95Å; L87-L400 HydrophobicContact CD2-CD1 4.03Å; L87-F403 HydrophobicContact CD1-CD2 4.35Å; L87-F403 HydrophobicContact CD1-CE2 3.44Å; L87-F403 VanDerWaalsContact CD1-CE2 3.44Å; L87-F403 HydrophobicContact CD1-CZ 3.96Å; L87-F403 HydrophobicContact CG-CE2 4.12Å; L87-F403 HydrophobicContact CG-CZ 4.47Å; L87-Y455 HydrophobicContact CD1-CD2 4.35Å; L87-Y455 HydrophobicContact CD1-CE2 3.57Å
88K83Confident83.5Confident175 Ų17549.3 Ų49.376%0.76122%0.221SC*.Hα-helixtrans-60.9-37.2-179-67.8-175.4179.5179.80112.6Q86 R92Q86-K88 PolarHBondContact O-N 2.82Å; K88-R92 PolarHBondContact O-N 3.43Å; K88-R92 VanDerWaalsContact O-N 3.09Å
89Y83.4Confident83.6Confident71 Ų7150.9 Ų50.928%0.27823%0.232SC..Hα-helixtrans-68.9-47.6177.6178-99.5000111.3L4 Q86 L87 Q91 R92 I93 D244L4-Y89 HydrophobicContact CD2-CE2 3.91Å; Q86-Y89 WeakPolarHBondContact O-CB 3.35Å; Q86-Y89 PolarHBondContact O-N 3.16Å; L87-Y89 VanDerWaalsContact C-N 3.28Å; L87-Y89 PolarHBondContact O-N 3.17Å; Y89-Q91 VanDerWaalsContact C-N 3.35Å; Y89-Q91 PolarHBondContact O-N 3.47Å; Y89-R92 PolarHBondContact O-N 3.27Å; Y89-I93 HydrophobicContact CD1-CD1 3.88Å; Y89-I93 HydrophobicContact CE1-CD1 3.22Å; Y89-I93 HydrophobicContact CE1-CG1 4.3Å; Y89-I93 HydrophobicContact CE2-CD1 4.15Å; Y89-I93 PolarHBondContact O-N 2.77Å; Y89-D244 WeakPolarHBondContact CB-O 3.49Å; Y89-D244 HydrophobicContact CD1-CB 3.51Å; Y89-D244 HydrophobicContact CD2-CB 4.26Å; Y89-D244 HydrophobicContact CE1-CB 3.5Å; Y89-D244 HydrophobicContact CE2-CB 4.28Å; Y89-D244 HydrophobicContact CG-CB 3.88Å
90K86.7Confident84.2Confident66 Ų6654.9 Ų54.929%0.28725%0.249SC..Hα-helixtrans-59.3-45.9175.1-68.6174.8-175.2163.70111.1N84 Q86 L87 R92 I93 E94 F403N84-K90 PolarHBondContact OD1-NZ 3.32Å; N84-K90 VanDerWaalsContact OD1-NZ 3.14Å; Q86-K90 HydrophobicContact CB-CD 4.38Å; Q86-K90 HydrophobicContact CB-CG 4.36Å; Q86-K90 PolarHBondContact O-N 2.9Å; L87-K90 PolarHBondContact O-N 3.16Å; K90-R92 VanDerWaalsContact C-N 3.32Å; K90-R92 PolarHBondContact O-N 3.48Å; K90-I93 PolarHBondContact O-N 3.25Å; K90-I93 VanDerWaalsContact O-N 3.15Å; K90-E94 WeakPolarHBondContact O-CG 3.3Å; K90-E94 PolarHBondContact O-N 3.07Å; K90-F403 HydrophobicContact CB-CD2 3.53Å; K90-F403 HydrophobicContact CB-CE2 3.72Å; K90-F403 HydrophobicContact CB-CG 4.4Å; K90-F403 HydrophobicContact CD-CD2 4.23Å
91Q88.5Confident84.7Confident34 Ų3454.9 Ų54.916%0.15925%0.248CC..Hα-helixtrans-54.7-47.6176-169.3-176.7-3.400111.6L87 Y89 I93 F95 F403 L462 L708L87-Q91 WeakPolarHBondContact O-CB 3.45Å; L87-Q91 PolarHBondContact O-N 2.88Å; Y89-Q91 VanDerWaalsContact C-N 3.35Å; Y89-Q91 PolarHBondContact O-N 3.47Å; Q91-I93 PolarHBondContact O-N 2.91Å; Q91-F95 WeakPolarHBondContact O-CB 3.4Å; Q91-F95 PolarHBondContact O-N 3.45Å; Q91-F403 VanDerWaalsContact CA-CZ 3.48Å; Q91-F403 HydrophobicContact CB-CE1 4.05Å; Q91-F403 HydrophobicContact CB-CE2 4.17Å; Q91-F403 HydrophobicContact CB-CZ 3.47Å; Q91-F403 VanDerWaalsContact CB-CZ 3.47Å; Q91-F403 HydrophobicContact CG-CE1 4.15Å; Q91-F403 HydrophobicContact CG-CZ 3.91Å; Q91-L462 HydrophobicContact CG-CD2 4.22Å; Q91-L708 HydrophobicContact CG-CD1 4.48Å
92R86.6Confident85.2Confident158 Ų15854.7 Ų54.760%0.59625%0.247SC*.Hα-helixtrans-63.1-40.9179-175.7178.7179.5-171.4-1112.2K88 Y89 K90 N96K88-R92 PolarHBondContact O-N 3.43Å; K88-R92 VanDerWaalsContact O-N 3.09Å; Y89-R92 PolarHBondContact O-N 3.27Å; K90-R92 VanDerWaalsContact C-N 3.32Å; K90-R92 PolarHBondContact O-N 3.48Å; R92-N96 WeakPolarHBondContact O-CB 3.27Å; R92-N96 PolarHBondContact O-N 2.74Å; R92-N96 VanDerWaalsContact O-N 3.07Å; R92-N96 PolarHBondContact O-ND2 3.45Å; R92-N96 VanDerWaalsContact O-ND2 3.1Å
93I86.7Confident85.9Confident67 Ų6758 Ų5834%0.34427%0.268SS..Hα-helixtrans-65.2-53.9177.4-71.6-179.9000110.6Y89 K90 Q91 F95 N96 L97Y89-I93 HydrophobicContact CD1-CD1 3.88Å; Y89-I93 HydrophobicContact CE1-CD1 3.22Å; Y89-I93 HydrophobicContact CE1-CG1 4.3Å; Y89-I93 HydrophobicContact CE2-CD1 4.15Å; Y89-I93 PolarHBondContact O-N 2.77Å; K90-I93 PolarHBondContact O-N 3.25Å; K90-I93 VanDerWaalsContact O-N 3.15Å; Q91-I93 PolarHBondContact O-N 2.91Å; I93-F95 VanDerWaalsContact C-N 3.3Å; I93-F95 PolarHBondContact O-N 3.03Å; I93-N96 PolarHBondContact O-N 2.99Å; I93-L97 VanDerWaalsContact O-CB 3.32Å; I93-L97 WeakPolarHBondContact O-CB 3.43Å; I93-L97 PolarHBondContact O-N 3.17Å
94E89.2Confident86.4Confident34 Ų3452 Ų5216%0.15924%0.242CC..Hα-helixtrans-62.2-40.7-177.7-66.1-57.5142.900110.7K90 N96 L97 L98 F403 T406 L462K90-E94 WeakPolarHBondContact O-CG 3.3Å; K90-E94 PolarHBondContact O-N 3.07Å; E94-N96 PolarHBondContact O-N 3.29Å; E94-L97 PolarHBondContact O-N 3.32Å; E94-L98 WeakPolarHBondContact O-CB 3.48Å; E94-L98 PolarHBondContact O-N 3.17Å; E94-F403 HydrophobicContact CB-CD1 4.3Å; E94-F403 HydrophobicContact CG-CB 4.05Å; E94-F403 HydrophobicContact CG-CD1 4.14Å; E94-F403 HydrophobicContact CG-CG 4.15Å; E94-T406 VanDerWaalsContact OE2-CB 3.25Å; E94-T406 WeakPolarHBondContact OE2-CB 3.45Å; E94-T406 PolarHBondContact OE2-N 3.36Å; E94-T406 VanDerWaalsContact OE2-N 3.14Å; E94-T406 PolarHBondContact OE2-OG1 3.34Å; E94-L462 HydrophobicContact CB-CD2 4.35Å
95F88.7Confident87Confident27 Ų2752.9 Ų52.912%0.11825%0.247CC..Hα-helixtrans-60.4-47.2174.8-179.4-92.5000112.7Q91 I93 L97 S99 Y712Q91-F95 WeakPolarHBondContact O-CB 3.4Å; Q91-F95 PolarHBondContact O-N 3.45Å; I93-F95 VanDerWaalsContact C-N 3.3Å; I93-F95 PolarHBondContact O-N 3.03Å; F95-L97 VanDerWaalsContact C-N 3.33Å; F95-S99 VanDerWaalsContact O-CB 3.3Å; F95-S99 WeakPolarHBondContact O-CB 3.47Å; F95-S99 PolarHBondContact O-N 2.97Å; F95-S99 PolarHBondContact O-OG 3.32Å; F95-Y712 WeakPolarHBondContact CE1-O 3.47Å; F95-Y712 WeakPolarHBondContact CZ-O 3.36Å
96N89.3Confident87.6Confident70 Ų7055.1 Ų55.137%0.37426%0.259SS..Hα-helixtrans-63.9-42.1178.2-73.3-24.5000111.3R92 I93 E94 S99 Q100R92-N96 WeakPolarHBondContact O-CB 3.27Å; R92-N96 PolarHBondContact O-N 2.74Å; R92-N96 VanDerWaalsContact O-N 3.07Å; R92-N96 PolarHBondContact O-ND2 3.45Å; R92-N96 VanDerWaalsContact O-ND2 3.1Å; I93-N96 PolarHBondContact O-N 2.99Å; E94-N96 PolarHBondContact O-N 3.29Å; N96-S99 PolarHBondContact O-N 3.37Å; N96-Q100 WeakPolarHBondContact O-CB 3.44Å; N96-Q100 VanDerWaalsContact O-CG 3.25Å; N96-Q100 WeakPolarHBondContact O-CG 3.36Å; N96-Q100 PolarHBondContact O-N 3.29Å
97L89.6Confident88.1Confident39 Ų3960.5 Ų60.520%0.20429%0.287CS..Hα-helixtrans-65-48.9-180-172.860.8000110.6I93 E94 F95 S99 Q100 H101 P114 T406I93-L97 VanDerWaalsContact O-CB 3.32Å; I93-L97 WeakPolarHBondContact O-CB 3.43Å; I93-L97 PolarHBondContact O-N 3.17Å; E94-L97 PolarHBondContact O-N 3.32Å; F95-L97 VanDerWaalsContact C-N 3.33Å; L97-S99 PolarHBondContact O-N 2.81Å; L97-Q100 PolarHBondContact O-N 2.83Å; L97-H101 VanDerWaalsContact CD1-CE1 3.48Å; L97-H101 WeakPolarHBondContact CD1-CE1 3.41Å; L97-H101 PolarHBondContact O-N 3.41Å; L97-H101 PolarHBondContact O-ND1 3.23Å; L97-P114 HydrophobicContact CD1-CB 3.91Å; L97-P114 HydrophobicContact CD1-CG 3.6Å; L97-T406 HydrophobicContact CD2-CG2 4.15Å; L97-T406 HydrophobicContact CG-CG2 4.01Å
98L90.5Very high88.1Confident6 Ų664.2 Ų64.23%0.03131%0.307CS..Hα-helixtrans-57.9-47.4175.7176.560.9000111.5E94 Q100 H101 I102 R457 L462E94-L98 WeakPolarHBondContact O-CB 3.48Å; E94-L98 PolarHBondContact O-N 3.17Å; L98-Q100 VanDerWaalsContact C-N 3.31Å; L98-Q100 PolarHBondContact O-N 3.07Å; L98-H101 PolarHBondContact O-N 3Å; L98-I102 HydrophobicContact CD1-CD1 3.65Å; L98-I102 HydrophobicContact CD1-CG1 4.06Å; L98-I102 HydrophobicContact CD2-CD1 4.46Å; L98-I102 HydrophobicContact CG-CD1 3.72Å; L98-I102 WeakPolarHBondContact O-CG1 3.31Å; L98-I102 PolarHBondContact O-N 3.48Å; L98-R457 HydrophobicContact CD1-CB 4.27Å; L98-R457 HydrophobicContact CD1-CG 3.76Å; L98-R457 HydrophobicContact CD2-CB 4.4Å; L98-R457 HydrophobicContact CD2-CG 4.1Å; L98-L462 HydrophobicContact CD2-CB 4.29Å
99S90.2Very high88.3Confident33 Ų3356.4 Ų56.423%0.23128%0.275CS..Hα-helixtrans-59.7-41.6179-62.50000112.1F95 N96 L97 T103F95-S99 VanDerWaalsContact O-CB 3.3Å; F95-S99 WeakPolarHBondContact O-CB 3.47Å; F95-S99 PolarHBondContact O-N 2.97Å; F95-S99 PolarHBondContact O-OG 3.32Å; N96-S99 PolarHBondContact O-N 3.37Å; L97-S99 PolarHBondContact O-N 2.81Å; S99-T103 VanDerWaalsContact O-CB 3.3Å; S99-T103 WeakPolarHBondContact O-CB 3.01Å; S99-T103 PolarHBondContact O-N 3.2Å; S99-T103 PolarHBondContact O-OG1 3.15Å
100Q91.1Very high88.3Confident107 Ų10754.8 Ų54.850%0.527%0.273SS..Hα-helixtrans-66.6-44177-73.5171.817.900111.9N96 L97 L98 T103 A104 P114N96-Q100 WeakPolarHBondContact O-CB 3.44Å; N96-Q100 VanDerWaalsContact O-CG 3.25Å; N96-Q100 WeakPolarHBondContact O-CG 3.36Å; N96-Q100 PolarHBondContact O-N 3.29Å; L97-Q100 PolarHBondContact O-N 2.83Å; L98-Q100 VanDerWaalsContact C-N 3.31Å; L98-Q100 PolarHBondContact O-N 3.07Å; Q100-T103 PolarHBondContact O-N 3.03Å; Q100-A104 VanDerWaalsContact O-CB 3.3Å; Q100-A104 WeakPolarHBondContact O-CB 3.33Å; Q100-A104 PolarHBondContact O-N 3.22Å; Q100-P114 HydrophobicContact CB-CG 3.95Å
101H89.2Confident88.2Confident4 Ų457.9 Ų57.92%0.01929%0.293CS..Hα-helixtrans-58.3-53.9175.2-79.387.7000111.4L97 L98 T103 A104 L105 P114L97-H101 VanDerWaalsContact CD1-CE1 3.48Å; L97-H101 WeakPolarHBondContact CD1-CE1 3.41Å; L97-H101 PolarHBondContact O-N 3.41Å; L97-H101 PolarHBondContact O-ND1 3.23Å; L98-H101 PolarHBondContact O-N 3Å; H101-T103 VanDerWaalsContact C-N 3.31Å; H101-T103 PolarHBondContact O-N 3.27Å; H101-A104 PolarHBondContact O-N 3.22Å; H101-L105 WeakPolarHBondContact O-CB 3.38Å; H101-L105 WeakPolarHBondContact O-CG 3.48Å; H101-L105 PolarHBondContact O-N 3.24Å; H101-P114 VanDerWaalsContact CE1-CG 3.5Å; H101-P114 WeakPolarHBondContact CE1-CG 3.36Å; H101-P114 PolarHBondContact NE2-O 3.3Å
102I89.4Confident88.1Confident15 Ų1562.8 Ų62.88%0.07731%0.314CS..Hα-helixtrans-57.4-47-179.7-70164.4000110.5L98 L105 K106 D460L98-I102 HydrophobicContact CD1-CD1 3.65Å; L98-I102 HydrophobicContact CD1-CG1 4.06Å; L98-I102 HydrophobicContact CD2-CD1 4.46Å; L98-I102 HydrophobicContact CG-CD1 3.72Å; L98-I102 WeakPolarHBondContact O-CG1 3.31Å; L98-I102 PolarHBondContact O-N 3.48Å; I102-L105 PolarHBondContact O-N 3.05Å; I102-K106 HydrophobicContact CG2-CD 3.75Å; I102-K106 HydrophobicContact CG2-CG 4.24Å; I102-K106 WeakPolarHBondContact O-CB 3.35Å; I102-K106 WeakPolarHBondContact O-CG 3.38Å; I102-K106 PolarHBondContact O-N 3.32Å; I102-D460 HydrophobicContact CD1-CB 4.03Å; I102-D460 WeakPolarHBondContact CG2-OD1 3.49Å
103T91.3Very high88Confident78 Ų7856 Ų5648%0.47929%0.29SS..Hα-helixtrans-61.6-48.2-179.5-58.20000111S99 Q100 H101 L105 L107S99-T103 VanDerWaalsContact O-CB 3.3Å; S99-T103 WeakPolarHBondContact O-CB 3.01Å; S99-T103 PolarHBondContact O-N 3.2Å; S99-T103 PolarHBondContact O-OG1 3.15Å; Q100-T103 PolarHBondContact O-N 3.03Å; H101-T103 VanDerWaalsContact C-N 3.31Å; H101-T103 PolarHBondContact O-N 3.27Å; T103-L105 PolarHBondContact O-N 3.4Å; T103-L107 HydrophobicContact CG2-CD1 3.86Å; T103-L107 WeakPolarHBondContact O-CB 3.41Å; T103-L107 WeakPolarHBondContact O-CG 3.45Å; T103-L107 PolarHBondContact O-N 2.71Å
104A89.7Confident87.9Confident4 Ų454.1 Ų54.13%0.03328%0.282CS..Hα-helixtrans-61.6-43.3179.200000111.9Q100 H101 L107 N108 A109 K112 V113Q100-A104 VanDerWaalsContact O-CB 3.3Å; Q100-A104 WeakPolarHBondContact O-CB 3.33Å; Q100-A104 PolarHBondContact O-N 3.22Å; H101-A104 PolarHBondContact O-N 3.22Å; A104-L107 CarbonylContact O-C 3.55Å; A104-L107 PolarHBondContact O-N 3.46Å; A104-N108 PolarHBondContact O-N 3.25Å; A104-A109 PolarHBondContact O-N 3.27Å; A104-K112 HydrophobicContact CB-CB 4.06Å; A104-V113 HydrophobicContact CB-CB 4.5Å; A104-V113 HydrophobicContact CB-CG2 3.73Å
105L88.8Confident87.6Confident21 Ų2156.6 Ų56.611%0.1130%0.296CS..Hα-helixtrans-71.2-40.8-178.9-67.1174.4000112.7H101 I102 T103 L107 N108 V113 V408 E409 P411 Y580 A582H101-L105 WeakPolarHBondContact O-CB 3.38Å; H101-L105 WeakPolarHBondContact O-CG 3.48Å; H101-L105 PolarHBondContact O-N 3.24Å; I102-L105 PolarHBondContact O-N 3.05Å; T103-L105 PolarHBondContact O-N 3.4Å; L105-L107 VanDerWaalsContact C-N 3.26Å; L105-L107 PolarHBondContact O-N 3.01Å; L105-N108 PolarHBondContact O-N 2.77Å; L105-V113 HydrophobicContact CD2-CG2 3.85Å; L105-V113 HydrophobicContact CG-CG2 4.17Å; L105-V408 HydrophobicContact CD1-CG1 4.36Å; L105-E409 WeakPolarHBondContact CD1-O 3.3Å; L105-P411 HydrophobicContact CB-CG 3.96Å; L105-Y580 HydrophobicContact CD2-CD1 4.37Å; L105-Y580 HydrophobicContact CD2-CE1 3.52Å; L105-A582 HydrophobicContact CD2-CB 4.23Å
106K88.2Confident87.3Confident116 Ų11655.5 Ų55.550%0.50429%0.292SS..Hα-helixtrans-64.2-32.2173.9-75.4-177.7177.9176.40112.5I102 N108 P411 D460I102-K106 HydrophobicContact CG2-CD 3.75Å; I102-K106 HydrophobicContact CG2-CG 4.24Å; I102-K106 WeakPolarHBondContact O-CB 3.35Å; I102-K106 WeakPolarHBondContact O-CG 3.38Å; I102-K106 PolarHBondContact O-N 3.32Å; K106-N108 PolarHBondContact O-N 3.3Å; K106-P411 HydrophobicContact CG-CB 4.17Å; K106-P411 HydrophobicContact CG-CG 4.21Å; K106-D460 WeakPolarHBondContact CE-OD1 3.43Å; K106-D460 IonicContact NZ-OD1 3.97Å; K106-D460 PolarHBondContact NZ-OD1 3.41Å; K106-D460 IonicContact NZ-OD2 3.04Å; K106-D460 PolarHBondContact NZ-OD2 2.98Å
107L87.7Confident87Confident118 Ų11856.5 Ų56.562%0.61829%0.29SS*.THydrogen-bonded Turntrans-82.30.9174-66.3175.5000113.3T103 A104 L105 A109T103-L107 HydrophobicContact CG2-CD1 3.86Å; T103-L107 WeakPolarHBondContact O-CB 3.41Å; T103-L107 WeakPolarHBondContact O-CG 3.45Å; T103-L107 PolarHBondContact O-N 2.71Å; A104-L107 CarbonylContact O-C 3.55Å; A104-L107 PolarHBondContact O-N 3.46Å; L105-L107 VanDerWaalsContact C-N 3.26Å; L105-L107 PolarHBondContact O-N 3.01Å; L107-A109 HydrophobicContact CB-CB 4.33Å; L107-A109 PolarHBondContact O-N 3.32Å
108N83.4Confident86.9Confident105 Ų10554.9 Ų54.956%0.56128%0.282SS*.THydrogen-bonded Turntrans49.541.7-173.7-163.729.9000112.8A104 L105 K106 P110A104-N108 PolarHBondContact O-N 3.25Å; L105-N108 PolarHBondContact O-N 2.77Å; K106-N108 PolarHBondContact O-N 3.3Å; N108-P110 WeakPolarHBondContact O-CD 3.28Å
109A86.5Confident86.7Confident11 Ų1156.3 Ų56.39%0.09129%0.288CS..  trans-113.372.3-178.400000110.1A104 L107 D111 K112A104-A109 PolarHBondContact O-N 3.27Å; L107-A109 HydrophobicContact CB-CB 4.33Å; L107-A109 PolarHBondContact O-N 3.32Å; A109-D111 VanDerWaalsContact C-OD1 3.26Å; A109-D111 WeakPolarHBondContact CA-OD1 3.31Å; A109-D111 PolarHBondContact O-N 3.35Å; A109-K112 HydrophobicContact CB-CB 4.25Å; A109-K112 HydrophobicContact CB-CD 3.95Å; A109-K112 HydrophobicContact CB-CG 4.13Å; A109-K112 PolarHBondContact O-N 3.02Å
110P83.5Confident86.7Confident37 Ų3754.7 Ų54.724%0.2428%0.277CS..G310 helixtrans-61.3-24.4-17725-34.5000113.4L46 N108 K112 V113 Y580L46-P110 HydrophobicContact CD1-CB 3.9Å; L46-P110 HydrophobicContact CD2-CB 3.88Å; N108-P110 WeakPolarHBondContact O-CD 3.28Å; P110-K112 PolarHBondContact O-N 3.13Å; P110-V113 WeakPolarHBondContact O-CB 3.21Å; P110-V113 PolarHBondContact O-N 3.42Å; P110-Y580 HydrophobicContact CB-CD1 4.16Å; P110-Y580 HydrophobicContact CB-CD2 4.3Å; P110-Y580 HydrophobicContact CB-CG 3.98Å; P110-Y580 HydrophobicContact CG-CG 4.37Å
111D83.6Confident86.7Confident131 Ų13149.7 Ų49.770%0.70125%0.253SS*.G310 helixtrans-65.1-21.9173.263.2-53.4000113.4A109A109-D111 VanDerWaalsContact C-OD1 3.26Å; A109-D111 WeakPolarHBondContact CA-OD1 3.31Å; A109-D111 PolarHBondContact O-N 3.35Å
112K86.1Confident86.9Confident137 Ų13751.6 Ų51.660%0.59626%0.26SS*.G310 helixtrans-98.3-3178.6-60.4-177-175.9172.10113.3A104 A109 P110 P114A104-K112 HydrophobicContact CB-CB 4.06Å; A109-K112 HydrophobicContact CB-CB 4.25Å; A109-K112 HydrophobicContact CB-CD 3.95Å; A109-K112 HydrophobicContact CB-CG 4.13Å; A109-K112 PolarHBondContact O-N 3.02Å; P110-K112 PolarHBondContact O-N 3.13Å; K112-P114 WeakPolarHBondContact O-CD 3.3Å
113V86Confident87.1Confident16 Ų1651.8 Ų51.810%0.09726%0.261CS..SBendtrans-68120.5175.8176.40000107.8L46 A104 L105 P110 V408L46-V113 HydrophobicContact CD1-CB 3.95Å; L46-V113 HydrophobicContact CD1-CG1 4.17Å; L46-V113 HydrophobicContact CD1-CG2 4.03Å; A104-V113 HydrophobicContact CB-CB 4.5Å; A104-V113 HydrophobicContact CB-CG2 3.73Å; L105-V113 HydrophobicContact CD2-CG2 3.85Å; L105-V113 HydrophobicContact CG-CG2 4.17Å; P110-V113 WeakPolarHBondContact O-CB 3.21Å; P110-V113 PolarHBondContact O-N 3.42Å; V113-V408 HydrophobicContact CG1-CG2 4.1Å
114P83.9Confident87.2Confident28 Ų2848.1 Ų48.118%0.18224%0.238CC..  trans-66.1150.4179.327.2-32.1000110.3L97 Q100 H101 K112 A116L97-P114 HydrophobicContact CD1-CB 3.91Å; L97-P114 HydrophobicContact CD1-CG 3.6Å; Q100-P114 HydrophobicContact CB-CG 3.95Å; H101-P114 VanDerWaalsContact CE1-CG 3.5Å; H101-P114 WeakPolarHBondContact CE1-CG 3.36Å; H101-P114 PolarHBondContact NE2-O 3.3Å; K112-P114 WeakPolarHBondContact O-CD 3.3Å; P114-A116 PolarHBondContact O-N 2.87Å
115I82.3Confident87.5Confident86 Ų8648 Ų4844%0.44124%0.237SC..  trans-64.2112.6-178-59.9173.5000109.1D40D40-I115 HydrophobicContact CB-CG2 4.49Å
116A82.3Confident87.8Confident4 Ų447.7 Ų47.73%0.03324%0.235CC..PPolyproline II helixtrans-93.3131.6167.900000109.5H39 G45 P114 S118 V408H39-A116 PolarHBondContact CE1-O 3.39Å; G45-A116 WeakPolarHBondContact CA-O 3.42Å; P114-A116 PolarHBondContact O-N 2.87Å; A116-S118 PolarHBondContact O-N 3.19Å; A116-V408 HydrophobicContact CB-CG2 4.37Å
117R83.8Confident88Confident91 Ų9144.4 Ų44.434%0.34322%0.22SC..PPolyproline II helixtrans-62.7135.1175-175.1-177-60.7-178.50.6109.2H39 A121 K405H39-R117 VanDerWaalsContact CE1-CA 3.43Å; H39-R117 WeakPolarHBondContact CE1-CA 3.13Å; R117-A121 HydrophobicContact CG-CB 4.1Å; R117-K405 WeakPolarHBondContact O-CE 3.43Å; R117-K405 PolarHBondContact O-NZ 2.82Å
118S86.8Confident88.3Confident5 Ų538.8 Ų38.84%0.03519%0.191CC..PPolyproline II helixtrans-66.8157.9175.979.60000112H39 G48 A116 S120 A121 K405H39-S118 PolarHBondContact NE2-N 3.42Å; G48-S118 WeakPolarHBondContact O-CB 3.07Å; A116-S118 PolarHBondContact O-N 3.19Å; S118-S120 PolarHBondContact O-N 3.29Å; S118-A121 WeakPolarHBondContact OG-CB 3.44Å; S118-A121 PolarHBondContact OG-N 3.39Å; S118-A121 VanDerWaalsContact OG-N 3.11Å; S118-K405 PolarHBondContact O-NZ 3.3Å
119F86.7Confident88.8Confident35 Ų3533.9 Ų33.915%0.15416%0.164CC..SBendtrans-61.5-34.6174.8-82.8-71.4000112.7V407 V417 Y418 N589 Q592 N596F119-V407 HydrophobicContact CD2-CG1 4.28Å; F119-V407 HydrophobicContact CE2-CB 4.29Å; F119-V407 HydrophobicContact CE2-CG1 3.71Å; F119-V407 HydrophobicContact CE2-CG2 3.96Å; F119-V407 HydrophobicContact CZ-CG1 3.84Å; F119-V407 HydrophobicContact CZ-CG2 4.22Å; F119-V417 HydrophobicContact CE2-CG2 4.23Å; F119-V417 HydrophobicContact CZ-CG2 4.09Å; F119-Y418 AromaticContact CE1-CE1 3.49Å; F119-Y418 HydrophobicContact CE1-CE1 3.49Å; F119-Y418 VanDerWaalsContact CE1-CE1 3.49Å; F119-Y418 AromaticContact CE1-CZ 3.62Å; F119-Y418 WeakPolarHBondContact CE1-OH 3.48Å; F119-Y418 HydrophobicContact CZ-CD1 4.49Å; F119-Y418 AromaticContact CZ-CE1 3.62Å; F119-Y418 HydrophobicContact CZ-CE1 3.62Å; F119-Y418 HydrophobicContact CZ-CE2 4.36Å; F119-Y418 AromaticContact CZ-CZ 3.53Å; F119-Y418 WeakPolarHBondContact CZ-OH 3.48Å; F119-N589 HydrophobicContact CD2-CB 4.46Å; F119-N589 HydrophobicContact CE2-CB 4.07Å; F119-Q592 HydrophobicContact CB-CB 4.15Å; F119-Q592 HydrophobicContact CD2-CB 4.2Å; F119-Q592 HydrophobicContact CG-CB 4.46Å; F119-N596 WeakPolarHBondContact CB-ND2 3.34Å
120S90.4Very high89.1Confident0 Ų038 Ų380%019%0.185CC..SBendtrans-93.4-13.3-169-61.60000113.7N51 S118 R122 K123 V124 Q592N51-S120 WeakPolarHBondContact OD1-CB 3.45Å; S118-S120 PolarHBondContact O-N 3.29Å; S120-R122 VanDerWaalsContact C-N 3.32Å; S120-R122 PolarHBondContact O-N 2.97Å; S120-R122 VanDerWaalsContact O-N 3.16Å; S120-K123 PolarHBondContact O-N 2.92Å; S120-V124 WeakPolarHBondContact O-CG2 3.39Å; S120-V124 PolarHBondContact O-N 3.01Å; S120-Q592 PolarHBondContact OG-OE1 3.23Å
121A91.9Very high89.5Confident1 Ų141.3 Ų41.31%0.00820%0.197CC..Hα-helixtrans-48.5-48.5-173.600000113.9V35 H39 R117 S118 V124 F125V35-A121 HydrophobicContact CG1-CB 4.37Å; H39-A121 HydrophobicContact CB-CB 4.34Å; R117-A121 HydrophobicContact CG-CB 4.1Å; S118-A121 WeakPolarHBondContact OG-CB 3.44Å; S118-A121 PolarHBondContact OG-N 3.39Å; S118-A121 VanDerWaalsContact OG-N 3.11Å; A121-V124 PolarHBondContact O-N 3.13Å; A121-F125 PolarHBondContact O-N 2.92Å
122R92.7Very high90Very high44 Ų4436.2 Ų36.217%0.16617%0.169CC..Hα-helixtrans-66-41179.7-177.8166.3178148.510.7112D32 V35 S120 F125 M126 F391D32-R122 IonicContact OD1-CZ 3.36Å; D32-R122 IonicContact OD1-NH1 2.85Å; D32-R122 PolarHBondContact OD1-NH1 3.29Å; D32-R122 IonicContact OD2-CZ 2.84Å; D32-R122 IonicContact OD2-NH1 3.74Å; D32-R122 PolarHBondContact OD2-NH1 3.13Å; D32-R122 IonicContact OD2-NH2 3.32Å; D32-R122 PolarHBondContact OD2-NH2 3.42Å; V35-R122 HydrophobicContact CG1-CB 4.32Å; S120-R122 VanDerWaalsContact C-N 3.32Å; S120-R122 PolarHBondContact O-N 2.97Å; S120-R122 VanDerWaalsContact O-N 3.16Å; R122-F125 PolarHBondContact O-N 3.08Å; R122-M126 VanDerWaalsContact O-CG 3.29Å; R122-M126 WeakPolarHBondContact O-CG 3.42Å; R122-M126 PolarHBondContact O-N 3.46Å; R122-F391 HydrophobicContact CG-CE1 4.27Å
123K93Very high90.1Very high20 Ų2038 Ų389%0.08718%0.179CC..Hα-helixtrans-66.5-46177.6-75.9-172.1179.5173.80111.4S120 F125 M126 Y127 F391 N596 E599 P623S120-K123 PolarHBondContact O-N 2.92Å; K123-F125 PolarHBondContact O-N 2.85Å; K123-M126 PolarHBondContact O-N 3.35Å; K123-Y127 HydrophobicContact CB-CD2 4.38Å; K123-Y127 HydrophobicContact CB-CE2 4.11Å; K123-Y127 WeakPolarHBondContact O-CD2 3.47Å; K123-Y127 PolarHBondContact O-N 2.67Å; K123-F391 HydrophobicContact CG-CZ 4.09Å; K123-N596 WeakPolarHBondContact CD-OD1 3.49Å; K123-N596 VanDerWaalsContact CE-OD1 3.32Å; K123-N596 WeakPolarHBondContact CE-OD1 3.42Å; K123-N596 PolarHBondContact NZ-OD1 3.02Å; K123-E599 IonicContact NZ-OE2 2.78Å; K123-E599 PolarHBondContact NZ-OE2 3.08Å; K123-P623 HydrophobicContact CB-CG 3.99Å; K123-P623 HydrophobicContact CD-CG 4.29Å
124V94.6Very high90.5Very high0 Ų038.8 Ų38.80%018%0.181CC..Hα-helixtrans-53.2-45.3174.9173.60000110.6N51 I54 Y55 S120 A121 A128 P623 W624N51-V124 HydrophobicContact CB-CG2 3.93Å; I54-V124 HydrophobicContact CB-CG1 4.34Å; I54-V124 HydrophobicContact CG2-CG1 3.95Å; Y55-V124 HydrophobicContact CD2-CG1 4.05Å; Y55-V124 HydrophobicContact CG-CG1 4.39Å; S120-V124 WeakPolarHBondContact O-CG2 3.39Å; S120-V124 PolarHBondContact O-N 3.01Å; A121-V124 PolarHBondContact O-N 3.13Å; V124-A128 PolarHBondContact O-N 2.86Å; V124-A128 VanDerWaalsContact O-N 3.14Å; V124-P623 HydrophobicContact CG2-CB 4.11Å; V124-W624 HydrophobicContact CG2-CB 4.34Å
125F95.6Very high91Very high2 Ų241.3 Ų41.31%0.00919%0.189CC..Hα-helixtrans-61.2-48.8174.8-177.8-81.7000112.7T31 L34 V35 L38 V58 F62 F74 A121 R122 K123 Y127 A128 L129T31-F125 HydrophobicContact CG2-CD1 3.86Å; T31-F125 HydrophobicContact CG2-CE1 3.23Å; T31-F125 HydrophobicContact CG2-CZ 3.76Å; L34-F125 HydrophobicContact CD2-CE2 3.65Å; L34-F125 HydrophobicContact CD2-CZ 3.79Å; L34-F125 HydrophobicContact CG-CE2 3.98Å; L34-F125 HydrophobicContact CG-CZ 4.46Å; V35-F125 HydrophobicContact CG2-CB 3.66Å; V35-F125 HydrophobicContact CG2-CD1 3.75Å; V35-F125 HydrophobicContact CG2-CD2 3.63Å; V35-F125 HydrophobicContact CG2-CE1 4.33Å; V35-F125 HydrophobicContact CG2-CE2 4.2Å; V35-F125 HydrophobicContact CG2-CG 3.38Å; L38-F125 HydrophobicContact CD1-CD2 4.48Å; L38-F125 HydrophobicContact CD1-CE2 4.31Å; V58-F125 HydrophobicContact CB-CD2 4.48Å; V58-F125 HydrophobicContact CG1-CD2 3.71Å; V58-F125 HydrophobicContact CG1-CE2 4.05Å; V58-F125 HydrophobicContact CG1-CG 4.34Å; V58-F125 HydrophobicContact CG2-CD2 3.83Å; F62-F125 HydrophobicContact CE1-CE2 4.19Å; F62-F125 AromaticContact CE1-CZ 4Å; F62-F125 HydrophobicContact CE1-CZ 4Å; F62-F125 HydrophobicContact CZ-CD2 4.43Å; F62-F125 HydrophobicContact CZ-CE1 4.09Å; F62-F125 AromaticContact CZ-CE2 3.79Å; F62-F125 HydrophobicContact CZ-CE2 3.79Å; F62-F125 AromaticContact CZ-CZ 3.59Å; F62-F125 HydrophobicContact CZ-CZ 3.59Å; F74-F125 HydrophobicContact CD1-CZ 4.16Å; F74-F125 AromaticContact CE1-CZ 3.99Å; F74-F125 HydrophobicContact CE1-CZ 3.99Å; A121-F125 PolarHBondContact O-N 2.92Å; R122-F125 PolarHBondContact O-N 3.08Å; K123-F125 PolarHBondContact O-N 2.85Å; F125-Y127 VanDerWaalsContact C-N 3.31Å; F125-Y127 PolarHBondContact O-N 3.35Å; F125-A128 PolarHBondContact O-N 2.99Å; F125-L129 HydrophobicContact CE1-CB 4.38Å; F125-L129 HydrophobicContact CE1-CD1 3.72Å; F125-L129 HydrophobicContact CZ-CD1 4.44Å; F125-L129 WeakPolarHBondContact O-CB 3.3Å; F125-L129 PolarHBondContact O-N 3.44Å
126M94.6Very high91.5Very high15 Ų1538.3 Ų38.37%0.07418%0.176CC..Hα-helixtrans-62.3-37.6-178.7-70.4-54.4-58.500112.5L76 R122 K123 L129 N130 K387L76-M126 HydrophobicContact CD1-CE 3.84Å; L76-M126 HydrophobicContact CD1-SD 3.83Å; L76-M126 HydrophobicContact CD2-SD 3.84Å; L76-M126 HydrophobicContact CG-SD 4.4Å; R122-M126 VanDerWaalsContact O-CG 3.29Å; R122-M126 WeakPolarHBondContact O-CG 3.42Å; R122-M126 PolarHBondContact O-N 3.46Å; K123-M126 PolarHBondContact O-N 3.35Å; M126-L129 PolarHBondContact O-N 2.93Å; M126-N130 VanDerWaalsContact O-CG 3.26Å; M126-N130 PolarHBondContact O-N 3.31Å; M126-N130 PolarHBondContact O-ND2 2.81Å; M126-K387 WeakPolarHBondContact CE-O 3.33Å
127Y92.4Very high92.2Very high47 Ų4738.5 Ų38.518%0.18418%0.176CC..Hα-helixtrans-66.6-45.1175.6-74.1-64.5000112.4K123 F125 L129 N130 E131 E599 Q622 P623K123-Y127 HydrophobicContact CB-CD2 4.38Å; K123-Y127 HydrophobicContact CB-CE2 4.11Å; K123-Y127 WeakPolarHBondContact O-CD2 3.47Å; K123-Y127 PolarHBondContact O-N 2.67Å; F125-Y127 VanDerWaalsContact C-N 3.31Å; F125-Y127 PolarHBondContact O-N 3.35Å; Y127-L129 PolarHBondContact O-N 3.48Å; Y127-N130 PolarHBondContact O-N 3.19Å; Y127-E131 PolarHBondContact O-N 2.85Å; Y127-E599 PolarHBondContact OH-OE1 2.94Å; Y127-Q622 HydrophobicContact CD1-CB 4.39Å; Y127-Q622 HydrophobicContact CD1-CG 3.59Å; Y127-Q622 HydrophobicContact CD2-CB 3.76Å; Y127-Q622 HydrophobicContact CD2-CG 3.9Å; Y127-Q622 HydrophobicContact CE1-CG 3.8Å; Y127-Q622 HydrophobicContact CE2-CB 3.97Å; Y127-Q622 HydrophobicContact CE2-CG 4.11Å; Y127-Q622 HydrophobicContact CG-CB 4.01Å; Y127-Q622 HydrophobicContact CG-CG 3.65Å; Y127-P623 HydrophobicContact CE2-CG 4.45Å
128A93.8Very high92.7Very high0 Ų034.2 Ų34.20%016%0.16CC..Hα-helixtrans-58.2-41.8173.300000110.5Y55 V58 F62 V124 F125 N130 E131 F132Y55-A128 HydrophobicContact CD2-CB 3.93Å; Y55-A128 HydrophobicContact CE2-CB 3.67Å; V58-A128 HydrophobicContact CB-CB 4.21Å; V58-A128 HydrophobicContact CG1-CB 3.55Å; F62-A128 HydrophobicContact CD2-CB 4.29Å; F62-A128 HydrophobicContact CE2-CB 3.87Å; V124-A128 PolarHBondContact O-N 2.86Å; V124-A128 VanDerWaalsContact O-N 3.14Å; F125-A128 PolarHBondContact O-N 2.99Å; A128-N130 VanDerWaalsContact C-N 3.31Å; A128-N130 PolarHBondContact O-N 2.97Å; A128-E131 VanDerWaalsContact O-CB 3.28Å; A128-E131 WeakPolarHBondContact O-CB 3.23Å; A128-E131 PolarHBondContact O-N 3.01Å; A128-E131 VanDerWaalsContact O-N 3.14Å; A128-F132 VanDerWaalsContact O-CD2 3.26Å; A128-F132 WeakPolarHBondContact O-CD2 3.41Å
129L95.2Very high93Very high2 Ų234 Ų341%0.0116%0.158CC..Hα-helixtrans-61.4-41.2179.8-177.1152.4000111.8F62 F74 F125 M126 Y127 E131 F132 Q133 F134 C136F62-L129 HydrophobicContact CE2-CB 3.98Å; F62-L129 HydrophobicContact CZ-CB 4.03Å; F74-L129 HydrophobicContact CB-CD1 3.91Å; F74-L129 HydrophobicContact CD1-CD1 4.22Å; F74-L129 HydrophobicContact CD2-CD1 3.48Å; F74-L129 VanDerWaalsContact CD2-CD1 3.48Å; F74-L129 HydrophobicContact CD2-CG 4.27Å; F74-L129 HydrophobicContact CE2-CD1 4.01Å; F74-L129 HydrophobicContact CG-CD1 3.59Å; F125-L129 HydrophobicContact CE1-CB 4.38Å; F125-L129 HydrophobicContact CE1-CD1 3.72Å; F125-L129 HydrophobicContact CZ-CD1 4.44Å; F125-L129 WeakPolarHBondContact O-CB 3.3Å; F125-L129 PolarHBondContact O-N 3.44Å; M126-L129 PolarHBondContact O-N 2.93Å; Y127-L129 PolarHBondContact O-N 3.48Å; L129-E131 VanDerWaalsContact C-N 3.26Å; L129-E131 PolarHBondContact O-N 3.32Å; L129-F132 PolarHBondContact O-N 3.09Å; L129-Q133 PolarHBondContact O-N 3.24Å; L129-F134 HydrophobicContact CG-CB 4.47Å; L129-C136 HydrophobicContact CD1-CB 3.87Å; L129-C136 HydrophobicContact CD2-CB 3.62Å; L129-C136 HydrophobicContact CG-CB 4.42Å
130N91.9Very high92.9Very high98 Ų9834.3 Ų34.352%0.52416%0.16SC..Hα-helixtrans-64.2-30.7178-70.5-20.9000112.6M126 Y127 A128 F132 Q133M126-N130 VanDerWaalsContact O-CG 3.26Å; M126-N130 PolarHBondContact O-N 3.31Å; M126-N130 PolarHBondContact O-ND2 2.81Å; Y127-N130 PolarHBondContact O-N 3.19Å; A128-N130 VanDerWaalsContact C-N 3.31Å; A128-N130 PolarHBondContact O-N 2.97Å; N130-F132 VanDerWaalsContact C-N 3.28Å; N130-F132 PolarHBondContact O-N 3.28Å; N130-Q133 PolarHBondContact O-N 2.76Å
131E92.4Very high92.6Very high105 Ų10534.9 Ų34.949%0.49116%0.164SC..Hα-helixtrans-63.2-35.1176-135.3-177.1-147.700111.8Y55 R59 Y127 A128 L129Y55-E131 PolarHBondContact OH-OE1 3.47Å; Y55-E131 PolarHBondContact OH-OE2 3.04Å; R59-E131 IonicContact NE-OE2 2.75Å; Y127-E131 PolarHBondContact O-N 2.85Å; A128-E131 VanDerWaalsContact O-CB 3.28Å; A128-E131 WeakPolarHBondContact O-CB 3.23Å; A128-E131 PolarHBondContact O-N 3.01Å; A128-E131 VanDerWaalsContact O-N 3.14Å; L129-E131 VanDerWaalsContact C-N 3.26Å; L129-E131 PolarHBondContact O-N 3.32Å
132F94Very high92.3Very high24 Ų2435.6 Ų35.611%0.10517%0.167CC..THydrogen-bonded Turntrans-91.6-4.7-179.2-71.8-104.8000113.4R59 F62 L63 Q66 A128 L129 N130 F134R59-F132 HydrophobicContact CG-CE2 3.88Å; R59-F132 HydrophobicContact CG-CZ 3.82Å; F62-F132 HydrophobicContact CB-CD1 3.62Å; F62-F132 HydrophobicContact CB-CD2 3.9Å; F62-F132 HydrophobicContact CB-CE1 3.56Å; F62-F132 HydrophobicContact CB-CE2 3.86Å; F62-F132 HydrophobicContact CB-CG 3.8Å; F62-F132 HydrophobicContact CB-CZ 3.7Å; F62-F132 AromaticContact CD2-CD2 3.67Å; F62-F132 HydrophobicContact CD2-CD2 3.67Å; F62-F132 AromaticContact CD2-CE2 3.96Å; F62-F132 HydrophobicContact CD2-CE2 3.96Å; F62-F132 HydrophobicContact CD2-CG 4.11Å; F62-F132 HydrophobicContact CG-CD2 4.21Å; F62-F132 HydrophobicContact CG-CE2 4.43Å; F62-F132 HydrophobicContact CG-CG 4.28Å; L63-F132 HydrophobicContact CD2-CE1 3.86Å; L63-F132 HydrophobicContact CD2-CZ 4.08Å; L63-F132 HydrophobicContact CG-CE1 3.93Å; L63-F132 HydrophobicContact CG-CZ 3.84Å; Q66-F132 HydrophobicContact CG-CD1 4.25Å; A128-F132 VanDerWaalsContact O-CD2 3.26Å; A128-F132 WeakPolarHBondContact O-CD2 3.41Å; L129-F132 PolarHBondContact O-N 3.09Å; N130-F132 VanDerWaalsContact C-N 3.28Å; N130-F132 PolarHBondContact O-N 3.28Å; F132-F134 HydrophobicContact CB-CD2 3.59Å; F132-F134 HydrophobicContact CB-CE2 3.62Å; F132-F134 HydrophobicContact CB-CG 4.09Å; F132-F134 HydrophobicContact CB-CZ 4.12Å; F132-F134 AromaticContact CD1-CE2 3.99Å; F132-F134 HydrophobicContact CD1-CE2 3.99Å; F132-F134 HydrophobicContact CD1-CZ 4.17Å; F132-F134 HydrophobicContact CG-CD2 4.39Å; F132-F134 HydrophobicContact CG-CE2 4.02Å; F132-F134 PolarHBondContact O-N 3.39Å; F132-F134 VanDerWaalsContact O-N 3.11Å
133Q88.9Confident92.1Very high174 Ų17433.6 Ų33.681%0.81316%0.16SC*.THydrogen-bonded Turntrans54.726.9-179.1-55.2-176.6-4.200114.3L129 N130L129-Q133 PolarHBondContact O-N 3.24Å; N130-Q133 PolarHBondContact O-N 2.76Å
134F93.9Very high92Very high34 Ų3433 Ų3315%0.14916%0.158CC..  trans-69.5149.9176.8-67.3-41.5000112F62 Q66 P72 F74 L129 F132 C136F62-F134 HydrophobicContact CB-CE2 3.83Å; F62-F134 HydrophobicContact CD1-CD2 4.18Å; F62-F134 AromaticContact CD1-CE2 3.96Å; F62-F134 HydrophobicContact CD1-CE2 3.96Å; F62-F134 HydrophobicContact CG-CD2 4.28Å; F62-F134 AromaticContact CG-CE2 3.92Å; F62-F134 HydrophobicContact CG-CE2 3.92Å; Q66-F134 HydrophobicContact CG-CE1 4.36Å; Q66-F134 HydrophobicContact CG-CZ 3.79Å; P72-F134 HydrophobicContact CG-CB 4.1Å; P72-F134 HydrophobicContact CG-CD1 3.62Å; P72-F134 HydrophobicContact CG-CD2 3.73Å; P72-F134 HydrophobicContact CG-CE1 3.83Å; P72-F134 HydrophobicContact CG-CE2 3.9Å; P72-F134 HydrophobicContact CG-CG 3.56Å; P72-F134 HydrophobicContact CG-CZ 3.95Å; F74-F134 HydrophobicContact CD2-CB 3.91Å; F74-F134 HydrophobicContact CE2-CB 3.69Å; F74-F134 AromaticContact CE2-CD2 3.74Å; F74-F134 HydrophobicContact CE2-CD2 3.74Å; F74-F134 HydrophobicContact CE2-CG 4.02Å; F74-F134 HydrophobicContact CZ-CD2 4.44Å; L129-F134 HydrophobicContact CG-CB 4.47Å; F132-F134 HydrophobicContact CB-CD2 3.59Å; F132-F134 HydrophobicContact CB-CE2 3.62Å; F132-F134 HydrophobicContact CB-CG 4.09Å; F132-F134 HydrophobicContact CB-CZ 4.12Å; F132-F134 AromaticContact CD1-CE2 3.99Å; F132-F134 HydrophobicContact CD1-CE2 3.99Å; F132-F134 HydrophobicContact CD1-CZ 4.17Å; F132-F134 HydrophobicContact CG-CD2 4.39Å; F132-F134 HydrophobicContact CG-CE2 4.02Å; F132-F134 PolarHBondContact O-N 3.39Å; F132-F134 VanDerWaalsContact O-N 3.11Å; F134-C136 PolarHBondContact O-N 2.99Å
135K93.2Very high91.7Very high80 Ų8033.2 Ų33.235%0.34816%0.159SC..EExtended strand (participates in β ladder)trans-68.7125.9179.6-65.9175.5-178.4172.60109.8E71 Y73 F74 L331E71-K135 IonicContact OE1-NZ 3.51Å; E71-K135 PolarHBondContact OE1-NZ 3.49Å; Y73-K135 HydrophobicContact CD1-CB 4.41Å; Y73-K135 HydrophobicContact CD1-CD 3.97Å; Y73-K135 HydrophobicContact CE1-CD 3.55Å; Y73-K135 PolarHBondContact OH-NZ 3.33Å; F74-K135 WeakPolarHBondContact CB-O 3.17Å; F74-K135 PolarHBondContact N-O 2.98Å; K135-L331 HydrophobicContact CB-CD2 3.97Å; K135-L331 WeakPolarHBondContact CD-O 3.37Å; K135-L331 WeakPolarHBondContact CE-O 3.46Å; K135-L331 PolarHBondContact NZ-O 3.1Å
136C94.6Very high91.4Very high24 Ų2433.1 Ų33.116%0.16216%0.159CC..EExtended strand (participates in β ladder)trans-140.2131179.2-172.60000110.9F74 L76 L129 F134F74-C136 HydrophobicContact CB-CB 3.94Å; F74-C136 CarbonylContact O-C 3.49Å; F74-C136 VanDerWaalsContact O-CA 3.31Å; F74-C136 WeakPolarHBondContact O-CA 3.36Å; L76-C136 WeakPolarHBondContact CD1-SG 3.22Å; L129-C136 HydrophobicContact CD1-CB 3.87Å; L129-C136 HydrophobicContact CD2-CB 3.62Å; L129-C136 HydrophobicContact CG-CB 4.42Å; F134-C136 PolarHBondContact O-N 2.99Å
137I95.4Very high91.4Very high7 Ų732.4 Ų32.44%0.03616%0.155CC..EExtended strand (participates in β ladder)trans-141134.6-179.6-171.4160.6000111.8F74 I75 L76 V327 L330 L331 R386F74-I137 PolarHBondContact O-N 2.68Å; I75-I137 CarbonylContact C-O 3.5Å; I75-I137 WeakPolarHBondContact CA-O 3.35Å; I75-I137 HydrophobicContact CD1-CG2 3.61Å; L76-I137 PolarHBondContact N-O 2.6Å; I137-V327 HydrophobicContact CD1-CB 4.44Å; I137-V327 HydrophobicContact CD1-CG1 4.2Å; I137-V327 HydrophobicContact CD1-CG2 4.21Å; I137-V327 HydrophobicContact CG2-CG1 3.76Å; I137-L330 HydrophobicContact CD1-CB 3.7Å; I137-L330 HydrophobicContact CD1-CD1 3.46Å; I137-L330 VanDerWaalsContact CD1-CD1 3.46Å; I137-L330 HydrophobicContact CD1-CG 4.23Å; I137-L331 HydrophobicContact CB-CD2 4.31Å; I137-L331 HydrophobicContact CG2-CD1 3.99Å; I137-L331 HydrophobicContact CG2-CD2 3.85Å; I137-L331 HydrophobicContact CG2-CG 4.09Å; I137-R386 CarbonylContact C-O 3.56Å; I137-R386 WeakPolarHBondContact CA-O 3.34Å
138R94.8Very high91.3Very high1 Ų130.4 Ų30.40%0.00415%0.148CC..EExtended strand (participates in β ladder)trans-86.5129.3172.2-170.2-173.4-63.4-91.25.1110.6L76 R77 F385 R386 G388 P392L76-R138 HydrophobicContact CB-CB 3.92Å; L76-R138 HydrophobicContact CB-CG 4.07Å; L76-R138 HydrophobicContact CD1-CB 4.43Å; L76-R138 CarbonylContact O-C 3.51Å; L76-R138 VanDerWaalsContact O-CA 3.31Å; L76-R138 WeakPolarHBondContact O-CA 3.41Å; R77-R138 PolarHBondContact O-NH1 3.5Å; R138-F385 WeakPolarHBondContact CB-O 3.32Å; R138-F385 VanDerWaalsContact CD-CZ 3.48Å; R138-F385 WeakPolarHBondContact CD-O 3.14Å; R138-F385 HydrophobicContact CG-CE1 4.29Å; R138-F385 HydrophobicContact CG-CZ 4.22Å; R138-F385 PolarHBondContact NE-O 3.4Å; R138-F385 VanDerWaalsContact NE-O 3.09Å; R138-R386 WeakPolarHBondContact CB-O 3.47Å; R138-R386 PolarHBondContact N-O 2.79Å; R138-R386 WeakPolarHBondContact O-CD 3.34Å; R138-R386 PolarHBondContact O-NH1 3.11Å; R138-G388 PolarHBondContact NH2-O 3.09Å; R138-G388 VanDerWaalsContact NH2-O 3.16Å; R138-P392 VanDerWaalsContact NH1-CD 3.32Å
139V92.3Very high91Very high0 Ų030.6 Ų30.60%015%0.15CC..EExtended strand (participates in β ladder)trans-104.1147.8-177.6-58.70000111.8I75 L76 G78 C79 S141 P143 V146 E323 V327I75-V139 HydrophobicContact CG2-CB 4.38Å; I75-V139 HydrophobicContact CG2-CG1 3.6Å; I75-V139 HydrophobicContact CG2-CG2 3.82Å; L76-V139 WeakPolarHBondContact O-CG2 3.24Å; L76-V139 PolarHBondContact O-N 2.98Å; G78-V139 CarbonylContact C-O 3.54Å; G78-V139 VanDerWaalsContact C-O 3.3Å; G78-V139 WeakPolarHBondContact CA-O 3.15Å; G78-V139 PolarHBondContact N-O 3Å; C79-V139 PolarHBondContact N-O 3.21Å; V139-S141 VanDerWaalsContact C-N 3.35Å; V139-S141 WeakPolarHBondContact CG2-O 3.3Å; V139-P143 HydrophobicContact CG2-CB 4.4Å; V139-V146 HydrophobicContact CB-CG1 4.49Å; V139-V146 HydrophobicContact CB-CG2 4.36Å; V139-V146 HydrophobicContact CG1-CB 4.41Å; V139-V146 HydrophobicContact CG1-CG1 3.83Å; V139-V146 HydrophobicContact CG2-CB 4.49Å; V139-V146 HydrophobicContact CG2-CG2 4.35Å; V139-E323 WeakPolarHBondContact CA-OE1 3.02Å; V139-V327 HydrophobicContact CG1-CG1 4.48Å; V139-V327 HydrophobicContact CG1-CG2 3.8Å
140K85.5Confident90.8Very high43 Ų4330.5 Ų30.519%0.18715%0.149CC..SBendtrans-82.9-16.3178.4-62172.9178.8-171.60112.5C79 E323 D372 T374 F385 R386C79-K140 VanDerWaalsContact CA-O 3.26Å; C79-K140 WeakPolarHBondContact CA-O 3.19Å; C79-K140 WeakPolarHBondContact CB-O 3.17Å; K140-E323 PolarHBondContact N-OE1 3.03Å; K140-D372 IonicContact NZ-OD1 3.69Å; K140-D372 PolarHBondContact NZ-OD1 3.38Å; K140-D372 IonicContact NZ-OD2 3.46Å; K140-D372 PolarHBondContact NZ-OD2 2.81Å; K140-T374 WeakPolarHBondContact CE-OG1 3.36Å; K140-T374 PolarHBondContact NZ-OG1 3.13Å; K140-F385 HydrophobicContact CG-CE1 4.49Å; K140-R386 VanDerWaalsContact CE-NH2 3.26Å
141S83.1Confident90.8Very high12 Ų1225.9 Ų25.98%0.08412%0.124CC..SBendtrans-101.5-180-179.2-60.30000112.6V139V139-S141 VanDerWaalsContact C-N 3.35Å; V139-S141 WeakPolarHBondContact CG2-O 3.3Å
142F85.5Confident90.6Very high15 Ų1521.5 Ų21.57%0.06611%0.105CC..  trans-60.4125.3173.3-63.6-66.3000110.3A144 T145 V146 R316 W369F142-A144 VanDerWaalsContact C-N 3.33Å; F142-A144 PolarHBondContact O-N 2.97Å; F142-T145 PolarHBondContact O-N 2.9Å; F142-V146 PolarHBondContact O-N 3.08Å; F142-R316 HydrophobicContact CD2-CB 4.39Å; F142-R316 HydrophobicContact CD2-CG 4.05Å; F142-R316 HydrophobicContact CE2-CG 3.77Å; F142-R316 HydrophobicContact CZ-CG 4.04Å; F142-W369 HydrophobicContact CD2-CZ3 4.11Å
143P90.4Very high90.2Very high3 Ų320.8 Ų20.82%0.01910%0.102CC..Hα-helixtrans-62-40.5-17423.9-34000111.7D30 I75 R77 V139 T145 V146 C147D30-P143 WeakPolarHBondContact OD2-CB 3.42Å; I75-P143 HydrophobicContact CG2-CB 4.48Å; R77-P143 HydrophobicContact CB-CG 4.2Å; R77-P143 HydrophobicContact CG-CG 4.33Å; V139-P143 HydrophobicContact CG2-CB 4.4Å; P143-T145 VanDerWaalsContact C-N 3.27Å; P143-T145 PolarHBondContact O-N 3.14Å; P143-V146 PolarHBondContact O-N 2.99Å; P143-C147 VanDerWaalsContact O-CB 3.3Å; P143-C147 WeakPolarHBondContact O-CB 3.36Å; P143-C147 PolarHBondContact O-N 3.2Å; P143-C147 PolarHBondContact O-SG 2.79Å
144A90.7Very high90.2Very high6 Ų613.3 Ų13.35%0.057%0.067CC..Hα-helixtrans-55.4-42-177.900000113.4F142 T148 D164 Y165 L168F142-A144 VanDerWaalsContact C-N 3.33Å; F142-A144 PolarHBondContact O-N 2.97Å; A144-T148 WeakPolarHBondContact O-CB 3.44Å; A144-T148 PolarHBondContact O-N 3.47Å; A144-T148 PolarHBondContact O-OG1 3.04Å; A144-D164 HydrophobicContact CB-CB 4.37Å; A144-Y165 WeakPolarHBondContact CA-OH 3.26Å; A144-Y165 HydrophobicContact CB-CD1 4.44Å; A144-Y165 HydrophobicContact CB-CE1 3.97Å; A144-Y165 HydrophobicContact CB-CE2 4.18Å; A144-Y165 WeakPolarHBondContact O-CE1 3.5Å; A144-L168 HydrophobicContact CB-CD1 3.89Å
145T87.7Confident90Very high5 Ų516.7 Ų16.73%0.0318%0.083CC..Hα-helixtrans-73.5-42-178.3-28.10000111.9F142 P143 T148 A149 L168 R316 V318F142-T145 PolarHBondContact O-N 2.9Å; P143-T145 VanDerWaalsContact C-N 3.27Å; P143-T145 PolarHBondContact O-N 3.14Å; T145-T148 PolarHBondContact O-N 3.3Å; T145-A149 WeakPolarHBondContact O-CB 2.88Å; T145-A149 PolarHBondContact O-N 3.18Å; T145-L168 HydrophobicContact CG2-CD2 4.05Å; T145-R316 PolarHBondContact OG1-O 3.41Å; T145-V318 WeakPolarHBondContact CG2-O 3.13Å
146V90Very high89.9Confident0 Ų013.1 Ų13.10%07%0.068CC..Hα-helixtrans-66.5-45.3175.8179.70000110.7V139 F142 P143 T148 A149 I150 P320 E323V139-V146 HydrophobicContact CB-CG1 4.49Å; V139-V146 HydrophobicContact CB-CG2 4.36Å; V139-V146 HydrophobicContact CG1-CB 4.41Å; V139-V146 HydrophobicContact CG1-CG1 3.83Å; V139-V146 HydrophobicContact CG2-CB 4.49Å; V139-V146 HydrophobicContact CG2-CG2 4.35Å; F142-V146 PolarHBondContact O-N 3.08Å; P143-V146 PolarHBondContact O-N 2.99Å; V146-T148 VanDerWaalsContact C-N 3.3Å; V146-T148 PolarHBondContact O-N 3.21Å; V146-A149 PolarHBondContact O-N 2.87Å; V146-I150 HydrophobicContact CG1-CD1 3.58Å; V146-I150 HydrophobicContact CG1-CG1 4.23Å; V146-I150 VanDerWaalsContact O-CG1 3.28Å; V146-I150 WeakPolarHBondContact O-CG1 3.2Å; V146-I150 PolarHBondContact O-N 2.96Å; V146-P320 HydrophobicContact CG2-CG 3.6Å; V146-E323 HydrophobicContact CG2-CG 4.43Å
147C93.3Very high90Very high0 Ų012.2 Ų12.20%06%0.062CC..Hα-helixtrans-55.3-46.9175.3-69.70000111.4V28 I75 P143 I150 A151 V158 Y165V28-C147 HydrophobicContact CG1-CB 3.82Å; I75-C147 WeakPolarHBondContact CB-SG 2.86Å; P143-C147 VanDerWaalsContact O-CB 3.3Å; P143-C147 WeakPolarHBondContact O-CB 3.36Å; P143-C147 PolarHBondContact O-N 3.2Å; P143-C147 PolarHBondContact O-SG 2.79Å; C147-I150 PolarHBondContact O-N 2.77Å; C147-A151 VanDerWaalsContact O-CB 3.23Å; C147-A151 WeakPolarHBondContact O-CB 3.35Å; C147-A151 PolarHBondContact O-N 3.09Å; C147-V158 HydrophobicContact CB-CG2 3.81Å; C147-Y165 HydrophobicContact CB-CE1 4.13Å; C147-Y165 WeakPolarHBondContact CB-OH 3.3Å
148T91.1Very high90Very high6 Ų611.9 Ų11.94%0.0376%0.061CC..Hα-helixtrans-62.8-46.5178.9-59.80000111.2A144 T145 V146 I150 A151 I152 L168 M169 P187A144-T148 WeakPolarHBondContact O-CB 3.44Å; A144-T148 PolarHBondContact O-N 3.47Å; A144-T148 PolarHBondContact O-OG1 3.04Å; T145-T148 PolarHBondContact O-N 3.3Å; V146-T148 VanDerWaalsContact C-N 3.3Å; V146-T148 PolarHBondContact O-N 3.21Å; T148-I150 PolarHBondContact O-N 3Å; T148-A151 PolarHBondContact O-N 3.28Å; T148-I152 HydrophobicContact CG2-CD1 3.97Å; T148-I152 VanDerWaalsContact O-CG1 3.29Å; T148-I152 WeakPolarHBondContact O-CG1 3.18Å; T148-I152 PolarHBondContact O-N 2.77Å; T148-L168 HydrophobicContact CG2-CB 4.09Å; T148-M169 HydrophobicContact CG2-CE 3.4Å; T148-M169 VanDerWaalsContact CG2-CE 3.4Å; T148-M169 VanDerWaalsContact OG1-CE 3.24Å; T148-M169 WeakPolarHBondContact OG1-CE 3.17Å; T148-P187 HydrophobicContact CG2-CG 4.06Å
149A87.7Confident90.1Very high4 Ų411.9 Ų11.93%0.0336%0.061CC..Hα-helixtrans-61.5-44.7-179.800000112T145 V146 I152 I153 C319 T324T145-A149 WeakPolarHBondContact O-CB 2.88Å; T145-A149 PolarHBondContact O-N 3.18Å; V146-A149 PolarHBondContact O-N 2.87Å; A149-I152 PolarHBondContact O-N 3.28Å; A149-I153 WeakPolarHBondContact O-CD1 3.26Å; A149-I153 VanDerWaalsContact O-CG1 3.31Å; A149-I153 WeakPolarHBondContact O-CG1 3.41Å; A149-I153 PolarHBondContact O-N 2.83Å; A149-I153 VanDerWaalsContact O-N 3.08Å; A149-C319 VanDerWaalsContact CB-SG 3.55Å; A149-T324 HydrophobicContact CB-CG2 3.76Å
150I90.4Very high90.3Very high0 Ų011.9 Ų11.90%06%0.061CC..Hα-helixtrans-63.5-43176.2-65.7169.3000110.8V28 I75 V146 C147 T148 I152 I153 L154 T324 V327 M328 L331V28-I150 HydrophobicContact CG1-CG2 4.49Å; V28-I150 HydrophobicContact CG2-CB 4.2Å; V28-I150 HydrophobicContact CG2-CG2 3.62Å; I75-I150 HydrophobicContact CD1-CD1 3.7Å; I75-I150 HydrophobicContact CG1-CD1 4.35Å; V146-I150 HydrophobicContact CG1-CD1 3.58Å; V146-I150 HydrophobicContact CG1-CG1 4.23Å; V146-I150 VanDerWaalsContact O-CG1 3.28Å; V146-I150 WeakPolarHBondContact O-CG1 3.2Å; V146-I150 PolarHBondContact O-N 2.96Å; C147-I150 PolarHBondContact O-N 2.77Å; T148-I150 PolarHBondContact O-N 3Å; I150-I152 VanDerWaalsContact C-N 3.27Å; I150-I152 PolarHBondContact O-N 3Å; I150-I153 PolarHBondContact O-N 3.16Å; I150-L154 HydrophobicContact CG2-CD1 3.65Å; I150-L154 HydrophobicContact CG2-CG 4.15Å; I150-L154 WeakPolarHBondContact O-CB 3.06Å; I150-L154 WeakPolarHBondContact O-CG 3.26Å; I150-L154 PolarHBondContact O-N 2.84Å; I150-T324 HydrophobicContact CG1-CG2 4.38Å; I150-V327 HydrophobicContact CD1-CB 4.47Å; I150-V327 HydrophobicContact CD1-CG1 3.48Å; I150-V327 VanDerWaalsContact CD1-CG1 3.48Å; I150-M328 HydrophobicContact CB-SD 4.21Å; I150-M328 HydrophobicContact CG1-CG 4.4Å; I150-M328 HydrophobicContact CG1-SD 3.9Å; I150-M328 HydrophobicContact CG2-SD 3.77Å; I150-L331 HydrophobicContact CD1-CD1 4.09Å
151A91.6Very high90.7Very high0 Ų012.4 Ų12.40%07%0.065CC..Hα-helixtrans-62.1-35.3178.700000112.2V28 C147 T148 Q155 C156 V158 P187V28-A151 HydrophobicContact CB-CB 4.25Å; V28-A151 HydrophobicContact CG2-CB 3.94Å; C147-A151 VanDerWaalsContact O-CB 3.23Å; C147-A151 WeakPolarHBondContact O-CB 3.35Å; C147-A151 PolarHBondContact O-N 3.09Å; T148-A151 PolarHBondContact O-N 3.28Å; A151-Q155 WeakPolarHBondContact O-CA 3.12Å; A151-Q155 PolarHBondContact O-N 3.1Å; A151-C156 PolarHBondContact O-N 3.11Å; A151-V158 HydrophobicContact CB-CB 4Å; A151-P187 HydrophobicContact CB-CB 4.36Å
152I88Confident91Very high14 Ų1412.1 Ų12.17%0.0726%0.063CC..Hα-helixtrans-66.2-48.5173.1-65.1164.9000110.8T148 A149 I150 L154 Q155 L176 Y184 P187T148-I152 HydrophobicContact CG2-CD1 3.97Å; T148-I152 VanDerWaalsContact O-CG1 3.29Å; T148-I152 WeakPolarHBondContact O-CG1 3.18Å; T148-I152 PolarHBondContact O-N 2.77Å; A149-I152 PolarHBondContact O-N 3.28Å; I150-I152 VanDerWaalsContact C-N 3.27Å; I150-I152 PolarHBondContact O-N 3Å; I152-L154 VanDerWaalsContact C-N 3.35Å; I152-L154 PolarHBondContact O-N 3.39Å; I152-Q155 PolarHBondContact O-N 3.39Å; I152-Q155 VanDerWaalsContact O-N 3.13Å; I152-L176 HydrophobicContact CB-CD2 3.79Å; I152-L176 HydrophobicContact CD1-CD2 4.05Å; I152-L176 HydrophobicContact CG2-CD2 3.42Å; I152-L176 VanDerWaalsContact CG2-CD2 3.42Å; I152-Y184 HydrophobicContact CG2-CD1 4.43Å; I152-Y184 HydrophobicContact CG2-CD2 3.49Å; I152-Y184 VanDerWaalsContact CG2-CD2 3.49Å; I152-Y184 HydrophobicContact CG2-CE2 4.16Å; I152-Y184 HydrophobicContact CG2-CG 3.66Å; I152-P187 HydrophobicContact CD1-CG 3.98Å; I152-P187 HydrophobicContact CG1-CB 3.93Å; I152-P187 HydrophobicContact CG1-CG 3.51Å
153I86.9Confident91.3Very high9 Ų911.5 Ų11.55%0.0466%0.061CC..Hα-helixtrans-60.5-45.7-179.1-67.1162000110.8A149 I150 Q155 I180 T324 M328 Y336 F337A149-I153 WeakPolarHBondContact O-CD1 3.26Å; A149-I153 VanDerWaalsContact O-CG1 3.31Å; A149-I153 WeakPolarHBondContact O-CG1 3.41Å; A149-I153 PolarHBondContact O-N 2.83Å; A149-I153 VanDerWaalsContact O-N 3.08Å; I150-I153 PolarHBondContact O-N 3.16Å; I153-Q155 PolarHBondContact O-N 3.07Å; I153-I180 HydrophobicContact CG1-CD1 3.57Å; I153-I180 HydrophobicContact CG1-CG1 4.47Å; I153-T324 HydrophobicContact CD1-CG2 3.75Å; I153-M328 HydrophobicContact CD1-CG 3.94Å; I153-M328 HydrophobicContact CD1-SD 4.39Å; I153-M328 HydrophobicContact CG2-CE 3.7Å; I153-M328 HydrophobicContact CG2-SD 4.31Å; I153-Y336 HydrophobicContact CG2-CD1 3.46Å; I153-Y336 VanDerWaalsContact CG2-CD1 3.46Å; I153-Y336 HydrophobicContact CG2-CD2 3.88Å; I153-Y336 HydrophobicContact CG2-CE1 4Å; I153-Y336 HydrophobicContact CG2-CE2 4.34Å; I153-Y336 HydrophobicContact CG2-CG 3.38Å; I153-F337 HydrophobicContact CD1-CE1 4.09Å; I153-F337 HydrophobicContact CD1-CE2 4.44Å; I153-F337 HydrophobicContact CD1-CZ 3.6Å
154L89Confident91.3Very high17 Ų1711.7 Ų11.79%0.0896%0.062CC..THydrogen-bonded Turntrans-80.7-1.1179.2-64.5-179.3000113.7V28 Y73 I150 I152 C156 M328 Y336V28-L154 HydrophobicContact CG2-CD1 4.44Å; Y73-L154 HydrophobicContact CD1-CD1 4.19Å; Y73-L154 HydrophobicContact CD2-CD1 3.98Å; Y73-L154 HydrophobicContact CE1-CD1 4.14Å; Y73-L154 HydrophobicContact CE2-CD1 3.99Å; Y73-L154 HydrophobicContact CG-CD1 4.11Å; I150-L154 HydrophobicContact CG2-CD1 3.65Å; I150-L154 HydrophobicContact CG2-CG 4.15Å; I150-L154 WeakPolarHBondContact O-CB 3.06Å; I150-L154 WeakPolarHBondContact O-CG 3.26Å; I150-L154 PolarHBondContact O-N 2.84Å; I152-L154 VanDerWaalsContact C-N 3.35Å; I152-L154 PolarHBondContact O-N 3.39Å; L154-C156 VanDerWaalsContact C-N 3.28Å; L154-C156 HydrophobicContact CB-CB 4.41Å; L154-C156 PolarHBondContact O-N 2.7Å; L154-M328 HydrophobicContact CD2-CE 3.9Å; L154-M328 HydrophobicContact CG-CE 4.28Å; L154-Y336 HydrophobicContact CD2-CE2 4.31Å
155Q88.4Confident91.4Very high104 Ų10411.4 Ų11.449%0.4866%0.059SC..THydrogen-bonded Turntrans48.745.8-176-57.2-171.9900113.6A151 I152 I153A151-Q155 WeakPolarHBondContact O-CA 3.12Å; A151-Q155 PolarHBondContact O-N 3.1Å; I152-Q155 PolarHBondContact O-N 3.39Å; I152-Q155 VanDerWaalsContact O-N 3.13Å; I153-Q155 PolarHBondContact O-N 3.07Å
156C92.4Very high91.5Very high5 Ų511.2 Ų11.23%0.0346%0.058CC..  trans-131.8166.3-171.976.20000112.8K26 A151 L154K26-C156 HydrophobicContact CB-CB 3.79Å; K26-C156 VanDerWaalsContact O-CB 3.29Å; K26-C156 WeakPolarHBondContact O-CB 2.96Å; A151-C156 PolarHBondContact O-N 3.11Å; L154-C156 VanDerWaalsContact C-N 3.28Å; L154-C156 HydrophobicContact CB-CB 4.41Å; L154-C156 PolarHBondContact O-N 2.7Å
157P95.4Very high91.5Very high6 Ų611.2 Ų11.24%0.0396%0.058CC..  trans-69157.9176.7-19.233.2000113.1F20 K26 V27 V28 T188 L190F20-P157 HydrophobicContact CE1-CG 4.17Å; F20-P157 HydrophobicContact CZ-CG 3.99Å; K26-P157 WeakPolarHBondContact O-CD 3.41Å; V27-P157 HydrophobicContact CG2-CB 4.38Å; V27-P157 WeakPolarHBondContact CG2-O 3.4Å; V28-P157 PolarHBondContact N-O 3.42Å; P157-T188 CarbonylContact C-O 3.59Å; P157-T188 WeakPolarHBondContact CA-O 3.2Å; P157-T188 HydrophobicContact CB-CG2 4.39Å; P157-L190 HydrophobicContact CB-CD1 3.61Å; P157-L190 HydrophobicContact CB-CG 3.9Å; P157-L190 HydrophobicContact CG-CD1 4.33Å
158V96Very high91.2Very high0 Ų011.5 Ų11.50%06%0.059CC..EExtended strand (participates in β ladder)trans-117.5133.7170.359.90000110.8V28 C147 A151 Y165 M169 T188 F189 L190V28-V158 HydrophobicContact CB-CG2 4.43Å; V28-V158 CarbonylContact O-C 3.51Å; V28-V158 VanDerWaalsContact O-CA 3.25Å; V28-V158 WeakPolarHBondContact O-CA 3.3Å; C147-V158 HydrophobicContact CB-CG2 3.81Å; A151-V158 HydrophobicContact CB-CB 4Å; V158-Y165 HydrophobicContact CG1-CD1 4.34Å; V158-Y165 HydrophobicContact CG1-CE1 4.41Å; V158-Y165 HydrophobicContact CG2-CD1 4.4Å; V158-Y165 HydrophobicContact CG2-CE1 3.7Å; V158-M169 HydrophobicContact CG1-CE 3.68Å; V158-M169 HydrophobicContact CG1-SD 3.91Å; V158-T188 PolarHBondContact N-O 3.48Å; V158-F189 HydrophobicContact CG1-CB 4.24Å; V158-F189 HydrophobicContact CG1-CD2 4.09Å; V158-F189 WeakPolarHBondContact O-CD2 3.35Å; V158-L190 PolarHBondContact O-N 3.26Å
159I97.2Very high90.8Very high0 Ų011.2 Ų11.20%06%0.058CC..EExtended strand (participates in β ladder)trans-106.2132.2176.5-65.7172.7000109.5L22 V27 V28 V29 D30 L190 L192 F216L22-I159 HydrophobicContact CD2-CD1 4Å; V27-I159 HydrophobicContact CG2-CD1 3.57Å; V27-I159 HydrophobicContact CG2-CG1 3.69Å; V28-I159 PolarHBondContact O-N 2.91Å; V29-I159 HydrophobicContact CG1-CB 4.37Å; V29-I159 HydrophobicContact CG1-CG2 4.37Å; V29-I159 HydrophobicContact CG2-CB 4.34Å; V29-I159 HydrophobicContact CG2-CD1 4.33Å; D30-I159 PolarHBondContact N-O 3.19Å; I159-L190 WeakPolarHBondContact CA-O 3.11Å; I159-L190 HydrophobicContact CG1-CB 3.94Å; I159-L190 HydrophobicContact CG1-CD1 4.14Å; I159-L192 HydrophobicContact CG2-CD1 4.06Å; I159-L192 HydrophobicContact CG2-CD2 3.5Å; I159-L192 HydrophobicContact CG2-CG 3.54Å; I159-F216 HydrophobicContact CD1-CE1 4.17Å; I159-F216 HydrophobicContact CD1-CZ 3.83Å; I159-F216 HydrophobicContact CG1-CE1 4.29Å; I159-F216 HydrophobicContact CG1-CZ 4.43Å; I159-F216 HydrophobicContact CG2-CE1 4.42Å
160G95.8Very high90Very high0 Ų011.6 Ų11.60%06%0.06CC..EExtended strand (participates in β ladder)trans-173.2178.4177.500000114L190 P191 L192G160-L190 PolarHBondContact N-O 3.03Å; G160-P191 WeakPolarHBondContact O-CA 3.32Å; G160-L192 PolarHBondContact O-N 2.79Å
161L93.7Very high88.5Confident54 Ų5416.3 Ų16.328%0.2838%0.081SC..  trans-113.6-25.2175.3-76.7173.7000113D33 F37 S163 L192 H193D33-L161 HydrophobicContact CB-CB 3.91Å; D33-L161 HydrophobicContact CB-CD1 4.31Å; D33-L161 HydrophobicContact CB-CG 4.18Å; D33-L161 WeakPolarHBondContact OD2-CA 3.25Å; D33-L161 PolarHBondContact OD2-N 3.39Å; F37-L161 HydrophobicContact CB-CD1 4.06Å; F37-L161 HydrophobicContact CD2-CD2 4.4Å; L161-S163 PolarHBondContact O-N 3.25Å; L161-L192 HydrophobicContact CD2-CB 3.55Å; L161-L192 HydrophobicContact CG-CB 3.83Å; L161-L192 HydrophobicContact CG-CD1 3.92Å; L161-L192 HydrophobicContact CG-CG 4.48Å; L161-H193 HydrophobicContact CD2-CB 4.17Å
162S90.9Very high86.9Confident7 Ų718.5 Ų18.55%0.0499%0.089CC..  trans-57.3130.1-177.2-178.50000112.7M1 D33 D164 Y165M1-S162 PolarHBondContact O-OG 3.23Å; D33-S162 PolarHBondContact OD2-N 3.35Å; S162-D164 PolarHBondContact O-N 2.6Å; S162-D164 VanDerWaalsContact O-N 3.17Å; S162-D164 WeakPolarHBondContact OG-CB 3.11Å; S162-D164 PolarHBondContact OG-N 3.04Å; S162-D164 VanDerWaalsContact OG-N 3.16Å; S162-Y165 WeakPolarHBondContact O-CB 3.37Å; S162-Y165 WeakPolarHBondContact O-CD2 3.36Å; S162-Y165 PolarHBondContact O-N 3.16Å
163S91Very high85.1Confident1 Ų123.2 Ų23.21%0.00711%0.111CC..THydrogen-bonded Turntrans-67.2-12.1172.474.10000113T2 V3 L161 Y165 Y166T2-S163 WeakPolarHBondContact CB-OG 3.32Å; V3-S163 PolarHBondContact N-OG 3.25Å; V3-S163 PolarHBondContact O-OG 2.91Å; L161-S163 PolarHBondContact O-N 3.25Å; S163-Y165 PolarHBondContact O-N 3.48Å; S163-Y166 VanDerWaalsContact O-CD2 3.3Å; S163-Y166 WeakPolarHBondContact O-CD2 3.41Å; S163-Y166 PolarHBondContact O-N 2.82Å
164D90.1Very high83.2Confident7 Ų728.2 Ų28.24%0.03714%0.138CC..Hα-helixtrans-62-29.2175.3-64-7.2000110.6T2 V3 A144 S162 Y166 I167 L168 R316 F317T2-D164 WeakPolarHBondContact CA-OD1 3.35Å; V3-D164 PolarHBondContact N-OD1 3.08Å; A144-D164 HydrophobicContact CB-CB 4.37Å; S162-D164 PolarHBondContact O-N 2.6Å; S162-D164 VanDerWaalsContact O-N 3.17Å; S162-D164 WeakPolarHBondContact OG-CB 3.11Å; S162-D164 PolarHBondContact OG-N 3.04Å; S162-D164 VanDerWaalsContact OG-N 3.16Å; D164-Y166 VanDerWaalsContact C-N 3.26Å; D164-Y166 PolarHBondContact O-N 3.5Å; D164-I167 PolarHBondContact O-N 2.92Å; D164-I167 VanDerWaalsContact O-N 3.09Å; D164-L168 HydrophobicContact CB-CD1 4.46Å; D164-L168 WeakPolarHBondContact O-CG 3.25Å; D164-L168 PolarHBondContact O-N 3.49Å; D164-R316 IonicContact OD1-NH2 2.6Å; D164-R316 IonicContact OD2-CZ 2.96Å; D164-R316 IonicContact OD2-NE 3.55Å; D164-R316 PolarHBondContact OD2-NE 3.29Å; D164-R316 IonicContact OD2-NH2 2.7Å; D164-R316 PolarHBondContact OD2-NH2 2.91Å; D164-F317 HydrophobicContact CB-CE1 3.83Å
165Y92.4Very high81.5Confident0 Ų028.6 Ų28.60%014%0.139CC..Hα-helixtrans-56.9-37.6175.4-72.4-63.7000112.4D30 A144 C147 V158 S162 S163 I167 L168 M169 F189D30-Y165 WeakPolarHBondContact CB-OH 3Å; A144-Y165 WeakPolarHBondContact CA-OH 3.26Å; A144-Y165 HydrophobicContact CB-CD1 4.44Å; A144-Y165 HydrophobicContact CB-CE1 3.97Å; A144-Y165 HydrophobicContact CB-CE2 4.18Å; A144-Y165 WeakPolarHBondContact O-CE1 3.5Å; C147-Y165 HydrophobicContact CB-CE1 4.13Å; C147-Y165 WeakPolarHBondContact CB-OH 3.3Å; V158-Y165 HydrophobicContact CG1-CD1 4.34Å; V158-Y165 HydrophobicContact CG1-CE1 4.41Å; V158-Y165 HydrophobicContact CG2-CD1 4.4Å; V158-Y165 HydrophobicContact CG2-CE1 3.7Å; S162-Y165 WeakPolarHBondContact O-CB 3.37Å; S162-Y165 WeakPolarHBondContact O-CD2 3.36Å; S162-Y165 PolarHBondContact O-N 3.16Å; S163-Y165 PolarHBondContact O-N 3.48Å; Y165-I167 PolarHBondContact O-N 3.21Å; Y165-L168 HydrophobicContact CD1-CD1 4.4Å; Y165-L168 PolarHBondContact O-N 3.4Å; Y165-L168 VanDerWaalsContact O-N 3.08Å; Y165-M169 HydrophobicContact CD1-CE 4.03Å; Y165-M169 WeakPolarHBondContact O-CB 3.48Å; Y165-M169 WeakPolarHBondContact O-CG 3.34Å; Y165-M169 PolarHBondContact O-N 2.86Å; Y165-F189 HydrophobicContact CD1-CD2 4.39Å; Y165-F189 HydrophobicContact CD1-CE2 4.44Å; Y165-F189 HydrophobicContact CD2-CD2 4.21Å; Y165-F189 AromaticContact CD2-CE2 3.48Å; Y165-F189 HydrophobicContact CD2-CE2 3.48Å; Y165-F189 VanDerWaalsContact CD2-CE2 3.48Å; Y165-F189 AromaticContact CD2-CZ 3.75Å; Y165-F189 HydrophobicContact CD2-CZ 3.75Å; Y165-F189 HydrophobicContact CE2-CE2 4.26Å; Y165-F189 AromaticContact CG-CD2 3.88Å; Y165-F189 HydrophobicContact CG-CD2 3.88Å; Y165-F189 HydrophobicContact CG-CE1 4.49Å; Y165-F189 AromaticContact CG-CE2 3.6Å; Y165-F189 HydrophobicContact CG-CE2 3.6Å; Y165-F189 HydrophobicContact CG-CG 4.45Å; Y165-F189 AromaticContact CG-CZ 3.95Å; Y165-F189 HydrophobicContact CG-CZ 3.95Å
166Y90.4Very high79.9Confident1 Ų124.2 Ų24.20%0.00412%0.119CC..Hα-helixtrans-60.8-32.3178.7-59.5-60000113.2L6 D7 L10 W17 S163 D164 F189 H193 F219L6-Y166 HydrophobicContact CD2-CD2 4.39Å; L6-Y166 HydrophobicContact CG-CD2 4.42Å; D7-Y166 HydrophobicContact CB-CE2 4.16Å; L10-Y166 HydrophobicContact CD1-CD1 3.67Å; L10-Y166 HydrophobicContact CD1-CD2 3.66Å; L10-Y166 HydrophobicContact CD1-CE1 4.19Å; L10-Y166 HydrophobicContact CD1-CE2 4.17Å; L10-Y166 HydrophobicContact CD1-CG 3.39Å; W17-Y166 AromaticContact CH2-CE1 3.47Å; W17-Y166 HydrophobicContact CH2-CE1 3.47Å; W17-Y166 VanDerWaalsContact CH2-CE1 3.47Å; W17-Y166 AromaticContact CH2-CZ 3.82Å; W17-Y166 AromaticContact CZ3-CE1 3.91Å; W17-Y166 HydrophobicContact CZ3-CE1 3.91Å; S163-Y166 VanDerWaalsContact O-CD2 3.3Å; S163-Y166 WeakPolarHBondContact O-CD2 3.41Å; S163-Y166 PolarHBondContact O-N 2.82Å; D164-Y166 VanDerWaalsContact C-N 3.26Å; D164-Y166 PolarHBondContact O-N 3.5Å; Y166-F189 HydrophobicContact CD1-CD1 4.01Å; Y166-F189 AromaticContact CD1-CE1 3.99Å; Y166-F189 HydrophobicContact CD1-CE1 3.99Å; Y166-F189 AromaticContact CE1-CD1 3.77Å; Y166-F189 HydrophobicContact CE1-CD1 3.77Å; Y166-F189 AromaticContact CE1-CE1 3.49Å; Y166-F189 HydrophobicContact CE1-CE1 3.49Å; Y166-F189 VanDerWaalsContact CE1-CE1 3.49Å; Y166-F189 HydrophobicContact CE2-CE1 4.39Å; Y166-F189 AromaticContact CZ-CE1 3.73Å; Y166-H193 PolarHBondContact OH-CE1 2.79Å; Y166-H193 VanDerWaalsContact OH-CE1 3.28Å; Y166-F219 HydrophobicContact CD1-CB 4.46Å; Y166-F219 AromaticContact CD1-CD1 3.79Å; Y166-F219 HydrophobicContact CD1-CD1 3.79Å; Y166-F219 AromaticContact CD1-CD2 3.84Å; Y166-F219 HydrophobicContact CD1-CD2 3.84Å; Y166-F219 AromaticContact CD1-CE1 3.86Å; Y166-F219 HydrophobicContact CD1-CE1 3.86Å; Y166-F219 AromaticContact CD1-CE2 3.93Å; Y166-F219 HydrophobicContact CD1-CE2 3.93Å; Y166-F219 AromaticContact CD1-CG 3.76Å; Y166-F219 HydrophobicContact CD1-CG 3.76Å; Y166-F219 AromaticContact CD1-CZ 3.93Å; Y166-F219 HydrophobicContact CD1-CZ 3.93Å; Y166-F219 HydrophobicContact CE1-CB 4.33Å; Y166-F219 HydrophobicContact CE1-CD1 4.46Å; Y166-F219 AromaticContact CE1-CD2 3.98Å; Y166-F219 HydrophobicContact CE1-CD2 3.98Å; Y166-F219 HydrophobicContact CE1-CE2 4.39Å; Y166-F219 HydrophobicContact CE1-CG 4.01Å
167I89Confident77.8Confident0 Ų028.1 Ų28.10%014%0.14CC..Hα-helixtrans-81.6-36.1176.1-55.2-62.5000110.8V3 L6 D164 Y165 S170 L226 L234 A238 F317V3-I167 HydrophobicContact CG2-CG1 4.25Å; L6-I167 HydrophobicContact CD2-CD1 3.88Å; L6-I167 HydrophobicContact CD2-CG1 4.02Å; D164-I167 PolarHBondContact O-N 2.92Å; D164-I167 VanDerWaalsContact O-N 3.09Å; Y165-I167 PolarHBondContact O-N 3.21Å; I167-S170 PolarHBondContact O-OG 3.07Å; I167-L226 HydrophobicContact CD1-CD1 4.1Å; I167-L226 HydrophobicContact CD1-CD2 4.44Å; I167-L234 HydrophobicContact CD1-CD2 4.46Å; I167-L234 HydrophobicContact CG2-CB 4.25Å; I167-A238 HydrophobicContact CD1-CB 4.27Å; I167-A238 HydrophobicContact CG1-CB 4.03Å; I167-A238 HydrophobicContact CG2-CB 4.35Å; I167-F317 HydrophobicContact CB-CD1 3.81Å; I167-F317 HydrophobicContact CB-CE1 3.65Å; I167-F317 HydrophobicContact CG1-CE1 4.04Å; I167-F317 HydrophobicContact CG2-CD1 3.55Å; I167-F317 HydrophobicContact CG2-CE1 3.75Å; I167-F317 HydrophobicContact CG2-CG 4.08Å; I167-F317 HydrophobicContact CG2-CZ 4.41Å
168L87.9Confident75.9Confident6 Ų634.1 Ų34.13%0.03117%0.172CC..Hα-helixtrans-72.7-27.5180-70.8169.6000113.6A144 T145 T148 D164 Y165 S170 F317A144-L168 HydrophobicContact CB-CD1 3.89Å; T145-L168 HydrophobicContact CG2-CD2 4.05Å; T148-L168 HydrophobicContact CG2-CB 4.09Å; D164-L168 HydrophobicContact CB-CD1 4.46Å; D164-L168 WeakPolarHBondContact O-CG 3.25Å; D164-L168 PolarHBondContact O-N 3.49Å; Y165-L168 HydrophobicContact CD1-CD1 4.4Å; Y165-L168 PolarHBondContact O-N 3.4Å; Y165-L168 VanDerWaalsContact O-N 3.08Å; L168-S170 VanDerWaalsContact C-N 3.34Å; L168-F317 HydrophobicContact CD2-CB 4.11Å; L168-F317 HydrophobicContact CD2-CD1 4.14Å; L168-F317 HydrophobicContact CG-CD1 4.09Å
169M83Confident74Confident1 Ų134.8 Ų34.81%0.00518%0.175CC..THydrogen-bonded Turntrans-81.6-7.5179.6-64.5-55.8106.100114.1T148 V158 Y165 P187 F189 F219 P221T148-M169 HydrophobicContact CG2-CE 3.4Å; T148-M169 VanDerWaalsContact CG2-CE 3.4Å; T148-M169 VanDerWaalsContact OG1-CE 3.24Å; T148-M169 WeakPolarHBondContact OG1-CE 3.17Å; V158-M169 HydrophobicContact CG1-CE 3.68Å; V158-M169 HydrophobicContact CG1-SD 3.91Å; Y165-M169 HydrophobicContact CD1-CE 4.03Å; Y165-M169 WeakPolarHBondContact O-CB 3.48Å; Y165-M169 WeakPolarHBondContact O-CG 3.34Å; Y165-M169 PolarHBondContact O-N 2.86Å; M169-P187 HydrophobicContact CE-CB 4.31Å; M169-P187 HydrophobicContact CE-CG 3.88Å; M169-P187 HydrophobicContact SD-CB 3.73Å; M169-P187 HydrophobicContact SD-CG 3.49Å; M169-P187 WeakPolarHBondContact SD-CG 3.49Å; M169-P187 VanDerWaalsContact SD-O 3.37Å; M169-F189 HydrophobicContact CG-CB 3.39Å; M169-F189 HydrophobicContact CG-CG 4.3Å; M169-F189 HydrophobicContact SD-CB 3.66Å; M169-F219 HydrophobicContact CB-CD1 4.42Å; M169-P221 HydrophobicContact CB-CG 4.03Å; M169-P221 WeakPolarHBondContact O-CG 3.5Å
170S69.8Low72.3Confident12 Ų1235.5 Ų35.58%0.08418%0.179CC..SBendtrans-67.3162.3172.882.10000110.4I167 L168 R172 D231 L234I167-S170 PolarHBondContact O-OG 3.07Å; L168-S170 VanDerWaalsContact C-N 3.34Å; S170-R172 PolarHBondContact O-N 2.88Å; S170-D231 WeakPolarHBondContact CB-OD1 3.41Å; S170-D231 PolarHBondContact OG-OD1 3.36Å; S170-D231 VanDerWaalsContact OG-OD1 3.07Å; S170-L234 WeakPolarHBondContact OG-CD1 3.17Å
171K60Low70.5Confident98 Ų9839.5 Ų39.543%0.42621%0.206SC..  trans-69.282.8-167.8-67.1176.8177.5178.70112.3Q173 D231K171-Q173 VanDerWaalsContact C-N 3.29Å; K171-Q173 PolarHBondContact O-N 3.47Å; K171-D231 VanDerWaalsContact C-CG 3.48Å; K171-D231 WeakPolarHBondContact CA-OD1 3.39Å; K171-D231 WeakPolarHBondContact CB-OD2 3.36Å; K171-D231 PolarHBondContact N-OD1 3.04Å; K171-D231 WeakPolarHBondContact O-CB 3.13Å
172R58.1Low69Low46 Ų4641.7 Ų41.717%0.17422%0.215CC..  trans-83.872172.6-69.5170.8164.6-121.5-11.7111.7S170 N174 Y184 F317S170-R172 PolarHBondContact O-N 2.88Å; R172-N174 PolarHBondContact O-N 2.74Å; R172-Y184 PolarHBondContact O-OH 2.88Å; R172-F317 VanDerWaalsContact NH1-C 3.32Å; R172-F317 PolarHBondContact NH1-O 2.94Å; R172-F317 PolarHBondContact NH2-O 2.9Å
173Q49.8Very low67.6Low114 Ų11447.2 Ų47.253%0.53325%0.251SS..Hα-helixtrans-64.3-38.5178.8-76.9177.9-2000112.1K171 I175 N177 Y184K171-Q173 VanDerWaalsContact C-N 3.29Å; K171-Q173 PolarHBondContact O-N 3.47Å; Q173-I175 PolarHBondContact O-N 3.24Å; Q173-N177 VanDerWaalsContact O-CB 3.24Å; Q173-N177 WeakPolarHBondContact O-CB 3.24Å; Q173-N177 PolarHBondContact O-N 3.15Å; Q173-N177 PolarHBondContact O-ND2 2.67Å; Q173-N177 PolarHBondContact O-OD1 3.06Å; Q173-Y184 VanDerWaalsContact C-OH 3.28Å; Q173-Y184 WeakPolarHBondContact CA-OH 3.49Å; Q173-Y184 PolarHBondContact O-OH 3.1Å
174N46.6Very low66.4Low114 Ų11449.3 Ų49.361%0.6126%0.259SS*.Hα-helixtrans-77.9-24.8-161.3-66.2-14.7000116.3R172R172-N174 PolarHBondContact O-N 2.74Å
175I53.7Low65.3Low24 Ų2455.4 Ų55.412%0.12329%0.291CS..Hα-helixtrans-86.2-46-171.8-55176.7000111.6Q173 L179 C319Q173-I175 PolarHBondContact O-N 3.24Å; I175-L179 WeakPolarHBondContact O-CD1 3.18Å; I175-C319 HydrophobicContact CG2-CB 4.25Å
176L54.6Low64.3Low13 Ų1358.3 Ų58.37%0.06831%0.312CS..Hα-helixtrans-82.3-22.9-178-91.979000113.4I152 N178 L179 I180 Y184 C319I152-L176 HydrophobicContact CB-CD2 3.79Å; I152-L176 HydrophobicContact CD1-CD2 4.05Å; I152-L176 HydrophobicContact CG2-CD2 3.42Å; I152-L176 VanDerWaalsContact CG2-CD2 3.42Å; L176-N178 PolarHBondContact O-N 2.92Å; L176-N178 VanDerWaalsContact O-N 3.16Å; L176-L179 PolarHBondContact O-N 2.73Å; L176-I180 HydrophobicContact CB-CD1 4.23Å; L176-I180 HydrophobicContact CD2-CD1 3.52Å; L176-I180 HydrophobicContact CG-CD1 4.06Å; L176-I180 PolarHBondContact O-N 3.04Å; L176-Y184 HydrophobicContact CB-CE1 3.85Å; L176-C319 HydrophobicContact CD1-CB 4.23Å
177N49.1Very low63.6Low86 Ų8659 Ų5946%0.4632%0.316SS..THydrogen-bonded Turntrans-55.5-33.3179.7-81.34.8000113.2Q173 L179 Y184Q173-N177 VanDerWaalsContact O-CB 3.24Å; Q173-N177 WeakPolarHBondContact O-CB 3.24Å; Q173-N177 PolarHBondContact O-N 3.15Å; Q173-N177 PolarHBondContact O-ND2 2.67Å; Q173-N177 PolarHBondContact O-OD1 3.06Å; N177-L179 VanDerWaalsContact C-N 3.3Å; N177-L179 PolarHBondContact O-N 3.18Å; N177-Y184 WeakPolarHBondContact OD1-CE1 3.47Å; N177-Y184 VanDerWaalsContact OD1-CZ 3.28Å; N177-Y184 PolarHBondContact OD1-OH 3.49Å
178N54.6Low63.6Low133 Ų13361 Ų6171%0.71133%0.328SS*.THydrogen-bonded Turntrans-81.5-9-178.6-68.6-15.6000113.5L176L176-N178 PolarHBondContact O-N 2.92Å; L176-N178 VanDerWaalsContact O-N 3.16Å
179L55.5Low64Low13 Ų1360.8 Ų60.87%0.06833%0.327CS..THydrogen-bonded Turntrans-116-30.4-163.5-68.3169000114.1I175 L176 N177 L321 N338 S341I175-L179 WeakPolarHBondContact O-CD1 3.18Å; L176-L179 PolarHBondContact O-N 2.73Å; N177-L179 VanDerWaalsContact C-N 3.3Å; N177-L179 PolarHBondContact O-N 3.18Å; L179-L321 HydrophobicContact CD1-CD1 3.56Å; L179-L321 HydrophobicContact CD1-CD2 3.78Å; L179-L321 HydrophobicContact CD1-CG 4.22Å; L179-L321 HydrophobicContact CD2-CD1 4.25Å; L179-L321 HydrophobicContact CD2-CD2 3.5Å; L179-L321 VanDerWaalsContact CD2-CD2 3.5Å; L179-L321 HydrophobicContact CG-CD1 4.4Å; L179-L321 HydrophobicContact CG-CD2 4.29Å; L179-N338 PolarHBondContact O-N 3Å; L179-N338 VanDerWaalsContact O-N 3.14Å; L179-S341 VanDerWaalsContact CD2-CB 3.48Å
180I61.5Low64.6Low16 Ų1660.7 Ų60.78%0.08233%0.327CS..BIsolated β-bridgetrans-110.5137.4-176.7-51.6171.3000107.7I153 L176 Q182I153-I180 HydrophobicContact CG1-CD1 3.57Å; I153-I180 HydrophobicContact CG1-CG1 4.47Å; L176-I180 HydrophobicContact CB-CD1 4.23Å; L176-I180 HydrophobicContact CD2-CD1 3.52Å; L176-I180 HydrophobicContact CG-CD1 4.06Å; L176-I180 PolarHBondContact O-N 3.04Å; I180-Q182 HydrophobicContact CG2-CB 4.34Å; I180-Q182 PolarHBondContact O-N 3.37Å
181S59.1Low65.8Low83 Ų8360.1 Ų60.158%0.5832%0.323SS*.SBendtrans-70.5-11.7179.651.20000114.2
182Q61.1Low67.4Low100 Ų10055.5 Ų55.547%0.46730%0.303SS..SBendtrans-113144.2-170-62-176.2100112.8I180 Y184I180-Q182 HydrophobicContact CG2-CB 4.34Å; I180-Q182 PolarHBondContact O-N 3.37Å; Q182-Y184 PolarHBondContact O-N 3.29Å
183P62Low68.9Low124 Ų12456.5 Ų56.581%0.80531%0.309SS*.  trans-62.6132.2166.527.5-32.4000109.4
184Y66.2Low70.9Confident44 Ų4453.1 Ų53.117%0.17330%0.295CS..  trans-115.1153.3179.560.8-89.1000112.3I152 R172 Q173 L176 N177 Q182I152-Y184 HydrophobicContact CG2-CD1 4.43Å; I152-Y184 HydrophobicContact CG2-CD2 3.49Å; I152-Y184 VanDerWaalsContact CG2-CD2 3.49Å; I152-Y184 HydrophobicContact CG2-CE2 4.16Å; I152-Y184 HydrophobicContact CG2-CG 3.66Å; R172-Y184 PolarHBondContact O-OH 2.88Å; Q173-Y184 VanDerWaalsContact C-OH 3.28Å; Q173-Y184 WeakPolarHBondContact CA-OH 3.49Å; Q173-Y184 PolarHBondContact O-OH 3.1Å; L176-Y184 HydrophobicContact CB-CE1 3.85Å; N177-Y184 WeakPolarHBondContact OD1-CE1 3.47Å; N177-Y184 VanDerWaalsContact OD1-CZ 3.28Å; N177-Y184 PolarHBondContact OD1-OH 3.49Å; Q182-Y184 PolarHBondContact O-N 3.29Å
185L68Low73.1Confident135 Ų13548.3 Ų48.371%0.70727%0.27SS*.PPolyproline II helixtrans-90.7156.4171.2-67.4169.8000110.2
186S69.7Low74.8Confident62 Ų6250.6 Ų50.643%0.43428%0.283SS..PPolyproline II helixtrans-59.2132.1169-60.80000109.4
187P75.6Confident76.2Confident15 Ų1550 Ų5010%0.09728%0.28CS..PPolyproline II helixtrans-63.7147.3-179.524.1-28000110T148 A151 I152 M169T148-P187 HydrophobicContact CG2-CG 4.06Å; A151-P187 HydrophobicContact CB-CB 4.36Å; I152-P187 HydrophobicContact CD1-CG 3.98Å; I152-P187 HydrophobicContact CG1-CB 3.93Å; I152-P187 HydrophobicContact CG1-CG 3.51Å; M169-P187 HydrophobicContact CE-CB 4.31Å; M169-P187 HydrophobicContact CE-CG 3.88Å; M169-P187 HydrophobicContact SD-CB 3.73Å; M169-P187 HydrophobicContact SD-CG 3.49Å; M169-P187 WeakPolarHBondContact SD-CG 3.49Å; M169-P187 VanDerWaalsContact SD-O 3.37Å
188T90.8Very high77.5Confident42 Ų4249.2 Ų49.226%0.25828%0.275SS..PPolyproline II helixtrans-92.2116.5177.9-63.70000109.1P157 V158 L190 K218P157-T188 CarbonylContact C-O 3.59Å; P157-T188 WeakPolarHBondContact CA-O 3.2Å; P157-T188 HydrophobicContact CB-CG2 4.39Å; V158-T188 PolarHBondContact N-O 3.48Å; T188-L190 HydrophobicContact CG2-CD2 3.82Å; T188-L190 HydrophobicContact CG2-CG 4.44Å; T188-K218 HydrophobicContact CG2-CB 3.61Å; T188-K218 HydrophobicContact CG2-CD 3.94Å; T188-K218 HydrophobicContact CG2-CG 4.36Å
189F94.5Very high78.5Confident1 Ų144.1 Ų44.10%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-90.5127.9173.5174.6-132.4000111.9V158 Y165 Y166 M169 P191 K218 F219V158-F189 HydrophobicContact CG1-CB 4.24Å; V158-F189 HydrophobicContact CG1-CD2 4.09Å; V158-F189 WeakPolarHBondContact O-CD2 3.35Å; Y165-F189 HydrophobicContact CD1-CD2 4.39Å; Y165-F189 HydrophobicContact CD1-CE2 4.44Å; Y165-F189 HydrophobicContact CD2-CD2 4.21Å; Y165-F189 AromaticContact CD2-CE2 3.48Å; Y165-F189 HydrophobicContact CD2-CE2 3.48Å; Y165-F189 VanDerWaalsContact CD2-CE2 3.48Å; Y165-F189 AromaticContact CD2-CZ 3.75Å; Y165-F189 HydrophobicContact CD2-CZ 3.75Å; Y165-F189 HydrophobicContact CE2-CE2 4.26Å; Y165-F189 AromaticContact CG-CD2 3.88Å; Y165-F189 HydrophobicContact CG-CD2 3.88Å; Y165-F189 HydrophobicContact CG-CE1 4.49Å; Y165-F189 AromaticContact CG-CE2 3.6Å; Y165-F189 HydrophobicContact CG-CE2 3.6Å; Y165-F189 HydrophobicContact CG-CG 4.45Å; Y165-F189 AromaticContact CG-CZ 3.95Å; Y165-F189 HydrophobicContact CG-CZ 3.95Å; Y166-F189 HydrophobicContact CD1-CD1 4.01Å; Y166-F189 AromaticContact CD1-CE1 3.99Å; Y166-F189 HydrophobicContact CD1-CE1 3.99Å; Y166-F189 AromaticContact CE1-CD1 3.77Å; Y166-F189 HydrophobicContact CE1-CD1 3.77Å; Y166-F189 AromaticContact CE1-CE1 3.49Å; Y166-F189 HydrophobicContact CE1-CE1 3.49Å; Y166-F189 VanDerWaalsContact CE1-CE1 3.49Å; Y166-F189 HydrophobicContact CE2-CE1 4.39Å; Y166-F189 AromaticContact CZ-CE1 3.73Å; M169-F189 HydrophobicContact CG-CB 3.39Å; M169-F189 HydrophobicContact CG-CG 4.3Å; M169-F189 HydrophobicContact SD-CB 3.66Å; F189-P191 HydrophobicContact CE1-CB 3.87Å; F189-P191 HydrophobicContact CE1-CG 4.39Å; F189-P191 HydrophobicContact CZ-CB 3.85Å; F189-P191 WeakPolarHBondContact O-CD 3.3Å; F189-K218 WeakPolarHBondContact O-CA 3.5Å; F189-F219 HydrophobicContact CB-CB 4.42Å; F189-F219 HydrophobicContact CD1-CB 4.15Å; F189-F219 PolarHBondContact O-N 3.26Å
190L95.8Very high78.8Confident0 Ų047.7 Ų47.70%027%0.274CS..EExtended strand (participates in β ladder)trans-112.290.5178-56.3-175.8000109.2F20 L22 P157 V158 I159 G160 T188 L192 F216 K218F20-L190 HydrophobicContact CB-CD2 4.2Å; F20-L190 HydrophobicContact CD1-CD1 3.91Å; F20-L190 HydrophobicContact CD1-CD2 3.71Å; F20-L190 HydrophobicContact CD1-CG 4.48Å; F20-L190 HydrophobicContact CE1-CD1 3.96Å; F20-L190 HydrophobicContact CE1-CD2 4.33Å; F20-L190 HydrophobicContact CG-CD2 4.02Å; L22-L190 HydrophobicContact CD1-CD1 3.98Å; P157-L190 HydrophobicContact CB-CD1 3.61Å; P157-L190 HydrophobicContact CB-CG 3.9Å; P157-L190 HydrophobicContact CG-CD1 4.33Å; V158-L190 PolarHBondContact O-N 3.26Å; I159-L190 WeakPolarHBondContact CA-O 3.11Å; I159-L190 HydrophobicContact CG1-CB 3.94Å; I159-L190 HydrophobicContact CG1-CD1 4.14Å; G160-L190 PolarHBondContact N-O 3.03Å; T188-L190 HydrophobicContact CG2-CD2 3.82Å; T188-L190 HydrophobicContact CG2-CG 4.44Å; L190-L192 PolarHBondContact O-N 3.24Å; L190-F216 HydrophobicContact CB-CB 4.21Å; L190-F216 HydrophobicContact CB-CD1 3.78Å; L190-F216 HydrophobicContact CB-CE1 4.39Å; L190-F216 HydrophobicContact CB-CG 4.09Å; L190-F216 HydrophobicContact CD1-CB 4.41Å; L190-F216 HydrophobicContact CD1-CD2 4.33Å; L190-F216 HydrophobicContact CD1-CG 4.19Å; L190-F216 HydrophobicContact CD2-CB 3.99Å; L190-F216 HydrophobicContact CG-CB 4.43Å; L190-K218 HydrophobicContact CD2-CB 3.63Å
191P94.8Very high78.4Confident0 Ų051.8 Ų51.80%030%0.296CS..EExtended strand (participates in β ladder)trans-64.5130178.525.6-35.5000112.2W17 G160 F189 H193 L194 H217W17-P191 HydrophobicContact CE3-CG 4.48Å; W17-P191 HydrophobicContact CZ3-CG 3.85Å; G160-P191 WeakPolarHBondContact O-CA 3.32Å; F189-P191 HydrophobicContact CE1-CB 3.87Å; F189-P191 HydrophobicContact CE1-CG 4.39Å; F189-P191 HydrophobicContact CZ-CB 3.85Å; F189-P191 WeakPolarHBondContact O-CD 3.3Å; P191-H193 VanDerWaalsContact C-N 3.33Å; P191-H193 PolarHBondContact O-N 3.36Å; P191-L194 HydrophobicContact CG-CB 4.2Å; P191-L194 HydrophobicContact CG-CD1 3.89Å; P191-L194 HydrophobicContact CG-CG 4.15Å; P191-L194 PolarHBondContact O-N 3.03Å; P191-H217 VanDerWaalsContact CD-O 3.31Å; P191-H217 WeakPolarHBondContact CD-O 3.31Å
192L94.5Very high77.8Confident0 Ų050 Ų500%028%0.279CS..G310 helixtrans-62-34.6-178.9-81.7165.4000113.7D33 L34 F37 I159 G160 L161 L190 L194 A195D33-L192 HydrophobicContact CB-CD1 4.25Å; L34-L192 HydrophobicContact CB-CD1 4.21Å; L34-L192 HydrophobicContact CD1-CD1 4.34Å; L34-L192 HydrophobicContact CD1-CD2 3.8Å; F37-L192 HydrophobicContact CB-CB 4.48Å; F37-L192 HydrophobicContact CB-CD1 4.13Å; F37-L192 HydrophobicContact CD1-CB 4.46Å; F37-L192 HydrophobicContact CD1-CD2 4.06Å; F37-L192 HydrophobicContact CD2-CB 4.05Å; F37-L192 HydrophobicContact CE1-CD2 4.45Å; F37-L192 HydrophobicContact CE2-CB 4.4Å; F37-L192 VanDerWaalsContact CE2-O 3.31Å; F37-L192 WeakPolarHBondContact CE2-O 3.48Å; F37-L192 HydrophobicContact CG-CB 4.07Å; F37-L192 HydrophobicContact CG-CD1 4.49Å; F37-L192 HydrophobicContact CG-CD2 4.37Å; F37-L192 VanDerWaalsContact CZ-O 3.27Å; F37-L192 WeakPolarHBondContact CZ-O 3.4Å; I159-L192 HydrophobicContact CG2-CD1 4.06Å; I159-L192 HydrophobicContact CG2-CD2 3.5Å; I159-L192 HydrophobicContact CG2-CG 3.54Å; G160-L192 PolarHBondContact O-N 2.79Å; L161-L192 HydrophobicContact CD2-CB 3.55Å; L161-L192 HydrophobicContact CG-CB 3.83Å; L161-L192 HydrophobicContact CG-CD1 3.92Å; L161-L192 HydrophobicContact CG-CG 4.48Å; L190-L192 PolarHBondContact O-N 3.24Å; L192-L194 PolarHBondContact O-N 3.16Å; L192-A195 WeakPolarHBondContact O-CB 3.39Å; L192-A195 PolarHBondContact O-N 3.17Å
193H90.4Very high77Confident68 Ų6849.1 Ų49.132%0.31528%0.278SS..G310 helixtrans-69.8-14.9-179.461.5-95000113.8L11 L161 Y166 P191L11-H193 WeakPolarHBondContact CD2-NE2 3.41Å; L161-H193 HydrophobicContact CD2-CB 4.17Å; Y166-H193 PolarHBondContact OH-CE1 2.79Å; Y166-H193 VanDerWaalsContact OH-CE1 3.28Å; P191-H193 VanDerWaalsContact C-N 3.33Å; P191-H193 PolarHBondContact O-N 3.36Å
194L91.8Very high76Confident43 Ų4348.8 Ų48.823%0.22527%0.269CS..G310 helixtrans-102.49.1172-58.8-178.2000112.9L11 W17 P191 L192 H217L11-L194 HydrophobicContact CD2-CD1 3.81Å; L11-L194 HydrophobicContact CD2-CD2 3.71Å; L11-L194 HydrophobicContact CD2-CG 4.03Å; W17-L194 HydrophobicContact CD2-CD1 3.78Å; W17-L194 HydrophobicContact CE3-CD1 3.55Å; W17-L194 HydrophobicContact CG-CD1 4.42Å; W17-L194 HydrophobicContact CH2-CD1 4.22Å; W17-L194 HydrophobicContact CZ2-CD1 4.43Å; W17-L194 HydrophobicContact CZ3-CD1 3.8Å; P191-L194 HydrophobicContact CG-CB 4.2Å; P191-L194 HydrophobicContact CG-CD1 3.89Å; P191-L194 HydrophobicContact CG-CG 4.15Å; P191-L194 PolarHBondContact O-N 3.03Å; L192-L194 PolarHBondContact O-N 3.16Å; L194-H217 HydrophobicContact CB-CB 3.92Å; L194-H217 HydrophobicContact CD1-CB 3.9Å; L194-H217 PolarHBondContact O-ND1 2.74Å
195A92.1Very high74.9Confident12 Ų1252.5 Ų52.510%0.09930%0.302CS..  trans-84129.9-179.500000111.5L192 L197 F216L192-A195 WeakPolarHBondContact O-CB 3.39Å; L192-A195 PolarHBondContact O-N 3.17Å; A195-L197 HydrophobicContact CB-CD2 3.81Å; A195-L197 HydrophobicContact CB-CG 4.24Å; A195-F216 HydrophobicContact CB-CD1 3.49Å; A195-F216 VanDerWaalsContact CB-CD1 3.49Å; A195-F216 HydrophobicContact CB-CE1 3.36Å; A195-F216 HydrophobicContact CB-CG 4.31Å; A195-F216 HydrophobicContact CB-CZ 4.09Å
196N89Confident73.6Confident72 Ų7249.6 Ų49.639%0.38529%0.293SS..BIsolated β-bridgetrans-98.996.3160.1-174.38.6000109.7N198 L215N196-N198 VanDerWaalsContact C-N 3.31Å; N196-N198 PolarHBondContact ND2-OD1 3.43Å; N196-N198 VanDerWaalsContact ND2-OD1 3.14Å; N196-N198 PolarHBondContact O-N 3.36Å; N196-N198 PolarHBondContact OD1-N 3.44Å; N196-N198 PolarHBondContact OD1-OD1 2.99Å; N196-N198 VanDerWaalsContact OD1-OD1 3.06Å; N196-L215 HydrophobicContact CB-CB 4.39Å; N196-L215 PolarHBondContact N-O 3Å; N196-L215 PolarHBondContact O-N 2.91Å
197L83.9Confident72.4Confident0 Ų054.9 Ų54.90%031%0.308CS..  trans-77.6-9.5-176.1-59.1-174.7000114.7F37 L38 F61 N64 A195 L199 M214 F216F37-L197 HydrophobicContact CD1-CD1 4.19Å; F37-L197 HydrophobicContact CE1-CD1 3.58Å; F37-L197 HydrophobicContact CE1-CG 4.27Å; L38-L197 HydrophobicContact CD2-CD1 3.8Å; F61-L197 HydrophobicContact CD2-CD1 3.91Å; F61-L197 HydrophobicContact CD2-CD2 4.07Å; F61-L197 HydrophobicContact CE2-CD1 4.27Å; F61-L197 HydrophobicContact CE2-CD2 3.89Å; N64-L197 PolarHBondContact ND2-O 3.46Å; A195-L197 HydrophobicContact CB-CD2 3.81Å; A195-L197 HydrophobicContact CB-CG 4.24Å; L197-L199 HydrophobicContact CB-CD1 3.91Å; L197-L199 HydrophobicContact CB-CD2 4.13Å; L197-L199 HydrophobicContact CB-CG 3.69Å; L197-L199 HydrophobicContact CD1-CD1 3.9Å; L197-L199 PolarHBondContact O-N 3.06Å; L197-M214 HydrophobicContact CD2-CE 3.86Å; L197-F216 HydrophobicContact CD2-CE1 4.39Å; L197-F216 HydrophobicContact CD2-CZ 3.89Å
198N76.1Confident70.7Confident70 Ų7060.6 Ų60.637%0.37434%0.338SS..  trans40.957.6-177.9-72.5-28.7000113.6N64 N196 S200N64-N198 PolarHBondContact ND2-O 2.92Å; N196-N198 VanDerWaalsContact C-N 3.31Å; N196-N198 PolarHBondContact ND2-OD1 3.43Å; N196-N198 VanDerWaalsContact ND2-OD1 3.14Å; N196-N198 PolarHBondContact O-N 3.36Å; N196-N198 PolarHBondContact OD1-N 3.44Å; N196-N198 PolarHBondContact OD1-OD1 2.99Å; N196-N198 VanDerWaalsContact OD1-OD1 3.06Å; N198-S200 PolarHBondContact O-N 3.04Å
199L76.7Confident68.3Low27 Ų2766.6 Ų66.614%0.14137%0.368CS..  trans-84.919.3-176.3-60.9173.3000113.3L38 F42 F61 L197 L201L38-L199 HydrophobicContact CD2-CD1 4.05Å; F42-L199 HydrophobicContact CE2-CD1 3.32Å; F42-L199 HydrophobicContact CZ-CB 3.92Å; F42-L199 HydrophobicContact CZ-CD1 3.32Å; F42-L199 HydrophobicContact CZ-CG 4.21Å; F61-L199 HydrophobicContact CB-CD2 3.88Å; L197-L199 HydrophobicContact CB-CD1 3.91Å; L197-L199 HydrophobicContact CB-CD2 4.13Å; L197-L199 HydrophobicContact CB-CG 3.69Å; L197-L199 HydrophobicContact CD1-CD1 3.9Å; L197-L199 PolarHBondContact O-N 3.06Å; L199-L201 PolarHBondContact O-N 3.15Å
200S62.1Low66.2Low87 Ų8769 Ų6961%0.60839%0.393SS*.  trans-64126.217654.30000110.4N198 L202N198-S200 PolarHBondContact O-N 3.04Å; S200-L202 PolarHBondContact O-N 2.81Å
201L52Low64Low102 Ų10276 Ų7653%0.53443%0.426SS..  trans-3.3100.3173.9-59.7172.8000114.9L199 N203 S554L199-L201 PolarHBondContact O-N 3.15Å; L201-N203 PolarHBondContact O-N 3.46Å; L201-S554 VanDerWaalsContact CD2-OG 3.25Å; L201-S554 WeakPolarHBondContact CD2-OG 3.31Å
202L47.1Very low62.6Low45 Ų4579 Ų7924%0.23644%0.439CS..THydrogen-bonded Turntrans-69.111.3168.9-82.1152.7000113.6L63 S200 D204 K212L63-L202 HydrophobicContact CB-CD1 3.59Å; L63-L202 HydrophobicContact CD1-CD1 3.72Å; L63-L202 HydrophobicContact CG-CD1 4.29Å; S200-L202 PolarHBondContact O-N 2.81Å; L202-D204 VanDerWaalsContact C-N 3.33Å; L202-K212 HydrophobicContact CD2-CD 4.19Å
203N43.8Very low61.4Low83 Ų8379.8 Ų79.844%0.44445%0.445SS..THydrogen-bonded Turntrans-77.5-16.2176.8-84.415000113.7L201 S205 S552 S554L201-N203 PolarHBondContact O-N 3.46Å; N203-S205 PolarHBondContact O-N 2.78Å; N203-S552 PolarHBondContact ND2-OG 3.38Å; N203-S554 VanDerWaalsContact ND2-CB 3.3Å; N203-S554 WeakPolarHBondContact ND2-CB 3.19Å
204D41.7Very low61.3Low116 Ų11676.5 Ų76.562%0.6243%0.43SS*.  trans-81.174.6165.9-78.7-19.4000109.4L202 S206L202-D204 VanDerWaalsContact C-N 3.33Å; D204-S206 PolarHBondContact O-N 2.83Å
205S42.9Very low61.3Low122 Ų12276.2 Ų76.285%0.85343%0.429SS*.  trans-62.1-17158.956.60000111.2N203N203-S205 PolarHBondContact O-N 2.78Å
206S41.4Very low61.5Low74 Ų7475.7 Ų75.752%0.51742%0.424SS..SBendtrans-101.4110.7174.672.30000111.4D204D204-S206 PolarHBondContact O-N 2.83Å
207K42.9Very low61.7Low174 Ų17475.4 Ų75.476%0.75742%0.42SS*.SBendtrans112.9-9.2151.6-63.1-176.3175.7177.30121
208N41.1Very low62.2Low134 Ų13477.4 Ų77.472%0.71743%0.429SS*.  trans-117.384.3169.9-81.9-13.1000112.1G210N208-G210 PolarHBondContact O-N 3.29Å
209N40.2Very low63Low169 Ų16974.4 Ų74.490%0.90441%0.413SS*.  trans-68.46158.9-78.7-2.2000112.7E211N209-E211 PolarHBondContact O-N 3.05Å
210G49Very low63.7Low51 Ų5174.7 Ų74.753%0.52641%0.414SS..SBendtrans-60.7122.8170.200000108.4N208 K212N208-G210 PolarHBondContact O-N 3.29Å; G210-K212 PolarHBondContact O-N 3.05Å
211E51.5Low65Low147 Ų14772.1 Ų72.169%0.68740%0.395SS*.  trans-42.4106.1174.3-69-178.5134.500108.9K23 N209 A213K23-E211 IonicContact NZ-OE1 3.98Å; K23-E211 PolarHBondContact NZ-OE1 2.67Å; N209-E211 PolarHBondContact O-N 3.05Å; E211-A213 PolarHBondContact O-N 3.42Å
212K63.6Low66.6Low62 Ų6274.4 Ų74.427%0.2740%0.401SS..  trans-75.857173.4-69.5-174.8-178.7179.30108.4L202 G210 M214L202-K212 HydrophobicContact CD2-CD 4.19Å; G210-K212 PolarHBondContact O-N 3.05Å; K212-M214 PolarHBondContact O-N 3.3Å
213A70.8Confident68.6Low17 Ų1776.6 Ų76.614%0.1441%0.412CS..  trans-66.8129.3-178.800000108.8F21 E211 L215F21-A213 HydrophobicContact CB-CB 4.39Å; F21-A213 HydrophobicContact CD1-CB 3.68Å; F21-A213 HydrophobicContact CE1-CB 4.44Å; F21-A213 HydrophobicContact CG-CB 4.43Å; E211-A213 PolarHBondContact O-N 3.42Å; A213-L215 PolarHBondContact O-N 2.87Å
214M87.7Confident70.8Confident0 Ų073 Ų730%039%0.394CS..EExtended strand (participates in β ladder)trans-76.3114.2173.8-70.1173.742.100108.6L22 F61 N64 L65 L197 K212 F216L22-M214 HydrophobicContact CB-CB 4.36Å; L22-M214 HydrophobicContact CD2-CE 4.08Å; L22-M214 PolarHBondContact N-O 3.04Å; F61-M214 HydrophobicContact CD2-CE 3.93Å; F61-M214 HydrophobicContact CE2-CE 3.4Å; F61-M214 VanDerWaalsContact CE2-CE 3.4Å; F61-M214 HydrophobicContact CE2-SD 4.46Å; F61-M214 HydrophobicContact CZ-CE 4.14Å; N64-M214 HydrophobicContact CB-CG 3.97Å; N64-M214 HydrophobicContact CB-SD 3.63Å; L65-M214 HydrophobicContact CD2-CE 3.8Å; L65-M214 HydrophobicContact CD2-SD 3.79Å; L65-M214 HydrophobicContact CG-SD 4.23Å; L197-M214 HydrophobicContact CD2-CE 3.86Å; K212-M214 PolarHBondContact O-N 3.3Å; M214-F216 HydrophobicContact CB-CD2 4.45Å; M214-F216 HydrophobicContact CB-CE2 3.83Å; M214-F216 HydrophobicContact CE-CE2 3.66Å; M214-F216 HydrophobicContact CE-CZ 3.72Å
215L92.5Very high72.9Confident37 Ų3770 Ų7019%0.19438%0.378CS..EExtended strand (participates in β ladder)trans-91.6124.4-179.1175.664.2000110P19 F21 N196 A213P19-L215 HydrophobicContact CB-CD1 4.07Å; F21-L215 HydrophobicContact CD1-CB 4.23Å; F21-L215 HydrophobicContact CD1-CD1 4.01Å; F21-L215 HydrophobicContact CD2-CD1 4.48Å; F21-L215 HydrophobicContact CE1-CB 4.09Å; F21-L215 HydrophobicContact CE1-CD1 3.79Å; F21-L215 HydrophobicContact CE1-CG 4.35Å; F21-L215 HydrophobicContact CE2-CD1 4.26Å; F21-L215 HydrophobicContact CG-CD1 4.37Å; F21-L215 HydrophobicContact CZ-CD1 3.92Å; N196-L215 HydrophobicContact CB-CB 4.39Å; N196-L215 PolarHBondContact N-O 3Å; N196-L215 PolarHBondContact O-N 2.91Å; A213-L215 PolarHBondContact O-N 2.87Å
216F95.1Very high75.2Confident0 Ų064.5 Ų64.50%034%0.338CS..EExtended strand (participates in β ladder)trans-116.3168.2169.7-68.2-98.9000109.9P19 F20 L22 I159 L190 A195 L197 M214P19-F216 CarbonylContact C-O 3.59Å; F20-F216 PolarHBondContact N-O 3.31Å; F20-F216 PolarHBondContact O-N 3.08Å; L22-F216 HydrophobicContact CB-CD2 4Å; L22-F216 HydrophobicContact CB-CE2 3.96Å; L22-F216 HydrophobicContact CD2-CE2 3.81Å; L22-F216 HydrophobicContact CD2-CZ 4.41Å; I159-F216 HydrophobicContact CD1-CE1 4.17Å; I159-F216 HydrophobicContact CD1-CZ 3.83Å; I159-F216 HydrophobicContact CG1-CE1 4.29Å; I159-F216 HydrophobicContact CG1-CZ 4.43Å; I159-F216 HydrophobicContact CG2-CE1 4.42Å; L190-F216 HydrophobicContact CB-CB 4.21Å; L190-F216 HydrophobicContact CB-CD1 3.78Å; L190-F216 HydrophobicContact CB-CE1 4.39Å; L190-F216 HydrophobicContact CB-CG 4.09Å; L190-F216 HydrophobicContact CD1-CB 4.41Å; L190-F216 HydrophobicContact CD1-CD2 4.33Å; L190-F216 HydrophobicContact CD1-CG 4.19Å; L190-F216 HydrophobicContact CD2-CB 3.99Å; L190-F216 HydrophobicContact CG-CB 4.43Å; A195-F216 HydrophobicContact CB-CD1 3.49Å; A195-F216 VanDerWaalsContact CB-CD1 3.49Å; A195-F216 HydrophobicContact CB-CE1 3.36Å; A195-F216 HydrophobicContact CB-CG 4.31Å; A195-F216 HydrophobicContact CB-CZ 4.09Å; L197-F216 HydrophobicContact CD2-CE1 4.39Å; L197-F216 HydrophobicContact CD2-CZ 3.89Å; M214-F216 HydrophobicContact CB-CD2 4.45Å; M214-F216 HydrophobicContact CB-CE2 3.83Å; M214-F216 HydrophobicContact CE-CE2 3.66Å; M214-F216 HydrophobicContact CE-CZ 3.72Å
217H94.3Very high77.3Confident66 Ų6663.7 Ų63.731%0.30634%0.336SS..EExtended strand (participates in β ladder)trans-114.5106.1165.4-64.979.5000107.8W17 E18 P191 L194W17-H217 HydrophobicContact CB-CB 4.4Å; E18-H217 CarbonylContact O-C 3.3Å; E18-H217 VanDerWaalsContact O-CA 3.31Å; E18-H217 WeakPolarHBondContact O-CA 3.37Å; P191-H217 VanDerWaalsContact CD-O 3.31Å; P191-H217 WeakPolarHBondContact CD-O 3.31Å; L194-H217 HydrophobicContact CB-CB 3.92Å; L194-H217 HydrophobicContact CD1-CB 3.9Å; L194-H217 PolarHBondContact O-ND1 2.74Å
218K94.2Very high79.4Confident42 Ų4262.3 Ų62.318%0.18333%0.33CS..EExtended strand (participates in β ladder)trans-70.8142.1-179.268.1179.2173.7-170.60110.4W17 E18 F20 T188 F189 L190W17-K218 WeakPolarHBondContact CA-O 3.29Å; E18-K218 HydrophobicContact CB-CG 4.15Å; E18-K218 PolarHBondContact N-O 3.18Å; E18-K218 VanDerWaalsContact N-O 3.15Å; E18-K218 WeakPolarHBondContact O-CG 3.25Å; E18-K218 PolarHBondContact O-N 2.88Å; E18-K218 VanDerWaalsContact OE1-CE 3.29Å; E18-K218 WeakPolarHBondContact OE1-CE 3.14Å; E18-K218 IonicContact OE1-NZ 3.42Å; E18-K218 PolarHBondContact OE1-NZ 3.35Å; E18-K218 WeakPolarHBondContact OE2-CE 3.48Å; E18-K218 IonicContact OE2-NZ 2.67Å; E18-K218 PolarHBondContact OE2-NZ 3.22Å; F20-K218 HydrophobicContact CB-CB 4.1Å; F20-K218 HydrophobicContact CB-CD 4.34Å; F20-K218 HydrophobicContact CB-CG 4.23Å; F20-K218 HydrophobicContact CD2-CD 3.97Å; F20-K218 HydrophobicContact CG-CD 4.48Å; T188-K218 HydrophobicContact CG2-CB 3.61Å; T188-K218 HydrophobicContact CG2-CD 3.94Å; T188-K218 HydrophobicContact CG2-CG 4.36Å; F189-K218 WeakPolarHBondContact O-CA 3.5Å; L190-K218 HydrophobicContact CD2-CB 3.63Å
219F93.5Very high81.6Confident7 Ų756.5 Ų56.53%0.03130%0.3CS..EExtended strand (participates in β ladder)trans-75134.1172.2179.1-120.2000110.5L10 W17 Y166 M169 F189 P221 L226L10-F219 HydrophobicContact CD1-CE2 4.17Å; L10-F219 HydrophobicContact CD1-CZ 4.29Å; W17-F219 HydrophobicContact CE3-CB 4.2Å; W17-F219 HydrophobicContact CE3-CD2 4.2Å; W17-F219 AromaticContact CH2-CD2 3.85Å; W17-F219 HydrophobicContact CH2-CD2 3.85Å; W17-F219 HydrophobicContact CZ2-CD2 4.43Å; W17-F219 HydrophobicContact CZ3-CB 3.76Å; W17-F219 AromaticContact CZ3-CD2 3.7Å; W17-F219 HydrophobicContact CZ3-CD2 3.7Å; W17-F219 HydrophobicContact CZ3-CG 4.16Å; Y166-F219 HydrophobicContact CD1-CB 4.46Å; Y166-F219 AromaticContact CD1-CD1 3.79Å; Y166-F219 HydrophobicContact CD1-CD1 3.79Å; Y166-F219 AromaticContact CD1-CD2 3.84Å; Y166-F219 HydrophobicContact CD1-CD2 3.84Å; Y166-F219 AromaticContact CD1-CE1 3.86Å; Y166-F219 HydrophobicContact CD1-CE1 3.86Å; Y166-F219 AromaticContact CD1-CE2 3.93Å; Y166-F219 HydrophobicContact CD1-CE2 3.93Å; Y166-F219 AromaticContact CD1-CG 3.76Å; Y166-F219 HydrophobicContact CD1-CG 3.76Å; Y166-F219 AromaticContact CD1-CZ 3.93Å; Y166-F219 HydrophobicContact CD1-CZ 3.93Å; Y166-F219 HydrophobicContact CE1-CB 4.33Å; Y166-F219 HydrophobicContact CE1-CD1 4.46Å; Y166-F219 AromaticContact CE1-CD2 3.98Å; Y166-F219 HydrophobicContact CE1-CD2 3.98Å; Y166-F219 HydrophobicContact CE1-CE2 4.39Å; Y166-F219 HydrophobicContact CE1-CG 4.01Å; M169-F219 HydrophobicContact CB-CD1 4.42Å; F189-F219 HydrophobicContact CB-CB 4.42Å; F189-F219 HydrophobicContact CD1-CB 4.15Å; F189-F219 PolarHBondContact O-N 3.26Å; F219-P221 HydrophobicContact CD1-CG 3.85Å; F219-P221 HydrophobicContact CE1-CB 4.01Å; F219-P221 HydrophobicContact CE1-CG 3.78Å; F219-P221 WeakPolarHBondContact O-CD 3.41Å; F219-L226 HydrophobicContact CZ-CD1 4.48Å
220I90.7Very high83.9Confident34 Ų3449.7 Ų49.717%0.17427%0.265CS..  trans-109.598.2174.3-55.6174.9000109.2S16 E18 K222 L223 S224S16-I220 PolarHBondContact O-N 3.08Å; E18-I220 HydrophobicContact CB-CD1 3.66Å; E18-I220 HydrophobicContact CB-CG1 4.39Å; I220-K222 VanDerWaalsContact C-N 3.29Å; I220-K222 HydrophobicContact CG2-CB 4.45Å; I220-K222 PolarHBondContact O-N 2.9Å; I220-L223 HydrophobicContact CB-CB 4.28Å; I220-L223 HydrophobicContact CB-CD1 4.3Å; I220-L223 HydrophobicContact CB-CG 4.38Å; I220-L223 HydrophobicContact CD1-CD1 3.94Å; I220-L223 HydrophobicContact CG2-CB 4.01Å; I220-L223 HydrophobicContact CG2-CD1 3.88Å; I220-L223 HydrophobicContact CG2-CG 3.7Å; I220-L223 PolarHBondContact O-N 3.08Å; I220-L223 VanDerWaalsContact O-N 3.13Å; I220-S224 PolarHBondContact O-N 2.83Å
221P88.3Confident85.4Confident32 Ų3250 Ų5021%0.20826%0.255CS..G310 helixtrans-56.1-40.7-177.2-25.732.2000113.4M169 F219 L223 S224M169-P221 HydrophobicContact CB-CG 4.03Å; M169-P221 WeakPolarHBondContact O-CG 3.5Å; F219-P221 HydrophobicContact CD1-CG 3.85Å; F219-P221 HydrophobicContact CE1-CB 4.01Å; F219-P221 HydrophobicContact CE1-CG 3.78Å; F219-P221 WeakPolarHBondContact O-CD 3.41Å; P221-L223 PolarHBondContact O-N 3.04Å; P221-S224 WeakPolarHBondContact O-CB 3.18Å; P221-S224 PolarHBondContact O-N 2.95Å; P221-S224 PolarHBondContact O-OG 3.36Å
222K86.6Confident87Confident150 Ų15044 Ų4465%0.65223%0.227SC*.G310 helixtrans-62.9-26.6-177.9-63.9-179.3-175.9174.30113.9I220I220-K222 VanDerWaalsContact C-N 3.29Å; I220-K222 HydrophobicContact CG2-CB 4.45Å; I220-K222 PolarHBondContact O-N 2.9Å
223L88.8Confident88.3Confident91 Ų9141.3 Ų41.348%0.47622%0.215SC..G310 helixtrans-99.72.5179.9-61.6-178.4000111.9V15 S16 I220 P221V15-L223 HydrophobicContact CG1-CB 4.29Å; V15-L223 HydrophobicContact CG1-CD1 4.38Å; V15-L223 WeakPolarHBondContact O-CB 3.33Å; V15-L223 VanDerWaalsContact O-CD1 3.28Å; V15-L223 WeakPolarHBondContact O-CD1 3.49Å; S16-L223 PolarHBondContact OG-O 2.85Å; I220-L223 HydrophobicContact CB-CB 4.28Å; I220-L223 HydrophobicContact CB-CD1 4.3Å; I220-L223 HydrophobicContact CB-CG 4.38Å; I220-L223 HydrophobicContact CD1-CD1 3.94Å; I220-L223 HydrophobicContact CG2-CB 4.01Å; I220-L223 HydrophobicContact CG2-CD1 3.88Å; I220-L223 HydrophobicContact CG2-CG 3.7Å; I220-L223 PolarHBondContact O-N 3.08Å; I220-L223 VanDerWaalsContact O-N 3.13Å; P221-L223 PolarHBondContact O-N 3.04Å
224S89.4Confident89.2Confident9 Ų940.6 Ų40.66%0.06321%0.209CC..SBendtrans-89.4157.8177.681.30000111.4S16 I220 P221 L226 A227S16-S224 WeakPolarHBondContact OG-CA 3.33Å; I220-S224 PolarHBondContact O-N 2.83Å; P221-S224 WeakPolarHBondContact O-CB 3.18Å; P221-S224 PolarHBondContact O-N 2.95Å; P221-S224 PolarHBondContact O-OG 3.36Å; S224-L226 PolarHBondContact O-N 2.98Å; S224-L226 VanDerWaalsContact O-N 3.13Å; S224-L226 WeakPolarHBondContact OG-CB 3.22Å; S224-L226 PolarHBondContact OG-N 3.06Å; S224-A227 VanDerWaalsContact O-CB 3.28Å; S224-A227 WeakPolarHBondContact O-CB 3.4Å; S224-A227 PolarHBondContact O-N 2.8Å
225I87.5Confident89.2Confident53 Ų5340.7 Ų40.727%0.27221%0.21SC..G310 helixtrans-59.8-23.6174.1-158.2-178.7000112.3L10 A227 K228 L273 L277L10-I225 HydrophobicContact CD2-CG2 4.07Å; I225-A227 PolarHBondContact O-N 3.14Å; I225-K228 HydrophobicContact CG1-CD 4.26Å; I225-K228 WeakPolarHBondContact O-CB 3.34Å; I225-K228 WeakPolarHBondContact O-CG 3.4Å; I225-K228 PolarHBondContact O-N 2.89Å; I225-L273 HydrophobicContact CG2-CD2 3.85Å; I225-L277 HydrophobicContact CB-CD1 4.34Å; I225-L277 HydrophobicContact CD1-CD1 3.87Å; I225-L277 HydrophobicContact CG1-CD1 3.63Å; I225-L277 HydrophobicContact CG2-CD1 4.15Å; I225-L277 WeakPolarHBondContact O-CD1 3.27Å
226L89.3Confident89.2Confident5 Ų539 Ų393%0.02620%0.201CC..G310 helixtrans-67-21.4177.4-58.9176.7000112.7L6 L10 I167 F219 S224 K228 S229 L234 L237 L273L6-L226 HydrophobicContact CD1-CD2 4.28Å; L10-L226 HydrophobicContact CD1-CD1 4.21Å; L10-L226 HydrophobicContact CD2-CG 4.39Å; I167-L226 HydrophobicContact CD1-CD1 4.1Å; I167-L226 HydrophobicContact CD1-CD2 4.44Å; F219-L226 HydrophobicContact CZ-CD1 4.48Å; S224-L226 PolarHBondContact O-N 2.98Å; S224-L226 VanDerWaalsContact O-N 3.13Å; S224-L226 WeakPolarHBondContact OG-CB 3.22Å; S224-L226 PolarHBondContact OG-N 3.06Å; L226-K228 PolarHBondContact O-N 3.49Å; L226-K228 VanDerWaalsContact O-N 3.08Å; L226-S229 PolarHBondContact O-N 3.36Å; L226-L234 HydrophobicContact CB-CD2 4.2Å; L226-L234 HydrophobicContact CD2-CD2 4.37Å; L226-L237 HydrophobicContact CD2-CD2 4.15Å; L226-L273 HydrophobicContact CD2-CD1 4.32Å
227A86.9Confident89Confident57 Ų5739 Ų3947%0.47120%0.201SC..G310 helixtrans-63-13.6175.600000113.6S224 I225 S229S224-A227 VanDerWaalsContact O-CB 3.28Å; S224-A227 WeakPolarHBondContact O-CB 3.4Å; S224-A227 PolarHBondContact O-N 2.8Å; I225-A227 PolarHBondContact O-N 3.14Å; A227-S229 VanDerWaalsContact C-N 3.28Å
228K87.1Confident88.8Confident145 Ų14535.9 Ų35.963%0.6319%0.186SC*.G310 helixtrans-74.1-16.7173.9-63.7-177.7178.3-175.80113.5I225 L226I225-K228 HydrophobicContact CG1-CD 4.26Å; I225-K228 WeakPolarHBondContact O-CB 3.34Å; I225-K228 WeakPolarHBondContact O-CG 3.4Å; I225-K228 PolarHBondContact O-N 2.89Å; L226-K228 PolarHBondContact O-N 3.49Å; L226-K228 VanDerWaalsContact O-N 3.08Å
229S87.3Confident88.7Confident12 Ų1233.9 Ų33.98%0.08418%0.178CC..SBendtrans-98.8148.6176.8-176.90000110.1L226 A227L226-S229 PolarHBondContact O-N 3.36Å; A227-S229 VanDerWaalsContact C-N 3.28Å
230S87.6Confident88.6Confident26 Ų2633.6 Ų33.618%0.18218%0.176CC..  trans-69.1155.6168.982.40000111F232 H233 L234 S285S230-F232 PolarHBondContact O-N 3.38Å; S230-F232 PolarHBondContact OG-N 3Å; S230-H233 PolarHBondContact O-N 2.9Å; S230-H233 VanDerWaalsContact O-N 3.15Å; S230-H233 PolarHBondContact OG-N 2.68Å; S230-H233 PolarHBondContact OG-ND1 2.98Å; S230-L234 WeakPolarHBondContact O-CG 3.33Å; S230-L234 PolarHBondContact O-N 3.32Å; S230-S285 VanDerWaalsContact CB-O 3.24Å; S230-S285 WeakPolarHBondContact CB-O 3.44Å; S230-S285 PolarHBondContact OG-O 2.93Å
231D81.8Confident88.6Confident57 Ų5733 Ų3331%0.30517%0.173SC..THydrogen-bonded Turntrans-63.9-29.1177.1-63.3-62.8000113.2S170 K171S170-D231 WeakPolarHBondContact CB-OD1 3.41Å; S170-D231 PolarHBondContact OG-OD1 3.36Å; S170-D231 VanDerWaalsContact OG-OD1 3.07Å; K171-D231 VanDerWaalsContact C-CG 3.48Å; K171-D231 WeakPolarHBondContact CA-OD1 3.39Å; K171-D231 WeakPolarHBondContact CB-OD2 3.36Å; K171-D231 PolarHBondContact N-OD1 3.04Å; K171-D231 WeakPolarHBondContact O-CB 3.13Å
232F85.1Confident88.5Confident22 Ų2231.5 Ų31.510%0.09616%0.164CC..THydrogen-bonded Turntrans-64.8-39.6174.4175.5-100.8000111.7S230 S285 I288 L360 K361S230-F232 PolarHBondContact O-N 3.38Å; S230-F232 PolarHBondContact OG-N 3Å; F232-S285 WeakPolarHBondContact CB-O 3.33Å; F232-I288 HydrophobicContact CZ-CG2 4.32Å; F232-L360 HydrophobicContact CD2-CB 4.04Å; F232-L360 HydrophobicContact CE1-CD1 4.35Å; F232-L360 HydrophobicContact CE2-CB 3.48Å; F232-L360 VanDerWaalsContact CE2-CB 3.48Å; F232-L360 HydrophobicContact CE2-CD1 4.42Å; F232-L360 HydrophobicContact CZ-CB 3.89Å; F232-L360 HydrophobicContact CZ-CD1 3.96Å; F232-K361 HydrophobicContact CE2-CG 3.93Å
233H89.3Confident88.4Confident5 Ų524.4 Ų24.42%0.02313%0.133CC..THydrogen-bonded Turntrans-84-21-177.3-63.9135.8000114.3S230 F236 L237 F280 D284 S287S230-H233 PolarHBondContact O-N 2.9Å; S230-H233 VanDerWaalsContact O-N 3.15Å; S230-H233 PolarHBondContact OG-N 2.68Å; S230-H233 PolarHBondContact OG-ND1 2.98Å; H233-F236 CarbonylContact O-C 3.52Å; H233-F236 WeakPolarHBondContact O-CA 3.44Å; H233-F236 WeakPolarHBondContact O-CB 3.45Å; H233-F236 PolarHBondContact O-N 2.87Å; H233-L237 PolarHBondContact O-N 2.62Å; H233-F280 HydrophobicContact CB-CD1 3.71Å; H233-F280 HydrophobicContact CB-CE1 3.75Å; H233-F280 HydrophobicContact CB-CG 4.41Å; H233-F280 HydrophobicContact CB-CZ 4.49Å; H233-F280 AromaticContact CD2-CE1 3.97Å; H233-F280 AromaticContact CG-CD1 3.64Å; H233-F280 AromaticContact CG-CE1 3.84Å; H233-F280 AromaticContact ND1-CD1 3.89Å; H233-D284 PolarHBondContact CE1-O 3.05Å; H233-D284 VanDerWaalsContact CE1-O 3.27Å; H233-S287 PolarHBondContact NE2-O 3.25Å
234L89.5Confident87.9Confident2 Ų220.3 Ų20.31%0.0111%0.112CC..Hα-helixtrans-56.7-40.9-173.1-82.8173.7000115.7I167 S170 L226 S230 F236 L237 A238I167-L234 HydrophobicContact CD1-CD2 4.46Å; I167-L234 HydrophobicContact CG2-CB 4.25Å; S170-L234 WeakPolarHBondContact OG-CD1 3.17Å; L226-L234 HydrophobicContact CB-CD2 4.2Å; L226-L234 HydrophobicContact CD2-CD2 4.37Å; S230-L234 WeakPolarHBondContact O-CG 3.33Å; S230-L234 PolarHBondContact O-N 3.32Å; L234-F236 VanDerWaalsContact C-N 3.29Å; L234-F236 PolarHBondContact O-N 3.27Å; L234-L237 HydrophobicContact CD2-CD2 3.87Å; L234-L237 WeakPolarHBondContact O-CB 3.35Å; L234-L237 PolarHBondContact O-N 2.91Å; L234-A238 PolarHBondContact O-N 2.76Å
235P88.9Confident87.2Confident3 Ų321 Ų212%0.01912%0.115CC..Hα-helixtrans-63.5-38.6174.6-25.739.4000112.3A238 V239 I314 F317 L360P235-A238 WeakPolarHBondContact O-CB 3.25Å; P235-A238 PolarHBondContact O-N 2.92Å; P235-V239 PolarHBondContact O-N 3.16Å; P235-I314 HydrophobicContact CB-CG1 4.39Å; P235-I314 HydrophobicContact CB-CG2 4.11Å; P235-F317 HydrophobicContact CB-CB 4.07Å; P235-F317 HydrophobicContact CB-CD2 4.12Å; P235-F317 HydrophobicContact CB-CG 4.37Å; P235-F317 HydrophobicContact CG-CB 4.2Å; P235-L360 HydrophobicContact CB-CD2 3.96Å; P235-L360 HydrophobicContact CG-CD2 4.37Å
236F91.4Very high86.8Confident2 Ų219.3 Ų19.31%0.00911%0.107CC..Hα-helixtrans-69.6-42.3177.5-173.4-128.7000111H233 L234 A238 V239 L240 F280 P290 L291 V294 M310 I314 L360H233-F236 CarbonylContact O-C 3.52Å; H233-F236 WeakPolarHBondContact O-CA 3.44Å; H233-F236 WeakPolarHBondContact O-CB 3.45Å; H233-F236 PolarHBondContact O-N 2.87Å; L234-F236 VanDerWaalsContact C-N 3.29Å; L234-F236 PolarHBondContact O-N 3.27Å; F236-A238 VanDerWaalsContact C-N 3.27Å; F236-A238 PolarHBondContact O-N 3.14Å; F236-V239 WeakPolarHBondContact O-CB 3.4Å; F236-V239 PolarHBondContact O-N 2.99Å; F236-V239 VanDerWaalsContact O-N 3.07Å; F236-L240 HydrophobicContact CD1-CD1 4.09Å; F236-L240 HydrophobicContact CD1-CG 4.46Å; F236-L240 HydrophobicContact CD2-CG 4.47Å; F236-L240 HydrophobicContact CE1-CD1 3.72Å; F236-L240 HydrophobicContact CE1-CD2 4.4Å; F236-L240 HydrophobicContact CE1-CG 4.2Å; F236-L240 HydrophobicContact CE2-CD2 3.97Å; F236-L240 HydrophobicContact CE2-CG 4.22Å; F236-L240 HydrophobicContact CZ-CD1 4.02Å; F236-L240 HydrophobicContact CZ-CD2 3.83Å; F236-L240 HydrophobicContact CZ-CG 4.08Å; F236-L240 WeakPolarHBondContact O-CG 3.3Å; F236-L240 PolarHBondContact O-N 3.34Å; F236-F280 AromaticContact CD1-CE1 3.89Å; F236-F280 HydrophobicContact CD1-CE1 3.89Å; F236-F280 AromaticContact CD1-CZ 3.63Å; F236-F280 HydrophobicContact CD1-CZ 3.63Å; F236-F280 HydrophobicContact CE1-CE1 4.44Å; F236-F280 HydrophobicContact CE1-CZ 4.16Å; F236-P290 HydrophobicContact CE1-CB 4.13Å; F236-L291 HydrophobicContact CD2-CD1 4.36Å; F236-L291 HydrophobicContact CE1-CB 4.38Å; F236-L291 HydrophobicContact CE2-CD1 3.72Å; F236-L291 HydrophobicContact CZ-CB 4.33Å; F236-L291 HydrophobicContact CZ-CD1 3.9Å; F236-V294 HydrophobicContact CE1-CG2 4.3Å; F236-V294 HydrophobicContact CZ-CB 3.97Å; F236-V294 HydrophobicContact CZ-CG1 4.29Å; F236-V294 HydrophobicContact CZ-CG2 3.85Å; F236-M310 HydrophobicContact CE2-CE 4.32Å; F236-M310 HydrophobicContact CE2-SD 4.05Å; F236-I314 HydrophobicContact CD2-CD1 4.46Å; F236-L360 HydrophobicContact CB-CD2 4.06Å
237L92.3Very high86.1Confident0 Ų022.3 Ų22.30%013%0.128CC..Hα-helixtrans-53.3-45.2171.1175.368.5000111.3L226 H233 L234 V239 L240 L241 L273 L276 L277 F280L226-L237 HydrophobicContact CD2-CD2 4.15Å; H233-L237 PolarHBondContact O-N 2.62Å; L234-L237 HydrophobicContact CD2-CD2 3.87Å; L234-L237 WeakPolarHBondContact O-CB 3.35Å; L234-L237 PolarHBondContact O-N 2.91Å; L237-V239 VanDerWaalsContact C-N 3.31Å; L237-V239 PolarHBondContact O-N 2.56Å; L237-L240 PolarHBondContact O-N 2.81Å; L237-L241 HydrophobicContact CD1-CD1 4.41Å; L237-L241 HydrophobicContact CD1-CG 4.31Å; L237-L241 HydrophobicContact CG-CD1 4.08Å; L237-L241 HydrophobicContact CG-CG 4.41Å; L237-L241 VanDerWaalsContact O-CG 3.3Å; L237-L241 WeakPolarHBondContact O-CG 3.49Å; L237-L241 PolarHBondContact O-N 3.35Å; L237-L273 HydrophobicContact CD1-CD1 4.45Å; L237-L273 HydrophobicContact CD2-CD1 4.27Å; L237-L276 HydrophobicContact CD1-CB 3.62Å; L237-L276 HydrophobicContact CD1-CD1 4.06Å; L237-L276 HydrophobicContact CD1-CG 4.44Å; L237-L277 HydrophobicContact CD2-CD2 3.65Å; L237-L277 HydrophobicContact CD2-CG 4.48Å; L237-F280 HydrophobicContact CB-CD2 4.47Å; L237-F280 HydrophobicContact CB-CE2 3.89Å; L237-F280 HydrophobicContact CB-CZ 4.42Å; L237-F280 HydrophobicContact CD1-CD2 3.92Å; L237-F280 HydrophobicContact CD1-CE2 3.66Å; L237-F280 HydrophobicContact CG-CE2 4.37Å
238A90.5Very high85.6Confident0 Ų026.2 Ų26.20%014%0.141CC..Hα-helixtrans-60-41.1177.600000112.4V3 I167 L234 P235 F236 G242 F317V3-A238 HydrophobicContact CG2-CB 3.85Å; I167-A238 HydrophobicContact CD1-CB 4.27Å; I167-A238 HydrophobicContact CG1-CB 4.03Å; I167-A238 HydrophobicContact CG2-CB 4.35Å; L234-A238 PolarHBondContact O-N 2.76Å; P235-A238 WeakPolarHBondContact O-CB 3.25Å; P235-A238 PolarHBondContact O-N 2.92Å; F236-A238 VanDerWaalsContact C-N 3.27Å; F236-A238 PolarHBondContact O-N 3.14Å; A238-G242 PolarHBondContact O-N 3.35Å; A238-F317 HydrophobicContact CB-CD2 4.48Å; A238-F317 HydrophobicContact CB-CE1 4.31Å; A238-F317 HydrophobicContact CB-CE2 3.6Å; A238-F317 HydrophobicContact CB-CZ 3.5Å; A238-F317 VanDerWaalsContact CB-CZ 3.5Å
239V90.5Very high85.6Confident0 Ų019.8 Ų19.80%011%0.114CC..Hα-helixtrans-63.8-43.1173.4167.30000111.9P235 F236 L237 G242 I246 V249 M310 I314P235-V239 PolarHBondContact O-N 3.16Å; F236-V239 WeakPolarHBondContact O-CB 3.4Å; F236-V239 PolarHBondContact O-N 2.99Å; F236-V239 VanDerWaalsContact O-N 3.07Å; L237-V239 VanDerWaalsContact C-N 3.31Å; L237-V239 PolarHBondContact O-N 2.56Å; V239-G242 PolarHBondContact O-N 3.14Å; V239-I246 HydrophobicContact CG1-CD1 3.84Å; V239-I246 HydrophobicContact CG2-CD1 4.49Å; V239-V249 HydrophobicContact CG1-CG2 4.06Å; V239-M310 HydrophobicContact CG1-CG 4.21Å; V239-I314 HydrophobicContact CG2-CG1 4.02Å
240L92.3Very high85.7Confident0 Ų025 Ų250%013%0.132CC..Hα-helixtrans-69.4-32.2179.6-64.3-174.2000113.6F236 L237 G242 V249 L251 R272 L276 W279 F280 V294F236-L240 HydrophobicContact CD1-CD1 4.09Å; F236-L240 HydrophobicContact CD1-CG 4.46Å; F236-L240 HydrophobicContact CD2-CG 4.47Å; F236-L240 HydrophobicContact CE1-CD1 3.72Å; F236-L240 HydrophobicContact CE1-CD2 4.4Å; F236-L240 HydrophobicContact CE1-CG 4.2Å; F236-L240 HydrophobicContact CE2-CD2 3.97Å; F236-L240 HydrophobicContact CE2-CG 4.22Å; F236-L240 HydrophobicContact CZ-CD1 4.02Å; F236-L240 HydrophobicContact CZ-CD2 3.83Å; F236-L240 HydrophobicContact CZ-CG 4.08Å; F236-L240 WeakPolarHBondContact O-CG 3.3Å; F236-L240 PolarHBondContact O-N 3.34Å; L237-L240 PolarHBondContact O-N 2.81Å; L240-G242 VanDerWaalsContact C-N 3.26Å; L240-V249 HydrophobicContact CD2-CB 4.06Å; L240-V249 HydrophobicContact CD2-CG1 3.67Å; L240-L251 HydrophobicContact CB-CD2 4.41Å; L240-L251 HydrophobicContact CD1-CD2 4.45Å; L240-L251 HydrophobicContact CD2-CD2 4.14Å; L240-R272 PolarHBondContact O-NE 3.24Å; L240-R272 PolarHBondContact O-NH2 3.21Å; L240-L276 HydrophobicContact CB-CD1 4.02Å; L240-L276 HydrophobicContact CB-CD2 4.27Å; L240-L276 HydrophobicContact CD1-CD2 4.03Å; L240-W279 HydrophobicContact CD1-CZ3 3.88Å; L240-F280 HydrophobicContact CD1-CE2 3.99Å; L240-F280 HydrophobicContact CD1-CZ 3.77Å; L240-V294 HydrophobicContact CD1-CG2 4.35Å; L240-V294 HydrophobicContact CD2-CG1 4.01Å; L240-V294 HydrophobicContact CD2-CG2 4Å
241L89.7Confident86Confident22 Ų2223.9 Ų23.912%0.11512%0.124CC..Hα-helixtrans-65.2-34.2173-74.9169.6000112V3 L237 L273 L276V3-L241 HydrophobicContact CG1-CB 3.92Å; V3-L241 HydrophobicContact CG1-CD1 3.97Å; L237-L241 HydrophobicContact CD1-CD1 4.41Å; L237-L241 HydrophobicContact CD1-CG 4.31Å; L237-L241 HydrophobicContact CG-CD1 4.08Å; L237-L241 HydrophobicContact CG-CG 4.41Å; L237-L241 VanDerWaalsContact O-CG 3.3Å; L237-L241 WeakPolarHBondContact O-CG 3.49Å; L237-L241 PolarHBondContact O-N 3.35Å; L241-L273 HydrophobicContact CD1-CD1 3.78Å; L241-L273 HydrophobicContact CD2-CB 3.92Å; L241-L273 HydrophobicContact CD2-CD1 3.86Å; L241-L273 HydrophobicContact CG-CD1 4.35Å; L241-L276 HydrophobicContact CD2-CD1 3.85Å; L241-L276 HydrophobicContact CG-CD1 4.16Å
242G87.8Confident86.6Confident1 Ų122 Ų221%0.0112%0.115CC..  trans111.8130.2-177.800000111.6L4 A238 V239 L240 I246L4-G242 PolarHBondContact N-O 2.78Å; A238-G242 PolarHBondContact O-N 3.35Å; V239-G242 PolarHBondContact O-N 3.14Å; L240-G242 VanDerWaalsContact C-N 3.26Å; G242-I246 CarbonylContact C-O 3.39Å; G242-I246 VanDerWaalsContact CA-O 3.27Å; G242-I246 WeakPolarHBondContact CA-O 3.33Å
243T84.5Confident86.9Confident0 Ų027 Ų270%014%0.142CC..BIsolated β-bridgetrans-114.8172.7172.962.50000109.8V245 I246T243-V245 PolarHBondContact O-N 3.32Å; T243-V245 PolarHBondContact OG1-N 3.44Å; T243-I246 PolarHBondContact N-O 3.19Å; T243-I246 CarbonylContact O-C 3.55Å; T243-I246 PolarHBondContact O-N 3.19Å; T243-I246 PolarHBondContact OG1-N 2.99Å; T243-I246 PolarHBondContact OG1-O 3.35Å
244D76.5Confident87Confident6 Ų633.1 Ų33.13%0.03217%0.17CC..SBendtrans-64.7-13.2169.853.63.9000114M1 Y89 R316M1-D244 WeakPolarHBondContact CA-OD2 3.31Å; M1-D244 VanDerWaalsContact CB-OD2 3.32Å; M1-D244 WeakPolarHBondContact CB-OD2 3.37Å; M1-D244 WeakPolarHBondContact CG-OD2 3.48Å; Y89-D244 WeakPolarHBondContact CB-O 3.49Å; Y89-D244 HydrophobicContact CD1-CB 3.51Å; Y89-D244 HydrophobicContact CD2-CB 4.26Å; Y89-D244 HydrophobicContact CE1-CB 3.5Å; Y89-D244 HydrophobicContact CE2-CB 4.28Å; Y89-D244 HydrophobicContact CG-CB 3.88Å; D244-R316 IonicContact OD1-CZ 2.84Å; D244-R316 IonicContact OD1-NH1 3.92Å; D244-R316 PolarHBondContact OD1-NH1 2.99Å; D244-R316 IonicContact OD1-NH2 3.95Å; D244-R316 IonicContact OD2-NH1 2.92Å; D244-R316 IonicContact OD2-NH2 2.84Å
245V76.1Confident87.2Confident23 Ų2333.1 Ų33.114%0.13917%0.17CC..SBendtrans-96.5-45.1173-176.90000111.3R85 Q86 T243 H312R85-V245 HydrophobicContact CB-CG1 3.62Å; Q86-V245 HydrophobicContact CG-CG2 3.61Å; T243-V245 PolarHBondContact O-N 3.32Å; T243-V245 PolarHBondContact OG1-N 3.44Å; V245-H312 VanDerWaalsContact CG1-CD2 3.45Å; V245-H312 WeakPolarHBondContact CG1-CD2 3.42Å
246I77.8Confident87.3Confident18 Ų1836.4 Ų36.49%0.09219%0.185CC..  trans-124.6101.8-175.5-46.7168.4000108.2V239 G242 T243 V249 D309V239-I246 HydrophobicContact CG1-CD1 3.84Å; V239-I246 HydrophobicContact CG2-CD1 4.49Å; G242-I246 CarbonylContact C-O 3.39Å; G242-I246 VanDerWaalsContact CA-O 3.27Å; G242-I246 WeakPolarHBondContact CA-O 3.33Å; T243-I246 PolarHBondContact N-O 3.19Å; T243-I246 CarbonylContact O-C 3.55Å; T243-I246 PolarHBondContact O-N 3.19Å; T243-I246 PolarHBondContact OG1-N 2.99Å; T243-I246 PolarHBondContact OG1-O 3.35Å; I246-V249 HydrophobicContact CG2-CG2 3.36Å; I246-D309 HydrophobicContact CD1-CB 3.98Å; I246-D309 WeakPolarHBondContact CD1-O 3.44Å; I246-D309 HydrophobicContact CG1-CB 4.11Å
247S74.4Confident87.2Confident67 Ų6742.3 Ų42.347%0.46921%0.213SC..  trans-94.4-28.9-175.650.70000114.2
248N77.2Confident87.1Confident140 Ų14045.9 Ų45.975%0.74923%0.229SC*.  trans-133.770.6-169.1-71.8-27000112.1
249V87.6Confident87Confident9 Ų946.9 Ų46.96%0.05523%0.234CC..PPolyproline II helixtrans-73.1129.3167.8-172.20000109.2V239 L240 I246 L251 V294 M310V239-V249 HydrophobicContact CG1-CG2 4.06Å; L240-V249 HydrophobicContact CD2-CB 4.06Å; L240-V249 HydrophobicContact CD2-CG1 3.67Å; I246-V249 HydrophobicContact CG2-CG2 3.36Å; V249-L251 PolarHBondContact O-N 3.01Å; V249-V294 HydrophobicContact CG1-CG1 3.46Å; V249-V294 VanDerWaalsContact CG1-CG1 3.46Å; V249-M310 HydrophobicContact CG1-CE 3.89Å
250R89.9Confident86.7Confident121 Ų12153.5 Ų53.546%0.45727%0.265SS..PPolyproline II helixtrans-64.7129.9173.1-68.8-178.5-179.3-177.50.6108.5C297 Y298R250-C297 HydrophobicContact CB-CB 3.93Å; R250-C297 PolarHBondContact NH1-O 2.79Å; R250-Y298 HydrophobicContact CB-CE1 4.4Å; R250-Y298 HydrophobicContact CB-CE2 3.8Å; R250-Y298 HydrophobicContact CG-CE1 3.93Å; R250-Y298 HydrophobicContact CG-CE2 4.25Å; R250-Y298 PolarHBondContact N-OH 3.03Å
251L92.8Very high86.1Confident4 Ų457.8 Ų57.82%0.02129%0.291CS..PPolyproline II helixtrans-96.9155.8174.4-60.2-177.2000109.6L240 V249 L255 Q256 L259 L276L240-L251 HydrophobicContact CB-CD2 4.41Å; L240-L251 HydrophobicContact CD1-CD2 4.45Å; L240-L251 HydrophobicContact CD2-CD2 4.14Å; V249-L251 PolarHBondContact O-N 3.01Å; L251-L255 HydrophobicContact CB-CB 4.1Å; L251-L255 HydrophobicContact CB-CD1 4.32Å; L251-L255 HydrophobicContact CD1-CB 4.37Å; L251-Q256 HydrophobicContact CB-CG 4.41Å; L251-Q256 PolarHBondContact O-NE2 2.99Å; L251-L259 HydrophobicContact CD1-CD1 3.91Å; L251-L276 HydrophobicContact CD1-CD2 4.07Å; L251-L276 HydrophobicContact CD2-CD2 3.98Å
252P94.3Very high84.8Confident18 Ų1863.6 Ų63.612%0.11732%0.322CS..PPolyproline II helixtrans-49.9147.5168.8-2936000112.5E254 L255 Q256 W279 D293P252-E254 VanDerWaalsContact C-N 3.27Å; P252-E254 PolarHBondContact O-N 2.92Å; P252-L255 WeakPolarHBondContact O-CB 3.23Å; P252-L255 PolarHBondContact O-N 3.12Å; P252-Q256 PolarHBondContact O-N 3.22Å; P252-W279 HydrophobicContact CG-CH2 4.42Å; P252-W279 HydrophobicContact CG-CZ2 4.03Å; P252-D293 HydrophobicContact CG-CB 3.97Å
253L91.9Very high83.5Confident126 Ų12671.4 Ų71.466%0.6636%0.364SS*.Hα-helixtrans-53.8-42.7-174.2-72.4172000112.6L255 Q256 E257L253-L255 PolarHBondContact O-N 3.08Å; L253-Q256 WeakPolarHBondContact O-CA 3.29Å; L253-Q256 WeakPolarHBondContact O-CB 3.32Å; L253-Q256 PolarHBondContact O-N 3.32Å; L253-E257 WeakPolarHBondContact O-CG 3.4Å; L253-E257 PolarHBondContact O-N 3.29Å
254E91.7Very high82.6Confident133 Ų13373.7 Ų73.762%0.62138%0.38SS*.Hα-helixtrans-55-38.2177.3-60.2177.6-174.600112.7P252 K258P252-E254 VanDerWaalsContact C-N 3.27Å; P252-E254 PolarHBondContact O-N 2.92Å; E254-K258 WeakPolarHBondContact O-CG 3.37Å; E254-K258 PolarHBondContact O-N 2.91Å; E254-K258 VanDerWaalsContact O-N 3.13Å
255L92.6Very high82.5Confident2 Ų280.8 Ų80.81%0.0142%0.423CS..Hα-helixtrans-75.9-34.8177.2-56.5-173.6000111.8L251 P252 L253 E257 K258 L259 V275 L276 W279L251-L255 HydrophobicContact CB-CB 4.1Å; L251-L255 HydrophobicContact CB-CD1 4.32Å; L251-L255 HydrophobicContact CD1-CB 4.37Å; P252-L255 WeakPolarHBondContact O-CB 3.23Å; P252-L255 PolarHBondContact O-N 3.12Å; L253-L255 PolarHBondContact O-N 3.08Å; L255-E257 VanDerWaalsContact C-N 3.34Å; L255-K258 PolarHBondContact O-N 3.18Å; L255-L259 VanDerWaalsContact O-CG 3.25Å; L255-L259 WeakPolarHBondContact O-CG 3.33Å; L255-L259 PolarHBondContact O-N 3.13Å; L255-V275 HydrophobicContact CB-CG1 4.32Å; L255-V275 HydrophobicContact CD2-CG1 3.97Å; L255-L276 HydrophobicContact CD1-CD2 4.2Å; L255-W279 HydrophobicContact CD1-CB 4.25Å; L255-W279 HydrophobicContact CD1-CD2 3.53Å; L255-W279 HydrophobicContact CD1-CE3 3.73Å; L255-W279 HydrophobicContact CD1-CG 3.78Å; L255-W279 HydrophobicContact CD1-CZ2 4.44Å; L255-W279 HydrophobicContact CD1-CZ3 4.25Å; L255-W279 HydrophobicContact CD2-CB 3.74Å; L255-W279 HydrophobicContact CD2-CD2 4.33Å; L255-W279 HydrophobicContact CD2-CG 3.67Å; L255-W279 HydrophobicContact CG-CD2 4.41Å; L255-W279 HydrophobicContact CG-CG 4.25Å
256Q90.8Very high82.6Confident72 Ų7284 Ų8434%0.33644%0.439SS..Hα-helixtrans-63-43.7175.5-60.7-174.524.500110.8L251 P252 L253 L259 Q260L251-Q256 HydrophobicContact CB-CG 4.41Å; L251-Q256 PolarHBondContact O-NE2 2.99Å; P252-Q256 PolarHBondContact O-N 3.22Å; L253-Q256 WeakPolarHBondContact O-CA 3.29Å; L253-Q256 WeakPolarHBondContact O-CB 3.32Å; L253-Q256 PolarHBondContact O-N 3.32Å; Q256-L259 WeakPolarHBondContact O-CB 3.22Å; Q256-L259 PolarHBondContact O-N 2.77Å; Q256-L259 VanDerWaalsContact O-N 3.1Å; Q256-Q260 WeakPolarHBondContact O-CG 3.43Å; Q256-Q260 PolarHBondContact O-N 3.24Å; Q256-Q260 VanDerWaalsContact O-N 3.14Å
257E90.7Very high82.9Confident127 Ų12789.3 Ų89.359%0.59346%0.461SS*.Hα-helixtrans-61.5-46.7175.3-68.9175.5176.200111.3L253 L255 L259 Q260 T261L253-E257 WeakPolarHBondContact O-CG 3.4Å; L253-E257 PolarHBondContact O-N 3.29Å; L255-E257 VanDerWaalsContact C-N 3.34Å; E257-L259 PolarHBondContact O-N 2.76Å; E257-L259 VanDerWaalsContact O-N 3.17Å; E257-Q260 PolarHBondContact O-N 3.28Å; E257-T261 PolarHBondContact O-N 3Å
258K89.2Confident83.4Confident75 Ų7593 Ų9333%0.32647%0.466SS..Hα-helixtrans-59.9-23.7173.4-78.3-172.5178.6-171.90113.7E254 L255 T261 R271 V275 E278E254-K258 WeakPolarHBondContact O-CG 3.37Å; E254-K258 PolarHBondContact O-N 2.91Å; E254-K258 VanDerWaalsContact O-N 3.13Å; L255-K258 PolarHBondContact O-N 3.18Å; K258-T261 PolarHBondContact O-OG1 3.35Å; K258-R271 PolarHBondContact O-NE 2.82Å; K258-R271 PolarHBondContact O-NH2 3.19Å; K258-V275 HydrophobicContact CB-CG1 4.14Å; K258-V275 HydrophobicContact CB-CG2 4.37Å; K258-V275 HydrophobicContact CD-CG1 4.46Å; K258-E278 IonicContact NZ-OE1 2.74Å; K258-E278 PolarHBondContact NZ-OE1 3.47Å
259L88.1Confident83.8Confident20 Ų2088.4 Ų88.411%0.10545%0.447CS..Hα-helixtrans-85.2-21175-70.3171.7000113.3L251 L255 Q256 E257 R271 R272 V275L251-L259 HydrophobicContact CD1-CD1 3.91Å; L255-L259 VanDerWaalsContact O-CG 3.25Å; L255-L259 WeakPolarHBondContact O-CG 3.33Å; L255-L259 PolarHBondContact O-N 3.13Å; Q256-L259 WeakPolarHBondContact O-CB 3.22Å; Q256-L259 PolarHBondContact O-N 2.77Å; Q256-L259 VanDerWaalsContact O-N 3.1Å; E257-L259 PolarHBondContact O-N 2.76Å; E257-L259 VanDerWaalsContact O-N 3.17Å; L259-R271 VanDerWaalsContact C-NH2 3.35Å; L259-R271 HydrophobicContact CD2-CG 4.24Å; L259-R271 PolarHBondContact O-NE 3.29Å; L259-R271 PolarHBondContact O-NH1 3.19Å; L259-R271 PolarHBondContact O-NH2 2.97Å; L259-R272 HydrophobicContact CD2-CB 4.21Å; L259-V275 HydrophobicContact CD2-CB 4.17Å; L259-V275 HydrophobicContact CD2-CG1 4.45Å; L259-V275 HydrophobicContact CD2-CG2 3.97Å; L259-V275 HydrophobicContact CG-CG1 4.49Å
260Q85.1Confident83.8Confident139 Ų13989.4 Ų89.465%0.6545%0.451SS*.Hα-helixtrans-87.3-20.6-179-71.9178.512.200114.1Q256 E257 N262Q256-Q260 WeakPolarHBondContact O-CG 3.43Å; Q256-Q260 PolarHBondContact O-N 3.24Å; Q256-Q260 VanDerWaalsContact O-N 3.14Å; E257-Q260 PolarHBondContact O-N 3.28Å; Q260-N262 PolarHBondContact O-N 2.91Å
261T79.9Confident83.6Confident90 Ų9085.1 Ų85.155%0.55244%0.435SS*.  trans-63.498-178.852.70000111.6E257 K258 N263 R271E257-T261 PolarHBondContact O-N 3Å; K258-T261 PolarHBondContact O-OG1 3.35Å; T261-N263 PolarHBondContact O-N 3.39Å; T261-R271 VanDerWaalsContact N-NH2 3.14Å; T261-R271 PolarHBondContact O-NH1 3.25Å; T261-R271 PolarHBondContact O-NH2 2.87Å; T261-R271 PolarHBondContact OG1-NH2 3.02Å
262N62.4Low83.5Confident144 Ų14486.1 Ų86.177%0.7744%0.439SS*.  trans-72.724.5-161.5-102.3-12.9000117.7Q260Q260-N262 PolarHBondContact O-N 2.91Å
263N59.5Low83.3Confident165 Ų16585.2 Ų85.288%0.88243%0.433SS*.  trans-96.713.1-165.9-70.3-7.2000116.2T261T261-N263 PolarHBondContact O-N 3.39Å
264S66Low83.3Confident48 Ų4881.9 Ų81.934%0.33642%0.42SS..  trans-115.3136.6-178.768.60000113.1I266S264-I266 PolarHBondContact O-N 3.39Å
265T75.6Confident83.3Confident155 Ų15576.1 Ų76.195%0.95139%0.394SS*.  trans-68.4-2.8165.748.40000113.6
266I77.6Confident83.3Confident92 Ų9276 Ų7647%0.47239%0.393SS..SBendtrans-75.5140.2-176.1-61.7165000110.6S264 Q270 R271S264-I266 PolarHBondContact O-N 3.39Å; I266-Q270 HydrophobicContact CG2-CB 3.45Å; I266-Q270 VanDerWaalsContact CG2-CB 3.45Å; I266-Q270 HydrophobicContact CG2-CG 4.46Å; I266-R271 HydrophobicContact CG2-CB 4.4Å
267K84Confident83.4Confident128 Ų12872.7 Ų72.756%0.55738%0.378SS*.  trans-62.9145176.8-63169.8-171.4155.40110.8E12 A269 Q270 R271E12-K267 IonicContact OE1-NZ 2.77Å; E12-K267 PolarHBondContact OE1-NZ 3.02Å; K267-A269 VanDerWaalsContact C-N 3.29Å; K267-A269 PolarHBondContact O-N 3.27Å; K267-A269 VanDerWaalsContact O-N 3.14Å; K267-Q270 WeakPolarHBondContact O-CB 3.5Å; K267-Q270 PolarHBondContact O-N 3.5Å; K267-R271 PolarHBondContact O-N 2.87Å
268Y85.4Confident83.5Confident146 Ų14671.3 Ų71.357%0.57337%0.372SS*.Hα-helixtrans-50.6-43.1-178176.3-98.1000114.1Q270 R271 R272Y268-Q270 PolarHBondContact O-N 3.4Å; Y268-R271 PolarHBondContact O-N 2.91Å; Y268-R272 WeakPolarHBondContact O-CB 3.41Å; Y268-R272 PolarHBondContact O-N 3.28Å; Y268-R272 PolarHBondContact OH-NH1 3.42Å
269A84.4Confident83.8Confident42 Ų4268 Ų6835%0.34736%0.357SS..Hα-helixtrans-64-40.8-179.100000112.9I9 K267 R272 L273I9-A269 HydrophobicContact CD1-CB 4.07Å; K267-A269 VanDerWaalsContact C-N 3.29Å; K267-A269 PolarHBondContact O-N 3.27Å; K267-A269 VanDerWaalsContact O-N 3.14Å; A269-R272 PolarHBondContact O-N 3.34Å; A269-L273 PolarHBondContact O-N 2.78Å
270Q87.5Confident84Confident31 Ų3167.3 Ų67.315%0.14535%0.353CS..Hα-helixtrans-65.7-45175.8-71.2176.8-4800111.3I9 E12 I266 K267 Y268 R272 L273 S274I9-Q270 HydrophobicContact CB-CG 4.27Å; I9-Q270 HydrophobicContact CD1-CG 4.21Å; I9-Q270 HydrophobicContact CG1-CG 3.63Å; I9-Q270 HydrophobicContact CG2-CG 3.96Å; E12-Q270 PolarHBondContact OE1-NE2 3.03Å; E12-Q270 PolarHBondContact OE2-NE2 2.93Å; I266-Q270 HydrophobicContact CG2-CB 3.45Å; I266-Q270 VanDerWaalsContact CG2-CB 3.45Å; I266-Q270 HydrophobicContact CG2-CG 4.46Å; K267-Q270 WeakPolarHBondContact O-CB 3.5Å; K267-Q270 PolarHBondContact O-N 3.5Å; Y268-Q270 PolarHBondContact O-N 3.4Å; Q270-R272 VanDerWaalsContact C-N 3.32Å; Q270-R272 PolarHBondContact O-N 3.33Å; Q270-L273 PolarHBondContact O-N 2.82Å; Q270-S274 PolarHBondContact O-N 3.14Å; Q270-S274 PolarHBondContact O-OG 3.4Å
271R87.2Confident84.3Confident31 Ų3164.5 Ų64.512%0.11735%0.349CS..Hα-helixtrans-59.4-45.2175.8-177-176.7175.11636.5111.3K258 L259 T261 I266 K267 Y268 L273 S274 V275K258-R271 PolarHBondContact O-NE 2.82Å; K258-R271 PolarHBondContact O-NH2 3.19Å; L259-R271 VanDerWaalsContact C-NH2 3.35Å; L259-R271 HydrophobicContact CD2-CG 4.24Å; L259-R271 PolarHBondContact O-NE 3.29Å; L259-R271 PolarHBondContact O-NH1 3.19Å; L259-R271 PolarHBondContact O-NH2 2.97Å; T261-R271 VanDerWaalsContact N-NH2 3.14Å; T261-R271 PolarHBondContact O-NH1 3.25Å; T261-R271 PolarHBondContact O-NH2 2.87Å; T261-R271 PolarHBondContact OG1-NH2 3.02Å; I266-R271 HydrophobicContact CG2-CB 4.4Å; K267-R271 PolarHBondContact O-N 2.87Å; Y268-R271 PolarHBondContact O-N 2.91Å; R271-L273 VanDerWaalsContact C-N 3.35Å; R271-L273 PolarHBondContact O-N 3.49Å; R271-S274 PolarHBondContact O-N 2.81Å; R271-V275 HydrophobicContact CG-CG2 4.43Å; R271-V275 WeakPolarHBondContact O-CG2 3.19Å; R271-V275 PolarHBondContact O-N 2.81Å
272R89.7Confident84.9Confident24 Ų2465.8 Ų65.89%0.09135%0.349CS..Hα-helixtrans-58.5-45.7176.5-172.1178.2-18087.5-1.4111.7L240 L259 Y268 A269 Q270 L276L240-R272 PolarHBondContact O-NE 3.24Å; L240-R272 PolarHBondContact O-NH2 3.21Å; L259-R272 HydrophobicContact CD2-CB 4.21Å; Y268-R272 WeakPolarHBondContact O-CB 3.41Å; Y268-R272 PolarHBondContact O-N 3.28Å; Y268-R272 PolarHBondContact OH-NH1 3.42Å; A269-R272 PolarHBondContact O-N 3.34Å; Q270-R272 VanDerWaalsContact C-N 3.32Å; Q270-R272 PolarHBondContact O-N 3.33Å; R272-L276 HydrophobicContact CG-CD1 4.08Å; R272-L276 WeakPolarHBondContact O-CB 3.14Å; R272-L276 VanDerWaalsContact O-CG 3.3Å; R272-L276 WeakPolarHBondContact O-CG 3.48Å; R272-L276 PolarHBondContact O-N 3.04Å
273L90.9Very high86.3Confident0 Ų060.6 Ų60.60%032%0.319CS..Hα-helixtrans-60.5-48.4175.3178.964.2000112L6 I9 I225 L226 L237 L241 A269 Q270 R271 V275 L276 L277L6-L273 HydrophobicContact CD1-CD2 4.32Å; I9-L273 HydrophobicContact CD1-CB 4.34Å; I9-L273 HydrophobicContact CD1-CD2 4.16Å; I9-L273 HydrophobicContact CG2-CD2 3.74Å; I225-L273 HydrophobicContact CG2-CD2 3.85Å; L226-L273 HydrophobicContact CD2-CD1 4.32Å; L237-L273 HydrophobicContact CD1-CD1 4.45Å; L237-L273 HydrophobicContact CD2-CD1 4.27Å; L241-L273 HydrophobicContact CD1-CD1 3.78Å; L241-L273 HydrophobicContact CD2-CB 3.92Å; L241-L273 HydrophobicContact CD2-CD1 3.86Å; L241-L273 HydrophobicContact CG-CD1 4.35Å; A269-L273 PolarHBondContact O-N 2.78Å; Q270-L273 PolarHBondContact O-N 2.82Å; R271-L273 VanDerWaalsContact C-N 3.35Å; R271-L273 PolarHBondContact O-N 3.49Å; L273-V275 PolarHBondContact O-N 2.94Å; L273-L276 PolarHBondContact O-N 3.11Å; L273-L277 HydrophobicContact CD1-CD1 3.89Å; L273-L277 HydrophobicContact CD1-CG 4.02Å; L273-L277 HydrophobicContact CG-CD1 3.84Å; L273-L277 HydrophobicContact CG-CG 4.36Å; L273-L277 WeakPolarHBondContact O-CB 3.45Å; L273-L277 VanDerWaalsContact O-CG 3.31Å; L273-L277 WeakPolarHBondContact O-CG 3.25Å; L273-L277 PolarHBondContact O-N 2.85Å
274S90.1Very high87.8Confident55 Ų5559 Ų5939%0.38531%0.311SS..Hα-helixtrans-60.9-44.9-180-63.60000112.5Q270 R271 L276 L277 E278Q270-S274 PolarHBondContact O-N 3.14Å; Q270-S274 PolarHBondContact O-OG 3.4Å; R271-S274 PolarHBondContact O-N 2.81Å; S274-L276 PolarHBondContact O-N 2.96Å; S274-L277 PolarHBondContact O-N 2.86Å; S274-E278 WeakPolarHBondContact O-CB 3.31Å; S274-E278 PolarHBondContact O-N 2.99Å
275V92.2Very high88.8Confident12 Ų1260.2 Ų60.27%0.07332%0.319CS..Hα-helixtrans-62.2-43177.6169.30000111.2L255 K258 L259 R271 L273 W279L255-V275 HydrophobicContact CB-CG1 4.32Å; L255-V275 HydrophobicContact CD2-CG1 3.97Å; K258-V275 HydrophobicContact CB-CG1 4.14Å; K258-V275 HydrophobicContact CB-CG2 4.37Å; K258-V275 HydrophobicContact CD-CG1 4.46Å; L259-V275 HydrophobicContact CD2-CB 4.17Å; L259-V275 HydrophobicContact CD2-CG1 4.45Å; L259-V275 HydrophobicContact CD2-CG2 3.97Å; L259-V275 HydrophobicContact CG-CG1 4.49Å; R271-V275 HydrophobicContact CG-CG2 4.43Å; R271-V275 WeakPolarHBondContact O-CG2 3.19Å; R271-V275 PolarHBondContact O-N 2.81Å; L273-V275 PolarHBondContact O-N 2.94Å; V275-W279 WeakPolarHBondContact O-CB 3.18Å; V275-W279 PolarHBondContact O-N 2.96Å
276L94Very high89.3Confident0 Ų057.8 Ų57.80%030%0.301CS..Hα-helixtrans-66.1-43.2177.6-72.4170.3000111.9L237 L240 L241 L251 L255 R272 L273 S274 W279 F280L237-L276 HydrophobicContact CD1-CB 3.62Å; L237-L276 HydrophobicContact CD1-CD1 4.06Å; L237-L276 HydrophobicContact CD1-CG 4.44Å; L240-L276 HydrophobicContact CB-CD1 4.02Å; L240-L276 HydrophobicContact CB-CD2 4.27Å; L240-L276 HydrophobicContact CD1-CD2 4.03Å; L241-L276 HydrophobicContact CD2-CD1 3.85Å; L241-L276 HydrophobicContact CG-CD1 4.16Å; L251-L276 HydrophobicContact CD1-CD2 4.07Å; L251-L276 HydrophobicContact CD2-CD2 3.98Å; L255-L276 HydrophobicContact CD1-CD2 4.2Å; R272-L276 HydrophobicContact CG-CD1 4.08Å; R272-L276 WeakPolarHBondContact O-CB 3.14Å; R272-L276 VanDerWaalsContact O-CG 3.3Å; R272-L276 WeakPolarHBondContact O-CG 3.48Å; R272-L276 PolarHBondContact O-N 3.04Å; L273-L276 PolarHBondContact O-N 3.11Å; S274-L276 PolarHBondContact O-N 2.96Å; L276-W279 HydrophobicContact CD2-CE3 4.29Å; L276-W279 WeakPolarHBondContact O-CB 3.39Å; L276-W279 PolarHBondContact O-N 2.82Å; L276-F280 WeakPolarHBondContact O-CD2 3.46Å; L276-F280 PolarHBondContact O-N 3.29Å
277L92.6Very high89.9Confident3 Ų354.8 Ų54.82%0.01629%0.287CS..Hα-helixtrans-65.5-40.7178.3-72174.2000112.4I225 L237 L273 S274 W279 F280 S281I225-L277 HydrophobicContact CB-CD1 4.34Å; I225-L277 HydrophobicContact CD1-CD1 3.87Å; I225-L277 HydrophobicContact CG1-CD1 3.63Å; I225-L277 HydrophobicContact CG2-CD1 4.15Å; I225-L277 WeakPolarHBondContact O-CD1 3.27Å; L237-L277 HydrophobicContact CD2-CD2 3.65Å; L237-L277 HydrophobicContact CD2-CG 4.48Å; L273-L277 HydrophobicContact CD1-CD1 3.89Å; L273-L277 HydrophobicContact CD1-CG 4.02Å; L273-L277 HydrophobicContact CG-CD1 3.84Å; L273-L277 HydrophobicContact CG-CG 4.36Å; L273-L277 WeakPolarHBondContact O-CB 3.45Å; L273-L277 VanDerWaalsContact O-CG 3.31Å; L273-L277 WeakPolarHBondContact O-CG 3.25Å; L273-L277 PolarHBondContact O-N 2.85Å; S274-L277 PolarHBondContact O-N 2.86Å; L277-W279 VanDerWaalsContact C-N 3.31Å; L277-F280 PolarHBondContact O-N 2.81Å; L277-S281 PolarHBondContact O-N 2.75Å; L277-S281 VanDerWaalsContact O-N 3.08Å
278E92.6Very high90.3Very high98 Ų9851.4 Ų51.446%0.45828%0.275SS..Hα-helixtrans-60.7-43.1172.6-174.1-166.8137.600110.8K258 S274 S281K258-E278 IonicContact NZ-OE1 2.74Å; K258-E278 PolarHBondContact NZ-OE1 3.47Å; S274-E278 WeakPolarHBondContact O-CB 3.31Å; S274-E278 PolarHBondContact O-N 2.99Å; E278-S281 PolarHBondContact O-N 2.78Å; E278-S281 PolarHBondContact O-OG 2.99Å
279W94.2Very high90.7Very high6 Ų649.7 Ų49.72%0.02327%0.27CS..Hα-helixtrans-63.8-49.1176.7-179.959.8000112.3L240 P252 L255 V275 L276 L277 S281 Q282 F283 P290 D293 V294L240-W279 HydrophobicContact CD1-CZ3 3.88Å; P252-W279 HydrophobicContact CG-CH2 4.42Å; P252-W279 HydrophobicContact CG-CZ2 4.03Å; L255-W279 HydrophobicContact CD1-CB 4.25Å; L255-W279 HydrophobicContact CD1-CD2 3.53Å; L255-W279 HydrophobicContact CD1-CE3 3.73Å; L255-W279 HydrophobicContact CD1-CG 3.78Å; L255-W279 HydrophobicContact CD1-CZ2 4.44Å; L255-W279 HydrophobicContact CD1-CZ3 4.25Å; L255-W279 HydrophobicContact CD2-CB 3.74Å; L255-W279 HydrophobicContact CD2-CD2 4.33Å; L255-W279 HydrophobicContact CD2-CG 3.67Å; L255-W279 HydrophobicContact CG-CD2 4.41Å; L255-W279 HydrophobicContact CG-CG 4.25Å; V275-W279 WeakPolarHBondContact O-CB 3.18Å; V275-W279 PolarHBondContact O-N 2.96Å; L276-W279 HydrophobicContact CD2-CE3 4.29Å; L276-W279 WeakPolarHBondContact O-CB 3.39Å; L276-W279 PolarHBondContact O-N 2.82Å; L277-W279 VanDerWaalsContact C-N 3.31Å; W279-S281 PolarHBondContact O-N 2.78Å; W279-Q282 WeakPolarHBondContact O-CB 3.47Å; W279-Q282 WeakPolarHBondContact O-CG 3.43Å; W279-Q282 PolarHBondContact O-N 3.16Å; W279-Q282 VanDerWaalsContact O-N 3.08Å; W279-F283 AromaticContact CD1-CE2 3.81Å; W279-F283 AromaticContact CD2-CE2 3.97Å; W279-F283 HydrophobicContact CD2-CE2 3.97Å; W279-F283 AromaticContact CE2-CE2 3.65Å; W279-F283 AromaticContact CE2-CZ 3.76Å; W279-F283 HydrophobicContact CG-CE2 4.11Å; W279-F283 HydrophobicContact CZ2-CE2 4.16Å; W279-F283 HydrophobicContact CZ2-CZ 4.02Å; W279-F283 AromaticContact NE1-CE2 3.54Å; W279-F283 AromaticContact NE1-CZ 3.52Å; W279-F283 WeakPolarHBondContact O-CD2 3.36Å; W279-F283 WeakPolarHBondContact O-CE2 3.47Å; W279-P290 HydrophobicContact CH2-CB 3.6Å; W279-P290 WeakPolarHBondContact CH2-O 3.05Å; W279-P290 HydrophobicContact CZ2-CB 4.14Å; W279-P290 HydrophobicContact CZ3-CB 3.95Å; W279-D293 HydrophobicContact CZ2-CB 4.1Å; W279-V294 HydrophobicContact CH2-CG2 3.94Å; W279-V294 HydrophobicContact CZ3-CG2 4.49Å
280F92.7Very high91.1Very high4 Ų447.7 Ų47.72%0.01825%0.254CS..Hα-helixtrans-58.5-31.6176.7-83-67.6000113H233 F236 L237 L240 L276 L277 Q282 F283 P290H233-F280 HydrophobicContact CB-CD1 3.71Å; H233-F280 HydrophobicContact CB-CE1 3.75Å; H233-F280 HydrophobicContact CB-CG 4.41Å; H233-F280 HydrophobicContact CB-CZ 4.49Å; H233-F280 AromaticContact CD2-CE1 3.97Å; H233-F280 AromaticContact CG-CD1 3.64Å; H233-F280 AromaticContact CG-CE1 3.84Å; H233-F280 AromaticContact ND1-CD1 3.89Å; F236-F280 AromaticContact CD1-CE1 3.89Å; F236-F280 HydrophobicContact CD1-CE1 3.89Å; F236-F280 AromaticContact CD1-CZ 3.63Å; F236-F280 HydrophobicContact CD1-CZ 3.63Å; F236-F280 HydrophobicContact CE1-CE1 4.44Å; F236-F280 HydrophobicContact CE1-CZ 4.16Å; L237-F280 HydrophobicContact CB-CD2 4.47Å; L237-F280 HydrophobicContact CB-CE2 3.89Å; L237-F280 HydrophobicContact CB-CZ 4.42Å; L237-F280 HydrophobicContact CD1-CD2 3.92Å; L237-F280 HydrophobicContact CD1-CE2 3.66Å; L237-F280 HydrophobicContact CG-CE2 4.37Å; L240-F280 HydrophobicContact CD1-CE2 3.99Å; L240-F280 HydrophobicContact CD1-CZ 3.77Å; L276-F280 WeakPolarHBondContact O-CD2 3.46Å; L276-F280 PolarHBondContact O-N 3.29Å; L277-F280 PolarHBondContact O-N 2.81Å; F280-Q282 PolarHBondContact O-N 3.44Å; F280-Q282 VanDerWaalsContact O-N 3.14Å; F280-F283 PolarHBondContact O-N 3.15Å; F280-P290 HydrophobicContact CD1-CB 4.27Å; F280-P290 HydrophobicContact CD1-CG 4.19Å; F280-P290 HydrophobicContact CE1-CB 3.73Å; F280-P290 HydrophobicContact CE1-CG 4.1Å
281S91.1Very high91.4Very high81 Ų8146.4 Ų46.457%0.56625%0.248SC*.THydrogen-bonded Turntrans-66-12.1178.576.20000114.7L277 E278 W279 F283L277-S281 PolarHBondContact O-N 2.75Å; L277-S281 VanDerWaalsContact O-N 3.08Å; E278-S281 PolarHBondContact O-N 2.78Å; E278-S281 PolarHBondContact O-OG 2.99Å; W279-S281 PolarHBondContact O-N 2.78Å; S281-F283 VanDerWaalsContact C-N 3.31Å
282Q92.7Very high91.7Very high117 Ų11749 Ų4955%0.54726%0.261SS..THydrogen-bonded Turntrans-82.9-8.3178.1-58.1175.14.400113.2W279 F280W279-Q282 WeakPolarHBondContact O-CB 3.47Å; W279-Q282 WeakPolarHBondContact O-CG 3.43Å; W279-Q282 PolarHBondContact O-N 3.16Å; W279-Q282 VanDerWaalsContact O-N 3.08Å; F280-Q282 PolarHBondContact O-N 3.44Å; F280-Q282 VanDerWaalsContact O-N 3.14Å
283F92.3Very high91.9Very high34 Ų3450.1 Ų50.115%0.14927%0.269CS..SBendtrans-114.9153.4-173.9-54.6-88.7000111.6W279 F280 S281 K289 P290W279-F283 AromaticContact CD1-CE2 3.81Å; W279-F283 AromaticContact CD2-CE2 3.97Å; W279-F283 HydrophobicContact CD2-CE2 3.97Å; W279-F283 AromaticContact CE2-CE2 3.65Å; W279-F283 AromaticContact CE2-CZ 3.76Å; W279-F283 HydrophobicContact CG-CE2 4.11Å; W279-F283 HydrophobicContact CZ2-CE2 4.16Å; W279-F283 HydrophobicContact CZ2-CZ 4.02Å; W279-F283 AromaticContact NE1-CE2 3.54Å; W279-F283 AromaticContact NE1-CZ 3.52Å; W279-F283 WeakPolarHBondContact O-CD2 3.36Å; W279-F283 WeakPolarHBondContact O-CE2 3.47Å; F280-F283 PolarHBondContact O-N 3.15Å; S281-F283 VanDerWaalsContact C-N 3.31Å; F283-K289 HydrophobicContact CD1-CB 4.01Å; F283-K289 HydrophobicContact CD1-CD 4.15Å; F283-K289 HydrophobicContact CD1-CG 4.26Å; F283-K289 HydrophobicContact CE1-CB 3.94Å; F283-K289 HydrophobicContact CE1-CD 3.69Å; F283-K289 HydrophobicContact CE1-CG 3.72Å; F283-P290 HydrophobicContact CB-CG 4.27Å; F283-P290 HydrophobicContact CD1-CG 3.92Å; F283-P290 HydrophobicContact CD2-CG 3.6Å; F283-P290 HydrophobicContact CE1-CG 4.07Å; F283-P290 HydrophobicContact CE2-CG 3.77Å; F283-P290 HydrophobicContact CG-CG 3.67Å; F283-P290 HydrophobicContact CZ-CG 3.99Å
284D91.6Very high92.1Very high132 Ų13250.1 Ų50.171%0.70627%0.269SS*.  trans-60.1152170.8-61.7-42.8000111.4H233 N286 S287H233-D284 PolarHBondContact CE1-O 3.05Å; H233-D284 VanDerWaalsContact CE1-O 3.27Å; D284-N286 PolarHBondContact O-N 3Å; D284-S287 VanDerWaalsContact O-CB 3.29Å; D284-S287 WeakPolarHBondContact O-CB 3.4Å; D284-S287 PolarHBondContact O-N 3.47Å
285S86.4Confident92.2Very high74 Ų7447.9 Ų47.952%0.51725%0.253SS..THydrogen-bonded Turntrans-54.8-26.1-17256.40000115.2S230 F232S230-S285 VanDerWaalsContact CB-O 3.24Å; S230-S285 WeakPolarHBondContact CB-O 3.44Å; S230-S285 PolarHBondContact OG-O 2.93Å; F232-S285 WeakPolarHBondContact CB-O 3.33Å
286N86.1Confident92.3Very high104 Ų10451.8 Ų51.856%0.55627%0.273SS*.THydrogen-bonded Turntrans-117.316.5178.5-63.1-34.8000113.3D284 I288D284-N286 PolarHBondContact O-N 3Å; N286-I288 PolarHBondContact O-N 3.07Å
287S91.4Very high92.3Very high28 Ų2853.4 Ų53.420%0.19629%0.285CS..  trans-66.2133.7-177.4-176.10000111.7H233 D284 K289H233-S287 PolarHBondContact NE2-O 3.25Å; D284-S287 VanDerWaalsContact O-CB 3.29Å; D284-S287 WeakPolarHBondContact O-CB 3.4Å; D284-S287 PolarHBondContact O-N 3.47Å; S287-K289 PolarHBondContact OG-N 3.07Å
288I91.4Very high92.4Very high58 Ų5854.1 Ų54.130%0.29729%0.287SS..  trans-87.9-10.2174.763.5170000112.9F232 N286 P290 L291 E292 I357F232-I288 HydrophobicContact CZ-CG2 4.32Å; N286-I288 PolarHBondContact O-N 3.07Å; I288-P290 VanDerWaalsContact C-CD 3.44Å; I288-L291 WeakPolarHBondContact O-CA 3.2Å; I288-L291 VanDerWaalsContact O-CB 3.27Å; I288-L291 WeakPolarHBondContact O-CB 3.36Å; I288-L291 PolarHBondContact O-N 2.81Å; I288-E292 PolarHBondContact O-N 2.89Å; I288-I357 HydrophobicContact CB-CD1 4.38Å; I288-I357 HydrophobicContact CD1-CD1 4Å; I288-I357 HydrophobicContact CG2-CD1 3.95Å; I288-I357 HydrophobicContact CG2-CG1 3.94Å; I288-I357 HydrophobicContact CG2-CG2 4.37Å
289K93.5Very high92.4Very high109 Ų10952.1 Ų52.147%0.47428%0.283SS..Hα-helixtrans-54.3-40.6-176.5-175.9173.7170.5-172.80114F283 S287 L291 E292 D293F283-K289 HydrophobicContact CD1-CB 4.01Å; F283-K289 HydrophobicContact CD1-CD 4.15Å; F283-K289 HydrophobicContact CD1-CG 4.26Å; F283-K289 HydrophobicContact CE1-CB 3.94Å; F283-K289 HydrophobicContact CE1-CD 3.69Å; F283-K289 HydrophobicContact CE1-CG 3.72Å; S287-K289 PolarHBondContact OG-N 3.07Å; K289-L291 PolarHBondContact O-N 3.45Å; K289-E292 PolarHBondContact O-N 3.37Å; K289-E292 VanDerWaalsContact O-N 3.13Å; K289-D293 VanDerWaalsContact O-CG 3.29Å; K289-D293 PolarHBondContact O-N 3.49Å
290P93.6Very high92.3Very high1 Ų156.6 Ų56.61%0.00631%0.31CS..Hα-helixtrans-57.1-35174.4-26.535.6000113.6F236 W279 F280 F283 I288 V294F236-P290 HydrophobicContact CE1-CB 4.13Å; W279-P290 HydrophobicContact CH2-CB 3.6Å; W279-P290 WeakPolarHBondContact CH2-O 3.05Å; W279-P290 HydrophobicContact CZ2-CB 4.14Å; W279-P290 HydrophobicContact CZ3-CB 3.95Å; F280-P290 HydrophobicContact CD1-CB 4.27Å; F280-P290 HydrophobicContact CD1-CG 4.19Å; F280-P290 HydrophobicContact CE1-CB 3.73Å; F280-P290 HydrophobicContact CE1-CG 4.1Å; F283-P290 HydrophobicContact CB-CG 4.27Å; F283-P290 HydrophobicContact CD1-CG 3.92Å; F283-P290 HydrophobicContact CD2-CG 3.6Å; F283-P290 HydrophobicContact CE1-CG 4.07Å; F283-P290 HydrophobicContact CE2-CG 3.77Å; F283-P290 HydrophobicContact CG-CG 3.67Å; F283-P290 HydrophobicContact CZ-CG 3.99Å; I288-P290 VanDerWaalsContact C-CD 3.44Å; P290-V294 VanDerWaalsContact O-CG2 3.25Å; P290-V294 WeakPolarHBondContact O-CG2 3.48Å; P290-V294 PolarHBondContact O-N 3.38Å
291L92.9Very high92.2Very high3 Ų364 Ų642%0.01635%0.345CS..Hα-helixtrans-69.6-46.1177175.265.1000110.7F236 I288 K289 D293 V294 I295 M310 V353 V356 I357F236-L291 HydrophobicContact CD2-CD1 4.36Å; F236-L291 HydrophobicContact CE1-CB 4.38Å; F236-L291 HydrophobicContact CE2-CD1 3.72Å; F236-L291 HydrophobicContact CZ-CB 4.33Å; F236-L291 HydrophobicContact CZ-CD1 3.9Å; I288-L291 WeakPolarHBondContact O-CA 3.2Å; I288-L291 VanDerWaalsContact O-CB 3.27Å; I288-L291 WeakPolarHBondContact O-CB 3.36Å; I288-L291 PolarHBondContact O-N 2.81Å; K289-L291 PolarHBondContact O-N 3.45Å; L291-D293 PolarHBondContact O-N 2.81Å; L291-V294 PolarHBondContact O-N 2.87Å; L291-I295 HydrophobicContact CD1-CD1 3.85Å; L291-I295 HydrophobicContact CD1-CG1 4.23Å; L291-I295 HydrophobicContact CG-CD1 3.83Å; L291-I295 VanDerWaalsContact O-CG1 3.32Å; L291-I295 WeakPolarHBondContact O-CG1 3.17Å; L291-I295 PolarHBondContact O-N 3.16Å; L291-M310 HydrophobicContact CD1-SD 3.88Å; L291-V353 HydrophobicContact CD2-CG1 3.88Å; L291-V353 HydrophobicContact CG-CG1 4.48Å; L291-V356 HydrophobicContact CD1-CG1 3.81Å; L291-V356 HydrophobicContact CD2-CB 3.84Å; L291-V356 HydrophobicContact CD2-CG1 3.56Å; L291-V356 HydrophobicContact CG-CG1 4.34Å; L291-I357 HydrophobicContact CD2-CG1 4.07Å
292E93.1Very high92.2Very high85 Ų8564.4 Ų64.440%0.39734%0.338SS..Hα-helixtrans-60-45.9177.7-63.9176.4150.900111.5I288 K289 V294 I295 N296I288-E292 PolarHBondContact O-N 2.89Å; K289-E292 PolarHBondContact O-N 3.37Å; K289-E292 VanDerWaalsContact O-N 3.13Å; E292-V294 VanDerWaalsContact C-N 3.29Å; E292-V294 PolarHBondContact O-N 2.78Å; E292-I295 PolarHBondContact O-N 2.8Å; E292-N296 VanDerWaalsContact O-CB 3.31Å; E292-N296 WeakPolarHBondContact O-CB 3.46Å; E292-N296 PolarHBondContact O-N 2.88Å; E292-N296 PolarHBondContact O-ND2 2.83Å; E292-N296 VanDerWaalsContact O-ND2 3.08Å
293D94.7Very high92.1Very high48 Ų4862.3 Ų62.326%0.25733%0.325SS..Hα-helixtrans-57.7-42.3178.5-71-17.7000111.5P252 W279 K289 L291 C297P252-D293 HydrophobicContact CG-CB 3.97Å; W279-D293 HydrophobicContact CZ2-CB 4.1Å; K289-D293 VanDerWaalsContact O-CG 3.29Å; K289-D293 PolarHBondContact O-N 3.49Å; L291-D293 PolarHBondContact O-N 2.81Å; D293-C297 PolarHBondContact O-N 2.87Å; D293-C297 PolarHBondContact O-SG 2.85Å
294V94.5Very high91.9Very high0 Ų064.3 Ų64.30%034%0.34CS..Hα-helixtrans-71.5-42.9178.3174.90000111.5F236 L240 V249 W279 P290 L291 E292 N296 C297 Y298 M310F236-V294 HydrophobicContact CE1-CG2 4.3Å; F236-V294 HydrophobicContact CZ-CB 3.97Å; F236-V294 HydrophobicContact CZ-CG1 4.29Å; F236-V294 HydrophobicContact CZ-CG2 3.85Å; L240-V294 HydrophobicContact CD1-CG2 4.35Å; L240-V294 HydrophobicContact CD2-CG1 4.01Å; L240-V294 HydrophobicContact CD2-CG2 4Å; V249-V294 HydrophobicContact CG1-CG1 3.46Å; V249-V294 VanDerWaalsContact CG1-CG1 3.46Å; W279-V294 HydrophobicContact CH2-CG2 3.94Å; W279-V294 HydrophobicContact CZ3-CG2 4.49Å; P290-V294 VanDerWaalsContact O-CG2 3.25Å; P290-V294 WeakPolarHBondContact O-CG2 3.48Å; P290-V294 PolarHBondContact O-N 3.38Å; L291-V294 PolarHBondContact O-N 2.87Å; E292-V294 VanDerWaalsContact C-N 3.29Å; E292-V294 PolarHBondContact O-N 2.78Å; V294-N296 VanDerWaalsContact C-N 3.26Å; V294-N296 PolarHBondContact O-N 3.39Å; V294-C297 VanDerWaalsContact O-CB 3.27Å; V294-C297 WeakPolarHBondContact O-CB 3.48Å; V294-C297 PolarHBondContact O-N 2.76Å; V294-C297 VanDerWaalsContact O-N 3.13Å; V294-Y298 WeakPolarHBondContact O-CD2 3.46Å; V294-M310 HydrophobicContact CB-CE 4.41Å; V294-M310 HydrophobicContact CG1-CE 3.39Å
295I92.6Very high91.6Very high8 Ų861.3 Ų61.34%0.04133%0.33CS..Hα-helixtrans-61.7-38.3176.9-69.6172.3000110.6L291 E292 C297 Y298 R303 I307 M310 V353L291-I295 HydrophobicContact CD1-CD1 3.85Å; L291-I295 HydrophobicContact CD1-CG1 4.23Å; L291-I295 HydrophobicContact CG-CD1 3.83Å; L291-I295 VanDerWaalsContact O-CG1 3.32Å; L291-I295 WeakPolarHBondContact O-CG1 3.17Å; L291-I295 PolarHBondContact O-N 3.16Å; E292-I295 PolarHBondContact O-N 2.8Å; I295-C297 PolarHBondContact O-N 3.36Å; I295-Y298 PolarHBondContact O-N 3.27Å; I295-Y298 VanDerWaalsContact O-N 3.11Å; I295-R303 HydrophobicContact CG2-CB 4.32Å; I295-R303 HydrophobicContact CG2-CG 3.97Å; I295-I307 HydrophobicContact CD1-CD1 4.19Å; I295-I307 HydrophobicContact CD1-CG1 3.9Å; I295-I307 HydrophobicContact CG1-CG1 4.29Å; I295-M310 HydrophobicContact CG1-SD 4.41Å; I295-V353 HydrophobicContact CD1-CG1 4.14Å; I295-V353 HydrophobicContact CD1-CG2 3.82Å
296N94Very high91.6Very high94 Ų9459.3 Ų59.350%0.50331%0.313SS..Hα-helixtrans-68-14.7178.3-74.5-34.4000113.9E292 V294 Y298 R303E292-N296 VanDerWaalsContact O-CB 3.31Å; E292-N296 WeakPolarHBondContact O-CB 3.46Å; E292-N296 PolarHBondContact O-N 2.88Å; E292-N296 PolarHBondContact O-ND2 2.83Å; E292-N296 VanDerWaalsContact O-ND2 3.08Å; V294-N296 VanDerWaalsContact C-N 3.26Å; V294-N296 PolarHBondContact O-N 3.39Å; N296-Y298 PolarHBondContact O-N 3.36Å; N296-R303 PolarHBondContact OD1-NH1 3.49Å; N296-R303 PolarHBondContact OD1-NH2 3.37Å; N296-R303 VanDerWaalsContact OD1-NH2 3.11Å
297C94.5Very high91.8Very high35 Ų3554.7 Ų54.724%0.23629%0.288CS..THydrogen-bonded Turntrans-70.5-6.6171.1-63.30000113.6R250 D293 V294 I295R250-C297 HydrophobicContact CB-CB 3.93Å; R250-C297 PolarHBondContact NH1-O 2.79Å; D293-C297 PolarHBondContact O-N 2.87Å; D293-C297 PolarHBondContact O-SG 2.85Å; V294-C297 VanDerWaalsContact O-CB 3.27Å; V294-C297 WeakPolarHBondContact O-CB 3.48Å; V294-C297 PolarHBondContact O-N 2.76Å; V294-C297 VanDerWaalsContact O-N 3.13Å; I295-C297 PolarHBondContact O-N 3.36Å
298Y93.6Very high91.4Very high18 Ų1855.5 Ų55.57%0.07129%0.29CS..SBendtrans-114.7142.4-179-66.3-91.6000112.2R250 V294 I295 N296 R303 I306R250-Y298 HydrophobicContact CB-CE1 4.4Å; R250-Y298 HydrophobicContact CB-CE2 3.8Å; R250-Y298 HydrophobicContact CG-CE1 3.93Å; R250-Y298 HydrophobicContact CG-CE2 4.25Å; R250-Y298 PolarHBondContact N-OH 3.03Å; V294-Y298 WeakPolarHBondContact O-CD2 3.46Å; I295-Y298 PolarHBondContact O-N 3.27Å; I295-Y298 VanDerWaalsContact O-N 3.11Å; N296-Y298 PolarHBondContact O-N 3.36Å; Y298-R303 PolarHBondContact O-NE 3.47Å; Y298-R303 VanDerWaalsContact O-NE 3.17Å; Y298-I306 HydrophobicContact CD1-CD1 4.15Å; Y298-I306 HydrophobicContact CD1-CG1 3.69Å; Y298-I306 HydrophobicContact CD2-CG1 4.29Å; Y298-I306 HydrophobicContact CD2-CG2 4.11Å; Y298-I306 HydrophobicContact CE1-CD1 3.61Å; Y298-I306 HydrophobicContact CE1-CG1 3.66Å; Y298-I306 HydrophobicContact CE2-CG1 4.29Å; Y298-I306 HydrophobicContact CE2-CG2 3.88Å; Y298-I306 HydrophobicContact CG-CG1 3.98Å
299P93.4Very high91.1Very high55 Ų5555 Ų5536%0.35729%0.288SS..  trans-55.4149.1169.8-22.333.3000111.6E301 Q302 R303P299-E301 WeakPolarHBondContact CB-OE2 3.27Å; P299-E301 PolarHBondContact O-N 3.17Å; P299-E301 VanDerWaalsContact O-N 3.11Å; P299-Q302 PolarHBondContact O-N 3.46Å; P299-R303 WeakPolarHBondContact O-CG 3.1Å; P299-R303 PolarHBondContact O-N 2.9Å
300V91.7Very high90.7Very high100 Ų10049.9 Ų49.961%0.60627%0.266SS*.Hα-helixtrans-54-37.3-174177.10000111.7Q302 R303V300-Q302 PolarHBondContact O-N 3.3Å; V300-R303 PolarHBondContact O-N 2.99Å
301E91.8Very high90.3Very high161 Ų16150.2 Ų50.275%0.75227%0.268SS*.Hα-helixtrans-67.2-24.9-178.5-47.977.1-164.900112.7P299P299-E301 WeakPolarHBondContact CB-OE2 3.27Å; P299-E301 PolarHBondContact O-N 3.17Å; P299-E301 VanDerWaalsContact O-N 3.11Å
302Q90Very high89.7Confident89 Ų8950.4 Ų50.442%0.41627%0.269SS..Hα-helixtrans-95.9-14.9-178.7-63.9-178.38.700113P299 V300 T304 S305 I306P299-Q302 PolarHBondContact O-N 3.46Å; V300-Q302 PolarHBondContact O-N 3.3Å; Q302-T304 PolarHBondContact O-N 3.16Å; Q302-S305 PolarHBondContact O-N 3.25Å; Q302-S305 VanDerWaalsContact O-N 3.16Å; Q302-I306 PolarHBondContact O-N 3.38Å; Q302-I306 VanDerWaalsContact O-N 3.11Å
303R90.6Very high89.2Confident72 Ų7246.4 Ų46.427%0.27225%0.25SC..Hα-helixtrans-58.2-46.9-171.9-70.6179.7-175.8-166.3-6.9112.3I295 N296 Y298 P299 V300 S305 I306 I307I295-R303 HydrophobicContact CG2-CB 4.32Å; I295-R303 HydrophobicContact CG2-CG 3.97Å; N296-R303 PolarHBondContact OD1-NH1 3.49Å; N296-R303 PolarHBondContact OD1-NH2 3.37Å; N296-R303 VanDerWaalsContact OD1-NH2 3.11Å; Y298-R303 PolarHBondContact O-NE 3.47Å; Y298-R303 VanDerWaalsContact O-NE 3.17Å; P299-R303 WeakPolarHBondContact O-CG 3.1Å; P299-R303 PolarHBondContact O-N 2.9Å; V300-R303 PolarHBondContact O-N 2.99Å; R303-S305 VanDerWaalsContact C-N 3.31Å; R303-S305 PolarHBondContact O-N 3.33Å; R303-I306 PolarHBondContact O-N 2.88Å; R303-I307 HydrophobicContact CB-CD1 4.45Å; R303-I307 WeakPolarHBondContact O-CB 3Å; R303-I307 WeakPolarHBondContact O-CD1 3.26Å; R303-I307 WeakPolarHBondContact O-CG1 3.12Å; R303-I307 PolarHBondContact O-N 2.94Å
304T87.9Confident88.8Confident76 Ų7644.1 Ų44.147%0.46624%0.237SC..Hα-helixtrans-60.3-38.9179.3-53.40000112.4Q302 N308Q302-T304 PolarHBondContact O-N 3.16Å; T304-N308 WeakPolarHBondContact O-CB 3.39Å; T304-N308 VanDerWaalsContact O-CG 3.31Å; T304-N308 PolarHBondContact O-N 2.92Å; T304-N308 PolarHBondContact O-ND2 3.24Å
305S85.3Confident88.1Confident70 Ų7044.1 Ų44.149%0.4924%0.237SC..Hα-helixtrans-65.1-47.3177.1-172.20000111.3Q302 R303 N308 D309Q302-S305 PolarHBondContact O-N 3.25Å; Q302-S305 VanDerWaalsContact O-N 3.16Å; R303-S305 VanDerWaalsContact C-N 3.31Å; R303-S305 PolarHBondContact O-N 3.33Å; S305-N308 PolarHBondContact O-N 3.46Å; S305-D309 PolarHBondContact O-N 3.16Å
306I87.6Confident87.6Confident31 Ų3143.8 Ų43.816%0.15924%0.236CC..Hα-helixtrans-67.1-39.2-179.3-66.1-62000111.5Y298 Q302 R303 N308 D309 M310Y298-I306 HydrophobicContact CD1-CD1 4.15Å; Y298-I306 HydrophobicContact CD1-CG1 3.69Å; Y298-I306 HydrophobicContact CD2-CG1 4.29Å; Y298-I306 HydrophobicContact CD2-CG2 4.11Å; Y298-I306 HydrophobicContact CE1-CD1 3.61Å; Y298-I306 HydrophobicContact CE1-CG1 3.66Å; Y298-I306 HydrophobicContact CE2-CG1 4.29Å; Y298-I306 HydrophobicContact CE2-CG2 3.88Å; Y298-I306 HydrophobicContact CG-CG1 3.98Å; Q302-I306 PolarHBondContact O-N 3.38Å; Q302-I306 VanDerWaalsContact O-N 3.11Å; R303-I306 PolarHBondContact O-N 2.88Å; I306-N308 VanDerWaalsContact C-N 3.35Å; I306-D309 PolarHBondContact O-N 3.21Å; I306-M310 HydrophobicContact CG2-CE 3.52Å; I306-M310 HydrophobicContact CG2-CG 4.43Å; I306-M310 HydrophobicContact CG2-SD 4.25Å; I306-M310 WeakPolarHBondContact O-CG 3.2Å; I306-M310 PolarHBondContact O-N 3.46Å
307I88.6Confident87.2Confident7 Ų739.4 Ų39.44%0.03621%0.212CC..Hα-helixtrans-58-49.5172.8-73.7166.1000109.8I295 R303 D309 M310 I311 G351 S352 V353 V356I295-I307 HydrophobicContact CD1-CD1 4.19Å; I295-I307 HydrophobicContact CD1-CG1 3.9Å; I295-I307 HydrophobicContact CG1-CG1 4.29Å; R303-I307 HydrophobicContact CB-CD1 4.45Å; R303-I307 WeakPolarHBondContact O-CB 3Å; R303-I307 WeakPolarHBondContact O-CD1 3.26Å; R303-I307 WeakPolarHBondContact O-CG1 3.12Å; R303-I307 PolarHBondContact O-N 2.94Å; I307-D309 PolarHBondContact O-N 3.06Å; I307-M310 PolarHBondContact O-N 2.98Å; I307-M310 VanDerWaalsContact O-N 3.15Å; I307-I311 HydrophobicContact CG2-CD1 3.72Å; I307-I311 HydrophobicContact CG2-CG1 4.27Å; I307-I311 WeakPolarHBondContact O-CB 3.38Å; I307-I311 VanDerWaalsContact O-CG1 3.22Å; I307-I311 WeakPolarHBondContact O-CG1 3.39Å; I307-I311 PolarHBondContact O-N 3.22Å; I307-G351 WeakPolarHBondContact CG2-O 3.21Å; I307-S352 WeakPolarHBondContact CG2-O 3.39Å; I307-V353 HydrophobicContact CD1-CG2 3.99Å; I307-V356 HydrophobicContact CG2-CG2 3.77Å
308N84.5Confident86.5Confident46 Ų4637.8 Ų37.825%0.24620%0.201CC..Hα-helixtrans-61.2-32.1177.7-79.6-43000113.5R85 T304 S305 I306 H312R85-N308 PolarHBondContact NH1-O 3.31Å; T304-N308 WeakPolarHBondContact O-CB 3.39Å; T304-N308 VanDerWaalsContact O-CG 3.31Å; T304-N308 PolarHBondContact O-N 2.92Å; T304-N308 PolarHBondContact O-ND2 3.24Å; S305-N308 PolarHBondContact O-N 3.46Å; I306-N308 VanDerWaalsContact C-N 3.35Å; N308-H312 PolarHBondContact O-N 3.12Å
309D83.8Confident85.8Confident48 Ų4837.4 Ų37.426%0.25720%0.201SC..Hα-helixtrans-69.6-51.3172-75.4-23.5000110.8R85 I246 S305 I306 I307 I311 H312 G313R85-D309 IonicContact CZ-OD1 2.9Å; R85-D309 IonicContact NH1-OD1 3.41Å; R85-D309 PolarHBondContact NH1-OD1 2.95Å; I246-D309 HydrophobicContact CD1-CB 3.98Å; I246-D309 WeakPolarHBondContact CD1-O 3.44Å; I246-D309 HydrophobicContact CG1-CB 4.11Å; S305-D309 PolarHBondContact O-N 3.16Å; I306-D309 PolarHBondContact O-N 3.21Å; I307-D309 PolarHBondContact O-N 3.06Å; D309-I311 VanDerWaalsContact C-N 3.31Å; D309-I311 PolarHBondContact O-N 2.86Å; D309-H312 CarbonylContact O-C 3.55Å; D309-H312 WeakPolarHBondContact O-CA 3.35Å; D309-H312 WeakPolarHBondContact O-CB 3.27Å; D309-H312 PolarHBondContact O-N 3.42Å; D309-G313 PolarHBondContact O-N 2.92Å
310M86.5Confident85.2Confident1 Ų135 Ų351%0.00519%0.186CC..Hα-helixtrans-54.7-45.6177.1-72176.2-178.100112.4F236 V239 V249 L291 V294 I295 I306 I307 H312 G313 I314F236-M310 HydrophobicContact CE2-CE 4.32Å; F236-M310 HydrophobicContact CE2-SD 4.05Å; V239-M310 HydrophobicContact CG1-CG 4.21Å; V249-M310 HydrophobicContact CG1-CE 3.89Å; L291-M310 HydrophobicContact CD1-SD 3.88Å; V294-M310 HydrophobicContact CB-CE 4.41Å; V294-M310 HydrophobicContact CG1-CE 3.39Å; I295-M310 HydrophobicContact CG1-SD 4.41Å; I306-M310 HydrophobicContact CG2-CE 3.52Å; I306-M310 HydrophobicContact CG2-CG 4.43Å; I306-M310 HydrophobicContact CG2-SD 4.25Å; I306-M310 WeakPolarHBondContact O-CG 3.2Å; I306-M310 PolarHBondContact O-N 3.46Å; I307-M310 PolarHBondContact O-N 2.98Å; I307-M310 VanDerWaalsContact O-N 3.15Å; M310-H312 VanDerWaalsContact C-N 3.27Å; M310-H312 PolarHBondContact O-N 3.35Å; M310-G313 PolarHBondContact O-N 2.99Å; M310-G313 VanDerWaalsContact O-N 3.13Å; M310-I314 WeakPolarHBondContact O-CB 3.37Å; M310-I314 WeakPolarHBondContact O-CD1 3.5Å; M310-I314 VanDerWaalsContact O-CG1 3.3Å; M310-I314 WeakPolarHBondContact O-CG1 3.5Å; M310-I314 PolarHBondContact O-N 2.88Å
311I83.8Confident84.5Confident7 Ų730.6 Ų30.64%0.03616%0.158CC..Hα-helixtrans-53-47.6174.9-73.1172.2000110.6I307 D309 I314 S315 D355 V356 L368I307-I311 HydrophobicContact CG2-CD1 3.72Å; I307-I311 HydrophobicContact CG2-CG1 4.27Å; I307-I311 WeakPolarHBondContact O-CB 3.38Å; I307-I311 VanDerWaalsContact O-CG1 3.22Å; I307-I311 WeakPolarHBondContact O-CG1 3.39Å; I307-I311 PolarHBondContact O-N 3.22Å; D309-I311 VanDerWaalsContact C-N 3.31Å; D309-I311 PolarHBondContact O-N 2.86Å; I311-I314 PolarHBondContact O-N 3.4Å; I311-S315 WeakPolarHBondContact O-CB 3.01Å; I311-S315 PolarHBondContact O-N 2.91Å; I311-D355 HydrophobicContact CD1-CB 3.61Å; I311-D355 HydrophobicContact CG1-CB 4.44Å; I311-V356 HydrophobicContact CD1-CG2 4.17Å; I311-V356 HydrophobicContact CG1-CB 4.48Å; I311-V356 HydrophobicContact CG1-CG2 3.58Å; I311-L368 HydrophobicContact CG2-CD1 3.89Å; I311-L368 HydrophobicContact CG2-CD2 3.08Å; I311-L368 HydrophobicContact CG2-CG 3.96Å
312H80.7Confident83.9Confident8 Ų827.4 Ų27.44%0.03714%0.144CC..Hα-helixtrans-69.1-36.8178.7-179.382.8000112.8V245 N308 D309 M310 S315 H370V245-H312 VanDerWaalsContact CG1-CD2 3.45Å; V245-H312 WeakPolarHBondContact CG1-CD2 3.42Å; N308-H312 PolarHBondContact O-N 3.12Å; D309-H312 CarbonylContact O-C 3.55Å; D309-H312 WeakPolarHBondContact O-CA 3.35Å; D309-H312 WeakPolarHBondContact O-CB 3.27Å; D309-H312 PolarHBondContact O-N 3.42Å; M310-H312 VanDerWaalsContact C-N 3.27Å; M310-H312 PolarHBondContact O-N 3.35Å; H312-S315 PolarHBondContact O-OG 3.26Å; H312-H370 AromaticContact CE1-CE1 3.7Å; H312-H370 AromaticContact CE1-NE2 3.83Å
313G83.8Confident83.7Confident0 Ų024 Ų240%013%0.128CC..Hα-helixtrans-64.6-42.1174.300000112.4D309 M310 F317D309-G313 PolarHBondContact O-N 2.92Å; M310-G313 PolarHBondContact O-N 2.99Å; M310-G313 VanDerWaalsContact O-N 3.13Å; G313-F317 WeakPolarHBondContact O-CD2 3.32Å; G313-F317 WeakPolarHBondContact O-CE2 3.14Å
314I85.7Confident83.5Confident0 Ų020.6 Ų20.60%012%0.115CC..Hα-helixtrans-70-35.9178.7-70.7161.5000111.1P235 F236 V239 M310 I311 R316 F317 V318 V356 L360P235-I314 HydrophobicContact CB-CG1 4.39Å; P235-I314 HydrophobicContact CB-CG2 4.11Å; F236-I314 HydrophobicContact CD2-CD1 4.46Å; V239-I314 HydrophobicContact CG2-CG1 4.02Å; M310-I314 WeakPolarHBondContact O-CB 3.37Å; M310-I314 WeakPolarHBondContact O-CD1 3.5Å; M310-I314 VanDerWaalsContact O-CG1 3.3Å; M310-I314 WeakPolarHBondContact O-CG1 3.5Å; M310-I314 PolarHBondContact O-N 2.88Å; I311-I314 PolarHBondContact O-N 3.4Å; I314-R316 PolarHBondContact O-N 3.33Å; I314-R316 VanDerWaalsContact O-N 3.11Å; I314-F317 CarbonylContact O-C 3.57Å; I314-F317 VanDerWaalsContact O-C 3.32Å; I314-F317 WeakPolarHBondContact O-CA 3.41Å; I314-F317 PolarHBondContact O-N 3.46Å; I314-V318 HydrophobicContact CG2-CG2 4.23Å; I314-V356 HydrophobicContact CD1-CG1 3.57Å; I314-L360 HydrophobicContact CD1-CD2 3.79Å; I314-L360 HydrophobicContact CD1-CG 4.1Å; I314-L360 HydrophobicContact CG1-CD2 4.1Å; I314-L360 HydrophobicContact CG2-CD2 3.94Å; I314-L360 HydrophobicContact CG2-CG 4.49Å
315S80.4Confident83.3Confident0 Ų018.7 Ų18.70%010%0.1CC..Hα-helixtrans-60-25.9-177.175.50000113.7I311 H312 F317 V318 L368 W369I311-S315 WeakPolarHBondContact O-CB 3.01Å; I311-S315 PolarHBondContact O-N 2.91Å; H312-S315 PolarHBondContact O-OG 3.26Å; S315-F317 PolarHBondContact O-N 3.04Å; S315-F317 VanDerWaalsContact O-N 3.08Å; S315-V318 PolarHBondContact O-N 2.91Å; S315-L368 VanDerWaalsContact CB-CB 3.45Å; S315-W369 WeakPolarHBondContact O-CH2 2.91Å; S315-W369 WeakPolarHBondContact O-CZ3 3.43Å
316R82.1Confident83.4Confident2 Ų219.2 Ų19.21%0.00810%0.097CC..THydrogen-bonded Turntrans-58-22.7170.2-59.4173.468.6124.1-13.5113.3F142 T145 D164 D244 I314F142-R316 HydrophobicContact CD2-CB 4.39Å; F142-R316 HydrophobicContact CD2-CG 4.05Å; F142-R316 HydrophobicContact CE2-CG 3.77Å; F142-R316 HydrophobicContact CZ-CG 4.04Å; T145-R316 PolarHBondContact OG1-O 3.41Å; D164-R316 IonicContact OD1-NH2 2.6Å; D164-R316 IonicContact OD2-CZ 2.96Å; D164-R316 IonicContact OD2-NE 3.55Å; D164-R316 PolarHBondContact OD2-NE 3.29Å; D164-R316 IonicContact OD2-NH2 2.7Å; D164-R316 PolarHBondContact OD2-NH2 2.91Å; D244-R316 IonicContact OD1-CZ 2.84Å; D244-R316 IonicContact OD1-NH1 3.92Å; D244-R316 PolarHBondContact OD1-NH1 2.99Å; D244-R316 IonicContact OD1-NH2 3.95Å; D244-R316 IonicContact OD2-NH1 2.92Å; D244-R316 IonicContact OD2-NH2 2.84Å; I314-R316 PolarHBondContact O-N 3.33Å; I314-R316 VanDerWaalsContact O-N 3.11Å
317F84.4Confident83.5Confident1 Ų117.7 Ų17.70%0.0049%0.09CC..THydrogen-bonded Turntrans-116.944.9176.9-36.8-87.6000109.5V3 D164 I167 L168 R172 P235 A238 G313 I314 S315V3-F317 HydrophobicContact CG2-CZ 4.04Å; D164-F317 HydrophobicContact CB-CE1 3.83Å; I167-F317 HydrophobicContact CB-CD1 3.81Å; I167-F317 HydrophobicContact CB-CE1 3.65Å; I167-F317 HydrophobicContact CG1-CE1 4.04Å; I167-F317 HydrophobicContact CG2-CD1 3.55Å; I167-F317 HydrophobicContact CG2-CE1 3.75Å; I167-F317 HydrophobicContact CG2-CG 4.08Å; I167-F317 HydrophobicContact CG2-CZ 4.41Å; L168-F317 HydrophobicContact CD2-CB 4.11Å; L168-F317 HydrophobicContact CD2-CD1 4.14Å; L168-F317 HydrophobicContact CG-CD1 4.09Å; R172-F317 VanDerWaalsContact NH1-C 3.32Å; R172-F317 PolarHBondContact NH1-O 2.94Å; R172-F317 PolarHBondContact NH2-O 2.9Å; P235-F317 HydrophobicContact CB-CB 4.07Å; P235-F317 HydrophobicContact CB-CD2 4.12Å; P235-F317 HydrophobicContact CB-CG 4.37Å; P235-F317 HydrophobicContact CG-CB 4.2Å; A238-F317 HydrophobicContact CB-CD2 4.48Å; A238-F317 HydrophobicContact CB-CE1 4.31Å; A238-F317 HydrophobicContact CB-CE2 3.6Å; A238-F317 HydrophobicContact CB-CZ 3.5Å; A238-F317 VanDerWaalsContact CB-CZ 3.5Å; G313-F317 WeakPolarHBondContact O-CD2 3.32Å; G313-F317 WeakPolarHBondContact O-CE2 3.14Å; I314-F317 CarbonylContact O-C 3.57Å; I314-F317 VanDerWaalsContact O-C 3.32Å; I314-F317 WeakPolarHBondContact O-CA 3.41Å; I314-F317 PolarHBondContact O-N 3.46Å; S315-F317 PolarHBondContact O-N 3.04Å; S315-F317 VanDerWaalsContact O-N 3.08Å
318V80.1Confident83.5Confident1 Ų117.6 Ų17.61%0.0069%0.089CC..SBendtrans-131.2137.8168.2178.30000107.9T145 I314 S315 P320 S359 V365 W369T145-V318 WeakPolarHBondContact CG2-O 3.13Å; I314-V318 HydrophobicContact CG2-CG2 4.23Å; S315-V318 PolarHBondContact O-N 2.91Å; V318-P320 VanDerWaalsContact O-CD 3.26Å; V318-P320 WeakPolarHBondContact O-CD 3.36Å; V318-S359 WeakPolarHBondContact CG2-O 3.49Å; V318-V365 HydrophobicContact CG1-CG1 4.41Å; V318-V365 HydrophobicContact CG1-CG2 4.26Å; V318-W369 HydrophobicContact CB-CH2 4.26Å; V318-W369 HydrophobicContact CB-CZ2 4.22Å; V318-W369 HydrophobicContact CG1-CZ2 4.35Å; V318-W369 WeakPolarHBondContact O-CH2 3.34Å
319C79.9Confident83.7Confident11 Ų1119.2 Ų19.27%0.07410%0.104CC..  trans-66.8120.1-179.2-176.90000110.4A149 I175 L176 L321 V365A149-C319 VanDerWaalsContact CB-SG 3.55Å; I175-C319 HydrophobicContact CG2-CB 4.25Å; L176-C319 HydrophobicContact CD1-CB 4.23Å; C319-L321 VanDerWaalsContact C-N 3.28Å; C319-L321 PolarHBondContact O-N 2.81Å; C319-V365 WeakPolarHBondContact O-CG1 3.5Å
320P79.4Confident84Confident5 Ų522.1 Ų22.13%0.03212%0.119CC..  trans-78.178.8176.233.6-35.4000110.1V146 V318 E322 E323 T324 W369V146-P320 HydrophobicContact CG2-CG 3.6Å; V318-P320 VanDerWaalsContact O-CD 3.26Å; V318-P320 WeakPolarHBondContact O-CD 3.36Å; P320-E322 PolarHBondContact O-N 3.23Å; P320-E323 HydrophobicContact CB-CB 4.31Å; P320-E323 PolarHBondContact O-N 3.48Å; P320-E323 VanDerWaalsContact O-N 3.15Å; P320-T324 PolarHBondContact O-N 3.35Å; P320-T324 PolarHBondContact O-OG1 3.46Å; P320-W369 HydrophobicContact CB-CD2 4.28Å; P320-W369 HydrophobicContact CB-CE3 4.26Å; P320-W369 HydrophobicContact CB-CH2 3.87Å; P320-W369 HydrophobicContact CB-CZ2 3.85Å; P320-W369 HydrophobicContact CB-CZ3 4.05Å; P320-W369 HydrophobicContact CG-CH2 4.44Å
321L77.6Confident84.1Confident6 Ų622.5 Ų22.53%0.03112%0.121CC..Hα-helixtrans-51.5-51.8-164.9-17959000114.7L179 C319 E323 T324 K325 F337 I343L179-L321 HydrophobicContact CD1-CD1 3.56Å; L179-L321 HydrophobicContact CD1-CD2 3.78Å; L179-L321 HydrophobicContact CD1-CG 4.22Å; L179-L321 HydrophobicContact CD2-CD1 4.25Å; L179-L321 HydrophobicContact CD2-CD2 3.5Å; L179-L321 VanDerWaalsContact CD2-CD2 3.5Å; L179-L321 HydrophobicContact CG-CD1 4.4Å; L179-L321 HydrophobicContact CG-CD2 4.29Å; C319-L321 VanDerWaalsContact C-N 3.28Å; C319-L321 PolarHBondContact O-N 2.81Å; L321-E323 VanDerWaalsContact C-N 3.34Å; L321-E323 PolarHBondContact O-N 2.93Å; L321-T324 PolarHBondContact O-N 3.31Å; L321-T324 VanDerWaalsContact O-N 3.16Å; L321-K325 HydrophobicContact CD1-CD 4.32Å; L321-K325 HydrophobicContact CD1-CG 4.12Å; L321-K325 HydrophobicContact CG-CD 4.14Å; L321-K325 HydrophobicContact CG-CG 4.38Å; L321-K325 WeakPolarHBondContact O-CG 3.45Å; L321-K325 PolarHBondContact O-N 3.24Å; L321-F337 HydrophobicContact CD1-CD1 4.26Å; L321-F337 HydrophobicContact CD1-CE1 3.86Å; L321-I343 HydrophobicContact CD2-CD1 3.39Å; L321-I343 HydrophobicContact CD2-CG1 4.2Å
322E79.7Confident84Confident95 Ų9522.9 Ų22.944%0.44412%0.124SC..Hα-helixtrans-65-39.1-175.9-66.5-53.8125.500112P320 K325 N326P320-E322 PolarHBondContact O-N 3.23Å; E322-K325 PolarHBondContact O-N 3.25Å; E322-K325 IonicContact OE1-NZ 2.74Å; E322-K325 PolarHBondContact OE1-NZ 3.41Å; E322-N326 WeakPolarHBondContact O-CB 3.16Å; E322-N326 PolarHBondContact O-N 3.19Å; E322-N326 PolarHBondContact O-ND2 3.38Å
323E85Confident83.7Confident16 Ų1631 Ų318%0.07517%0.168CC..Hα-helixtrans-67.3-40.9173.2178.168172.500111V139 K140 V146 P320 L321 N326 V327 R386V139-E323 WeakPolarHBondContact CA-OE1 3.02Å; K140-E323 PolarHBondContact N-OE1 3.03Å; V146-E323 HydrophobicContact CG2-CG 4.43Å; P320-E323 HydrophobicContact CB-CB 4.31Å; P320-E323 PolarHBondContact O-N 3.48Å; P320-E323 VanDerWaalsContact O-N 3.15Å; L321-E323 VanDerWaalsContact C-N 3.34Å; L321-E323 PolarHBondContact O-N 2.93Å; E323-N326 PolarHBondContact O-N 3.25Å; E323-V327 HydrophobicContact CG-CG2 4.27Å; E323-V327 VanDerWaalsContact O-CB 3.32Å; E323-V327 WeakPolarHBondContact O-CB 3.48Å; E323-V327 WeakPolarHBondContact O-CG2 3.46Å; E323-V327 PolarHBondContact O-N 3.06Å; E323-R386 IonicContact OE1-CZ 3.07Å; E323-R386 IonicContact OE1-NH1 3.54Å; E323-R386 PolarHBondContact OE1-NH1 3.03Å; E323-R386 IonicContact OE1-NH2 2.91Å; E323-R386 PolarHBondContact OE1-NH2 2.91Å; E323-R386 IonicContact OE2-CZ 2.67Å; E323-R386 IonicContact OE2-NH1 2.6Å; E323-R386 IonicContact OE2-NH2 2.62Å; E323-R386 PolarHBondContact OE2-NH2 3.41Å
324T86.3Confident83.1Confident1 Ų136.5 Ų36.51%0.00619%0.194CC..Hα-helixtrans-62-43.3176-59.60000111.4A149 I150 I153 P320 L321 V327 M328 F337A149-T324 HydrophobicContact CB-CG2 3.76Å; I150-T324 HydrophobicContact CG1-CG2 4.38Å; I153-T324 HydrophobicContact CD1-CG2 3.75Å; P320-T324 PolarHBondContact O-N 3.35Å; P320-T324 PolarHBondContact O-OG1 3.46Å; L321-T324 PolarHBondContact O-N 3.31Å; L321-T324 VanDerWaalsContact O-N 3.16Å; T324-V327 PolarHBondContact O-N 3.43Å; T324-M328 HydrophobicContact CG2-CG 4.39Å; T324-M328 WeakPolarHBondContact O-CB 3.28Å; T324-M328 VanDerWaalsContact O-CG 3.27Å; T324-M328 WeakPolarHBondContact O-CG 3.44Å; T324-M328 PolarHBondContact O-N 3.02Å; T324-F337 HydrophobicContact CG2-CZ 4.21Å
325K84.7Confident82.4Confident37 Ų3742.2 Ų42.216%0.16123%0.233CC..Hα-helixtrans-57.8-52.6174.3-76.3174.8178.6171.70111.4L321 E322 V327 M328 S329 F337 S341L321-K325 HydrophobicContact CD1-CD 4.32Å; L321-K325 HydrophobicContact CD1-CG 4.12Å; L321-K325 HydrophobicContact CG-CD 4.14Å; L321-K325 HydrophobicContact CG-CG 4.38Å; L321-K325 WeakPolarHBondContact O-CG 3.45Å; L321-K325 PolarHBondContact O-N 3.24Å; E322-K325 PolarHBondContact O-N 3.25Å; E322-K325 IonicContact OE1-NZ 2.74Å; E322-K325 PolarHBondContact OE1-NZ 3.41Å; K325-V327 VanDerWaalsContact C-N 3.29Å; K325-V327 PolarHBondContact O-N 3.07Å; K325-M328 PolarHBondContact O-N 3.28Å; K325-S329 PolarHBondContact O-N 2.64Å; K325-S329 PolarHBondContact O-OG 3.33Å; K325-F337 HydrophobicContact CB-CD2 4.4Å; K325-F337 HydrophobicContact CB-CE2 4.16Å; K325-F337 HydrophobicContact CB-CZ 4.26Å; K325-F337 HydrophobicContact CD-CD1 4.37Å; K325-F337 HydrophobicContact CD-CG 4.44Å; K325-F337 HydrophobicContact CG-CD1 3.63Å; K325-F337 HydrophobicContact CG-CD2 3.81Å; K325-F337 HydrophobicContact CG-CE1 3.59Å; K325-F337 HydrophobicContact CG-CE2 3.79Å; K325-F337 HydrophobicContact CG-CG 3.73Å; K325-F337 HydrophobicContact CG-CZ 3.66Å; K325-S341 PolarHBondContact NZ-OG 3.25Å
326N85.8Confident82Confident80 Ų8043.2 Ų43.243%0.42824%0.237SC..Hα-helixtrans-60.9-37.7179.7-71.3-28.7000112.7E322 E323 S329 L330E322-N326 WeakPolarHBondContact O-CB 3.16Å; E322-N326 PolarHBondContact O-N 3.19Å; E322-N326 PolarHBondContact O-ND2 3.38Å; E323-N326 PolarHBondContact O-N 3.25Å; N326-S329 PolarHBondContact O-OG 2.78Å; N326-L330 WeakPolarHBondContact O-CD1 3.1Å; N326-L330 VanDerWaalsContact O-CG 3.26Å; N326-L330 WeakPolarHBondContact O-CG 3.36Å; N326-L330 PolarHBondContact O-N 2.9Å
327V90.5Very high81.4Confident0 Ų045 Ų450%025%0.245CC..Hα-helixtrans-71.4-42.7177.8168.90000110.6I137 V139 I150 E323 T324 K325 S329 L330 L331I137-V327 HydrophobicContact CD1-CB 4.44Å; I137-V327 HydrophobicContact CD1-CG1 4.2Å; I137-V327 HydrophobicContact CD1-CG2 4.21Å; I137-V327 HydrophobicContact CG2-CG1 3.76Å; V139-V327 HydrophobicContact CG1-CG1 4.48Å; V139-V327 HydrophobicContact CG1-CG2 3.8Å; I150-V327 HydrophobicContact CD1-CB 4.47Å; I150-V327 HydrophobicContact CD1-CG1 3.48Å; I150-V327 VanDerWaalsContact CD1-CG1 3.48Å; E323-V327 HydrophobicContact CG-CG2 4.27Å; E323-V327 VanDerWaalsContact O-CB 3.32Å; E323-V327 WeakPolarHBondContact O-CB 3.48Å; E323-V327 WeakPolarHBondContact O-CG2 3.46Å; E323-V327 PolarHBondContact O-N 3.06Å; T324-V327 PolarHBondContact O-N 3.43Å; K325-V327 VanDerWaalsContact C-N 3.29Å; K325-V327 PolarHBondContact O-N 3.07Å; V327-S329 PolarHBondContact O-N 2.9Å; V327-L330 PolarHBondContact O-N 3.08Å; V327-L330 VanDerWaalsContact O-N 3.12Å; V327-L331 HydrophobicContact CG1-CD1 3.63Å; V327-L331 HydrophobicContact CG1-CG 4.25Å; V327-L331 VanDerWaalsContact O-CG 3.32Å; V327-L331 WeakPolarHBondContact O-CG 2.9Å; V327-L331 PolarHBondContact O-N 3.33Å; V327-L331 VanDerWaalsContact O-N 3.07Å
328M89.6Confident80.4Confident4 Ų447.8 Ų47.82%0.0226%0.26CS..Hα-helixtrans-61.6-42.8176.9-78.1-58.6-5600112.2I150 I153 L154 T324 K325 L330 L331 S332 Y336 F337I150-M328 HydrophobicContact CB-SD 4.21Å; I150-M328 HydrophobicContact CG1-CG 4.4Å; I150-M328 HydrophobicContact CG1-SD 3.9Å; I150-M328 HydrophobicContact CG2-SD 3.77Å; I153-M328 HydrophobicContact CD1-CG 3.94Å; I153-M328 HydrophobicContact CD1-SD 4.39Å; I153-M328 HydrophobicContact CG2-CE 3.7Å; I153-M328 HydrophobicContact CG2-SD 4.31Å; L154-M328 HydrophobicContact CD2-CE 3.9Å; L154-M328 HydrophobicContact CG-CE 4.28Å; T324-M328 HydrophobicContact CG2-CG 4.39Å; T324-M328 WeakPolarHBondContact O-CB 3.28Å; T324-M328 VanDerWaalsContact O-CG 3.27Å; T324-M328 WeakPolarHBondContact O-CG 3.44Å; T324-M328 PolarHBondContact O-N 3.02Å; K325-M328 PolarHBondContact O-N 3.28Å; M328-L330 PolarHBondContact O-N 2.71Å; M328-L331 PolarHBondContact O-N 3.13Å; M328-S332 PolarHBondContact O-N 3.17Å; M328-Y336 HydrophobicContact CE-CD2 3.48Å; M328-Y336 VanDerWaalsContact CE-CD2 3.48Å; M328-Y336 HydrophobicContact CE-CE2 3.45Å; M328-Y336 VanDerWaalsContact CE-CE2 3.45Å; M328-Y336 HydrophobicContact CE-CG 4.34Å; M328-F337 HydrophobicContact CB-CE2 3.78Å; M328-F337 HydrophobicContact CB-CZ 4.38Å; M328-F337 HydrophobicContact CG-CE2 3.98Å; M328-F337 HydrophobicContact CG-CZ 4.12Å
329S88.7Confident79.4Confident80 Ų8056 Ų5656%0.55930%0.304SS*.Hα-helixtrans-64.9-18.4176.463.90000113.7K325 N326 V327K325-S329 PolarHBondContact O-N 2.64Å; K325-S329 PolarHBondContact O-OG 3.33Å; N326-S329 PolarHBondContact O-OG 2.78Å; V327-S329 PolarHBondContact O-N 2.9Å
330L89.5Confident77.9Confident109 Ų10961.3 Ų61.357%0.57134%0.337SS*.Hα-helixtrans-92.9-19174.9-68.8170.1000112.7I137 N326 V327 M328I137-L330 HydrophobicContact CD1-CB 3.7Å; I137-L330 HydrophobicContact CD1-CD1 3.46Å; I137-L330 VanDerWaalsContact CD1-CD1 3.46Å; I137-L330 HydrophobicContact CD1-CG 4.23Å; N326-L330 WeakPolarHBondContact O-CD1 3.1Å; N326-L330 VanDerWaalsContact O-CG 3.26Å; N326-L330 WeakPolarHBondContact O-CG 3.36Å; N326-L330 PolarHBondContact O-N 2.9Å; V327-L330 PolarHBondContact O-N 3.08Å; V327-L330 VanDerWaalsContact O-N 3.12Å; M328-L330 PolarHBondContact O-N 2.71Å
331L88.7Confident76.5Confident10 Ų1062.3 Ų62.35%0.05234%0.343CS..Hα-helixtrans-99.9-26.9-178-70.9176.1000113.1Y73 I75 K135 I137 I150 V327 M328Y73-L331 HydrophobicContact CD1-CB 4.1Å; Y73-L331 HydrophobicContact CD1-CD1 4.08Å; Y73-L331 HydrophobicContact CD1-CD2 4.12Å; Y73-L331 HydrophobicContact CD1-CG 4.33Å; Y73-L331 HydrophobicContact CE1-CB 4.18Å; I75-L331 HydrophobicContact CD1-CD1 4.14Å; K135-L331 HydrophobicContact CB-CD2 3.97Å; K135-L331 WeakPolarHBondContact CD-O 3.37Å; K135-L331 WeakPolarHBondContact CE-O 3.46Å; K135-L331 PolarHBondContact NZ-O 3.1Å; I137-L331 HydrophobicContact CB-CD2 4.31Å; I137-L331 HydrophobicContact CG2-CD1 3.99Å; I137-L331 HydrophobicContact CG2-CD2 3.85Å; I137-L331 HydrophobicContact CG2-CG 4.09Å; I150-L331 HydrophobicContact CD1-CD1 4.09Å; V327-L331 HydrophobicContact CG1-CD1 3.63Å; V327-L331 HydrophobicContact CG1-CG 4.25Å; V327-L331 VanDerWaalsContact O-CG 3.32Å; V327-L331 WeakPolarHBondContact O-CG 2.9Å; V327-L331 PolarHBondContact O-N 3.33Å; V327-L331 VanDerWaalsContact O-N 3.07Å; M328-L331 PolarHBondContact O-N 3.13Å
332S81.4Confident74.9Confident15 Ų1568.7 Ų68.711%0.10538%0.383CS..  trans-140143.6-176.6-166.80000110.9M328 E334M328-S332 PolarHBondContact O-N 3.17Å; S332-E334 VanDerWaalsContact C-N 3.25Å; S332-E334 PolarHBondContact OG-N 3.06Å
333D73.3Confident73.4Confident177 Ų17767 Ų6795%0.94738%0.377SS*.SBendtrans-80.7-10.4170.6-58.2-40.4000111.7
334E72.3Confident71.5Confident117 Ų11775 Ų7555%0.54741%0.411SS..SBendtrans-77.4134.3179.5-66.7179-175.200112.2S332 Y336S332-E334 VanDerWaalsContact C-N 3.25Å; S332-E334 PolarHBondContact OG-N 3.06Å; E334-Y336 HydrophobicContact CB-CD2 4.19Å; E334-Y336 HydrophobicContact CB-CE2 3.62Å; E334-Y336 VanDerWaalsContact O-CD2 3.28Å; E334-Y336 WeakPolarHBondContact O-CD2 3.42Å; E334-Y336 PolarHBondContact O-N 2.89Å; E334-Y336 PolarHBondContact OE2-OH 3.45Å
335S70.9Confident69.6Low119 Ų11979.7 Ų79.783%0.83244%0.444SS*.  trans-83.3106.1172.553.70000111.2
336Y71.1Confident67.5Low21 Ų2182.3 Ų82.38%0.08247%0.472CS..  trans-95.3-15.9179-68.7-84.6000114.7I153 L154 M328 E334I153-Y336 HydrophobicContact CG2-CD1 3.46Å; I153-Y336 VanDerWaalsContact CG2-CD1 3.46Å; I153-Y336 HydrophobicContact CG2-CD2 3.88Å; I153-Y336 HydrophobicContact CG2-CE1 4Å; I153-Y336 HydrophobicContact CG2-CE2 4.34Å; I153-Y336 HydrophobicContact CG2-CG 3.38Å; L154-Y336 HydrophobicContact CD2-CE2 4.31Å; M328-Y336 HydrophobicContact CE-CD2 3.48Å; M328-Y336 VanDerWaalsContact CE-CD2 3.48Å; M328-Y336 HydrophobicContact CE-CE2 3.45Å; M328-Y336 VanDerWaalsContact CE-CE2 3.45Å; M328-Y336 HydrophobicContact CE-CG 4.34Å; E334-Y336 HydrophobicContact CB-CD2 4.19Å; E334-Y336 HydrophobicContact CB-CE2 3.62Å; E334-Y336 VanDerWaalsContact O-CD2 3.28Å; E334-Y336 WeakPolarHBondContact O-CD2 3.42Å; E334-Y336 PolarHBondContact O-N 2.89Å; E334-Y336 PolarHBondContact OE2-OH 3.45Å
337F70.7Confident65.6Low40 Ų4082.9 Ų82.918%0.17547%0.471CS..BIsolated β-bridgetrans-102.7143.4-170.4-62.9-84.8000111.8I153 L321 T324 K325 M328I153-F337 HydrophobicContact CD1-CE1 4.09Å; I153-F337 HydrophobicContact CD1-CE2 4.44Å; I153-F337 HydrophobicContact CD1-CZ 3.6Å; L321-F337 HydrophobicContact CD1-CD1 4.26Å; L321-F337 HydrophobicContact CD1-CE1 3.86Å; T324-F337 HydrophobicContact CG2-CZ 4.21Å; K325-F337 HydrophobicContact CB-CD2 4.4Å; K325-F337 HydrophobicContact CB-CE2 4.16Å; K325-F337 HydrophobicContact CB-CZ 4.26Å; K325-F337 HydrophobicContact CD-CD1 4.37Å; K325-F337 HydrophobicContact CD-CG 4.44Å; K325-F337 HydrophobicContact CG-CD1 3.63Å; K325-F337 HydrophobicContact CG-CD2 3.81Å; K325-F337 HydrophobicContact CG-CE1 3.59Å; K325-F337 HydrophobicContact CG-CE2 3.79Å; K325-F337 HydrophobicContact CG-CG 3.73Å; K325-F337 HydrophobicContact CG-CZ 3.66Å; M328-F337 HydrophobicContact CB-CE2 3.78Å; M328-F337 HydrophobicContact CB-CZ 4.38Å; M328-F337 HydrophobicContact CG-CE2 3.98Å; M328-F337 HydrophobicContact CG-CZ 4.12Å
338N63.5Low63.7Low60 Ų6093.5 Ų93.532%0.32151%0.511SS..  trans-75.1127168.4-66.1-21.1000110.3L179 T340 S341L179-N338 PolarHBondContact O-N 3Å; L179-N338 VanDerWaalsContact O-N 3.14Å; N338-T340 PolarHBondContact O-N 3Å; N338-S341 PolarHBondContact O-OG 3.47Å
339D57.7Low62.3Low173 Ų17395.2 Ų95.293%0.92552%0.524SS*.THydrogen-bonded Turntrans-59.6-18178.7-75.4-23.6000113.8S341D339-S341 VanDerWaalsContact C-N 3.35Å; D339-S341 PolarHBondContact O-N 3.43Å
340T49.1Very low61Low123 Ų12397.6 Ų97.676%0.75553%0.53SS*.THydrogen-bonded Turntrans-81.7-2.7-172.546.70000115.4N338 T342N338-T340 PolarHBondContact O-N 3Å; T340-T342 PolarHBondContact O-N 2.99Å
341S50.3Low60.2Low25 Ų2592.6 Ų92.618%0.17551%0.505CS..  trans-78.979.5-179.757.60000112.8L179 K325 N338 D339 I343L179-S341 VanDerWaalsContact CD2-CB 3.48Å; K325-S341 PolarHBondContact NZ-OG 3.25Å; N338-S341 PolarHBondContact O-OG 3.47Å; D339-S341 VanDerWaalsContact C-N 3.35Å; D339-S341 PolarHBondContact O-N 3.43Å; S341-I343 VanDerWaalsContact C-N 3.33Å; S341-I343 PolarHBondContact O-N 3Å
342T43.9Very low59.9Low140 Ų14093.7 Ų93.786%0.85951%0.513SS*.  trans-76.581.2167.618.40000109.9T340T340-T342 PolarHBondContact O-N 2.99Å
343I48.8Very low60.1Low61 Ų6194.7 Ų94.731%0.31352%0.519SS..  trans-80.8122.7166.9-56.8-168.2000107.9L321 S341 S345L321-I343 HydrophobicContact CD2-CD1 3.39Å; L321-I343 HydrophobicContact CD2-CG1 4.2Å; S341-I343 VanDerWaalsContact C-N 3.33Å; S341-I343 PolarHBondContact O-N 3Å; I343-S345 PolarHBondContact O-N 3.09Å
344K44.3Very low60.6Low183 Ų18391.8 Ų91.880%0.79650%0.5SS*.  trans-60108.9175.2-71.5-178.9179.3178.60109.2A346 A366K344-A346 PolarHBondContact O-N 2.58Å; K344-A366 WeakPolarHBondContact O-CB 3.45Å
345S45.8Very low61Low99 Ų9986.4 Ų86.469%0.69247%0.474SS*.SBendtrans-75.2-3.8-177.655.30000114.9I343I343-S345 PolarHBondContact O-N 3.09Å
346A41.8Very low61.7Low93 Ų9380.7 Ų80.777%0.76944%0.435SS*.  trans-122.440.2-164.500000115.1K344K344-A346 PolarHBondContact O-N 2.58Å
347F45.2Very low62.3Low91 Ų9180.7 Ų80.740%0.39944%0.436SS..  trans-87.6143.1168.8-156.9-95.8000109.9D355 Y367F347-D355 WeakPolarHBondContact CE1-OD1 3.4Å; F347-Y367 VanDerWaalsContact C-CD1 3.44Å; F347-Y367 HydrophobicContact CB-CD1 3.74Å; F347-Y367 HydrophobicContact CB-CE1 3.72Å; F347-Y367 HydrophobicContact CD1-CD1 4.23Å; F347-Y367 AromaticContact CD1-CE1 3.41Å; F347-Y367 HydrophobicContact CD1-CE1 3.41Å; F347-Y367 VanDerWaalsContact CD1-CE1 3.41Å; F347-Y367 AromaticContact CD1-CZ 3.86Å; F347-Y367 HydrophobicContact CE1-CE1 4.46Å; F347-Y367 HydrophobicContact CG-CD1 4.5Å; F347-Y367 HydrophobicContact CG-CE1 4.02Å; F347-Y367 WeakPolarHBondContact O-CB 3.45Å; F347-Y367 WeakPolarHBondContact O-CD1 3.41Å
348R52.2Low62.8Low223 Ų22381.2 Ų81.284%0.84244%0.44SS*.  trans-108.8131.5163.9-77.6-176.8175.1-178.1-1.2106.2N350R348-N350 PolarHBondContact O-N 2.67Å
349S58.9Low63.5Low41 Ų4178.4 Ų78.429%0.28743%0.426SS..  trans-58.8132.2173.442.50000108.3D355 Y367S349-D355 VanDerWaalsContact CA-OD2 3.3Å; S349-D355 WeakPolarHBondContact CA-OD2 3.49Å; S349-D355 WeakPolarHBondContact CB-OD2 3.4Å; S349-Y367 WeakPolarHBondContact CA-OH 3.16Å; S349-Y367 VanDerWaalsContact CB-CZ 3.47Å; S349-Y367 WeakPolarHBondContact CB-OH 3.39Å; S349-Y367 PolarHBondContact N-OH 3.41Å; S349-Y367 VanDerWaalsContact OG-CE2 3.31Å; S349-Y367 WeakPolarHBondContact OG-CE2 3.43Å
350N62.6Low64.7Low130 Ų13071 Ų7170%0.69539%0.386SS*.  trans-79-7.2162-67-21.2000110.8R348 D355R348-N350 PolarHBondContact O-N 2.67Å; N350-D355 PolarHBondContact N-OD2 2.84Å; N350-D355 VanDerWaalsContact N-OD2 3.08Å
351G71.9Confident66.1Low4 Ų470.3 Ų70.34%0.04137%0.373CS..  trans73.637.6-174.300000110I307 D355I307-G351 WeakPolarHBondContact CG2-O 3.21Å; G351-D355 PolarHBondContact N-OD2 3.49Å
352S81.9Confident67Low32 Ų3269.6 Ų69.622%0.22437%0.369CS..  trans-97.9167.1-178.386.50000111.8I307 E354 D355I307-S352 WeakPolarHBondContact CG2-O 3.39Å; S352-E354 VanDerWaalsContact C-N 3.25Å; S352-E354 WeakPolarHBondContact CB-OE2 3.44Å; S352-E354 PolarHBondContact O-N 3.42Å; S352-E354 PolarHBondContact OG-N 3.29Å; S352-E354 PolarHBondContact OG-OE2 2.84Å; S352-D355 PolarHBondContact N-OD2 2.69Å; S352-D355 WeakPolarHBondContact O-CB 3.44Å; S352-D355 PolarHBondContact O-N 2.51Å
353V85Confident68Low37 Ų3767.1 Ų67.122%0.22435%0.354CS..Hα-helixtrans-66.5-33.8178.5-175.70000110.6L291 I295 I307 D355 V356 I357L291-V353 HydrophobicContact CD2-CG1 3.88Å; L291-V353 HydrophobicContact CG-CG1 4.48Å; I295-V353 HydrophobicContact CD1-CG1 4.14Å; I295-V353 HydrophobicContact CD1-CG2 3.82Å; I307-V353 HydrophobicContact CD1-CG2 3.99Å; V353-D355 VanDerWaalsContact C-N 3.29Å; V353-D355 PolarHBondContact O-N 2.82Å; V353-V356 WeakPolarHBondContact O-CB 3.33Å; V353-V356 PolarHBondContact O-N 3.32Å; V353-V356 VanDerWaalsContact O-N 3.09Å; V353-I357 HydrophobicContact CG1-CD1 4.01Å; V353-I357 HydrophobicContact CG1-CG1 4.42Å; V353-I357 WeakPolarHBondContact O-CG1 3.42Å; V353-I357 PolarHBondContact O-N 3.04Å
354E85.1Confident68.4Low115 Ų11565.2 Ų65.254%0.53734%0.344SS..Hα-helixtrans-59.2-39.8176.1-62.570.7-154.300111.4S352 V356 I357 D358S352-E354 VanDerWaalsContact C-N 3.25Å; S352-E354 WeakPolarHBondContact CB-OE2 3.44Å; S352-E354 PolarHBondContact O-N 3.42Å; S352-E354 PolarHBondContact OG-N 3.29Å; S352-E354 PolarHBondContact OG-OE2 2.84Å; E354-V356 VanDerWaalsContact C-N 3.26Å; E354-V356 PolarHBondContact O-N 3.47Å; E354-I357 PolarHBondContact O-N 2.89Å; E354-I357 VanDerWaalsContact O-N 3.16Å; E354-D358 WeakPolarHBondContact O-CB 3.42Å; E354-D358 PolarHBondContact O-N 3.35Å
355D81.1Confident68.8Low4 Ų457 Ų572%0.02131%0.31CS..Hα-helixtrans-59.2-39.1176-65.4-26.6000111.3I311 F347 S349 N350 G351 S352 V353 S359 Y367I311-D355 HydrophobicContact CD1-CB 3.61Å; I311-D355 HydrophobicContact CG1-CB 4.44Å; F347-D355 WeakPolarHBondContact CE1-OD1 3.4Å; S349-D355 VanDerWaalsContact CA-OD2 3.3Å; S349-D355 WeakPolarHBondContact CA-OD2 3.49Å; S349-D355 WeakPolarHBondContact CB-OD2 3.4Å; N350-D355 PolarHBondContact N-OD2 2.84Å; N350-D355 VanDerWaalsContact N-OD2 3.08Å; G351-D355 PolarHBondContact N-OD2 3.49Å; S352-D355 PolarHBondContact N-OD2 2.69Å; S352-D355 WeakPolarHBondContact O-CB 3.44Å; S352-D355 PolarHBondContact O-N 2.51Å; V353-D355 VanDerWaalsContact C-N 3.29Å; V353-D355 PolarHBondContact O-N 2.82Å; D355-S359 WeakPolarHBondContact O-CB 3.29Å; D355-S359 PolarHBondContact O-N 3.02Å; D355-S359 PolarHBondContact O-OG 2.65Å; D355-Y367 PolarHBondContact OD1-OH 2.86Å
356V84.2Confident68.8Low0 Ų053.7 Ų53.70%029%0.288CS..Hα-helixtrans-68.7-45.8176.5-176.10000110.5L291 I307 I311 I314 V353 E354 D358 S359 L360L291-V356 HydrophobicContact CD1-CG1 3.81Å; L291-V356 HydrophobicContact CD2-CB 3.84Å; L291-V356 HydrophobicContact CD2-CG1 3.56Å; L291-V356 HydrophobicContact CG-CG1 4.34Å; I307-V356 HydrophobicContact CG2-CG2 3.77Å; I311-V356 HydrophobicContact CD1-CG2 4.17Å; I311-V356 HydrophobicContact CG1-CB 4.48Å; I311-V356 HydrophobicContact CG1-CG2 3.58Å; I314-V356 HydrophobicContact CD1-CG1 3.57Å; V353-V356 WeakPolarHBondContact O-CB 3.33Å; V353-V356 PolarHBondContact O-N 3.32Å; V353-V356 VanDerWaalsContact O-N 3.09Å; E354-V356 VanDerWaalsContact C-N 3.26Å; E354-V356 PolarHBondContact O-N 3.47Å; V356-D358 VanDerWaalsContact C-N 3.3Å; V356-D358 PolarHBondContact O-N 3.42Å; V356-S359 WeakPolarHBondContact O-CB 3.29Å; V356-S359 PolarHBondContact O-N 2.95Å; V356-S359 VanDerWaalsContact O-N 3.16Å; V356-L360 HydrophobicContact CG1-CD1 4.19Å; V356-L360 HydrophobicContact CG1-CG 4.43Å; V356-L360 WeakPolarHBondContact O-CG 3.27Å; V356-L360 PolarHBondContact O-N 3.09Å
357I84.7Confident69.2Low20 Ų2051.5 Ų51.510%0.10326%0.26CS..Hα-helixtrans-60.2-44.1179.4-66.9166.9000110I288 L291 V353 E354 S359 L360 K361I288-I357 HydrophobicContact CB-CD1 4.38Å; I288-I357 HydrophobicContact CD1-CD1 4Å; I288-I357 HydrophobicContact CG2-CD1 3.95Å; I288-I357 HydrophobicContact CG2-CG1 3.94Å; I288-I357 HydrophobicContact CG2-CG2 4.37Å; L291-I357 HydrophobicContact CD2-CG1 4.07Å; V353-I357 HydrophobicContact CG1-CD1 4.01Å; V353-I357 HydrophobicContact CG1-CG1 4.42Å; V353-I357 WeakPolarHBondContact O-CG1 3.42Å; V353-I357 PolarHBondContact O-N 3.04Å; E354-I357 PolarHBondContact O-N 2.89Å; E354-I357 VanDerWaalsContact O-N 3.16Å; I357-S359 VanDerWaalsContact C-N 3.32Å; I357-S359 PolarHBondContact O-N 2.75Å; I357-L360 PolarHBondContact O-N 2.67Å; I357-K361 HydrophobicContact CG2-CD 3.96Å; I357-K361 VanDerWaalsContact CG2-CE 3.47Å; I357-K361 HydrophobicContact CG2-CG 4.43Å; I357-K361 WeakPolarHBondContact O-CB 3.44Å; I357-K361 VanDerWaalsContact O-CG 3.3Å; I357-K361 WeakPolarHBondContact O-CG 3.31Å; I357-K361 PolarHBondContact O-N 3.4Å
358D80.5Confident69.2Low51 Ų5147.9 Ų47.927%0.27325%0.245SC..Hα-helixtrans-65-36.4176.7-78.1-17.6000112.4E354 V356 K361 G362 T363 N364E354-D358 WeakPolarHBondContact O-CB 3.42Å; E354-D358 PolarHBondContact O-N 3.35Å; V356-D358 VanDerWaalsContact C-N 3.3Å; V356-D358 PolarHBondContact O-N 3.42Å; D358-K361 PolarHBondContact O-N 3.22Å; D358-G362 CarbonylContact O-C 3.51Å; D358-G362 WeakPolarHBondContact O-CA 3.37Å; D358-G362 PolarHBondContact O-N 3.23Å; D358-T363 WeakPolarHBondContact CA-OG1 3.19Å; D358-T363 PolarHBondContact O-N 2.89Å; D358-T363 PolarHBondContact O-OG1 2.94Å; D358-T363 PolarHBondContact OD1-OG1 3.48Å; D358-N364 HydrophobicContact CB-CB 3.62Å
359S79.5Confident69.4Low2 Ų239.6 Ų39.61%0.01421%0.214CC..Hα-helixtrans-63.7-43.3173.5-55.80000111.7V318 D355 V356 I357 G362 L368V318-S359 WeakPolarHBondContact CG2-O 3.49Å; D355-S359 WeakPolarHBondContact O-CB 3.29Å; D355-S359 PolarHBondContact O-N 3.02Å; D355-S359 PolarHBondContact O-OG 2.65Å; V356-S359 WeakPolarHBondContact O-CB 3.29Å; V356-S359 PolarHBondContact O-N 2.95Å; V356-S359 VanDerWaalsContact O-N 3.16Å; I357-S359 VanDerWaalsContact C-N 3.32Å; I357-S359 PolarHBondContact O-N 2.75Å; S359-G362 PolarHBondContact O-N 3.26Å; S359-L368 VanDerWaalsContact OG-CD1 3.23Å; S359-L368 WeakPolarHBondContact OG-CD1 3.31Å
360L82.2Confident69.4Low17 Ų1739.6 Ų39.69%0.08921%0.209CC..Hα-helixtrans-68.3-37.9177.7-69173.4000112.2F232 P235 F236 I314 V356 I357 G362F232-L360 HydrophobicContact CD2-CB 4.04Å; F232-L360 HydrophobicContact CE1-CD1 4.35Å; F232-L360 HydrophobicContact CE2-CB 3.48Å; F232-L360 VanDerWaalsContact CE2-CB 3.48Å; F232-L360 HydrophobicContact CE2-CD1 4.42Å; F232-L360 HydrophobicContact CZ-CB 3.89Å; F232-L360 HydrophobicContact CZ-CD1 3.96Å; P235-L360 HydrophobicContact CB-CD2 3.96Å; P235-L360 HydrophobicContact CG-CD2 4.37Å; F236-L360 HydrophobicContact CB-CD2 4.06Å; I314-L360 HydrophobicContact CD1-CD2 3.79Å; I314-L360 HydrophobicContact CD1-CG 4.1Å; I314-L360 HydrophobicContact CG1-CD2 4.1Å; I314-L360 HydrophobicContact CG2-CD2 3.94Å; I314-L360 HydrophobicContact CG2-CG 4.49Å; V356-L360 HydrophobicContact CG1-CD1 4.19Å; V356-L360 HydrophobicContact CG1-CG 4.43Å; V356-L360 WeakPolarHBondContact O-CG 3.27Å; V356-L360 PolarHBondContact O-N 3.09Å; I357-L360 PolarHBondContact O-N 2.67Å; L360-G362 PolarHBondContact O-N 2.99Å
361K77.7Confident69.7Low109 Ų10938.9 Ų38.947%0.47420%0.202SC..Hα-helixtrans-71.4-21.1172.2-69.6176.1-179.1171.30112.4F232 I357 D358 T363F232-K361 HydrophobicContact CE2-CG 3.93Å; I357-K361 HydrophobicContact CG2-CD 3.96Å; I357-K361 VanDerWaalsContact CG2-CE 3.47Å; I357-K361 HydrophobicContact CG2-CG 4.43Å; I357-K361 WeakPolarHBondContact O-CB 3.44Å; I357-K361 VanDerWaalsContact O-CG 3.3Å; I357-K361 WeakPolarHBondContact O-CG 3.31Å; I357-K361 PolarHBondContact O-N 3.4Å; D358-K361 PolarHBondContact O-N 3.22Å; K361-T363 VanDerWaalsContact C-N 3.26Å; K361-T363 HydrophobicContact CB-CG2 3.95Å
362G69.2Low70Confident10 Ų1041.7 Ų41.710%0.10322%0.216CC..THydrogen-bonded Turntrans67.923.1-17200000113.9D358 S359 L360D358-G362 CarbonylContact O-C 3.51Å; D358-G362 WeakPolarHBondContact O-CA 3.37Å; D358-G362 PolarHBondContact O-N 3.23Å; S359-G362 PolarHBondContact O-N 3.26Å; L360-G362 PolarHBondContact O-N 2.99Å
363T65.4Low70.2Confident87 Ų8740.5 Ų40.553%0.53421%0.206SC..  trans-82.3-29.5179.443.70000112.5D358 K361D358-T363 WeakPolarHBondContact CA-OG1 3.19Å; D358-T363 PolarHBondContact O-N 2.89Å; D358-T363 PolarHBondContact O-OG1 2.94Å; D358-T363 PolarHBondContact OD1-OG1 3.48Å; K361-T363 VanDerWaalsContact C-N 3.26Å; K361-T363 HydrophobicContact CB-CG2 3.95Å
364N57.1Low70.5Confident22 Ų2238.9 Ų38.912%0.11820%0.196CC..  trans-116.5108.9177.3-160.5-13.5000109.9D358D358-N364 HydrophobicContact CB-CB 3.62Å
365V52.6Low70.6Confident11 Ų1137.8 Ų37.87%0.06719%0.194CC..  trans-107.9-9.4-176.2-171.50000110.8V318 C319 Y367 W369V318-V365 HydrophobicContact CG1-CG1 4.41Å; V318-V365 HydrophobicContact CG1-CG2 4.26Å; C319-V365 WeakPolarHBondContact O-CG1 3.5Å; V365-Y367 PolarHBondContact O-N 2.77Å; V365-W369 HydrophobicContact CG1-CZ2 4.18Å; V365-W369 PolarHBondContact O-NE1 2.76Å
366A46Very low71.1Confident28 Ų2839.5 Ų39.523%0.23121%0.213CC..SBendtrans-71.2-30-150.400000116.5K344K344-A366 WeakPolarHBondContact O-CB 3.45Å
367Y49.8Very low71.6Confident47 Ų4740.1 Ų40.118%0.18422%0.216CC..SBendtrans-143.79.1-165.568.3-82.6000115.9F347 S349 D355 V365 W369F347-Y367 VanDerWaalsContact C-CD1 3.44Å; F347-Y367 HydrophobicContact CB-CD1 3.74Å; F347-Y367 HydrophobicContact CB-CE1 3.72Å; F347-Y367 HydrophobicContact CD1-CD1 4.23Å; F347-Y367 AromaticContact CD1-CE1 3.41Å; F347-Y367 HydrophobicContact CD1-CE1 3.41Å; F347-Y367 VanDerWaalsContact CD1-CE1 3.41Å; F347-Y367 AromaticContact CD1-CZ 3.86Å; F347-Y367 HydrophobicContact CE1-CE1 4.46Å; F347-Y367 HydrophobicContact CG-CD1 4.5Å; F347-Y367 HydrophobicContact CG-CE1 4.02Å; F347-Y367 WeakPolarHBondContact O-CB 3.45Å; F347-Y367 WeakPolarHBondContact O-CD1 3.41Å; S349-Y367 WeakPolarHBondContact CA-OH 3.16Å; S349-Y367 VanDerWaalsContact CB-CZ 3.47Å; S349-Y367 WeakPolarHBondContact CB-OH 3.39Å; S349-Y367 PolarHBondContact N-OH 3.41Å; S349-Y367 VanDerWaalsContact OG-CE2 3.31Å; S349-Y367 WeakPolarHBondContact OG-CE2 3.43Å; D355-Y367 PolarHBondContact OD1-OH 2.86Å; V365-Y367 PolarHBondContact O-N 2.77Å; Y367-W369 PolarHBondContact O-N 2.61Å; Y367-W369 VanDerWaalsContact O-N 3.07Å
368L46.7Very low72.1Confident16 Ų1641.1 Ų41.18%0.08422%0.223CC..SBendtrans-68.7-8.7177.5-52.2-173.5000113.2I311 S315 S359I311-L368 HydrophobicContact CG2-CD1 3.89Å; I311-L368 HydrophobicContact CG2-CD2 3.08Å; I311-L368 HydrophobicContact CG2-CG 3.96Å; S315-L368 VanDerWaalsContact CB-CB 3.45Å; S359-L368 VanDerWaalsContact OG-CD1 3.23Å; S359-L368 WeakPolarHBondContact OG-CD1 3.31Å
369W55.6Low72.9Confident49 Ų4944 Ų4419%0.18625%0.245CC..SBendtrans-90147.2-173.2-40.896.3000110.3F142 S315 V318 P320 V365 Y367F142-W369 HydrophobicContact CD2-CZ3 4.11Å; S315-W369 WeakPolarHBondContact O-CH2 2.91Å; S315-W369 WeakPolarHBondContact O-CZ3 3.43Å; V318-W369 HydrophobicContact CB-CH2 4.26Å; V318-W369 HydrophobicContact CB-CZ2 4.22Å; V318-W369 HydrophobicContact CG1-CZ2 4.35Å; V318-W369 WeakPolarHBondContact O-CH2 3.34Å; P320-W369 HydrophobicContact CB-CD2 4.28Å; P320-W369 HydrophobicContact CB-CE3 4.26Å; P320-W369 HydrophobicContact CB-CH2 3.87Å; P320-W369 HydrophobicContact CB-CZ2 3.85Å; P320-W369 HydrophobicContact CB-CZ3 4.05Å; P320-W369 HydrophobicContact CG-CH2 4.44Å; V365-W369 HydrophobicContact CG1-CZ2 4.18Å; V365-W369 PolarHBondContact O-NE1 2.76Å; Y367-W369 PolarHBondContact O-N 2.61Å; Y367-W369 VanDerWaalsContact O-N 3.07Å
370H59.4Low73.7Confident41 Ų4147.7 Ų47.719%0.1926%0.258CS..PPolyproline II helixtrans-48.9143.7171.7-60.2-64.9000110.9C80 D81 M82 H312 D372C80-H370 WeakPolarHBondContact O-CB 3.44Å; C80-H370 PolarHBondContact O-CD2 2.83Å; C80-H370 PolarHBondContact O-ND1 3.07Å; D81-H370 VanDerWaalsContact CA-CE1 3.44Å; D81-H370 WeakPolarHBondContact CA-CE1 3.44Å; D81-H370 IonicContact OD1-CE1 3.39Å; D81-H370 PolarHBondContact OD1-CE1 2.88Å; D81-H370 IonicContact OD1-ND1 3.7Å; D81-H370 IonicContact OD1-NE2 3.6Å; M82-H370 HydrophobicContact CG-CB 4.07Å; H312-H370 AromaticContact CE1-CE1 3.7Å; H312-H370 AromaticContact CE1-NE2 3.83Å; H370-D372 PolarHBondContact O-N 3.42Å
371E68Low74.4Confident115 Ų11546.9 Ų46.954%0.53725%0.254SS..PPolyproline II helixtrans-46.4131.6169-67.5173.1178.100109.3Y373E371-Y373 VanDerWaalsContact C-N 3.28Å; E371-Y373 PolarHBondContact O-N 3.07Å
372D79.4Confident75.2Confident63 Ų6344.1 Ų44.134%0.33724%0.244SC..  trans-68.291.3175.9-178.36.9000109.1K140 H370 T374 N375K140-D372 IonicContact NZ-OD1 3.69Å; K140-D372 PolarHBondContact NZ-OD1 3.38Å; K140-D372 IonicContact NZ-OD2 3.46Å; K140-D372 PolarHBondContact NZ-OD2 2.81Å; H370-D372 PolarHBondContact O-N 3.42Å; D372-T374 PolarHBondContact O-N 2.88Å; D372-T374 VanDerWaalsContact O-N 3.09Å; D372-T374 WeakPolarHBondContact OD1-CB 3.33Å; D372-T374 PolarHBondContact OD1-N 3.38Å; D372-T374 PolarHBondContact OD1-OG1 2.85Å; D372-T374 PolarHBondContact OD2-OG1 2.66Å; D372-N375 HydrophobicContact CB-CB 4.42Å; D372-N375 WeakPolarHBondContact O-CB 3.17Å; D372-N375 PolarHBondContact O-N 2.9Å
373Y86.1Confident76.4Confident6 Ų649.8 Ų49.82%0.02426%0.264CS..THydrogen-bonded Turntrans-63.3-16.7-179.968.5-89.9000112.6G78 C80 E371 N375 W377 F385 P392 Y397 K444G78-Y373 PolarHBondContact O-OH 3.16Å; C80-Y373 HydrophobicContact CB-CD1 3.74Å; C80-Y373 HydrophobicContact CB-CE1 3.48Å; C80-Y373 VanDerWaalsContact CB-CE1 3.48Å; E371-Y373 VanDerWaalsContact C-N 3.28Å; E371-Y373 PolarHBondContact O-N 3.07Å; Y373-N375 VanDerWaalsContact C-N 3.32Å; Y373-W377 HydrophobicContact CD2-CH2 4.11Å; Y373-W377 AromaticContact CD2-CZ2 3.9Å; Y373-W377 HydrophobicContact CD2-CZ2 3.9Å; Y373-W377 AromaticContact CE2-CH2 3.77Å; Y373-W377 HydrophobicContact CE2-CH2 3.77Å; Y373-W377 HydrophobicContact CE2-CZ2 4.04Å; Y373-W377 PolarHBondContact O-NE1 3.41Å; Y373-F385 VanDerWaalsContact OH-CE2 3.32Å; Y373-F385 WeakPolarHBondContact OH-CE2 3.29Å; Y373-F385 VanDerWaalsContact OH-CZ 3.32Å; Y373-F385 WeakPolarHBondContact OH-CZ 3.09Å; Y373-P392 WeakPolarHBondContact OH-CB 3.13Å; Y373-Y397 HydrophobicContact CD2-CD1 4.45Å; Y373-Y397 AromaticContact CD2-CD2 3.61Å; Y373-Y397 HydrophobicContact CD2-CD2 3.61Å; Y373-Y397 HydrophobicContact CD2-CE1 4.48Å; Y373-Y397 AromaticContact CD2-CE2 3.67Å; Y373-Y397 HydrophobicContact CD2-CE2 3.67Å; Y373-Y397 HydrophobicContact CD2-CG 4.07Å; Y373-Y397 HydrophobicContact CE2-CD2 4.15Å; Y373-Y397 HydrophobicContact CE2-CE2 4.22Å; Y373-Y397 HydrophobicContact CG-CD1 4.46Å; Y373-Y397 HydrophobicContact CG-CD2 4.15Å; Y373-Y397 HydrophobicContact CG-CG 4.16Å; Y373-K444 PolarHBondContact O-NZ 2.98Å; Y373-K444 VanDerWaalsContact O-NZ 3.08Å
374T90Very high77.8Confident3 Ų347.1 Ų47.12%0.01825%0.246CC..THydrogen-bonded Turntrans-85.6-3.3175.975.80000113.5K140 D372 G376 W377 F385K140-T374 WeakPolarHBondContact CE-OG1 3.36Å; K140-T374 PolarHBondContact NZ-OG1 3.13Å; D372-T374 PolarHBondContact O-N 2.88Å; D372-T374 VanDerWaalsContact O-N 3.09Å; D372-T374 WeakPolarHBondContact OD1-CB 3.33Å; D372-T374 PolarHBondContact OD1-N 3.38Å; D372-T374 PolarHBondContact OD1-OG1 2.85Å; D372-T374 PolarHBondContact OD2-OG1 2.66Å; T374-G376 PolarHBondContact O-N 3.32Å; T374-W377 HydrophobicContact CG2-CD2 4.28Å; T374-W377 HydrophobicContact CG2-CE3 3.86Å; T374-W377 HydrophobicContact CG2-CH2 3.93Å; T374-W377 HydrophobicContact CG2-CZ2 4.31Å; T374-W377 HydrophobicContact CG2-CZ3 3.69Å; T374-W377 VanDerWaalsContact O-CB 3.27Å; T374-W377 WeakPolarHBondContact O-CB 3.41Å; T374-W377 VanDerWaalsContact O-CG 3.31Å; T374-W377 PolarHBondContact O-N 2.65Å; T374-F385 HydrophobicContact CG2-CD1 4.42Å; T374-F385 HydrophobicContact CG2-CE1 4.07Å; T374-F385 HydrophobicContact CG2-CZ 4.13Å
375N88.3Confident79.6Confident92 Ų9246.1 Ų46.149%0.49224%0.241SC..THydrogen-bonded Turntrans-58131178.9-176.235.4000111D372 Y373 W377 K444D372-N375 HydrophobicContact CB-CB 4.42Å; D372-N375 WeakPolarHBondContact O-CB 3.17Å; D372-N375 PolarHBondContact O-N 2.9Å; Y373-N375 VanDerWaalsContact C-N 3.32Å; N375-W377 VanDerWaalsContact C-N 3.29Å; N375-W377 PolarHBondContact O-N 2.89Å; N375-K444 PolarHBondContact O-NZ 2.83Å
376G91.4Very high81.6Confident41 Ų4146.8 Ų46.842%0.42324%0.242SC..THydrogen-bonded Turntrans82.1-6.5-176.800000115.4T374 L439T374-G376 PolarHBondContact O-N 3.32Å; G376-L439 VanDerWaalsContact O-CD1 3.27Å; G376-L439 WeakPolarHBondContact O-CD1 3.49Å
377W94.7Very high83.8Confident13 Ų1350.3 Ų50.35%0.04925%0.252CS..  trans-60.7143.5177.1-75.95.6000112.2Y373 T374 N375 L381 F385 Y397 Y432 E436Y373-W377 HydrophobicContact CD2-CH2 4.11Å; Y373-W377 AromaticContact CD2-CZ2 3.9Å; Y373-W377 HydrophobicContact CD2-CZ2 3.9Å; Y373-W377 AromaticContact CE2-CH2 3.77Å; Y373-W377 HydrophobicContact CE2-CH2 3.77Å; Y373-W377 HydrophobicContact CE2-CZ2 4.04Å; Y373-W377 PolarHBondContact O-NE1 3.41Å; T374-W377 HydrophobicContact CG2-CD2 4.28Å; T374-W377 HydrophobicContact CG2-CE3 3.86Å; T374-W377 HydrophobicContact CG2-CH2 3.93Å; T374-W377 HydrophobicContact CG2-CZ2 4.31Å; T374-W377 HydrophobicContact CG2-CZ3 3.69Å; T374-W377 VanDerWaalsContact O-CB 3.27Å; T374-W377 WeakPolarHBondContact O-CB 3.41Å; T374-W377 VanDerWaalsContact O-CG 3.31Å; T374-W377 PolarHBondContact O-N 2.65Å; N375-W377 VanDerWaalsContact C-N 3.29Å; N375-W377 PolarHBondContact O-N 2.89Å; W377-L381 HydrophobicContact CB-CD2 4.12Å; W377-L381 HydrophobicContact CD2-CD2 3.6Å; W377-L381 HydrophobicContact CD2-CG 4.21Å; W377-L381 HydrophobicContact CE3-CD2 3.69Å; W377-L381 HydrophobicContact CE3-CG 3.78Å; W377-L381 HydrophobicContact CG-CD2 3.82Å; W377-L381 HydrophobicContact CZ3-CD2 4.3Å; W377-L381 HydrophobicContact CZ3-CG 4.3Å; W377-F385 HydrophobicContact CH2-CD2 4.45Å; W377-F385 HydrophobicContact CZ3-CB 4.17Å; W377-F385 AromaticContact CZ3-CD2 3.91Å; W377-F385 HydrophobicContact CZ3-CD2 3.91Å; W377-F385 HydrophobicContact CZ3-CE2 4.47Å; W377-F385 HydrophobicContact CZ3-CG 4.03Å; W377-Y397 HydrophobicContact CZ2-CE2 4.16Å; W377-Y432 AromaticContact CH2-CE1 3.92Å; W377-Y432 HydrophobicContact CH2-CE1 3.92Å; W377-Y432 HydrophobicContact CZ2-CD1 4.22Å; W377-Y432 AromaticContact CZ2-CE1 3.62Å; W377-Y432 HydrophobicContact CZ2-CE1 3.62Å; W377-E436 PolarHBondContact NE1-OE1 3.37Å
378P95.7Very high85.8Confident40 Ų4048.2 Ų48.226%0.2625%0.245SC..  trans-55.6144.5174.6-26.634.6000112.3R380 L381 L382 L435 L608P378-R380 VanDerWaalsContact C-N 3.26Å; P378-R380 PolarHBondContact O-N 2.52Å; P378-R380 VanDerWaalsContact O-N 3.12Å; P378-L381 WeakPolarHBondContact O-CB 3.41Å; P378-L381 PolarHBondContact O-N 3.32Å; P378-L382 PolarHBondContact O-N 3.12Å; P378-L435 HydrophobicContact CG-CD1 4.25Å; P378-L608 HydrophobicContact CG-CD2 4.07Å
379P95.3Very high87.9Confident113 Ų11350.6 Ų50.673%0.73426%0.26SS*.Hα-helixtrans-53.8-38.7-175.5-29.335.2000114.2L382 Y383P379-L382 PolarHBondContact O-N 3.43Å; P379-Y383 WeakPolarHBondContact O-CB 3.41Å; P379-Y383 PolarHBondContact O-N 3.22Å
380R96.5Very high89.7Confident78 Ų7848.4 Ų48.429%0.29425%0.252SS..Hα-helixtrans-66.5-39.6178.9-177176.1170.2144-3.5112.6P378 N384 N606 C607 E611 Q614P378-R380 VanDerWaalsContact C-N 3.26Å; P378-R380 PolarHBondContact O-N 2.52Å; P378-R380 VanDerWaalsContact O-N 3.12Å; R380-N384 WeakPolarHBondContact O-CB 3.39Å; R380-N384 PolarHBondContact O-N 2.86Å; R380-N384 VanDerWaalsContact O-N 3.07Å; R380-N384 PolarHBondContact O-ND2 3.46Å; R380-N606 PolarHBondContact NE-O 3.48Å; R380-N606 VanDerWaalsContact NE-O 3.08Å; R380-N606 PolarHBondContact NH2-O 3.39Å; R380-C607 HydrophobicContact CG-CB 4.28Å; R380-E611 IonicContact NH1-OE1 2.64Å; R380-E611 PolarHBondContact NH1-OE1 2.82Å; R380-Q614 VanDerWaalsContact NH2-OE1 3.13Å
381L96.7Very high91Very high0 Ų049 Ų490%025%0.254CS..Hα-helixtrans-66-47.8175-178.965.8000110.3W377 P378 Y383 N384 F385 V390 Y432 L435 T604 C607 L608W377-L381 HydrophobicContact CB-CD2 4.12Å; W377-L381 HydrophobicContact CD2-CD2 3.6Å; W377-L381 HydrophobicContact CD2-CG 4.21Å; W377-L381 HydrophobicContact CE3-CD2 3.69Å; W377-L381 HydrophobicContact CE3-CG 3.78Å; W377-L381 HydrophobicContact CG-CD2 3.82Å; W377-L381 HydrophobicContact CZ3-CD2 4.3Å; W377-L381 HydrophobicContact CZ3-CG 4.3Å; P378-L381 WeakPolarHBondContact O-CB 3.41Å; P378-L381 PolarHBondContact O-N 3.32Å; L381-Y383 VanDerWaalsContact C-N 3.35Å; L381-Y383 PolarHBondContact O-N 3.11Å; L381-N384 PolarHBondContact O-N 3.42Å; L381-F385 WeakPolarHBondContact O-CB 3.44Å; L381-F385 PolarHBondContact O-N 3.43Å; L381-V390 HydrophobicContact CD1-CG1 3.93Å; L381-V390 HydrophobicContact CD1-CG2 4.15Å; L381-Y432 HydrophobicContact CD2-CE1 4.47Å; L381-L435 HydrophobicContact CD2-CD2 3.62Å; L381-T604 HydrophobicContact CD1-CG2 4.24Å; L381-C607 HydrophobicContact CB-CB 4.28Å; L381-C607 HydrophobicContact CD1-CB 4Å; L381-L608 HydrophobicContact CB-CD2 4.43Å; L381-L608 HydrophobicContact CD2-CD2 4.02Å
382L94.6Very high91.9Very high51 Ų5145 Ų4527%0.26724%0.238SC..Hα-helixtrans-61.4-42.8178.4-17961.2000111.8P378 P379 F385 R386P378-L382 PolarHBondContact O-N 3.12Å; P379-L382 PolarHBondContact O-N 3.43Å; L382-F385 HydrophobicContact CD1-CD1 4.4Å; L382-F385 WeakPolarHBondContact O-CB 3.32Å; L382-F385 PolarHBondContact O-N 3.28Å; L382-R386 HydrophobicContact CD1-CG 4.39Å; L382-R386 WeakPolarHBondContact O-CB 3.16Å; L382-R386 VanDerWaalsContact O-CG 3.29Å; L382-R386 WeakPolarHBondContact O-CG 3.49Å; L382-R386 PolarHBondContact O-N 3.24Å
383Y95.1Very high92.4Very high130 Ų13043.1 Ų43.151%0.5123%0.227SC..Hα-helixtrans-59.6-49175.9176.3-98.1000112.1P379 L381 F385 R386 K387P379-Y383 WeakPolarHBondContact O-CB 3.41Å; P379-Y383 PolarHBondContact O-N 3.22Å; L381-Y383 VanDerWaalsContact C-N 3.35Å; L381-Y383 PolarHBondContact O-N 3.11Å; Y383-F385 VanDerWaalsContact C-N 3.32Å; Y383-F385 PolarHBondContact O-N 3.37Å; Y383-R386 PolarHBondContact O-N 3.43Å; Y383-K387 HydrophobicContact CD1-CD 4.43Å; Y383-K387 HydrophobicContact CE1-CD 3.67Å; Y383-K387 HydrophobicContact CE1-CG 4.37Å; Y383-K387 HydrophobicContact CE2-CD 4.48Å; Y383-K387 VanDerWaalsContact CZ-CE 3.44Å; Y383-K387 PolarHBondContact O-N 2.96Å; Y383-K387 WeakPolarHBondContact OH-CE 3.09Å; Y383-K387 PolarHBondContact OH-NZ 2.99Å
384N95.1Very high92.5Very high31 Ų3145.2 Ų45.217%0.16624%0.241CC..Hα-helixtrans-69.9-29.4179-79.8-78.5000112.8R380 L381 G388 T389 V390R380-N384 WeakPolarHBondContact O-CB 3.39Å; R380-N384 PolarHBondContact O-N 2.86Å; R380-N384 VanDerWaalsContact O-N 3.07Å; R380-N384 PolarHBondContact O-ND2 3.46Å; L381-N384 PolarHBondContact O-N 3.42Å; N384-G388 PolarHBondContact O-N 2.78Å; N384-T389 PolarHBondContact O-N 3.17Å; N384-V390 HydrophobicContact CB-CB 4.44Å; N384-V390 HydrophobicContact CB-CG2 3.77Å; N384-V390 PolarHBondContact O-N 3.45Å
385F95Very high92.7Very high0 Ų045.4 Ų45.40%024%0.243CC..Hα-helixtrans-63.4-49.3169170.9-94.8000111.2R138 K140 Y373 T374 W377 L381 L382 Y383 K387 G388 V390 P392R138-F385 WeakPolarHBondContact CB-O 3.32Å; R138-F385 VanDerWaalsContact CD-CZ 3.48Å; R138-F385 WeakPolarHBondContact CD-O 3.14Å; R138-F385 HydrophobicContact CG-CE1 4.29Å; R138-F385 HydrophobicContact CG-CZ 4.22Å; R138-F385 PolarHBondContact NE-O 3.4Å; R138-F385 VanDerWaalsContact NE-O 3.09Å; K140-F385 HydrophobicContact CG-CE1 4.49Å; Y373-F385 VanDerWaalsContact OH-CE2 3.32Å; Y373-F385 WeakPolarHBondContact OH-CE2 3.29Å; Y373-F385 VanDerWaalsContact OH-CZ 3.32Å; Y373-F385 WeakPolarHBondContact OH-CZ 3.09Å; T374-F385 HydrophobicContact CG2-CD1 4.42Å; T374-F385 HydrophobicContact CG2-CE1 4.07Å; T374-F385 HydrophobicContact CG2-CZ 4.13Å; W377-F385 HydrophobicContact CH2-CD2 4.45Å; W377-F385 HydrophobicContact CZ3-CB 4.17Å; W377-F385 AromaticContact CZ3-CD2 3.91Å; W377-F385 HydrophobicContact CZ3-CD2 3.91Å; W377-F385 HydrophobicContact CZ3-CE2 4.47Å; W377-F385 HydrophobicContact CZ3-CG 4.03Å; L381-F385 WeakPolarHBondContact O-CB 3.44Å; L381-F385 PolarHBondContact O-N 3.43Å; L382-F385 HydrophobicContact CD1-CD1 4.4Å; L382-F385 WeakPolarHBondContact O-CB 3.32Å; L382-F385 PolarHBondContact O-N 3.28Å; Y383-F385 VanDerWaalsContact C-N 3.32Å; Y383-F385 PolarHBondContact O-N 3.37Å; F385-K387 PolarHBondContact O-N 3.09Å; F385-G388 WeakPolarHBondContact O-CA 2.98Å; F385-G388 PolarHBondContact O-N 2.97Å; F385-V390 HydrophobicContact CB-CB 4.39Å; F385-P392 HydrophobicContact CE2-CB 4.38Å; F385-P392 HydrophobicContact CE2-CG 3.85Å
386R93.8Very high92.9Very high26 Ų2641 Ų4110%0.09822%0.219CC..Hα-helixtrans-61.6-40177.9-72-64.8-165.7178.55.4112I137 R138 K140 E323 L382 Y383 G388I137-R386 CarbonylContact C-O 3.56Å; I137-R386 WeakPolarHBondContact CA-O 3.34Å; R138-R386 WeakPolarHBondContact CB-O 3.47Å; R138-R386 PolarHBondContact N-O 2.79Å; R138-R386 WeakPolarHBondContact O-CD 3.34Å; R138-R386 PolarHBondContact O-NH1 3.11Å; K140-R386 VanDerWaalsContact CE-NH2 3.26Å; E323-R386 IonicContact OE1-CZ 3.07Å; E323-R386 IonicContact OE1-NH1 3.54Å; E323-R386 PolarHBondContact OE1-NH1 3.03Å; E323-R386 IonicContact OE1-NH2 2.91Å; E323-R386 PolarHBondContact OE1-NH2 2.91Å; E323-R386 IonicContact OE2-CZ 2.67Å; E323-R386 IonicContact OE2-NH1 2.6Å; E323-R386 IonicContact OE2-NH2 2.62Å; E323-R386 PolarHBondContact OE2-NH2 3.41Å; L382-R386 HydrophobicContact CD1-CG 4.39Å; L382-R386 WeakPolarHBondContact O-CB 3.16Å; L382-R386 VanDerWaalsContact O-CG 3.29Å; L382-R386 WeakPolarHBondContact O-CG 3.49Å; L382-R386 PolarHBondContact O-N 3.24Å; Y383-R386 PolarHBondContact O-N 3.43Å; R386-G388 PolarHBondContact O-N 3.26Å
387K92.4Very high93Very high102 Ų10239.1 Ų39.144%0.44320%0.199SC..THydrogen-bonded Turntrans-68.7-13.4173.2-83.7-163.8160.9-179.40114.5M126 Y383 F385M126-K387 WeakPolarHBondContact CE-O 3.33Å; Y383-K387 HydrophobicContact CD1-CD 4.43Å; Y383-K387 HydrophobicContact CE1-CD 3.67Å; Y383-K387 HydrophobicContact CE1-CG 4.37Å; Y383-K387 HydrophobicContact CE2-CD 4.48Å; Y383-K387 VanDerWaalsContact CZ-CE 3.44Å; Y383-K387 PolarHBondContact O-N 2.96Å; Y383-K387 WeakPolarHBondContact OH-CE 3.09Å; Y383-K387 PolarHBondContact OH-NZ 2.99Å; F385-K387 PolarHBondContact O-N 3.09Å
388G91.3Very high92.8Very high3 Ų338.6 Ų38.63%0.03120%0.198CC..THydrogen-bonded Turntrans88.70.4179.900000115.1R138 N384 F385 R386R138-G388 PolarHBondContact NH2-O 3.09Å; R138-G388 VanDerWaalsContact NH2-O 3.16Å; N384-G388 PolarHBondContact O-N 2.78Å; F385-G388 WeakPolarHBondContact O-CA 2.98Å; F385-G388 PolarHBondContact O-N 2.97Å; R386-G388 PolarHBondContact O-N 3.26Å
389T91.5Very high92.4Very high66 Ų6639.1 Ų39.141%0.40520%0.202SC..SBendtrans-70.1-41.9177.2-40.50000111.8N384 T603N384-T389 PolarHBondContact O-N 3.17Å; T389-T603 HydrophobicContact CG2-CG2 3.81Å
390V93.4Very high92.1Very high2 Ų237.2 Ų37.21%0.01219%0.186CC..SBendtrans-92.7129.7172.6172.70000109.1L381 N384 F385 T603L381-V390 HydrophobicContact CD1-CG1 3.93Å; L381-V390 HydrophobicContact CD1-CG2 4.15Å; N384-V390 HydrophobicContact CB-CB 4.44Å; N384-V390 HydrophobicContact CB-CG2 3.77Å; N384-V390 PolarHBondContact O-N 3.45Å; F385-V390 HydrophobicContact CB-CB 4.39Å; V390-T603 HydrophobicContact CG2-CG2 4Å
391F87.7Confident91.8Very high54 Ų5433.6 Ų33.624%0.23717%0.172CC..PPolyproline II helixtrans-91.8143.8-178.2-70.2-93.8000111.5R122 K123R122-F391 HydrophobicContact CG-CE1 4.27Å; K123-F391 HydrophobicContact CG-CZ 4.09Å
392P86.5Confident91.6Very high30 Ų3034.4 Ų34.420%0.19518%0.177CC..PPolyproline II helixtrans-52.2144.5169.1-23.129.8000112.1R138 Y373 F385 P394R138-P392 VanDerWaalsContact NH1-CD 3.32Å; Y373-P392 WeakPolarHBondContact OH-CB 3.13Å; F385-P392 HydrophobicContact CE2-CB 4.38Å; F385-P392 HydrophobicContact CE2-CG 3.85Å; P392-P394 WeakPolarHBondContact O-CD 3.41Å
393K89.4Confident91.5Very high25 Ų2533.5 Ų33.511%0.10917%0.171CC..  trans-114.368.7176-57.6-56.9176.1177.10111.4S395 I396 Y397 D428 Y432K393-S395 PolarHBondContact O-N 3.39Å; K393-I396 HydrophobicContact CB-CD1 4.35Å; K393-I396 HydrophobicContact CB-CG1 4.24Å; K393-I396 WeakPolarHBondContact O-CG1 3.26Å; K393-I396 PolarHBondContact O-N 3.24Å; K393-Y397 HydrophobicContact CB-CE2 4.33Å; K393-Y397 WeakPolarHBondContact O-CD2 3.33Å; K393-D428 WeakPolarHBondContact CE-OD1 3.49Å; K393-D428 WeakPolarHBondContact CE-OD2 3.28Å; K393-D428 IonicContact NZ-OD1 2.9Å; K393-D428 IonicContact NZ-OD2 3.54Å; K393-D428 PolarHBondContact NZ-OD2 3.35Å; K393-Y432 HydrophobicContact CB-CE2 4.41Å; K393-Y432 HydrophobicContact CD-CE2 4.2Å; K393-Y432 HydrophobicContact CG-CD2 3.84Å; K393-Y432 HydrophobicContact CG-CE1 4.48Å; K393-Y432 HydrophobicContact CG-CE2 3.36Å
394P89.5Confident91.4Very high49 Ų4928.4 Ų28.432%0.31815%0.153SC..Hα-helixtrans-59.7-22-174.324.5-33.6000113.4P392 I396 Y397 S398 V402P392-P394 WeakPolarHBondContact O-CD 3.41Å; P394-I396 VanDerWaalsContact C-N 3.29Å; P394-I396 PolarHBondContact O-N 2.78Å; P394-Y397 CarbonylContact O-C 3.58Å; P394-Y397 PolarHBondContact O-N 3.03Å; P394-Y397 VanDerWaalsContact O-N 3.16Å; P394-S398 WeakPolarHBondContact O-CA 3.19Å; P394-S398 WeakPolarHBondContact O-CB 3.43Å; P394-S398 PolarHBondContact O-N 3.34Å; P394-V402 HydrophobicContact CB-CG1 3.67Å; P394-V402 HydrophobicContact CG-CG1 3.87Å
395S92.4Very high91Very high8 Ų830.1 Ų30.16%0.05616%0.159CC..Hα-helixtrans-57-37.4-177.5-36.80000114.2K393 V402 Y429K393-S395 PolarHBondContact O-N 3.39Å; S395-V402 VanDerWaalsContact OG-CG2 3.27Å; S395-V402 WeakPolarHBondContact OG-CG2 3.42Å; S395-Y429 VanDerWaalsContact CB-CE1 3.49Å; S395-Y429 WeakPolarHBondContact CB-OH 3.37Å; S395-Y429 WeakPolarHBondContact OG-CE1 3.27Å; S395-Y429 PolarHBondContact OG-OH 3.19Å
396I93.6Very high90.6Very high0 Ų030.7 Ų30.70%016%0.162CC..Hα-helixtrans-93.3-15.1-179.556.8172.1000113.1K393 P394 Y429 Y432 L445 G447 V452K393-I396 HydrophobicContact CB-CD1 4.35Å; K393-I396 HydrophobicContact CB-CG1 4.24Å; K393-I396 WeakPolarHBondContact O-CG1 3.26Å; K393-I396 PolarHBondContact O-N 3.24Å; P394-I396 VanDerWaalsContact C-N 3.29Å; P394-I396 PolarHBondContact O-N 2.78Å; I396-Y429 HydrophobicContact CG2-CD1 3.82Å; I396-Y429 HydrophobicContact CG2-CG 3.98Å; I396-Y432 HydrophobicContact CD1-CD1 4.23Å; I396-Y432 HydrophobicContact CD1-CD2 4.43Å; I396-Y432 HydrophobicContact CD1-CG 3.73Å; I396-L445 HydrophobicContact CB-CD2 4.28Å; I396-L445 HydrophobicContact CD1-CD2 4.1Å; I396-L445 HydrophobicContact CG1-CD2 4.49Å; I396-L445 CarbonylContact O-C 3.47Å; I396-L445 WeakPolarHBondContact O-CA 3.49Å; I396-G447 WeakPolarHBondContact O-CA 3.5Å; I396-G447 PolarHBondContact O-N 3.22Å; I396-V452 HydrophobicContact CG2-CG2 3.75Å
397Y92.3Very high90.4Very high0 Ų029.7 Ų29.70%016%0.159CC..Hα-helixtrans-106.7-8.5-177.4-60.6-60000112.5M82 Y373 W377 K393 P394 Y432 E436 K444 L445 V446M82-Y397 WeakPolarHBondContact CA-O 3.44Å; M82-Y397 WeakPolarHBondContact CE-O 3.31Å; Y373-Y397 HydrophobicContact CD2-CD1 4.45Å; Y373-Y397 AromaticContact CD2-CD2 3.61Å; Y373-Y397 HydrophobicContact CD2-CD2 3.61Å; Y373-Y397 HydrophobicContact CD2-CE1 4.48Å; Y373-Y397 AromaticContact CD2-CE2 3.67Å; Y373-Y397 HydrophobicContact CD2-CE2 3.67Å; Y373-Y397 HydrophobicContact CD2-CG 4.07Å; Y373-Y397 HydrophobicContact CE2-CD2 4.15Å; Y373-Y397 HydrophobicContact CE2-CE2 4.22Å; Y373-Y397 HydrophobicContact CG-CD1 4.46Å; Y373-Y397 HydrophobicContact CG-CD2 4.15Å; Y373-Y397 HydrophobicContact CG-CG 4.16Å; W377-Y397 HydrophobicContact CZ2-CE2 4.16Å; K393-Y397 HydrophobicContact CB-CE2 4.33Å; K393-Y397 WeakPolarHBondContact O-CD2 3.33Å; P394-Y397 CarbonylContact O-C 3.58Å; P394-Y397 PolarHBondContact O-N 3.03Å; P394-Y397 VanDerWaalsContact O-N 3.16Å; Y397-Y432 VanDerWaalsContact OH-CD1 3.3Å; Y397-Y432 WeakPolarHBondContact OH-CD1 3.43Å; Y397-E436 PolarHBondContact OH-OE1 2.95Å; Y397-K444 HydrophobicContact CD1-CB 4.41Å; Y397-K444 WeakPolarHBondContact CD1-O 3.19Å; Y397-K444 HydrophobicContact CE1-CB 4.3Å; Y397-L445 HydrophobicContact CE1-CD2 4.04Å; Y397-V446 WeakPolarHBondContact O-CG2 3.39Å
398S90.4Very high90.3Very high3 Ų324.9 Ų24.92%0.02114%0.138CC..  trans-105.1112.5-179175.30000110.5N84 P394 L400 G401 G447N84-S398 WeakPolarHBondContact CB-OG 3.46Å; N84-S398 PolarHBondContact ND2-OG 3.09Å; P394-S398 WeakPolarHBondContact O-CA 3.19Å; P394-S398 WeakPolarHBondContact O-CB 3.43Å; P394-S398 PolarHBondContact O-N 3.34Å; S398-L400 PolarHBondContact O-N 3.17Å; S398-L400 VanDerWaalsContact O-N 3.08Å; S398-G401 PolarHBondContact O-N 2.98Å; S398-G401 PolarHBondContact OG-O 3.24Å; S398-G447 WeakPolarHBondContact O-CA 3.45Å
399S88.8Confident90.3Very high50 Ų5025.3 Ų25.335%0.3514%0.139SC..THydrogen-bonded Turntrans-59-22.2-174.9520000115.7M82 V446M82-S399 WeakPolarHBondContact O-CB 3.31Å; M82-S399 PolarHBondContact O-N 2.9Å; M82-S399 PolarHBondContact O-OG 3.5Å; S399-V446 WeakPolarHBondContact CA-O 3.49Å
400L88.4Confident90.3Very high74 Ų7423.2 Ų23.239%0.38713%0.126SC..THydrogen-bonded Turntrans-109.915.6178.3-52174.5000112.9N84 L87 S398 Y455N84-L400 HydrophobicContact CB-CB 3.94Å; N84-L400 HydrophobicContact CB-CD1 4.27Å; N84-L400 HydrophobicContact CB-CG 4.3Å; L87-L400 HydrophobicContact CB-CD1 4.35Å; L87-L400 HydrophobicContact CD1-CB 4.29Å; L87-L400 HydrophobicContact CD2-CB 3.95Å; L87-L400 HydrophobicContact CD2-CD1 4.03Å; S398-L400 PolarHBondContact O-N 3.17Å; S398-L400 VanDerWaalsContact O-N 3.08Å; L400-Y455 WeakPolarHBondContact O-CE2 3.48Å; L400-Y455 PolarHBondContact O-OH 3.04Å
401G90.6Very high90.1Very high1 Ų124.3 Ų24.31%0.0113%0.133CC..  trans80.4-166.7-179.200000114.7N84 S398 I453N84-G401 PolarHBondContact ND2-O 2.9Å; S398-G401 PolarHBondContact O-N 2.98Å; S398-G401 PolarHBondContact OG-O 3.24Å; G401-I453 CarbonylContact C-O 3.32Å; G401-I453 WeakPolarHBondContact CA-O 3.47Å
402V92.1Very high90.2Very high18 Ų1830.7 Ų30.711%0.10916%0.16CC..EExtended strand (participates in β ladder)trans-139.2144.5-177-64.60000112.6P394 S395 I453 E454 Y455P394-V402 HydrophobicContact CB-CG1 3.67Å; P394-V402 HydrophobicContact CG-CG1 3.87Å; S395-V402 VanDerWaalsContact OG-CG2 3.27Å; S395-V402 WeakPolarHBondContact OG-CG2 3.42Å; V402-I453 PolarHBondContact N-O 3.35Å; V402-E454 HydrophobicContact CG2-CG 4.38Å; V402-E454 CarbonylContact O-C 3.6Å; V402-E454 WeakPolarHBondContact O-CA 3.48Å; V402-Y455 WeakPolarHBondContact O-CD2 3.43Å; V402-Y455 PolarHBondContact O-N 3.18Å
403F91.8Very high90.3Very high31 Ų3129.6 Ų29.614%0.13615%0.153CC..EExtended strand (participates in β ladder)trans-82123.3168.8-69-85.2000109.3L87 K90 Q91 E94 Y455 L462L87-F403 HydrophobicContact CD1-CD2 4.35Å; L87-F403 HydrophobicContact CD1-CE2 3.44Å; L87-F403 VanDerWaalsContact CD1-CE2 3.44Å; L87-F403 HydrophobicContact CD1-CZ 3.96Å; L87-F403 HydrophobicContact CG-CE2 4.12Å; L87-F403 HydrophobicContact CG-CZ 4.47Å; K90-F403 HydrophobicContact CB-CD2 3.53Å; K90-F403 HydrophobicContact CB-CE2 3.72Å; K90-F403 HydrophobicContact CB-CG 4.4Å; K90-F403 HydrophobicContact CD-CD2 4.23Å; Q91-F403 VanDerWaalsContact CA-CZ 3.48Å; Q91-F403 HydrophobicContact CB-CE1 4.05Å; Q91-F403 HydrophobicContact CB-CE2 4.17Å; Q91-F403 HydrophobicContact CB-CZ 3.47Å; Q91-F403 VanDerWaalsContact CB-CZ 3.47Å; Q91-F403 HydrophobicContact CG-CE1 4.15Å; Q91-F403 HydrophobicContact CG-CZ 3.91Å; E94-F403 HydrophobicContact CB-CD1 4.3Å; E94-F403 HydrophobicContact CG-CB 4.05Å; E94-F403 HydrophobicContact CG-CD1 4.14Å; E94-F403 HydrophobicContact CG-CG 4.15Å; F403-Y455 HydrophobicContact CD1-CD2 4.08Å; F403-Y455 AromaticContact CD1-CG 3.89Å; F403-Y455 HydrophobicContact CD1-CG 3.89Å; F403-Y455 HydrophobicContact CD2-CD2 4.2Å; F403-Y455 HydrophobicContact CE1-CD1 4.13Å; F403-Y455 AromaticContact CE1-CD2 3.83Å; F403-Y455 HydrophobicContact CE1-CD2 3.83Å; F403-Y455 AromaticContact CE1-CG 3.52Å; F403-Y455 HydrophobicContact CE1-CG 3.52Å; F403-Y455 HydrophobicContact CE2-CD2 4.03Å; F403-Y455 HydrophobicContact CE2-CE2 4.39Å; F403-Y455 HydrophobicContact CG-CD2 4.21Å; F403-Y455 HydrophobicContact CG-CG 4.46Å; F403-Y455 HydrophobicContact CZ-CD1 4.36Å; F403-Y455 AromaticContact CZ-CD2 3.79Å; F403-Y455 HydrophobicContact CZ-CD2 3.79Å; F403-Y455 HydrophobicContact CZ-CE2 4.25Å; F403-Y455 AromaticContact CZ-CG 3.87Å; F403-Y455 HydrophobicContact CZ-CG 3.87Å; F403-L462 HydrophobicContact CD1-CD1 4.43Å; F403-L462 HydrophobicContact CD1-CD2 4.04Å; F403-L462 HydrophobicContact CE1-CD2 3.61Å; F403-L462 HydrophobicContact CE1-CG 4.36Å
404L92.6Very high90.3Very high24 Ų2430.2 Ų30.213%0.12616%0.16CC..PPolyproline II helixtrans-69.2146.4162.4-55.5-171.6000108.1T406 Y418 E454 Y455L404-T406 PolarHBondContact O-N 3.24Å; L404-Y418 HydrophobicContact CB-CD2 3.8Å; L404-Y418 HydrophobicContact CB-CE1 4.36Å; L404-Y418 HydrophobicContact CB-CE2 3.58Å; L404-Y418 HydrophobicContact CB-CG 4.32Å; L404-Y418 HydrophobicContact CD1-CD1 3.88Å; L404-Y418 HydrophobicContact CD1-CD2 3.66Å; L404-Y418 HydrophobicContact CD1-CE1 4.42Å; L404-Y418 HydrophobicContact CD1-CE2 4.26Å; L404-Y418 HydrophobicContact CD1-CG 3.46Å; L404-Y418 VanDerWaalsContact CD1-CG 3.46Å; L404-Y418 HydrophobicContact CG-CD2 4.4Å; L404-Y418 HydrophobicContact CG-CG 4.5Å; L404-E454 HydrophobicContact CD1-CB 4.45Å; L404-E454 HydrophobicContact CD2-CG 4.28Å; L404-E454 HydrophobicContact CG-CB 4.32Å; L404-Y455 PolarHBondContact N-O 2.9Å
405K86.8Confident90.4Very high67 Ų6729 Ų2929%0.29115%0.15SC..PPolyproline II helixtrans-72.7128.7-170171.7-173.5176.8-171.50110.3R117 S118 V407 Y418R117-K405 WeakPolarHBondContact O-CE 3.43Å; R117-K405 PolarHBondContact O-NZ 2.82Å; S118-K405 PolarHBondContact O-NZ 3.3Å; K405-V407 HydrophobicContact CG-CG1 4.44Å; K405-V407 PolarHBondContact O-N 2.88Å; K405-Y418 WeakPolarHBondContact CB-OH 3.32Å; K405-Y418 PolarHBondContact N-OH 3.27Å; K405-Y418 WeakPolarHBondContact O-CE2 3.28Å; K405-Y418 PolarHBondContact O-OH 2.77Å
406T87.3Confident90.4Very high12 Ų1228.9 Ų28.97%0.07415%0.15CC..PPolyproline II helixtrans-62.4128.6170.9-59.40000110.4E94 L97 L404E94-T406 VanDerWaalsContact OE2-CB 3.25Å; E94-T406 WeakPolarHBondContact OE2-CB 3.45Å; E94-T406 PolarHBondContact OE2-N 3.36Å; E94-T406 VanDerWaalsContact OE2-N 3.14Å; E94-T406 PolarHBondContact OE2-OG1 3.34Å; L97-T406 HydrophobicContact CD2-CG2 4.15Å; L97-T406 HydrophobicContact CG-CG2 4.01Å; L404-T406 PolarHBondContact O-N 3.24Å
407V90Very high90.5Very high5 Ų528.9 Ų28.93%0.0315%0.15CC..  trans-125.9179.3172-61.90000109.8F119 K405 E409 V417 N589F119-V407 HydrophobicContact CD2-CG1 4.28Å; F119-V407 HydrophobicContact CE2-CB 4.29Å; F119-V407 HydrophobicContact CE2-CG1 3.71Å; F119-V407 HydrophobicContact CE2-CG2 3.96Å; F119-V407 HydrophobicContact CZ-CG1 3.84Å; F119-V407 HydrophobicContact CZ-CG2 4.22Å; K405-V407 HydrophobicContact CG-CG1 4.44Å; K405-V407 PolarHBondContact O-N 2.88Å; V407-E409 HydrophobicContact CG2-CG 3.79Å; V407-E409 PolarHBondContact O-N 3.23Å; V407-V417 HydrophobicContact CG2-CG1 4.44Å; V407-V417 HydrophobicContact CG2-CG2 3.56Å; V407-N589 HydrophobicContact CG2-CB 4.42Å
408V90.3Very high90.6Very high1 Ų129.7 Ų29.71%0.00615%0.153CC..  trans-73.3118.7173-175.80000109.1L105 V113 A116 Y580 V585 N589L105-V408 HydrophobicContact CD1-CG1 4.36Å; V113-V408 HydrophobicContact CG1-CG2 4.1Å; A116-V408 HydrophobicContact CB-CG2 4.37Å; V408-Y580 WeakPolarHBondContact CG1-OH 3.19Å; V408-V585 HydrophobicContact CB-CG1 4Å; V408-V585 HydrophobicContact CG1-CG1 3.85Å; V408-N589 PolarHBondContact O-ND2 3.49Å
409E91.4Very high90.7Very high12 Ų1230.4 Ų30.46%0.05616%0.156CC..  trans-133.6149.7-175.5-57.1-170.9-136.400110.4L105 V407 P411 S416 V417 R457L105-E409 WeakPolarHBondContact CD1-O 3.3Å; V407-E409 HydrophobicContact CG2-CG 3.79Å; V407-E409 PolarHBondContact O-N 3.23Å; E409-P411 WeakPolarHBondContact O-CD 3.35Å; E409-S416 PolarHBondContact OE1-OG 2.67Å; E409-S416 WeakPolarHBondContact OE2-CA 3.09Å; E409-S416 WeakPolarHBondContact OE2-CB 3.4Å; E409-S416 PolarHBondContact OE2-OG 3.47Å; E409-V417 HydrophobicContact CG-CG1 3.83Å; E409-V417 HydrophobicContact CG-CG2 4.43Å; E409-V417 PolarHBondContact OE2-N 2.85Å; E409-R457 IonicContact OE1-NE 3.98Å; E409-R457 IonicContact OE2-CZ 3.67Å; E409-R457 IonicContact OE2-NE 2.83Å; E409-R457 PolarHBondContact OE2-NE 3.35Å; E409-R457 IonicContact OE2-NH2 3.24Å; E409-R457 PolarHBondContact OE2-NH2 3.01Å
410D91.4Very high90.9Very high22 Ų2228.3 Ų28.312%0.11814%0.141CC..  trans-69.2119.2174.9179.713.1000110.8K412 C413 A582 D583 H586D410-K412 PolarHBondContact O-N 3.22Å; D410-K412 WeakPolarHBondContact OD1-CB 3.18Å; D410-K412 PolarHBondContact OD1-N 3.35Å; D410-C413 HydrophobicContact CB-CB 4.09Å; D410-C413 PolarHBondContact O-N 2.95Å; D410-C413 VanDerWaalsContact O-N 3.16Å; D410-A582 HydrophobicContact CB-CB 4.33Å; D410-D583 HydrophobicContact CB-CB 4.41Å; D410-H586 HydrophobicContact CB-CB 3.87Å; D410-H586 PolarHBondContact N-ND1 3.49Å
411P89.6Confident91.2Very high24 Ų2424.8 Ų24.816%0.15612%0.123CC..THydrogen-bonded Turntrans-65.8-18.5176.728.3-36.5000113.3L105 K106 E409L105-P411 HydrophobicContact CB-CG 3.96Å; K106-P411 HydrophobicContact CG-CB 4.17Å; K106-P411 HydrophobicContact CG-CG 4.21Å; E409-P411 WeakPolarHBondContact O-CD 3.35Å
412K88.7Confident91.4Very high188 Ų18825 Ų2582%0.81712%0.124SC*.THydrogen-bonded Turntrans-79.5-24175.6-61.4179179.7177.50112.5D410 P414D410-K412 PolarHBondContact O-N 3.22Å; D410-K412 WeakPolarHBondContact OD1-CB 3.18Å; D410-K412 PolarHBondContact OD1-N 3.35Å; K412-P414 WeakPolarHBondContact O-CD 3.42Å
413C89.9Confident91.5Very high7 Ų725.3 Ų25.35%0.04713%0.125CC..  trans-77122.1175.5-177.90000109.5D410 L415 R457D410-C413 HydrophobicContact CB-CB 4.09Å; D410-C413 PolarHBondContact O-N 2.95Å; D410-C413 VanDerWaalsContact O-N 3.16Å; C413-L415 VanDerWaalsContact C-N 3.26Å; C413-L415 PolarHBondContact O-N 3.39Å; C413-L415 PolarHBondContact SG-O 3.11Å; C413-R457 PolarHBondContact O-NH1 2.91Å; C413-R457 PolarHBondContact O-NH2 3.43Å
414P89.4Confident91.7Very high39 Ų3923.9 Ų23.925%0.25312%0.118SC..SBendtrans-68.6-25.5-179.326.4-33.6000112.9K412 Q458 N459K412-P414 WeakPolarHBondContact O-CD 3.42Å; P414-Q458 CarbonylContact O-C 3.45Å; P414-Q458 WeakPolarHBondContact O-CA 3.3Å; P414-Q458 WeakPolarHBondContact O-CG 3.47Å; P414-N459 WeakPolarHBondContact CA-OD1 3.45Å; P414-N459 WeakPolarHBondContact CB-OD1 3.39Å; P414-N459 PolarHBondContact O-N 3.06Å
415L90.5Very high91.9Very high22 Ų2223.7 Ų23.712%0.11512%0.116CC..BIsolated β-bridgetrans-104.4148.4-173.6-60.6172.5000111.3C413 E419 R457 T521 H586C413-L415 VanDerWaalsContact C-N 3.26Å; C413-L415 PolarHBondContact O-N 3.39Å; C413-L415 PolarHBondContact SG-O 3.11Å; L415-E419 HydrophobicContact CB-CB 4.29Å; L415-E419 HydrophobicContact CB-CG 4.48Å; L415-E419 HydrophobicContact CD1-CG 4.13Å; L415-R457 PolarHBondContact O-NH2 2.9Å; L415-T521 HydrophobicContact CD1-CG2 3.99Å; L415-H586 PolarHBondContact O-CE1 3.28Å; L415-H586 VanDerWaalsContact O-CE1 3.26Å
416S93.5Very high92.3Very high6 Ų622.8 Ų22.84%0.04211%0.111CC..  trans-74.1158.2177.6-1790000112.4E409 Y418 E419 T456 R457E409-S416 PolarHBondContact OE1-OG 2.67Å; E409-S416 WeakPolarHBondContact OE2-CA 3.09Å; E409-S416 WeakPolarHBondContact OE2-CB 3.4Å; E409-S416 PolarHBondContact OE2-OG 3.47Å; S416-Y418 PolarHBondContact O-N 3.1Å; S416-Y418 VanDerWaalsContact OG-CD2 3.31Å; S416-Y418 WeakPolarHBondContact OG-CD2 3.44Å; S416-E419 WeakPolarHBondContact O-CB 3.39Å; S416-E419 PolarHBondContact O-N 2.96Å; S416-T456 PolarHBondContact OG-OG1 3.38Å; S416-R457 WeakPolarHBondContact CB-O 3.36Å
417V94.5Very high92.7Very high1 Ų122.2 Ų22.21%0.00611%0.107CC..THydrogen-bonded Turntrans-54.5-20.9171.4-61.40000113.4F119 V407 E409 E419 H586 N589 A590F119-V417 HydrophobicContact CE2-CG2 4.23Å; F119-V417 HydrophobicContact CZ-CG2 4.09Å; V407-V417 HydrophobicContact CG2-CG1 4.44Å; V407-V417 HydrophobicContact CG2-CG2 3.56Å; E409-V417 HydrophobicContact CG-CG1 3.83Å; E409-V417 HydrophobicContact CG-CG2 4.43Å; E409-V417 PolarHBondContact OE2-N 2.85Å; V417-E419 VanDerWaalsContact C-N 3.27Å; V417-E419 PolarHBondContact O-N 3.37Å; V417-H586 HydrophobicContact CG1-CB 4.45Å; V417-H586 WeakPolarHBondContact CG1-ND1 3.2Å; V417-H586 WeakPolarHBondContact CG1-O 3.31Å; V417-N589 HydrophobicContact CB-CB 4.43Å; V417-N589 HydrophobicContact CG1-CB 3.97Å; V417-A590 HydrophobicContact CB-CB 4.05Å; V417-A590 HydrophobicContact CG1-CB 4.45Å
418Y94.8Very high93Very high17 Ų1722.4 Ų22.47%0.06711%0.108CC..THydrogen-bonded Turntrans-72.5-18.3177.3-68.3-70.2000113.3F119 L404 K405 S416 T420 S421 L422 R425 S593F119-Y418 AromaticContact CE1-CE1 3.49Å; F119-Y418 HydrophobicContact CE1-CE1 3.49Å; F119-Y418 VanDerWaalsContact CE1-CE1 3.49Å; F119-Y418 AromaticContact CE1-CZ 3.62Å; F119-Y418 WeakPolarHBondContact CE1-OH 3.48Å; F119-Y418 HydrophobicContact CZ-CD1 4.49Å; F119-Y418 AromaticContact CZ-CE1 3.62Å; F119-Y418 HydrophobicContact CZ-CE1 3.62Å; F119-Y418 HydrophobicContact CZ-CE2 4.36Å; F119-Y418 AromaticContact CZ-CZ 3.53Å; F119-Y418 WeakPolarHBondContact CZ-OH 3.48Å; L404-Y418 HydrophobicContact CB-CD2 3.8Å; L404-Y418 HydrophobicContact CB-CE1 4.36Å; L404-Y418 HydrophobicContact CB-CE2 3.58Å; L404-Y418 HydrophobicContact CB-CG 4.32Å; L404-Y418 HydrophobicContact CD1-CD1 3.88Å; L404-Y418 HydrophobicContact CD1-CD2 3.66Å; L404-Y418 HydrophobicContact CD1-CE1 4.42Å; L404-Y418 HydrophobicContact CD1-CE2 4.26Å; L404-Y418 HydrophobicContact CD1-CG 3.46Å; L404-Y418 VanDerWaalsContact CD1-CG 3.46Å; L404-Y418 HydrophobicContact CG-CD2 4.4Å; L404-Y418 HydrophobicContact CG-CG 4.5Å; K405-Y418 WeakPolarHBondContact CB-OH 3.32Å; K405-Y418 PolarHBondContact N-OH 3.27Å; K405-Y418 WeakPolarHBondContact O-CE2 3.28Å; K405-Y418 PolarHBondContact O-OH 2.77Å; S416-Y418 PolarHBondContact O-N 3.1Å; S416-Y418 VanDerWaalsContact OG-CD2 3.31Å; S416-Y418 WeakPolarHBondContact OG-CD2 3.44Å; Y418-T420 VanDerWaalsContact C-N 3.34Å; Y418-T420 PolarHBondContact O-N 3.36Å; Y418-S421 PolarHBondContact O-N 2.91Å; Y418-S421 VanDerWaalsContact O-N 3.08Å; Y418-S421 PolarHBondContact O-OG 3.22Å; Y418-L422 PolarHBondContact O-N 2.87Å; Y418-R425 PolarHBondContact O-NH1 3.05Å; Y418-S593 WeakPolarHBondContact CD1-OG 3.48Å
419E92.9Very high93.3Very high18 Ų1822.8 Ų22.88%0.08411%0.109CC..G310 helixtrans-57.7-46-176.3-170.866.9-170.900111.9L415 S416 V417 S421 L422 Y703L415-E419 HydrophobicContact CB-CB 4.29Å; L415-E419 HydrophobicContact CB-CG 4.48Å; L415-E419 HydrophobicContact CD1-CG 4.13Å; S416-E419 WeakPolarHBondContact O-CB 3.39Å; S416-E419 PolarHBondContact O-N 2.96Å; V417-E419 VanDerWaalsContact C-N 3.27Å; V417-E419 PolarHBondContact O-N 3.37Å; E419-S421 PolarHBondContact O-N 3.25Å; E419-L422 WeakPolarHBondContact O-CB 3.32Å; E419-L422 PolarHBondContact O-N 3.46Å; E419-Y703 PolarHBondContact OE1-OH 3.5Å; E419-Y703 PolarHBondContact OE2-OH 3.36Å
420T93.2Very high93.6Very high6 Ų623 Ų234%0.03711%0.11CC..G310 helixtrans-66.2-13.7-177.866.80000113.8Y418 F513 Q517 L518 A590 T594Y418-T420 VanDerWaalsContact C-N 3.34Å; Y418-T420 PolarHBondContact O-N 3.36Å; T420-F513 WeakPolarHBondContact O-CE1 3.43Å; T420-Q517 HydrophobicContact CG2-CB 4.29Å; T420-L518 HydrophobicContact CG2-CD2 3.92Å; T420-A590 HydrophobicContact CG2-CB 4.36Å; T420-T594 PolarHBondContact OG1-OG1 3.47Å
421S95Very high93.8Very high0 Ų022 Ų220%011%0.105CC..G310 helixtrans-107.82.4178.456.30000113.1Y418 E419 L423 I424 R425 S593Y418-S421 PolarHBondContact O-N 2.91Å; Y418-S421 VanDerWaalsContact O-N 3.08Å; Y418-S421 PolarHBondContact O-OG 3.22Å; E419-S421 PolarHBondContact O-N 3.25Å; S421-L423 PolarHBondContact O-N 3.18Å; S421-I424 PolarHBondContact O-N 2.88Å; S421-R425 WeakPolarHBondContact O-CG 3.31Å; S421-R425 PolarHBondContact O-N 3.37Å; S421-R425 PolarHBondContact O-NH1 3.45Å; S421-R425 PolarHBondContact OG-NH1 3.13Å; S421-S593 PolarHBondContact OG-OG 3.4Å
422L94.3Very high94.1Very high5 Ų520.8 Ų20.83%0.02610%0.097CC..Hα-helixtrans-56.2-50.9-174.7173.669.5000112.7Y418 E419 I424 R425 R426 I467 F702 Y703Y418-L422 PolarHBondContact O-N 2.87Å; E419-L422 WeakPolarHBondContact O-CB 3.32Å; E419-L422 PolarHBondContact O-N 3.46Å; L422-I424 VanDerWaalsContact C-N 3.25Å; L422-I424 PolarHBondContact O-N 2.99Å; L422-R425 PolarHBondContact O-N 2.96Å; L422-R426 WeakPolarHBondContact O-CB 3.26Å; L422-R426 PolarHBondContact O-N 3.39Å; L422-I467 HydrophobicContact CD1-CD1 3.79Å; L422-I467 HydrophobicContact CD1-CG1 4.34Å; L422-F702 HydrophobicContact CD2-CB 4.28Å; L422-Y703 HydrophobicContact CD2-CD1 3.41Å; L422-Y703 VanDerWaalsContact CD2-CD1 3.41Å; L422-Y703 HydrophobicContact CD2-CE1 3.3Å
423L93.8Very high94.5Very high25 Ų2512.2 Ų12.213%0.1316%0.061CC..Hα-helixtrans-62.9-34.4-177.6-64.9-178.9000112.2S421 L427 L489 F513 F702S421-L423 PolarHBondContact O-N 3.18Å; L423-L427 WeakPolarHBondContact O-CB 3.22Å; L423-L427 PolarHBondContact O-N 3.21Å; L423-L489 HydrophobicContact CB-CD2 4.39Å; L423-F513 HydrophobicContact CB-CZ 4.13Å; L423-F513 HydrophobicContact CD1-CZ 4.45Å; L423-F702 HydrophobicContact CD2-CD1 3.97Å; L423-F702 HydrophobicContact CD2-CD2 3.92Å; L423-F702 HydrophobicContact CD2-CE1 3.97Å; L423-F702 HydrophobicContact CD2-CE2 3.96Å; L423-F702 HydrophobicContact CD2-CG 3.96Å; L423-F702 HydrophobicContact CD2-CZ 3.99Å
424I96.4Very high94.8Very high1 Ų112 Ų121%0.0056%0.059CC..Hα-helixtrans-69.4-46175.9-57.8168.3000110.3S421 L422 R426 L427 D428 L489 F513 T594 S597 L598 V601S421-I424 PolarHBondContact O-N 2.88Å; L422-I424 VanDerWaalsContact C-N 3.25Å; L422-I424 PolarHBondContact O-N 2.99Å; I424-R426 VanDerWaalsContact C-N 3.3Å; I424-R426 PolarHBondContact O-N 3.25Å; I424-L427 PolarHBondContact O-N 2.97Å; I424-D428 PolarHBondContact O-N 3Å; I424-L489 HydrophobicContact CG1-CD1 3.98Å; I424-L489 HydrophobicContact CG1-CD2 4.22Å; I424-F513 HydrophobicContact CD1-CD1 3.8Å; I424-F513 HydrophobicContact CD1-CE1 3.62Å; I424-F513 HydrophobicContact CD1-CG 4.44Å; I424-F513 HydrophobicContact CD1-CZ 4.16Å; I424-F513 HydrophobicContact CG1-CD1 4.41Å; I424-F513 HydrophobicContact CG1-CE1 3.78Å; I424-F513 HydrophobicContact CG1-CZ 3.86Å; I424-T594 HydrophobicContact CD1-CG2 3.81Å; I424-S597 VanDerWaalsContact CG2-C 3.49Å; I424-L598 HydrophobicContact CD1-CB 4.22Å; I424-V601 HydrophobicContact CG2-CB 4.43Å; I424-V601 HydrophobicContact CG2-CG2 3.76Å
425R95.7Very high95.1Very high20 Ų2010.3 Ų10.38%0.0755%0.048CC..Hα-helixtrans-61.8-39.4175.6-67.8-162.7-49.8-71.12111.8Y418 S421 L422 D428 Y429 E454Y418-R425 PolarHBondContact O-NH1 3.05Å; S421-R425 WeakPolarHBondContact O-CG 3.31Å; S421-R425 PolarHBondContact O-N 3.37Å; S421-R425 PolarHBondContact O-NH1 3.45Å; S421-R425 PolarHBondContact OG-NH1 3.13Å; L422-R425 PolarHBondContact O-N 2.96Å; R425-D428 WeakPolarHBondContact O-CB 3.29Å; R425-D428 PolarHBondContact O-N 3.11Å; R425-Y429 HydrophobicContact CB-CE2 4.3Å; R425-Y429 VanDerWaalsContact O-CD2 3.25Å; R425-Y429 WeakPolarHBondContact O-CD2 3.4Å; R425-Y429 VanDerWaalsContact O-CG 3.28Å; R425-Y429 PolarHBondContact O-N 3.43Å; R425-E454 IonicContact CZ-OE1 3.71Å; R425-E454 IonicContact CZ-OE2 2.67Å; R425-E454 IonicContact NE-OE1 3.71Å; R425-E454 PolarHBondContact NE-OE1 3.02Å; R425-E454 IonicContact NE-OE2 3.39Å; R425-E454 PolarHBondContact NE-OE2 2.9Å; R425-E454 IonicContact NH2-OE1 2.86Å; R425-E454 IonicContact NH2-OE2 2.61Å; R425-E454 PolarHBondContact NH2-OE2 3.32Å
426R95.3Very high95.4Very high47 Ų479.2 Ų9.218%0.1774%0.042CC..Hα-helixtrans-61.9-47.7175.5-178171.4172.4-108.82111L422 I424 D428 Y429 Q430 I467 P468L422-R426 WeakPolarHBondContact O-CB 3.26Å; L422-R426 PolarHBondContact O-N 3.39Å; I424-R426 VanDerWaalsContact C-N 3.3Å; I424-R426 PolarHBondContact O-N 3.25Å; R426-D428 VanDerWaalsContact C-N 3.28Å; R426-D428 PolarHBondContact O-N 3.39Å; R426-Y429 WeakPolarHBondContact O-CB 3.41Å; R426-Y429 PolarHBondContact O-N 3.06Å; R426-Y429 VanDerWaalsContact O-N 3.11Å; R426-Q430 VanDerWaalsContact O-CG 3.31Å; R426-Q430 WeakPolarHBondContact O-CG 3.46Å; R426-Q430 PolarHBondContact O-N 3.29Å; R426-I467 HydrophobicContact CB-CG2 4.43Å; R426-I467 HydrophobicContact CG-CG2 4.15Å; R426-P468 PolarHBondContact NE-O 3.37Å
427L96.1Very high95.4Very high1 Ų110 Ų101%0.0055%0.048CC..Hα-helixtrans-57.2-42.5174.4175.856.2000111.7L423 I424 Y429 Q430 I431 I472 V484 I485 N488 L489 V601L423-L427 WeakPolarHBondContact O-CB 3.22Å; L423-L427 PolarHBondContact O-N 3.21Å; I424-L427 PolarHBondContact O-N 2.97Å; L427-Y429 VanDerWaalsContact C-N 3.32Å; L427-Y429 PolarHBondContact O-N 2.81Å; L427-Q430 PolarHBondContact O-N 2.97Å; L427-Q430 VanDerWaalsContact O-N 3.13Å; L427-I431 HydrophobicContact CD1-CD1 4.06Å; L427-I431 HydrophobicContact CD1-CG1 4.14Å; L427-I431 HydrophobicContact CG-CD1 3.89Å; L427-I431 HydrophobicContact CG-CG1 4.48Å; L427-I431 WeakPolarHBondContact O-CD1 3.28Å; L427-I431 VanDerWaalsContact O-CG1 3.31Å; L427-I431 WeakPolarHBondContact O-CG1 3.23Å; L427-I431 PolarHBondContact O-N 3.06Å; L427-I472 HydrophobicContact CD1-CD1 3.77Å; L427-V484 HydrophobicContact CD1-CG1 4.49Å; L427-I485 HydrophobicContact CD2-CD1 4.18Å; L427-N488 HydrophobicContact CD1-CB 3.56Å; L427-N488 HydrophobicContact CD2-CB 3.9Å; L427-N488 HydrophobicContact CG-CB 4.32Å; L427-L489 HydrophobicContact CB-CD2 4.31Å; L427-L489 HydrophobicContact CD2-CD1 4.32Å; L427-L489 HydrophobicContact CD2-CD2 3.85Å; L427-L489 HydrophobicContact CD2-CG 3.81Å; L427-V601 HydrophobicContact CD2-CG1 4.29Å; L427-V601 HydrophobicContact CG-CG1 4.38Å
428D96.2Very high95.4Very high8 Ų813.4 Ų13.44%0.0437%0.072CC..Hα-helixtrans-53.3-49.6174-155.93.9000111.3K393 I424 R425 R426 Q430 I431 Y432 V601K393-D428 WeakPolarHBondContact CE-OD1 3.49Å; K393-D428 WeakPolarHBondContact CE-OD2 3.28Å; K393-D428 IonicContact NZ-OD1 2.9Å; K393-D428 IonicContact NZ-OD2 3.54Å; K393-D428 PolarHBondContact NZ-OD2 3.35Å; I424-D428 PolarHBondContact O-N 3Å; R425-D428 WeakPolarHBondContact O-CB 3.29Å; R425-D428 PolarHBondContact O-N 3.11Å; R426-D428 VanDerWaalsContact C-N 3.28Å; R426-D428 PolarHBondContact O-N 3.39Å; D428-Q430 PolarHBondContact O-N 3.31Å; D428-I431 PolarHBondContact O-N 2.77Å; D428-Y432 WeakPolarHBondContact O-CD2 3.26Å; D428-Y432 PolarHBondContact O-N 3.07Å; D428-V601 HydrophobicContact CB-CG2 3.52Å
429Y97.1Very high95.4Very high9 Ų915.3 Ų15.34%0.0358%0.083CC..Hα-helixtrans-61.5-43.3176.5-55-33.2000112.1S395 I396 R425 R426 L427 I431 Y432 V433 V452 E454 V469S395-Y429 VanDerWaalsContact CB-CE1 3.49Å; S395-Y429 WeakPolarHBondContact CB-OH 3.37Å; S395-Y429 WeakPolarHBondContact OG-CE1 3.27Å; S395-Y429 PolarHBondContact OG-OH 3.19Å; I396-Y429 HydrophobicContact CG2-CD1 3.82Å; I396-Y429 HydrophobicContact CG2-CG 3.98Å; R425-Y429 HydrophobicContact CB-CE2 4.3Å; R425-Y429 VanDerWaalsContact O-CD2 3.25Å; R425-Y429 WeakPolarHBondContact O-CD2 3.4Å; R425-Y429 VanDerWaalsContact O-CG 3.28Å; R425-Y429 PolarHBondContact O-N 3.43Å; R426-Y429 WeakPolarHBondContact O-CB 3.41Å; R426-Y429 PolarHBondContact O-N 3.06Å; R426-Y429 VanDerWaalsContact O-N 3.11Å; L427-Y429 VanDerWaalsContact C-N 3.32Å; L427-Y429 PolarHBondContact O-N 2.81Å; Y429-I431 VanDerWaalsContact C-N 3.3Å; Y429-I431 PolarHBondContact O-N 3.44Å; Y429-Y432 PolarHBondContact O-N 3.27Å; Y429-V433 VanDerWaalsContact O-CG2 3.32Å; Y429-V433 WeakPolarHBondContact O-CG2 3.32Å; Y429-V433 PolarHBondContact O-N 3.02Å; Y429-V452 HydrophobicContact CD2-CB 4.37Å; Y429-V452 HydrophobicContact CD2-CG1 4Å; Y429-V452 HydrophobicContact CD2-CG2 4.31Å; Y429-V452 HydrophobicContact CE2-CG1 3.83Å; Y429-V452 HydrophobicContact CG-CG2 4.46Å; Y429-E454 WeakPolarHBondContact CE2-OE1 3.42Å; Y429-E454 PolarHBondContact OH-OE1 3.29Å; Y429-V469 HydrophobicContact CD2-CG2 4.08Å; Y429-V469 HydrophobicContact CG-CG2 4.42Å
430Q96.7Very high95.4Very high17 Ų1719 Ų198%0.07911%0.11CC..Hα-helixtrans-62.8-36.4179-65.2-179.9-77.300112.3R426 L427 D428 V433 S434 V469 K470 I472R426-Q430 VanDerWaalsContact O-CG 3.31Å; R426-Q430 WeakPolarHBondContact O-CG 3.46Å; R426-Q430 PolarHBondContact O-N 3.29Å; L427-Q430 PolarHBondContact O-N 2.97Å; L427-Q430 VanDerWaalsContact O-N 3.13Å; D428-Q430 PolarHBondContact O-N 3.31Å; Q430-V433 PolarHBondContact O-N 3.08Å; Q430-S434 WeakPolarHBondContact O-CB 2.96Å; Q430-S434 PolarHBondContact O-N 2.6Å; Q430-S434 PolarHBondContact O-OG 2.98Å; Q430-V469 HydrophobicContact CB-CG1 4.45Å; Q430-V469 HydrophobicContact CG-CG1 3.73Å; Q430-K470 VanDerWaalsContact CG-O 3.3Å; Q430-K470 WeakPolarHBondContact CG-O 3.46Å; Q430-K470 PolarHBondContact NE2-O 2.86Å; Q430-I472 HydrophobicContact CB-CD1 3.89Å; Q430-I472 HydrophobicContact CB-CG1 3.95Å; Q430-I472 HydrophobicContact CB-CG2 4.42Å
431I97.2Very high95.4Very high0 Ų020.8 Ų20.80%012%0.119CC..Hα-helixtrans-62.8-47.8175.4-70.5158.4000110.5L427 D428 Y429 S434 L435 I472 L474 F476 V601 L605 L608L427-I431 HydrophobicContact CD1-CD1 4.06Å; L427-I431 HydrophobicContact CD1-CG1 4.14Å; L427-I431 HydrophobicContact CG-CD1 3.89Å; L427-I431 HydrophobicContact CG-CG1 4.48Å; L427-I431 WeakPolarHBondContact O-CD1 3.28Å; L427-I431 VanDerWaalsContact O-CG1 3.31Å; L427-I431 WeakPolarHBondContact O-CG1 3.23Å; L427-I431 PolarHBondContact O-N 3.06Å; D428-I431 PolarHBondContact O-N 2.77Å; Y429-I431 VanDerWaalsContact C-N 3.3Å; Y429-I431 PolarHBondContact O-N 3.44Å; I431-S434 PolarHBondContact O-N 2.71Å; I431-L435 WeakPolarHBondContact O-CB 3.37Å; I431-L435 PolarHBondContact O-N 2.78Å; I431-I472 HydrophobicContact CG1-CD1 4.33Å; I431-L474 HydrophobicContact CG1-CD1 4.15Å; I431-F476 HydrophobicContact CG2-CE1 4.34Å; I431-F476 HydrophobicContact CG2-CZ 4.43Å; I431-V601 HydrophobicContact CD1-CG1 3.62Å; I431-L605 HydrophobicContact CD1-CD1 3.91Å; I431-L605 HydrophobicContact CD1-CD2 3.72Å; I431-L605 HydrophobicContact CD1-CG 3.75Å; I431-L605 HydrophobicContact CG1-CD2 3.98Å; I431-L605 HydrophobicContact CG2-CD2 4.06Å; I431-L608 HydrophobicContact CG2-CD1 3.73Å
432Y95.9Very high95.2Very high0 Ų025 Ų250%014%0.138CC..Hα-helixtrans-67.6-38.1178.2-84.8-84.6000112.8W377 L381 K393 I396 Y397 D428 Y429 S434 L435 E436 T604W377-Y432 AromaticContact CH2-CE1 3.92Å; W377-Y432 HydrophobicContact CH2-CE1 3.92Å; W377-Y432 HydrophobicContact CZ2-CD1 4.22Å; W377-Y432 AromaticContact CZ2-CE1 3.62Å; W377-Y432 HydrophobicContact CZ2-CE1 3.62Å; L381-Y432 HydrophobicContact CD2-CE1 4.47Å; K393-Y432 HydrophobicContact CB-CE2 4.41Å; K393-Y432 HydrophobicContact CD-CE2 4.2Å; K393-Y432 HydrophobicContact CG-CD2 3.84Å; K393-Y432 HydrophobicContact CG-CE1 4.48Å; K393-Y432 HydrophobicContact CG-CE2 3.36Å; I396-Y432 HydrophobicContact CD1-CD1 4.23Å; I396-Y432 HydrophobicContact CD1-CD2 4.43Å; I396-Y432 HydrophobicContact CD1-CG 3.73Å; Y397-Y432 VanDerWaalsContact OH-CD1 3.3Å; Y397-Y432 WeakPolarHBondContact OH-CD1 3.43Å; D428-Y432 WeakPolarHBondContact O-CD2 3.26Å; D428-Y432 PolarHBondContact O-N 3.07Å; Y429-Y432 PolarHBondContact O-N 3.27Å; Y432-S434 VanDerWaalsContact C-N 3.26Å; Y432-S434 PolarHBondContact O-N 2.92Å; Y432-L435 HydrophobicContact CD1-CD2 4.17Å; Y432-L435 HydrophobicContact CE1-CD2 4.45Å; Y432-L435 WeakPolarHBondContact O-CB 3.49Å; Y432-L435 PolarHBondContact O-N 3.02Å; Y432-E436 WeakPolarHBondContact O-CG 3.4Å; Y432-E436 PolarHBondContact O-N 3.27Å; Y432-T604 HydrophobicContact CE2-CG2 3.72Å
433V96Very high95.1Very high7 Ų730 Ų304%0.04217%0.165CC..Hα-helixtrans-58.3-44.1172.7171.10000110.4Y429 Q430 E436 S437 L445 L448 V469 Q471Y429-V433 VanDerWaalsContact O-CG2 3.32Å; Y429-V433 WeakPolarHBondContact O-CG2 3.32Å; Y429-V433 PolarHBondContact O-N 3.02Å; Q430-V433 PolarHBondContact O-N 3.08Å; V433-E436 PolarHBondContact O-N 3.33Å; V433-S437 WeakPolarHBondContact O-CB 3.36Å; V433-S437 PolarHBondContact O-N 2.89Å; V433-S437 PolarHBondContact O-OG 3.01Å; V433-L445 HydrophobicContact CB-CD1 4.39Å; V433-L445 HydrophobicContact CG1-CD1 4.28Å; V433-L445 HydrophobicContact CG2-CD1 4.13Å; V433-L448 HydrophobicContact CG1-CD2 4.33Å; V433-L448 HydrophobicContact CG2-CD2 3.81Å; V433-V469 HydrophobicContact CG2-CG1 3.83Å; V433-Q471 HydrophobicContact CG1-CB 4.01Å; V433-Q471 HydrophobicContact CG1-CG 4.45Å
434S96.3Very high94.9Very high3 Ų329.1 Ų29.12%0.02116%0.16CC..Hα-helixtrans-67.5-37.1179-49.30000112.3Q430 I431 Y432 S438 I472Q430-S434 WeakPolarHBondContact O-CB 2.96Å; Q430-S434 PolarHBondContact O-N 2.6Å; Q430-S434 PolarHBondContact O-OG 2.98Å; I431-S434 PolarHBondContact O-N 2.71Å; Y432-S434 VanDerWaalsContact C-N 3.26Å; Y432-S434 PolarHBondContact O-N 2.92Å; S434-S438 WeakPolarHBondContact O-CB 3.43Å; S434-S438 PolarHBondContact O-N 3.47Å; S434-I472 WeakPolarHBondContact CB-O 3.49Å; S434-I472 WeakPolarHBondContact OG-CG1 3.44Å; S434-I472 PolarHBondContact OG-N 3.5Å; S434-I472 VanDerWaalsContact OG-N 3.17Å; S434-I472 PolarHBondContact OG-O 2.87Å
435L96.3Very high94.7Very high3 Ų329.7 Ų29.72%0.01616%0.163CC..Hα-helixtrans-59.6-54.2171.1174.564.5000111P378 L381 I431 Y432 S437 S438 L439 F476 L608P378-L435 HydrophobicContact CG-CD1 4.25Å; L381-L435 HydrophobicContact CD2-CD2 3.62Å; I431-L435 WeakPolarHBondContact O-CB 3.37Å; I431-L435 PolarHBondContact O-N 2.78Å; Y432-L435 HydrophobicContact CD1-CD2 4.17Å; Y432-L435 HydrophobicContact CE1-CD2 4.45Å; Y432-L435 WeakPolarHBondContact O-CB 3.49Å; Y432-L435 PolarHBondContact O-N 3.02Å; L435-S437 VanDerWaalsContact C-N 3.3Å; L435-S437 PolarHBondContact O-N 3.24Å; L435-S438 PolarHBondContact O-N 3.34Å; L435-S438 VanDerWaalsContact O-N 3.1Å; L435-S438 PolarHBondContact O-OG 3.46Å; L435-L439 HydrophobicContact CD1-CD1 3.93Å; L435-L439 HydrophobicContact CD1-CG 4.4Å; L435-L439 HydrophobicContact CG-CD1 4.08Å; L435-L439 WeakPolarHBondContact O-CG 3.43Å; L435-L439 PolarHBondContact O-N 3.12Å; L435-L439 VanDerWaalsContact O-N 3.15Å; L435-F476 HydrophobicContact CB-CE2 4.21Å; L435-F476 HydrophobicContact CB-CZ 4.32Å; L435-F476 HydrophobicContact CD1-CE2 4.43Å; L435-L608 HydrophobicContact CD1-CD2 3.76Å; L435-L608 HydrophobicContact CD2-CD2 4.07Å; L435-L608 HydrophobicContact CG-CD2 4.49Å
436E95.5Very high94.6Very high0 Ų031 Ų310%017%0.174CC..Hα-helixtrans-66-34.5-176-61.5-53.6177.300112.6W377 Y397 Y432 V433 L439 S440 M441 K444 L445W377-E436 PolarHBondContact NE1-OE1 3.37Å; Y397-E436 PolarHBondContact OH-OE1 2.95Å; Y432-E436 WeakPolarHBondContact O-CG 3.4Å; Y432-E436 PolarHBondContact O-N 3.27Å; V433-E436 PolarHBondContact O-N 3.33Å; E436-L439 CarbonylContact O-C 3.57Å; E436-L439 PolarHBondContact O-N 2.85Å; E436-S440 PolarHBondContact O-N 3.31Å; E436-S440 VanDerWaalsContact O-N 3.11Å; E436-M441 PolarHBondContact O-N 2.74Å; E436-K444 WeakPolarHBondContact OE1-CE 3.09Å; E436-K444 IonicContact OE1-NZ 3.72Å; E436-K444 PolarHBondContact OE1-NZ 3.16Å; E436-K444 WeakPolarHBondContact OE2-CE 3.48Å; E436-K444 IonicContact OE2-NZ 3.06Å; E436-K444 PolarHBondContact OE2-NZ 3.27Å; E436-L445 HydrophobicContact CB-CD1 4.06Å; E436-L445 HydrophobicContact CB-CD2 4.22Å; E436-L445 HydrophobicContact CB-CG 4.13Å; E436-L445 HydrophobicContact CG-CD2 3.79Å; E436-L445 HydrophobicContact CG-CG 4.19Å
437S94.5Very high94.4Very high23 Ų2329 Ų2916%0.16117%0.167CC..Hα-helixtrans-65.2-40170.6-73.90000113.5V433 L435 L439 S440 E442V433-S437 WeakPolarHBondContact O-CB 3.36Å; V433-S437 PolarHBondContact O-N 2.89Å; V433-S437 PolarHBondContact O-OG 3.01Å; L435-S437 VanDerWaalsContact C-N 3.3Å; L435-S437 PolarHBondContact O-N 3.24Å; S437-L439 PolarHBondContact O-N 3.19Å; S437-S440 PolarHBondContact O-N 3.45Å; S437-S440 VanDerWaalsContact O-N 3.1Å; S437-E442 VanDerWaalsContact CA-OE1 3.23Å; S437-E442 WeakPolarHBondContact CA-OE1 3.45Å; S437-E442 WeakPolarHBondContact CB-OE1 3.38Å; S437-E442 VanDerWaalsContact OG-CG 3.28Å; S437-E442 WeakPolarHBondContact OG-CG 3.31Å; S437-E442 PolarHBondContact OG-OE1 2.96Å
438S94.5Very high94.3Very high71 Ų7131 Ų3150%0.49718%0.178SC..Hα-helixtrans-63.3-22.5174.975.60000113.2S434 L435S434-S438 WeakPolarHBondContact O-CB 3.43Å; S434-S438 PolarHBondContact O-N 3.47Å; L435-S438 PolarHBondContact O-N 3.34Å; L435-S438 VanDerWaalsContact O-N 3.1Å; L435-S438 PolarHBondContact O-OG 3.46Å
439L94Very high93.9Very high58 Ų5837.1 Ų37.130%0.30421%0.21SC..THydrogen-bonded Turntrans-96.2-4.2178.1-62.2171.8000113.1G376 L435 E436 S437 M441G376-L439 VanDerWaalsContact O-CD1 3.27Å; G376-L439 WeakPolarHBondContact O-CD1 3.49Å; L435-L439 HydrophobicContact CD1-CD1 3.93Å; L435-L439 HydrophobicContact CD1-CG 4.4Å; L435-L439 HydrophobicContact CG-CD1 4.08Å; L435-L439 WeakPolarHBondContact O-CG 3.43Å; L435-L439 PolarHBondContact O-N 3.12Å; L435-L439 VanDerWaalsContact O-N 3.15Å; E436-L439 CarbonylContact O-C 3.57Å; E436-L439 PolarHBondContact O-N 2.85Å; S437-L439 PolarHBondContact O-N 3.19Å; L439-M441 VanDerWaalsContact C-N 3.26Å; L439-M441 HydrophobicContact CB-CB 4.33Å; L439-M441 HydrophobicContact CB-CG 3.95Å; L439-M441 WeakPolarHBondContact O-CG 3.27Å; L439-M441 PolarHBondContact O-N 2.93Å
440S93.9Very high93.6Very high95 Ų9541.3 Ų41.366%0.66424%0.239SC*.THydrogen-bonded Turntrans5638.3-170.6-53.40000113.2E436 S437 E442E436-S440 PolarHBondContact O-N 3.31Å; E436-S440 VanDerWaalsContact O-N 3.11Å; S437-S440 PolarHBondContact O-N 3.45Å; S437-S440 VanDerWaalsContact O-N 3.1Å; S440-E442 VanDerWaalsContact C-OE2 3.26Å; S440-E442 WeakPolarHBondContact CA-OE2 3.41Å
441M92.5Very high93.4Very high43 Ų4342.1 Ų42.121%0.21224%0.244CC..  trans-121.830.9-176.6-60.7-70-65.900112.5E436 L439 N443 K444E436-M441 PolarHBondContact O-N 2.74Å; L439-M441 VanDerWaalsContact C-N 3.26Å; L439-M441 HydrophobicContact CB-CB 4.33Å; L439-M441 HydrophobicContact CB-CG 3.95Å; L439-M441 WeakPolarHBondContact O-CG 3.27Å; L439-M441 PolarHBondContact O-N 2.93Å; M441-N443 VanDerWaalsContact C-OD1 3.28Å; M441-N443 WeakPolarHBondContact CA-OD1 3.3Å; M441-N443 PolarHBondContact O-N 3.38Å; M441-N443 VanDerWaalsContact O-N 3.13Å; M441-N443 PolarHBondContact O-OD1 3.42Å; M441-K444 HydrophobicContact CB-CD 4.17Å; M441-K444 VanDerWaalsContact CB-CE 3.49Å; M441-K444 HydrophobicContact CB-CG 4.44Å; M441-K444 HydrophobicContact CE-CD 3.91Å; M441-K444 HydrophobicContact CE-CG 4.34Å; M441-K444 WeakPolarHBondContact O-CB 3.27Å; M441-K444 WeakPolarHBondContact O-CE 3.38Å; M441-K444 WeakPolarHBondContact O-CG 3.18Å; M441-K444 PolarHBondContact O-N 2.87Å; M441-K444 VanDerWaalsContact O-N 3.1Å
442E91.8Very high93.4Very high88 Ų8842.1 Ų42.141%0.41124%0.244SC..G310 helixtrans-61.5-20.5179.7-61.795.6147.300113.1S437 S440 K444 L445S437-E442 VanDerWaalsContact CA-OE1 3.23Å; S437-E442 WeakPolarHBondContact CA-OE1 3.45Å; S437-E442 WeakPolarHBondContact CB-OE1 3.38Å; S437-E442 VanDerWaalsContact OG-CG 3.28Å; S437-E442 WeakPolarHBondContact OG-CG 3.31Å; S437-E442 PolarHBondContact OG-OE1 2.96Å; S440-E442 VanDerWaalsContact C-OE2 3.26Å; S440-E442 WeakPolarHBondContact CA-OE2 3.41Å; E442-K444 PolarHBondContact O-N 3.32Å; E442-K444 VanDerWaalsContact O-N 3.07Å; E442-L445 HydrophobicContact CB-CD1 4.3Å; E442-L445 HydrophobicContact CG-CD1 4.41Å; E442-L445 VanDerWaalsContact O-CB 3.31Å; E442-L445 WeakPolarHBondContact O-CB 3.25Å; E442-L445 PolarHBondContact O-N 3Å
443N90.8Very high93.3Very high110 Ų11043.4 Ų43.459%0.58825%0.25SS*.G310 helixtrans-57-22.4173.768.3-61.7000113.1M441 L445M441-N443 VanDerWaalsContact C-OD1 3.28Å; M441-N443 WeakPolarHBondContact CA-OD1 3.3Å; M441-N443 PolarHBondContact O-N 3.38Å; M441-N443 VanDerWaalsContact O-N 3.13Å; M441-N443 PolarHBondContact O-OD1 3.42Å; N443-L445 VanDerWaalsContact C-N 3.33Å
444K90.3Very high93.3Very high7 Ų743 Ų433%0.0325%0.248CC..G310 helixtrans-74.5-22.9175-58.6-175.5-54.6178.90112.7M82 Y373 N375 Y397 E436 M441 E442 V446M82-K444 WeakPolarHBondContact CE-O 3.47Å; Y373-K444 PolarHBondContact O-NZ 2.98Å; Y373-K444 VanDerWaalsContact O-NZ 3.08Å; N375-K444 PolarHBondContact O-NZ 2.83Å; Y397-K444 HydrophobicContact CD1-CB 4.41Å; Y397-K444 WeakPolarHBondContact CD1-O 3.19Å; Y397-K444 HydrophobicContact CE1-CB 4.3Å; E436-K444 WeakPolarHBondContact OE1-CE 3.09Å; E436-K444 IonicContact OE1-NZ 3.72Å; E436-K444 PolarHBondContact OE1-NZ 3.16Å; E436-K444 WeakPolarHBondContact OE2-CE 3.48Å; E436-K444 IonicContact OE2-NZ 3.06Å; E436-K444 PolarHBondContact OE2-NZ 3.27Å; M441-K444 HydrophobicContact CB-CD 4.17Å; M441-K444 VanDerWaalsContact CB-CE 3.49Å; M441-K444 HydrophobicContact CB-CG 4.44Å; M441-K444 HydrophobicContact CE-CD 3.91Å; M441-K444 HydrophobicContact CE-CG 4.34Å; M441-K444 WeakPolarHBondContact O-CB 3.27Å; M441-K444 WeakPolarHBondContact O-CE 3.38Å; M441-K444 WeakPolarHBondContact O-CG 3.18Å; M441-K444 PolarHBondContact O-N 2.87Å; M441-K444 VanDerWaalsContact O-N 3.1Å; E442-K444 PolarHBondContact O-N 3.32Å; E442-K444 VanDerWaalsContact O-N 3.07Å; K444-V446 PolarHBondContact O-N 2.92Å
445L92.8Very high93.2Very high13 Ų1343.7 Ų43.77%0.06825%0.25CS..  trans-77.746.4-175-59.2173.8000112.4I396 Y397 V433 E436 E442 N443 G447 L448I396-L445 HydrophobicContact CB-CD2 4.28Å; I396-L445 HydrophobicContact CD1-CD2 4.1Å; I396-L445 HydrophobicContact CG1-CD2 4.49Å; I396-L445 CarbonylContact O-C 3.47Å; I396-L445 WeakPolarHBondContact O-CA 3.49Å; Y397-L445 HydrophobicContact CE1-CD2 4.04Å; V433-L445 HydrophobicContact CB-CD1 4.39Å; V433-L445 HydrophobicContact CG1-CD1 4.28Å; V433-L445 HydrophobicContact CG2-CD1 4.13Å; E436-L445 HydrophobicContact CB-CD1 4.06Å; E436-L445 HydrophobicContact CB-CD2 4.22Å; E436-L445 HydrophobicContact CB-CG 4.13Å; E436-L445 HydrophobicContact CG-CD2 3.79Å; E436-L445 HydrophobicContact CG-CG 4.19Å; E442-L445 HydrophobicContact CB-CD1 4.3Å; E442-L445 HydrophobicContact CG-CD1 4.41Å; E442-L445 VanDerWaalsContact O-CB 3.31Å; E442-L445 WeakPolarHBondContact O-CB 3.25Å; E442-L445 PolarHBondContact O-N 3Å; N443-L445 VanDerWaalsContact C-N 3.33Å; L445-G447 PolarHBondContact O-N 3.03Å; L445-G447 VanDerWaalsContact O-N 3.11Å; L445-L448 HydrophobicContact CB-CB 4.25Å; L445-L448 HydrophobicContact CD1-CD2 4.43Å; L445-L448 WeakPolarHBondContact O-CB 3.35Å; L445-L448 PolarHBondContact O-N 3.38Å
446V91.7Very high93.1Very high48 Ų4843.9 Ų43.929%0.29125%0.252SS..THydrogen-bonded Turntrans-64.5-18.2-176.3-57.40000113.3M82 Y397 S399 K444 L448M82-V446 HydrophobicContact CB-CG2 4.46Å; M82-V446 HydrophobicContact CE-CG2 3.68Å; Y397-V446 WeakPolarHBondContact O-CG2 3.39Å; S399-V446 WeakPolarHBondContact CA-O 3.49Å; K444-V446 PolarHBondContact O-N 2.92Å; V446-L448 VanDerWaalsContact C-N 3.31Å
447G92.6Very high92.9Very high4 Ų444.3 Ų44.34%0.04125%0.253CS..THydrogen-bonded Turntrans-81.8-6.1173.400000114.3I396 S398 L445I396-G447 WeakPolarHBondContact O-CA 3.5Å; I396-G447 PolarHBondContact O-N 3.22Å; S398-G447 WeakPolarHBondContact O-CA 3.45Å; L445-G447 PolarHBondContact O-N 3.03Å; L445-G447 VanDerWaalsContact O-N 3.11Å
448L93.5Very high92.7Very high43 Ų4345 Ų4523%0.22525%0.254CS..  trans-102.384.9173.8-17669.1000109.4V433 L445 V446 P450 V452 V469V433-L448 HydrophobicContact CG1-CD2 4.33Å; V433-L448 HydrophobicContact CG2-CD2 3.81Å; L445-L448 HydrophobicContact CB-CB 4.25Å; L445-L448 HydrophobicContact CD1-CD2 4.43Å; L445-L448 WeakPolarHBondContact O-CB 3.35Å; L445-L448 PolarHBondContact O-N 3.38Å; V446-L448 VanDerWaalsContact C-N 3.31Å; L448-P450 VanDerWaalsContact CD1-O 3.27Å; L448-P450 WeakPolarHBondContact CD1-O 3.29Å; L448-V452 HydrophobicContact CD1-CG2 4Å; L448-V469 HydrophobicContact CD1-CB 3.89Å
449N88.8Confident92.5Very high137 Ų13745.7 Ų45.773%0.73325%0.252SS*.SBendtrans-149.292.9179.5-174.111.4000113.6
450P88.9Confident92.2Very high98 Ų9846.4 Ų46.464%0.63626%0.256SS*.SBendcis-74.7-15-22.733-34.8000112.3L448L448-P450 VanDerWaalsContact CD1-O 3.27Å; L448-P450 WeakPolarHBondContact CD1-O 3.29Å
451D94.2Very high92Very high33 Ų3345.7 Ų45.718%0.17624%0.241CC..SBendtrans-112.5156.8-173.4-59.6-40.8000111R466 P468D451-R466 HydrophobicContact CB-CB 4Å; D451-P468 VanDerWaalsContact OD1-CA 3.31Å; D451-P468 WeakPolarHBondContact OD1-CA 3.3Å
452V95.7Very high92Very high0 Ų043.9 Ų43.90%023%0.232CC..EExtended strand (participates in β ladder)trans-74.2137.7168.6171.70000109.5I396 Y429 L448 R466 I467 V469I396-V452 HydrophobicContact CG2-CG2 3.75Å; Y429-V452 HydrophobicContact CD2-CB 4.37Å; Y429-V452 HydrophobicContact CD2-CG1 4Å; Y429-V452 HydrophobicContact CD2-CG2 4.31Å; Y429-V452 HydrophobicContact CE2-CG1 3.83Å; Y429-V452 HydrophobicContact CG-CG2 4.46Å; L448-V452 HydrophobicContact CD1-CG2 4Å; V452-R466 WeakPolarHBondContact O-CA 3.43Å; V452-I467 HydrophobicContact CB-CB 4.49Å; V452-I467 PolarHBondContact N-O 2.71Å; V452-I467 PolarHBondContact O-N 3.05Å; V452-V469 HydrophobicContact CB-CG2 4.09Å; V452-V469 HydrophobicContact CG2-CB 4.18Å; V452-V469 HydrophobicContact CG2-CG2 3.61Å
453I95.1Very high92Very high27 Ų2739.8 Ų39.814%0.13821%0.213CC..EExtended strand (participates in β ladder)trans-107.7119.4-179.3-61.7173.1000111G401 V402 Y455 M464 F465G401-I453 CarbonylContact C-O 3.32Å; G401-I453 WeakPolarHBondContact CA-O 3.47Å; V402-I453 PolarHBondContact N-O 3.35Å; I453-Y455 HydrophobicContact CG2-CD2 4.48Å; I453-Y455 HydrophobicContact CG2-CE1 4.33Å; I453-Y455 HydrophobicContact CG2-CE2 3.88Å; I453-M464 HydrophobicContact CD1-SD 4.3Å; I453-M464 HydrophobicContact CG2-CG 3.54Å; I453-M464 HydrophobicContact CG2-SD 3.81Å; I453-F465 WeakPolarHBondContact CA-O 3.36Å
454E95.3Very high92.2Very high0 Ų035.8 Ų35.80%019%0.191CC..EExtended strand (participates in β ladder)trans-114.4134.2168.8-67.8-175.3166.400109.6V402 L404 R425 Y429 F465 I467V402-E454 HydrophobicContact CG2-CG 4.38Å; V402-E454 CarbonylContact O-C 3.6Å; V402-E454 WeakPolarHBondContact O-CA 3.48Å; L404-E454 HydrophobicContact CD1-CB 4.45Å; L404-E454 HydrophobicContact CD2-CG 4.28Å; L404-E454 HydrophobicContact CG-CB 4.32Å; R425-E454 IonicContact CZ-OE1 3.71Å; R425-E454 IonicContact CZ-OE2 2.67Å; R425-E454 IonicContact NE-OE1 3.71Å; R425-E454 PolarHBondContact NE-OE1 3.02Å; R425-E454 IonicContact NE-OE2 3.39Å; R425-E454 PolarHBondContact NE-OE2 2.9Å; R425-E454 IonicContact NH2-OE1 2.86Å; R425-E454 IonicContact NH2-OE2 2.61Å; R425-E454 PolarHBondContact NH2-OE2 3.32Å; Y429-E454 WeakPolarHBondContact CE2-OE1 3.42Å; Y429-E454 PolarHBondContact OH-OE1 3.29Å; E454-F465 HydrophobicContact CB-CB 4.32Å; E454-F465 PolarHBondContact N-O 2.9Å; E454-F465 WeakPolarHBondContact O-CB 3.29Å; E454-F465 PolarHBondContact O-N 3.25Å; E454-I467 HydrophobicContact CB-CD1 4.33Å; E454-I467 VanDerWaalsContact CD-CD1 3.45Å; E454-I467 HydrophobicContact CG-CD1 3.83Å; E454-I467 WeakPolarHBondContact OE2-CD1 3.43Å
455Y94.6Very high92.4Very high16 Ų1635.7 Ų35.76%0.06319%0.191CC..EExtended strand (participates in β ladder)trans-101.4125.9167.7-55-86.3000109.1L87 L400 V402 F403 L404 I453 V463 M464 L708L87-Y455 HydrophobicContact CD1-CD2 4.35Å; L87-Y455 HydrophobicContact CD1-CE2 3.57Å; L400-Y455 WeakPolarHBondContact O-CE2 3.48Å; L400-Y455 PolarHBondContact O-OH 3.04Å; V402-Y455 WeakPolarHBondContact O-CD2 3.43Å; V402-Y455 PolarHBondContact O-N 3.18Å; F403-Y455 HydrophobicContact CD1-CD2 4.08Å; F403-Y455 AromaticContact CD1-CG 3.89Å; F403-Y455 HydrophobicContact CD1-CG 3.89Å; F403-Y455 HydrophobicContact CD2-CD2 4.2Å; F403-Y455 HydrophobicContact CE1-CD1 4.13Å; F403-Y455 AromaticContact CE1-CD2 3.83Å; F403-Y455 HydrophobicContact CE1-CD2 3.83Å; F403-Y455 AromaticContact CE1-CG 3.52Å; F403-Y455 HydrophobicContact CE1-CG 3.52Å; F403-Y455 HydrophobicContact CE2-CD2 4.03Å; F403-Y455 HydrophobicContact CE2-CE2 4.39Å; F403-Y455 HydrophobicContact CG-CD2 4.21Å; F403-Y455 HydrophobicContact CG-CG 4.46Å; F403-Y455 HydrophobicContact CZ-CD1 4.36Å; F403-Y455 AromaticContact CZ-CD2 3.79Å; F403-Y455 HydrophobicContact CZ-CD2 3.79Å; F403-Y455 HydrophobicContact CZ-CE2 4.25Å; F403-Y455 AromaticContact CZ-CG 3.87Å; F403-Y455 HydrophobicContact CZ-CG 3.87Å; L404-Y455 PolarHBondContact N-O 2.9Å; I453-Y455 HydrophobicContact CG2-CD2 4.48Å; I453-Y455 HydrophobicContact CG2-CE1 4.33Å; I453-Y455 HydrophobicContact CG2-CE2 3.88Å; Y455-V463 WeakPolarHBondContact CA-O 3.34Å; Y455-M464 HydrophobicContact CD1-CB 3.92Å; Y455-M464 HydrophobicContact CD1-CG 4.14Å; Y455-M464 HydrophobicContact CE1-CB 3.86Å; Y455-M464 HydrophobicContact CE1-CG 3.76Å; Y455-M464 HydrophobicContact CE1-SD 4.12Å; Y455-L708 HydrophobicContact CD1-CD1 4.39Å; Y455-L708 HydrophobicContact CD1-CD2 3.9Å; Y455-L708 HydrophobicContact CE1-CD2 3.69Å
456T93.5Very high92.5Very high7 Ų739.5 Ų39.54%0.04321%0.205CC..EExtended strand (participates in β ladder)trans-149.6171.3-176.9-167.80000111S416 V463 F465S416-T456 PolarHBondContact OG-OG1 3.38Å; T456-V463 PolarHBondContact N-O 3.47Å; T456-V463 VanDerWaalsContact N-O 3.08Å; T456-V463 WeakPolarHBondContact O-CG2 3.04Å; T456-V463 PolarHBondContact O-N 2.87Å; T456-F465 HydrophobicContact CG2-CD1 4.5Å; T456-F465 HydrophobicContact CG2-CD2 3.5Å; T456-F465 VanDerWaalsContact CG2-CD2 3.5Å; T456-F465 HydrophobicContact CG2-CE1 4.38Å; T456-F465 HydrophobicContact CG2-CE2 3.35Å; T456-F465 HydrophobicContact CG2-CG 4.1Å; T456-F465 HydrophobicContact CG2-CZ 3.84Å
457R91.7Very high92.6Very high9 Ų937.2 Ų37.23%0.03419%0.191CC..EExtended strand (participates in β ladder)trans-73.5136.9177.2-173.6-169.674.887.9-5110.7L98 E409 C413 L415 S416 N459 K461L98-R457 HydrophobicContact CD1-CB 4.27Å; L98-R457 HydrophobicContact CD1-CG 3.76Å; L98-R457 HydrophobicContact CD2-CB 4.4Å; L98-R457 HydrophobicContact CD2-CG 4.1Å; E409-R457 IonicContact OE1-NE 3.98Å; E409-R457 IonicContact OE2-CZ 3.67Å; E409-R457 IonicContact OE2-NE 2.83Å; E409-R457 PolarHBondContact OE2-NE 3.35Å; E409-R457 IonicContact OE2-NH2 3.24Å; E409-R457 PolarHBondContact OE2-NH2 3.01Å; C413-R457 PolarHBondContact O-NH1 2.91Å; C413-R457 PolarHBondContact O-NH2 3.43Å; L415-R457 PolarHBondContact O-NH2 2.9Å; S416-R457 WeakPolarHBondContact CB-O 3.36Å; R457-N459 WeakPolarHBondContact CG-O 3.49Å; R457-N459 PolarHBondContact NH1-O 2.96Å; R457-K461 WeakPolarHBondContact CA-O 3.49Å
458Q90.9Very high92.7Very high39 Ų3939 Ų3918%0.18220%0.202CC..EExtended strand (participates in β ladder)trans-139.1127.6158.2-168.2-178.819.500109P414 D460 K461 V463 I705P414-Q458 CarbonylContact O-C 3.45Å; P414-Q458 WeakPolarHBondContact O-CA 3.3Å; P414-Q458 WeakPolarHBondContact O-CG 3.47Å; Q458-D460 PolarHBondContact O-N 3.29Å; Q458-K461 PolarHBondContact N-O 3.37Å; Q458-K461 PolarHBondContact O-N 2.9Å; Q458-K461 VanDerWaalsContact O-O 3.11Å; Q458-V463 HydrophobicContact CB-CG1 4.27Å; Q458-V463 HydrophobicContact CB-CG2 3.52Å; Q458-I705 VanDerWaalsContact NE2-CD1 3.3Å; Q458-I705 VanDerWaalsContact OE1-CG2 3.27Å
459N89Confident92.8Very high85 Ų8537.5 Ų37.546%0.45519%0.194SC..THydrogen-bonded Turntrans50.8-128.4-167-56.6-59.7000110.1P414 R457 K461P414-N459 WeakPolarHBondContact CA-OD1 3.45Å; P414-N459 WeakPolarHBondContact CB-OD1 3.39Å; P414-N459 PolarHBondContact O-N 3.06Å; R457-N459 WeakPolarHBondContact CG-O 3.49Å; R457-N459 PolarHBondContact NH1-O 2.96Å; N459-K461 VanDerWaalsContact C-N 3.35Å
460D88.5Confident92.9Very high72 Ų7238.2 Ų38.239%0.38519%0.191SC..THydrogen-bonded Turntrans-91.57.7177.1-62.7-43.9000114I102 K106 Q458I102-D460 HydrophobicContact CD1-CB 4.03Å; I102-D460 WeakPolarHBondContact CG2-OD1 3.49Å; K106-D460 WeakPolarHBondContact CE-OD1 3.43Å; K106-D460 IonicContact NZ-OD1 3.97Å; K106-D460 PolarHBondContact NZ-OD1 3.41Å; K106-D460 IonicContact NZ-OD2 3.04Å; K106-D460 PolarHBondContact NZ-OD2 2.98Å; Q458-D460 PolarHBondContact O-N 3.29Å
461K90Very high93.1Very high80 Ų8038.7 Ų38.735%0.34818%0.184SC..EExtended strand (participates in β ladder)trans-114.8153.5-171.3-64.2-179.4179.7-177.20111.7R457 Q458 N459 V463 E707R457-K461 WeakPolarHBondContact CA-O 3.49Å; Q458-K461 PolarHBondContact N-O 3.37Å; Q458-K461 PolarHBondContact O-N 2.9Å; Q458-K461 VanDerWaalsContact O-O 3.11Å; N459-K461 VanDerWaalsContact C-N 3.35Å; K461-V463 HydrophobicContact CB-CG1 4.19Å; K461-E707 IonicContact NZ-OE1 3.29Å; K461-E707 PolarHBondContact NZ-OE1 2.88Å; K461-E707 IonicContact NZ-OE2 3.49Å; K461-E707 PolarHBondContact NZ-OE2 3.48Å
462L91.6Very high93Very high5 Ų538 Ų383%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-89.1123.5163.8-170.665.9000107.8Q91 E94 L98 F403 L708Q91-L462 HydrophobicContact CG-CD2 4.22Å; E94-L462 HydrophobicContact CB-CD2 4.35Å; L98-L462 HydrophobicContact CD2-CB 4.29Å; F403-L462 HydrophobicContact CD1-CD1 4.43Å; F403-L462 HydrophobicContact CD1-CD2 4.04Å; F403-L462 HydrophobicContact CE1-CD2 3.61Å; F403-L462 HydrophobicContact CE1-CG 4.36Å; L462-L708 HydrophobicContact CB-CD1 4.27Å; L462-L708 HydrophobicContact CD2-CD1 4.21Å; L462-L708 HydrophobicContact CG-CD1 4.06Å; L462-L708 WeakPolarHBondContact O-CD1 3.46Å
463V93.2Very high92.8Very high3 Ų344.2 Ų44.22%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-127.2160.5-176-62.80000110.7Y455 T456 Q458 K461 F465 I705Y455-V463 WeakPolarHBondContact CA-O 3.34Å; T456-V463 PolarHBondContact N-O 3.47Å; T456-V463 VanDerWaalsContact N-O 3.08Å; T456-V463 WeakPolarHBondContact O-CG2 3.04Å; T456-V463 PolarHBondContact O-N 2.87Å; Q458-V463 HydrophobicContact CB-CG1 4.27Å; Q458-V463 HydrophobicContact CB-CG2 3.52Å; K461-V463 HydrophobicContact CB-CG1 4.19Å; V463-F465 HydrophobicContact CG2-CD2 3.88Å; V463-F465 HydrophobicContact CG2-CE2 3.51Å; V463-I705 HydrophobicContact CB-CG2 4.08Å; V463-I705 HydrophobicContact CG1-CG2 4.45Å; V463-I705 HydrophobicContact CG2-CG2 4.16Å
464M93.7Very high92.8Very high25 Ų2544.1 Ų44.112%0.12322%0.221CC..EExtended strand (participates in β ladder)trans-99.3118.2177.6-176.3-178.361.600110.1I453 Y455 R466 H706 L708I453-M464 HydrophobicContact CD1-SD 4.3Å; I453-M464 HydrophobicContact CG2-CG 3.54Å; I453-M464 HydrophobicContact CG2-SD 3.81Å; Y455-M464 HydrophobicContact CD1-CB 3.92Å; Y455-M464 HydrophobicContact CD1-CG 4.14Å; Y455-M464 HydrophobicContact CE1-CB 3.86Å; Y455-M464 HydrophobicContact CE1-CG 3.76Å; Y455-M464 HydrophobicContact CE1-SD 4.12Å; M464-R466 HydrophobicContact CE-CG 4.35Å; M464-H706 HydrophobicContact CB-CB 4.31Å; M464-H706 HydrophobicContact CE-CB 3.47Å; M464-H706 VanDerWaalsContact CE-CB 3.47Å; M464-H706 PolarHBondContact N-O 2.76Å; M464-H706 PolarHBondContact O-N 2.78Å; M464-L708 HydrophobicContact CB-CD2 4.05Å
465F94Very high92.7Very high5 Ų547.1 Ų47.12%0.02224%0.236CC..EExtended strand (participates in β ladder)trans-92.1123.9170.5-80.1-130.6000108.5I453 E454 T456 V463 I467 Y703 I705I453-F465 WeakPolarHBondContact CA-O 3.36Å; E454-F465 HydrophobicContact CB-CB 4.32Å; E454-F465 PolarHBondContact N-O 2.9Å; E454-F465 WeakPolarHBondContact O-CB 3.29Å; E454-F465 PolarHBondContact O-N 3.25Å; T456-F465 HydrophobicContact CG2-CD1 4.5Å; T456-F465 HydrophobicContact CG2-CD2 3.5Å; T456-F465 VanDerWaalsContact CG2-CD2 3.5Å; T456-F465 HydrophobicContact CG2-CE1 4.38Å; T456-F465 HydrophobicContact CG2-CE2 3.35Å; T456-F465 HydrophobicContact CG2-CG 4.1Å; T456-F465 HydrophobicContact CG2-CZ 3.84Å; V463-F465 HydrophobicContact CG2-CD2 3.88Å; V463-F465 HydrophobicContact CG2-CE2 3.51Å; F465-I467 HydrophobicContact CB-CG1 4.44Å; F465-Y703 HydrophobicContact CD1-CD1 4.38Å; F465-Y703 AromaticContact CD1-CD2 3.53Å; F465-Y703 HydrophobicContact CD1-CD2 3.53Å; F465-Y703 AromaticContact CD1-CE2 3.82Å; F465-Y703 HydrophobicContact CD1-CE2 3.82Å; F465-Y703 AromaticContact CD1-CG 3.83Å; F465-Y703 HydrophobicContact CD1-CG 3.83Å; F465-Y703 HydrophobicContact CE1-CD1 4.49Å; F465-Y703 AromaticContact CE1-CD2 3.62Å; F465-Y703 HydrophobicContact CE1-CD2 3.62Å; F465-Y703 HydrophobicContact CE1-CE1 4.27Å; F465-Y703 AromaticContact CE1-CE2 3.36Å; F465-Y703 HydrophobicContact CE1-CE2 3.36Å; F465-Y703 HydrophobicContact CE1-CG 4.17Å; F465-Y703 AromaticContact CE1-CZ 3.69Å; F465-Y703 HydrophobicContact CG-CD2 4.35Å; F465-Y703 HydrophobicContact CZ-CD2 4.48Å; F465-Y703 HydrophobicContact CZ-CE2 4.03Å; F465-I705 HydrophobicContact CD2-CG1 4.38Å; F465-I705 HydrophobicContact CE2-CG1 4.11Å; F465-I705 HydrophobicContact CZ-CD1 4.48Å; F465-I705 HydrophobicContact CZ-CG1 4.23Å
466R95.1Very high92.8Very high94 Ų9447.4 Ų47.436%0.35524%0.238SC..EExtended strand (participates in β ladder)trans-100.6115.4166.7-65.8-174.2178.9179.50.1108.5D451 V452 M464 P468 Y703 S704D451-R466 HydrophobicContact CB-CB 4Å; V452-R466 WeakPolarHBondContact O-CA 3.43Å; M464-R466 HydrophobicContact CE-CG 4.35Å; R466-P468 WeakPolarHBondContact O-CD 3.37Å; R466-Y703 CarbonylContact O-C 3.59Å; R466-Y703 WeakPolarHBondContact O-CA 3.37Å; R466-Y703 VanDerWaalsContact O-CB 3.29Å; R466-Y703 WeakPolarHBondContact O-CB 3.5Å; R466-S704 PolarHBondContact N-O 3.27Å; R466-S704 PolarHBondContact O-N 2.92Å
467I95.3Very high92.9Very high0 Ų050.9 Ų50.90%026%0.262CS..EExtended strand (participates in β ladder)trans-107.8111-174.9-57.6169.3000108.1L422 R426 V452 E454 F465 V469L422-I467 HydrophobicContact CD1-CD1 3.79Å; L422-I467 HydrophobicContact CD1-CG1 4.34Å; R426-I467 HydrophobicContact CB-CG2 4.43Å; R426-I467 HydrophobicContact CG-CG2 4.15Å; V452-I467 HydrophobicContact CB-CB 4.49Å; V452-I467 PolarHBondContact N-O 2.71Å; V452-I467 PolarHBondContact O-N 3.05Å; E454-I467 HydrophobicContact CB-CD1 4.33Å; E454-I467 VanDerWaalsContact CD-CD1 3.45Å; E454-I467 HydrophobicContact CG-CD1 3.83Å; E454-I467 WeakPolarHBondContact OE2-CD1 3.43Å; F465-I467 HydrophobicContact CB-CG1 4.44Å; I467-V469 HydrophobicContact CG2-CG2 4.21Å; I467-V469 PolarHBondContact O-N 2.97Å; I467-V469 VanDerWaalsContact O-N 3.17Å
468P94.4Very high93Very high42 Ų4257.1 Ų57.127%0.27329%0.29SS..  trans-65.5115.6173.6-23.135.5000111.1R426 D451 R466 F702R426-P468 PolarHBondContact NE-O 3.37Å; D451-P468 VanDerWaalsContact OD1-CA 3.31Å; D451-P468 WeakPolarHBondContact OD1-CA 3.3Å; R466-P468 WeakPolarHBondContact O-CD 3.37Å; P468-F702 WeakPolarHBondContact CD-O 3.38Å
469V94.5Very high93.3Very high11 Ų1156.6 Ų56.67%0.06729%0.289CS..  trans-112.6118.1178.1176.20000107.9Y429 Q430 V433 L448 V452 I467Y429-V469 HydrophobicContact CD2-CG2 4.08Å; Y429-V469 HydrophobicContact CG-CG2 4.42Å; Q430-V469 HydrophobicContact CB-CG1 4.45Å; Q430-V469 HydrophobicContact CG-CG1 3.73Å; V433-V469 HydrophobicContact CG2-CG1 3.83Å; L448-V469 HydrophobicContact CD1-CB 3.89Å; V452-V469 HydrophobicContact CB-CG2 4.09Å; V452-V469 HydrophobicContact CG2-CB 4.18Å; V452-V469 HydrophobicContact CG2-CG2 3.61Å; I467-V469 HydrophobicContact CG2-CG2 4.21Å; I467-V469 PolarHBondContact O-N 2.97Å; I467-V469 VanDerWaalsContact O-N 3.17Å
470K91.1Very high93.7Very high151 Ų15153.3 Ų53.366%0.65727%0.273SS*.  trans-110.1143.4175.2-64.3-177.1-178.9-1800109.4Q430 I472Q430-K470 VanDerWaalsContact CG-O 3.3Å; Q430-K470 WeakPolarHBondContact CG-O 3.46Å; Q430-K470 PolarHBondContact NE2-O 2.86Å; K470-I472 PolarHBondContact O-N 3.04Å
471Q92.7Very high94.1Very high109 Ų10949.9 Ų49.951%0.50925%0.254SS..  trans-54.7136.1170.4-171.8-176.44.600109.9V433V433-Q471 HydrophobicContact CG1-CB 4.01Å; V433-Q471 HydrophobicContact CG1-CG 4.45Å
472I93.4Very high94.3Very high18 Ų1847 Ų479%0.09224%0.243CC..  trans-104133.5169.546.3177.3000107.5L427 Q430 I431 S434 K470 L474L427-I472 HydrophobicContact CD1-CD1 3.77Å; Q430-I472 HydrophobicContact CB-CD1 3.89Å; Q430-I472 HydrophobicContact CB-CG1 3.95Å; Q430-I472 HydrophobicContact CB-CG2 4.42Å; I431-I472 HydrophobicContact CG1-CD1 4.33Å; S434-I472 WeakPolarHBondContact CB-O 3.49Å; S434-I472 WeakPolarHBondContact OG-CG1 3.44Å; S434-I472 PolarHBondContact OG-N 3.5Å; S434-I472 VanDerWaalsContact OG-N 3.17Å; S434-I472 PolarHBondContact OG-O 2.87Å; K470-I472 PolarHBondContact O-N 3.04Å; I472-L474 VanDerWaalsContact C-N 3.32Å; I472-L474 HydrophobicContact CB-CG 4.44Å; I472-L474 HydrophobicContact CD1-CD1 3.57Å; I472-L474 HydrophobicContact CD1-CD2 4.31Å; I472-L474 HydrophobicContact CD1-CG 3.95Å; I472-L474 HydrophobicContact CG1-CD1 3.77Å; I472-L474 HydrophobicContact CG1-CG 3.81Å; I472-L474 PolarHBondContact O-N 3.28Å
473P91.2Very high94.5Very high130 Ų13051.1 Ų51.184%0.84426%0.262SS*.  trans-70.789.6-177.628.8-33.9000109.9
474L94.4Very high94.6Very high26 Ų2651.2 Ų51.214%0.13626%0.263CS..  trans-106.1113.4178.3-65.6179000110.2I431 I472 F476 V479 V484I431-L474 HydrophobicContact CG1-CD1 4.15Å; I472-L474 VanDerWaalsContact C-N 3.32Å; I472-L474 HydrophobicContact CB-CG 4.44Å; I472-L474 HydrophobicContact CD1-CD1 3.57Å; I472-L474 HydrophobicContact CD1-CD2 4.31Å; I472-L474 HydrophobicContact CD1-CG 3.95Å; I472-L474 HydrophobicContact CG1-CD1 3.77Å; I472-L474 HydrophobicContact CG1-CG 3.81Å; I472-L474 PolarHBondContact O-N 3.28Å; L474-F476 HydrophobicContact CB-CD1 4.46Å; L474-F476 HydrophobicContact CB-CE1 4.06Å; L474-F476 HydrophobicContact CB-CE2 4.34Å; L474-F476 HydrophobicContact CB-CZ 3.99Å; L474-F476 HydrophobicContact CD1-CE1 3.79Å; L474-F476 HydrophobicContact CD1-CZ 3.93Å; L474-F476 PolarHBondContact O-N 3.14Å; L474-V479 HydrophobicContact CD2-CG1 4.44Å; L474-V484 HydrophobicContact CD2-CG1 4.37Å; L474-V484 HydrophobicContact CD2-CG2 3.76Å
475D94.8Very high94.7Very high62 Ų6250 Ų5033%0.33226%0.257SS..  trans-90.694.1161.7-176.3-11.1000108.1S477 K478 V479D475-S477 PolarHBondContact O-N 3.39Å; D475-S477 WeakPolarHBondContact OD1-CB 3.49Å; D475-S477 PolarHBondContact OD1-N 3.38Å; D475-S477 VanDerWaalsContact OD1-N 3.09Å; D475-S477 PolarHBondContact OD1-OG 2.81Å; D475-K478 HydrophobicContact CB-CB 4.39Å; D475-K478 PolarHBondContact O-N 2.89Å; D475-K478 VanDerWaalsContact OD2-CD 3.25Å; D475-K478 WeakPolarHBondContact OD2-CD 3.29Å; D475-K478 VanDerWaalsContact OD2-CE 3.26Å; D475-K478 WeakPolarHBondContact OD2-CE 3.3Å; D475-K478 WeakPolarHBondContact OD2-CG 3.44Å; D475-K478 IonicContact OD2-NZ 2.99Å; D475-K478 PolarHBondContact OD2-NZ 2.85Å; D475-V479 WeakPolarHBondContact O-CG2 3.33Å; D475-V479 PolarHBondContact O-N 3.4Å
476F95.5Very high94.7Very high23 Ų2353.6 Ų53.610%0.10127%0.272CS..THydrogen-bonded Turntrans-57.6-16.2-178-63.5-69.4000113.6I431 L435 L474 L608 P610I431-F476 HydrophobicContact CG2-CE1 4.34Å; I431-F476 HydrophobicContact CG2-CZ 4.43Å; L435-F476 HydrophobicContact CB-CE2 4.21Å; L435-F476 HydrophobicContact CB-CZ 4.32Å; L435-F476 HydrophobicContact CD1-CE2 4.43Å; L474-F476 HydrophobicContact CB-CD1 4.46Å; L474-F476 HydrophobicContact CB-CE1 4.06Å; L474-F476 HydrophobicContact CB-CE2 4.34Å; L474-F476 HydrophobicContact CB-CZ 3.99Å; L474-F476 HydrophobicContact CD1-CE1 3.79Å; L474-F476 HydrophobicContact CD1-CZ 3.93Å; L474-F476 PolarHBondContact O-N 3.14Å; F476-L608 HydrophobicContact CD1-CB 3.72Å; F476-L608 HydrophobicContact CD1-CD1 4.2Å; F476-L608 HydrophobicContact CE1-CB 4.08Å; F476-L608 HydrophobicContact CE1-CD1 3.67Å; F476-L608 HydrophobicContact CE1-CG 4.49Å; F476-L608 HydrophobicContact CG-CB 4.22Å; F476-L608 HydrophobicContact CZ-CD1 3.96Å; F476-P610 WeakPolarHBondContact O-CD 3.33Å
477S94.9Very high94.6Very high79 Ų7954 Ų5455%0.55228%0.282SS*.THydrogen-bonded Turntrans-79.2-19.1174.375.70000113.9D475D475-S477 PolarHBondContact O-N 3.39Å; D475-S477 WeakPolarHBondContact OD1-CB 3.49Å; D475-S477 PolarHBondContact OD1-N 3.38Å; D475-S477 VanDerWaalsContact OD1-N 3.09Å; D475-S477 PolarHBondContact OD1-OG 2.81Å
478K95.6Very high94.5Very high140 Ų14056.8 Ų56.861%0.60930%0.297SS*.THydrogen-bonded Turntrans-114.7-39.6-173.4-65.2-176.4-174.1126.10113.9D475 K613D475-K478 HydrophobicContact CB-CB 4.39Å; D475-K478 PolarHBondContact O-N 2.89Å; D475-K478 VanDerWaalsContact OD2-CD 3.25Å; D475-K478 WeakPolarHBondContact OD2-CD 3.29Å; D475-K478 VanDerWaalsContact OD2-CE 3.26Å; D475-K478 WeakPolarHBondContact OD2-CE 3.3Å; D475-K478 WeakPolarHBondContact OD2-CG 3.44Å; D475-K478 IonicContact OD2-NZ 2.99Å; D475-K478 PolarHBondContact OD2-NZ 2.85Å; K478-K613 WeakPolarHBondContact O-CE 3.32Å; K478-K613 PolarHBondContact O-NZ 3.02Å
479V96.4Very high94.5Very high29 Ų2955.1 Ų55.118%0.17629%0.285CS..  trans-70.8149.1-176.6-57.90000111.3L474 D475 V484 V609L474-V479 HydrophobicContact CD2-CG1 4.44Å; D475-V479 WeakPolarHBondContact O-CG2 3.33Å; D475-V479 PolarHBondContact O-N 3.4Å; V479-V484 HydrophobicContact CB-CG2 4.01Å; V479-V484 HydrophobicContact CG2-CG2 3.95Å; V479-V609 HydrophobicContact CG2-CG1 4.18Å
480S96.8Very high94.3Very high15 Ų1558 Ų5811%0.10530%0.3CS..  trans-99.6156.1166.866.80000112.1D482 E483 V484 K613S480-D482 VanDerWaalsContact C-N 3.28Å; S480-D482 PolarHBondContact O-N 2.93Å; S480-E483 WeakPolarHBondContact CB-OE2 3.17Å; S480-E483 PolarHBondContact N-OE2 3.46Å; S480-E483 PolarHBondContact O-N 3.38Å; S480-E483 WeakPolarHBondContact OG-CB 3.35Å; S480-E483 WeakPolarHBondContact OG-CG 3.39Å; S480-E483 PolarHBondContact OG-N 3.46Å; S480-E483 PolarHBondContact OG-OE2 2.88Å; S480-V484 WeakPolarHBondContact O-CG2 3.49Å; S480-V484 PolarHBondContact O-N 3.25Å; S480-V484 VanDerWaalsContact O-N 3.15Å; S480-K613 VanDerWaalsContact CA-O 3.26Å; S480-K613 WeakPolarHBondContact CA-O 3.33Å; S480-K613 WeakPolarHBondContact CB-O 3.3Å
481T97.1Very high94.3Very high0 Ų051.2 Ų51.20%027%0.271CS..Hα-helixtrans-57.1-43.6175.6-61.80000111.6V484 I485 I602 L605 N606 K613T481-V484 PolarHBondContact O-N 3.21Å; T481-I485 HydrophobicContact CG2-CG1 4.38Å; T481-I485 VanDerWaalsContact O-CG1 3.3Å; T481-I485 WeakPolarHBondContact O-CG1 3.44Å; T481-I485 PolarHBondContact O-N 2.93Å; T481-I602 HydrophobicContact CG2-CB 4.49Å; T481-I602 HydrophobicContact CG2-CG1 4.32Å; T481-I602 HydrophobicContact CG2-CG2 4.12Å; T481-L605 HydrophobicContact CG2-CB 3.81Å; T481-L605 HydrophobicContact CG2-CD1 4.05Å; T481-N606 WeakPolarHBondContact CB-OD1 3.36Å; T481-N606 PolarHBondContact OG1-OD1 3.22Å; T481-K613 PolarHBondContact N-O 3.02Å
482D95Very high94.1Very high19 Ų1948.7 Ų48.710%0.10227%0.268CS..Hα-helixtrans-66.7-40.4-176.7-64.2-41.3000112.3S480 I485 K486 L494 S615 N616 Y617 F618S480-D482 VanDerWaalsContact C-N 3.28Å; S480-D482 PolarHBondContact O-N 2.93Å; D482-I485 PolarHBondContact O-N 3.33Å; D482-K486 VanDerWaalsContact O-CB 3.25Å; D482-K486 WeakPolarHBondContact O-CB 3.36Å; D482-K486 PolarHBondContact O-N 3.17Å; D482-L494 HydrophobicContact CB-CD1 4.46Å; D482-S615 WeakPolarHBondContact OD1-CA 3.47Å; D482-S615 WeakPolarHBondContact OD1-CB 3.35Å; D482-S615 PolarHBondContact OD1-OG 2.97Å; D482-S615 WeakPolarHBondContact OD2-CA 3.39Å; D482-N616 PolarHBondContact OD2-N 2.91Å; D482-N616 VanDerWaalsContact OD2-N 3.15Å; D482-Y617 HydrophobicContact CB-CD2 4.32Å; D482-Y617 WeakPolarHBondContact OD2-CD2 3.22Å; D482-F618 WeakPolarHBondContact OD1-CD2 3.42Å
483E94.8Very high93.8Very high92 Ų9254.1 Ų54.143%0.4329%0.291SS..Hα-helixtrans-60.6-48.8174.1-74.3160.1167.600110.8S480 I485 K486 D487S480-E483 WeakPolarHBondContact CB-OE2 3.17Å; S480-E483 PolarHBondContact N-OE2 3.46Å; S480-E483 PolarHBondContact O-N 3.38Å; S480-E483 WeakPolarHBondContact OG-CB 3.35Å; S480-E483 WeakPolarHBondContact OG-CG 3.39Å; S480-E483 PolarHBondContact OG-N 3.46Å; S480-E483 PolarHBondContact OG-OE2 2.88Å; E483-I485 VanDerWaalsContact C-N 3.34Å; E483-I485 PolarHBondContact O-N 3.34Å; E483-K486 PolarHBondContact O-N 2.91Å; E483-D487 VanDerWaalsContact O-CB 3.3Å; E483-D487 WeakPolarHBondContact O-CB 3.44Å; E483-D487 PolarHBondContact O-N 2.91Å
484V96.1Very high93.5Very high5 Ų548.5 Ų48.53%0.0325%0.254CS..Hα-helixtrans-60.4-44.8179.8175.50000111.2L427 L474 V479 S480 T481 N488 L605L427-V484 HydrophobicContact CD1-CG1 4.49Å; L474-V484 HydrophobicContact CD2-CG1 4.37Å; L474-V484 HydrophobicContact CD2-CG2 3.76Å; V479-V484 HydrophobicContact CB-CG2 4.01Å; V479-V484 HydrophobicContact CG2-CG2 3.95Å; S480-V484 WeakPolarHBondContact O-CG2 3.49Å; S480-V484 PolarHBondContact O-N 3.25Å; S480-V484 VanDerWaalsContact O-N 3.15Å; T481-V484 PolarHBondContact O-N 3.21Å; V484-N488 VanDerWaalsContact O-CB 3.3Å; V484-N488 WeakPolarHBondContact O-CB 3.35Å; V484-N488 PolarHBondContact O-N 3.43Å; V484-N488 VanDerWaalsContact O-N 3.1Å; V484-N488 PolarHBondContact O-ND2 3.45Å; V484-L605 HydrophobicContact CB-CD1 4.14Å; V484-L605 HydrophobicContact CG1-CD1 3.85Å; V484-L605 HydrophobicContact CG1-CD2 4.09Å
485I95.5Very high92.9Very high0 Ų048 Ų480%025%0.252CS..Hα-helixtrans-63.7-49178.3-68.5-61000111.1L427 T481 D482 E483 L489 F491 L598 V601 I602 L605 F618L427-I485 HydrophobicContact CD2-CD1 4.18Å; T481-I485 HydrophobicContact CG2-CG1 4.38Å; T481-I485 VanDerWaalsContact O-CG1 3.3Å; T481-I485 WeakPolarHBondContact O-CG1 3.44Å; T481-I485 PolarHBondContact O-N 2.93Å; D482-I485 PolarHBondContact O-N 3.33Å; E483-I485 VanDerWaalsContact C-N 3.34Å; E483-I485 PolarHBondContact O-N 3.34Å; I485-L489 HydrophobicContact CG2-CD1 4.23Å; I485-L489 VanDerWaalsContact O-CB 3.28Å; I485-L489 WeakPolarHBondContact O-CB 3.45Å; I485-L489 PolarHBondContact O-N 3.17Å; I485-F491 HydrophobicContact CG2-CD2 4.43Å; I485-F491 HydrophobicContact CG2-CE2 4.17Å; I485-L598 HydrophobicContact CD1-CD1 4.47Å; I485-V601 HydrophobicContact CD1-CG1 3.74Å; I485-I602 HydrophobicContact CD1-CG1 3.86Å; I485-I602 HydrophobicContact CG1-CD1 4.47Å; I485-I602 HydrophobicContact CG1-CG1 3.92Å; I485-L605 HydrophobicContact CD1-CD1 3.92Å; I485-L605 HydrophobicContact CG1-CD1 4.15Å; I485-F618 HydrophobicContact CG2-CE2 4.09Å; I485-F618 HydrophobicContact CG2-CZ 4.1Å
486K94.2Very high92.2Very high81 Ų8152 Ų5235%0.35227%0.269SS..Hα-helixtrans-59.8-50.7-178.5-177.7-165.2169-160.30111.2D482 E483 N490 F491 L494D482-K486 VanDerWaalsContact O-CB 3.25Å; D482-K486 WeakPolarHBondContact O-CB 3.36Å; D482-K486 PolarHBondContact O-N 3.17Å; E483-K486 PolarHBondContact O-N 2.91Å; K486-N490 PolarHBondContact O-N 3.41Å; K486-F491 HydrophobicContact CG-CB 4.06Å; K486-F491 WeakPolarHBondContact CG-O 3.28Å; K486-F491 PolarHBondContact O-N 2.93Å; K486-L494 HydrophobicContact CB-CD1 4.26Å; K486-L494 HydrophobicContact CB-CG 4.42Å
487D92.7Very high91.3Very high103 Ų10351.9 Ų51.955%0.55127%0.27SS*.Hα-helixtrans-74-33.5-170.6-65.3-12.3000112.2E483E483-D487 VanDerWaalsContact O-CB 3.3Å; E483-D487 WeakPolarHBondContact O-CB 3.44Å; E483-D487 PolarHBondContact O-N 2.91Å
488N93.5Very high90.3Very high58 Ų5855.6 Ų55.631%0.3128%0.283SS..Hα-helixtrans-94-18.5-176.7-66.4-89.6000114L427 V484L427-N488 HydrophobicContact CD1-CB 3.56Å; L427-N488 HydrophobicContact CD2-CB 3.9Å; L427-N488 HydrophobicContact CG-CB 4.32Å; V484-N488 VanDerWaalsContact O-CB 3.3Å; V484-N488 WeakPolarHBondContact O-CB 3.35Å; V484-N488 PolarHBondContact O-N 3.43Å; V484-N488 VanDerWaalsContact O-N 3.1Å; V484-N488 PolarHBondContact O-ND2 3.45Å
489L93.3Very high89.9Confident6 Ų655.5 Ų55.53%0.03129%0.289CS..THydrogen-bonded Turntrans-103.111.2172.5-59.3-176000112.7L423 I424 L427 I485 F491 F513 L598 I693L423-L489 HydrophobicContact CB-CD2 4.39Å; I424-L489 HydrophobicContact CG1-CD1 3.98Å; I424-L489 HydrophobicContact CG1-CD2 4.22Å; L427-L489 HydrophobicContact CB-CD2 4.31Å; L427-L489 HydrophobicContact CD2-CD1 4.32Å; L427-L489 HydrophobicContact CD2-CD2 3.85Å; L427-L489 HydrophobicContact CD2-CG 3.81Å; I485-L489 HydrophobicContact CG2-CD1 4.23Å; I485-L489 VanDerWaalsContact O-CB 3.28Å; I485-L489 WeakPolarHBondContact O-CB 3.45Å; I485-L489 PolarHBondContact O-N 3.17Å; L489-F491 VanDerWaalsContact C-N 3.32Å; L489-F491 HydrophobicContact CB-CD2 3.79Å; L489-F491 HydrophobicContact CB-CE2 3.57Å; L489-F491 HydrophobicContact CD1-CE2 4.03Å; L489-F491 HydrophobicContact CG-CE2 4.44Å; L489-F491 PolarHBondContact O-N 3Å; L489-F513 HydrophobicContact CB-CE2 4.18Å; L489-F513 HydrophobicContact CD1-CE2 4.41Å; L489-F513 HydrophobicContact CD2-CE2 4.49Å; L489-L598 HydrophobicContact CD1-CD1 4.16Å; L489-I693 WeakPolarHBondContact O-CG2 3.29Å
490N90.7Very high89.5Confident72 Ų7254.5 Ų54.539%0.38528%0.282SS..THydrogen-bonded Turntrans56.237.9174.5-61-23000114.7K486 A492 I693 S694K486-N490 PolarHBondContact O-N 3.41Å; N490-A492 PolarHBondContact O-N 3.43Å; N490-I693 WeakPolarHBondContact O-CA 3.38Å; N490-S694 WeakPolarHBondContact CB-O 3Å; N490-S694 PolarHBondContact ND2-O 2.91Å; N490-S694 VanDerWaalsContact ND2-O 3.15Å; N490-S694 PolarHBondContact O-N 3.38Å
491F91.8Very high89.1Confident9 Ų956 Ų564%0.03929%0.292CS..BIsolated β-bridgetrans-71123.2172.1-73.8-83.8000109.7I485 K486 L489 K493 L494 V509 F513 I691 I693I485-F491 HydrophobicContact CG2-CD2 4.43Å; I485-F491 HydrophobicContact CG2-CE2 4.17Å; K486-F491 HydrophobicContact CG-CB 4.06Å; K486-F491 WeakPolarHBondContact CG-O 3.28Å; K486-F491 PolarHBondContact O-N 2.93Å; L489-F491 VanDerWaalsContact C-N 3.32Å; L489-F491 HydrophobicContact CB-CD2 3.79Å; L489-F491 HydrophobicContact CB-CE2 3.57Å; L489-F491 HydrophobicContact CD1-CE2 4.03Å; L489-F491 HydrophobicContact CG-CE2 4.44Å; L489-F491 PolarHBondContact O-N 3Å; F491-K493 VanDerWaalsContact C-N 3.28Å; F491-K493 PolarHBondContact O-N 3.35Å; F491-L494 HydrophobicContact CB-CD2 4.22Å; F491-L494 HydrophobicContact CD1-CD2 4.08Å; F491-L494 HydrophobicContact CD2-CD2 4.33Å; F491-L494 HydrophobicContact CG-CD2 3.96Å; F491-V509 HydrophobicContact CE1-CG1 3.78Å; F491-V509 HydrophobicContact CZ-CG1 3.52Å; F491-F513 HydrophobicContact CE2-CD2 4.41Å; F491-F513 AromaticContact CZ-CD2 3.89Å; F491-F513 HydrophobicContact CZ-CD2 3.89Å; F491-I691 HydrophobicContact CD1-CG2 4.06Å; F491-I691 HydrophobicContact CE1-CG2 3.89Å; F491-I693 HydrophobicContact CD1-CD1 4.31Å; F491-I693 HydrophobicContact CD1-CG1 3.61Å; F491-I693 HydrophobicContact CE1-CD1 3.71Å; F491-I693 HydrophobicContact CE1-CG1 3.53Å; F491-I693 HydrophobicContact CG-CG1 4.37Å; F491-I693 HydrophobicContact CZ-CD1 4.19Å; F491-I693 HydrophobicContact CZ-CG1 4.25Å
492A88.5Confident88.7Confident55 Ų5559.6 Ų59.646%0.45531%0.311SS..SBendtrans-58.9-44.6177.300000110.8N490 E692N490-A492 PolarHBondContact O-N 3.43Å; A492-E692 HydrophobicContact CB-CB 4.11Å; A492-E692 PolarHBondContact N-O 3.31Å
493K86.9Confident88.5Confident132 Ų13261.4 Ų61.457%0.57432%0.318SS*.  trans-154.2144.3168.8-178.2173.3178.1177.90109.1F491 P495F491-K493 VanDerWaalsContact C-N 3.28Å; F491-K493 PolarHBondContact O-N 3.35Å; K493-P495 WeakPolarHBondContact O-CD 3.3Å
494L85Confident88.5Confident13 Ų1357 Ų577%0.06830%0.297CS..  trans-83110161.4-67.8178.6000107.4D482 K486 F491 E496 F618D482-L494 HydrophobicContact CB-CD1 4.46Å; K486-L494 HydrophobicContact CB-CD1 4.26Å; K486-L494 HydrophobicContact CB-CG 4.42Å; F491-L494 HydrophobicContact CB-CD2 4.22Å; F491-L494 HydrophobicContact CD1-CD2 4.08Å; F491-L494 HydrophobicContact CD2-CD2 4.33Å; F491-L494 HydrophobicContact CG-CD2 3.96Å; L494-E496 PolarHBondContact O-N 3.28Å; L494-F618 HydrophobicContact CD1-CE2 4.1Å; L494-F618 HydrophobicContact CD1-CZ 4.28Å; L494-F618 HydrophobicContact CD2-CZ 4.11Å
495P82.6Confident88.5Confident14 Ų1457 Ų579%0.09130%0.297CS..  trans-65.2131-177.125.3-31.7000110.2K493 N497 Y505 L687 I691K493-P495 WeakPolarHBondContact O-CD 3.3Å; P495-N497 PolarHBondContact O-N 3.42Å; P495-Y505 HydrophobicContact CG-CE2 4.21Å; P495-Y505 VanDerWaalsContact O-CE2 3.3Å; P495-Y505 WeakPolarHBondContact O-CE2 3.25Å; P495-L687 HydrophobicContact CB-CD1 4.17Å; P495-L687 HydrophobicContact CG-CD1 3.58Å; P495-I691 HydrophobicContact CG-CG1 3.83Å
496E80.1Confident88.5Confident146 Ų14657 Ų5768%0.68230%0.297SS*.  trans-59.8135.5166.2-72.2172-14800109.2L494L494-E496 PolarHBondContact O-N 3.28Å
497N74.9Confident88.6Confident22 Ų2253.1 Ų53.112%0.11828%0.28CS..  trans-148114.9-175.6173.928.9000111.5P495 L499 I500 Y505P495-N497 PolarHBondContact O-N 3.42Å; N497-L499 PolarHBondContact OD1-N 2.92Å; N497-I500 WeakPolarHBondContact ND2-CG1 3.32Å; N497-I500 PolarHBondContact OD1-N 3.13Å; N497-Y505 HydrophobicContact CB-CD2 3.78Å; N497-Y505 HydrophobicContact CB-CE2 4.21Å
498N75.7Confident88.8Confident157 Ų15748.2 Ų48.284%0.8425%0.254SS*.  trans-115.55.5174.2-58.6-14.3000111.7
499L85.5Confident88.9Confident138 Ų13845.5 Ų45.572%0.72324%0.239SC*.SBendtrans-96.3-21.4-168.7-61.8177.5000113.6N497 T683N497-L499 PolarHBondContact OD1-N 2.92Å; L499-T683 HydrophobicContact CB-CG2 3.77Å; L499-T683 HydrophobicContact CD1-CG2 3.97Å
500I89.3Confident89.1Confident7 Ų745.2 Ų45.24%0.03624%0.237CC..SBendtrans-128.3154.7174.360.2169000109.4N497 L504 T680 T683 F684 L687N497-I500 WeakPolarHBondContact ND2-CG1 3.32Å; N497-I500 PolarHBondContact OD1-N 3.13Å; I500-L504 HydrophobicContact CB-CB 4.47Å; I500-L504 HydrophobicContact CD1-CB 3.89Å; I500-L504 HydrophobicContact CG1-CB 4.43Å; I500-T680 HydrophobicContact CG2-CG2 4.11Å; I500-T683 HydrophobicContact CG2-CG2 3.97Å; I500-F684 HydrophobicContact CD1-CB 4.49Å; I500-F684 HydrophobicContact CD1-CD2 3.87Å; I500-L687 HydrophobicContact CD1-CD2 3.62Å; I500-L687 HydrophobicContact CG1-CD2 4.46Å
501P88.8Confident89.5Confident48 Ų4841.8 Ų41.831%0.31222%0.219SC..  trans-51.5142.1173.7-26.932.2000113.4F503 L504 Y505P501-F503 HydrophobicContact CB-CD1 3.98Å; P501-F503 HydrophobicContact CB-CD2 4.32Å; P501-F503 HydrophobicContact CB-CE1 3.48Å; P501-F503 VanDerWaalsContact CB-CE1 3.48Å; P501-F503 HydrophobicContact CB-CE2 3.82Å; P501-F503 HydrophobicContact CB-CG 4.37Å; P501-F503 HydrophobicContact CB-CZ 3.39Å; P501-F503 HydrophobicContact CG-CE1 4.36Å; P501-F503 HydrophobicContact CG-CE2 4.37Å; P501-F503 HydrophobicContact CG-CZ 3.9Å; P501-F503 PolarHBondContact O-N 2.6Å; P501-F503 VanDerWaalsContact O-N 3.09Å; P501-L504 HydrophobicContact CG-CD1 4.49Å; P501-L504 WeakPolarHBondContact O-CA 3.39Å; P501-L504 WeakPolarHBondContact O-CB 3.39Å; P501-L504 PolarHBondContact O-N 3.45Å; P501-Y505 PolarHBondContact O-N 3.08Å; P501-Y505 VanDerWaalsContact O-N 3.13Å
502N88.2Confident89.7Confident74 Ų7441.4 Ų41.440%0.39622%0.218SC..Hα-helixtrans-55.5-32.5-176.7-65.710.5000113.5L504 Y505 S506 T619N502-L504 VanDerWaalsContact C-N 3.32Å; N502-L504 PolarHBondContact O-N 2.95Å; N502-Y505 VanDerWaalsContact O-CB 3.31Å; N502-Y505 WeakPolarHBondContact O-CB 3.46Å; N502-Y505 PolarHBondContact O-N 2.91Å; N502-S506 PolarHBondContact O-N 3.48Å; N502-S506 VanDerWaalsContact O-N 3.13Å; N502-S506 PolarHBondContact O-OG 3.21Å; N502-T619 VanDerWaalsContact C-OG1 3.26Å; N502-T619 HydrophobicContact CB-CG2 4.18Å; N502-T619 WeakPolarHBondContact CB-OG1 3.44Å
503F89.8Confident90Very high58 Ų5839 Ų3925%0.25420%0.197SC..Hα-helixtrans-70.6-28.3176.955.7-102000113.9P501 L507 I546 T619 A621P501-F503 HydrophobicContact CB-CD1 3.98Å; P501-F503 HydrophobicContact CB-CD2 4.32Å; P501-F503 HydrophobicContact CB-CE1 3.48Å; P501-F503 VanDerWaalsContact CB-CE1 3.48Å; P501-F503 HydrophobicContact CB-CE2 3.82Å; P501-F503 HydrophobicContact CB-CG 4.37Å; P501-F503 HydrophobicContact CB-CZ 3.39Å; P501-F503 HydrophobicContact CG-CE1 4.36Å; P501-F503 HydrophobicContact CG-CE2 4.37Å; P501-F503 HydrophobicContact CG-CZ 3.9Å; P501-F503 PolarHBondContact O-N 2.6Å; P501-F503 VanDerWaalsContact O-N 3.09Å; F503-L507 PolarHBondContact O-N 3.04Å; F503-I546 HydrophobicContact CD2-CD1 4.2Å; F503-I546 HydrophobicContact CE2-CD1 3.51Å; F503-I546 HydrophobicContact CE2-CG1 3.91Å; F503-I546 HydrophobicContact CE2-CG2 4.21Å; F503-I546 HydrophobicContact CZ-CD1 4.49Å; F503-I546 HydrophobicContact CZ-CG2 4.15Å; F503-T619 VanDerWaalsContact CA-O 3.28Å; F503-T619 WeakPolarHBondContact CA-O 3.25Å; F503-T619 PolarHBondContact N-OG1 3Å; F503-A621 HydrophobicContact CB-CB 3.61Å; F503-A621 HydrophobicContact CD2-CB 3.9Å; F503-A621 HydrophobicContact CG-CB 3.8Å
504L95.1Very high90.5Very high0 Ų032.8 Ų32.80%017%0.17CC..Hα-helixtrans-75-33.4170.2-77.5-179.4000110.7I500 P501 N502 S506 L507 A508 V543 I546 T680 F684I500-L504 HydrophobicContact CB-CB 4.47Å; I500-L504 HydrophobicContact CD1-CB 3.89Å; I500-L504 HydrophobicContact CG1-CB 4.43Å; P501-L504 HydrophobicContact CG-CD1 4.49Å; P501-L504 WeakPolarHBondContact O-CA 3.39Å; P501-L504 WeakPolarHBondContact O-CB 3.39Å; P501-L504 PolarHBondContact O-N 3.45Å; N502-L504 VanDerWaalsContact C-N 3.32Å; N502-L504 PolarHBondContact O-N 2.95Å; L504-S506 VanDerWaalsContact C-N 3.34Å; L504-S506 PolarHBondContact O-N 2.9Å; L504-L507 HydrophobicContact CD2-CD2 4.37Å; L504-L507 PolarHBondContact O-N 3.3Å; L504-A508 WeakPolarHBondContact O-CB 3.31Å; L504-A508 PolarHBondContact O-N 2.94Å; L504-V543 HydrophobicContact CD1-CG2 4.09Å; L504-V543 HydrophobicContact CD2-CG2 4.15Å; L504-I546 HydrophobicContact CD1-CD1 3.98Å; L504-I546 HydrophobicContact CD2-CD1 3.48Å; L504-I546 VanDerWaalsContact CD2-CD1 3.48Å; L504-I546 HydrophobicContact CG-CD1 3.77Å; L504-T680 HydrophobicContact CD1-CG2 3.84Å; L504-F684 HydrophobicContact CB-CD2 3.91Å; L504-F684 HydrophobicContact CB-CE2 4Å; L504-F684 HydrophobicContact CD1-CD2 4.48Å; L504-F684 HydrophobicContact CD2-CD2 4.09Å; L504-F684 HydrophobicContact CD2-CE2 3.85Å; L504-F684 HydrophobicContact CG-CD2 4.4Å; L504-F684 HydrophobicContact CG-CE2 4.48Å; L504-F684 WeakPolarHBondContact O-CE2 3.32Å
505Y95.4Very high91Very high4 Ų432.7 Ų32.72%0.01617%0.169CC..Hα-helixtrans-56-48.9171174.1-89.6000111.6P495 N497 P501 N502 L507 A508 V509 Y617 F618 L687P495-Y505 HydrophobicContact CG-CE2 4.21Å; P495-Y505 VanDerWaalsContact O-CE2 3.3Å; P495-Y505 WeakPolarHBondContact O-CE2 3.25Å; N497-Y505 HydrophobicContact CB-CD2 3.78Å; N497-Y505 HydrophobicContact CB-CE2 4.21Å; P501-Y505 PolarHBondContact O-N 3.08Å; P501-Y505 VanDerWaalsContact O-N 3.13Å; N502-Y505 VanDerWaalsContact O-CB 3.31Å; N502-Y505 WeakPolarHBondContact O-CB 3.46Å; N502-Y505 PolarHBondContact O-N 2.91Å; Y505-L507 VanDerWaalsContact C-N 3.31Å; Y505-L507 PolarHBondContact O-N 2.98Å; Y505-A508 WeakPolarHBondContact O-CB 3.38Å; Y505-A508 PolarHBondContact O-N 3.5Å; Y505-A508 VanDerWaalsContact O-N 3.1Å; Y505-V509 HydrophobicContact CD1-CG2 4.33Å; Y505-V509 HydrophobicContact CE1-CG2 3.77Å; Y505-V509 HydrophobicContact CE2-CG2 4.42Å; Y505-V509 PolarHBondContact O-N 3.36Å; Y505-Y617 WeakPolarHBondContact CD1-O 3.48Å; Y505-Y617 HydrophobicContact CE1-CD1 4.08Å; Y505-Y617 HydrophobicContact CE1-CG 4.32Å; Y505-Y617 HydrophobicContact CE2-CD1 4.45Å; Y505-Y617 AromaticContact CZ-CD1 3.82Å; Y505-F618 HydrophobicContact CD1-CD1 4.5Å; Y505-F618 HydrophobicContact CE1-CD1 4.2Å; Y505-F618 AromaticContact CE1-CE1 3.95Å; Y505-F618 HydrophobicContact CE1-CE1 3.95Å; Y505-F618 HydrophobicContact CE1-CZ 4.34Å; Y505-L687 HydrophobicContact CD2-CD2 3.9Å
506S95.8Very high91.5Very high0 Ų033.1 Ų33.10%017%0.17CC..Hα-helixtrans-59.3-41177-57.40000112.5N502 L504 V509 V510 F618 T619N502-S506 PolarHBondContact O-N 3.48Å; N502-S506 VanDerWaalsContact O-N 3.13Å; N502-S506 PolarHBondContact O-OG 3.21Å; L504-S506 VanDerWaalsContact C-N 3.34Å; L504-S506 PolarHBondContact O-N 2.9Å; S506-V509 PolarHBondContact O-N 2.85Å; S506-V510 WeakPolarHBondContact O-CG2 3.45Å; S506-V510 PolarHBondContact O-N 3.26Å; S506-F618 WeakPolarHBondContact OG-CA 3.45Å; S506-T619 WeakPolarHBondContact CB-O 3.49Å; S506-T619 PolarHBondContact OG-N 3.41Å; S506-T619 PolarHBondContact OG-O 3.21Å
507L97.3Very high92Very high0 Ų026.7 Ų26.70%014%0.14CC..Hα-helixtrans-65.4-38.7175.5-178.163.2000111.9F503 L504 Y505 V509 V510 L511 A542 F595 L626 F627 F684F503-L507 PolarHBondContact O-N 3.04Å; L504-L507 HydrophobicContact CD2-CD2 4.37Å; L504-L507 PolarHBondContact O-N 3.3Å; Y505-L507 VanDerWaalsContact C-N 3.31Å; Y505-L507 PolarHBondContact O-N 2.98Å; L507-V509 VanDerWaalsContact C-N 3.34Å; L507-V509 PolarHBondContact O-N 3.15Å; L507-V510 WeakPolarHBondContact O-CB 3.48Å; L507-V510 PolarHBondContact O-N 3.03Å; L507-L511 HydrophobicContact CD1-CD1 4.41Å; L507-L511 HydrophobicContact CD1-CG 4.19Å; L507-L511 HydrophobicContact CG-CD1 4.08Å; L507-L511 HydrophobicContact CG-CG 4.29Å; L507-L511 WeakPolarHBondContact O-CG 3.48Å; L507-L511 PolarHBondContact O-N 3.16Å; L507-A542 HydrophobicContact CD2-CB 3.67Å; L507-F595 HydrophobicContact CD1-CD2 4.35Å; L507-L626 HydrophobicContact CB-CD1 4.45Å; L507-L626 HydrophobicContact CD2-CB 4.47Å; L507-L626 HydrophobicContact CD2-CD2 4.11Å; L507-F627 HydrophobicContact CD1-CE1 4.04Å; L507-F627 HydrophobicContact CD1-CZ 3.87Å; L507-F684 HydrophobicContact CB-CE2 4.25Å; L507-F684 HydrophobicContact CB-CZ 4.3Å; L507-F684 HydrophobicContact CD2-CE2 4.35Å; L507-F684 HydrophobicContact CD2-CZ 4Å; L507-F684 HydrophobicContact CG-CE2 4.37Å; L507-F684 HydrophobicContact CG-CZ 3.96Å
508A97Very high92.8Very high0 Ų026.4 Ų26.40%014%0.138CC..Hα-helixtrans-61.5-42.9176.200000111.3L504 Y505 V510 L511 S512 F684 L687 I691L504-A508 WeakPolarHBondContact O-CB 3.31Å; L504-A508 PolarHBondContact O-N 2.94Å; Y505-A508 WeakPolarHBondContact O-CB 3.38Å; Y505-A508 PolarHBondContact O-N 3.5Å; Y505-A508 VanDerWaalsContact O-N 3.1Å; A508-V510 PolarHBondContact O-N 3.3Å; A508-L511 PolarHBondContact O-N 3.1Å; A508-S512 WeakPolarHBondContact O-CB 3.44Å; A508-S512 PolarHBondContact O-N 3.44Å; A508-S512 PolarHBondContact O-OG 3.37Å; A508-F684 HydrophobicContact CB-CD2 4.31Å; A508-F684 HydrophobicContact CB-CE2 3.89Å; A508-F684 HydrophobicContact CB-CZ 4.15Å; A508-L687 HydrophobicContact CB-CD2 3.69Å; A508-L687 HydrophobicContact CB-CG 4.06Å; A508-I691 HydrophobicContact CB-CD1 4.33Å
509V95.9Very high93.3Very high0 Ų024.7 Ų24.70%012%0.123CC..Hα-helixtrans-60.6-44.7173.7175.20000111.2F491 Y505 S506 L507 L511 S512 F513 L598 F618 I691F491-V509 HydrophobicContact CE1-CG1 3.78Å; F491-V509 HydrophobicContact CZ-CG1 3.52Å; Y505-V509 HydrophobicContact CD1-CG2 4.33Å; Y505-V509 HydrophobicContact CE1-CG2 3.77Å; Y505-V509 HydrophobicContact CE2-CG2 4.42Å; Y505-V509 PolarHBondContact O-N 3.36Å; S506-V509 PolarHBondContact O-N 2.85Å; L507-V509 VanDerWaalsContact C-N 3.34Å; L507-V509 PolarHBondContact O-N 3.15Å; V509-L511 PolarHBondContact O-N 2.66Å; V509-S512 PolarHBondContact O-N 3.26Å; V509-F513 WeakPolarHBondContact O-CB 3.49Å; V509-F513 PolarHBondContact O-N 3.06Å; V509-L598 HydrophobicContact CG1-CD2 4.1Å; V509-F618 HydrophobicContact CB-CE1 4.02Å; V509-F618 HydrophobicContact CG1-CE1 3.91Å; V509-F618 HydrophobicContact CG1-CZ 4.36Å; V509-F618 HydrophobicContact CG2-CE1 3.89Å; V509-F618 HydrophobicContact CG2-CZ 4.48Å; V509-I691 HydrophobicContact CG2-CD1 3.89Å
510V97.2Very high93Very high0 Ų020.1 Ų20.10%010%0.1CC..Hα-helixtrans-59.6-47.9176.9167.80000111.9S506 L507 A508 F513 W514 T594 F595 L598S506-V510 WeakPolarHBondContact O-CG2 3.45Å; S506-V510 PolarHBondContact O-N 3.26Å; L507-V510 WeakPolarHBondContact O-CB 3.48Å; L507-V510 PolarHBondContact O-N 3.03Å; A508-V510 PolarHBondContact O-N 3.3Å; V510-F513 PolarHBondContact O-N 3.34Å; V510-W514 WeakPolarHBondContact O-CB 3.32Å; V510-W514 PolarHBondContact O-N 3.22Å; V510-T594 HydrophobicContact CG1-CG2 4.1Å; V510-F595 HydrophobicContact CG1-CB 3.9Å; V510-F595 HydrophobicContact CG2-CB 4.39Å; V510-F595 HydrophobicContact CG2-CD2 4.08Å; V510-L598 HydrophobicContact CG2-CB 4.32Å; V510-L598 HydrophobicContact CG2-CD2 3.6Å
511L98Very high92.5Very high0 Ų020.7 Ų20.70%010%0.103CC..Hα-helixtrans-67.1-41.1-178-70.9177.7000111.6L507 A508 V509 F515 F529 V538 A539 I591 F684L507-L511 HydrophobicContact CD1-CD1 4.41Å; L507-L511 HydrophobicContact CD1-CG 4.19Å; L507-L511 HydrophobicContact CG-CD1 4.08Å; L507-L511 HydrophobicContact CG-CG 4.29Å; L507-L511 WeakPolarHBondContact O-CG 3.48Å; L507-L511 PolarHBondContact O-N 3.16Å; A508-L511 PolarHBondContact O-N 3.1Å; V509-L511 PolarHBondContact O-N 2.66Å; L511-F515 WeakPolarHBondContact O-CB 3.47Å; L511-F515 PolarHBondContact O-N 3.19Å; L511-F529 HydrophobicContact CB-CE2 3.75Å; L511-F529 HydrophobicContact CB-CZ 4.12Å; L511-F529 HydrophobicContact CD1-CE2 4.26Å; L511-F529 HydrophobicContact CD1-CZ 3.87Å; L511-F529 HydrophobicContact CG-CE2 4.41Å; L511-F529 HydrophobicContact CG-CZ 4.5Å; L511-V538 HydrophobicContact CD1-CG1 4.47Å; L511-V538 HydrophobicContact CD2-CB 4.49Å; L511-V538 HydrophobicContact CD2-CG1 4.09Å; L511-A539 HydrophobicContact CD1-CB 4.4Å; L511-I591 HydrophobicContact CD2-CD1 3.84Å; L511-I591 HydrophobicContact CD2-CG1 4.07Å; L511-I591 HydrophobicContact CD2-CG2 3.66Å; L511-F684 HydrophobicContact CD1-CE1 3.79Å; L511-F684 HydrophobicContact CD1-CZ 3.75Å
512S96Very high91.7Very high1 Ų123.8 Ų23.81%0.00713%0.126CC..Hα-helixtrans-64.4-43.7176.5-50.50000111.2A508 V509 F515 Q516 C688A508-S512 WeakPolarHBondContact O-CB 3.44Å; A508-S512 PolarHBondContact O-N 3.44Å; A508-S512 PolarHBondContact O-OG 3.37Å; V509-S512 PolarHBondContact O-N 3.26Å; S512-F515 PolarHBondContact O-N 3.15Å; S512-Q516 WeakPolarHBondContact O-CB 3.21Å; S512-Q516 WeakPolarHBondContact O-CG 3.45Å; S512-Q516 PolarHBondContact O-N 3.1Å; S512-C688 VanDerWaalsContact OG-CA 3.27Å; S512-C688 WeakPolarHBondContact OG-CA 3.48Å; S512-C688 PolarHBondContact OG-O 3.19Å; S512-C688 VanDerWaalsContact OG-O 3.07Å
513F95.8Very high91.2Very high4 Ų423.3 Ų23.32%0.01812%0.123CC..Hα-helixtrans-62-53.7176.5-169.9-84.7000111.2T420 L423 I424 L489 F491 V509 V510 F515 Q516 Q517 T594 I693T420-F513 WeakPolarHBondContact O-CE1 3.43Å; L423-F513 HydrophobicContact CB-CZ 4.13Å; L423-F513 HydrophobicContact CD1-CZ 4.45Å; I424-F513 HydrophobicContact CD1-CD1 3.8Å; I424-F513 HydrophobicContact CD1-CE1 3.62Å; I424-F513 HydrophobicContact CD1-CG 4.44Å; I424-F513 HydrophobicContact CD1-CZ 4.16Å; I424-F513 HydrophobicContact CG1-CD1 4.41Å; I424-F513 HydrophobicContact CG1-CE1 3.78Å; I424-F513 HydrophobicContact CG1-CZ 3.86Å; L489-F513 HydrophobicContact CB-CE2 4.18Å; L489-F513 HydrophobicContact CD1-CE2 4.41Å; L489-F513 HydrophobicContact CD2-CE2 4.49Å; F491-F513 HydrophobicContact CE2-CD2 4.41Å; F491-F513 AromaticContact CZ-CD2 3.89Å; F491-F513 HydrophobicContact CZ-CD2 3.89Å; V509-F513 WeakPolarHBondContact O-CB 3.49Å; V509-F513 PolarHBondContact O-N 3.06Å; V510-F513 PolarHBondContact O-N 3.34Å; F513-F515 VanDerWaalsContact C-N 3.34Å; F513-F515 PolarHBondContact O-N 3.03Å; F513-Q516 PolarHBondContact O-N 3.33Å; F513-Q517 HydrophobicContact CD1-CG 3.81Å; F513-Q517 HydrophobicContact CE1-CG 3.51Å; F513-Q517 HydrophobicContact CZ-CG 4.08Å; F513-Q517 VanDerWaalsContact O-CG 3.3Å; F513-Q517 WeakPolarHBondContact O-CG 3.3Å; F513-Q517 PolarHBondContact O-N 3.05Å; F513-T594 HydrophobicContact CD1-CG2 3.83Å; F513-I693 VanDerWaalsContact CA-CD1 3.44Å; F513-I693 HydrophobicContact CB-CD1 3.85Å; F513-I693 HydrophobicContact CD2-CD1 3.51Å; F513-I693 HydrophobicContact CD2-CG1 4.46Å; F513-I693 HydrophobicContact CE2-CD1 4.39Å; F513-I693 HydrophobicContact CG-CD1 4.04Å
514W96.1Very high90.8Very high3 Ų329.7 Ų29.71%0.01115%0.153CC..Hα-helixtrans-53.1-50.9176.2162.277.1000111.7V510 Q516 Q517 L518 V534 I591 T594V510-W514 WeakPolarHBondContact O-CB 3.32Å; V510-W514 PolarHBondContact O-N 3.22Å; W514-Q516 PolarHBondContact O-N 3.41Å; W514-Q517 PolarHBondContact O-N 3.44Å; W514-L518 HydrophobicContact CH2-CD1 4.04Å; W514-L518 HydrophobicContact CZ2-CD1 3.69Å; W514-L518 HydrophobicContact CZ2-CG 4.5Å; W514-L518 PolarHBondContact O-N 2.84Å; W514-V534 HydrophobicContact CH2-CB 4.32Å; W514-I591 HydrophobicContact CB-CG1 4.41Å; W514-I591 HydrophobicContact CD2-CD1 3.95Å; W514-I591 HydrophobicContact CD2-CG1 3.35Å; W514-I591 HydrophobicContact CE3-CD1 3.88Å; W514-I591 HydrophobicContact CE3-CG1 3.73Å; W514-I591 HydrophobicContact CG-CG1 3.65Å; W514-I591 HydrophobicContact CH2-CD1 3.93Å; W514-I591 HydrophobicContact CH2-CG1 4.38Å; W514-I591 HydrophobicContact CZ2-CD1 3.99Å; W514-I591 HydrophobicContact CZ2-CG1 4.05Å; W514-I591 HydrophobicContact CZ3-CD1 3.87Å; W514-I591 HydrophobicContact CZ3-CG1 4.23Å; W514-T594 HydrophobicContact CB-CG2 4.31Å
515F95.7Very high90.4Very high10 Ų1031.7 Ų31.74%0.04416%0.164CC..Hα-helixtrans-61.4-43.1-177-178-104.4000112.1L511 S512 F513 L518 P526 V528 F529L511-F515 WeakPolarHBondContact O-CB 3.47Å; L511-F515 PolarHBondContact O-N 3.19Å; S512-F515 PolarHBondContact O-N 3.15Å; F513-F515 VanDerWaalsContact C-N 3.34Å; F513-F515 PolarHBondContact O-N 3.03Å; F515-L518 HydrophobicContact CD2-CD1 4.42Å; F515-L518 WeakPolarHBondContact O-CB 3.38Å; F515-L518 PolarHBondContact O-N 2.8Å; F515-P526 WeakPolarHBondContact CZ-O 3.32Å; F515-V528 VanDerWaalsContact CZ-C 3.43Å; F515-V528 VanDerWaalsContact CZ-O 3.32Å; F515-V528 WeakPolarHBondContact CZ-O 3.48Å; F515-F529 HydrophobicContact CB-CD2 4.11Å; F515-F529 HydrophobicContact CD1-CB 4.03Å; F515-F529 HydrophobicContact CD2-CD2 4.38Å; F515-F529 HydrophobicContact CE1-CB 4.23Å; F515-F529 HydrophobicContact CG-CB 4.28Å; F515-F529 HydrophobicContact CG-CD2 4.16Å
516Q93.2Very high90.1Very high23 Ų2333 Ų3311%0.10717%0.173CC..Hα-helixtrans-68-38.6177.1-73.9179.466.600112S512 F513 W514 L518 K519 I691 I693 L695S512-Q516 WeakPolarHBondContact O-CB 3.21Å; S512-Q516 WeakPolarHBondContact O-CG 3.45Å; S512-Q516 PolarHBondContact O-N 3.1Å; F513-Q516 PolarHBondContact O-N 3.33Å; W514-Q516 PolarHBondContact O-N 3.41Å; Q516-L518 PolarHBondContact O-N 3Å; Q516-K519 VanDerWaalsContact O-CB 3.29Å; Q516-K519 WeakPolarHBondContact O-CB 3.38Å; Q516-K519 WeakPolarHBondContact O-CG 3.29Å; Q516-K519 PolarHBondContact O-N 2.65Å; Q516-I691 PolarHBondContact NE2-O 2.96Å; Q516-I693 HydrophobicContact CB-CD1 4.48Å; Q516-I693 PolarHBondContact OE1-O 2.93Å; Q516-L695 HydrophobicContact CB-CD1 4.22Å; Q516-L695 WeakPolarHBondContact O-CD1 3.36Å
517Q91.7Very high89.8Confident12 Ų1237.2 Ų37.26%0.05620%0.202CC..Hα-helixtrans-62-23.6175.3-67.2-53-37.600113.2T420 F513 W514 K519 N520T420-Q517 HydrophobicContact CG2-CB 4.29Å; F513-Q517 HydrophobicContact CD1-CG 3.81Å; F513-Q517 HydrophobicContact CE1-CG 3.51Å; F513-Q517 HydrophobicContact CZ-CG 4.08Å; F513-Q517 VanDerWaalsContact O-CG 3.3Å; F513-Q517 WeakPolarHBondContact O-CG 3.3Å; F513-Q517 PolarHBondContact O-N 3.05Å; W514-Q517 PolarHBondContact O-N 3.44Å; Q517-K519 PolarHBondContact O-N 2.97Å; Q517-N520 WeakPolarHBondContact O-CB 3.23Å; Q517-N520 PolarHBondContact O-N 2.85Å; Q517-N520 VanDerWaalsContact O-N 3.08Å; Q517-N520 PolarHBondContact OE1-ND2 2.65Å
518L90.3Very high89.7Confident15 Ų1540 Ų408%0.07922%0.219CC..G310 helixtrans-62.1-22.6173.9-61.5176.3000112.9T420 W514 F515 Q516 N520 T521 I525T420-L518 HydrophobicContact CG2-CD2 3.92Å; W514-L518 HydrophobicContact CH2-CD1 4.04Å; W514-L518 HydrophobicContact CZ2-CD1 3.69Å; W514-L518 HydrophobicContact CZ2-CG 4.5Å; W514-L518 PolarHBondContact O-N 2.84Å; F515-L518 HydrophobicContact CD2-CD1 4.42Å; F515-L518 WeakPolarHBondContact O-CB 3.38Å; F515-L518 PolarHBondContact O-N 2.8Å; Q516-L518 PolarHBondContact O-N 3Å; L518-N520 PolarHBondContact O-N 3.26Å; L518-T521 WeakPolarHBondContact O-CA 3.36Å; L518-T521 WeakPolarHBondContact O-CB 3.32Å; L518-T521 PolarHBondContact O-N 3.24Å; L518-T521 PolarHBondContact O-OG1 3.17Å; L518-I525 HydrophobicContact CB-CD1 4.06Å; L518-I525 HydrophobicContact CB-CG2 3.65Å; L518-I525 HydrophobicContact CD1-CG2 3.87Å; L518-I525 HydrophobicContact CG-CG2 4.39Å
519K86.1Confident89.7Confident121 Ų12140.1 Ų40.153%0.52622%0.22SC..G310 helixtrans-62-24.9174.3-66.5177.4179.5179.60113Q516 Q517 I525 L695Q516-K519 VanDerWaalsContact O-CB 3.29Å; Q516-K519 WeakPolarHBondContact O-CB 3.38Å; Q516-K519 WeakPolarHBondContact O-CG 3.29Å; Q516-K519 PolarHBondContact O-N 2.65Å; Q517-K519 PolarHBondContact O-N 2.97Å; K519-I525 HydrophobicContact CB-CD1 4.47Å; K519-I525 HydrophobicContact CG-CD1 3.52Å; K519-L695 HydrophobicContact CB-CD1 4.12Å; K519-L695 HydrophobicContact CD-CD1 4.11Å
520N80.1Confident89.8Confident43 Ų4340.9 Ų40.923%0.2323%0.225CC..G310 helixtrans-84.10175.1-64.2-27.3000112.5Q517 L518Q517-N520 WeakPolarHBondContact O-CB 3.23Å; Q517-N520 PolarHBondContact O-N 2.85Å; Q517-N520 VanDerWaalsContact O-N 3.08Å; Q517-N520 PolarHBondContact OE1-ND2 2.65Å; L518-N520 PolarHBondContact O-N 3.26Å
521T78.5Confident89.7Confident18 Ų1842.7 Ų42.711%0.1123%0.233CC..SBendtrans-104.1157.5177.775.60000110L415 L518 I523L415-T521 HydrophobicContact CD1-CG2 3.99Å; L518-T521 WeakPolarHBondContact O-CA 3.36Å; L518-T521 WeakPolarHBondContact O-CB 3.32Å; L518-T521 PolarHBondContact O-N 3.24Å; L518-T521 PolarHBondContact O-OG1 3.17Å; T521-I523 PolarHBondContact O-N 3.29Å; T521-I523 WeakPolarHBondContact OG1-CB 3.28Å; T521-I523 WeakPolarHBondContact OG1-CG1 3.47Å; T521-I523 PolarHBondContact OG1-N 2.97Å
522S73Confident89.7Confident114 Ų11443 Ų4380%0.79724%0.236SC*.SBendtrans-74.814.7174.9-470000113.8
523I78.1Confident89.7Confident63 Ų6343.6 Ų43.632%0.32324%0.24SC..SBendtrans-88.6130.7-176.8-56.7174.5000108.5T521 I525T521-I523 PolarHBondContact O-N 3.29Å; T521-I523 WeakPolarHBondContact OG1-CB 3.28Å; T521-I523 WeakPolarHBondContact OG1-CG1 3.47Å; T521-I523 PolarHBondContact OG1-N 2.97Å; I523-I525 HydrophobicContact CG2-CG2 4.32Å; I523-I525 PolarHBondContact O-N 2.9Å
524E81.2Confident89.8Confident192 Ų19243.7 Ų43.790%0.89724%0.241SC*.  trans-65.9121.8169.4-172.9176.2-176.200109.5
525I86.2Confident89.9Confident42 Ų4243.6 Ų43.622%0.21524%0.24CC..  trans-121.5151.2-18064.3169.4000111.5L518 K519 I523L518-I525 HydrophobicContact CB-CD1 4.06Å; L518-I525 HydrophobicContact CB-CG2 3.65Å; L518-I525 HydrophobicContact CD1-CG2 3.87Å; L518-I525 HydrophobicContact CG-CG2 4.39Å; K519-I525 HydrophobicContact CB-CD1 4.47Å; K519-I525 HydrophobicContact CG-CD1 3.52Å; I523-I525 HydrophobicContact CG2-CG2 4.32Å; I523-I525 PolarHBondContact O-N 2.9Å
526P89.3Confident90Very high32 Ų3243.1 Ų43.121%0.20824%0.238CC..  trans-59.5163.7171.4-21.932.8000113.3F515 E531F515-P526 WeakPolarHBondContact CZ-O 3.32Å; P526-E531 HydrophobicContact CB-CB 3.43Å; P526-E531 VanDerWaalsContact CB-CB 3.43Å; P526-E531 HydrophobicContact CG-CB 4.17Å
527S89.5Confident90.3Very high89 Ų8942 Ų4262%0.62223%0.233SC*.SBendtrans-71-35.2-17667.30000112.9E531S527-E531 PolarHBondContact N-OE2 3.27Å; S527-E531 PolarHBondContact OG-OE2 2.82Å
528V95Very high90.6Very high58 Ų5841.5 Ų41.535%0.35223%0.231SC..SBendtrans-132.9157.7-177.6-64.30000110.7F515 S530 E531F515-V528 VanDerWaalsContact CZ-C 3.43Å; F515-V528 VanDerWaalsContact CZ-O 3.32Å; F515-V528 WeakPolarHBondContact CZ-O 3.48Å; V528-S530 VanDerWaalsContact C-N 3.26Å; V528-S530 WeakPolarHBondContact CG2-OG 3.04Å; V528-S530 PolarHBondContact O-N 2.96Å; V528-E531 HydrophobicContact CG2-CB 4.29Å; V528-E531 HydrophobicContact CG2-CG 3.65Å; V528-E531 PolarHBondContact O-N 3.23Å; V528-E531 VanDerWaalsContact O-N 3.15Å
529F96.6Very high91Very high3 Ų340.8 Ų40.81%0.01323%0.227CC..G310 helixtrans-64-35.2-177.4168.1-88000111.5L511 F515 E531 S532 C688 D689L511-F529 HydrophobicContact CB-CE2 3.75Å; L511-F529 HydrophobicContact CB-CZ 4.12Å; L511-F529 HydrophobicContact CD1-CE2 4.26Å; L511-F529 HydrophobicContact CD1-CZ 3.87Å; L511-F529 HydrophobicContact CG-CE2 4.41Å; L511-F529 HydrophobicContact CG-CZ 4.5Å; F515-F529 HydrophobicContact CB-CD2 4.11Å; F515-F529 HydrophobicContact CD1-CB 4.03Å; F515-F529 HydrophobicContact CD2-CD2 4.38Å; F515-F529 HydrophobicContact CE1-CB 4.23Å; F515-F529 HydrophobicContact CG-CB 4.28Å; F515-F529 HydrophobicContact CG-CD2 4.16Å; F529-E531 PolarHBondContact O-N 2.76Å; F529-S532 WeakPolarHBondContact O-CB 3.43Å; F529-S532 PolarHBondContact O-N 3.01Å; F529-C688 HydrophobicContact CB-CB 4.4Å; F529-C688 HydrophobicContact CD1-CB 3.38Å; F529-C688 HydrophobicContact CD2-CB 4.44Å; F529-C688 HydrophobicContact CE1-CB 3.69Å; F529-C688 HydrophobicContact CG-CB 3.82Å; F529-C688 HydrophobicContact CZ-CB 4.34Å; F529-D689 WeakPolarHBondContact CA-OD1 2.98Å; F529-D689 VanDerWaalsContact CB-OD1 3.26Å; F529-D689 WeakPolarHBondContact CB-OD1 3.19Å; F529-D689 PolarHBondContact N-OD1 3.36Å
530S97.2Very high91.5Very high15 Ų1535 Ų3511%0.10520%0.202CC..G310 helixtrans-61.6-6.2176.447.50000115.3V528 L536 D689V528-S530 VanDerWaalsContact C-N 3.26Å; V528-S530 WeakPolarHBondContact CG2-OG 3.04Å; V528-S530 PolarHBondContact O-N 2.96Å; S530-L536 WeakPolarHBondContact O-CD1 3.21Å; S530-D689 WeakPolarHBondContact CB-OD2 3.45Å; S530-D689 PolarHBondContact N-OD1 3.36Å; S530-D689 PolarHBondContact OG-OD2 3.45Å
531E96.9Very high92.4Very high38 Ų3833 Ų3318%0.17819%0.192CC..G310 helixtrans-103.4-4172.6-66.8178.2155.400112.8P526 S527 V528 F529 S533 P645 R648P526-E531 HydrophobicContact CB-CB 3.43Å; P526-E531 VanDerWaalsContact CB-CB 3.43Å; P526-E531 HydrophobicContact CG-CB 4.17Å; S527-E531 PolarHBondContact N-OE2 3.27Å; S527-E531 PolarHBondContact OG-OE2 2.82Å; V528-E531 HydrophobicContact CG2-CB 4.29Å; V528-E531 HydrophobicContact CG2-CG 3.65Å; V528-E531 PolarHBondContact O-N 3.23Å; V528-E531 VanDerWaalsContact O-N 3.15Å; F529-E531 PolarHBondContact O-N 2.76Å; E531-S533 PolarHBondContact O-N 2.85Å; E531-P645 HydrophobicContact CB-CB 4.01Å; E531-P645 HydrophobicContact CG-CB 4.15Å; E531-R648 WeakPolarHBondContact O-CD 3.19Å; E531-R648 PolarHBondContact O-NH1 2.66Å
532S96.9Very high93.3Very high8 Ų832.2 Ų32.26%0.05619%0.186CC..  trans-76.2117.2179.7-175.70000111.8F529 G535 L536F529-S532 WeakPolarHBondContact O-CB 3.43Å; F529-S532 PolarHBondContact O-N 3.01Å; S532-G535 PolarHBondContact OG-N 3.33Å; S532-G535 VanDerWaalsContact OG-N 3.16Å; S532-L536 VanDerWaalsContact O-CB 3.24Å; S532-L536 WeakPolarHBondContact O-CB 3.49Å; S532-L536 WeakPolarHBondContact O-CG 3.3Å; S532-L536 PolarHBondContact O-N 3.42Å
533S96.8Very high94.4Very high12 Ų1226.8 Ų26.88%0.08415%0.148CC..Hα-helixtrans-60.8-48.9177.354.40000112.2E531 A537 L640E531-S533 PolarHBondContact O-N 2.85Å; S533-A537 VanDerWaalsContact O-CB 3.3Å; S533-A537 WeakPolarHBondContact O-CB 3.33Å; S533-A537 PolarHBondContact O-N 3.01Å; S533-L640 WeakPolarHBondContact O-CD1 3.29Å
534V97.4Very high95.3Very high7 Ų723.8 Ų23.84%0.04213%0.133CC..Hα-helixtrans-70.4-43.6179.6-176.60000111.6W514 L536 A537 V538 V584 F588 I591 A637W514-V534 HydrophobicContact CH2-CB 4.32Å; V534-L536 PolarHBondContact O-N 2.85Å; V534-A537 PolarHBondContact O-N 3.07Å; V534-V538 WeakPolarHBondContact O-CG2 3.26Å; V534-V538 PolarHBondContact O-N 3.12Å; V534-V584 HydrophobicContact CG2-CG1 4.24Å; V534-F588 HydrophobicContact CG1-CB 4.49Å; V534-I591 HydrophobicContact CG1-CD1 3.95Å; V534-A637 HydrophobicContact CG2-CB 4.05Å
535G98.1Very high96Very high0 Ų015 Ų150%09%0.092CC..Hα-helixtrans-59.4-47.417900000112.1S532 V538 A539S532-G535 PolarHBondContact OG-N 3.33Å; S532-G535 VanDerWaalsContact OG-N 3.16Å; G535-V538 PolarHBondContact O-N 3.23Å; G535-A539 WeakPolarHBondContact O-CB 3.28Å; G535-A539 PolarHBondContact O-N 3.08Å
536L98.6Very high96.4Very high0 Ų014.3 Ų14.30%09%0.089CC..Hα-helixtrans-66.2-38.7176-71.1175.8000113S530 S532 V534 A539 S540 L640 R648 V652 I685S530-L536 WeakPolarHBondContact O-CD1 3.21Å; S532-L536 VanDerWaalsContact O-CB 3.24Å; S532-L536 WeakPolarHBondContact O-CB 3.49Å; S532-L536 WeakPolarHBondContact O-CG 3.3Å; S532-L536 PolarHBondContact O-N 3.42Å; V534-L536 PolarHBondContact O-N 2.85Å; L536-A539 PolarHBondContact O-N 3.03Å; L536-S540 WeakPolarHBondContact O-CB 3.38Å; L536-S540 PolarHBondContact O-N 3.21Å; L536-S540 PolarHBondContact O-OG 2.63Å; L536-L640 HydrophobicContact CB-CD1 4.05Å; L536-R648 HydrophobicContact CD1-CB 3.68Å; L536-V652 HydrophobicContact CB-CG2 3.98Å; L536-V652 HydrophobicContact CD1-CG2 4.12Å; L536-I685 HydrophobicContact CD2-CD1 3.59Å; L536-I685 HydrophobicContact CD2-CG1 3.97Å; L536-I685 HydrophobicContact CD2-CG2 4.4Å
537A98.3Very high96.6Very high0 Ų014.3 Ų14.30%09%0.085CC..Hα-helixtrans-60.6-47.8176.900000111.1S533 V534 S540 C541 V633 L636 A637 L640S533-A537 VanDerWaalsContact O-CB 3.3Å; S533-A537 WeakPolarHBondContact O-CB 3.33Å; S533-A537 PolarHBondContact O-N 3.01Å; V534-A537 PolarHBondContact O-N 3.07Å; A537-S540 PolarHBondContact O-OG 3.32Å; A537-C541 WeakPolarHBondContact O-CB 3.31Å; A537-C541 PolarHBondContact O-N 3.23Å; A537-C541 PolarHBondContact O-SG 3.12Å; A537-V633 HydrophobicContact CB-CG1 4.24Å; A537-L636 HydrophobicContact CB-CB 4.05Å; A537-L636 HydrophobicContact CB-CD2 4.04Å; A537-L636 HydrophobicContact CB-CG 3.89Å; A537-A637 HydrophobicContact CB-CB 3.88Å; A537-L640 HydrophobicContact CB-CD1 4.42Å
538V98.4Very high96.7Very high1 Ų110.1 Ų10.11%0.0066%0.055CC..Hα-helixtrans-60.1-49.1174.7171.80000111.5L511 V534 G535 S540 C541 A542 F588 I591 F627 V633L511-V538 HydrophobicContact CD1-CG1 4.47Å; L511-V538 HydrophobicContact CD2-CB 4.49Å; L511-V538 HydrophobicContact CD2-CG1 4.09Å; V534-V538 WeakPolarHBondContact O-CG2 3.26Å; V534-V538 PolarHBondContact O-N 3.12Å; G535-V538 PolarHBondContact O-N 3.23Å; V538-S540 PolarHBondContact O-N 3.19Å; V538-C541 PolarHBondContact O-N 3.22Å; V538-A542 WeakPolarHBondContact O-CB 3.32Å; V538-A542 PolarHBondContact O-N 3.27Å; V538-F588 HydrophobicContact CG2-CD2 3.74Å; V538-F588 HydrophobicContact CG2-CE2 4.08Å; V538-I591 HydrophobicContact CG1-CG2 4.48Å; V538-I591 HydrophobicContact CG2-CD1 3.94Å; V538-F627 HydrophobicContact CG1-CD1 4Å; V538-F627 HydrophobicContact CG1-CE1 3.72Å; V538-V633 HydrophobicContact CG2-CG1 3.76Å; V538-V633 HydrophobicContact CG2-CG2 4.37Å
539A98.3Very high95.9Very high0 Ų013.7 Ų13.70%07%0.073CC..Hα-helixtrans-56.4-49.2-179.800000112.1L511 G535 L536 A542 V543 L681 F684L511-A539 HydrophobicContact CD1-CB 4.4Å; G535-A539 WeakPolarHBondContact O-CB 3.28Å; G535-A539 PolarHBondContact O-N 3.08Å; L536-A539 PolarHBondContact O-N 3.03Å; A539-A542 PolarHBondContact O-N 2.95Å; A539-V543 WeakPolarHBondContact O-CB 3.48Å; A539-V543 VanDerWaalsContact O-CG2 3.3Å; A539-V543 WeakPolarHBondContact O-CG2 3.42Å; A539-V543 PolarHBondContact O-N 3.21Å; A539-L681 HydrophobicContact CB-CD1 4.08Å; A539-F684 HydrophobicContact CB-CD1 3.89Å; A539-F684 HydrophobicContact CB-CE1 3.49Å; A539-F684 VanDerWaalsContact CB-CE1 3.49Å; A539-F684 HydrophobicContact CB-CZ 4.48Å
540S97.9Very high95Very high0 Ų017.2 Ų17.20%011%0.11CC..Hα-helixtrans-66.7-39.3179.565.60000113.2L536 A537 V538 A544 L636L536-S540 WeakPolarHBondContact O-CB 3.38Å; L536-S540 PolarHBondContact O-N 3.21Å; L536-S540 PolarHBondContact O-OG 2.63Å; A537-S540 PolarHBondContact O-OG 3.32Å; V538-S540 PolarHBondContact O-N 3.19Å; S540-A544 WeakPolarHBondContact O-CB 3.44Å; S540-A544 PolarHBondContact O-N 3.01Å; S540-L636 WeakPolarHBondContact OG-CD2 3.48Å
541C97.8Very high94.5Very high2 Ų217.4 Ų17.41%0.01411%0.111CC..Hα-helixtrans-64.8-45.2176.7-690000110.9A537 V538 N545 P628 V633A537-C541 WeakPolarHBondContact O-CB 3.31Å; A537-C541 PolarHBondContact O-N 3.23Å; A537-C541 PolarHBondContact O-SG 3.12Å; V538-C541 PolarHBondContact O-N 3.22Å; C541-N545 WeakPolarHBondContact O-CB 3.46Å; C541-N545 PolarHBondContact O-N 3.36Å; C541-P628 HydrophobicContact CB-CG 4.45Å; C541-V633 HydrophobicContact CB-CG2 4.21Å
542A97.3Very high94.1Very high0 Ų017.9 Ų17.90%012%0.118CC..Hα-helixtrans-59.2-55176.700000110.9L507 V538 A539 N545 I546 L626L507-A542 HydrophobicContact CD2-CB 3.67Å; V538-A542 WeakPolarHBondContact O-CB 3.32Å; V538-A542 PolarHBondContact O-N 3.27Å; A539-A542 PolarHBondContact O-N 2.95Å; A542-N545 PolarHBondContact O-N 2.73Å; A542-I546 VanDerWaalsContact O-CD1 3.28Å; A542-I546 WeakPolarHBondContact O-CD1 3.44Å; A542-I546 VanDerWaalsContact O-CG1 3.31Å; A542-I546 WeakPolarHBondContact O-CG1 3.36Å; A542-I546 PolarHBondContact O-N 3.33Å; A542-L626 HydrophobicContact CB-CD2 4.29Å; A542-L626 WeakPolarHBondContact CB-O 3.34Å
543V97.3Very high93.7Very high0 Ų019 Ų190%012%0.124CC..Hα-helixtrans-61.8-48.4-1781740000111L504 A539 N545 I546 Y547 V677 T680 L681L504-V543 HydrophobicContact CD1-CG2 4.09Å; L504-V543 HydrophobicContact CD2-CG2 4.15Å; A539-V543 WeakPolarHBondContact O-CB 3.48Å; A539-V543 VanDerWaalsContact O-CG2 3.3Å; A539-V543 WeakPolarHBondContact O-CG2 3.42Å; A539-V543 PolarHBondContact O-N 3.21Å; V543-N545 VanDerWaalsContact C-N 3.27Å; V543-N545 PolarHBondContact O-N 2.89Å; V543-I546 PolarHBondContact O-N 2.99Å; V543-Y547 HydrophobicContact CG1-CD2 4.06Å; V543-Y547 HydrophobicContact CG1-CE2 4.16Å; V543-Y547 VanDerWaalsContact O-CD2 3.31Å; V543-Y547 WeakPolarHBondContact O-CD2 3.46Å; V543-Y547 PolarHBondContact O-N 3.07Å; V543-V677 HydrophobicContact CG1-CG1 3.9Å; V543-T680 HydrophobicContact CG1-CG2 4.26Å; V543-L681 HydrophobicContact CB-CD1 4.32Å; V543-L681 HydrophobicContact CG1-CB 4.18Å; V543-L681 HydrophobicContact CG2-CD1 3.99Å
544A96.3Very high93.3Very high0 Ų019.3 Ų19.30%013%0.125CC..Hα-helixtrans-58.6-41.5178.200000111.9S540 Y547 N548 L657 L660 L661S540-A544 WeakPolarHBondContact O-CB 3.44Å; S540-A544 PolarHBondContact O-N 3.01Å; A544-Y547 CarbonylContact O-C 3.58Å; A544-Y547 PolarHBondContact O-N 3.24Å; A544-N548 WeakPolarHBondContact O-CB 2.97Å; A544-N548 VanDerWaalsContact O-CG 3.28Å; A544-N548 PolarHBondContact O-N 3.4Å; A544-N548 PolarHBondContact O-ND2 3.46Å; A544-L657 HydrophobicContact CB-CD1 4.11Å; A544-L660 HydrophobicContact CB-CB 3.52Å; A544-L660 HydrophobicContact CB-CD1 4.32Å; A544-L661 HydrophobicContact CB-CD2 4.3Å
545N96Very high93Very high8 Ų821.8 Ų21.84%0.04314%0.137CC..Hα-helixtrans-67.7-39.9-178.8-165.649.6000113.4C541 A542 V543 Y547 N548 Y560 W624 I625 P628C541-N545 WeakPolarHBondContact O-CB 3.46Å; C541-N545 PolarHBondContact O-N 3.36Å; A542-N545 PolarHBondContact O-N 2.73Å; V543-N545 VanDerWaalsContact C-N 3.27Å; V543-N545 PolarHBondContact O-N 2.89Å; N545-Y547 PolarHBondContact O-N 2.97Å; N545-N548 PolarHBondContact O-N 3.49Å; N545-Y560 VanDerWaalsContact CA-OH 3.25Å; N545-Y560 WeakPolarHBondContact CA-OH 3.41Å; N545-Y560 WeakPolarHBondContact CB-OH 3.38Å; N545-Y560 VanDerWaalsContact OD1-CE2 3.31Å; N545-Y560 WeakPolarHBondContact OD1-CE2 3.33Å; N545-Y560 PolarHBondContact OD1-OH 3.21Å; N545-W624 PolarHBondContact ND2-O 3.14Å; N545-I625 WeakPolarHBondContact ND2-CA 3.3Å; N545-I625 PolarHBondContact ND2-O 2.91Å; N545-P628 HydrophobicContact CB-CG 4.1Å
546I94.1Very high92.8Very high28 Ų2822.1 Ų22.114%0.14414%0.139CC..Hα-helixtrans-56.2-43.1172.8-70.2152.1000110.7F503 L504 A542 V543 N548 D549 I625 L626F503-I546 HydrophobicContact CD2-CD1 4.2Å; F503-I546 HydrophobicContact CE2-CD1 3.51Å; F503-I546 HydrophobicContact CE2-CG1 3.91Å; F503-I546 HydrophobicContact CE2-CG2 4.21Å; F503-I546 HydrophobicContact CZ-CD1 4.49Å; F503-I546 HydrophobicContact CZ-CG2 4.15Å; L504-I546 HydrophobicContact CD1-CD1 3.98Å; L504-I546 HydrophobicContact CD2-CD1 3.48Å; L504-I546 VanDerWaalsContact CD2-CD1 3.48Å; L504-I546 HydrophobicContact CG-CD1 3.77Å; A542-I546 VanDerWaalsContact O-CD1 3.28Å; A542-I546 WeakPolarHBondContact O-CD1 3.44Å; A542-I546 VanDerWaalsContact O-CG1 3.31Å; A542-I546 WeakPolarHBondContact O-CG1 3.36Å; A542-I546 PolarHBondContact O-N 3.33Å; V543-I546 PolarHBondContact O-N 2.99Å; I546-N548 VanDerWaalsContact C-N 3.29Å; I546-N548 PolarHBondContact O-N 3.05Å; I546-D549 WeakPolarHBondContact O-CB 3.44Å; I546-I625 HydrophobicContact CG1-CG2 3.67Å; I546-L626 HydrophobicContact CD1-CD2 4.37Å
547Y93.3Very high92.4Very high32 Ų3222.5 Ų22.513%0.12514%0.141CC..Hα-helixtrans-80.5-8.5180-79.1-81.3000113.5V543 A544 N545 D549 R673 K676 V677 T680V543-Y547 HydrophobicContact CG1-CD2 4.06Å; V543-Y547 HydrophobicContact CG1-CE2 4.16Å; V543-Y547 VanDerWaalsContact O-CD2 3.31Å; V543-Y547 WeakPolarHBondContact O-CD2 3.46Å; V543-Y547 PolarHBondContact O-N 3.07Å; A544-Y547 CarbonylContact O-C 3.58Å; A544-Y547 PolarHBondContact O-N 3.24Å; N545-Y547 PolarHBondContact O-N 2.97Å; Y547-D549 VanDerWaalsContact C-N 3.32Å; Y547-R673 VanDerWaalsContact C-NH2 3.34Å; Y547-R673 PolarHBondContact O-NE 2.91Å; Y547-R673 PolarHBondContact O-NH2 3.21Å; Y547-K676 HydrophobicContact CE1-CD 3.75Å; Y547-K676 HydrophobicContact CE1-CG 3.89Å; Y547-K676 WeakPolarHBondContact OH-CE 3.42Å; Y547-V677 HydrophobicContact CD1-CG2 3.72Å; Y547-V677 HydrophobicContact CD2-CB 4.27Å; Y547-V677 HydrophobicContact CD2-CG1 4.2Å; Y547-V677 HydrophobicContact CD2-CG2 3.65Å; Y547-V677 HydrophobicContact CE1-CG2 4.31Å; Y547-V677 HydrophobicContact CE2-CG2 4.26Å; Y547-V677 HydrophobicContact CG-CB 4.42Å; Y547-V677 HydrophobicContact CG-CG2 3.35Å; Y547-T680 HydrophobicContact CE2-CG2 4.01Å; Y547-T680 PolarHBondContact OH-OG1 3.27Å
548N93.3Very high92.1Very high0 Ų028.1 Ų28.10%017%0.167CC..THydrogen-bonded Turntrans-88.76.2175.8-82.4-28.2000113.4A544 N545 I546 G550 S551 L556 Y560 L660 L662 R673A544-N548 WeakPolarHBondContact O-CB 2.97Å; A544-N548 VanDerWaalsContact O-CG 3.28Å; A544-N548 PolarHBondContact O-N 3.4Å; A544-N548 PolarHBondContact O-ND2 3.46Å; N545-N548 PolarHBondContact O-N 3.49Å; I546-N548 VanDerWaalsContact C-N 3.29Å; I546-N548 PolarHBondContact O-N 3.05Å; N548-G550 PolarHBondContact O-N 3.42Å; N548-G550 VanDerWaalsContact O-N 3.09Å; N548-S551 WeakPolarHBondContact O-CB 3.45Å; N548-S551 PolarHBondContact O-N 2.86Å; N548-S551 VanDerWaalsContact O-N 3.08Å; N548-S551 PolarHBondContact O-OG 3.36Å; N548-L556 HydrophobicContact CB-CD1 4.33Å; N548-L556 HydrophobicContact CB-CD2 3.7Å; N548-Y560 PolarHBondContact ND2-OH 3.38Å; N548-L660 PolarHBondContact ND2-O 3.18Å; N548-L662 PolarHBondContact OD1-N 3.23Å; N548-R673 PolarHBondContact OD1-NH2 2.62Å
549D78Confident92Very high134 Ų13430 Ų3072%0.71718%0.175SC*.THydrogen-bonded Turntrans-47.4-33.6-177.962.9-9.2000116.2I546 Y547 S551I546-D549 WeakPolarHBondContact O-CB 3.44Å; Y547-D549 VanDerWaalsContact C-N 3.32Å; D549-S551 PolarHBondContact O-N 3.03Å; D549-S551 VanDerWaalsContact O-N 3.15Å
550G77.8Confident91.8Very high77 Ų7730.1 Ų30.179%0.79418%0.176SC*.THydrogen-bonded Turntrans-70.4-2.1178.700000115.8N548N548-G550 PolarHBondContact O-N 3.42Å; N548-G550 VanDerWaalsContact O-N 3.09Å
551S84.9Confident91.4Very high19 Ų1933 Ų3313%0.13319%0.191CC..SBendtrans-102.4153.5-176.3-50.30000111.9N548 D549 L662N548-S551 WeakPolarHBondContact O-CB 3.45Å; N548-S551 PolarHBondContact O-N 2.86Å; N548-S551 VanDerWaalsContact O-N 3.08Å; N548-S551 PolarHBondContact O-OG 3.36Å; D549-S551 PolarHBondContact O-N 3.03Å; D549-S551 VanDerWaalsContact O-N 3.15Å; S551-L662 WeakPolarHBondContact OG-CD2 3.24Å
552S88.4Confident91.2Very high47 Ų4737 Ų3733%0.32921%0.212SC..  trans-67.4144.2175.281.30000110.8N203 S554 E555 L556N203-S552 PolarHBondContact ND2-OG 3.38Å; S552-S554 PolarHBondContact O-N 2.78Å; S552-E555 WeakPolarHBondContact O-CB 3.3Å; S552-E555 PolarHBondContact O-N 3.03Å; S552-E555 VanDerWaalsContact OG-CB 3.23Å; S552-E555 WeakPolarHBondContact OG-CB 3.2Å; S552-E555 PolarHBondContact OG-N 2.77Å; S552-L556 PolarHBondContact O-N 3.4Å
553I89Confident90.9Very high33 Ų3338 Ų3817%0.16922%0.218CC..Hα-helixtrans-56.5-38.5-178.7-65.2162.6000111.9L52 Y55 M56 L556 C557L52-I553 HydrophobicContact CD1-CG2 4Å; L52-I553 HydrophobicContact CG-CG2 4.35Å; Y55-I553 HydrophobicContact CD1-CD1 3.95Å; Y55-I553 HydrophobicContact CE1-CD1 3.62Å; M56-I553 HydrophobicContact CB-CG2 3.77Å; M56-I553 HydrophobicContact CG-CG2 4.09Å; M56-I553 HydrophobicContact SD-CG2 4.46Å; I553-L556 PolarHBondContact O-N 3.28Å; I553-C557 PolarHBondContact O-N 3.26Å; I553-C557 PolarHBondContact O-SG 2.98Å
554S88.2Confident90.5Very high17 Ų1738.5 Ų38.512%0.11922%0.221CC..Hα-helixtrans-64.9-44.1177.7-177.90000111.9L201 N203 S552 L556 C557 E558L201-S554 VanDerWaalsContact CD2-OG 3.25Å; L201-S554 WeakPolarHBondContact CD2-OG 3.31Å; N203-S554 VanDerWaalsContact ND2-CB 3.3Å; N203-S554 WeakPolarHBondContact ND2-CB 3.19Å; S552-S554 PolarHBondContact O-N 2.78Å; S554-L556 VanDerWaalsContact C-N 3.3Å; S554-L556 PolarHBondContact O-N 3.44Å; S554-C557 WeakPolarHBondContact O-CB 3.42Å; S554-C557 PolarHBondContact O-N 3.48Å; S554-E558 PolarHBondContact O-N 3.03Å
555E92Very high89.8Confident59 Ų5942.6 Ų42.628%0.27625%0.246SC..Hα-helixtrans-64-39.8178.5-174.9179.3-15900110.7S552 E558 F559 L662 K664S552-E555 WeakPolarHBondContact O-CB 3.3Å; S552-E555 PolarHBondContact O-N 3.03Å; S552-E555 VanDerWaalsContact OG-CB 3.23Å; S552-E555 WeakPolarHBondContact OG-CB 3.2Å; S552-E555 PolarHBondContact OG-N 2.77Å; E555-E558 PolarHBondContact O-N 2.78Å; E555-F559 WeakPolarHBondContact O-CB 3.3Å; E555-F559 PolarHBondContact O-N 3.44Å; E555-L662 HydrophobicContact CG-CD2 3.78Å; E555-K664 WeakPolarHBondContact OE1-CE 3.5Å; E555-K664 IonicContact OE1-NZ 2.73Å; E555-K664 PolarHBondContact OE1-NZ 3.04Å; E555-K664 WeakPolarHBondContact OE2-CE 3.18Å; E555-K664 IonicContact OE2-NZ 3.05Å; E555-K664 PolarHBondContact OE2-NZ 3.32Å
556L93.1Very high88.9Confident8 Ų846.9 Ų46.94%0.04227%0.267CS..Hα-helixtrans-65.4-41.2174.1-68.5176000112.9L52 N548 S552 I553 S554 F559 Y560 L662L52-L556 HydrophobicContact CD2-CB 3.92Å; N548-L556 HydrophobicContact CB-CD1 4.33Å; N548-L556 HydrophobicContact CB-CD2 3.7Å; S552-L556 PolarHBondContact O-N 3.4Å; I553-L556 PolarHBondContact O-N 3.28Å; S554-L556 VanDerWaalsContact C-N 3.3Å; S554-L556 PolarHBondContact O-N 3.44Å; L556-F559 PolarHBondContact O-N 3.23Å; L556-Y560 WeakPolarHBondContact O-CD2 3.46Å; L556-Y560 PolarHBondContact O-N 3.24Å; L556-L662 HydrophobicContact CD2-CB 4.31Å; L556-L662 HydrophobicContact CD2-CD2 3.86Å
557C91.6Very high87.5Confident8 Ų850.3 Ų50.35%0.05429%0.291CS..Hα-helixtrans-57.6-49.8173.5-74.40000111.3L52 I553 S554 N561L52-C557 VanDerWaalsContact CG-SG 3.58Å; I553-C557 PolarHBondContact O-N 3.26Å; I553-C557 PolarHBondContact O-SG 2.98Å; S554-C557 WeakPolarHBondContact O-CB 3.42Å; S554-C557 PolarHBondContact O-N 3.48Å; C557-N561 VanDerWaalsContact O-CB 3.28Å; C557-N561 WeakPolarHBondContact O-CB 3.46Å; C557-N561 VanDerWaalsContact O-CG 3.24Å; C557-N561 PolarHBondContact O-N 3.14Å; C557-N561 PolarHBondContact O-ND2 3.25Å
558E92.1Very high85.6Confident118 Ų11850.3 Ų50.355%0.55129%0.294SS*.Hα-helixtrans-62.8-45.8179.4-174.4179.3173.500111.3S554 E555 Y560 N561 N562S554-E558 PolarHBondContact O-N 3.03Å; E555-E558 PolarHBondContact O-N 2.78Å; E558-Y560 PolarHBondContact O-N 3.44Å; E558-N561 PolarHBondContact O-N 3.33Å; E558-N562 WeakPolarHBondContact O-CB 3.28Å; E558-N562 PolarHBondContact O-N 3.09Å; E558-N562 PolarHBondContact O-ND2 3.14Å
559F94.6Very high83.7Confident39 Ų3954.9 Ų54.917%0.17132%0.315CS..Hα-helixtrans-57.8-50.7178.2174.3-113.8000112.5E555 L556 N561 N562 L563 K659 L660 L662E555-F559 WeakPolarHBondContact O-CB 3.3Å; E555-F559 PolarHBondContact O-N 3.44Å; L556-F559 PolarHBondContact O-N 3.23Å; F559-N561 PolarHBondContact O-N 3.37Å; F559-N562 PolarHBondContact O-N 3.36Å; F559-L563 HydrophobicContact CD1-CD1 4.14Å; F559-L563 HydrophobicContact CD2-CD1 4.44Å; F559-L563 HydrophobicContact CD2-CG 4.47Å; F559-L563 HydrophobicContact CE1-CD1 3.59Å; F559-L563 HydrophobicContact CE2-CD1 3.94Å; F559-L563 HydrophobicContact CE2-CG 4.16Å; F559-L563 HydrophobicContact CZ-CD1 3.51Å; F559-L563 HydrophobicContact CZ-CG 4.23Å; F559-L563 WeakPolarHBondContact O-CG 3.3Å; F559-L563 PolarHBondContact O-N 3.45Å; F559-K659 VanDerWaalsContact CZ-O 3.3Å; F559-K659 WeakPolarHBondContact CZ-O 3.38Å; F559-L660 WeakPolarHBondContact CE1-O 3.31Å; F559-L662 HydrophobicContact CB-CD1 4.46Å; F559-L662 HydrophobicContact CD1-CB 4.13Å; F559-L662 HydrophobicContact CD1-CD1 4.47Å; F559-L662 HydrophobicContact CD2-CD1 3.74Å; F559-L662 HydrophobicContact CE1-CB 4.01Å; F559-L662 HydrophobicContact CE2-CD1 3.98Å; F559-L662 HydrophobicContact CG-CB 4.48Å; F559-L662 HydrophobicContact CG-CD1 3.98Å; F559-L662 HydrophobicContact CZ-CB 4.25Å; F559-L662 HydrophobicContact CZ-CD1 4.42Å
560Y94.3Very high82.1Confident4 Ų453.1 Ų53.12%0.01631%0.305CS..Hα-helixtrans-66.6-36.5177.8-67.3-26.6000112.8L52 N545 N548 L556 E558 L563 S564 P628 L632L52-Y560 HydrophobicContact CD2-CD2 3.87Å; L52-Y560 HydrophobicContact CD2-CE2 4Å; N545-Y560 VanDerWaalsContact CA-OH 3.25Å; N545-Y560 WeakPolarHBondContact CA-OH 3.41Å; N545-Y560 WeakPolarHBondContact CB-OH 3.38Å; N545-Y560 VanDerWaalsContact OD1-CE2 3.31Å; N545-Y560 WeakPolarHBondContact OD1-CE2 3.33Å; N545-Y560 PolarHBondContact OD1-OH 3.21Å; N548-Y560 PolarHBondContact ND2-OH 3.38Å; L556-Y560 WeakPolarHBondContact O-CD2 3.46Å; L556-Y560 PolarHBondContact O-N 3.24Å; E558-Y560 PolarHBondContact O-N 3.44Å; Y560-L563 HydrophobicContact CD1-CD1 4.37Å; Y560-L563 PolarHBondContact O-N 2.85Å; Y560-S564 WeakPolarHBondContact O-CB 3.41Å; Y560-S564 PolarHBondContact O-N 3.2Å; Y560-S564 PolarHBondContact O-OG 3.2Å; Y560-P628 HydrophobicContact CD2-CB 4.19Å; Y560-P628 HydrophobicContact CE2-CB 3.9Å; Y560-P628 HydrophobicContact CE2-CG 4.14Å; Y560-L632 HydrophobicContact CD1-CD2 3.66Å; Y560-L632 HydrophobicContact CD2-CD2 4.38Å; Y560-L632 HydrophobicContact CE1-CD2 4.18Å; Y560-L632 HydrophobicContact CG-CD2 3.79Å
561N90.6Very high80.6Confident60 Ų6051.9 Ų51.932%0.32128%0.28SS..Hα-helixtrans-61-46173.4-80.7-35.2000111.2C557 E558 F559 S564 T565C557-N561 VanDerWaalsContact O-CB 3.28Å; C557-N561 WeakPolarHBondContact O-CB 3.46Å; C557-N561 VanDerWaalsContact O-CG 3.24Å; C557-N561 PolarHBondContact O-N 3.14Å; C557-N561 PolarHBondContact O-ND2 3.25Å; E558-N561 PolarHBondContact O-N 3.33Å; F559-N561 PolarHBondContact O-N 3.37Å; N561-S564 PolarHBondContact O-N 3.23Å; N561-S564 PolarHBondContact O-OG 3.37Å; N561-T565 PolarHBondContact O-N 3.47Å; N561-T565 PolarHBondContact O-OG1 3.11Å
562N92Very high78.6Confident85 Ų8559 Ų5946%0.45532%0.315SS..Hα-helixtrans-63.5-44.2178.3-70.3-18.6000111.7E558 F559 S564 T565 M566E558-N562 WeakPolarHBondContact O-CB 3.28Å; E558-N562 PolarHBondContact O-N 3.09Å; E558-N562 PolarHBondContact O-ND2 3.14Å; F559-N562 PolarHBondContact O-N 3.36Å; N562-S564 VanDerWaalsContact C-N 3.32Å; N562-S564 PolarHBondContact O-N 2.97Å; N562-T565 PolarHBondContact O-N 2.87Å; N562-T565 VanDerWaalsContact O-N 3.1Å; N562-T565 PolarHBondContact O-OG1 3.4Å; N562-M566 PolarHBondContact O-N 3.15Å
563L91.7Very high76.4Confident23 Ų2361.1 Ų61.112%0.1233%0.329CS..Hα-helixtrans-59.3-42.3174.6-75.3178.9000112.4F559 Y560 T565 M566 L632 K659 L660F559-L563 HydrophobicContact CD1-CD1 4.14Å; F559-L563 HydrophobicContact CD2-CD1 4.44Å; F559-L563 HydrophobicContact CD2-CG 4.47Å; F559-L563 HydrophobicContact CE1-CD1 3.59Å; F559-L563 HydrophobicContact CE2-CD1 3.94Å; F559-L563 HydrophobicContact CE2-CG 4.16Å; F559-L563 HydrophobicContact CZ-CD1 3.51Å; F559-L563 HydrophobicContact CZ-CG 4.23Å; F559-L563 WeakPolarHBondContact O-CG 3.3Å; F559-L563 PolarHBondContact O-N 3.45Å; Y560-L563 HydrophobicContact CD1-CD1 4.37Å; Y560-L563 PolarHBondContact O-N 2.85Å; L563-T565 PolarHBondContact O-N 3.46Å; L563-T565 VanDerWaalsContact O-N 3.16Å; L563-M566 HydrophobicContact CD2-CE 4.46Å; L563-M566 WeakPolarHBondContact O-CB 3.22Å; L563-M566 WeakPolarHBondContact O-CG 3.37Å; L563-M566 PolarHBondContact O-N 3.44Å; L563-M566 VanDerWaalsContact O-N 3.15Å; L563-L632 HydrophobicContact CB-CD1 4.15Å; L563-K659 WeakPolarHBondContact CD1-O 3.48Å; L563-L660 HydrophobicContact CD1-CD2 4.31Å
564S88.8Confident74.1Confident9 Ų963 Ų636%0.06336%0.357CS..THydrogen-bonded Turntrans-68.4-9178.276.70000114.4Y560 N561 N562 K631Y560-S564 WeakPolarHBondContact O-CB 3.41Å; Y560-S564 PolarHBondContact O-N 3.2Å; Y560-S564 PolarHBondContact O-OG 3.2Å; N561-S564 PolarHBondContact O-N 3.23Å; N561-S564 PolarHBondContact O-OG 3.37Å; N562-S564 VanDerWaalsContact C-N 3.32Å; N562-S564 PolarHBondContact O-N 2.97Å; S564-K631 WeakPolarHBondContact OG-CD 3.38Å; S564-K631 WeakPolarHBondContact OG-CE 3.48Å; S564-K631 PolarHBondContact OG-NZ 3.07Å
565T82.5Confident71.8Confident87 Ų8765.4 Ų65.453%0.53437%0.374SS..THydrogen-bonded Turntrans-109.20.8176.255.90000113.3N561 N562 L563 K631N561-T565 PolarHBondContact O-N 3.47Å; N561-T565 PolarHBondContact O-OG1 3.11Å; N562-T565 PolarHBondContact O-N 2.87Å; N562-T565 VanDerWaalsContact O-N 3.1Å; N562-T565 PolarHBondContact O-OG1 3.4Å; L563-T565 PolarHBondContact O-N 3.46Å; L563-T565 VanDerWaalsContact O-N 3.16Å; T565-K631 VanDerWaalsContact CG2-NZ 3.3Å
566M76.2Confident69.3Low97 Ų9772.5 Ų72.548%0.47840%0.404SS..SBendtrans-55.9134.1173.7-74-74.6177.300108.7N562 L563 D568 F635N562-M566 PolarHBondContact O-N 3.15Å; L563-M566 HydrophobicContact CD2-CE 4.46Å; L563-M566 WeakPolarHBondContact O-CB 3.22Å; L563-M566 WeakPolarHBondContact O-CG 3.37Å; L563-M566 PolarHBondContact O-N 3.44Å; L563-M566 VanDerWaalsContact O-N 3.15Å; M566-D568 PolarHBondContact O-N 3.13Å; M566-F635 HydrophobicContact CB-CZ 4.17Å; M566-F635 WeakPolarHBondContact O-CE2 3.33Å
567P65.5Low66.9Low100 Ų10077 Ų7765%0.64943%0.432SS*.PPolyproline II helixtrans-55.2138172.822.9-31.1000108.5Q569P567-Q569 PolarHBondContact O-N 3.36Å
568D53.6Low65Low33 Ų3380.7 Ų80.718%0.17645%0.454CS..PPolyproline II helixtrans-47.5131.2175.2-63.5-32.4000107.9M566 L570 L571 Q639M566-D568 PolarHBondContact O-N 3.13Å; D568-L570 PolarHBondContact O-N 3.39Å; D568-L571 HydrophobicContact CB-CB 4.04Å; D568-L571 HydrophobicContact CB-CD1 3.74Å; D568-L571 HydrophobicContact CB-CG 3.7Å; D568-L571 PolarHBondContact O-N 2.93Å; D568-L571 WeakPolarHBondContact OD2-CD1 3.36Å; D568-Q639 PolarHBondContact OD1-NE2 3.38Å
569Q51.7Low64.2Low96 Ų9678.1 Ų78.145%0.44945%0.449SS..THydrogen-bonded Turntrans-61.4-14.4177.5-79163.74500111.5P567 K659P567-Q569 PolarHBondContact O-N 3.36Å; Q569-K659 VanDerWaalsContact CD-NZ 3.27Å; Q569-K659 VanDerWaalsContact OE1-NZ 3.13Å
570L46.3Very low63.8Low97 Ų9777.2 Ų77.251%0.50845%0.445SS..THydrogen-bonded Turntrans-95.8-4.6176.4-69.6163.7000114.7D568 I572 S573 S642D568-L570 PolarHBondContact O-N 3.39Å; L570-I572 PolarHBondContact O-N 3.26Å; L570-S573 PolarHBondContact O-N 3.03Å; L570-S642 WeakPolarHBondContact CD1-OG 3.37Å
571L44.6Very low63.6Low50 Ų5080.5 Ų80.526%0.26246%0.457SS..G310 helixtrans-73.830.7179.6-89.6170.6000114.9D568 S573 S575D568-L571 HydrophobicContact CB-CB 4.04Å; D568-L571 HydrophobicContact CB-CD1 3.74Å; D568-L571 HydrophobicContact CB-CG 3.7Å; D568-L571 PolarHBondContact O-N 2.93Å; D568-L571 WeakPolarHBondContact OD2-CD1 3.36Å; L571-S573 PolarHBondContact O-N 2.63Å; L571-S575 WeakPolarHBondContact CD2-O 3.32Å
572I44.5Very low63.7Low169 Ų16978.2 Ų78.287%0.86745%0.447SS*.G310 helixtrans-63.6-16.2154.7-59.5176.6000110L570L570-I572 PolarHBondContact O-N 3.26Å
573S42Very low63.7Low91 Ų9176.5 Ų76.564%0.63644%0.438SS*.G310 helixtrans-98.447.4175.159.90000115.1L570 L571 S575L570-S573 PolarHBondContact O-N 3.03Å; L571-S573 PolarHBondContact O-N 2.63Å; S573-S575 VanDerWaalsContact C-N 3.31Å; S573-S575 PolarHBondContact O-N 2.68Å
574G40.5Very low63.9Low73 Ų7375.6 Ų75.675%0.75343%0.433SS*.  trans63.2-9.1149.200000122K576G574-K576 PolarHBondContact O-N 2.97Å
575S39.2Very low64.2Low67 Ų6775.2 Ų75.247%0.46943%0.43SS..  trans-93.897.2-179.470.40000112.6L571 S573 T577L571-S575 WeakPolarHBondContact CD2-O 3.32Å; S573-S575 VanDerWaalsContact C-N 3.31Å; S573-S575 PolarHBondContact O-N 2.68Å; S575-T577 PolarHBondContact O-N 3.06Å
576K40.5Very low64.7Low209 Ų20971.7 Ų71.791%0.90941%0.408SS*.  trans-66.822-177.2-77.7-173.4175.9-1800117G574G574-K576 PolarHBondContact O-N 2.97Å
577T41.6Very low65.7Low103 Ų10368.1 Ų68.163%0.63239%0.392SS*.  trans-121.4112.8175.755.30000108.8S575 S579S575-T577 PolarHBondContact O-N 3.06Å; T577-S579 VanDerWaalsContact C-N 3.34Å; T577-S579 PolarHBondContact O-N 3.26Å
578T51.9Low67.2Low84 Ų8463.4 Ų63.452%0.51536%0.362SS..  trans-56.6105.8158.445.20000106Y580T578-Y580 PolarHBondContact O-N 2.83Å
579S74.5Confident69.2Low65 Ų6562 Ų6246%0.45535%0.354SS..  trans-67.8115-178.985.20000106.4T577 R581T577-S579 VanDerWaalsContact C-N 3.34Å; T577-S579 PolarHBondContact O-N 3.26Å; S579-R581 PolarHBondContact O-N 2.96Å
580Y87.2Confident71.3Confident19 Ų1957.5 Ų57.58%0.07533%0.333CS..  trans-53.4129.3170.5174.5-93.6000109.4L46 Y47 L105 P110 V408 T578 A582 V585L46-Y580 HydrophobicContact CD1-CD2 4.35Å; L46-Y580 HydrophobicContact CD1-CE1 4.37Å; L46-Y580 HydrophobicContact CD1-CE2 3.61Å; L46-Y580 HydrophobicContact CD2-CD2 4.31Å; L46-Y580 HydrophobicContact CD2-CE2 4.15Å; L46-Y580 HydrophobicContact CG-CD2 4.23Å; L46-Y580 HydrophobicContact CG-CE2 3.57Å; L46-Y580 PolarHBondContact O-OH 3.5Å; Y47-Y580 HydrophobicContact CD1-CD2 4.31Å; Y47-Y580 HydrophobicContact CD1-CE2 4.02Å; Y47-Y580 AromaticContact CE1-CD2 3.63Å; Y47-Y580 HydrophobicContact CE1-CD2 3.63Å; Y47-Y580 AromaticContact CE1-CE2 3.79Å; Y47-Y580 HydrophobicContact CE1-CE2 3.79Å; L105-Y580 HydrophobicContact CD2-CD1 4.37Å; L105-Y580 HydrophobicContact CD2-CE1 3.52Å; P110-Y580 HydrophobicContact CB-CD1 4.16Å; P110-Y580 HydrophobicContact CB-CD2 4.3Å; P110-Y580 HydrophobicContact CB-CG 3.98Å; P110-Y580 HydrophobicContact CG-CG 4.37Å; V408-Y580 WeakPolarHBondContact CG1-OH 3.19Å; T578-Y580 PolarHBondContact O-N 2.83Å; Y580-A582 HydrophobicContact CE1-CB 4.14Å; Y580-V585 HydrophobicContact CE2-CG2 4.02Å
581R90.9Very high73.8Confident73 Ų7352.9 Ų52.928%0.27531%0.309SS..  trans-117.1103.9-174.9-73.4-76.3-63.4-88.4-5.7109.6S579 D583 V584 V585 H634 D641S579-R581 PolarHBondContact O-N 2.96Å; R581-D583 VanDerWaalsContact C-N 3.31Å; R581-D583 WeakPolarHBondContact CB-OD1 3.34Å; R581-D583 IonicContact CZ-OD1 3.47Å; R581-D583 IonicContact CZ-OD2 3.56Å; R581-D583 IonicContact NE-OD1 3.25Å; R581-D583 PolarHBondContact NE-OD1 2.94Å; R581-D583 IonicContact NE-OD2 3.8Å; R581-D583 PolarHBondContact NE-OD2 2.78Å; R581-D583 IonicContact NH2-OD1 3.7Å; R581-D583 IonicContact NH2-OD2 2.62Å; R581-D583 PolarHBondContact NH2-OD2 3.29Å; R581-D583 PolarHBondContact O-N 3.43Å; R581-V584 HydrophobicContact CB-CB 4.22Å; R581-V584 HydrophobicContact CB-CG2 3.95Å; R581-V584 PolarHBondContact O-N 3.18Å; R581-V585 PolarHBondContact O-N 3.42Å; R581-H634 PolarHBondContact N-NE2 2.9Å; R581-H634 VanDerWaalsContact N-NE2 3.17Å; R581-D641 IonicContact CZ-OD2 3.42Å; R581-D641 IonicContact NH1-OD2 2.71Å; R581-D641 PolarHBondContact NH1-OD2 2.7Å; R581-D641 IonicContact NH2-OD2 3.37Å; R581-D641 PolarHBondContact NH2-OD2 3.06Å
582A91.9Very high76.3Confident13 Ų1350.5 Ų50.511%0.10730%0.297CS..Hα-helixtrans-67.3-31.5-176.300000112.8L105 D410 Y580 V585 H586L105-A582 HydrophobicContact CD2-CB 4.23Å; D410-A582 HydrophobicContact CB-CB 4.33Å; Y580-A582 HydrophobicContact CE1-CB 4.14Å; A582-V585 PolarHBondContact O-N 2.93Å; A582-H586 VanDerWaalsContact O-CB 3.3Å; A582-H586 WeakPolarHBondContact O-CB 3.47Å; A582-H586 PolarHBondContact O-N 2.86Å
583D92.7Very high78.8Confident49 Ų4942.6 Ų42.626%0.26226%0.257SS..Hα-helixtrans-62.8-39.317756.8-64.2000112.9D410 R581 S587D410-D583 HydrophobicContact CB-CB 4.41Å; R581-D583 VanDerWaalsContact C-N 3.31Å; R581-D583 WeakPolarHBondContact CB-OD1 3.34Å; R581-D583 IonicContact CZ-OD1 3.47Å; R581-D583 IonicContact CZ-OD2 3.56Å; R581-D583 IonicContact NE-OD1 3.25Å; R581-D583 PolarHBondContact NE-OD1 2.94Å; R581-D583 IonicContact NE-OD2 3.8Å; R581-D583 PolarHBondContact NE-OD2 2.78Å; R581-D583 IonicContact NH2-OD1 3.7Å; R581-D583 IonicContact NH2-OD2 2.62Å; R581-D583 PolarHBondContact NH2-OD2 3.29Å; R581-D583 PolarHBondContact O-N 3.43Å; D583-S587 WeakPolarHBondContact O-CB 3.36Å; D583-S587 PolarHBondContact O-N 2.97Å; D583-S587 PolarHBondContact O-OG 2.94Å
584V94.7Very high81.4Confident3 Ų338.3 Ų38.32%0.01823%0.226CC..Hα-helixtrans-66.6-45.7174.4171.90000110.8V534 R581 S587 F588 H634 A637V534-V584 HydrophobicContact CG2-CG1 4.24Å; R581-V584 HydrophobicContact CB-CB 4.22Å; R581-V584 HydrophobicContact CB-CG2 3.95Å; R581-V584 PolarHBondContact O-N 3.18Å; V584-S587 PolarHBondContact O-N 3.49Å; V584-F588 PolarHBondContact O-N 3.42Å; V584-H634 HydrophobicContact CG1-CB 4.31Å; V584-A637 HydrophobicContact CG1-CB 3.62Å; V584-A637 HydrophobicContact CG2-CB 4.46Å
585V94.7Very high84.1Confident1 Ų134.8 Ų34.81%0.00619%0.191CC..Hα-helixtrans-65.7-39.7178.4177.70000111.3Y47 V408 Y580 R581 A582 F588 N589Y47-V585 HydrophobicContact CD1-CG2 4.3Å; V408-V585 HydrophobicContact CB-CG1 4Å; V408-V585 HydrophobicContact CG1-CG1 3.85Å; Y580-V585 HydrophobicContact CE2-CG2 4.02Å; R581-V585 PolarHBondContact O-N 3.42Å; A582-V585 PolarHBondContact O-N 2.93Å; V585-F588 PolarHBondContact O-N 2.85Å; V585-N589 WeakPolarHBondContact O-CB 3.17Å; V585-N589 PolarHBondContact O-N 2.98Å
586H94.7Very high86.8Confident13 Ų1332.8 Ų32.86%0.0618%0.175CC..Hα-helixtrans-56.4-52.8173.7178.199.8000110.9D410 L415 V417 A582 F588 N589 A590D410-H586 HydrophobicContact CB-CB 3.87Å; D410-H586 PolarHBondContact N-ND1 3.49Å; L415-H586 PolarHBondContact O-CE1 3.28Å; L415-H586 VanDerWaalsContact O-CE1 3.26Å; V417-H586 HydrophobicContact CG1-CB 4.45Å; V417-H586 WeakPolarHBondContact CG1-ND1 3.2Å; V417-H586 WeakPolarHBondContact CG1-O 3.31Å; A582-H586 VanDerWaalsContact O-CB 3.3Å; A582-H586 WeakPolarHBondContact O-CB 3.47Å; A582-H586 PolarHBondContact O-N 2.86Å; H586-F588 VanDerWaalsContact C-N 3.32Å; H586-F588 PolarHBondContact O-N 3.38Å; H586-N589 PolarHBondContact O-N 3.29Å; H586-A590 PolarHBondContact O-N 2.98Å
587S95.7Very high89.5Confident22 Ų2223.7 Ų23.715%0.15414%0.137CC..Hα-helixtrans-59.1-42.8179.1-660000112.1D583 V584 A590 I591D583-S587 WeakPolarHBondContact O-CB 3.36Å; D583-S587 PolarHBondContact O-N 2.97Å; D583-S587 PolarHBondContact O-OG 2.94Å; V584-S587 PolarHBondContact O-N 3.49Å; S587-A590 WeakPolarHBondContact O-CB 3.37Å; S587-A590 PolarHBondContact O-N 3.42Å; S587-I591 WeakPolarHBondContact O-CG1 3.12Å; S587-I591 PolarHBondContact O-N 2.99Å
588F97.2Very high92.1Very high2 Ų218.9 Ų18.91%0.00911%0.108CC..Hα-helixtrans-64.1-41.4176.1177.4-124.6000112.9Y47 V534 V538 V584 V585 H586 A590 I591 Q592 F627 G630 V633Y47-F588 WeakPolarHBondContact O-CD1 3.38Å; V534-F588 HydrophobicContact CG1-CB 4.49Å; V538-F588 HydrophobicContact CG2-CD2 3.74Å; V538-F588 HydrophobicContact CG2-CE2 4.08Å; V584-F588 PolarHBondContact O-N 3.42Å; V585-F588 PolarHBondContact O-N 2.85Å; H586-F588 VanDerWaalsContact C-N 3.32Å; H586-F588 PolarHBondContact O-N 3.38Å; F588-A590 VanDerWaalsContact C-N 3.34Å; F588-I591 PolarHBondContact O-N 3.46Å; F588-Q592 HydrophobicContact CE2-CG 4.25Å; F588-Q592 HydrophobicContact CZ-CG 4.3Å; F588-Q592 PolarHBondContact O-N 3.41Å; F588-F627 HydrophobicContact CE2-CB 4.24Å; F588-F627 AromaticContact CE2-CD1 3.85Å; F588-F627 HydrophobicContact CE2-CD1 3.85Å; F588-F627 HydrophobicContact CE2-CG 4.33Å; F588-F627 HydrophobicContact CZ-CB 4.04Å; F588-F627 HydrophobicContact CZ-CD1 4.48Å; F588-G630 VanDerWaalsContact CE1-CA 3.47Å; F588-V633 HydrophobicContact CB-CG1 4.44Å; F588-V633 HydrophobicContact CD2-CB 4.43Å; F588-V633 HydrophobicContact CD2-CG1 3.82Å; F588-V633 HydrophobicContact CD2-CG2 4.49Å; F588-V633 HydrophobicContact CE2-CB 4.4Å; F588-V633 HydrophobicContact CE2-CG1 4.23Å; F588-V633 HydrophobicContact CE2-CG2 4.06Å; F588-V633 HydrophobicContact CG-CG1 4.11Å; F588-V633 HydrophobicContact CZ-CG2 4.37Å
589N96.5Very high94.2Very high2 Ų215.7 Ų15.71%0.0119%0.087CC..Hα-helixtrans-65-36.5174.5-81.7-24.4000112.2G48 F119 V407 V408 V417 V585 H586 Q592 S593G48-N589 WeakPolarHBondContact CA-OD1 3.24Å; F119-N589 HydrophobicContact CD2-CB 4.46Å; F119-N589 HydrophobicContact CE2-CB 4.07Å; V407-N589 HydrophobicContact CG2-CB 4.42Å; V408-N589 PolarHBondContact O-ND2 3.49Å; V417-N589 HydrophobicContact CB-CB 4.43Å; V417-N589 HydrophobicContact CG1-CB 3.97Å; V585-N589 WeakPolarHBondContact O-CB 3.17Å; V585-N589 PolarHBondContact O-N 2.98Å; H586-N589 PolarHBondContact O-N 3.29Å; N589-Q592 PolarHBondContact O-N 2.93Å; N589-S593 PolarHBondContact O-N 2.83Å
590A96.2Very high95.2Very high2 Ų213.1 Ų13.12%0.0177%0.071CC..Hα-helixtrans-64.4-41.2174.200000112.1V417 T420 H586 S587 F588 S593 T594V417-A590 HydrophobicContact CB-CB 4.05Å; V417-A590 HydrophobicContact CG1-CB 4.45Å; T420-A590 HydrophobicContact CG2-CB 4.36Å; H586-A590 PolarHBondContact O-N 2.98Å; S587-A590 WeakPolarHBondContact O-CB 3.37Å; S587-A590 PolarHBondContact O-N 3.42Å; F588-A590 VanDerWaalsContact C-N 3.34Å; A590-S593 PolarHBondContact O-N 3.28Å; A590-T594 WeakPolarHBondContact O-CB 3.37Å; A590-T594 PolarHBondContact O-N 3.07Å; A590-T594 PolarHBondContact O-OG1 3.21Å
591I97.9Very high95.7Very high0 Ų012.2 Ų12.20%07%0.067CC..Hα-helixtrans-59.3-48.8172-68.9166.4000110.5L511 W514 V534 V538 S587 F588 S593 T594 F595 F627L511-I591 HydrophobicContact CD2-CD1 3.84Å; L511-I591 HydrophobicContact CD2-CG1 4.07Å; L511-I591 HydrophobicContact CD2-CG2 3.66Å; W514-I591 HydrophobicContact CB-CG1 4.41Å; W514-I591 HydrophobicContact CD2-CD1 3.95Å; W514-I591 HydrophobicContact CD2-CG1 3.35Å; W514-I591 HydrophobicContact CE3-CD1 3.88Å; W514-I591 HydrophobicContact CE3-CG1 3.73Å; W514-I591 HydrophobicContact CG-CG1 3.65Å; W514-I591 HydrophobicContact CH2-CD1 3.93Å; W514-I591 HydrophobicContact CH2-CG1 4.38Å; W514-I591 HydrophobicContact CZ2-CD1 3.99Å; W514-I591 HydrophobicContact CZ2-CG1 4.05Å; W514-I591 HydrophobicContact CZ3-CD1 3.87Å; W514-I591 HydrophobicContact CZ3-CG1 4.23Å; V534-I591 HydrophobicContact CG1-CD1 3.95Å; V538-I591 HydrophobicContact CG1-CG2 4.48Å; V538-I591 HydrophobicContact CG2-CD1 3.94Å; S587-I591 WeakPolarHBondContact O-CG1 3.12Å; S587-I591 PolarHBondContact O-N 2.99Å; F588-I591 PolarHBondContact O-N 3.46Å; I591-S593 VanDerWaalsContact C-N 3.33Å; I591-S593 PolarHBondContact O-N 3.1Å; I591-T594 PolarHBondContact O-N 3.33Å; I591-F595 WeakPolarHBondContact O-CB 3.37Å; I591-F595 PolarHBondContact O-N 2.86Å; I591-F627 HydrophobicContact CG2-CE1 3.94Å; I591-F627 HydrophobicContact CG2-CZ 4.25Å
592Q97.1Very high96Very high0 Ų08.9 Ų8.90%05%0.054CC..Hα-helixtrans-62.8-38.1178.3-71.9-1728200112.4G48 F119 S120 F588 N589 N596 F627G48-Q592 PolarHBondContact O-NE2 3.04Å; F119-Q592 HydrophobicContact CB-CB 4.15Å; F119-Q592 HydrophobicContact CD2-CB 4.2Å; F119-Q592 HydrophobicContact CG-CB 4.46Å; S120-Q592 PolarHBondContact OG-OE1 3.23Å; F588-Q592 HydrophobicContact CE2-CG 4.25Å; F588-Q592 HydrophobicContact CZ-CG 4.3Å; F588-Q592 PolarHBondContact O-N 3.41Å; N589-Q592 PolarHBondContact O-N 2.93Å; Q592-N596 WeakPolarHBondContact O-CB 3.4Å; Q592-N596 VanDerWaalsContact O-CG 3.3Å; Q592-N596 PolarHBondContact O-N 3.49Å; Q592-N596 PolarHBondContact O-ND2 3.15Å; Q592-F627 HydrophobicContact CG-CD2 4.23Å; Q592-F627 HydrophobicContact CG-CE2 4.42Å; Q592-F627 HydrophobicContact CG-CG 4.27Å
593S96.3Very high96.3Very high4 Ų49.7 Ų9.73%0.0286%0.058CC..Hα-helixtrans-62.9-44.2174.5-174.30000111.5Y418 S421 N589 A590 I591 N596 S597Y418-S593 WeakPolarHBondContact CD1-OG 3.48Å; S421-S593 PolarHBondContact OG-OG 3.4Å; N589-S593 PolarHBondContact O-N 2.83Å; A590-S593 PolarHBondContact O-N 3.28Å; I591-S593 VanDerWaalsContact C-N 3.33Å; I591-S593 PolarHBondContact O-N 3.1Å; S593-N596 PolarHBondContact O-N 2.99Å; S593-S597 WeakPolarHBondContact O-CB 3.34Å; S593-S597 PolarHBondContact O-N 2.97Å; S593-S597 PolarHBondContact O-OG 2.87Å
594T97.3Very high96.5Very high0 Ų07.4 Ų7.40%05%0.046CC..Hα-helixtrans-62.9-47.1177.8-52.20000111T420 I424 V510 F513 W514 A590 I591 N596 S597 L598T420-T594 PolarHBondContact OG1-OG1 3.47Å; I424-T594 HydrophobicContact CD1-CG2 3.81Å; V510-T594 HydrophobicContact CG1-CG2 4.1Å; F513-T594 HydrophobicContact CD1-CG2 3.83Å; W514-T594 HydrophobicContact CB-CG2 4.31Å; A590-T594 WeakPolarHBondContact O-CB 3.37Å; A590-T594 PolarHBondContact O-N 3.07Å; A590-T594 PolarHBondContact O-OG1 3.21Å; I591-T594 PolarHBondContact O-N 3.33Å; T594-N596 PolarHBondContact O-N 2.87Å; T594-S597 PolarHBondContact O-N 3.44Å; T594-L598 PolarHBondContact O-N 3.37Å
595F97.5Very high96.6Very high0 Ų07.2 Ų7.20%05%0.045CC..Hα-helixtrans-54.6-52.6174-179.3-92.1000111.7L507 V510 I591 S597 L598 E599 F620 P623 L626 F627L507-F595 HydrophobicContact CD1-CD2 4.35Å; V510-F595 HydrophobicContact CG1-CB 3.9Å; V510-F595 HydrophobicContact CG2-CB 4.39Å; V510-F595 HydrophobicContact CG2-CD2 4.08Å; I591-F595 WeakPolarHBondContact O-CB 3.37Å; I591-F595 PolarHBondContact O-N 2.86Å; F595-S597 VanDerWaalsContact C-N 3.31Å; F595-S597 PolarHBondContact O-N 3.08Å; F595-L598 PolarHBondContact O-N 3.46Å; F595-E599 VanDerWaalsContact CE1-OE2 3.28Å; F595-E599 WeakPolarHBondContact CE1-OE2 3.43Å; F595-E599 WeakPolarHBondContact O-CB 3.46Å; F595-E599 PolarHBondContact O-N 3.17Å; F595-F620 HydrophobicContact CD2-CD1 4.47Å; F595-F620 AromaticContact CE2-CD1 3.71Å; F595-F620 HydrophobicContact CE2-CD1 3.71Å; F595-F620 HydrophobicContact CE2-CE1 4.32Å; F595-F620 HydrophobicContact CZ-CB 4.34Å; F595-F620 AromaticContact CZ-CD1 3.77Å; F595-F620 HydrophobicContact CZ-CD1 3.77Å; F595-P623 HydrophobicContact CE1-CG 4.37Å; F595-L626 HydrophobicContact CD2-CD1 4.37Å; F595-L626 HydrophobicContact CE2-CD1 3.42Å; F595-L626 VanDerWaalsContact CE2-CD1 3.42Å; F595-L626 HydrophobicContact CZ-CD1 3.72Å; F595-F627 HydrophobicContact CB-CE2 4.13Å; F595-F627 HydrophobicContact CB-CZ 4.04Å; F595-F627 AromaticContact CD1-CE2 3.88Å; F595-F627 HydrophobicContact CD1-CE2 3.88Å; F595-F627 HydrophobicContact CD2-CE2 4.01Å; F595-F627 AromaticContact CD2-CZ 3.97Å; F595-F627 HydrophobicContact CD2-CZ 3.97Å; F595-F627 HydrophobicContact CE1-CE2 4.32Å; F595-F627 HydrophobicContact CE2-CE2 4.42Å; F595-F627 AromaticContact CG-CE2 3.72Å; F595-F627 HydrophobicContact CG-CE2 3.72Å; F595-F627 AromaticContact CG-CZ 3.92Å; F595-F627 HydrophobicContact CG-CZ 3.92Å
596N95.6Very high96.7Very high25 Ų258.3 Ų8.313%0.1345%0.051CC..Hα-helixtrans-66.2-34.6-175.5-76.7-49000113F119 K123 Q592 S593 T594 G600F119-N596 WeakPolarHBondContact CB-ND2 3.34Å; K123-N596 WeakPolarHBondContact CD-OD1 3.49Å; K123-N596 VanDerWaalsContact CE-OD1 3.32Å; K123-N596 WeakPolarHBondContact CE-OD1 3.42Å; K123-N596 PolarHBondContact NZ-OD1 3.02Å; Q592-N596 WeakPolarHBondContact O-CB 3.4Å; Q592-N596 VanDerWaalsContact O-CG 3.3Å; Q592-N596 PolarHBondContact O-N 3.49Å; Q592-N596 PolarHBondContact O-ND2 3.15Å; S593-N596 PolarHBondContact O-N 2.99Å; T594-N596 PolarHBondContact O-N 2.87Å; N596-G600 PolarHBondContact O-N 3.31Å; N596-G600 VanDerWaalsContact O-N 3.12Å
597S96.6Very high96.9Very high17 Ų178 Ų812%0.1195%0.05CC..Hα-helixtrans-68.4-47176.4-56.70000110.8I424 S593 T594 F595 G600 V601I424-S597 VanDerWaalsContact CG2-C 3.49Å; S593-S597 WeakPolarHBondContact O-CB 3.34Å; S593-S597 PolarHBondContact O-N 2.97Å; S593-S597 PolarHBondContact O-OG 2.87Å; T594-S597 PolarHBondContact O-N 3.44Å; F595-S597 VanDerWaalsContact C-N 3.31Å; F595-S597 PolarHBondContact O-N 3.08Å; S597-G600 PolarHBondContact O-N 3.38Å; S597-V601 WeakPolarHBondContact O-CG2 3.45Å; S597-V601 PolarHBondContact O-N 3.16Å
598L97.1Very high97Very high3 Ų38 Ų82%0.0165%0.048CC..Hα-helixtrans-64.3-47.5-178.2-173.961.9000111.8I424 I485 L489 V509 V510 T594 F595 G600 V601 I602 F618 F620I424-L598 HydrophobicContact CD1-CB 4.22Å; I485-L598 HydrophobicContact CD1-CD1 4.47Å; L489-L598 HydrophobicContact CD1-CD1 4.16Å; V509-L598 HydrophobicContact CG1-CD2 4.1Å; V510-L598 HydrophobicContact CG2-CB 4.32Å; V510-L598 HydrophobicContact CG2-CD2 3.6Å; T594-L598 PolarHBondContact O-N 3.37Å; F595-L598 PolarHBondContact O-N 3.46Å; L598-G600 VanDerWaalsContact C-N 3.27Å; L598-G600 PolarHBondContact O-N 3.01Å; L598-V601 PolarHBondContact O-N 2.99Å; L598-I602 HydrophobicContact CD1-CD1 3.84Å; L598-I602 HydrophobicContact CD1-CG1 4.49Å; L598-I602 HydrophobicContact CD2-CD1 4.48Å; L598-I602 HydrophobicContact CG-CD1 3.8Å; L598-I602 PolarHBondContact O-N 2.87Å; L598-F618 HydrophobicContact CD2-CE1 4.47Å; L598-F620 HydrophobicContact CD2-CZ 4.41Å; L598-F620 HydrophobicContact CG-CZ 4.22Å
599E96.5Very high97Very high17 Ų178.3 Ų8.38%0.0795%0.05CC..Hα-helixtrans-58.5-41.8175.4-178-179.1-175.800111.3K123 Y127 F595 I602 T603 F620K123-E599 IonicContact NZ-OE2 2.78Å; K123-E599 PolarHBondContact NZ-OE2 3.08Å; Y127-E599 PolarHBondContact OH-OE1 2.94Å; F595-E599 VanDerWaalsContact CE1-OE2 3.28Å; F595-E599 WeakPolarHBondContact CE1-OE2 3.43Å; F595-E599 WeakPolarHBondContact O-CB 3.46Å; F595-E599 PolarHBondContact O-N 3.17Å; E599-I602 PolarHBondContact O-N 3.31Å; E599-T603 VanDerWaalsContact O-CB 3.23Å; E599-T603 WeakPolarHBondContact O-CB 3.49Å; E599-T603 PolarHBondContact O-N 2.98Å; E599-T603 PolarHBondContact O-OG1 3.22Å; E599-F620 HydrophobicContact CB-CD1 3.78Å; E599-F620 HydrophobicContact CB-CD2 4.11Å; E599-F620 HydrophobicContact CB-CE1 3.86Å; E599-F620 HydrophobicContact CB-CE2 4.19Å; E599-F620 HydrophobicContact CB-CG 3.91Å; E599-F620 HydrophobicContact CB-CZ 4.08Å; E599-F620 HydrophobicContact CG-CB 3.98Å; E599-F620 HydrophobicContact CG-CD1 4.02Å; E599-F620 HydrophobicContact CG-CD2 3.76Å; E599-F620 HydrophobicContact CG-CE1 4.49Å; E599-F620 HydrophobicContact CG-CE2 4.27Å; E599-F620 HydrophobicContact CG-CG 3.63Å
600G95.9Very high97Very high11 Ų1110.6 Ų10.611%0.1137%0.065CC..Hα-helixtrans-62.3-44.4179.500000112.8N596 S597 L598 T604N596-G600 PolarHBondContact O-N 3.31Å; N596-G600 VanDerWaalsContact O-N 3.12Å; S597-G600 PolarHBondContact O-N 3.38Å; L598-G600 VanDerWaalsContact C-N 3.27Å; L598-G600 PolarHBondContact O-N 3.01Å; G600-T604 WeakPolarHBondContact O-CB 3.11Å; G600-T604 PolarHBondContact O-N 3.43Å; G600-T604 PolarHBondContact O-OG1 3.46Å
601V97.1Very high96.9Very high0 Ų017.4 Ų17.40%010%0.096CC..Hα-helixtrans-64.8-48.8177.5171.70000111I424 L427 D428 I431 I485 S597 L598 T603 T604 L605I424-V601 HydrophobicContact CG2-CB 4.43Å; I424-V601 HydrophobicContact CG2-CG2 3.76Å; L427-V601 HydrophobicContact CD2-CG1 4.29Å; L427-V601 HydrophobicContact CG-CG1 4.38Å; D428-V601 HydrophobicContact CB-CG2 3.52Å; I431-V601 HydrophobicContact CD1-CG1 3.62Å; I485-V601 HydrophobicContact CD1-CG1 3.74Å; S597-V601 WeakPolarHBondContact O-CG2 3.45Å; S597-V601 PolarHBondContact O-N 3.16Å; L598-V601 PolarHBondContact O-N 2.99Å; V601-T603 PolarHBondContact O-N 3.49Å; V601-T604 WeakPolarHBondContact O-CB 3.41Å; V601-T604 PolarHBondContact O-N 2.89Å; V601-T604 VanDerWaalsContact O-N 3.17Å; V601-L605 HydrophobicContact CG1-CD1 3.97Å; V601-L605 HydrophobicContact CG1-CG 4.48Å; V601-L605 PolarHBondContact O-N 2.91Å
602I97.5Very high96.9Very high2 Ų223.6 Ų23.61%0.0113%0.13CC..Hα-helixtrans-64.2-42.2-178.8-73.5163.2000111.4T481 I485 L598 E599 T604 L605 N606 F618 F620T481-I602 HydrophobicContact CG2-CB 4.49Å; T481-I602 HydrophobicContact CG2-CG1 4.32Å; T481-I602 HydrophobicContact CG2-CG2 4.12Å; I485-I602 HydrophobicContact CD1-CG1 3.86Å; I485-I602 HydrophobicContact CG1-CD1 4.47Å; I485-I602 HydrophobicContact CG1-CG1 3.92Å; L598-I602 HydrophobicContact CD1-CD1 3.84Å; L598-I602 HydrophobicContact CD1-CG1 4.49Å; L598-I602 HydrophobicContact CD2-CD1 4.48Å; L598-I602 HydrophobicContact CG-CD1 3.8Å; L598-I602 PolarHBondContact O-N 2.87Å; E599-I602 PolarHBondContact O-N 3.31Å; I602-T604 VanDerWaalsContact C-N 3.28Å; I602-T604 PolarHBondContact O-N 2.89Å; I602-L605 PolarHBondContact O-N 3.49Å; I602-N606 WeakPolarHBondContact O-CB 3.45Å; I602-N606 VanDerWaalsContact O-CG 3.31Å; I602-N606 PolarHBondContact O-N 3.04Å; I602-F618 HydrophobicContact CD1-CB 3.77Å; I602-F618 HydrophobicContact CD1-CD1 3.83Å; I602-F618 HydrophobicContact CD1-CD2 3.72Å; I602-F618 HydrophobicContact CD1-CE1 4.32Å; I602-F618 HydrophobicContact CD1-CE2 4.23Å; I602-F618 HydrophobicContact CD1-CG 3.49Å; I602-F618 VanDerWaalsContact CD1-CG 3.49Å; I602-F618 HydrophobicContact CG2-CB 4.18Å; I602-F620 HydrophobicContact CB-CE2 4.17Å; I602-F620 HydrophobicContact CD1-CE2 3.83Å; I602-F620 HydrophobicContact CD1-CZ 3.68Å; I602-F620 HydrophobicContact CG2-CE2 4.07Å
603T96.7Very high96.9Very high30 Ų3026.7 Ų26.718%0.18414%0.143CC..Hα-helixtrans-58.9-42.9174.8-60.80000111.1T389 V390 E599 V601 C607T389-T603 HydrophobicContact CG2-CG2 3.81Å; V390-T603 HydrophobicContact CG2-CG2 4Å; E599-T603 VanDerWaalsContact O-CB 3.23Å; E599-T603 WeakPolarHBondContact O-CB 3.49Å; E599-T603 PolarHBondContact O-N 2.98Å; E599-T603 PolarHBondContact O-OG1 3.22Å; V601-T603 PolarHBondContact O-N 3.49Å; T603-C607 PolarHBondContact O-N 2.86Å; T603-C607 PolarHBondContact O-SG 3.15Å
604T97.2Very high96.9Very high1 Ų128.7 Ų28.71%0.00615%0.152CC..Hα-helixtrans-65.8-48.5178.6-56.90000111.1L381 Y432 G600 V601 I602 N606 C607 L608L381-T604 HydrophobicContact CD1-CG2 4.24Å; Y432-T604 HydrophobicContact CE2-CG2 3.72Å; G600-T604 WeakPolarHBondContact O-CB 3.11Å; G600-T604 PolarHBondContact O-N 3.43Å; G600-T604 PolarHBondContact O-OG1 3.46Å; V601-T604 WeakPolarHBondContact O-CB 3.41Å; V601-T604 PolarHBondContact O-N 2.89Å; V601-T604 VanDerWaalsContact O-N 3.17Å; I602-T604 VanDerWaalsContact C-N 3.28Å; I602-T604 PolarHBondContact O-N 2.89Å; T604-N606 PolarHBondContact O-N 3.22Å; T604-C607 WeakPolarHBondContact O-CA 3.37Å; T604-C607 WeakPolarHBondContact O-CB 3.33Å; T604-C607 PolarHBondContact O-N 2.98Å; T604-L608 HydrophobicContact CG2-CD1 4.26Å; T604-L608 WeakPolarHBondContact O-CG 3.43Å; T604-L608 PolarHBondContact O-N 3.35Å
605L97.6Very high96.8Very high0 Ų029.4 Ų29.40%016%0.157CC..Hα-helixtrans-58.4-46.2176.3-76.2171000112I431 T481 V484 I485 V601 I602 C607 L608 V609I431-L605 HydrophobicContact CD1-CD1 3.91Å; I431-L605 HydrophobicContact CD1-CD2 3.72Å; I431-L605 HydrophobicContact CD1-CG 3.75Å; I431-L605 HydrophobicContact CG1-CD2 3.98Å; I431-L605 HydrophobicContact CG2-CD2 4.06Å; T481-L605 HydrophobicContact CG2-CB 3.81Å; T481-L605 HydrophobicContact CG2-CD1 4.05Å; V484-L605 HydrophobicContact CB-CD1 4.14Å; V484-L605 HydrophobicContact CG1-CD1 3.85Å; V484-L605 HydrophobicContact CG1-CD2 4.09Å; I485-L605 HydrophobicContact CD1-CD1 3.92Å; I485-L605 HydrophobicContact CG1-CD1 4.15Å; V601-L605 HydrophobicContact CG1-CD1 3.97Å; V601-L605 HydrophobicContact CG1-CG 4.48Å; V601-L605 PolarHBondContact O-N 2.91Å; I602-L605 PolarHBondContact O-N 3.49Å; L605-C607 PolarHBondContact O-N 3.36Å; L605-C607 VanDerWaalsContact O-N 3.08Å; L605-L608 WeakPolarHBondContact O-CA 3.43Å; L605-L608 PolarHBondContact O-N 2.89Å; L605-V609 WeakPolarHBondContact O-CG2 3.16Å; L605-V609 PolarHBondContact O-N 2.81Å
606N97.7Very high96.3Very high24 Ų2435.6 Ų35.613%0.12819%0.19CC..Hα-helixtrans-61.8-17.2175.6-74.9-12.8000113.2R380 T481 I602 T604 Q614 S615R380-N606 PolarHBondContact NE-O 3.48Å; R380-N606 VanDerWaalsContact NE-O 3.08Å; R380-N606 PolarHBondContact NH2-O 3.39Å; T481-N606 WeakPolarHBondContact CB-OD1 3.36Å; T481-N606 PolarHBondContact OG1-OD1 3.22Å; I602-N606 WeakPolarHBondContact O-CB 3.45Å; I602-N606 VanDerWaalsContact O-CG 3.31Å; I602-N606 PolarHBondContact O-N 3.04Å; T604-N606 PolarHBondContact O-N 3.22Å; N606-Q614 HydrophobicContact CB-CB 4.5Å; N606-Q614 HydrophobicContact CB-CG 4.04Å; N606-Q614 WeakPolarHBondContact OD1-CA 3.48Å; N606-Q614 WeakPolarHBondContact OD1-CB 3.25Å; N606-S615 PolarHBondContact OD1-N 3.16Å
607C97.4Very high95.9Very high7 Ų737.8 Ų37.85%0.04720%0.197CC..Hα-helixtrans-86-18171.5-66.20000113.8R380 L381 T603 T604 L605R380-C607 HydrophobicContact CG-CB 4.28Å; L381-C607 HydrophobicContact CB-CB 4.28Å; L381-C607 HydrophobicContact CD1-CB 4Å; T603-C607 PolarHBondContact O-N 2.86Å; T603-C607 PolarHBondContact O-SG 3.15Å; T604-C607 WeakPolarHBondContact O-CA 3.37Å; T604-C607 WeakPolarHBondContact O-CB 3.33Å; T604-C607 PolarHBondContact O-N 2.98Å; L605-C607 PolarHBondContact O-N 3.36Å; L605-C607 VanDerWaalsContact O-N 3.08Å
608L97.5Very high95.8Very high22 Ų2237.3 Ų37.312%0.11519%0.193CC..Hα-helixtrans-100.4-30.6-175.6-66.2177000112.8P378 L381 I431 L435 F476 T604 L605P378-L608 HydrophobicContact CG-CD2 4.07Å; L381-L608 HydrophobicContact CB-CD2 4.43Å; L381-L608 HydrophobicContact CD2-CD2 4.02Å; I431-L608 HydrophobicContact CG2-CD1 3.73Å; L435-L608 HydrophobicContact CD1-CD2 3.76Å; L435-L608 HydrophobicContact CD2-CD2 4.07Å; L435-L608 HydrophobicContact CG-CD2 4.49Å; F476-L608 HydrophobicContact CD1-CB 3.72Å; F476-L608 HydrophobicContact CD1-CD1 4.2Å; F476-L608 HydrophobicContact CE1-CB 4.08Å; F476-L608 HydrophobicContact CE1-CD1 3.67Å; F476-L608 HydrophobicContact CE1-CG 4.49Å; F476-L608 HydrophobicContact CG-CB 4.22Å; F476-L608 HydrophobicContact CZ-CD1 3.96Å; T604-L608 HydrophobicContact CG2-CD1 4.26Å; T604-L608 WeakPolarHBondContact O-CG 3.43Å; T604-L608 PolarHBondContact O-N 3.35Å; L605-L608 WeakPolarHBondContact O-CA 3.43Å; L605-L608 PolarHBondContact O-N 2.89Å
609V97.4Very high95.6Very high7 Ų740.1 Ų40.14%0.04221%0.21CC..SBendtrans-93156.6-179.1-55.20000112.8V479 L605 K613 Q614V479-V609 HydrophobicContact CG2-CG1 4.18Å; L605-V609 WeakPolarHBondContact O-CG2 3.16Å; L605-V609 PolarHBondContact O-N 2.81Å; V609-K613 HydrophobicContact CB-CB 4.19Å; V609-K613 HydrophobicContact CG2-CB 4.22Å; V609-Q614 HydrophobicContact CG2-CG 4.14Å
610P96.6Very high95.5Very high50 Ų5041 Ų4133%0.32521%0.214SC..  trans-55.6157.4171-27.535000113.8F476 N612 K613 Q614F476-P610 WeakPolarHBondContact O-CD 3.33Å; P610-N612 WeakPolarHBondContact CB-OD1 3.31Å; P610-N612 PolarHBondContact O-N 3.1Å; P610-K613 HydrophobicContact CB-CB 4.38Å; P610-K613 HydrophobicContact CB-CG 4.34Å; P610-K613 CarbonylContact O-C 3.59Å; P610-K613 WeakPolarHBondContact O-CA 3.44Å; P610-K613 WeakPolarHBondContact O-CB 3.3Å; P610-K613 PolarHBondContact O-N 3.09Å; P610-Q614 PolarHBondContact O-N 3.43Å
611E95.5Very high95.4Very high145 Ų14541 Ų4168%0.67821%0.213SC*.G310 helixtrans-63.6-38.5-172.5-55.6-159.3140.400115.2R380 K613 Q614R380-E611 IonicContact NH1-OE1 2.64Å; R380-E611 PolarHBondContact NH1-OE1 2.82Å; E611-K613 PolarHBondContact O-N 2.98Å; E611-Q614 VanDerWaalsContact CA-NE2 3.31Å; E611-Q614 PolarHBondContact O-N 2.91Å
612N96.6Very high95.3Very high130 Ų13043.3 Ų43.370%0.69522%0.223SC*.G310 helixtrans-71.2-5.6174.365.9-37.7000114P610P610-N612 WeakPolarHBondContact CB-OD1 3.31Å; P610-N612 PolarHBondContact O-N 3.1Å
613K97.1Very high95.2Very high66 Ų6643.2 Ų43.229%0.28722%0.223SC..G310 helixtrans-112.10.1179.7-68.7-72.8-173.81590112.6K478 S480 T481 V609 P610 E611K478-K613 WeakPolarHBondContact O-CE 3.32Å; K478-K613 PolarHBondContact O-NZ 3.02Å; S480-K613 VanDerWaalsContact CA-O 3.26Å; S480-K613 WeakPolarHBondContact CA-O 3.33Å; S480-K613 WeakPolarHBondContact CB-O 3.3Å; T481-K613 PolarHBondContact N-O 3.02Å; V609-K613 HydrophobicContact CB-CB 4.19Å; V609-K613 HydrophobicContact CG2-CB 4.22Å; P610-K613 HydrophobicContact CB-CB 4.38Å; P610-K613 HydrophobicContact CB-CG 4.34Å; P610-K613 CarbonylContact O-C 3.59Å; P610-K613 WeakPolarHBondContact O-CA 3.44Å; P610-K613 WeakPolarHBondContact O-CB 3.3Å; P610-K613 PolarHBondContact O-N 3.09Å; E611-K613 PolarHBondContact O-N 2.98Å
614Q96.8Very high95Very high46 Ų4643.6 Ų43.622%0.21522%0.221CC..SBendtrans-66.2158.2171.1-67.8176.648.100110.7R380 N606 V609 P610 E611 N616R380-Q614 VanDerWaalsContact NH2-OE1 3.13Å; N606-Q614 HydrophobicContact CB-CB 4.5Å; N606-Q614 HydrophobicContact CB-CG 4.04Å; N606-Q614 WeakPolarHBondContact OD1-CA 3.48Å; N606-Q614 WeakPolarHBondContact OD1-CB 3.25Å; V609-Q614 HydrophobicContact CG2-CG 4.14Å; P610-Q614 PolarHBondContact O-N 3.43Å; E611-Q614 VanDerWaalsContact CA-NE2 3.31Å; E611-Q614 PolarHBondContact O-N 2.91Å; Q614-N616 PolarHBondContact O-N 3.37Å
615S94.4Very high94.9Very high14 Ų1445.4 Ų45.410%0.09823%0.23CC..  trans-61.8127-179.4145.10000111.8D482 N606 Y617 F618D482-S615 WeakPolarHBondContact OD1-CA 3.47Å; D482-S615 WeakPolarHBondContact OD1-CB 3.35Å; D482-S615 PolarHBondContact OD1-OG 2.97Å; D482-S615 WeakPolarHBondContact OD2-CA 3.39Å; N606-S615 PolarHBondContact OD1-N 3.16Å; S615-Y617 PolarHBondContact OG-N 3.47Å; S615-F618 WeakPolarHBondContact OG-CA 3.23Å; S615-F618 VanDerWaalsContact OG-CB 3.28Å; S615-F618 WeakPolarHBondContact OG-CB 2.93Å; S615-F618 WeakPolarHBondContact OG-CD2 3.26Å; S615-F618 PolarHBondContact OG-N 3.3Å
616N87.9Confident94.9Very high130 Ų13045.4 Ų45.470%0.69523%0.23SC*.SBendtrans-90.4-19.9170.3-69.6-46.1000112.7D482 Q614D482-N616 PolarHBondContact OD2-N 2.91Å; D482-N616 VanDerWaalsContact OD2-N 3.15Å; Q614-N616 PolarHBondContact O-N 3.37Å
617Y88Confident94.8Very high72 Ų7244.2 Ų44.228%0.28222%0.224SC..SBendtrans-83.5-46.6-176.9-71.5-91.7000112.3D482 Y505 S615 T619D482-Y617 HydrophobicContact CB-CD2 4.32Å; D482-Y617 WeakPolarHBondContact OD2-CD2 3.22Å; Y505-Y617 WeakPolarHBondContact CD1-O 3.48Å; Y505-Y617 HydrophobicContact CE1-CD1 4.08Å; Y505-Y617 HydrophobicContact CE1-CG 4.32Å; Y505-Y617 HydrophobicContact CE2-CD1 4.45Å; Y505-Y617 AromaticContact CZ-CD1 3.82Å; S615-Y617 PolarHBondContact OG-N 3.47Å; Y617-T619 PolarHBondContact O-N 2.93Å
618F93.7Very high94.7Very high7 Ų743.9 Ų43.93%0.03122%0.222CC..  trans-92.7110-168.9-57.8-79.5000112.2D482 I485 L494 Y505 S506 V509 L598 I602 S615 F620D482-F618 WeakPolarHBondContact OD1-CD2 3.42Å; I485-F618 HydrophobicContact CG2-CE2 4.09Å; I485-F618 HydrophobicContact CG2-CZ 4.1Å; L494-F618 HydrophobicContact CD1-CE2 4.1Å; L494-F618 HydrophobicContact CD1-CZ 4.28Å; L494-F618 HydrophobicContact CD2-CZ 4.11Å; Y505-F618 HydrophobicContact CD1-CD1 4.5Å; Y505-F618 HydrophobicContact CE1-CD1 4.2Å; Y505-F618 AromaticContact CE1-CE1 3.95Å; Y505-F618 HydrophobicContact CE1-CE1 3.95Å; Y505-F618 HydrophobicContact CE1-CZ 4.34Å; S506-F618 WeakPolarHBondContact OG-CA 3.45Å; V509-F618 HydrophobicContact CB-CE1 4.02Å; V509-F618 HydrophobicContact CG1-CE1 3.91Å; V509-F618 HydrophobicContact CG1-CZ 4.36Å; V509-F618 HydrophobicContact CG2-CE1 3.89Å; V509-F618 HydrophobicContact CG2-CZ 4.48Å; L598-F618 HydrophobicContact CD2-CE1 4.47Å; I602-F618 HydrophobicContact CD1-CB 3.77Å; I602-F618 HydrophobicContact CD1-CD1 3.83Å; I602-F618 HydrophobicContact CD1-CD2 3.72Å; I602-F618 HydrophobicContact CD1-CE1 4.32Å; I602-F618 HydrophobicContact CD1-CE2 4.23Å; I602-F618 HydrophobicContact CD1-CG 3.49Å; I602-F618 VanDerWaalsContact CD1-CG 3.49Å; I602-F618 HydrophobicContact CG2-CB 4.18Å; S615-F618 WeakPolarHBondContact OG-CA 3.23Å; S615-F618 VanDerWaalsContact OG-CB 3.28Å; S615-F618 WeakPolarHBondContact OG-CB 2.93Å; S615-F618 WeakPolarHBondContact OG-CD2 3.26Å; S615-F618 PolarHBondContact OG-N 3.3Å; F618-F620 HydrophobicContact CB-CE2 3.87Å; F618-F620 HydrophobicContact CB-CZ 4.24Å; F618-F620 HydrophobicContact CD1-CZ 4.4Å
619T93.4Very high94.5Very high61 Ų6143 Ų4337%0.37422%0.217SC..  trans-119.5144.916062.90000108.9N502 F503 S506 Y617N502-T619 VanDerWaalsContact C-OG1 3.26Å; N502-T619 HydrophobicContact CB-CG2 4.18Å; N502-T619 WeakPolarHBondContact CB-OG1 3.44Å; F503-T619 VanDerWaalsContact CA-O 3.28Å; F503-T619 WeakPolarHBondContact CA-O 3.25Å; F503-T619 PolarHBondContact N-OG1 3Å; S506-T619 WeakPolarHBondContact CB-O 3.49Å; S506-T619 PolarHBondContact OG-N 3.41Å; S506-T619 PolarHBondContact OG-O 3.21Å; Y617-T619 PolarHBondContact O-N 2.93Å
620F94.3Very high94.4Very high37 Ų3742.7 Ų42.716%0.16222%0.215CC..  trans-115.4124.3-175.2-68.2-88.2000110.2F595 L598 E599 I602 F618F595-F620 HydrophobicContact CD2-CD1 4.47Å; F595-F620 AromaticContact CE2-CD1 3.71Å; F595-F620 HydrophobicContact CE2-CD1 3.71Å; F595-F620 HydrophobicContact CE2-CE1 4.32Å; F595-F620 HydrophobicContact CZ-CB 4.34Å; F595-F620 AromaticContact CZ-CD1 3.77Å; F595-F620 HydrophobicContact CZ-CD1 3.77Å; L598-F620 HydrophobicContact CD2-CZ 4.41Å; L598-F620 HydrophobicContact CG-CZ 4.22Å; E599-F620 HydrophobicContact CB-CD1 3.78Å; E599-F620 HydrophobicContact CB-CD2 4.11Å; E599-F620 HydrophobicContact CB-CE1 3.86Å; E599-F620 HydrophobicContact CB-CE2 4.19Å; E599-F620 HydrophobicContact CB-CG 3.91Å; E599-F620 HydrophobicContact CB-CZ 4.08Å; E599-F620 HydrophobicContact CG-CB 3.98Å; E599-F620 HydrophobicContact CG-CD1 4.02Å; E599-F620 HydrophobicContact CG-CD2 3.76Å; E599-F620 HydrophobicContact CG-CE1 4.49Å; E599-F620 HydrophobicContact CG-CE2 4.27Å; E599-F620 HydrophobicContact CG-CG 3.63Å; I602-F620 HydrophobicContact CB-CE2 4.17Å; I602-F620 HydrophobicContact CD1-CE2 3.83Å; I602-F620 HydrophobicContact CD1-CZ 3.68Å; I602-F620 HydrophobicContact CG2-CE2 4.07Å; F618-F620 HydrophobicContact CB-CE2 3.87Å; F618-F620 HydrophobicContact CB-CZ 4.24Å; F618-F620 HydrophobicContact CD1-CZ 4.4Å
621A93.9Very high94.3Very high11 Ų1142.8 Ų42.89%0.09121%0.21CC..  trans-79.9160.4168.800000110.6F503 L626F503-A621 HydrophobicContact CB-CB 3.61Å; F503-A621 HydrophobicContact CD2-CB 3.9Å; F503-A621 HydrophobicContact CG-CB 3.8Å; A621-L626 HydrophobicContact CB-CD1 4.07Å; A621-L626 HydrophobicContact CB-CD2 3.93Å; A621-L626 HydrophobicContact CB-CG 3.91Å
622Q93.9Very high94.3Very high48 Ų4836 Ų3622%0.22418%0.179CC..  trans-67.7142.8-174.8-47.4-175.115.600110.5Y127 W624 I625 L626Y127-Q622 HydrophobicContact CD1-CB 4.39Å; Y127-Q622 HydrophobicContact CD1-CG 3.59Å; Y127-Q622 HydrophobicContact CD2-CB 3.76Å; Y127-Q622 HydrophobicContact CD2-CG 3.9Å; Y127-Q622 HydrophobicContact CE1-CG 3.8Å; Y127-Q622 HydrophobicContact CE2-CB 3.97Å; Y127-Q622 HydrophobicContact CE2-CG 4.11Å; Y127-Q622 HydrophobicContact CG-CB 4.01Å; Y127-Q622 HydrophobicContact CG-CG 3.65Å; Q622-W624 PolarHBondContact O-N 2.9Å; Q622-W624 VanDerWaalsContact O-N 3.14Å; Q622-I625 HydrophobicContact CB-CD1 4.13Å; Q622-I625 HydrophobicContact CB-CG1 4.28Å; Q622-I625 HydrophobicContact CG-CD1 4.21Å; Q622-I625 WeakPolarHBondContact O-CA 3.37Å; Q622-I625 WeakPolarHBondContact O-CB 3.38Å; Q622-I625 PolarHBondContact O-N 3Å; Q622-L626 PolarHBondContact O-N 2.99Å
623P94.9Very high94.3Very high0 Ų029.8 Ų29.80%015%0.146CC..Hα-helixtrans-58.6-28.6-177.9-30.135.5000115.4K123 V124 Y127 F595 I625 F627K123-P623 HydrophobicContact CB-CG 3.99Å; K123-P623 HydrophobicContact CD-CG 4.29Å; V124-P623 HydrophobicContact CG2-CB 4.11Å; Y127-P623 HydrophobicContact CE2-CG 4.45Å; F595-P623 HydrophobicContact CE1-CG 4.37Å; P623-I625 PolarHBondContact O-N 2.88Å; P623-F627 HydrophobicContact CB-CD2 4.25Å; P623-F627 CarbonylContact O-C 3.58Å; P623-F627 VanDerWaalsContact O-CA 3.29Å; P623-F627 WeakPolarHBondContact O-CA 3.14Å; P623-F627 WeakPolarHBondContact O-CB 3.34Å; P623-F627 PolarHBondContact O-N 2.87Å
624W94.4Very high94.2Very high38 Ų3827.3 Ų27.314%0.14414%0.135CC..Hα-helixtrans-73.3-18.2175.468.1-96.4000113N51 L52 Y55 V124 N545 Q622 P628N51-W624 HydrophobicContact CB-CB 3.99Å; N51-W624 WeakPolarHBondContact O-CB 3.31Å; L52-W624 HydrophobicContact CD1-CE3 3.56Å; L52-W624 HydrophobicContact CD1-CZ3 4.06Å; Y55-W624 AromaticContact CD1-CD2 3.86Å; Y55-W624 HydrophobicContact CD1-CD2 3.86Å; Y55-W624 AromaticContact CD1-CE2 3.82Å; Y55-W624 HydrophobicContact CD1-CE3 4.24Å; Y55-W624 HydrophobicContact CD1-CG 4.22Å; Y55-W624 HydrophobicContact CD1-CZ2 4.19Å; Y55-W624 AromaticContact CD2-CD1 3.43Å; Y55-W624 VanDerWaalsContact CD2-CD1 3.43Å; Y55-W624 HydrophobicContact CD2-CD2 4.31Å; Y55-W624 AromaticContact CD2-CE2 4Å; Y55-W624 AromaticContact CD2-CG 4Å; Y55-W624 HydrophobicContact CD2-CG 4Å; Y55-W624 AromaticContact CD2-NE1 3.4Å; Y55-W624 HydrophobicContact CE1-CD2 4.18Å; Y55-W624 AromaticContact CE1-CE2 3.67Å; Y55-W624 HydrophobicContact CE1-CH2 4.1Å; Y55-W624 AromaticContact CE1-CZ2 3.64Å; Y55-W624 HydrophobicContact CE1-CZ2 3.64Å; Y55-W624 AromaticContact CE2-CD1 3.84Å; Y55-W624 AromaticContact CE2-CE2 3.84Å; Y55-W624 HydrophobicContact CE2-CZ2 4.31Å; Y55-W624 AromaticContact CE2-NE1 3.29Å; Y55-W624 VanDerWaalsContact CE2-NE1 3.29Å; Y55-W624 HydrophobicContact CG-CB 4.41Å; Y55-W624 AromaticContact CG-CD1 3.7Å; Y55-W624 AromaticContact CG-CD2 3.93Å; Y55-W624 HydrophobicContact CG-CD2 3.93Å; Y55-W624 AromaticContact CG-CE2 3.98Å; Y55-W624 AromaticContact CG-CG 3.78Å; Y55-W624 HydrophobicContact CG-CG 3.78Å; Y55-W624 AromaticContact CG-NE1 3.79Å; Y55-W624 AromaticContact CZ-CE2 3.68Å; Y55-W624 AromaticContact CZ-CZ2 3.71Å; Y55-W624 AromaticContact CZ-NE1 3.62Å; V124-W624 HydrophobicContact CG2-CB 4.34Å; N545-W624 PolarHBondContact ND2-O 3.14Å; Q622-W624 PolarHBondContact O-N 2.9Å; Q622-W624 VanDerWaalsContact O-N 3.14Å; W624-P628 WeakPolarHBondContact O-CA 3.49Å
625I95Very high94.1Very high38 Ų3825.8 Ų25.820%0.19513%0.128CC..Hα-helixtrans-79.8-50.8172.1-60.7174.5000109.6N545 I546 Q622 P623N545-I625 WeakPolarHBondContact ND2-CA 3.3Å; N545-I625 PolarHBondContact ND2-O 2.91Å; I546-I625 HydrophobicContact CG1-CG2 3.67Å; Q622-I625 HydrophobicContact CB-CD1 4.13Å; Q622-I625 HydrophobicContact CB-CG1 4.28Å; Q622-I625 HydrophobicContact CG-CD1 4.21Å; Q622-I625 WeakPolarHBondContact O-CA 3.37Å; Q622-I625 WeakPolarHBondContact O-CB 3.38Å; Q622-I625 PolarHBondContact O-N 3Å; P623-I625 PolarHBondContact O-N 2.88Å
626L95.9Very high94.1Very high0 Ų025.2 Ų25.20%012%0.124CC..Hα-helixtrans-80.1-32.3-174.1-58.9-178.5000113.5L507 A542 I546 F595 A621 Q622 P628L507-L626 HydrophobicContact CB-CD1 4.45Å; L507-L626 HydrophobicContact CD2-CB 4.47Å; L507-L626 HydrophobicContact CD2-CD2 4.11Å; A542-L626 HydrophobicContact CB-CD2 4.29Å; A542-L626 WeakPolarHBondContact CB-O 3.34Å; I546-L626 HydrophobicContact CD1-CD2 4.37Å; F595-L626 HydrophobicContact CD2-CD1 4.37Å; F595-L626 HydrophobicContact CE2-CD1 3.42Å; F595-L626 VanDerWaalsContact CE2-CD1 3.42Å; F595-L626 HydrophobicContact CZ-CD1 3.72Å; A621-L626 HydrophobicContact CB-CD1 4.07Å; A621-L626 HydrophobicContact CB-CD2 3.93Å; A621-L626 HydrophobicContact CB-CG 3.91Å; Q622-L626 PolarHBondContact O-N 2.99Å; L626-P628 VanDerWaalsContact C-CD 3.46Å; L626-P628 WeakPolarHBondContact O-CD 3.26Å
627F95.9Very high94.5Very high0 Ų019 Ų190%09%0.09CC..SBendtrans-127.861.5-176.3-48.2-62.8000110.1N51 L507 V538 F588 I591 Q592 F595 P623 S629N51-F627 WeakPolarHBondContact CB-O 3.47Å; N51-F627 PolarHBondContact ND2-O 2.85Å; L507-F627 HydrophobicContact CD1-CE1 4.04Å; L507-F627 HydrophobicContact CD1-CZ 3.87Å; V538-F627 HydrophobicContact CG1-CD1 4Å; V538-F627 HydrophobicContact CG1-CE1 3.72Å; F588-F627 HydrophobicContact CE2-CB 4.24Å; F588-F627 AromaticContact CE2-CD1 3.85Å; F588-F627 HydrophobicContact CE2-CD1 3.85Å; F588-F627 HydrophobicContact CE2-CG 4.33Å; F588-F627 HydrophobicContact CZ-CB 4.04Å; F588-F627 HydrophobicContact CZ-CD1 4.48Å; I591-F627 HydrophobicContact CG2-CE1 3.94Å; I591-F627 HydrophobicContact CG2-CZ 4.25Å; Q592-F627 HydrophobicContact CG-CD2 4.23Å; Q592-F627 HydrophobicContact CG-CE2 4.42Å; Q592-F627 HydrophobicContact CG-CG 4.27Å; F595-F627 HydrophobicContact CB-CE2 4.13Å; F595-F627 HydrophobicContact CB-CZ 4.04Å; F595-F627 AromaticContact CD1-CE2 3.88Å; F595-F627 HydrophobicContact CD1-CE2 3.88Å; F595-F627 HydrophobicContact CD2-CE2 4.01Å; F595-F627 AromaticContact CD2-CZ 3.97Å; F595-F627 HydrophobicContact CD2-CZ 3.97Å; F595-F627 HydrophobicContact CE1-CE2 4.32Å; F595-F627 HydrophobicContact CE2-CE2 4.42Å; F595-F627 AromaticContact CG-CE2 3.72Å; F595-F627 HydrophobicContact CG-CE2 3.72Å; F595-F627 AromaticContact CG-CZ 3.92Å; F595-F627 HydrophobicContact CG-CZ 3.92Å; P623-F627 HydrophobicContact CB-CD2 4.25Å; P623-F627 CarbonylContact O-C 3.58Å; P623-F627 VanDerWaalsContact O-CA 3.29Å; P623-F627 WeakPolarHBondContact O-CA 3.14Å; P623-F627 WeakPolarHBondContact O-CB 3.34Å; P623-F627 PolarHBondContact O-N 2.87Å; F627-S629 PolarHBondContact O-N 2.93Å
628P95Very high94.8Very high0 Ų016.9 Ų16.90%09%0.085CC..  trans-62.3-42.2-16823.5-34000113.4N51 L52 C541 N545 Y560 W624 L626N51-P628 PolarHBondContact N-O 3.42Å; L52-P628 HydrophobicContact CB-CB 4.18Å; L52-P628 VanDerWaalsContact CB-O 3.31Å; L52-P628 WeakPolarHBondContact CB-O 3.5Å; L52-P628 PolarHBondContact N-O 2.93Å; C541-P628 HydrophobicContact CB-CG 4.45Å; N545-P628 HydrophobicContact CB-CG 4.1Å; Y560-P628 HydrophobicContact CD2-CB 4.19Å; Y560-P628 HydrophobicContact CE2-CB 3.9Å; Y560-P628 HydrophobicContact CE2-CG 4.14Å; W624-P628 WeakPolarHBondContact O-CA 3.49Å; L626-P628 VanDerWaalsContact C-CD 3.46Å; L626-P628 WeakPolarHBondContact O-CD 3.26Å
629S94.7Very high94.7Very high3 Ų317 Ų172%0.0219%0.086CC..  trans-145.5119.5-178172.70000111E50 F627 K631 L632 V633E50-S629 VanDerWaalsContact OE2-CA 3.29Å; E50-S629 WeakPolarHBondContact OE2-CA 3.25Å; E50-S629 WeakPolarHBondContact OE2-CB 3.3Å; E50-S629 PolarHBondContact OE2-OG 2.77Å; F627-S629 PolarHBondContact O-N 2.93Å; S629-K631 VanDerWaalsContact C-N 3.31Å; S629-K631 PolarHBondContact OG-N 2.73Å; S629-L632 PolarHBondContact O-N 2.94Å; S629-L632 PolarHBondContact OG-N 2.88Å; S629-L632 VanDerWaalsContact OG-N 3.13Å; S629-V633 WeakPolarHBondContact O-CG2 3.44Å; S629-V633 PolarHBondContact O-N 2.97Å; S629-V633 VanDerWaalsContact O-N 3.13Å
630G94.9Very high94.7Very high0 Ų014.1 Ų14.10%07%0.068CC..Hα-helixtrans-65.9-35.5174.300000112.1Y47 G49 E50 F588 V633 H634Y47-G630 VanDerWaalsContact O-CA 3.3Å; Y47-G630 WeakPolarHBondContact O-CA 3.35Å; G49-G630 WeakPolarHBondContact O-CA 3.4Å; G49-G630 PolarHBondContact O-N 3.44Å; E50-G630 PolarHBondContact OE1-N 2.78Å; F588-G630 VanDerWaalsContact CE1-CA 3.47Å; G630-V633 PolarHBondContact O-N 2.75Å; G630-H634 WeakPolarHBondContact O-CB 3.42Å; G630-H634 PolarHBondContact O-N 3.09Å
631K93.6Very high94.6Very high52 Ų5214.9 Ų14.923%0.2267%0.074CC..Hα-helixtrans-63.1-41.1173.7-169.9-172.1173.1-157.30112.4Y47 E50 S564 T565 S629 H634 F635Y47-K631 HydrophobicContact CD2-CB 4Å; Y47-K631 HydrophobicContact CD2-CG 4.17Å; Y47-K631 HydrophobicContact CE2-CB 4.47Å; Y47-K631 HydrophobicContact CE2-CD 4.5Å; Y47-K631 HydrophobicContact CE2-CG 4.13Å; Y47-K631 HydrophobicContact CG-CB 4.05Å; Y47-K631 HydrophobicContact CG-CG 4.4Å; E50-K631 VanDerWaalsContact OE1-CB 3.3Å; E50-K631 WeakPolarHBondContact OE1-CB 3.49Å; E50-K631 PolarHBondContact OE1-N 3.47Å; S564-K631 WeakPolarHBondContact OG-CD 3.38Å; S564-K631 WeakPolarHBondContact OG-CE 3.48Å; S564-K631 PolarHBondContact OG-NZ 3.07Å; T565-K631 VanDerWaalsContact CG2-NZ 3.3Å; S629-K631 VanDerWaalsContact C-N 3.31Å; S629-K631 PolarHBondContact OG-N 2.73Å; K631-H634 PolarHBondContact O-N 3.04Å; K631-F635 WeakPolarHBondContact O-CB 3.47Å; K631-F635 PolarHBondContact O-N 3.31Å
632L95.4Very high94.5Very high2 Ų217.5 Ų17.51%0.019%0.092CC..Hα-helixtrans-63.9-45175.4-179.264000111.7Y560 L563 S629 H634 F635 L636 L660Y560-L632 HydrophobicContact CD1-CD2 3.66Å; Y560-L632 HydrophobicContact CD2-CD2 4.38Å; Y560-L632 HydrophobicContact CE1-CD2 4.18Å; Y560-L632 HydrophobicContact CG-CD2 3.79Å; L563-L632 HydrophobicContact CB-CD1 4.15Å; S629-L632 PolarHBondContact O-N 2.94Å; S629-L632 PolarHBondContact OG-N 2.88Å; S629-L632 VanDerWaalsContact OG-N 3.13Å; L632-H634 VanDerWaalsContact C-N 3.34Å; L632-F635 PolarHBondContact O-N 3.39Å; L632-L636 WeakPolarHBondContact O-CB 3.28Å; L632-L636 PolarHBondContact O-N 3.15Å; L632-L660 HydrophobicContact CD1-CD2 4.04Å; L632-L660 HydrophobicContact CD2-CD2 4Å; L632-L660 HydrophobicContact CG-CD2 4.33Å
633V96.7Very high94.5Very high1 Ų117.9 Ų17.91%0.00610%0.095CC..Hα-helixtrans-60.4-45.3175.5171.90000110.5A537 V538 C541 F588 S629 G630 L636 A637A537-V633 HydrophobicContact CB-CG1 4.24Å; V538-V633 HydrophobicContact CG2-CG1 3.76Å; V538-V633 HydrophobicContact CG2-CG2 4.37Å; C541-V633 HydrophobicContact CB-CG2 4.21Å; F588-V633 HydrophobicContact CB-CG1 4.44Å; F588-V633 HydrophobicContact CD2-CB 4.43Å; F588-V633 HydrophobicContact CD2-CG1 3.82Å; F588-V633 HydrophobicContact CD2-CG2 4.49Å; F588-V633 HydrophobicContact CE2-CB 4.4Å; F588-V633 HydrophobicContact CE2-CG1 4.23Å; F588-V633 HydrophobicContact CE2-CG2 4.06Å; F588-V633 HydrophobicContact CG-CG1 4.11Å; F588-V633 HydrophobicContact CZ-CG2 4.37Å; S629-V633 WeakPolarHBondContact O-CG2 3.44Å; S629-V633 PolarHBondContact O-N 2.97Å; S629-V633 VanDerWaalsContact O-N 3.13Å; G630-V633 PolarHBondContact O-N 2.75Å; V633-L636 PolarHBondContact O-N 2.57Å; V633-A637 WeakPolarHBondContact O-CB 3.27Å; V633-A637 PolarHBondContact O-N 3.41Å
634H95.1Very high94.4Very high14 Ų1424.5 Ų24.57%0.06513%0.126CC..Hα-helixtrans-59-49.5177.7170.5-88.5000112.2Y47 R581 V584 G630 K631 L632 T638Y47-H634 HydrophobicContact CD1-CB 3.79Å; Y47-H634 AromaticContact CD1-CG 3.72Å; Y47-H634 HydrophobicContact CE1-CB 4.34Å; Y47-H634 AromaticContact CE1-CG 3.85Å; Y47-H634 AromaticContact CE1-ND1 3.69Å; R581-H634 PolarHBondContact N-NE2 2.9Å; R581-H634 VanDerWaalsContact N-NE2 3.17Å; V584-H634 HydrophobicContact CG1-CB 4.31Å; G630-H634 WeakPolarHBondContact O-CB 3.42Å; G630-H634 PolarHBondContact O-N 3.09Å; K631-H634 PolarHBondContact O-N 3.04Å; L632-H634 VanDerWaalsContact C-N 3.34Å; H634-T638 WeakPolarHBondContact O-CB 3.34Å; H634-T638 PolarHBondContact O-N 3.18Å; H634-T638 PolarHBondContact O-OG1 3.07Å
635F94.4Very high94.5Very high13 Ų1324.9 Ų24.96%0.05713%0.133CC..Hα-helixtrans-56.6-55177.3168.5-103.4000110.7M566 K631 L632 A637 T638 Q639 W656M566-F635 HydrophobicContact CB-CZ 4.17Å; M566-F635 WeakPolarHBondContact O-CE2 3.33Å; K631-F635 WeakPolarHBondContact O-CB 3.47Å; K631-F635 PolarHBondContact O-N 3.31Å; L632-F635 PolarHBondContact O-N 3.39Å; F635-A637 PolarHBondContact O-N 3.38Å; F635-T638 WeakPolarHBondContact O-CB 3.42Å; F635-T638 PolarHBondContact O-N 2.88Å; F635-Q639 HydrophobicContact CE1-CG 4.26Å; F635-Q639 HydrophobicContact CE2-CG 4.16Å; F635-Q639 HydrophobicContact CZ-CG 4.02Å; F635-Q639 WeakPolarHBondContact O-CG 3.21Å; F635-Q639 PolarHBondContact O-N 3.36Å; F635-W656 AromaticContact CE1-CH2 3.86Å; F635-W656 HydrophobicContact CE1-CH2 3.86Å; F635-W656 AromaticContact CE1-CZ3 3.67Å; F635-W656 HydrophobicContact CE1-CZ3 3.67Å; F635-W656 AromaticContact CZ-CH2 3.9Å; F635-W656 HydrophobicContact CZ-CH2 3.9Å; F635-W656 HydrophobicContact CZ-CZ3 4.11Å
636L95.7Very high94.5Very high2 Ų227.3 Ų27.31%0.0115%0.154CC..Hα-helixtrans-63.6-44.1-176.3179.957.2000112.2A537 S540 L632 V633 T638 Q639 L640 W656 L660A537-L636 HydrophobicContact CB-CB 4.05Å; A537-L636 HydrophobicContact CB-CD2 4.04Å; A537-L636 HydrophobicContact CB-CG 3.89Å; S540-L636 WeakPolarHBondContact OG-CD2 3.48Å; L632-L636 WeakPolarHBondContact O-CB 3.28Å; L632-L636 PolarHBondContact O-N 3.15Å; V633-L636 PolarHBondContact O-N 2.57Å; L636-T638 VanDerWaalsContact C-N 3.28Å; L636-T638 PolarHBondContact O-N 3.3Å; L636-Q639 WeakPolarHBondContact O-CB 3.45Å; L636-Q639 PolarHBondContact O-N 3.37Å; L636-Q639 VanDerWaalsContact O-N 3.15Å; L636-L640 HydrophobicContact CD1-CD1 4.29Å; L636-L640 HydrophobicContact CD1-CG 4.26Å; L636-L640 HydrophobicContact CG-CD1 4.12Å; L636-L640 WeakPolarHBondContact O-CG 3.16Å; L636-L640 PolarHBondContact O-N 2.91Å; L636-W656 HydrophobicContact CD1-CB 3.75Å; L636-W656 HydrophobicContact CD1-CD2 3.44Å; L636-W656 VanDerWaalsContact CD1-CD2 3.44Å; L636-W656 HydrophobicContact CD1-CE3 3.96Å; L636-W656 HydrophobicContact CD1-CG 3.32Å; L636-L660 HydrophobicContact CD2-CD1 4.05Å
637A95.7Very high94.5Very high0 Ų030 Ų300%017%0.173CC..Hα-helixtrans-59.6-40.5176.700000111.4V534 A537 V584 V633 F635 Q639 L640 D641V534-A637 HydrophobicContact CG2-CB 4.05Å; A537-A637 HydrophobicContact CB-CB 3.88Å; V584-A637 HydrophobicContact CG1-CB 3.62Å; V584-A637 HydrophobicContact CG2-CB 4.46Å; V633-A637 WeakPolarHBondContact O-CB 3.27Å; V633-A637 PolarHBondContact O-N 3.41Å; F635-A637 PolarHBondContact O-N 3.38Å; A637-Q639 PolarHBondContact O-N 2.88Å; A637-L640 PolarHBondContact O-N 3.46Å; A637-D641 WeakPolarHBondContact O-CB 3.28Å; A637-D641 PolarHBondContact O-N 3.02Å
638T93.4Very high94.6Very high28 Ų2831 Ų3117%0.17218%0.176CC..Hα-helixtrans-63.9-38.9176.2-55.60000111.9H634 F635 L636 L640 D641 S642H634-T638 WeakPolarHBondContact O-CB 3.34Å; H634-T638 PolarHBondContact O-N 3.18Å; H634-T638 PolarHBondContact O-OG1 3.07Å; F635-T638 WeakPolarHBondContact O-CB 3.42Å; F635-T638 PolarHBondContact O-N 2.88Å; L636-T638 VanDerWaalsContact C-N 3.28Å; L636-T638 PolarHBondContact O-N 3.3Å; T638-L640 VanDerWaalsContact C-N 3.35Å; T638-D641 PolarHBondContact O-N 3.01Å; T638-S642 PolarHBondContact O-N 3.26Å
639Q91.9Very high94.7Very high10 Ų1034.1 Ų34.15%0.04719%0.188CC..Hα-helixtrans-64.3-40.2173.8-58.8-57.3-71.700111.7D568 F635 L636 A637 S642 W656D568-Q639 PolarHBondContact OD1-NE2 3.38Å; F635-Q639 HydrophobicContact CE1-CG 4.26Å; F635-Q639 HydrophobicContact CE2-CG 4.16Å; F635-Q639 HydrophobicContact CZ-CG 4.02Å; F635-Q639 WeakPolarHBondContact O-CG 3.21Å; F635-Q639 PolarHBondContact O-N 3.36Å; L636-Q639 WeakPolarHBondContact O-CB 3.45Å; L636-Q639 PolarHBondContact O-N 3.37Å; L636-Q639 VanDerWaalsContact O-N 3.15Å; A637-Q639 PolarHBondContact O-N 2.88Å; Q639-S642 PolarHBondContact O-OG 3.34Å; Q639-W656 HydrophobicContact CB-CH2 4.24Å; Q639-W656 HydrophobicContact CB-CZ2 3.52Å; Q639-W656 HydrophobicContact CG-CH2 3.66Å; Q639-W656 HydrophobicContact CG-CZ2 3.46Å; Q639-W656 VanDerWaalsContact CG-CZ2 3.46Å
640L94.8Very high94.8Very high0 Ų041.6 Ų41.60%022%0.217CC..Hα-helixtrans-72.5-32.8179.4-63.8172.4000112.6S533 L536 A537 L636 A637 T638 S642 L643 R648 V652S533-L640 WeakPolarHBondContact O-CD1 3.29Å; L536-L640 HydrophobicContact CB-CD1 4.05Å; A537-L640 HydrophobicContact CB-CD1 4.42Å; L636-L640 HydrophobicContact CD1-CD1 4.29Å; L636-L640 HydrophobicContact CD1-CG 4.26Å; L636-L640 HydrophobicContact CG-CD1 4.12Å; L636-L640 WeakPolarHBondContact O-CG 3.16Å; L636-L640 PolarHBondContact O-N 2.91Å; A637-L640 PolarHBondContact O-N 3.46Å; T638-L640 VanDerWaalsContact C-N 3.35Å; L640-S642 PolarHBondContact O-N 2.94Å; L640-L643 HydrophobicContact CD2-CD1 4.28Å; L640-L643 WeakPolarHBondContact O-CB 3.34Å; L640-L643 PolarHBondContact O-N 3.05Å; L640-L643 VanDerWaalsContact O-N 3.09Å; L640-R648 HydrophobicContact CB-CG 4.44Å; L640-R648 WeakPolarHBondContact O-CG 3.5Å; L640-R648 PolarHBondContact O-NE 3.42Å; L640-R648 VanDerWaalsContact O-NE 3.09Å; L640-V652 HydrophobicContact CD1-CG2 3.3Å; L640-V652 HydrophobicContact CD2-CG2 3.37Å; L640-V652 HydrophobicContact CG-CG2 3.93Å
641D92.3Very high94.9Very high52 Ų5242.3 Ų42.328%0.27822%0.222SC..Hα-helixtrans-64.2-30.3178.1-156.144.5000112R581 A637 T638 L643 R648R581-D641 IonicContact CZ-OD2 3.42Å; R581-D641 IonicContact NH1-OD2 2.71Å; R581-D641 PolarHBondContact NH1-OD2 2.7Å; R581-D641 IonicContact NH2-OD2 3.37Å; R581-D641 PolarHBondContact NH2-OD2 3.06Å; A637-D641 WeakPolarHBondContact O-CB 3.28Å; A637-D641 PolarHBondContact O-N 3.02Å; T638-D641 PolarHBondContact O-N 3.01Å; D641-L643 PolarHBondContact O-N 3.27Å; D641-R648 PolarHBondContact O-NH2 3.48Å; D641-R648 IonicContact OD1-NH2 3.38Å
642S90.5Very high95Very high67 Ų6739.8 Ų39.847%0.46921%0.211SC..THydrogen-bonded Turntrans-70.5-7.6174.675.70000114.9L570 T638 Q639 L640L570-S642 WeakPolarHBondContact CD1-OG 3.37Å; T638-S642 PolarHBondContact O-N 3.26Å; Q639-S642 PolarHBondContact O-OG 3.34Å; L640-S642 PolarHBondContact O-N 2.94Å
643L93.5Very high95.1Very high55 Ų5540.3 Ų40.329%0.28821%0.214SC..SBendtrans-103.6152.1179-54.8175.4000110.7L640 D641 R648 S651L640-L643 HydrophobicContact CD2-CD1 4.28Å; L640-L643 WeakPolarHBondContact O-CB 3.34Å; L640-L643 PolarHBondContact O-N 3.05Å; L640-L643 VanDerWaalsContact O-N 3.09Å; D641-L643 PolarHBondContact O-N 3.27Å; L643-R648 HydrophobicContact CB-CG 4.22Å; L643-R648 PolarHBondContact O-NE 3.07Å; L643-R648 VanDerWaalsContact O-NE 3.1Å; L643-R648 PolarHBondContact O-NH2 3.02Å; L643-S651 WeakPolarHBondContact CD1-OG 3.36Å
644E94.1Very high95.1Very high139 Ų13947.3 Ų47.365%0.6524%0.24SC*.  trans-52.9137.1167.4-68.7-59.2150.200110.9S646 S647E644-S646 VanDerWaalsContact C-N 3.28Å; E644-S646 PolarHBondContact O-N 3.47Å; E644-S646 VanDerWaalsContact O-N 3.15Å; E644-S647 WeakPolarHBondContact O-CB 3.26Å; E644-S647 PolarHBondContact O-N 2.73Å
645P95.4Very high95Very high46 Ų4649 Ų4930%0.29925%0.251SS..Hα-helixtrans-47.2-47.4-176.4-31.235.9000114.2E531 S647 R648E531-P645 HydrophobicContact CB-CB 4.01Å; E531-P645 HydrophobicContact CG-CB 4.15Å; P645-S647 PolarHBondContact O-N 2.85Å; P645-R648 WeakPolarHBondContact O-CB 3.13Å; P645-R648 PolarHBondContact O-N 3.26Å
646S95.4Very high95Very high90 Ų9049.2 Ų49.263%0.62925%0.251SS*.Hα-helixtrans-64.6-20.4-179.260.10000114.5E644E644-S646 VanDerWaalsContact C-N 3.28Å; E644-S646 PolarHBondContact O-N 3.47Å; E644-S646 VanDerWaalsContact O-N 3.15Å
647S96.1Very high95.1Very high57 Ų5749.1 Ų49.140%0.39925%0.251SS..Hα-helixtrans-90.8-14.6-179.4-63.90000113.4E644 P645 Y650 S651E644-S647 WeakPolarHBondContact O-CB 3.26Å; E644-S647 PolarHBondContact O-N 2.73Å; P645-S647 PolarHBondContact O-N 2.85Å; S647-Y650 PolarHBondContact O-N 3.45Å; S647-S651 PolarHBondContact O-N 3.02Å
648R97.1Very high95Very high21 Ų2151 Ų518%0.07926%0.264CS..Hα-helixtrans-64.5-46.1-171-66.1170.8-177.5174.9-5.3112.4E531 L536 L640 D641 L643 P645 Y650 S651 V652E531-R648 WeakPolarHBondContact O-CD 3.19Å; E531-R648 PolarHBondContact O-NH1 2.66Å; L536-R648 HydrophobicContact CD1-CB 3.68Å; L640-R648 HydrophobicContact CB-CG 4.44Å; L640-R648 WeakPolarHBondContact O-CG 3.5Å; L640-R648 PolarHBondContact O-NE 3.42Å; L640-R648 VanDerWaalsContact O-NE 3.09Å; D641-R648 PolarHBondContact O-NH2 3.48Å; D641-R648 IonicContact OD1-NH2 3.38Å; L643-R648 HydrophobicContact CB-CG 4.22Å; L643-R648 PolarHBondContact O-NE 3.07Å; L643-R648 VanDerWaalsContact O-NE 3.1Å; L643-R648 PolarHBondContact O-NH2 3.02Å; P645-R648 WeakPolarHBondContact O-CB 3.13Å; P645-R648 PolarHBondContact O-N 3.26Å; R648-Y650 VanDerWaalsContact C-N 3.35Å; R648-Y650 PolarHBondContact O-N 3.13Å; R648-S651 WeakPolarHBondContact O-CB 3.4Å; R648-S651 PolarHBondContact O-N 3.35Å; R648-V652 WeakPolarHBondContact O-CG2 3.26Å; R648-V652 PolarHBondContact O-N 3.49Å
649R97.5Very high95Very high65 Ų6553.7 Ų53.725%0.24527%0.273CS..Hα-helixtrans-55.9-48.2177179.4176.5175.6162.20.7111.9V652 I653 D686R649-V652 PolarHBondContact O-N 3.46Å; R649-I653 HydrophobicContact CG-CD1 3.86Å; R649-I653 WeakPolarHBondContact O-CG1 3.41Å; R649-I653 PolarHBondContact O-N 3.44Å; R649-I653 VanDerWaalsContact O-N 3.11Å; R649-D686 IonicContact CZ-OD1 3.14Å; R649-D686 IonicContact NH1-OD1 2.76Å; R649-D686 PolarHBondContact NH1-OD1 2.75Å; R649-D686 VanDerWaalsContact NH2-CG 3.27Å; R649-D686 IonicContact NH2-OD1 2.68Å; R649-D686 PolarHBondContact NH2-OD1 3.29Å; R649-D686 IonicContact NH2-OD2 3.22Å; R649-D686 PolarHBondContact NH2-OD2 3.15Å
650Y97.1Very high95.2Very high160 Ų16053.4 Ų53.463%0.62727%0.272SS*.Hα-helixtrans-60.1-48178.3176.5-88.5000111.1S647 R648 V652 I653 R654S647-Y650 PolarHBondContact O-N 3.45Å; R648-Y650 VanDerWaalsContact C-N 3.35Å; R648-Y650 PolarHBondContact O-N 3.13Å; Y650-V652 PolarHBondContact O-N 2.81Å; Y650-I653 PolarHBondContact O-N 3Å; Y650-R654 HydrophobicContact CD2-CG 3.99Å; Y650-R654 HydrophobicContact CE1-CB 4.14Å; Y650-R654 HydrophobicContact CE1-CG 4.26Å; Y650-R654 HydrophobicContact CE2-CB 4.45Å; Y650-R654 HydrophobicContact CE2-CG 3.69Å; Y650-R654 HydrophobicContact CG-CG 4.41Å; Y650-R654 WeakPolarHBondContact O-CB 3.47Å; Y650-R654 PolarHBondContact O-N 3.1Å
651S96.5Very high95.1Very high14 Ų1453.8 Ų53.810%0.09827%0.273CS..Hα-helixtrans-58.7-45.6179.3-176.60000112.1L643 S647 R648 I653 V655 W656L643-S651 WeakPolarHBondContact CD1-OG 3.36Å; S647-S651 PolarHBondContact O-N 3.02Å; R648-S651 WeakPolarHBondContact O-CB 3.4Å; R648-S651 PolarHBondContact O-N 3.35Å; S651-I653 PolarHBondContact O-N 2.86Å; S651-V655 WeakPolarHBondContact O-CA 3.08Å; S651-V655 VanDerWaalsContact O-CB 3.24Å; S651-V655 WeakPolarHBondContact O-CB 3.46Å; S651-V655 PolarHBondContact O-N 2.61Å; S651-W656 PolarHBondContact O-N 3.18Å; S651-W656 VanDerWaalsContact O-N 3.11Å
652V97.3Very high95.1Very high0 Ų052.3 Ų52.30%027%0.266CS..Iπ-helixtrans-61.1-46.9177.6171.30000111.9L536 L640 R648 R649 Y650 L657 L681L536-V652 HydrophobicContact CB-CG2 3.98Å; L536-V652 HydrophobicContact CD1-CG2 4.12Å; L640-V652 HydrophobicContact CD1-CG2 3.3Å; L640-V652 HydrophobicContact CD2-CG2 3.37Å; L640-V652 HydrophobicContact CG-CG2 3.93Å; R648-V652 WeakPolarHBondContact O-CG2 3.26Å; R648-V652 PolarHBondContact O-N 3.49Å; R649-V652 PolarHBondContact O-N 3.46Å; Y650-V652 PolarHBondContact O-N 2.81Å; V652-L657 VanDerWaalsContact O-CB 3.23Å; V652-L657 WeakPolarHBondContact O-CB 3.45Å; V652-L657 PolarHBondContact O-N 2.85Å; V652-L681 HydrophobicContact CG1-CD2 3.87Å
653I97.5Very high95Very high13 Ų1352.1 Ų52.17%0.06726%0.259CS..Iπ-helixtrans-70.7-43.2-176.2-66.9169.9000111.8R649 Y650 S651 I678 L681 I685R649-I653 HydrophobicContact CG-CD1 3.86Å; R649-I653 WeakPolarHBondContact O-CG1 3.41Å; R649-I653 PolarHBondContact O-N 3.44Å; R649-I653 VanDerWaalsContact O-N 3.11Å; Y650-I653 PolarHBondContact O-N 3Å; S651-I653 PolarHBondContact O-N 2.86Å; I653-I678 HydrophobicContact CG2-CG1 4.48Å; I653-I678 HydrophobicContact CG2-CG2 3.87Å; I653-L681 HydrophobicContact CG1-CD2 4.39Å; I653-I685 HydrophobicContact CD1-CD1 4.47Å
654R94.9Very high94.6Very high147 Ų14756 Ų5656%0.55527%0.273SS*.Iπ-helixtrans-95.9-27.6-169.7-62.7-61.1-172.8-158.80114.4Y650Y650-R654 HydrophobicContact CD2-CG 3.99Å; Y650-R654 HydrophobicContact CE1-CB 4.14Å; Y650-R654 HydrophobicContact CE1-CG 4.26Å; Y650-R654 HydrophobicContact CE2-CB 4.45Å; Y650-R654 HydrophobicContact CE2-CG 3.69Å; Y650-R654 HydrophobicContact CG-CG 4.41Å; Y650-R654 WeakPolarHBondContact O-CB 3.47Å; Y650-R654 PolarHBondContact O-N 3.1Å
655V93.8Very high94.1Very high50 Ų5056.2 Ų56.230%0.30327%0.274SS..Iπ-helixtrans-108.7-51.3-174.2-176.10000111.5S651 K659S651-V655 WeakPolarHBondContact O-CA 3.08Å; S651-V655 VanDerWaalsContact O-CB 3.24Å; S651-V655 WeakPolarHBondContact O-CB 3.46Å; S651-V655 PolarHBondContact O-N 2.61Å; V655-K659 WeakPolarHBondContact O-CD 3.31Å; V655-K659 WeakPolarHBondContact O-CG 3.14Å
656W95.3Very high93.6Very high17 Ų1766 Ų666%0.06431%0.305CS..Iπ-helixtrans-86.6-44.3-170.4-68.6109.2000113.7F635 L636 Q639 S651 K659 L660F635-W656 AromaticContact CE1-CH2 3.86Å; F635-W656 HydrophobicContact CE1-CH2 3.86Å; F635-W656 AromaticContact CE1-CZ3 3.67Å; F635-W656 HydrophobicContact CE1-CZ3 3.67Å; F635-W656 AromaticContact CZ-CH2 3.9Å; F635-W656 HydrophobicContact CZ-CH2 3.9Å; F635-W656 HydrophobicContact CZ-CZ3 4.11Å; L636-W656 HydrophobicContact CD1-CB 3.75Å; L636-W656 HydrophobicContact CD1-CD2 3.44Å; L636-W656 VanDerWaalsContact CD1-CD2 3.44Å; L636-W656 HydrophobicContact CD1-CE3 3.96Å; L636-W656 HydrophobicContact CD1-CG 3.32Å; Q639-W656 HydrophobicContact CB-CH2 4.24Å; Q639-W656 HydrophobicContact CB-CZ2 3.52Å; Q639-W656 HydrophobicContact CG-CH2 3.66Å; Q639-W656 HydrophobicContact CG-CZ2 3.46Å; Q639-W656 VanDerWaalsContact CG-CZ2 3.46Å; S651-W656 PolarHBondContact O-N 3.18Å; S651-W656 VanDerWaalsContact O-N 3.11Å; W656-K659 HydrophobicContact CE3-CD 4.19Å; W656-K659 HydrophobicContact CZ3-CD 4.35Å; W656-K659 CarbonylContact O-C 3.32Å; W656-K659 WeakPolarHBondContact O-CA 3.3Å; W656-K659 WeakPolarHBondContact O-CB 3.28Å; W656-K659 PolarHBondContact O-N 2.69Å; W656-L660 WeakPolarHBondContact O-CG 3.5Å; W656-L660 PolarHBondContact O-N 3.2Å
657L96Very high93.3Very high0 Ų064.9 Ų64.90%029%0.292CS..Hα-helixtrans-55.2-44.4-179-177.364.2000113.2A544 V652 K659 L660 L661 V677 I678 L681A544-L657 HydrophobicContact CB-CD1 4.11Å; V652-L657 VanDerWaalsContact O-CB 3.23Å; V652-L657 WeakPolarHBondContact O-CB 3.45Å; V652-L657 PolarHBondContact O-N 2.85Å; L657-K659 PolarHBondContact O-N 3.22Å; L657-L660 PolarHBondContact O-N 3.3Å; L657-L660 VanDerWaalsContact O-N 3.15Å; L657-L661 PolarHBondContact O-N 3.13Å; L657-V677 HydrophobicContact CD1-CG1 3.59Å; L657-V677 HydrophobicContact CD2-CB 4.45Å; L657-V677 HydrophobicContact CD2-CG1 3.68Å; L657-V677 HydrophobicContact CG-CG1 3.85Å; L657-I678 HydrophobicContact CD2-CB 4.43Å; L657-I678 HydrophobicContact CD2-CG1 3.78Å; L657-L681 HydrophobicContact CB-CD2 4.32Å; L657-L681 HydrophobicContact CD1-CD2 4.05Å; L657-L681 HydrophobicContact CD2-CB 4.11Å; L657-L681 HydrophobicContact CD2-CD2 3.65Å; L657-L681 HydrophobicContact CG-CD2 4.21Å
658P93.7Very high92.9Very high41 Ų4167.1 Ų67.127%0.26631%0.308SS..Hα-helixtrans-60.5-31.3174.4-2232.6000113.7L674P658-L674 HydrophobicContact CB-CD1 4.1Å; P658-L674 HydrophobicContact CG-CD1 4.08Å
659K93.9Very high92.4Very high83 Ų8371.2 Ų71.236%0.36133%0.331SS..Hα-helixtrans-77.5-26.1177.9-64.7174.5-179.6173.30112.5F559 L563 Q569 V655 W656 L657 L661F559-K659 VanDerWaalsContact CZ-O 3.3Å; F559-K659 WeakPolarHBondContact CZ-O 3.38Å; L563-K659 WeakPolarHBondContact CD1-O 3.48Å; Q569-K659 VanDerWaalsContact CD-NZ 3.27Å; Q569-K659 VanDerWaalsContact OE1-NZ 3.13Å; V655-K659 WeakPolarHBondContact O-CD 3.31Å; V655-K659 WeakPolarHBondContact O-CG 3.14Å; W656-K659 HydrophobicContact CE3-CD 4.19Å; W656-K659 HydrophobicContact CZ3-CD 4.35Å; W656-K659 CarbonylContact O-C 3.32Å; W656-K659 WeakPolarHBondContact O-CA 3.3Å; W656-K659 WeakPolarHBondContact O-CB 3.28Å; W656-K659 PolarHBondContact O-N 2.69Å; L657-K659 PolarHBondContact O-N 3.22Å; K659-L661 VanDerWaalsContact C-N 3.3Å
660L95.7Very high91.9Very high5 Ų568.6 Ų68.63%0.02632%0.324CS..Hα-helixtrans-79-12.4177.5-67.8170.7000113A544 N548 F559 L563 L632 L636 W656 L657A544-L660 HydrophobicContact CB-CB 3.52Å; A544-L660 HydrophobicContact CB-CD1 4.32Å; N548-L660 PolarHBondContact ND2-O 3.18Å; F559-L660 WeakPolarHBondContact CE1-O 3.31Å; L563-L660 HydrophobicContact CD1-CD2 4.31Å; L632-L660 HydrophobicContact CD1-CD2 4.04Å; L632-L660 HydrophobicContact CD2-CD2 4Å; L632-L660 HydrophobicContact CG-CD2 4.33Å; L636-L660 HydrophobicContact CD2-CD1 4.05Å; W656-L660 WeakPolarHBondContact O-CG 3.5Å; W656-L660 PolarHBondContact O-N 3.2Å; L657-L660 PolarHBondContact O-N 3.3Å; L657-L660 VanDerWaalsContact O-N 3.15Å
661L94.5Very high91.6Very high7 Ų765.2 Ų65.24%0.03732%0.32CS..SBendtrans-88.2126.7175.8-66.6177000110.5A544 L657 K659 I663 L674 V677A544-L661 HydrophobicContact CB-CD2 4.3Å; L657-L661 PolarHBondContact O-N 3.13Å; K659-L661 VanDerWaalsContact C-N 3.3Å; L661-I663 HydrophobicContact CB-CD1 4.18Å; L661-I663 HydrophobicContact CB-CG1 4.04Å; L661-I663 PolarHBondContact O-N 2.89Å; L661-I663 VanDerWaalsContact O-N 3.12Å; L661-L674 HydrophobicContact CD1-CB 4.4Å; L661-L674 HydrophobicContact CD1-CD1 3.69Å; L661-V677 HydrophobicContact CD1-CB 4.19Å; L661-V677 HydrophobicContact CD1-CG1 4.26Å; L661-V677 HydrophobicContact CD1-CG2 3.92Å; L661-V677 HydrophobicContact CD2-CG1 4.16Å; L661-V677 HydrophobicContact CD2-CG2 3.96Å
662L91.8Very high91.3Very high22 Ų2268 Ų6812%0.11534%0.34CS..  trans-77.898.4170.9-17658.3000108.7N548 S551 E555 L556 F559 R673N548-L662 PolarHBondContact OD1-N 3.23Å; S551-L662 WeakPolarHBondContact OG-CD2 3.24Å; E555-L662 HydrophobicContact CG-CD2 3.78Å; L556-L662 HydrophobicContact CD2-CB 4.31Å; L556-L662 HydrophobicContact CD2-CD2 3.86Å; F559-L662 HydrophobicContact CB-CD1 4.46Å; F559-L662 HydrophobicContact CD1-CB 4.13Å; F559-L662 HydrophobicContact CD1-CD1 4.47Å; F559-L662 HydrophobicContact CD2-CD1 3.74Å; F559-L662 HydrophobicContact CE1-CB 4.01Å; F559-L662 HydrophobicContact CE2-CD1 3.98Å; F559-L662 HydrophobicContact CG-CB 4.48Å; F559-L662 HydrophobicContact CG-CD1 3.98Å; F559-L662 HydrophobicContact CZ-CB 4.25Å; F559-L662 HydrophobicContact CZ-CD1 4.42Å; L662-R673 PolarHBondContact O-NH1 3.45Å
663I88.1Confident91Very high63 Ų6370.7 Ų70.732%0.32335%0.349SS..  trans-110.4106.3178.4-60.7174.3000108L661 E665 A670L661-I663 HydrophobicContact CB-CD1 4.18Å; L661-I663 HydrophobicContact CB-CG1 4.04Å; L661-I663 PolarHBondContact O-N 2.89Å; L661-I663 VanDerWaalsContact O-N 3.12Å; I663-E665 VanDerWaalsContact CG2-O 3.29Å; I663-E665 WeakPolarHBondContact CG2-O 3.39Å; I663-A670 HydrophobicContact CG2-CB 3.73Å
664K85Confident90.8Very high137 Ų13772.1 Ų72.160%0.59636%0.357SS*.SBendtrans-76.7-40.5179.1-59.9-173.8-174.4-163.50112.2E555E555-K664 WeakPolarHBondContact OE1-CE 3.5Å; E555-K664 IonicContact OE1-NZ 2.73Å; E555-K664 PolarHBondContact OE1-NZ 3.04Å; E555-K664 WeakPolarHBondContact OE2-CE 3.18Å; E555-K664 IonicContact OE2-NZ 3.05Å; E555-K664 PolarHBondContact OE2-NZ 3.32Å
665E84.1Confident90.8Very high143 Ų14368.5 Ų68.567%0.66835%0.352SS*.SBendtrans-129.6136.1-177.8-66-177.8-177.600110.4I663 N667 A670I663-E665 VanDerWaalsContact CG2-O 3.29Å; I663-E665 WeakPolarHBondContact CG2-O 3.39Å; E665-N667 PolarHBondContact O-N 3.09Å; E665-A670 WeakPolarHBondContact O-CB 3.41Å
666R84.3Confident90.8Very high250 Ų25072.2 Ų72.294%0.94336%0.363SS*.  trans-86.195.4175.8-66.8-175.7-179.6-177.80.5109.3
667N88.5Confident90.8Very high67 Ų6771.4 Ų71.436%0.35836%0.36SS..SBendtrans-131.7-179.3177.461.420.1000111.2E665 D669 A670 T671E665-N667 PolarHBondContact O-N 3.09Å; N667-D669 VanDerWaalsContact C-N 3.25Å; N667-D669 PolarHBondContact O-N 3.22Å; N667-D669 WeakPolarHBondContact OD1-CB 3.38Å; N667-D669 PolarHBondContact OD1-N 3.15Å; N667-A670 PolarHBondContact O-N 3.22Å; N667-A670 WeakPolarHBondContact OD1-CB 3.37Å; N667-A670 PolarHBondContact OD1-N 3.2Å; N667-T671 PolarHBondContact O-N 2.98Å; N667-T671 PolarHBondContact O-OG1 3.37Å; N667-T671 VanDerWaalsContact O-OG1 3.11Å
668S87.5Confident90.8Very high105 Ų10572.5 Ų72.573%0.73437%0.366SS*.Hα-helixtrans-60.9-3517850.20000112.4T671 S672S668-T671 PolarHBondContact O-N 3.47Å; S668-S672 WeakPolarHBondContact O-CB 3.44Å; S668-S672 PolarHBondContact O-N 3.42Å
669D86.8Confident90.9Very high106 Ų10675.1 Ų75.157%0.56738%0.378SS*.Hα-helixtrans-64-47.1176-177.863.4000111.9N667 T671 S672 R673N667-D669 VanDerWaalsContact C-N 3.25Å; N667-D669 PolarHBondContact O-N 3.22Å; N667-D669 WeakPolarHBondContact OD1-CB 3.38Å; N667-D669 PolarHBondContact OD1-N 3.15Å; D669-T671 PolarHBondContact O-N 3.04Å; D669-S672 WeakPolarHBondContact O-CB 3.23Å; D669-S672 PolarHBondContact O-N 2.92Å; D669-S672 VanDerWaalsContact O-N 3.15Å; D669-R673 WeakPolarHBondContact O-CB 3.46Å; D669-R673 PolarHBondContact O-N 3.44Å
670A87.7Confident91.1Very high11 Ų1171.7 Ų71.79%0.09136%0.364CS..Hα-helixtrans-57.8-38174.500000112.3I663 E665 N667 L674I663-A670 HydrophobicContact CG2-CB 3.73Å; E665-A670 WeakPolarHBondContact O-CB 3.41Å; N667-A670 PolarHBondContact O-N 3.22Å; N667-A670 WeakPolarHBondContact OD1-CB 3.37Å; N667-A670 PolarHBondContact OD1-N 3.2Å; A670-L674 WeakPolarHBondContact O-CB 3.43Å; A670-L674 PolarHBondContact O-N 3.4Å
671T90.5Very high91.1Very high88 Ų8871.5 Ų71.554%0.5436%0.363SS..Hα-helixtrans-69.7-42.6177-54.20000111.8N667 S668 D669 L674 T675N667-T671 PolarHBondContact O-N 2.98Å; N667-T671 PolarHBondContact O-OG1 3.37Å; N667-T671 VanDerWaalsContact O-OG1 3.11Å; S668-T671 PolarHBondContact O-N 3.47Å; D669-T671 PolarHBondContact O-N 3.04Å; T671-L674 PolarHBondContact O-N 3.11Å; T671-T675 PolarHBondContact O-N 3.46Å; T671-T675 PolarHBondContact O-OG1 3.32Å
672S91.1Very high91.3Very high74 Ų7472.9 Ų72.952%0.51737%0.372SS..Hα-helixtrans-61.4-46.6174.8-179.20000111.3S668 D669 T675 K676S668-S672 WeakPolarHBondContact O-CB 3.44Å; S668-S672 PolarHBondContact O-N 3.42Å; D669-S672 WeakPolarHBondContact O-CB 3.23Å; D669-S672 PolarHBondContact O-N 2.92Å; D669-S672 VanDerWaalsContact O-N 3.15Å; S672-T675 WeakPolarHBondContact O-CB 3.48Å; S672-T675 PolarHBondContact O-N 3.29Å; S672-K676 WeakPolarHBondContact O-CB 3.44Å; S672-K676 PolarHBondContact O-N 3.26Å
673R91.1Very high91.5Very high55 Ų5573.9 Ų73.921%0.20838%0.379CS..Hα-helixtrans-59.5-49.1175.7-178170.1166.2-131.3-15.5111.4Y547 N548 L662 D669 T675 K676 V677Y547-R673 VanDerWaalsContact C-NH2 3.34Å; Y547-R673 PolarHBondContact O-NE 2.91Å; Y547-R673 PolarHBondContact O-NH2 3.21Å; N548-R673 PolarHBondContact OD1-NH2 2.62Å; L662-R673 PolarHBondContact O-NH1 3.45Å; D669-R673 WeakPolarHBondContact O-CB 3.46Å; D669-R673 PolarHBondContact O-N 3.44Å; R673-T675 VanDerWaalsContact C-N 3.3Å; R673-T675 PolarHBondContact O-N 2.86Å; R673-K676 PolarHBondContact O-N 3.22Å; R673-V677 HydrophobicContact CG-CG2 4.26Å; R673-V677 WeakPolarHBondContact O-CG2 3.11Å; R673-V677 PolarHBondContact O-N 3.34Å
674L93.2Very high91.9Very high44 Ų4470.9 Ų70.923%0.2336%0.364CS..Hα-helixtrans-56.6-44.4176177.762.1000111.8P658 L661 A670 T671 V677 I678P658-L674 HydrophobicContact CB-CD1 4.1Å; P658-L674 HydrophobicContact CG-CD1 4.08Å; L661-L674 HydrophobicContact CD1-CB 4.4Å; L661-L674 HydrophobicContact CD1-CD1 3.69Å; A670-L674 WeakPolarHBondContact O-CB 3.43Å; A670-L674 PolarHBondContact O-N 3.4Å; T671-L674 PolarHBondContact O-N 3.11Å; L674-V677 PolarHBondContact O-N 3.02Å; L674-I678 HydrophobicContact CD1-CD1 3.93Å; L674-I678 HydrophobicContact CD1-CG1 4.22Å; L674-I678 HydrophobicContact CG-CD1 3.89Å; L674-I678 WeakPolarHBondContact O-CB 3.33Å; L674-I678 VanDerWaalsContact O-CG1 3.29Å; L674-I678 WeakPolarHBondContact O-CG1 3.42Å; L674-I678 PolarHBondContact O-N 3.05Å
675T94.4Very high92.5Very high71 Ų7164.4 Ų64.444%0.43634%0.335SS..Hα-helixtrans-61.2-46.1177.4-56.40000111.4T671 S672 R673 V677 I678 N679T671-T675 PolarHBondContact O-N 3.46Å; T671-T675 PolarHBondContact O-OG1 3.32Å; S672-T675 WeakPolarHBondContact O-CB 3.48Å; S672-T675 PolarHBondContact O-N 3.29Å; R673-T675 VanDerWaalsContact C-N 3.3Å; R673-T675 PolarHBondContact O-N 2.86Å; T675-V677 PolarHBondContact O-N 3.34Å; T675-I678 PolarHBondContact O-N 3.11Å; T675-N679 VanDerWaalsContact O-CG 3.31Å; T675-N679 PolarHBondContact O-N 2.88Å
676K93.8Very high93.1Very high127 Ų12760.9 Ų60.955%0.55232%0.321SS*.Hα-helixtrans-62.2-42.3177.6-173.9177.1176.4-175.50112.1Y547 S672 R673 N679 T680Y547-K676 HydrophobicContact CE1-CD 3.75Å; Y547-K676 HydrophobicContact CE1-CG 3.89Å; Y547-K676 WeakPolarHBondContact OH-CE 3.42Å; S672-K676 WeakPolarHBondContact O-CB 3.44Å; S672-K676 PolarHBondContact O-N 3.26Å; R673-K676 PolarHBondContact O-N 3.22Å; K676-N679 PolarHBondContact O-N 2.84Å; K676-T680 WeakPolarHBondContact O-CB 3.39Å; K676-T680 PolarHBondContact O-N 3.15Å; K676-T680 PolarHBondContact O-OG1 3.41Å
677V95.1Very high93.6Very high0 Ų049.8 Ų49.80%028%0.28CS..Hα-helixtrans-64.2-45.8177.7-178.70000110.4V543 Y547 L657 L661 R673 L674 T675 N679 T680 L681V543-V677 HydrophobicContact CG1-CG1 3.9Å; Y547-V677 HydrophobicContact CD1-CG2 3.72Å; Y547-V677 HydrophobicContact CD2-CB 4.27Å; Y547-V677 HydrophobicContact CD2-CG1 4.2Å; Y547-V677 HydrophobicContact CD2-CG2 3.65Å; Y547-V677 HydrophobicContact CE1-CG2 4.31Å; Y547-V677 HydrophobicContact CE2-CG2 4.26Å; Y547-V677 HydrophobicContact CG-CB 4.42Å; Y547-V677 HydrophobicContact CG-CG2 3.35Å; L657-V677 HydrophobicContact CD1-CG1 3.59Å; L657-V677 HydrophobicContact CD2-CB 4.45Å; L657-V677 HydrophobicContact CD2-CG1 3.68Å; L657-V677 HydrophobicContact CG-CG1 3.85Å; L661-V677 HydrophobicContact CD1-CB 4.19Å; L661-V677 HydrophobicContact CD1-CG1 4.26Å; L661-V677 HydrophobicContact CD1-CG2 3.92Å; L661-V677 HydrophobicContact CD2-CG1 4.16Å; L661-V677 HydrophobicContact CD2-CG2 3.96Å; R673-V677 HydrophobicContact CG-CG2 4.26Å; R673-V677 WeakPolarHBondContact O-CG2 3.11Å; R673-V677 PolarHBondContact O-N 3.34Å; L674-V677 PolarHBondContact O-N 3.02Å; T675-V677 PolarHBondContact O-N 3.34Å; V677-N679 PolarHBondContact O-N 3.25Å; V677-T680 PolarHBondContact O-N 3.47Å; V677-L681 WeakPolarHBondContact O-CB 3.35Å; V677-L681 PolarHBondContact O-N 2.99Å
678I96.7Very high94Very high24 Ų2446.7 Ų46.712%0.12326%0.264CS..Hα-helixtrans-58.8-47.7177.1-74.5168.3000110.9I653 L657 L674 T675 T680 L681 T682I653-I678 HydrophobicContact CG2-CG1 4.48Å; I653-I678 HydrophobicContact CG2-CG2 3.87Å; L657-I678 HydrophobicContact CD2-CB 4.43Å; L657-I678 HydrophobicContact CD2-CG1 3.78Å; L674-I678 HydrophobicContact CD1-CD1 3.93Å; L674-I678 HydrophobicContact CD1-CG1 4.22Å; L674-I678 HydrophobicContact CG-CD1 3.89Å; L674-I678 WeakPolarHBondContact O-CB 3.33Å; L674-I678 VanDerWaalsContact O-CG1 3.29Å; L674-I678 WeakPolarHBondContact O-CG1 3.42Å; L674-I678 PolarHBondContact O-N 3.05Å; T675-I678 PolarHBondContact O-N 3.11Å; I678-T680 VanDerWaalsContact C-N 3.35Å; I678-T680 PolarHBondContact O-N 2.87Å; I678-L681 PolarHBondContact O-N 2.91Å; I678-T682 WeakPolarHBondContact O-CB 3.34Å; I678-T682 PolarHBondContact O-N 2.74Å; I678-T682 PolarHBondContact O-OG1 3.08Å
679N95.9Very high94.3Very high95 Ų9544.3 Ų44.351%0.50824%0.243SC..Hα-helixtrans-62.7-43.5178.2-70.1-14.3000111.1T675 K676 V677 L681 T682 T683T675-N679 VanDerWaalsContact O-CG 3.31Å; T675-N679 PolarHBondContact O-N 2.88Å; K676-N679 PolarHBondContact O-N 2.84Å; V677-N679 PolarHBondContact O-N 3.25Å; N679-L681 PolarHBondContact O-N 2.87Å; N679-T682 PolarHBondContact O-N 3.25Å; N679-T683 PolarHBondContact O-N 3.09Å; N679-T683 PolarHBondContact O-OG1 2.8Å
680T96.5Very high94.7Very high12 Ų1246.2 Ų46.27%0.07425%0.246CC..Hα-helixtrans-60.8-47.7177.8-55.60000111.3I500 L504 V543 Y547 K676 V677 I678 T682 F684I500-T680 HydrophobicContact CG2-CG2 4.11Å; L504-T680 HydrophobicContact CD1-CG2 3.84Å; V543-T680 HydrophobicContact CG1-CG2 4.26Å; Y547-T680 HydrophobicContact CE2-CG2 4.01Å; Y547-T680 PolarHBondContact OH-OG1 3.27Å; K676-T680 WeakPolarHBondContact O-CB 3.39Å; K676-T680 PolarHBondContact O-N 3.15Å; K676-T680 PolarHBondContact O-OG1 3.41Å; V677-T680 PolarHBondContact O-N 3.47Å; I678-T680 VanDerWaalsContact C-N 3.35Å; I678-T680 PolarHBondContact O-N 2.87Å; T680-T682 VanDerWaalsContact C-N 3.34Å; T680-T682 PolarHBondContact O-N 3.01Å; T680-F684 WeakPolarHBondContact O-CB 3.3Å; T680-F684 PolarHBondContact O-N 3.15Å
681L97.5Very high95Very high0 Ų045.9 Ų45.90%024%0.243CC..Hα-helixtrans-65.7-38.7179.9-177.659.6000111.8A539 V543 V652 I653 L657 V677 I678 N679 F684 I685A539-L681 HydrophobicContact CB-CD1 4.08Å; V543-L681 HydrophobicContact CB-CD1 4.32Å; V543-L681 HydrophobicContact CG1-CB 4.18Å; V543-L681 HydrophobicContact CG2-CD1 3.99Å; V652-L681 HydrophobicContact CG1-CD2 3.87Å; I653-L681 HydrophobicContact CG1-CD2 4.39Å; L657-L681 HydrophobicContact CB-CD2 4.32Å; L657-L681 HydrophobicContact CD1-CD2 4.05Å; L657-L681 HydrophobicContact CD2-CB 4.11Å; L657-L681 HydrophobicContact CD2-CD2 3.65Å; L657-L681 HydrophobicContact CG-CD2 4.21Å; V677-L681 WeakPolarHBondContact O-CB 3.35Å; V677-L681 PolarHBondContact O-N 2.99Å; I678-L681 PolarHBondContact O-N 2.91Å; N679-L681 PolarHBondContact O-N 2.87Å; L681-F684 PolarHBondContact O-N 3.12Å; L681-I685 HydrophobicContact CD1-CD1 3.98Å; L681-I685 HydrophobicContact CD1-CG1 4.15Å; L681-I685 HydrophobicContact CG-CD1 3.84Å; L681-I685 HydrophobicContact CG-CG1 4.44Å; L681-I685 VanDerWaalsContact O-CG1 3.26Å; L681-I685 WeakPolarHBondContact O-CG1 3.35Å; L681-I685 PolarHBondContact O-N 3.21Å
682T97.3Very high95Very high37 Ų3748 Ų4823%0.22725%0.247CC..Hα-helixtrans-61.6-54.2177.8-56.90000110.2I678 N679 T680 F684 I685 D686I678-T682 WeakPolarHBondContact O-CB 3.34Å; I678-T682 PolarHBondContact O-N 2.74Å; I678-T682 PolarHBondContact O-OG1 3.08Å; N679-T682 PolarHBondContact O-N 3.25Å; T680-T682 VanDerWaalsContact C-N 3.34Å; T680-T682 PolarHBondContact O-N 3.01Å; T682-F684 VanDerWaalsContact C-N 3.27Å; T682-F684 PolarHBondContact O-N 2.62Å; T682-I685 PolarHBondContact O-N 3.33Å; T682-D686 PolarHBondContact O-N 3.05Å
683T96.6Very high94.9Very high43 Ų4345.1 Ų45.126%0.26423%0.225SC..Hα-helixtrans-60.2-37.3177.4-54.90000112.2L499 I500 N679 L687L499-T683 HydrophobicContact CB-CG2 3.77Å; L499-T683 HydrophobicContact CD1-CG2 3.97Å; I500-T683 HydrophobicContact CG2-CG2 3.97Å; N679-T683 PolarHBondContact O-N 3.09Å; N679-T683 PolarHBondContact O-OG1 2.8Å; T683-L687 WeakPolarHBondContact O-CB 3.49Å; T683-L687 PolarHBondContact O-N 3.34Å
684F97Very high94.7Very high0 Ų046 Ų460%024%0.24CC..Hα-helixtrans-63-46.1176177.9-84.7000112.3I500 L504 L507 A508 L511 A539 T680 L681 T682 L687 C688I500-F684 HydrophobicContact CD1-CB 4.49Å; I500-F684 HydrophobicContact CD1-CD2 3.87Å; L504-F684 HydrophobicContact CB-CD2 3.91Å; L504-F684 HydrophobicContact CB-CE2 4Å; L504-F684 HydrophobicContact CD1-CD2 4.48Å; L504-F684 HydrophobicContact CD2-CD2 4.09Å; L504-F684 HydrophobicContact CD2-CE2 3.85Å; L504-F684 HydrophobicContact CG-CD2 4.4Å; L504-F684 HydrophobicContact CG-CE2 4.48Å; L504-F684 WeakPolarHBondContact O-CE2 3.32Å; L507-F684 HydrophobicContact CB-CE2 4.25Å; L507-F684 HydrophobicContact CB-CZ 4.3Å; L507-F684 HydrophobicContact CD2-CE2 4.35Å; L507-F684 HydrophobicContact CD2-CZ 4Å; L507-F684 HydrophobicContact CG-CE2 4.37Å; L507-F684 HydrophobicContact CG-CZ 3.96Å; A508-F684 HydrophobicContact CB-CD2 4.31Å; A508-F684 HydrophobicContact CB-CE2 3.89Å; A508-F684 HydrophobicContact CB-CZ 4.15Å; L511-F684 HydrophobicContact CD1-CE1 3.79Å; L511-F684 HydrophobicContact CD1-CZ 3.75Å; A539-F684 HydrophobicContact CB-CD1 3.89Å; A539-F684 HydrophobicContact CB-CE1 3.49Å; A539-F684 VanDerWaalsContact CB-CE1 3.49Å; A539-F684 HydrophobicContact CB-CZ 4.48Å; T680-F684 WeakPolarHBondContact O-CB 3.3Å; T680-F684 PolarHBondContact O-N 3.15Å; L681-F684 PolarHBondContact O-N 3.12Å; T682-F684 VanDerWaalsContact C-N 3.27Å; T682-F684 PolarHBondContact O-N 2.62Å; F684-L687 WeakPolarHBondContact O-CB 3.31Å; F684-L687 PolarHBondContact O-N 3.33Å; F684-C688 VanDerWaalsContact CE1-SG 3.6Å; F684-C688 PolarHBondContact O-N 3.45Å; F684-C688 PolarHBondContact O-SG 3.22Å
685I97.3Very high94Very high0 Ų046 Ų460%024%0.24CC..Hα-helixtrans-64.4-45.1177.7-69.1165.4000110.1L536 I653 L681 T682 L687 C688 D689L536-I685 HydrophobicContact CD2-CD1 3.59Å; L536-I685 HydrophobicContact CD2-CG1 3.97Å; L536-I685 HydrophobicContact CD2-CG2 4.4Å; I653-I685 HydrophobicContact CD1-CD1 4.47Å; L681-I685 HydrophobicContact CD1-CD1 3.98Å; L681-I685 HydrophobicContact CD1-CG1 4.15Å; L681-I685 HydrophobicContact CG-CD1 3.84Å; L681-I685 HydrophobicContact CG-CG1 4.44Å; L681-I685 VanDerWaalsContact O-CG1 3.26Å; L681-I685 WeakPolarHBondContact O-CG1 3.35Å; L681-I685 PolarHBondContact O-N 3.21Å; T682-I685 PolarHBondContact O-N 3.33Å; I685-L687 VanDerWaalsContact C-N 3.27Å; I685-L687 PolarHBondContact O-N 3.22Å; I685-C688 WeakPolarHBondContact O-CB 3.34Å; I685-C688 PolarHBondContact O-N 3.38Å; I685-D689 PolarHBondContact O-N 3.04Å
686D95.8Very high93Very high70 Ų7044.1 Ų44.137%0.37423%0.229SC..Hα-helixtrans-60.9-37.5177.6-68.5-33.7000112R649 T682 D689 K690R649-D686 IonicContact CZ-OD1 3.14Å; R649-D686 IonicContact NH1-OD1 2.76Å; R649-D686 PolarHBondContact NH1-OD1 2.75Å; R649-D686 VanDerWaalsContact NH2-CG 3.27Å; R649-D686 IonicContact NH2-OD1 2.68Å; R649-D686 PolarHBondContact NH2-OD1 3.29Å; R649-D686 IonicContact NH2-OD2 3.22Å; R649-D686 PolarHBondContact NH2-OD2 3.15Å; T682-D686 PolarHBondContact O-N 3.05Å; D686-D689 PolarHBondContact O-N 3.07Å; D686-K690 VanDerWaalsContact O-CB 3.32Å; D686-K690 WeakPolarHBondContact O-CB 3.48Å; D686-K690 PolarHBondContact O-N 2.93Å; D686-K690 VanDerWaalsContact O-N 3.08Å
687L95.7Very high91.6Very high16 Ų1644.4 Ų44.48%0.08425%0.247CC..Hα-helixtrans-63.3-41.7173.1178.864.5000111.7P495 I500 Y505 A508 T683 F684 I685 K690 I691P495-L687 HydrophobicContact CB-CD1 4.17Å; P495-L687 HydrophobicContact CG-CD1 3.58Å; I500-L687 HydrophobicContact CD1-CD2 3.62Å; I500-L687 HydrophobicContact CG1-CD2 4.46Å; Y505-L687 HydrophobicContact CD2-CD2 3.9Å; A508-L687 HydrophobicContact CB-CD2 3.69Å; A508-L687 HydrophobicContact CB-CG 4.06Å; T683-L687 WeakPolarHBondContact O-CB 3.49Å; T683-L687 PolarHBondContact O-N 3.34Å; F684-L687 WeakPolarHBondContact O-CB 3.31Å; F684-L687 PolarHBondContact O-N 3.33Å; I685-L687 VanDerWaalsContact C-N 3.27Å; I685-L687 PolarHBondContact O-N 3.22Å; L687-K690 PolarHBondContact O-N 2.68Å; L687-I691 HydrophobicContact CD1-CD1 4.26Å; L687-I691 HydrophobicContact CD1-CG1 4.35Å; L687-I691 HydrophobicContact CG-CD1 4.06Å; L687-I691 WeakPolarHBondContact O-CG1 3.41Å; L687-I691 PolarHBondContact O-N 2.76Å
688C96Very high90.3Very high3 Ų346.4 Ų46.42%0.0226%0.261CS..Hα-helixtrans-63.3-41.7177.9-63.20000111.9S512 F529 F684 I685 K690S512-C688 VanDerWaalsContact OG-CA 3.27Å; S512-C688 WeakPolarHBondContact OG-CA 3.48Å; S512-C688 PolarHBondContact OG-O 3.19Å; S512-C688 VanDerWaalsContact OG-O 3.07Å; F529-C688 HydrophobicContact CB-CB 4.4Å; F529-C688 HydrophobicContact CD1-CB 3.38Å; F529-C688 HydrophobicContact CD2-CB 4.44Å; F529-C688 HydrophobicContact CE1-CB 3.69Å; F529-C688 HydrophobicContact CG-CB 3.82Å; F529-C688 HydrophobicContact CZ-CB 4.34Å; F684-C688 VanDerWaalsContact CE1-SG 3.6Å; F684-C688 PolarHBondContact O-N 3.45Å; F684-C688 PolarHBondContact O-SG 3.22Å; I685-C688 WeakPolarHBondContact O-CB 3.34Å; I685-C688 PolarHBondContact O-N 3.38Å; C688-K690 VanDerWaalsContact C-N 3.27Å; C688-K690 PolarHBondContact O-N 3.08Å
689D95Very high88.8Confident54 Ų5446.2 Ų46.229%0.28926%0.262SS..Hα-helixtrans-66.3-29.1176.2-76.5-28.8000112.2F529 S530 I685 D686F529-D689 WeakPolarHBondContact CA-OD1 2.98Å; F529-D689 VanDerWaalsContact CB-OD1 3.26Å; F529-D689 WeakPolarHBondContact CB-OD1 3.19Å; F529-D689 PolarHBondContact N-OD1 3.36Å; S530-D689 WeakPolarHBondContact CB-OD2 3.45Å; S530-D689 PolarHBondContact N-OD1 3.36Å; S530-D689 PolarHBondContact OG-OD2 3.45Å; I685-D689 PolarHBondContact O-N 3.04Å; D686-D689 PolarHBondContact O-N 3.07Å
690K93.8Very high87.2Confident147 Ų14747.8 Ų47.864%0.63927%0.27SS*.Hα-helixtrans-82.8-23.6-176.9-176.1177178.7-178.20114.6D686 L687 C688 E692D686-K690 VanDerWaalsContact O-CB 3.32Å; D686-K690 WeakPolarHBondContact O-CB 3.48Å; D686-K690 PolarHBondContact O-N 2.93Å; D686-K690 VanDerWaalsContact O-N 3.08Å; L687-K690 PolarHBondContact O-N 2.68Å; C688-K690 VanDerWaalsContact C-N 3.27Å; C688-K690 PolarHBondContact O-N 3.08Å; K690-E692 PolarHBondContact O-N 3.18Å
691I94Very high86Confident4 Ų451.1 Ų51.12%0.02129%0.294CS..  trans-72.6117.3-177.6-71.5161.6000109.1F491 P495 A508 V509 Q516 L687F491-I691 HydrophobicContact CD1-CG2 4.06Å; F491-I691 HydrophobicContact CE1-CG2 3.89Å; P495-I691 HydrophobicContact CG-CG1 3.83Å; A508-I691 HydrophobicContact CB-CD1 4.33Å; V509-I691 HydrophobicContact CG2-CD1 3.89Å; Q516-I691 PolarHBondContact NE2-O 2.96Å; L687-I691 HydrophobicContact CD1-CD1 4.26Å; L687-I691 HydrophobicContact CD1-CG1 4.35Å; L687-I691 HydrophobicContact CG-CD1 4.06Å; L687-I691 WeakPolarHBondContact O-CG1 3.41Å; L687-I691 PolarHBondContact O-N 2.76Å
692E91Very high85.3Confident131 Ų13152.3 Ų52.361%0.61230%0.299SS*.  trans-107.2132.1-179.6-69.6177.7-178.400111.7A492 K690A492-E692 HydrophobicContact CB-CB 4.11Å; A492-E692 PolarHBondContact N-O 3.31Å; K690-E692 PolarHBondContact O-N 3.18Å
693I89.9Confident84.9Confident14 Ų1451.6 Ų51.67%0.07229%0.292CS..BIsolated β-bridgetrans-122.6124.9176.8-60.7155.5000108.5L489 N490 F491 F513 Q516 L695L489-I693 WeakPolarHBondContact O-CG2 3.29Å; N490-I693 WeakPolarHBondContact O-CA 3.38Å; F491-I693 HydrophobicContact CD1-CD1 4.31Å; F491-I693 HydrophobicContact CD1-CG1 3.61Å; F491-I693 HydrophobicContact CE1-CD1 3.71Å; F491-I693 HydrophobicContact CE1-CG1 3.53Å; F491-I693 HydrophobicContact CG-CG1 4.37Å; F491-I693 HydrophobicContact CZ-CD1 4.19Å; F491-I693 HydrophobicContact CZ-CG1 4.25Å; F513-I693 VanDerWaalsContact CA-CD1 3.44Å; F513-I693 HydrophobicContact CB-CD1 3.85Å; F513-I693 HydrophobicContact CD2-CD1 3.51Å; F513-I693 HydrophobicContact CD2-CG1 4.46Å; F513-I693 HydrophobicContact CE2-CD1 4.39Å; F513-I693 HydrophobicContact CG-CD1 4.04Å; Q516-I693 HydrophobicContact CB-CD1 4.48Å; Q516-I693 PolarHBondContact OE1-O 2.93Å; I693-L695 HydrophobicContact CG2-CD2 4.21Å; I693-L695 PolarHBondContact O-N 2.99Å
694S86.5Confident84.5Confident75 Ų7551.8 Ų51.852%0.52430%0.296SS..  trans-75.890.8174.8-62.30000109.4N490N490-S694 WeakPolarHBondContact CB-O 3Å; N490-S694 PolarHBondContact ND2-O 2.91Å; N490-S694 VanDerWaalsContact ND2-O 3.15Å; N490-S694 PolarHBondContact O-N 3.38Å
695L77.7Confident84Confident44 Ų4455 Ų5523%0.2331%0.312CS..  trans-66.7136.6177.8-65.4173.4000110.6Q516 K519 I693Q516-L695 HydrophobicContact CB-CD1 4.22Å; Q516-L695 WeakPolarHBondContact O-CD1 3.36Å; K519-L695 HydrophobicContact CB-CD1 4.12Å; K519-L695 HydrophobicContact CD-CD1 4.11Å; I693-L695 HydrophobicContact CG2-CD2 4.21Å; I693-L695 PolarHBondContact O-N 2.99Å
696P73.2Confident83.5Confident31 Ų3158.1 Ų58.120%0.20133%0.327CS..  trans-60.7148167.726.7-33.2000110.3S698 F702P696-S698 VanDerWaalsContact C-N 3.25Å; P696-S698 PolarHBondContact O-N 3.49Å; P696-F702 HydrophobicContact CB-CE2 3.81Å; P696-F702 HydrophobicContact CB-CZ 3.67Å; P696-F702 HydrophobicContact CG-CE2 3.31Å; P696-F702 HydrophobicContact CG-CZ 3.42Å; P696-F702 VanDerWaalsContact CG-CZ 3.42Å
697S65.8Low82.9Confident133 Ų13360.7 Ų60.793%0.9334%0.337SS*.SBendtrans-66.3-20.3-174.149.90000115
698S67.6Low82.1Confident42 Ų4261.2 Ų61.229%0.29434%0.339SS..  trans-151.3141.9173.8165.40000111.3P696 D700 S701P696-S698 VanDerWaalsContact C-N 3.25Å; P696-S698 PolarHBondContact O-N 3.49Å; S698-D700 VanDerWaalsContact C-N 3.34Å; S698-D700 WeakPolarHBondContact OG-CB 3.46Å; S698-D700 PolarHBondContact OG-N 2.92Å; S698-D700 PolarHBondContact OG-OD2 3.41Å; S698-D700 VanDerWaalsContact OG-OD2 3.06Å; S698-S701 PolarHBondContact O-OG 3.34Å
699S65.3Low80.5Confident19 Ų1971.1 Ų71.113%0.13339%0.385CS..G310 helixtrans-75-20.6171.953.20000113.5S701 F702S699-S701 PolarHBondContact O-N 2.87Å; S699-F702 WeakPolarHBondContact O-CB 3.47Å; S699-F702 WeakPolarHBondContact O-CD2 3.29Å; S699-F702 PolarHBondContact O-N 2.73Å
700D60.9Low78.7Confident128 Ų12871.5 Ų71.568%0.68439%0.392SS*.G310 helixtrans-60.1-19.7-177.5-59.4-41.8000112.6S698 F702S698-D700 VanDerWaalsContact C-N 3.34Å; S698-D700 WeakPolarHBondContact OG-CB 3.46Å; S698-D700 PolarHBondContact OG-N 2.92Å; S698-D700 PolarHBondContact OG-OD2 3.41Å; S698-D700 VanDerWaalsContact OG-OD2 3.06Å; D700-F702 VanDerWaalsContact C-N 3.27Å; D700-F702 PolarHBondContact O-N 3.49Å
701S72.3Confident76.4Confident82 Ų8266.4 Ų66.457%0.57337%0.372SS*.G310 helixtrans-73.8-14.417567.20000114.2S698 S699S698-S701 PolarHBondContact O-OG 3.34Å; S699-S701 PolarHBondContact O-N 2.87Å
702F82.2Confident74Confident26 Ų2673.8 Ų73.811%0.11440%0.401CS..SBendtrans-100.6-15.3-172.6-60.8-62.4000114.9L422 L423 P468 P696 S699 D700L422-F702 HydrophobicContact CD2-CB 4.28Å; L423-F702 HydrophobicContact CD2-CD1 3.97Å; L423-F702 HydrophobicContact CD2-CD2 3.92Å; L423-F702 HydrophobicContact CD2-CE1 3.97Å; L423-F702 HydrophobicContact CD2-CE2 3.96Å; L423-F702 HydrophobicContact CD2-CG 3.96Å; L423-F702 HydrophobicContact CD2-CZ 3.99Å; P468-F702 WeakPolarHBondContact CD-O 3.38Å; P696-F702 HydrophobicContact CB-CE2 3.81Å; P696-F702 HydrophobicContact CB-CZ 3.67Å; P696-F702 HydrophobicContact CG-CE2 3.31Å; P696-F702 HydrophobicContact CG-CZ 3.42Å; P696-F702 VanDerWaalsContact CG-CZ 3.42Å; S699-F702 WeakPolarHBondContact O-CB 3.47Å; S699-F702 WeakPolarHBondContact O-CD2 3.29Å; S699-F702 PolarHBondContact O-N 2.73Å; D700-F702 VanDerWaalsContact C-N 3.27Å; D700-F702 PolarHBondContact O-N 3.49Å
703Y88.7Confident71.3Confident21 Ų2173.3 Ų73.38%0.08241%0.407CS..  trans-161.7160.7178.456.5-88.6000112.7E419 L422 F465 R466 I705E419-Y703 PolarHBondContact OE1-OH 3.5Å; E419-Y703 PolarHBondContact OE2-OH 3.36Å; L422-Y703 HydrophobicContact CD2-CD1 3.41Å; L422-Y703 VanDerWaalsContact CD2-CD1 3.41Å; L422-Y703 HydrophobicContact CD2-CE1 3.3Å; F465-Y703 HydrophobicContact CD1-CD1 4.38Å; F465-Y703 AromaticContact CD1-CD2 3.53Å; F465-Y703 HydrophobicContact CD1-CD2 3.53Å; F465-Y703 AromaticContact CD1-CE2 3.82Å; F465-Y703 HydrophobicContact CD1-CE2 3.82Å; F465-Y703 AromaticContact CD1-CG 3.83Å; F465-Y703 HydrophobicContact CD1-CG 3.83Å; F465-Y703 HydrophobicContact CE1-CD1 4.49Å; F465-Y703 AromaticContact CE1-CD2 3.62Å; F465-Y703 HydrophobicContact CE1-CD2 3.62Å; F465-Y703 HydrophobicContact CE1-CE1 4.27Å; F465-Y703 AromaticContact CE1-CE2 3.36Å; F465-Y703 HydrophobicContact CE1-CE2 3.36Å; F465-Y703 HydrophobicContact CE1-CG 4.17Å; F465-Y703 AromaticContact CE1-CZ 3.69Å; F465-Y703 HydrophobicContact CG-CD2 4.35Å; F465-Y703 HydrophobicContact CZ-CD2 4.48Å; F465-Y703 HydrophobicContact CZ-CE2 4.03Å; R466-Y703 CarbonylContact O-C 3.59Å; R466-Y703 WeakPolarHBondContact O-CA 3.37Å; R466-Y703 VanDerWaalsContact O-CB 3.29Å; R466-Y703 WeakPolarHBondContact O-CB 3.5Å; Y703-I705 HydrophobicContact CD2-CD1 4.34Å; Y703-I705 HydrophobicContact CD2-CG1 3.89Å; Y703-I705 HydrophobicContact CE2-CD1 3.79Å; Y703-I705 HydrophobicContact CE2-CG1 3.83Å
704S88.8Confident68.7Low48 Ų4876.4 Ų76.434%0.33643%0.427SS..EExtended strand (participates in β ladder)trans-116.2143.216462.10000110.7R466 H706R466-S704 PolarHBondContact N-O 3.27Å; R466-S704 PolarHBondContact O-N 2.92Å; S704-H706 PolarHBondContact OG-NE2 3.48Å
705I86.5Confident66Low67 Ų6782.1 Ų82.134%0.34444%0.443SS..EExtended strand (participates in β ladder)trans-101.8134.1-179.5-63.8157.4000109.3Q458 V463 F465 Y703Q458-I705 VanDerWaalsContact NE2-CD1 3.3Å; Q458-I705 VanDerWaalsContact OE1-CG2 3.27Å; V463-I705 HydrophobicContact CB-CG2 4.08Å; V463-I705 HydrophobicContact CG1-CG2 4.45Å; V463-I705 HydrophobicContact CG2-CG2 4.16Å; F465-I705 HydrophobicContact CD2-CG1 4.38Å; F465-I705 HydrophobicContact CE2-CG1 4.11Å; F465-I705 HydrophobicContact CZ-CD1 4.48Å; F465-I705 HydrophobicContact CZ-CG1 4.23Å; Y703-I705 HydrophobicContact CD2-CD1 4.34Å; Y703-I705 HydrophobicContact CD2-CG1 3.89Å; Y703-I705 HydrophobicContact CE2-CD1 3.79Å; Y703-I705 HydrophobicContact CE2-CG1 3.83Å
706H87Confident63.7Low65 Ų6585.9 Ų85.930%0.30147%0.468SS..EExtended strand (participates in β ladder)trans-128.9128.8176.1-60.9-98.4000109.4M464 S704M464-H706 HydrophobicContact CB-CB 4.31Å; M464-H706 HydrophobicContact CE-CB 3.47Å; M464-H706 VanDerWaalsContact CE-CB 3.47Å; M464-H706 PolarHBondContact N-O 2.76Å; M464-H706 PolarHBondContact O-N 2.78Å; S704-H706 PolarHBondContact OG-NE2 3.48Å
707E82.9Confident61.5Low125 Ų12590.1 Ų90.158%0.58449%0.493SS*.EExtended strand (participates in β ladder)trans-70.5145.2171.4-68.4-157.2177.200110.5K461K461-E707 IonicContact NZ-OE1 3.29Å; K461-E707 PolarHBondContact NZ-OE1 2.88Å; K461-E707 IonicContact NZ-OE2 3.49Å; K461-E707 PolarHBondContact NZ-OE2 3.48Å
708L79.7Confident59.7Low26 Ų2688.4 Ų88.414%0.13648%0.479CS..  trans-77.5133.1176.1-59.5174.5000109.9Q91 Y455 L462 M464 S710 N711Q91-L708 HydrophobicContact CG-CD1 4.48Å; Y455-L708 HydrophobicContact CD1-CD1 4.39Å; Y455-L708 HydrophobicContact CD1-CD2 3.9Å; Y455-L708 HydrophobicContact CE1-CD2 3.69Å; L462-L708 HydrophobicContact CB-CD1 4.27Å; L462-L708 HydrophobicContact CD2-CD1 4.21Å; L462-L708 HydrophobicContact CG-CD1 4.06Å; L462-L708 WeakPolarHBondContact O-CD1 3.46Å; M464-L708 HydrophobicContact CB-CD2 4.05Å; L708-S710 PolarHBondContact O-N 3.28Å; L708-N711 PolarHBondContact O-N 3.35Å
709E61.8Low57.8Low211 Ų21192.9 Ų92.999%0.98650%0.504SS*.THydrogen-bonded Turntrans-54-26.9179.3-67.2-178.216800113.4
710S56.2Low55.9Low63 Ų6398.1 Ų98.144%0.44153%0.529SS..THydrogen-bonded Turntrans-124.873.917769.70000111.1L708 Y712L708-S710 PolarHBondContact O-N 3.28Å; S710-Y712 VanDerWaalsContact C-N 3.29Å; S710-Y712 PolarHBondContact O-N 3.22Å
711N47.4Very low54.5Low40 Ų4097.1 Ų97.121%0.21453%0.53CS..  trans-62.4105.2147.7-79.8-41.9000105.7L708 V713L708-N711 PolarHBondContact O-N 3.35Å; N711-V713 VanDerWaalsContact C-N 3.28Å; N711-V713 PolarHBondContact O-N 3.43Å
712Y41.9Very low52.4Low159 Ų159100.5 Ų100.562%0.62454%0.542SS*.  trans-60.994.3179.9-142.5-85.3000106.7F95 S710 P714F95-Y712 WeakPolarHBondContact CE1-O 3.47Å; F95-Y712 WeakPolarHBondContact CZ-O 3.36Å; S710-Y712 VanDerWaalsContact C-N 3.29Å; S710-Y712 PolarHBondContact O-N 3.22Å; Y712-P714 WeakPolarHBondContact O-CD 3.46Å
713V35.8Very low49.8Very low121 Ų121106.9 Ų106.973%0.73358%0.576SS**  trans-60.8114.2173.3-178.30000104.6N711 K715N711-V713 VanDerWaalsContact C-N 3.28Å; N711-V713 PolarHBondContact O-N 3.43Å; V713-K715 PolarHBondContact O-N 3.04Å
714P34.7Very low46.9Very low78 Ų78111.2 Ų111.251%0.50661%0.608SS.*  trans-56.5121.2172.6-14.828.2000104.3Y712 T716Y712-P714 WeakPolarHBondContact O-CD 3.46Å; P714-T716 PolarHBondContact O-N 2.95Å
715K29.7Very low44.2Very low195 Ų195116.8 Ų116.885%0.84863%0.634SS**  trans-55.1102.9157.3-78.4-174.6178.3-178.30103.3V713 V717V713-K715 PolarHBondContact O-N 3.04Å; K715-V717 PolarHBondContact O-N 2.91Å
716T28.7Very low41.2Very low123 Ų123124.3 Ų124.376%0.75566%0.658SS**  trans-55.695.716228.60000103.5P714 P718P714-T716 PolarHBondContact O-N 2.95Å; T716-P718 WeakPolarHBondContact O-CD 3.45Å
717V28.1Very low38.4Very low120 Ų120129.3 Ų129.373%0.72769%0.687SS**  trans-58.7113.4161178.80000102.2K715 T719K715-V717 PolarHBondContact O-N 2.91Å; V717-T719 PolarHBondContact O-N 3.45Å
718P28.2Very low35.6Very low98 Ų98130.2 Ų130.264%0.63670%0.696SS**  trans-53.3123.7176.8-19.231000105.2T716 I720T716-P718 WeakPolarHBondContact O-CD 3.45Å; P718-I720 PolarHBondContact O-N 2.99Å
719T26.8Very low33Very low135 Ų135134.2 Ų134.283%0.82872%0.722SS**  trans-63.689170.4-29.60000104.6V717 P721V717-T719 PolarHBondContact O-N 3.45Å; T719-P721 WeakPolarHBondContact O-CD 3.48Å
720I26.7Very low31.3Very low130 Ų130131 Ų13167%0.66771%0.711SS**  trans-60.5113.7167.8-61.2176.1000102.9P718 N722P718-I720 PolarHBondContact O-N 2.99Å; I720-N722 PolarHBondContact O-N 2.87Å; I720-N722 VanDerWaalsContact O-N 3.12Å
721P29.9Very low29.9Very low106 Ų106136.6 Ų136.669%0.68874%0.735SS**  trans-54.9126.2178.6-20.232.1000106.7T719 L723T719-P721 WeakPolarHBondContact O-CD 3.48Å; P721-L723 VanDerWaalsContact C-N 3.34Å; P721-L723 PolarHBondContact O-N 3Å
722N29.3Very low28.9Very low154 Ų154141.5 Ų141.582%0.82477%0.766SS**  trans-48.498.7-177.9-83-31.9000110.4I720 C724I720-N722 PolarHBondContact O-N 2.87Å; I720-N722 VanDerWaalsContact O-N 3.12Å; N722-C724 PolarHBondContact O-N 3.36Å
723L26.7Very low27.9Very low160 Ų160137.1 Ų137.184%0.83877%0.769SS**  trans-75.762164-99153.9000107.7P721P721-L723 VanDerWaalsContact C-N 3.34Å; P721-L723 PolarHBondContact O-N 3Å
724C28.9Very low27.4Very low111 Ų111141.5 Ų141.575%0.7578%0.778SS**  trans-140.935172-76.70000111.3N722 R726N722-C724 PolarHBondContact O-N 3.36Å; C724-R726 VanDerWaalsContact C-N 3.32Å
725D30.6Very low26.8Very low165 Ų165146.9 Ų146.988%0.88280%0.797SS**SBendtrans-101.442.4156-90.9-21.5000110
726R24.4Very low26.6Very low225 Ų225143.2 Ų143.285%0.84980%0.795SS**  trans-149.884.2166.9-76-166.5177.8172.8-1.1109.7C724C724-R726 VanDerWaalsContact C-N 3.32Å
727N27.3Very low26.3Very low170 Ų170146.3 Ų146.391%0.90980%0.801SS**  trans-15396.8137.1-95.3-18.5000109.2
728N25.1Very low26.2Very low145 Ų145146.1 Ų146.178%0.77581%0.805SS**  trans-50.2145.1160.5-87.2-26.2000111.9
729T24.9Very low26Very low110 Ų110147.4 Ų147.468%0.67581%0.812SS**  trans46.7133.4135.863.60000120.5
730N25.7Very low25.9Very low143 Ų143150.4 Ų150.477%0.76581%0.813SS**  trans93.490.8160.2-52.9-25.3000115.2
731L28.3Very low25.9Very low181 Ų181151.8 Ų151.895%0.94882%0.822SS**  trans-154.587.9132-98.5165.1000108
732V24.4Very low25.7Very low143 Ų143152.5 Ų152.587%0.86782%0.824SS**  trans-69.2130.8162.21700000107.7
733G22.7Very low25.4Very low66 Ų66152.4 Ų152.468%0.6882%0.822SS**  trans97.591.5153.200000117.2
734K25.2Very low25.4Very low213 Ų213152.8 Ų152.893%0.92682%0.817SS**  -167.2117.5119.2-103.8172.2-175.9-177.80110.3
735Q20.5Very low25.2Very low192 Ų192153.4 Ų153.490%0.89782%0.82SS**  trans-71.7132.9167.8-73.2169.8-28.400109.3
736S27.2Very low25Very low117 Ų117156.5 Ų156.582%0.81882%0.819SS**  trans-148.3126.1151.957.70000109.4
737H22.3Very low25.2Very low188 Ų188149 Ų14987%0.8781%0.811SS**  trans-61.7134-179.5-70.4-95.2000113.1
738S26.3Very low25.1Very low117 Ų117147 Ų14782%0.81881%0.81SS**  176129.611859.80000110.7
739T23.6Very low25.2Very low125 Ų125151.2 Ų151.277%0.76782%0.815SS**  trans-57.8133.2178.734.50000115.5
740F24.6Very low25.3Very low197 Ų197154.7 Ų154.786%0.86482%0.824SS**  172.589.3110.9-104.5-84.5000108.1V742F740-V742 PolarHBondContact O-N 3.24Å
741N26.1Very low25.4Very low159 Ų159157.3 Ų157.385%0.8583%0.828SS**  trans-81.4110.6172.1-82.4-32.5000108.7I743N741-I743 PolarHBondContact O-N 3.19Å; N741-I743 VanDerWaalsContact O-N 3.1Å
742V25.6Very low25.2Very low121 Ų121159.7 Ų159.773%0.73382%0.824SS**  trans-59.5111.3163176.40000107.3F740 F744F740-V742 PolarHBondContact O-N 3.24Å; V742-F744 PolarHBondContact O-N 2.91Å
743I24Very low25.3Very low152 Ų152161.6 Ų161.678%0.77982%0.824SS**  trans-69.797.6178-61171.6000107.1N741N741-I743 PolarHBondContact O-N 3.19Å; N741-I743 VanDerWaalsContact O-N 3.1Å
744F25.4Very low25.4Very low169 Ų169165 Ų16574%0.74183%0.826SS**  trans-63.9136.6156-75.4-84.7000107.9V742 R746V742-F744 PolarHBondContact O-N 2.91Å; F744-R746 VanDerWaalsContact C-N 3.32Å; F744-R746 PolarHBondContact O-N 2.94Å
745P25.1Very low25.4Very low123 Ų123166 Ų16680%0.79982%0.824SS**  trans-6496.1178.125.7-30.5000108.4G747P745-G747 PolarHBondContact O-N 3.44Å
746R26.8Very low25.7Very low230 Ų230162.8 Ų162.887%0.86882%0.818SS**  trans-64.6119.9166-87.8-177.3171.6173.3-2106.8F744F744-R746 VanDerWaalsContact C-N 3.32Å; F744-R746 PolarHBondContact O-N 2.94Å
747G27.5Very low25.6Very low67 Ų67162.4 Ų162.469%0.69182%0.815SS**  trans-46.2143.8171.500000111.6P745 R749P745-G747 PolarHBondContact O-N 3.44Å; G747-R749 PolarHBondContact O-N 2.82Å
748C26.2Very low25.8Very low130 Ų130161.3 Ų161.388%0.87882%0.816SS**  trans-38.4112.3178.7-67.40000111.2E750C748-E750 PolarHBondContact O-N 3.15Å
749R26.6Very low25.8Very low233 Ų233164.8 Ų164.888%0.87982%0.816SS**  trans-60.2106.9162.1-91.5177.8166.7174-4.8107.3G747 K751G747-R749 PolarHBondContact O-N 2.82Å; R749-K751 PolarHBondContact O-N 2.91Å
750E27.7Very low25.7Very low183 Ų183169.4 Ų169.486%0.85582%0.82SS**  trans-54.8133.4162.2-75.4179.9155.100109.1C748 R752C748-E750 PolarHBondContact O-N 3.15Å; E750-R752 PolarHBondContact O-N 3.31Å; E750-R752 VanDerWaalsContact O-N 3.11Å
751K27.4Very low25.8Very low197 Ų197166.9 Ų166.986%0.85781%0.814SS**  trans-56.3115.6176.6-81.4176.6172.7177.20108.6R749 E753R749-K751 PolarHBondContact O-N 2.91Å; K751-E753 PolarHBondContact O-N 3.26Å
752R24.6Very low25.6Very low231 Ų231169.3 Ų169.387%0.87281%0.812SS**  trans-61.997.6160.3-83.8-179.8170175.9-5108.3E750 N754E750-R752 PolarHBondContact O-N 3.31Å; E750-R752 VanDerWaalsContact O-N 3.11Å; R752-N754 PolarHBondContact O-N 3.18Å
753E26.6Very low25.5Very low184 Ų184170.2 Ų170.286%0.8681%0.813SS**  trans-76.5107.5152.1-75.8-174.7169.400107.6K751K751-E753 PolarHBondContact O-N 3.26Å
754N24.8Very low25.4Very low136 Ų136172 Ų17273%0.72782%0.815SS**  trans-70.6148.2165.3-79.5-33.1000109.3R752R752-N754 PolarHBondContact O-N 3.18Å
755R25.4Very low25.1Very low234 Ų234169.1 Ų169.188%0.88382%0.816SS**  trans90.9128.1171.7-58.1175.9171.8-179.6-3.2112.9
756T27Very low25Very low125 Ų125168.4 Ų168.477%0.76781%0.814SS**  cis-159.5142.98.66.80000107.3N758T756-N758 PolarHBondContact O-N 3.35Å
757S23.9Very low24.8Very low109 Ų109163.4 Ų163.476%0.76281%0.809SS**  trans-50.8117.4163.147.60000110.8
758N27Very low24.5Very low166 Ų166168.3 Ų168.389%0.88881%0.814SS**  trans-146.8130.2148.4-98.8-25.4000111.4T756T756-N758 PolarHBondContact O-N 3.35Å
759K25.2Very low24.5Very low189 Ų189170.2 Ų170.282%0.82282%0.816SS**  trans-65.4153179-70.7166.8171.21710110.5
760R23.2Very low24.1Very low223 Ų223166.1 Ų166.184%0.84282%0.816SS**  trans83.7126.1137.6-91178.6-178.1-177.9-0.3120
761I25.7Very low23.8Very low144 Ų144160.2 Ų160.274%0.73880%0.804SS**  trans96.9113137-60.8159.1000118.4
762Y21Very low23.7Very low209 Ų209159.3 Ų159.382%0.8280%0.803SS**  trans1.8127.5144.3-74.8-95.7000119.4
763N24.1Very low23.5Very low141 Ų141153.2 Ų153.275%0.75480%0.795SS**  165.1137.6103.3-98.4-30.5000113.5
764K21.4Very low23.6Very low189 Ų189148.9 Ų148.982%0.82279%0.791SS**  trans34.8119.8141.8-83.9-178.3174.2-179.60122.7
765S19Very low23.5Very low108 Ų108150.6 Ų150.676%0.75580%0.799SS**  37.1115.9125.765.40000121.7
766S25Very low23.5Very low109 Ų109145.1 Ų145.176%0.76279%0.792SS**  trans-176.1116.913550.90000108.5
767V21.8Very low23.3Very low125 Ų125142.2 Ų142.276%0.75879%0.787SS**  74118.7104178.10000114.1
768E20.9Very low23.3Very low169 Ų169146.7 Ų146.779%0.7979%0.788SS**  trans49.2117.1151.9-66.4169.7171.600120.1
769N25.8Very low23.1Very low171 Ų171146.5 Ų146.591%0.91478%0.782SS**  -152.4116.2128.3-100.1-36.3000111.2
770V19Very low23.2Very low146 Ų146146.7 Ų146.789%0.88578%0.783SS**  trans-72.6131.2161.5171.50000107.4
771G21.7Very low23.1Very low59 Ų59143 Ų14361%0.60878%0.775SS**  trans169.5104.7171.400000116.1
772H24.4Very low23.1Very low179 Ų179141.3 Ų141.383%0.82978%0.776SS**  trans77.696.7148.8-61.6-56.4000120.9
773S21.8Very low23.3Very low102 Ų102137 Ų13771%0.71377%0.767SS**  19.7107.4116.761.90000117.4
774A26.6Very low23.5Very low93 Ų93139.5 Ų139.577%0.76977%0.772SS**  trans-11996.9152.400000108.4V776A774-V776 PolarHBondContact O-N 2.83Å
775L23.4Very low23.8Very low172 Ų172138.4 Ų138.490%0.90177%0.769SS**  trans-60.3114.9161.1-81.4149.2000108.3
776V26.4Very low24Very low120 Ų120138.5 Ų138.573%0.72777%0.769SS**  trans-124.794.2157.8-178.90000106.6A774 Y778A774-V776 PolarHBondContact O-N 2.83Å; V776-Y778 HydrophobicContact CG1-CD2 4.29Å; V776-Y778 HydrophobicContact CG1-CE2 4.09Å
777G21.7Very low24.1Very low64 Ų64139.3 Ų139.366%0.6677%0.77SS**  trans-70.2135171.500000110.7
778Y24.9Very low24.3Very low202 Ų202144.8 Ų144.879%0.79278%0.779SS**  trans-121.792.4151.1-86.9-81.3000107.3V776 F780V776-Y778 HydrophobicContact CG1-CD2 4.29Å; V776-Y778 HydrophobicContact CG1-CE2 4.09Å; Y778-F780 PolarHBondContact O-N 3.11Å
779H22.9Very low24.3Very low163 Ų163147.6 Ų147.676%0.75578%0.782SS**  trans-67.9113.7158.8-95.3-67.1000108
780F25.8Very low24.3Very low193 Ų193148.3 Ų148.385%0.84678%0.777SS**  trans-105.589.9149.5-100.8-85.8000107.3Y778Y778-F780 PolarHBondContact O-N 3.11Å
781Q22.1Very low24.9Very low146 Ų146151.7 Ų151.768%0.68280%0.798SS**  trans-74.7114.1158.2-80.9177.2-29.100107.4
782S26.4Very low25.1Very low107 Ų107156.3 Ų156.375%0.74881%0.808SS**  trans-111.198.3155.461.40000108F784S782-F784 PolarHBondContact O-N 3.4Å
783N23.6Very low25.1Very low119 Ų119155.1 Ų155.164%0.63681%0.807SS**  trans-60.4123169.9-70.9-39.4000110.1
784F28.7Very low25.3Very low194 Ų194158.1 Ų158.185%0.85181%0.812SS**  trans-132.696148.2-91.1-77.3000108.7S782 S786S782-F784 PolarHBondContact O-N 3.4Å; F784-S786 PolarHBondContact O-N 3.26Å
785H27.8Very low25.2Very low165 Ų165161.9 Ų161.976%0.76481%0.814SS**  trans-59.1125.6172.8-96.1-61.6000111.2
786S23Very low25.4Very low110 Ų110161.3 Ų161.377%0.76981%0.809SS**  trans-81.2118.6150.763.40000109.1F784F784-S786 PolarHBondContact O-N 3.26Å
787T28.5Very low25.3Very low126 Ų126164 Ų16477%0.77382%0.815SS**  trans-151.992.2154.432.30000109
788Y25.5Very low25.5Very low240 Ų240171.1 Ų171.194%0.94183%0.826SS**  trans-83.9121.8152.7-99-91.7000107.8
789R21.2Very low25.6Very low228 Ų228168.8 Ų168.886%0.8683%0.828SS**  trans-161.7107.7160.5-131-175.5-168.8-174.24.2110.2
790K24.3Very low25.8Very low186 Ų186169.3 Ų169.381%0.80983%0.834SS**  161.2133.9115.5-90.5-179.6174.6-178.40110.8
791T33.1Very low25.8Very low217 Ų217167.1 Ų167.1100%1.33183%0.833SS**  trans60.60169.754.10000116.8

Retrieved 791 of 791 residues in 246.3 ms (Link to these results)

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