A0A3Q0KFZ7_SCHMA Loading...

S-adenosyl-methyltransferase mraW, putative

AlphaFold DB , UniProt , Accession A0A3Q0KFZ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 379 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
1M46.3Very low57Low88 Ų8865.8 Ų65.843%0.43329%0.293SS..  0149.90-173.7-173.2-67.100107.6R3 I5 E6 F9M1-R3 PolarHBondContact O-N 3.41Å; M1-I5 HydrophobicContact CG-CB 3.96Å; M1-I5 HydrophobicContact CG-CG2 3.74Å; M1-I5 HydrophobicContact SD-CB 4.32Å; M1-I5 HydrophobicContact SD-CG2 3.68Å; M1-E6 HydrophobicContact CB-CG 3.7Å; M1-E6 HydrophobicContact CG-CG 3.82Å; M1-E6 HydrophobicContact SD-CB 4.43Å; M1-E6 HydrophobicContact SD-CG 3.62Å; M1-F9 HydrophobicContact SD-CD2 4.48Å
2N53.9Low57.6Low24 Ų2460.3 Ų60.313%0.12827%0.268CS..  trans-63.5131177.6178.8-30.5000109.5Y4 I5 E6 F322N2-Y4 PolarHBondContact O-N 3.1Å; N2-Y4 PolarHBondContact OD1-N 2.99Å; N2-Y4 VanDerWaalsContact OD1-N 3.09Å; N2-I5 HydrophobicContact CB-CB 4.39Å; N2-I5 HydrophobicContact CB-CD1 3.89Å; N2-I5 HydrophobicContact CB-CG1 3.98Å; N2-I5 WeakPolarHBondContact O-CA 3.11Å; N2-I5 WeakPolarHBondContact O-CB 3.44Å; N2-I5 PolarHBondContact O-N 3.35Å; N2-E6 PolarHBondContact O-N 2.77Å; N2-F322 WeakPolarHBondContact ND2-CE1 3.47Å; N2-F322 VanDerWaalsContact ND2-CZ 3.34Å; N2-F322 WeakPolarHBondContact ND2-CZ 3.33Å
3R52.2Low57.5Low157 Ų15759.9 Ų59.959%0.59227%0.267SS*.Hα-helixtrans-50.4-32.6-176.7-165.9173.5-174.5163.52.5113.7M1 L7M1-R3 PolarHBondContact O-N 3.41Å; R3-L7 HydrophobicContact CG-CD1 4.48Å; R3-L7 WeakPolarHBondContact O-CB 3.42Å; R3-L7 WeakPolarHBondContact O-CD1 3.48Å; R3-L7 WeakPolarHBondContact O-CG 3.34Å; R3-L7 PolarHBondContact O-N 2.73Å
4Y53Low57.9Low56 Ų5665.2 Ų65.222%0.2229%0.293CS..Hα-helixtrans-69.7-41.7174.6-179.1-100.9000112.9N2 L7 I8 F322N2-Y4 PolarHBondContact O-N 3.1Å; N2-Y4 PolarHBondContact OD1-N 2.99Å; N2-Y4 VanDerWaalsContact OD1-N 3.09Å; Y4-L7 PolarHBondContact O-N 3.16Å; Y4-I8 HydrophobicContact CD1-CD1 3.78Å; Y4-I8 HydrophobicContact CE1-CD1 3.21Å; Y4-I8 HydrophobicContact CE1-CG1 4.29Å; Y4-I8 HydrophobicContact CE2-CD1 4.35Å; Y4-I8 WeakPolarHBondContact O-CG1 3.26Å; Y4-I8 PolarHBondContact O-N 3.39Å; Y4-F322 HydrophobicContact CD1-CE2 4.18Å; Y4-F322 HydrophobicContact CD1-CZ 4.4Å
5I53.8Low58.2Low3 Ų362.7 Ų62.72%0.01529%0.287CS..Hα-helixtrans-63.2-45.7173.7-59.7177.3000109.1M1 N2 L7 I8 F9 Y200 F260M1-I5 HydrophobicContact CG-CB 3.96Å; M1-I5 HydrophobicContact CG-CG2 3.74Å; M1-I5 HydrophobicContact SD-CB 4.32Å; M1-I5 HydrophobicContact SD-CG2 3.68Å; N2-I5 HydrophobicContact CB-CB 4.39Å; N2-I5 HydrophobicContact CB-CD1 3.89Å; N2-I5 HydrophobicContact CB-CG1 3.98Å; N2-I5 WeakPolarHBondContact O-CA 3.11Å; N2-I5 WeakPolarHBondContact O-CB 3.44Å; N2-I5 PolarHBondContact O-N 3.35Å; I5-L7 VanDerWaalsContact C-N 3.31Å; I5-L7 PolarHBondContact O-N 3.28Å; I5-I8 PolarHBondContact O-N 3.25Å; I5-I8 VanDerWaalsContact O-N 3.09Å; I5-F9 HydrophobicContact CG2-CD2 3.59Å; I5-F9 HydrophobicContact CG2-CE2 3.51Å; I5-F9 VanDerWaalsContact O-CD2 3.29Å; I5-F9 WeakPolarHBondContact O-CD2 3Å; I5-F9 PolarHBondContact O-N 2.59Å; I5-Y200 WeakPolarHBondContact CD1-OH 3.27Å; I5-F260 HydrophobicContact CG1-CE2 4.24Å; I5-F260 HydrophobicContact CG2-CE2 3.98Å; I5-F260 HydrophobicContact CG2-CZ 4.42Å
6E55.9Low57.8Low75 Ų7560 Ų6035%0.3528%0.275SS..Hα-helixtrans-58.4-41.1176.5-69.6179.2-177.800112.7M1 N2 F9 K10M1-E6 HydrophobicContact CB-CG 3.7Å; M1-E6 HydrophobicContact CG-CG 3.82Å; M1-E6 HydrophobicContact SD-CB 4.43Å; M1-E6 HydrophobicContact SD-CG 3.62Å; N2-E6 PolarHBondContact O-N 2.77Å; E6-F9 PolarHBondContact O-N 3Å; E6-K10 WeakPolarHBondContact O-CB 3.42Å; E6-K10 VanDerWaalsContact O-CG 3.32Å; E6-K10 WeakPolarHBondContact O-CG 3.47Å; E6-K10 PolarHBondContact O-N 3.04Å
7L58.5Low57.6Low92 Ų9264.1 Ų64.148%0.48229%0.287SS..Hα-helixtrans-62.7-42.3174.9-81.4158.6000111.9R3 Y4 I5 K10 K11R3-L7 HydrophobicContact CG-CD1 4.48Å; R3-L7 WeakPolarHBondContact O-CB 3.42Å; R3-L7 WeakPolarHBondContact O-CD1 3.48Å; R3-L7 WeakPolarHBondContact O-CG 3.34Å; R3-L7 PolarHBondContact O-N 2.73Å; Y4-L7 PolarHBondContact O-N 3.16Å; I5-L7 VanDerWaalsContact C-N 3.31Å; I5-L7 PolarHBondContact O-N 3.28Å; L7-K10 PolarHBondContact O-N 3.07Å; L7-K11 WeakPolarHBondContact O-CG 3.18Å; L7-K11 PolarHBondContact O-N 3.05Å
8I63.1Low57.6Low2 Ų269 Ų691%0.0131%0.309CS..Hα-helixtrans-65.6-44.8176.9-74.1176000111.3Y4 I5 K10 K11 C12 L188 F260Y4-I8 HydrophobicContact CD1-CD1 3.78Å; Y4-I8 HydrophobicContact CE1-CD1 3.21Å; Y4-I8 HydrophobicContact CE1-CG1 4.29Å; Y4-I8 HydrophobicContact CE2-CD1 4.35Å; Y4-I8 WeakPolarHBondContact O-CG1 3.26Å; Y4-I8 PolarHBondContact O-N 3.39Å; I5-I8 PolarHBondContact O-N 3.25Å; I5-I8 VanDerWaalsContact O-N 3.09Å; I8-K10 VanDerWaalsContact C-N 3.33Å; I8-K10 PolarHBondContact O-N 3.37Å; I8-K11 WeakPolarHBondContact O-CB 3.48Å; I8-K11 PolarHBondContact O-N 3.32Å; I8-C12 PolarHBondContact O-N 3.25Å; I8-C12 PolarHBondContact O-SG 3.47Å; I8-L188 HydrophobicContact CD1-CD1 4.47Å; I8-L188 HydrophobicContact CG2-CD1 3.54Å; I8-L188 HydrophobicContact CG2-CD2 3.68Å; I8-L188 HydrophobicContact CG2-CG 4.21Å; I8-F260 HydrophobicContact CB-CZ 4.17Å; I8-F260 HydrophobicContact CD1-CZ 4.49Å; I8-F260 HydrophobicContact CG2-CE1 4.03Å; I8-F260 HydrophobicContact CG2-CE2 4.47Å; I8-F260 HydrophobicContact CG2-CZ 3.45Å; I8-F260 VanDerWaalsContact CG2-CZ 3.45Å
9F59.3Low58Low18 Ų1869.4 Ų69.48%0.07931%0.308CS..Hα-helixtrans-59.8-45.2176.3-89.4-111000110.5M1 I5 E6 K11 C12 E13 T178 P179 F260 I261M1-F9 HydrophobicContact SD-CD2 4.48Å; I5-F9 HydrophobicContact CG2-CD2 3.59Å; I5-F9 HydrophobicContact CG2-CE2 3.51Å; I5-F9 VanDerWaalsContact O-CD2 3.29Å; I5-F9 WeakPolarHBondContact O-CD2 3Å; I5-F9 PolarHBondContact O-N 2.59Å; E6-F9 PolarHBondContact O-N 3Å; F9-K11 PolarHBondContact O-N 2.98Å; F9-C12 CarbonylContact O-C 3.47Å; F9-C12 WeakPolarHBondContact O-CB 3.37Å; F9-C12 PolarHBondContact O-N 3.35Å; F9-C12 VanDerWaalsContact O-N 3.1Å; F9-E13 WeakPolarHBondContact O-CG 3.34Å; F9-E13 PolarHBondContact O-N 3.24Å; F9-T178 HydrophobicContact CE1-CG2 4.4Å; F9-P179 VanDerWaalsContact CD1-CD 3.43Å; F9-P179 HydrophobicContact CD1-CG 3.57Å; F9-P179 HydrophobicContact CE1-CG 3.7Å; F9-P179 HydrophobicContact CG-CG 4.15Å; F9-P179 HydrophobicContact CZ-CG 4.36Å; F9-F260 HydrophobicContact CD2-CZ 4.05Å; F9-F260 AromaticContact CE2-CE1 3.98Å; F9-F260 HydrophobicContact CE2-CE1 3.98Å; F9-F260 HydrophobicContact CE2-CE2 4.25Å; F9-F260 AromaticContact CE2-CZ 3.72Å; F9-F260 HydrophobicContact CE2-CZ 3.72Å; F9-I261 WeakPolarHBondContact CZ-O 3.48Å
10K61.5Low57.9Low116 Ų11670.4 Ų70.450%0.50431%0.314SS..Hα-helixtrans-59.6-41174.5-77.4176.1179.5176.40113.4E6 L7 I8 C12 E13 Q14E6-K10 WeakPolarHBondContact O-CB 3.42Å; E6-K10 VanDerWaalsContact O-CG 3.32Å; E6-K10 WeakPolarHBondContact O-CG 3.47Å; E6-K10 PolarHBondContact O-N 3.04Å; L7-K10 PolarHBondContact O-N 3.07Å; I8-K10 VanDerWaalsContact C-N 3.33Å; I8-K10 PolarHBondContact O-N 3.37Å; K10-C12 VanDerWaalsContact C-N 3.32Å; K10-C12 PolarHBondContact O-N 3.46Å; K10-E13 PolarHBondContact O-N 3.16Å; K10-Q14 WeakPolarHBondContact O-CB 3.29Å; K10-Q14 VanDerWaalsContact O-CG 3.27Å; K10-Q14 WeakPolarHBondContact O-CG 3Å; K10-Q14 PolarHBondContact O-N 3.24Å
11K69.6Low57.9Low93 Ų9374.2 Ų74.240%0.40434%0.337SS..Hα-helixtrans-60.6-43.1173.8-75.3-179.7-179.2-174.90111.4L7 I8 F9 Q14 S15 E192L7-K11 WeakPolarHBondContact O-CG 3.18Å; L7-K11 PolarHBondContact O-N 3.05Å; I8-K11 WeakPolarHBondContact O-CB 3.48Å; I8-K11 PolarHBondContact O-N 3.32Å; F9-K11 PolarHBondContact O-N 2.98Å; K11-Q14 PolarHBondContact O-N 2.94Å; K11-S15 WeakPolarHBondContact O-CB 3.45Å; K11-S15 PolarHBondContact O-N 2.82Å; K11-E192 IonicContact NZ-OE1 3.98Å; K11-E192 PolarHBondContact NZ-OE1 3.01Å
12C63.6Low58.1Low0 Ų073.9 Ų73.90%034%0.343CS..Hα-helixtrans-66.6-45.1177.6-59.90000111.4I8 F9 K10 Q14 S15 I16 P179I8-C12 PolarHBondContact O-N 3.25Å; I8-C12 PolarHBondContact O-SG 3.47Å; F9-C12 CarbonylContact O-C 3.47Å; F9-C12 WeakPolarHBondContact O-CB 3.37Å; F9-C12 PolarHBondContact O-N 3.35Å; F9-C12 VanDerWaalsContact O-N 3.1Å; K10-C12 VanDerWaalsContact C-N 3.32Å; K10-C12 PolarHBondContact O-N 3.46Å; C12-Q14 VanDerWaalsContact C-N 3.35Å; C12-Q14 PolarHBondContact O-N 2.57Å; C12-S15 WeakPolarHBondContact O-CB 3.39Å; C12-S15 PolarHBondContact O-N 2.88Å; C12-I16 WeakPolarHBondContact O-CD1 3.11Å; C12-I16 VanDerWaalsContact O-CG1 3.22Å; C12-I16 WeakPolarHBondContact O-CG1 3.41Å; C12-I16 PolarHBondContact O-N 3.05Å; C12-P179 HydrophobicContact CB-CB 3.55Å; C12-P179 HydrophobicContact CB-CG 4.03Å
13E56.3Low57.6Low55 Ų5576.2 Ų76.226%0.25736%0.361SS..Hα-helixtrans-55.9-45.7174.4-78.8173.2-168.800112.3F9 K10 I16 R17 D177F9-E13 WeakPolarHBondContact O-CG 3.34Å; F9-E13 PolarHBondContact O-N 3.24Å; K10-E13 PolarHBondContact O-N 3.16Å; E13-I16 PolarHBondContact O-N 2.88Å; E13-R17 WeakPolarHBondContact O-CB 2.91Å; E13-R17 WeakPolarHBondContact O-CG 3.4Å; E13-R17 PolarHBondContact O-N 3.35Å; E13-D177 HydrophobicContact CG-CB 4.35Å; E13-D177 WeakPolarHBondContact CG-O 3.4Å
14Q63.8Low56.8Low134 Ų13474.1 Ų74.163%0.62637%0.371SS*.Hα-helixtrans-63.2-43177.2-74174.3-7.600111.9K10 K11 C12 R17 F18K10-Q14 WeakPolarHBondContact O-CB 3.29Å; K10-Q14 VanDerWaalsContact O-CG 3.27Å; K10-Q14 WeakPolarHBondContact O-CG 3Å; K10-Q14 PolarHBondContact O-N 3.24Å; K11-Q14 PolarHBondContact O-N 2.94Å; C12-Q14 VanDerWaalsContact C-N 3.35Å; C12-Q14 PolarHBondContact O-N 2.57Å; Q14-R17 PolarHBondContact O-N 3.28Å; Q14-F18 WeakPolarHBondContact O-CB 3.47Å; Q14-F18 PolarHBondContact O-N 3.24Å
15S62.3Low55.9Low28 Ų2877 Ų7720%0.19640%0.399CS..Hα-helixtrans-61.7-45175.5-179.60000111.7K11 C12 F18 R19 T187K11-S15 WeakPolarHBondContact O-CB 3.45Å; K11-S15 PolarHBondContact O-N 2.82Å; C12-S15 WeakPolarHBondContact O-CB 3.39Å; C12-S15 PolarHBondContact O-N 2.88Å; S15-F18 PolarHBondContact O-N 2.96Å; S15-R19 WeakPolarHBondContact O-CG 3.44Å; S15-R19 PolarHBondContact O-N 2.63Å; S15-R19 PolarHBondContact OG-NH2 3.11Å; S15-T187 PolarHBondContact OG-OG1 3.21Å; S15-T187 VanDerWaalsContact OG-OG1 3.07Å
16I51.4Low54.7Low19 Ų1982.5 Ų82.510%0.09744%0.438CS..Hα-helixtrans-60.3-47.9175.9-67.8161.6000110.6C12 E13 F18 R19 M20 P179 D183C12-I16 WeakPolarHBondContact O-CD1 3.11Å; C12-I16 VanDerWaalsContact O-CG1 3.22Å; C12-I16 WeakPolarHBondContact O-CG1 3.41Å; C12-I16 PolarHBondContact O-N 3.05Å; E13-I16 PolarHBondContact O-N 2.88Å; I16-F18 VanDerWaalsContact C-N 3.34Å; I16-F18 PolarHBondContact O-N 3.06Å; I16-R19 PolarHBondContact O-N 2.76Å; I16-M20 HydrophobicContact CG2-CE 4.37Å; I16-M20 WeakPolarHBondContact O-CG 3.26Å; I16-M20 PolarHBondContact O-N 2.79Å; I16-P179 HydrophobicContact CD1-CB 4.13Å; I16-D183 HydrophobicContact CD1-CB 3.91Å; I16-D183 VanDerWaalsContact CD1-CG 3.49Å; I16-D183 WeakPolarHBondContact CD1-OD2 3.26Å; I16-D183 HydrophobicContact CG1-CB 4.08Å; I16-D183 VanDerWaalsContact CG1-CG 3.47Å; I16-D183 WeakPolarHBondContact CG1-OD1 3.43Å
17R54.8Low53.5Low129 Ų12984.4 Ų84.449%0.48746%0.46SS..Hα-helixtrans-61.4-42.5178.4-74.5178.8-176.1-178.53.8111.9E13 Q14 M20 L21 D177E13-R17 WeakPolarHBondContact O-CB 2.91Å; E13-R17 WeakPolarHBondContact O-CG 3.4Å; E13-R17 PolarHBondContact O-N 3.35Å; Q14-R17 PolarHBondContact O-N 3.28Å; R17-M20 PolarHBondContact O-N 3.11Å; R17-L21 WeakPolarHBondContact O-CG 3.38Å; R17-L21 PolarHBondContact O-N 3.44Å; R17-D177 IonicContact CZ-OD1 3.73Å; R17-D177 IonicContact NE-OD1 2.96Å; R17-D177 IonicContact NH2-OD1 3.57Å; R17-D177 PolarHBondContact NH2-OD1 3.4Å
18F57.7Low52.1Low153 Ų15388.1 Ų88.167%0.67147%0.472SS*.Hα-helixtrans-62.2-45.1176.3-175.3-96.6000111.6Q14 S15 I16 M20 L21 S22Q14-F18 WeakPolarHBondContact O-CB 3.47Å; Q14-F18 PolarHBondContact O-N 3.24Å; S15-F18 PolarHBondContact O-N 2.96Å; I16-F18 VanDerWaalsContact C-N 3.34Å; I16-F18 PolarHBondContact O-N 3.06Å; F18-M20 PolarHBondContact O-N 2.85Å; F18-L21 PolarHBondContact O-N 2.88Å; F18-S22 PolarHBondContact O-N 3.27Å; F18-S22 VanDerWaalsContact O-N 3.07Å; F18-S22 PolarHBondContact O-OG 3Å
19R64.1Low50.3Low77 Ų7793.8 Ų93.829%0.29151%0.507SS..Hα-helixtrans-58.7-48.7175.2-70.4-179.8-156165.97111.2S15 I16 L21 S22 S23 D183 T187S15-R19 WeakPolarHBondContact O-CG 3.44Å; S15-R19 PolarHBondContact O-N 2.63Å; S15-R19 PolarHBondContact OG-NH2 3.11Å; I16-R19 PolarHBondContact O-N 2.76Å; R19-L21 VanDerWaalsContact C-N 3.26Å; R19-L21 PolarHBondContact O-N 3.36Å; R19-S22 WeakPolarHBondContact CA-OG 3.24Å; R19-S22 PolarHBondContact O-N 2.78Å; R19-S22 PolarHBondContact O-OG 3.3Å; R19-S23 PolarHBondContact O-N 3.18Å; R19-S23 PolarHBondContact O-OG 3.37Å; R19-D183 IonicContact NH1-OD1 3.65Å; R19-D183 PolarHBondContact NH1-OD1 2.95Å; R19-T187 PolarHBondContact NH2-OG1 3.39Å
20M56.4Low48.9Very low88 Ų88100 Ų10043%0.43353%0.53SS..Hα-helixtrans-60-32.6178.3-73.5-154.5-67.500113.7I16 R17 F18 K176I16-M20 HydrophobicContact CG2-CE 4.37Å; I16-M20 WeakPolarHBondContact O-CG 3.26Å; I16-M20 PolarHBondContact O-N 2.79Å; R17-M20 PolarHBondContact O-N 3.11Å; F18-M20 PolarHBondContact O-N 2.85Å; M20-K176 HydrophobicContact CE-CD 4.17Å; M20-K176 HydrophobicContact SD-CD 3.91Å
21L58.4Low47.2Very low151 Ų15199.9 Ų99.979%0.79155%0.545SS*.Hα-helixtrans-74-28.6174.5-70.1169.6000112.6R17 F18 R19R17-L21 WeakPolarHBondContact O-CG 3.38Å; R17-L21 PolarHBondContact O-N 3.44Å; F18-L21 PolarHBondContact O-N 2.88Å; R19-L21 VanDerWaalsContact C-N 3.26Å; R19-L21 PolarHBondContact O-N 3.36Å
22S50.1Low45.3Very low81 Ų81101.2 Ų101.257%0.56657%0.565SS**Hα-helixtrans-86.1-25179.767.20000114.2F18 R19F18-S22 PolarHBondContact O-N 3.27Å; F18-S22 VanDerWaalsContact O-N 3.07Å; F18-S22 PolarHBondContact O-OG 3Å; R19-S22 WeakPolarHBondContact CA-OG 3.24Å; R19-S22 PolarHBondContact O-N 2.78Å; R19-S22 PolarHBondContact O-OG 3.3Å
23S43.9Very low43.7Very low73 Ų73106.1 Ų106.151%0.5160%0.6SS.*  trans-101.797.5-178.350.60000112.1R19 S25R19-S23 PolarHBondContact O-N 3.18Å; R19-S23 PolarHBondContact O-OG 3.37Å; S23-S25 PolarHBondContact O-N 2.8Å
24S35.2Very low42.3Very low113 Ų113109.5 Ų109.579%0.7963%0.63SS**  trans-63.7111.6161.3-45.40000109.3
25S33.4Very low40.9Very low118 Ų118107.3 Ų107.383%0.82563%0.629SS**  trans66.695157.9-45.40000117.5S23S23-S25 PolarHBondContact O-N 2.8Å
26S30.2Very low39.8Very low118 Ų118111.6 Ų111.683%0.82566%0.659SS**  trans-149.8112.1140.264.90000110.4
27S29.1Very low39.6Very low115 Ų115114.6 Ų114.680%0.80467%0.674SS**  trans-86.7110.7173.948.60000108.8
28F29.4Very low39.2Very low169 Ų169113 Ų11374%0.74168%0.68SS**PPolyproline II helixtrans-81.1116.8172.5-150.6-96.8000108.8
29V26.7Very low39.1Very low122 Ų122111.5 Ų111.574%0.73969%0.686SS**PPolyproline II helixtrans-93.2118.8179.2-179.70000108.4S31V29-S31 PolarHBondContact O-N 3.37Å
30Y28.1Very low39.3Very low147 Ų147110.3 Ų110.358%0.57668%0.684SS**PPolyproline II helixtrans-72.4118.8172.4-73.5-90.7000109.6
31S27.3Very low40.6Very low115 Ų115110 Ų11080%0.80468%0.683SS**PPolyproline II helixtrans-87.2116.416653.80000109.4V29 S33V29-S31 PolarHBondContact O-N 3.37Å; S31-S33 PolarHBondContact O-N 3.12Å
32S29Very low42.2Very low120 Ų120103.2 Ų103.284%0.83965%0.648SS**  trans-79.9102.2172.753.30000109.4
33S29.4Very low44.3Very low104 Ų10499.5 Ų99.573%0.72762%0.622SS**  trans-82.3112.8166.155.90000109.4S31 S35S31-S33 PolarHBondContact O-N 3.12Å; S33-S35 VanDerWaalsContact C-N 3.35Å; S33-S35 PolarHBondContact O-N 3.15Å
34S28.4Very low46.8Very low126 Ų12696.1 Ų96.188%0.88160%0.598SS**  trans-76.482.3171.757.30000110.1
35S34.3Very low49.7Very low88 Ų8893.8 Ų93.862%0.61557%0.574SS**  trans-80132.6161.941.40000108.6S33 I37S33-S35 VanDerWaalsContact C-N 3.35Å; S33-S35 PolarHBondContact O-N 3.15Å; S35-I37 PolarHBondContact O-N 2.79Å
36S38.1Very low52.7Low118 Ų11892.1 Ų92.183%0.82556%0.562SS**  trans-62.698.817254.10000108.7P38S36-P38 WeakPolarHBondContact O-CD 3.39Å
37I47Very low55.9Low81 Ų8188.9 Ų88.942%0.41553%0.534SS..PPolyproline II helixtrans-63.7119.5-179.8-64.8151.1000107.5S35 L147S35-I37 PolarHBondContact O-N 2.79Å; I37-L147 HydrophobicContact CD1-CD1 3.39Å; I37-L147 HydrophobicContact CG1-CD1 4.41Å
38P47.7Very low59.2Low95 Ų9583.5 Ų83.562%0.61750%0.496SS*.PPolyproline II helixtrans-57.9143.6175.622.3-30.1000109.5S36 H40S36-P38 WeakPolarHBondContact O-CD 3.39Å; P38-H40 PolarHBondContact O-N 3.34Å; P38-H40 VanDerWaalsContact O-N 3.1Å
39P54.7Low62.5Low122 Ų12276.4 Ų76.479%0.79247%0.465SS*.PPolyproline II helixtrans-56.8121.2-17620.7-30.6000110.2I41P39-I41 PolarHBondContact O-N 3.11Å
40H68.1Low65.9Low53 Ų5377 Ų7725%0.24546%0.458CS..PPolyproline II helixtrans-64.1124.6177.3-177.2-107.7000109.9P38 P42 S146P38-H40 PolarHBondContact O-N 3.34Å; P38-H40 VanDerWaalsContact O-N 3.1Å; H40-P42 WeakPolarHBondContact O-CD 3.32Å; H40-S146 WeakPolarHBondContact CD2-CB 3.46Å; H40-S146 PolarHBondContact CD2-OG 3.03Å; H40-S146 PolarHBondContact NE2-OG 2.97Å
41I83.8Confident69.2Low82 Ų8273.1 Ų73.142%0.42144%0.443SS..  trans-89.3113.6174.3-57175.4000107.5P39 N365P39-I41 PolarHBondContact O-N 3.11Å; I41-N365 PolarHBondContact O-ND2 3.32Å
42P91.8Very high72.5Confident7 Ų768 Ų685%0.04541%0.406CS..  trans-64.6137.9178.123.4-29.6000111.1H40 K45 H70 E73H40-P42 WeakPolarHBondContact O-CD 3.32Å; P42-K45 HydrophobicContact CB-CB 4.26Å; P42-K45 HydrophobicContact CG-CB 3.97Å; P42-K45 HydrophobicContact CG-CD 3.68Å; P42-K45 HydrophobicContact CG-CG 4.46Å; P42-H70 VanDerWaalsContact CB-CE1 3.48Å; P42-H70 WeakPolarHBondContact CB-CE1 3.44Å; P42-E73 HydrophobicContact CG-CG 3.96Å
43I95Very high75.8Confident4 Ų467.2 Ų67.22%0.02139%0.39CS..THydrogen-bonded Turntrans-78.6129.8-169.7-68.8166.6000110.5K45 H70 L288 F290 P357 E361 A371I43-K45 PolarHBondContact O-N 3.18Å; I43-K45 VanDerWaalsContact O-N 3.14Å; I43-H70 PolarHBondContact O-CE1 3.23Å; I43-L288 HydrophobicContact CB-CD1 4.45Å; I43-L288 HydrophobicContact CG2-CD2 4.14Å; I43-F290 HydrophobicContact CD1-CE1 3.59Å; I43-F290 HydrophobicContact CD1-CZ 3.73Å; I43-P357 HydrophobicContact CG2-CG 4.23Å; I43-E361 WeakPolarHBondContact CA-OE1 3.33Å; I43-A371 HydrophobicContact CG2-CB 3.69Å
44M96.4Very high79.1Confident2 Ų262.6 Ų62.61%0.0136%0.357CS..THydrogen-bonded Turntrans54.133.5179.3-55.8-178.97900113.4S46 E47 I48 L288 I355 T356 P357 E361 L373M44-S46 PolarHBondContact O-N 3.29Å; M44-E47 WeakPolarHBondContact CA-OE2 3.32Å; M44-E47 HydrophobicContact CB-CB 4.3Å; M44-E47 HydrophobicContact CB-CG 4.45Å; M44-E47 HydrophobicContact CE-CG 4.06Å; M44-E47 PolarHBondContact O-N 3.12Å; M44-I48 WeakPolarHBondContact O-CG1 3.06Å; M44-I48 PolarHBondContact O-N 2.93Å; M44-I48 VanDerWaalsContact O-N 3.07Å; M44-L288 HydrophobicContact SD-CD2 4.27Å; M44-I355 HydrophobicContact CE-CB 4.05Å; M44-I355 HydrophobicContact CE-CD1 3.69Å; M44-I355 HydrophobicContact CE-CG1 3.64Å; M44-T356 WeakPolarHBondContact CE-O 3.45Å; M44-P357 HydrophobicContact CG-CB 4.43Å; M44-P357 HydrophobicContact CG-CG 3.93Å; M44-P357 HydrophobicContact SD-CG 3.9Å; M44-E361 PolarHBondContact N-OE1 2.97Å; M44-L373 HydrophobicContact CB-CD2 3.93Å; M44-L373 HydrophobicContact CE-CB 3.97Å; M44-L373 HydrophobicContact CE-CD2 4.07Å; M44-L373 HydrophobicContact SD-CB 3.57Å; M44-L373 VanDerWaalsContact SD-CB 3.57Å; M44-L373 HydrophobicContact SD-CD2 4.25Å
45K95.9Very high82.3Confident64 Ų6462.5 Ų62.528%0.27834%0.341SS..Hα-helixtrans-58.1-37.7-178.670.7-170-165.6164.50112.4P42 I43 I48 I49 E73P42-K45 HydrophobicContact CB-CB 4.26Å; P42-K45 HydrophobicContact CG-CB 3.97Å; P42-K45 HydrophobicContact CG-CD 3.68Å; P42-K45 HydrophobicContact CG-CG 4.46Å; I43-K45 PolarHBondContact O-N 3.18Å; I43-K45 VanDerWaalsContact O-N 3.14Å; K45-I48 PolarHBondContact O-N 2.84Å; K45-I49 WeakPolarHBondContact O-CG1 3.3Å; K45-I49 PolarHBondContact O-N 3.3Å; K45-I49 VanDerWaalsContact O-N 3.07Å; K45-E73 HydrophobicContact CB-CG 4.22Å; K45-E73 HydrophobicContact CD-CG 3.98Å; K45-E73 IonicContact NZ-OE1 3.44Å; K45-E73 PolarHBondContact NZ-OE1 2.64Å
46S96.4Very high85.3Confident82 Ų8262.5 Ų62.557%0.57334%0.339SS*.Hα-helixtrans-66.2-41.5-179.2-60.90000111.2M44 K50M44-S46 PolarHBondContact O-N 3.29Å; S46-K50 WeakPolarHBondContact O-CB 3.34Å; S46-K50 PolarHBondContact O-N 2.86Å
47E97.9Very high88Confident51 Ų5159.2 Ų59.224%0.23832%0.324CS..Hα-helixtrans-65.3-46177.2-6872-167.200110.4M44 I49 K50 Y51 I355 L373M44-E47 WeakPolarHBondContact CA-OE2 3.32Å; M44-E47 HydrophobicContact CB-CB 4.3Å; M44-E47 HydrophobicContact CB-CG 4.45Å; M44-E47 HydrophobicContact CE-CG 4.06Å; M44-E47 PolarHBondContact O-N 3.12Å; E47-I49 VanDerWaalsContact C-N 3.35Å; E47-I49 PolarHBondContact O-N 2.91Å; E47-K50 PolarHBondContact O-N 3.27Å; E47-Y51 HydrophobicContact CB-CD2 4.37Å; E47-Y51 HydrophobicContact CB-CE2 4.41Å; E47-Y51 WeakPolarHBondContact O-CD2 3.42Å; E47-Y51 PolarHBondContact O-N 3.28Å; E47-I355 HydrophobicContact CB-CD1 4.13Å; E47-I355 HydrophobicContact CG-CD1 4.03Å; E47-L373 HydrophobicContact CB-CD2 3.74Å
48I98.2Very high90.4Very high1 Ų157.2 Ų57.21%0.00531%0.313CS..Hα-helixtrans-56.8-50.9177.4-68168.7000110M44 K45 K50 Y51 T52 H70 L139 V286 L288 L373M44-I48 WeakPolarHBondContact O-CG1 3.06Å; M44-I48 PolarHBondContact O-N 2.93Å; M44-I48 VanDerWaalsContact O-N 3.07Å; K45-I48 PolarHBondContact O-N 2.84Å; I48-K50 PolarHBondContact O-N 3.03Å; I48-Y51 PolarHBondContact O-N 3.14Å; I48-T52 WeakPolarHBondContact O-CB 3.47Å; I48-T52 WeakPolarHBondContact O-CG2 3.39Å; I48-T52 PolarHBondContact O-N 2.88Å; I48-T52 PolarHBondContact O-OG1 3.33Å; I48-H70 VanDerWaalsContact CD1-CE1 3.41Å; I48-H70 WeakPolarHBondContact CD1-CE1 3.46Å; I48-L139 HydrophobicContact CD1-CD1 4.08Å; I48-L139 HydrophobicContact CG2-CD1 4.35Å; I48-V286 HydrophobicContact CD1-CG1 3.94Å; I48-V286 HydrophobicContact CG1-CG1 3.83Å; I48-V286 HydrophobicContact CG2-CG1 4.32Å; I48-V286 HydrophobicContact CG2-CG2 4.43Å; I48-L288 HydrophobicContact CD1-CD1 4.18Å; I48-L373 HydrophobicContact CG1-CD1 4.11Å; I48-L373 HydrophobicContact CG1-CD2 3.93Å
49I98.1Very high92.8Very high20 Ų2053.9 Ų53.910%0.10329%0.291CS..Hα-helixtrans-61.5-45.5177.5-67.5-56.7000111.6K45 E47 Y51 Q53 P54 I74 Y77K45-I49 WeakPolarHBondContact O-CG1 3.3Å; K45-I49 PolarHBondContact O-N 3.3Å; K45-I49 VanDerWaalsContact O-N 3.07Å; E47-I49 VanDerWaalsContact C-N 3.35Å; E47-I49 PolarHBondContact O-N 2.91Å; I49-Y51 VanDerWaalsContact C-N 3.34Å; I49-Y51 PolarHBondContact O-N 3.39Å; I49-Q53 WeakPolarHBondContact O-CA 3.23Å; I49-Q53 PolarHBondContact O-N 3.25Å; I49-P54 HydrophobicContact CD1-CG 4.18Å; I49-I74 HydrophobicContact CD1-CG1 4.06Å; I49-Y77 HydrophobicContact CD1-CD1 4.4Å; I49-Y77 HydrophobicContact CD1-CG 4.06Å; I49-Y77 HydrophobicContact CG2-CD1 3.97Å; I49-Y77 HydrophobicContact CG2-CD2 3.23Å; I49-Y77 HydrophobicContact CG2-CE1 4.05Å; I49-Y77 HydrophobicContact CG2-CE2 3.3Å; I49-Y77 HydrophobicContact CG2-CG 3.56Å
50K97.7Very high94.9Very high134 Ų13448.2 Ų48.258%0.58325%0.254SS*.Hα-helixtrans-56.7-44.3-179.8175.8-175.7176.6-176.30112.6S46 E47 I48 Q53S46-K50 WeakPolarHBondContact O-CB 3.34Å; S46-K50 PolarHBondContact O-N 2.86Å; E47-K50 PolarHBondContact O-N 3.27Å; I48-K50 PolarHBondContact O-N 3.03Å; K50-Q53 WeakPolarHBondContact O-CG 3.34Å
51Y97.9Very high96.3Very high66 Ų6645.7 Ų45.726%0.25924%0.242SC..Hα-helixtrans-88.5-30.3-173.5-72.7-67.4000114E47 I48 I49 Y284 V351 I352 I355 I375E47-Y51 HydrophobicContact CB-CD2 4.37Å; E47-Y51 HydrophobicContact CB-CE2 4.41Å; E47-Y51 WeakPolarHBondContact O-CD2 3.42Å; E47-Y51 PolarHBondContact O-N 3.28Å; I48-Y51 PolarHBondContact O-N 3.14Å; I49-Y51 VanDerWaalsContact C-N 3.34Å; I49-Y51 PolarHBondContact O-N 3.39Å; Y51-Y284 VanDerWaalsContact O-CE1 3.3Å; Y51-Y284 WeakPolarHBondContact O-CE1 3.16Å; Y51-Y284 VanDerWaalsContact O-CZ 3.32Å; Y51-Y284 PolarHBondContact O-OH 3.1Å; Y51-V351 HydrophobicContact CD1-CG1 4.13Å; Y51-I352 HydrophobicContact CD1-CG2 4.24Å; Y51-I352 HydrophobicContact CD2-CG2 3.83Å; Y51-I352 HydrophobicContact CE1-CB 4.24Å; Y51-I352 HydrophobicContact CE1-CG1 4.43Å; Y51-I352 HydrophobicContact CE1-CG2 4.34Å; Y51-I352 HydrophobicContact CE2-CB 4.39Å; Y51-I352 HydrophobicContact CE2-CG1 4.16Å; Y51-I352 HydrophobicContact CE2-CG2 3.97Å; Y51-I352 HydrophobicContact CG-CG2 4Å; Y51-I355 HydrophobicContact CE2-CD1 4.12Å; Y51-I375 HydrophobicContact CD2-CD1 4.15Å; Y51-I375 HydrophobicContact CG-CD1 4.26Å
52T97.8Very high97Very high7 Ų741.9 Ų41.94%0.04322%0.222CC..Hα-helixtrans-93.4-28.1-177.662.30000113.1I48 P54 L137 Y284 V286 I375I48-T52 WeakPolarHBondContact O-CB 3.47Å; I48-T52 WeakPolarHBondContact O-CG2 3.39Å; I48-T52 PolarHBondContact O-N 2.88Å; I48-T52 PolarHBondContact O-OG1 3.33Å; T52-P54 WeakPolarHBondContact OG1-CD 3.37Å; T52-L137 HydrophobicContact CG2-CD1 3.82Å; T52-Y284 HydrophobicContact CG2-CD1 4.07Å; T52-Y284 HydrophobicContact CG2-CG 4.06Å; T52-V286 HydrophobicContact CG2-CG2 3.58Å; T52-I375 HydrophobicContact CG2-CD1 4.46Å; T52-I375 HydrophobicContact CG2-CG2 4.35Å
53Q97.7Very high97.3Very high104 Ų10441.6 Ų41.649%0.48622%0.22SC..  trans40.462.5-177.5-60.1179.3-0.300112.6I49 K50 K55I49-Q53 WeakPolarHBondContact O-CA 3.23Å; I49-Q53 PolarHBondContact O-N 3.25Å; K50-Q53 WeakPolarHBondContact O-CG 3.34Å; Q53-K55 VanDerWaalsContact O-CG 3.29Å; Q53-K55 WeakPolarHBondContact O-CG 3.38Å
54P97.3Very high97.4Very high7 Ų742.7 Ų42.75%0.04523%0.227CC..  trans-56.1141.1-177.8-23.135.1000111.3I49 T52 I74 Y77 A78 L137I49-P54 HydrophobicContact CD1-CG 4.18Å; T52-P54 WeakPolarHBondContact OG1-CD 3.37Å; P54-I74 HydrophobicContact CB-CG2 4.03Å; P54-I74 HydrophobicContact CG-CG1 4.33Å; P54-I74 HydrophobicContact CG-CG2 4.14Å; P54-Y77 HydrophobicContact CB-CD1 4.5Å; P54-Y77 HydrophobicContact CG-CD1 4.5Å; P54-Y77 WeakPolarHBondContact O-CD1 3.04Å; P54-Y77 WeakPolarHBondContact O-CE1 3.35Å; P54-A78 HydrophobicContact CB-CB 3.98Å; P54-L137 HydrophobicContact CG-CD2 4.07Å
55K97.2Very high97.4Very high124 Ų12442.9 Ų42.954%0.53923%0.228SC..  trans-122.6156-171.9-57.9-172.4-179.4179.60111.6Q53 Q58 L82Q53-K55 VanDerWaalsContact O-CG 3.29Å; Q53-K55 WeakPolarHBondContact O-CG 3.38Å; K55-Q58 HydrophobicContact CB-CG 4.09Å; K55-Q58 WeakPolarHBondContact O-CB 3.29Å; K55-Q58 WeakPolarHBondContact O-CG 3.47Å; K55-Q58 PolarHBondContact O-N 3.44Å; K55-L82 VanDerWaalsContact O-CD2 3.23Å; K55-L82 WeakPolarHBondContact O-CD2 3.18Å
56P96.7Very high97.3Very high88 Ų8840.1 Ų40.157%0.57122%0.218SC*.THydrogen-bonded Turntrans-52.8145.4171.7-21.928.6000112.1Q58 A78 D80P56-Q58 PolarHBondContact O-N 2.83Å; P56-A78 WeakPolarHBondContact CD-O 3.13Å; P56-A78 WeakPolarHBondContact CG-O 3.06Å; P56-D80 WeakPolarHBondContact CA-O 3.36Å; P56-D80 WeakPolarHBondContact CB-O 3.26Å
57G95.3Very high97.2Very high50 Ų5038 Ų3852%0.51520%0.201SC..THydrogen-bonded Turntrans76.9-2176.200000115.8N81G57-N81 WeakPolarHBondContact CA-O 3.43Å
58Q97.4Very high97Very high39 Ų3935.7 Ų35.718%0.18219%0.191CC..  trans-74.6159.6177.8-71.9-167.7-48.300113.2K55 P56 L82 T83 D136K55-Q58 HydrophobicContact CB-CG 4.09Å; K55-Q58 WeakPolarHBondContact O-CB 3.29Å; K55-Q58 WeakPolarHBondContact O-CG 3.47Å; K55-Q58 PolarHBondContact O-N 3.44Å; P56-Q58 PolarHBondContact O-N 2.83Å; Q58-L82 HydrophobicContact CB-CD2 3.98Å; Q58-T83 PolarHBondContact O-N 2.87Å; Q58-D136 WeakPolarHBondContact CA-OD2 3.38Å; Q58-D136 HydrophobicContact CB-CB 3.82Å; Q58-D136 HydrophobicContact CG-CB 4.01Å; Q58-D136 VanDerWaalsContact CG-CG 3.5Å; Q58-D136 WeakPolarHBondContact CG-OD1 3.31Å; Q58-D136 PolarHBondContact NE2-OD1 3.34Å
59V97.8Very high96.8Very high24 Ų2436.3 Ų36.315%0.14520%0.198CC..EExtended strand (participates in β ladder)trans-100.1119.1172.9-176.40000110T83 Y85 L130 V135 D136 L137V59-T83 CarbonylContact C-O 3.48Å; V59-T83 WeakPolarHBondContact CA-O 3.28Å; V59-Y85 HydrophobicContact CG1-CD2 4.24Å; V59-Y85 HydrophobicContact CG1-CE2 3.92Å; V59-L130 HydrophobicContact CG1-CD1 3.96Å; V59-V135 HydrophobicContact CG1-CB 4.48Å; V59-V135 HydrophobicContact CG1-CG1 4.43Å; V59-V135 HydrophobicContact CG1-CG2 4.12Å; V59-D136 PolarHBondContact N-OD2 2.95Å; V59-D136 WeakPolarHBondContact O-CB 3.44Å; V59-D136 PolarHBondContact O-N 3.49Å; V59-L137 PolarHBondContact O-N 3.46Å
60Y97.8Very high96.8Very high4 Ų435.9 Ų35.92%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-113.6134.9180173.5-128.9000110.6D62 A71 I74 T83 C84 Y85 F86 L137 L139Y60-D62 HydrophobicContact CE1-CB 3.79Å; Y60-D62 HydrophobicContact CE2-CB 4.45Å; Y60-D62 VanDerWaalsContact OH-CB 3.32Å; Y60-D62 WeakPolarHBondContact OH-CB 3.32Å; Y60-D62 PolarHBondContact OH-OD2 2.84Å; Y60-A71 HydrophobicContact CE1-CB 4.25Å; Y60-I74 HydrophobicContact CD1-CD1 4.48Å; Y60-I74 HydrophobicContact CD1-CG2 4.17Å; Y60-I74 HydrophobicContact CD2-CD1 4.26Å; Y60-I74 HydrophobicContact CE1-CD1 3.85Å; Y60-I74 HydrophobicContact CE1-CG2 4.44Å; Y60-I74 HydrophobicContact CE2-CD1 3.59Å; Y60-I74 HydrophobicContact CG-CG2 4.36Å; Y60-I74 WeakPolarHBondContact OH-CD1 3.36Å; Y60-T83 PolarHBondContact N-O 3.06Å; Y60-C84 HydrophobicContact CD1-CB 4.5Å; Y60-C84 CarbonylContact O-C 3.26Å; Y60-C84 VanDerWaalsContact O-CA 3.26Å; Y60-C84 WeakPolarHBondContact O-CA 3.29Å; Y60-Y85 PolarHBondContact O-N 2.68Å; Y60-F86 AromaticContact CD1-CE1 3.83Å; Y60-F86 HydrophobicContact CD1-CE1 3.83Å; Y60-F86 HydrophobicContact CE1-CD1 4.41Å; Y60-F86 AromaticContact CE1-CE1 3.74Å; Y60-F86 HydrophobicContact CE1-CE1 3.74Å; Y60-L137 WeakPolarHBondContact CA-O 3.37Å; Y60-L137 HydrophobicContact CD2-CB 3.95Å; Y60-L137 HydrophobicContact CD2-CD2 3.74Å; Y60-L137 HydrophobicContact CD2-CG 3.65Å; Y60-L137 WeakPolarHBondContact CD2-O 3.39Å; Y60-L137 HydrophobicContact CE2-CD2 3.92Å; Y60-L137 HydrophobicContact CE2-CG 3.88Å; Y60-L139 HydrophobicContact CE2-CB 3.9Å; Y60-L139 WeakPolarHBondContact OH-CB 3.11Å
61L98Very high96.8Very high0 Ų029.5 Ų29.50%017%0.168CC..EExtended strand (participates in β ladder)trans-123.6112.1170.9165.966.1000109.1M63 Y85 L121 V135 L137 I138 L139 L278L61-M63 HydrophobicContact CD1-CG 4.15Å; L61-M63 HydrophobicContact CD2-CG 3.97Å; L61-M63 HydrophobicContact CD2-SD 4.1Å; L61-M63 HydrophobicContact CG-CG 3.75Å; L61-Y85 WeakPolarHBondContact CA-O 3.44Å; L61-L121 HydrophobicContact CD1-CD1 4.43Å; L61-L121 HydrophobicContact CD2-CD2 3.82Å; L61-V135 HydrophobicContact CB-CG1 4.15Å; L61-L137 PolarHBondContact N-O 3.02Å; L61-I138 HydrophobicContact CB-CG1 4.16Å; L61-I138 HydrophobicContact CD2-CD1 4.09Å; L61-I138 HydrophobicContact CD2-CG1 4.19Å; L61-I138 HydrophobicContact CG-CG1 4.47Å; L61-I138 VanDerWaalsContact O-CA 3.28Å; L61-I138 WeakPolarHBondContact O-CA 3.42Å; L61-L139 PolarHBondContact O-N 3.48Å; L61-L278 HydrophobicContact CD2-CD1 3.93Å
62D98.5Very high96.7Very high2 Ų229 Ų291%0.01117%0.169CC..EExtended strand (participates in β ladder)trans-89.8114168.9-160-39.8000107.8Y60 T64 F65 Y85 F86 L87Y60-D62 HydrophobicContact CE1-CB 3.79Å; Y60-D62 HydrophobicContact CE2-CB 4.45Å; Y60-D62 VanDerWaalsContact OH-CB 3.32Å; Y60-D62 WeakPolarHBondContact OH-CB 3.32Å; Y60-D62 PolarHBondContact OH-OD2 2.84Å; D62-T64 VanDerWaalsContact C-N 3.34Å; D62-T64 VanDerWaalsContact OD1-C 3.27Å; D62-T64 PolarHBondContact OD1-N 3.12Å; D62-T64 VanDerWaalsContact OD1-N 3.1Å; D62-F65 PolarHBondContact OD1-N 3.13Å; D62-Y85 PolarHBondContact N-O 3.18Å; D62-F86 HydrophobicContact CB-CD1 3.79Å; D62-F86 HydrophobicContact CB-CE1 4.39Å; D62-L87 PolarHBondContact O-N 3.12Å
63M98.1Very high96.6Very high1 Ų130.7 Ų30.71%0.00518%0.177CC..SBendtrans-86.6-8.6-177.8-66.5-17063.200113L61 L87 F118 L121 I138 L139 M140L61-M63 HydrophobicContact CD1-CG 4.15Å; L61-M63 HydrophobicContact CD2-CG 3.97Å; L61-M63 HydrophobicContact CD2-SD 4.1Å; L61-M63 HydrophobicContact CG-CG 3.75Å; M63-L87 CarbonylContact C-O 3.59Å; M63-L87 VanDerWaalsContact C-O 3.24Å; M63-L87 HydrophobicContact CB-CD2 4.45Å; M63-L87 HydrophobicContact CE-CD2 4.3Å; M63-F118 HydrophobicContact CB-CD1 4.32Å; M63-F118 HydrophobicContact CB-CE1 3.96Å; M63-F118 HydrophobicContact CB-CZ 4.35Å; M63-F118 HydrophobicContact CE-CB 3.81Å; M63-F118 HydrophobicContact CE-CD1 3.73Å; M63-F118 HydrophobicContact CE-CD2 4.1Å; M63-F118 HydrophobicContact CE-CE1 4.38Å; M63-F118 HydrophobicContact CE-CG 3.6Å; M63-F118 WeakPolarHBondContact O-CE1 3.29Å; M63-L121 HydrophobicContact CE-CD2 3.97Å; M63-L121 HydrophobicContact SD-CD2 4.46Å; M63-I138 HydrophobicContact CG-CG2 3.99Å; M63-I138 HydrophobicContact SD-CG2 3.71Å; M63-L139 WeakPolarHBondContact CB-O 3.41Å; M63-L139 PolarHBondContact N-O 2.84Å; M63-M140 HydrophobicContact CB-CG 4Å; M63-M140 HydrophobicContact CE-CE 4.11Å; M63-M140 HydrophobicContact SD-CE 3.37Å; M63-M140 WeakPolarHBondContact SD-CE 3.36Å; M63-M140 HydrophobicContact SD-CG 4.4Å
64T97Very high96.6Very high26 Ų2625.8 Ų25.816%0.1615%0.154CC..  trans-144.156.7-172.853.20000109.5D62 G66 L87 F118 D141D62-T64 VanDerWaalsContact C-N 3.34Å; D62-T64 VanDerWaalsContact OD1-C 3.27Å; D62-T64 PolarHBondContact OD1-N 3.12Å; D62-T64 VanDerWaalsContact OD1-N 3.1Å; T64-G66 VanDerWaalsContact C-N 3.25Å; T64-G66 PolarHBondContact O-N 3.03Å; T64-G66 VanDerWaalsContact O-N 3.14Å; T64-L87 PolarHBondContact N-O 3.47Å; T64-F118 HydrophobicContact CG2-CE1 3.89Å; T64-F118 HydrophobicContact CG2-CZ 3.64Å; T64-D141 VanDerWaalsContact CB-O 3.31Å; T64-D141 WeakPolarHBondContact CB-O 3.44Å; T64-D141 WeakPolarHBondContact CG2-O 3.3Å; T64-D141 WeakPolarHBondContact OG1-CA 3.35Å; T64-D141 PolarHBondContact OG1-N 3.46Å; T64-D141 PolarHBondContact OG1-O 3.31Å
65F97.1Very high96.6Very high7 Ų725.6 Ų25.63%0.03115%0.152CC..  trans-55.1-39-166.5179-94.6000113.7D62 T67 G68 A71 F86 L87 D88 F96 M97 L100D62-F65 PolarHBondContact OD1-N 3.13Å; F65-T67 PolarHBondContact O-N 3.01Å; F65-T67 VanDerWaalsContact O-N 3.1Å; F65-G68 WeakPolarHBondContact O-CA 3.4Å; F65-G68 PolarHBondContact O-N 3.08Å; F65-A71 HydrophobicContact CD2-CB 3.94Å; F65-A71 HydrophobicContact CE2-CB 3.6Å; F65-F86 HydrophobicContact CB-CB 4.3Å; F65-F86 HydrophobicContact CD2-CB 3.54Å; F65-F86 AromaticContact CD2-CD1 3.8Å; F65-F86 HydrophobicContact CD2-CD1 3.8Å; F65-F86 AromaticContact CD2-CD2 3.81Å; F65-F86 HydrophobicContact CD2-CD2 3.81Å; F65-F86 HydrophobicContact CD2-CE1 4.45Å; F65-F86 HydrophobicContact CD2-CE2 4.47Å; F65-F86 AromaticContact CD2-CG 3.44Å; F65-F86 HydrophobicContact CD2-CG 3.44Å; F65-F86 VanDerWaalsContact CD2-CG 3.44Å; F65-F86 HydrophobicContact CE2-CB 4.05Å; F65-F86 HydrophobicContact CE2-CD1 4.08Å; F65-F86 AromaticContact CE2-CD2 3.42Å; F65-F86 HydrophobicContact CE2-CD2 3.42Å; F65-F86 VanDerWaalsContact CE2-CD2 3.42Å; F65-F86 HydrophobicContact CE2-CE1 4.4Å; F65-F86 AromaticContact CE2-CE2 3.81Å; F65-F86 HydrophobicContact CE2-CE2 3.81Å; F65-F86 AromaticContact CE2-CG 3.59Å; F65-F86 HydrophobicContact CE2-CG 3.59Å; F65-F86 HydrophobicContact CE2-CZ 4.3Å; F65-F86 HydrophobicContact CG-CB 4.04Å; F65-F86 HydrophobicContact CG-CG 4.41Å; F65-F86 HydrophobicContact CZ-CD2 4.24Å; F65-L87 PolarHBondContact N-O 3.26Å; F65-D88 HydrophobicContact CB-CB 4.29Å; F65-D88 PolarHBondContact N-OD2 2.85Å; F65-F96 HydrophobicContact CE1-CB 3.74Å; F65-M97 HydrophobicContact CB-CE 3.54Å; F65-M97 HydrophobicContact CD1-CE 3.79Å; F65-M97 HydrophobicContact CD1-CG 3.4Å; F65-M97 VanDerWaalsContact CD1-CG 3.4Å; F65-M97 HydrophobicContact CD1-SD 4.46Å; F65-M97 HydrophobicContact CD2-CG 4.19Å; F65-M97 HydrophobicContact CE1-CB 4.14Å; F65-M97 HydrophobicContact CE1-CG 3.37Å; F65-M97 HydrophobicContact CE2-CG 4.14Å; F65-M97 HydrophobicContact CG-CE 3.76Å; F65-M97 HydrophobicContact CG-CG 3.83Å; F65-M97 HydrophobicContact CZ-CB 4.24Å; F65-M97 HydrophobicContact CZ-CG 3.75Å; F65-L100 HydrophobicContact CE2-CD2 3.72Å; F65-L100 HydrophobicContact CZ-CB 4.39Å; F65-L100 HydrophobicContact CZ-CD2 3.81Å
66G93.8Very high96.4Very high6 Ų626.7 Ų26.76%0.06216%0.157CC..THydrogen-bonded Turntrans58.7-112.2-17900000111.4T64 D88 S93T64-G66 VanDerWaalsContact C-N 3.25Å; T64-G66 PolarHBondContact O-N 3.03Å; T64-G66 VanDerWaalsContact O-N 3.14Å; G66-D88 VanDerWaalsContact CA-OD2 3.3Å; G66-D88 WeakPolarHBondContact CA-OD2 3.37Å; G66-D88 PolarHBondContact N-OD2 3.14Å; G66-S93 WeakPolarHBondContact O-CB 3.49Å; G66-S93 PolarHBondContact O-OG 3.4Å
67T93.2Very high96.4Very high36 Ų3628.3 Ų28.322%0.22115%0.153CC..THydrogen-bonded Turntrans-1013.9175.356.70000113.4F65 F96 L147F65-T67 PolarHBondContact O-N 3.01Å; F65-T67 VanDerWaalsContact O-N 3.1Å; T67-F96 HydrophobicContact CG2-CD1 4.49Å; T67-F96 HydrophobicContact CG2-CE1 4.23Å; T67-F96 HydrophobicContact CG2-CE2 4.31Å; T67-F96 HydrophobicContact CG2-CZ 4.14Å; T67-L147 HydrophobicContact CG2-CB 4.07Å; T67-L147 HydrophobicContact CG2-CD2 4.44Å
68G94.7Very high96.4Very high3 Ų326.2 Ų26.23%0.03113%0.13CC..SBendtrans83.717.2175.100000115.3F65 A71 N72F65-G68 WeakPolarHBondContact O-CA 3.4Å; F65-G68 PolarHBondContact O-N 3.08Å; G68-A71 PolarHBondContact O-N 3.33Å; G68-N72 WeakPolarHBondContact O-CB 3.41Å; G68-N72 PolarHBondContact O-N 2.94Å
69G94.5Very high96Very high14 Ų1425.7 Ų25.714%0.14414%0.136CC..Hα-helixtrans-57.1-54-179.200000112.8N72 E73G69-N72 PolarHBondContact O-N 2.92Å; G69-E73 WeakPolarHBondContact O-CG 3.02Å; G69-E73 PolarHBondContact O-N 2.87Å
70H97Very high95.7Very high12 Ų1228.3 Ų28.36%0.05615%0.149CC..Hα-helixtrans-65.4-45.6177.7-75.2-62.3000112.6P42 I43 I48 N72 E73 I74 L139 D141P42-H70 VanDerWaalsContact CB-CE1 3.48Å; P42-H70 WeakPolarHBondContact CB-CE1 3.44Å; I43-H70 PolarHBondContact O-CE1 3.23Å; I48-H70 VanDerWaalsContact CD1-CE1 3.41Å; I48-H70 WeakPolarHBondContact CD1-CE1 3.46Å; H70-N72 VanDerWaalsContact C-N 3.29Å; H70-N72 PolarHBondContact O-N 3.03Å; H70-E73 PolarHBondContact O-N 3.04Å; H70-I74 WeakPolarHBondContact O-CG1 3.49Å; H70-I74 PolarHBondContact O-N 2.81Å; H70-L139 HydrophobicContact CB-CD1 3.81Å; H70-L139 HydrophobicContact CB-CD2 4.32Å; H70-D141 IonicContact CD2-OD2 3.77Å; H70-D141 IonicContact NE2-OD2 2.77Å
71A97.1Very high95.6Very high0 Ų031.8 Ų31.80%017%0.168CC..Hα-helixtrans-54.7-44.8175.700000112.2Y60 F65 G68 E73 I74 L75 F86 L100Y60-A71 HydrophobicContact CE1-CB 4.25Å; F65-A71 HydrophobicContact CD2-CB 3.94Å; F65-A71 HydrophobicContact CE2-CB 3.6Å; G68-A71 PolarHBondContact O-N 3.33Å; A71-E73 PolarHBondContact O-N 3.2Å; A71-I74 PolarHBondContact O-N 3.18Å; A71-L75 WeakPolarHBondContact O-CB 3.37Å; A71-L75 VanDerWaalsContact O-CG 3.25Å; A71-L75 WeakPolarHBondContact O-CG 3.29Å; A71-L75 PolarHBondContact O-N 3.46Å; A71-F86 HydrophobicContact CB-CD1 4.36Å; A71-F86 HydrophobicContact CB-CE1 3.73Å; A71-F86 HydrophobicContact CB-CE2 4.48Å; A71-F86 HydrophobicContact CB-CZ 3.82Å; A71-L100 HydrophobicContact CB-CD2 3.81Å
72N96.2Very high95.6Very high55 Ų5531.9 Ų31.929%0.29417%0.168SC..Hα-helixtrans-63-41.6178.1-176.375.6000112.5G68 G69 H70 K76 L100 Y104G68-N72 WeakPolarHBondContact O-CB 3.41Å; G68-N72 PolarHBondContact O-N 2.94Å; G69-N72 PolarHBondContact O-N 2.92Å; H70-N72 VanDerWaalsContact C-N 3.29Å; H70-N72 PolarHBondContact O-N 3.03Å; N72-K76 VanDerWaalsContact O-CB 3.23Å; N72-K76 WeakPolarHBondContact O-CB 3.43Å; N72-K76 PolarHBondContact O-N 2.82Å; N72-L100 HydrophobicContact CB-CD1 3.97Å; N72-L100 WeakPolarHBondContact OD1-CD1 3.38Å; N72-Y104 PolarHBondContact O-OH 3.42Å; N72-Y104 PolarHBondContact OD1-OH 3.18Å
73E96.6Very high95.5Very high42 Ų4233.1 Ų33.120%0.19618%0.176CC..Hα-helixtrans-66.3-38.6176.7-64.5-70.4169.300111.9P42 K45 G69 H70 A71 Y77P42-E73 HydrophobicContact CG-CG 3.96Å; K45-E73 HydrophobicContact CB-CG 4.22Å; K45-E73 HydrophobicContact CD-CG 3.98Å; K45-E73 IonicContact NZ-OE1 3.44Å; K45-E73 PolarHBondContact NZ-OE1 2.64Å; G69-E73 WeakPolarHBondContact O-CG 3.02Å; G69-E73 PolarHBondContact O-N 2.87Å; H70-E73 PolarHBondContact O-N 3.04Å; A71-E73 PolarHBondContact O-N 3.2Å; E73-Y77 VanDerWaalsContact O-CB 3.3Å; E73-Y77 WeakPolarHBondContact O-CB 3.45Å; E73-Y77 PolarHBondContact O-N 2.82Å
74I97.2Very high95.4Very high2 Ų233 Ų331%0.0118%0.176CC..Hα-helixtrans-67.1-48.1176.5-70.2166.3000111I49 P54 Y60 H70 A71 K76 Y77 A78 L82 L137 L139I49-I74 HydrophobicContact CD1-CG1 4.06Å; P54-I74 HydrophobicContact CB-CG2 4.03Å; P54-I74 HydrophobicContact CG-CG1 4.33Å; P54-I74 HydrophobicContact CG-CG2 4.14Å; Y60-I74 HydrophobicContact CD1-CD1 4.48Å; Y60-I74 HydrophobicContact CD1-CG2 4.17Å; Y60-I74 HydrophobicContact CD2-CD1 4.26Å; Y60-I74 HydrophobicContact CE1-CD1 3.85Å; Y60-I74 HydrophobicContact CE1-CG2 4.44Å; Y60-I74 HydrophobicContact CE2-CD1 3.59Å; Y60-I74 HydrophobicContact CG-CG2 4.36Å; Y60-I74 WeakPolarHBondContact OH-CD1 3.36Å; H70-I74 WeakPolarHBondContact O-CG1 3.49Å; H70-I74 PolarHBondContact O-N 2.81Å; A71-I74 PolarHBondContact O-N 3.18Å; I74-K76 VanDerWaalsContact C-N 3.31Å; I74-K76 PolarHBondContact O-N 3.08Å; I74-Y77 PolarHBondContact O-N 2.74Å; I74-A78 VanDerWaalsContact O-CB 3.29Å; I74-A78 WeakPolarHBondContact O-CB 3.38Å; I74-A78 PolarHBondContact O-N 2.75Å; I74-L82 HydrophobicContact CG2-CD1 4.19Å; I74-L137 HydrophobicContact CD1-CD2 3.83Å; I74-L137 HydrophobicContact CG1-CD2 4.49Å; I74-L139 HydrophobicContact CD1-CD1 4.39Å
75L96.5Very high95.5Very high2 Ų232.2 Ų32.21%0.0117%0.17CC..Hα-helixtrans-58.6-44.3176.5-71.2172.7000111.2A71 G79 L82 F86 L100 Y104 H109 I111A71-L75 WeakPolarHBondContact O-CB 3.37Å; A71-L75 VanDerWaalsContact O-CG 3.25Å; A71-L75 WeakPolarHBondContact O-CG 3.29Å; A71-L75 PolarHBondContact O-N 3.46Å; L75-G79 PolarHBondContact O-N 2.94Å; L75-L82 HydrophobicContact CD2-CB 4.39Å; L75-L82 HydrophobicContact CD2-CD1 3.71Å; L75-F86 HydrophobicContact CD1-CZ 4.23Å; L75-L100 HydrophobicContact CD1-CD1 4.23Å; L75-L100 HydrophobicContact CD1-CD2 3.72Å; L75-L100 HydrophobicContact CD1-CG 3.79Å; L75-Y104 HydrophobicContact CB-CD1 4.2Å; L75-Y104 HydrophobicContact CB-CE1 3.8Å; L75-Y104 HydrophobicContact CB-CE2 4.23Å; L75-Y104 HydrophobicContact CD1-CD2 3.89Å; L75-Y104 HydrophobicContact CD1-CE2 4.04Å; L75-Y104 HydrophobicContact CD1-CG 4.21Å; L75-H109 VanDerWaalsContact CD2-CD2 3.43Å; L75-H109 WeakPolarHBondContact CD2-CD2 3.42Å; L75-I111 HydrophobicContact CD1-CD1 4.2Å
76K94.7Very high95.5Very high148 Ų14831.9 Ų31.964%0.64317%0.168SC*.Hα-helixtrans-62.8-42.5177.1-175.9-179.6177-175.90112.5N72 I74N72-K76 VanDerWaalsContact O-CB 3.23Å; N72-K76 WeakPolarHBondContact O-CB 3.43Å; N72-K76 PolarHBondContact O-N 2.82Å; I74-K76 VanDerWaalsContact C-N 3.31Å; I74-K76 PolarHBondContact O-N 3.08Å
77Y96.6Very high95.7Very high122 Ų12231.6 Ų31.648%0.47817%0.165SC..Hα-helixtrans-76.6-45.4-176-178.3-89.8000112.9I49 P54 E73 I74 G79I49-Y77 HydrophobicContact CD1-CD1 4.4Å; I49-Y77 HydrophobicContact CD1-CG 4.06Å; I49-Y77 HydrophobicContact CG2-CD1 3.97Å; I49-Y77 HydrophobicContact CG2-CD2 3.23Å; I49-Y77 HydrophobicContact CG2-CE1 4.05Å; I49-Y77 HydrophobicContact CG2-CE2 3.3Å; I49-Y77 HydrophobicContact CG2-CG 3.56Å; P54-Y77 HydrophobicContact CB-CD1 4.5Å; P54-Y77 HydrophobicContact CG-CD1 4.5Å; P54-Y77 WeakPolarHBondContact O-CD1 3.04Å; P54-Y77 WeakPolarHBondContact O-CE1 3.35Å; E73-Y77 VanDerWaalsContact O-CB 3.3Å; E73-Y77 WeakPolarHBondContact O-CB 3.45Å; E73-Y77 PolarHBondContact O-N 2.82Å; I74-Y77 PolarHBondContact O-N 2.74Å; Y77-G79 PolarHBondContact O-N 2.92Å
78A93.9Very high95.9Very high5 Ų530.6 Ų30.64%0.04116%0.158CC..Hα-helixtrans-68.3-21-174.700000112.9P54 P56 I74 L82P54-A78 HydrophobicContact CB-CB 3.98Å; P56-A78 WeakPolarHBondContact CD-O 3.13Å; P56-A78 WeakPolarHBondContact CG-O 3.06Å; I74-A78 VanDerWaalsContact O-CB 3.29Å; I74-A78 WeakPolarHBondContact O-CB 3.38Å; I74-A78 PolarHBondContact O-N 2.75Å; A78-L82 HydrophobicContact CB-CD1 3.62Å; A78-L82 HydrophobicContact CB-CD2 3.91Å; A78-L82 HydrophobicContact CB-CG 3.95Å
79G89.1Confident95.8Very high29 Ų2932.4 Ų32.430%0.29916%0.164SC..  trans69.8-154.9-168.500000110.6L75 Y77 H109L75-G79 PolarHBondContact O-N 2.94Å; Y77-G79 PolarHBondContact O-N 2.92Å; G79-H109 PolarHBondContact O-CE1 3.03Å
80D92.3Very high95.8Very high79 Ų7931.7 Ų31.742%0.42216%0.157SC..SBendtrans-76.9169.9-163.2-64-22.4000115.6P56 L82 S107P56-D80 WeakPolarHBondContact CA-O 3.36Å; P56-D80 WeakPolarHBondContact CB-O 3.26Å; D80-L82 VanDerWaalsContact C-N 3.34Å; D80-L82 PolarHBondContact O-N 2.9Å; D80-S107 WeakPolarHBondContact CA-O 3.48Å; D80-S107 VanDerWaalsContact CB-O 3.29Å; D80-S107 WeakPolarHBondContact CB-O 3.27Å; D80-S107 WeakPolarHBondContact OD1-CA 3.32Å; D80-S107 WeakPolarHBondContact OD1-CB 3.3Å; D80-S107 PolarHBondContact OD1-OG 3.07Å
81N95.6Very high95.5Very high76 Ų7632.8 Ų32.841%0.40617%0.165SC..  trans67.318.1169.6-52.8-62.4000117.1G57 S107 N108 H109G57-N81 WeakPolarHBondContact CA-O 3.43Å; N81-S107 PolarHBondContact N-O 3.09Å; N81-N108 WeakPolarHBondContact OD1-CB 3.48Å; N81-N108 PolarHBondContact OD1-ND2 3.14Å; N81-H109 PolarHBondContact N-ND1 2.89Å
82L96.8Very high95.2Very high2 Ų235.1 Ų35.11%0.0118%0.18CC..  trans-62.7146.4167.6-67-177.7000112.7K55 Q58 I74 L75 A78 D80 H109 K110K55-L82 VanDerWaalsContact O-CD2 3.23Å; K55-L82 WeakPolarHBondContact O-CD2 3.18Å; Q58-L82 HydrophobicContact CB-CD2 3.98Å; I74-L82 HydrophobicContact CG2-CD1 4.19Å; L75-L82 HydrophobicContact CD2-CB 4.39Å; L75-L82 HydrophobicContact CD2-CD1 3.71Å; A78-L82 HydrophobicContact CB-CD1 3.62Å; A78-L82 HydrophobicContact CB-CD2 3.91Å; A78-L82 HydrophobicContact CB-CG 3.95Å; D80-L82 VanDerWaalsContact C-N 3.34Å; D80-L82 PolarHBondContact O-N 2.9Å; L82-H109 PolarHBondContact N-ND1 2.9Å; L82-H109 VanDerWaalsContact N-ND1 3.14Å; L82-H109 WeakPolarHBondContact O-CA 3.45Å; L82-K110 PolarHBondContact O-N 2.69Å
83T96.8Very high95Very high28 Ų2832.6 Ų32.617%0.17217%0.167CC..EExtended strand (participates in β ladder)trans-106.4114163.3-57.30000108.2Q58 V59 Y60 Y85 K110 Y112Q58-T83 PolarHBondContact O-N 2.87Å; V59-T83 CarbonylContact C-O 3.48Å; V59-T83 WeakPolarHBondContact CA-O 3.28Å; Y60-T83 PolarHBondContact N-O 3.06Å; T83-Y85 HydrophobicContact CG2-CE2 3.83Å; T83-K110 CarbonylContact C-O 3.55Å; T83-K110 WeakPolarHBondContact CA-O 3.46Å; T83-K110 HydrophobicContact CG2-CB 4.15Å; T83-Y112 HydrophobicContact CG2-CD2 4.37Å; T83-Y112 HydrophobicContact CG2-CE2 3.82Å
84C97.5Very high94.9Very high0 Ų034 Ų340%018%0.175CC..EExtended strand (participates in β ladder)trans-118.7130.8-171.7-59.10000111.4Y60 F86 K110 I111 Y112Y60-C84 HydrophobicContact CD1-CB 4.5Å; Y60-C84 CarbonylContact O-C 3.26Å; Y60-C84 VanDerWaalsContact O-CA 3.26Å; Y60-C84 WeakPolarHBondContact O-CA 3.29Å; C84-F86 HydrophobicContact CB-CD1 4.21Å; C84-F86 HydrophobicContact CB-CE1 3.5Å; C84-F86 HydrophobicContact CB-CE2 4.25Å; C84-F86 HydrophobicContact CB-CZ 3.51Å; C84-K110 PolarHBondContact N-O 2.87Å; C84-I111 HydrophobicContact CB-CG1 4.04Å; C84-I111 CarbonylContact O-C 3.55Å; C84-I111 WeakPolarHBondContact O-CA 3.32Å; C84-Y112 PolarHBondContact O-N 3.43Å
85Y97.8Very high94.8Very high9 Ų937.2 Ų37.24%0.03520%0.198CC..EExtended strand (participates in β ladder)trans-109.9120.7169.1-60.9-89.8000107.5V59 Y60 L61 D62 T83 Y112 L114 L125 Y128 L130V59-Y85 HydrophobicContact CG1-CD2 4.24Å; V59-Y85 HydrophobicContact CG1-CE2 3.92Å; Y60-Y85 PolarHBondContact O-N 2.68Å; L61-Y85 WeakPolarHBondContact CA-O 3.44Å; D62-Y85 PolarHBondContact N-O 3.18Å; T83-Y85 HydrophobicContact CG2-CE2 3.83Å; Y85-Y112 AromaticContact CD1-CD2 3.8Å; Y85-Y112 HydrophobicContact CD1-CD2 3.8Å; Y85-Y112 HydrophobicContact CD1-CG 4.21Å; Y85-Y112 AromaticContact CE1-CD2 3.42Å; Y85-Y112 HydrophobicContact CE1-CD2 3.42Å; Y85-Y112 VanDerWaalsContact CE1-CD2 3.42Å; Y85-Y112 HydrophobicContact CE1-CE2 4.09Å; Y85-Y112 HydrophobicContact CE1-CG 4.06Å; Y85-Y112 HydrophobicContact CE2-CD2 4.38Å; Y85-Y112 HydrophobicContact CG-CD2 4.43Å; Y85-Y112 AromaticContact CZ-CD2 3.76Å; Y85-L114 HydrophobicContact CD1-CD1 4.21Å; Y85-L125 HydrophobicContact CD1-CD2 3.65Å; Y85-L125 HydrophobicContact CE1-CD2 3.86Å; Y85-L125 HydrophobicContact CG-CD2 4.31Å; Y85-Y128 HydrophobicContact CE1-CD1 4.09Å; Y85-Y128 HydrophobicContact CE1-CG 4.04Å; Y85-L130 HydrophobicContact CD2-CD2 4.45Å; Y85-L130 HydrophobicContact CE2-CD1 3.74Å; Y85-L130 HydrophobicContact CE2-CD2 4.22Å; Y85-L130 HydrophobicContact CE2-CG 4.45Å
86F98Very high94.8Very high0 Ų040.1 Ų40.10%021%0.21CC..EExtended strand (participates in β ladder)trans-112.6106.9-178.7-62.8-28.5000108.6Y60 D62 F65 A71 L75 C84 M97 L100 I111 Y112 L114Y60-F86 AromaticContact CD1-CE1 3.83Å; Y60-F86 HydrophobicContact CD1-CE1 3.83Å; Y60-F86 HydrophobicContact CE1-CD1 4.41Å; Y60-F86 AromaticContact CE1-CE1 3.74Å; Y60-F86 HydrophobicContact CE1-CE1 3.74Å; D62-F86 HydrophobicContact CB-CD1 3.79Å; D62-F86 HydrophobicContact CB-CE1 4.39Å; F65-F86 HydrophobicContact CB-CB 4.3Å; F65-F86 HydrophobicContact CD2-CB 3.54Å; F65-F86 AromaticContact CD2-CD1 3.8Å; F65-F86 HydrophobicContact CD2-CD1 3.8Å; F65-F86 AromaticContact CD2-CD2 3.81Å; F65-F86 HydrophobicContact CD2-CD2 3.81Å; F65-F86 HydrophobicContact CD2-CE1 4.45Å; F65-F86 HydrophobicContact CD2-CE2 4.47Å; F65-F86 AromaticContact CD2-CG 3.44Å; F65-F86 HydrophobicContact CD2-CG 3.44Å; F65-F86 VanDerWaalsContact CD2-CG 3.44Å; F65-F86 HydrophobicContact CE2-CB 4.05Å; F65-F86 HydrophobicContact CE2-CD1 4.08Å; F65-F86 AromaticContact CE2-CD2 3.42Å; F65-F86 HydrophobicContact CE2-CD2 3.42Å; F65-F86 VanDerWaalsContact CE2-CD2 3.42Å; F65-F86 HydrophobicContact CE2-CE1 4.4Å; F65-F86 AromaticContact CE2-CE2 3.81Å; F65-F86 HydrophobicContact CE2-CE2 3.81Å; F65-F86 AromaticContact CE2-CG 3.59Å; F65-F86 HydrophobicContact CE2-CG 3.59Å; F65-F86 HydrophobicContact CE2-CZ 4.3Å; F65-F86 HydrophobicContact CG-CB 4.04Å; F65-F86 HydrophobicContact CG-CG 4.41Å; F65-F86 HydrophobicContact CZ-CD2 4.24Å; A71-F86 HydrophobicContact CB-CD1 4.36Å; A71-F86 HydrophobicContact CB-CE1 3.73Å; A71-F86 HydrophobicContact CB-CE2 4.48Å; A71-F86 HydrophobicContact CB-CZ 3.82Å; L75-F86 HydrophobicContact CD1-CZ 4.23Å; C84-F86 HydrophobicContact CB-CD1 4.21Å; C84-F86 HydrophobicContact CB-CE1 3.5Å; C84-F86 HydrophobicContact CB-CE2 4.25Å; C84-F86 HydrophobicContact CB-CZ 3.51Å; F86-M97 HydrophobicContact CB-CE 4.08Å; F86-M97 HydrophobicContact CB-CG 3.97Å; F86-M97 HydrophobicContact CB-SD 4.08Å; F86-M97 HydrophobicContact CD2-CG 4.49Å; F86-M97 VanDerWaalsContact O-CE 3.27Å; F86-M97 WeakPolarHBondContact O-CE 3.38Å; F86-L100 HydrophobicContact CE2-CD2 3.84Å; F86-L100 HydrophobicContact CZ-CD2 4.17Å; F86-I111 HydrophobicContact CD2-CG2 3.49Å; F86-I111 VanDerWaalsContact CD2-CG2 3.49Å; F86-I111 HydrophobicContact CE2-CB 4.32Å; F86-I111 HydrophobicContact CE2-CD1 4.23Å; F86-I111 HydrophobicContact CE2-CG1 4Å; F86-I111 HydrophobicContact CE2-CG2 3.39Å; F86-I111 HydrophobicContact CZ-CG1 4.35Å; F86-I111 HydrophobicContact CZ-CG2 4.39Å; F86-Y112 PolarHBondContact N-O 2.97Å; F86-L114 PolarHBondContact O-N 3.44Å
87L97.5Very high94.9Very high0 Ų033.1 Ų33.10%018%0.18CC..EExtended strand (participates in β ladder)trans-101.2134178.2-179.176.5000109.7D62 M63 T64 F65 L114 G116 F118 L121 L124D62-L87 PolarHBondContact O-N 3.12Å; M63-L87 CarbonylContact C-O 3.59Å; M63-L87 VanDerWaalsContact C-O 3.24Å; M63-L87 HydrophobicContact CB-CD2 4.45Å; M63-L87 HydrophobicContact CE-CD2 4.3Å; T64-L87 PolarHBondContact N-O 3.47Å; F65-L87 PolarHBondContact N-O 3.26Å; L87-L114 VanDerWaalsContact CA-O 3.29Å; L87-L114 WeakPolarHBondContact CA-O 3.28Å; L87-L114 HydrophobicContact CB-CB 4.47Å; L87-L114 HydrophobicContact CD1-CB 3.84Å; L87-G116 WeakPolarHBondContact CD1-O 3.19Å; L87-F118 HydrophobicContact CD2-CD1 3.94Å; L87-L121 HydrophobicContact CD1-CD1 4.38Å; L87-L121 HydrophobicContact CD2-CB 4.37Å; L87-L121 HydrophobicContact CD2-CD1 4.24Å; L87-L124 HydrophobicContact CD1-CD1 3.73Å
88D96.7Very high94.9Very high14 Ų1431.4 Ų31.48%0.07518%0.176CC..EExtended strand (participates in β ladder)trans-148.3145.1161.9-155.6-61.4000109.7F65 G66 D90 S93 M97 L114 I115 G116F65-D88 HydrophobicContact CB-CB 4.29Å; F65-D88 PolarHBondContact N-OD2 2.85Å; G66-D88 VanDerWaalsContact CA-OD2 3.3Å; G66-D88 WeakPolarHBondContact CA-OD2 3.37Å; G66-D88 PolarHBondContact N-OD2 3.14Å; D88-D90 VanDerWaalsContact C-N 3.33Å; D88-D90 WeakPolarHBondContact OD1-CB 3.5Å; D88-D90 PolarHBondContact OD1-N 2.87Å; D88-S93 VanDerWaalsContact CG-OG 3.31Å; D88-S93 PolarHBondContact OD2-OG 2.89Å; D88-M97 HydrophobicContact CB-CE 3.64Å; D88-L114 PolarHBondContact N-O 2.93Å; D88-L114 VanDerWaalsContact N-O 3.12Å; D88-I115 CarbonylContact O-C 3.55Å; D88-I115 VanDerWaalsContact O-CA 3.28Å; D88-I115 WeakPolarHBondContact O-CA 3.29Å; D88-G116 CarbonylContact C-O 3.6Å; D88-G116 VanDerWaalsContact C-O 3.26Å; D88-G116 PolarHBondContact O-N 3.38Å
89R94Very high95Very high41 Ų4134.2 Ų34.216%0.15520%0.196CC..SBendtrans-81.6-16.1176.566.6-178.6-69.2171.1-0.8113P91 G116 R117 M168 N262R89-P91 WeakPolarHBondContact O-CD 3.41Å; R89-G116 VanDerWaalsContact CA-O 3.22Å; R89-G116 WeakPolarHBondContact CA-O 3.46Å; R89-G116 WeakPolarHBondContact CB-O 3.27Å; R89-G116 PolarHBondContact N-O 3.07Å; R89-G116 VanDerWaalsContact N-O 3.16Å; R89-R117 HydrophobicContact CB-CG 4.07Å; R89-M168 HydrophobicContact CG-CB 4.03Å; R89-M168 HydrophobicContact CG-SD 4.47Å; R89-N262 PolarHBondContact NH1-O 3.18Å; R89-N262 PolarHBondContact NH2-O 3.41Å
90D93Very high95.3Very high0 Ų033.4 Ų33.40%018%0.184CC..SBendtrans-88.3113.8176.5-165.9-37.1000109.8D88 T92 S93 Q148 R154 M168D88-D90 VanDerWaalsContact C-N 3.33Å; D88-D90 WeakPolarHBondContact OD1-CB 3.5Å; D88-D90 PolarHBondContact OD1-N 2.87Å; D90-T92 PolarHBondContact O-N 3.03Å; D90-T92 WeakPolarHBondContact OD1-CB 3.5Å; D90-T92 WeakPolarHBondContact OD1-CG2 3.39Å; D90-T92 PolarHBondContact OD1-N 3.25Å; D90-T92 PolarHBondContact OD1-OG1 3.43Å; D90-S93 VanDerWaalsContact O-CB 3.28Å; D90-S93 WeakPolarHBondContact O-CB 3.44Å; D90-S93 PolarHBondContact O-N 3.03Å; D90-Q148 WeakPolarHBondContact OD2-CG 3.34Å; D90-Q148 PolarHBondContact OD2-NE2 3.37Å; D90-R154 IonicContact OD1-NH1 2.68Å; D90-R154 IonicContact OD2-CZ 3.61Å; D90-R154 VanDerWaalsContact OD2-CZ 3.24Å; D90-R154 IonicContact OD2-NH1 3.66Å; D90-R154 PolarHBondContact OD2-NH1 3.27Å; D90-R154 IonicContact OD2-NH2 2.67Å; D90-R154 PolarHBondContact OD2-NH2 3.25Å; D90-M168 WeakPolarHBondContact CA-O 3.5Å; D90-M168 VanDerWaalsContact CB-O 3.3Å; D90-M168 WeakPolarHBondContact CB-O 3.5Å
91P91.6Very high95.5Very high34 Ų3434.7 Ų34.722%0.22118%0.183CC..THydrogen-bonded Turntrans-60.1-21.5-179-26.137.1000114.1R89 S93 L94 I115R89-P91 WeakPolarHBondContact O-CD 3.41Å; P91-S93 PolarHBondContact O-N 2.88Å; P91-L94 WeakPolarHBondContact O-CB 3.49Å; P91-L94 PolarHBondContact O-N 2.79Å; P91-I115 HydrophobicContact CB-CG2 4.32Å; P91-I115 HydrophobicContact CG-CG2 4.11Å
92T90.3Very high95.5Very high50 Ų5038.7 Ų38.731%0.30720%0.197SC..THydrogen-bonded Turntrans-62.3-28.6176.261.70000112.2D90 L94 S95D90-T92 PolarHBondContact O-N 3.03Å; D90-T92 WeakPolarHBondContact OD1-CB 3.5Å; D90-T92 WeakPolarHBondContact OD1-CG2 3.39Å; D90-T92 PolarHBondContact OD1-N 3.25Å; D90-T92 PolarHBondContact OD1-OG1 3.43Å; T92-L94 PolarHBondContact O-N 3.24Å; T92-S95 PolarHBondContact O-N 3.12Å; T92-S95 PolarHBondContact O-OG 2.64Å
93S93Very high95.4Very high2 Ų244.2 Ų44.21%0.01423%0.227CC..Hα-helixtrans-61.9-24.8176.2-67.20000113.6G66 D88 D90 P91 S95 F96 M97G66-S93 WeakPolarHBondContact O-CB 3.49Å; G66-S93 PolarHBondContact O-OG 3.4Å; D88-S93 VanDerWaalsContact CG-OG 3.31Å; D88-S93 PolarHBondContact OD2-OG 2.89Å; D90-S93 VanDerWaalsContact O-CB 3.28Å; D90-S93 WeakPolarHBondContact O-CB 3.44Å; D90-S93 PolarHBondContact O-N 3.03Å; P91-S93 PolarHBondContact O-N 2.88Å; S93-S95 VanDerWaalsContact C-N 3.28Å; S93-S95 PolarHBondContact O-N 3.36Å; S93-F96 WeakPolarHBondContact O-CB 3.39Å; S93-F96 PolarHBondContact O-N 3.09Å; S93-M97 WeakPolarHBondContact O-CG 3.41Å; S93-M97 PolarHBondContact O-N 3.42Å
94L94.8Very high95.3Very high72 Ų7244.7 Ų44.738%0.37723%0.225SC..Hα-helixtrans-56.7-42.2-179.9-177.559.3000112.2P91 T92 F96 M97 E98 P113 I115P91-L94 WeakPolarHBondContact O-CB 3.49Å; P91-L94 PolarHBondContact O-N 2.79Å; T92-L94 PolarHBondContact O-N 3.24Å; L94-F96 VanDerWaalsContact C-N 3.28Å; L94-F96 PolarHBondContact O-N 3.49Å; L94-M97 PolarHBondContact O-N 3.44Å; L94-E98 HydrophobicContact CD1-CG 4.3Å; L94-E98 WeakPolarHBondContact O-CG 3.47Å; L94-E98 PolarHBondContact O-N 3.09Å; L94-P113 HydrophobicContact CD1-CB 3.69Å; L94-P113 HydrophobicContact CD1-CG 4.49Å; L94-I115 HydrophobicContact CB-CD1 3.92Å; L94-I115 HydrophobicContact CB-CG1 4.17Å; L94-I115 HydrophobicContact CD1-CG1 4.33Å
95S94.8Very high94.9Very high69 Ų6948.8 Ų48.848%0.48325%0.254SS..Hα-helixtrans-60.7-37178.366.30000112.8T92 S93 S99T92-S95 PolarHBondContact O-N 3.12Å; T92-S95 PolarHBondContact O-OG 2.64Å; S93-S95 VanDerWaalsContact C-N 3.28Å; S93-S95 PolarHBondContact O-N 3.36Å; S95-S99 WeakPolarHBondContact O-CB 3.29Å; S95-S99 PolarHBondContact O-N 3.21Å; S95-S99 PolarHBondContact O-OG 2.84Å
96F95.6Very high94.5Very high63 Ų6353.8 Ų53.828%0.27629%0.29SS..Hα-helixtrans-74.1-39.7176.8-63.8-82.8000111.1F65 T67 S93 L94 S99 L100 L147F65-F96 HydrophobicContact CE1-CB 3.74Å; T67-F96 HydrophobicContact CG2-CD1 4.49Å; T67-F96 HydrophobicContact CG2-CE1 4.23Å; T67-F96 HydrophobicContact CG2-CE2 4.31Å; T67-F96 HydrophobicContact CG2-CZ 4.14Å; S93-F96 WeakPolarHBondContact O-CB 3.39Å; S93-F96 PolarHBondContact O-N 3.09Å; L94-F96 VanDerWaalsContact C-N 3.28Å; L94-F96 PolarHBondContact O-N 3.49Å; F96-S99 PolarHBondContact O-N 3.43Å; F96-L100 WeakPolarHBondContact O-CB 3.34Å; F96-L100 PolarHBondContact O-N 3.11Å; F96-L147 HydrophobicContact CE2-CD2 3.66Å; F96-L147 HydrophobicContact CZ-CD2 4.19Å
97M96.8Very high94Very high0 Ų054.7 Ų54.70%030%0.297CS..Hα-helixtrans-60.2-46.7175.2-65.4169.9-178.200111.3F65 F86 D88 S93 L94 L100 R101 P113 I115F65-M97 HydrophobicContact CB-CE 3.54Å; F65-M97 HydrophobicContact CD1-CE 3.79Å; F65-M97 HydrophobicContact CD1-CG 3.4Å; F65-M97 VanDerWaalsContact CD1-CG 3.4Å; F65-M97 HydrophobicContact CD1-SD 4.46Å; F65-M97 HydrophobicContact CD2-CG 4.19Å; F65-M97 HydrophobicContact CE1-CB 4.14Å; F65-M97 HydrophobicContact CE1-CG 3.37Å; F65-M97 HydrophobicContact CE2-CG 4.14Å; F65-M97 HydrophobicContact CG-CE 3.76Å; F65-M97 HydrophobicContact CG-CG 3.83Å; F65-M97 HydrophobicContact CZ-CB 4.24Å; F65-M97 HydrophobicContact CZ-CG 3.75Å; F86-M97 HydrophobicContact CB-CE 4.08Å; F86-M97 HydrophobicContact CB-CG 3.97Å; F86-M97 HydrophobicContact CB-SD 4.08Å; F86-M97 HydrophobicContact CD2-CG 4.49Å; F86-M97 VanDerWaalsContact O-CE 3.27Å; F86-M97 WeakPolarHBondContact O-CE 3.38Å; D88-M97 HydrophobicContact CB-CE 3.64Å; S93-M97 WeakPolarHBondContact O-CG 3.41Å; S93-M97 PolarHBondContact O-N 3.42Å; L94-M97 PolarHBondContact O-N 3.44Å; M97-L100 PolarHBondContact O-N 2.91Å; M97-R101 WeakPolarHBondContact O-CB 3.43Å; M97-R101 PolarHBondContact O-N 3.01Å; M97-P113 HydrophobicContact CB-CB 3.9Å; M97-P113 HydrophobicContact CB-CG 4.03Å; M97-P113 HydrophobicContact CG-CB 4.41Å; M97-P113 HydrophobicContact SD-CB 3.68Å; M97-I115 HydrophobicContact CE-CD1 4.16Å; M97-I115 HydrophobicContact SD-CD1 4.14Å
98E97.2Very high93.8Very high87 Ų8760 Ų6041%0.40733%0.325SS..Hα-helixtrans-67.7-39177.8-69.8-62.4170.200112.3L94 L100 R101 K102L94-E98 HydrophobicContact CD1-CG 4.3Å; L94-E98 WeakPolarHBondContact O-CG 3.47Å; L94-E98 PolarHBondContact O-N 3.09Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 2.89Å; E98-R101 PolarHBondContact O-N 3.45Å; E98-K102 WeakPolarHBondContact O-CB 3.33Å; E98-K102 PolarHBondContact O-N 2.92Å
99S96.4Very high93.7Very high64 Ų6460.5 Ų60.545%0.44833%0.327SS..Hα-helixtrans-61.1-44.2173.9-62.50000111.3S95 F96 K102 N103S95-S99 WeakPolarHBondContact O-CB 3.29Å; S95-S99 PolarHBondContact O-N 3.21Å; S95-S99 PolarHBondContact O-OG 2.84Å; F96-S99 PolarHBondContact O-N 3.43Å; S99-K102 PolarHBondContact O-N 3.35Å; S99-N103 PolarHBondContact O-N 3.23Å; S99-N103 PolarHBondContact O-ND2 3.13Å; S99-N103 PolarHBondContact O-OD1 3.1Å
100L95Very high93.8Very high12 Ų1264 Ų646%0.06334%0.343CS..Hα-helixtrans-65.3-42.6177.8-166.465.9000111.3F65 A71 N72 L75 F86 F96 M97 E98 K102 N103 Y104F65-L100 HydrophobicContact CE2-CD2 3.72Å; F65-L100 HydrophobicContact CZ-CB 4.39Å; F65-L100 HydrophobicContact CZ-CD2 3.81Å; A71-L100 HydrophobicContact CB-CD2 3.81Å; N72-L100 HydrophobicContact CB-CD1 3.97Å; N72-L100 WeakPolarHBondContact OD1-CD1 3.38Å; L75-L100 HydrophobicContact CD1-CD1 4.23Å; L75-L100 HydrophobicContact CD1-CD2 3.72Å; L75-L100 HydrophobicContact CD1-CG 3.79Å; F86-L100 HydrophobicContact CE2-CD2 3.84Å; F86-L100 HydrophobicContact CZ-CD2 4.17Å; F96-L100 WeakPolarHBondContact O-CB 3.34Å; F96-L100 PolarHBondContact O-N 3.11Å; M97-L100 PolarHBondContact O-N 2.91Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 2.89Å; L100-K102 VanDerWaalsContact C-N 3.32Å; L100-K102 PolarHBondContact O-N 2.98Å; L100-N103 PolarHBondContact O-N 3.01Å; L100-Y104 HydrophobicContact CD1-CD2 3.95Å; L100-Y104 HydrophobicContact CD1-CE2 3.71Å; L100-Y104 HydrophobicContact CG-CD2 4.32Å; L100-Y104 HydrophobicContact CG-CE2 4.49Å; L100-Y104 WeakPolarHBondContact O-CD2 3.3Å; L100-Y104 PolarHBondContact O-N 2.84Å; L100-Y104 VanDerWaalsContact O-N 3.16Å
101R95.9Very high93.9Very high106 Ų10664.1 Ų64.140%0.434%0.344SS..Hα-helixtrans-57.4-43.7173.7-178.2175.5-174.7172.65.1112.4M97 E98 Y104 S105 I111M97-R101 WeakPolarHBondContact O-CB 3.43Å; M97-R101 PolarHBondContact O-N 3.01Å; E98-R101 PolarHBondContact O-N 3.45Å; R101-Y104 PolarHBondContact O-N 3.16Å; R101-S105 PolarHBondContact O-N 3.13Å; R101-S105 PolarHBondContact O-OG 3.31Å; R101-I111 HydrophobicContact CB-CB 4.17Å; R101-I111 HydrophobicContact CB-CD1 4.28Å; R101-I111 HydrophobicContact CB-CG2 3.96Å; R101-I111 HydrophobicContact CG-CB 4.05Å; R101-I111 HydrophobicContact CG-CG2 4.29Å; R101-I111 PolarHBondContact NH1-O 3.49Å
102K95.8Very high94.2Very high160 Ų16065.2 Ų65.270%0.69634%0.344SS*.Hα-helixtrans-64.2-45.2176-173.7-179.7178.3-177.50111.7E98 S99 L100 Y104 S105E98-K102 WeakPolarHBondContact O-CB 3.33Å; E98-K102 PolarHBondContact O-N 2.92Å; S99-K102 PolarHBondContact O-N 3.35Å; L100-K102 VanDerWaalsContact C-N 3.32Å; L100-K102 PolarHBondContact O-N 2.98Å; K102-Y104 PolarHBondContact O-N 2.86Å; K102-S105 WeakPolarHBondContact CA-OG 3.11Å; K102-S105 WeakPolarHBondContact O-CB 3.43Å; K102-S105 PolarHBondContact O-N 2.85Å; K102-S105 PolarHBondContact O-OG 3.02Å; K102-S105 VanDerWaalsContact O-OG 3.07Å
103N94.5Very high94.5Very high118 Ų11863.9 Ų63.963%0.63134%0.336SS*.Hα-helixtrans-61.3-29.7-178.6-70.2-12.4000113.1S99 L100S99-N103 PolarHBondContact O-N 3.23Å; S99-N103 PolarHBondContact O-ND2 3.13Å; S99-N103 PolarHBondContact O-OD1 3.1Å; L100-N103 PolarHBondContact O-N 3.01Å
104Y94.2Very high94.6Very high38 Ų3864.1 Ų64.115%0.14934%0.337CS..THydrogen-bonded Turntrans-10720.6-179.6-74.5-92.8000114.3N72 L75 L100 R101 K102 S106 S107 H109N72-Y104 PolarHBondContact O-OH 3.42Å; N72-Y104 PolarHBondContact OD1-OH 3.18Å; L75-Y104 HydrophobicContact CB-CD1 4.2Å; L75-Y104 HydrophobicContact CB-CE1 3.8Å; L75-Y104 HydrophobicContact CB-CE2 4.23Å; L75-Y104 HydrophobicContact CD1-CD2 3.89Å; L75-Y104 HydrophobicContact CD1-CE2 4.04Å; L75-Y104 HydrophobicContact CD1-CG 4.21Å; L100-Y104 HydrophobicContact CD1-CD2 3.95Å; L100-Y104 HydrophobicContact CD1-CE2 3.71Å; L100-Y104 HydrophobicContact CG-CD2 4.32Å; L100-Y104 HydrophobicContact CG-CE2 4.49Å; L100-Y104 WeakPolarHBondContact O-CD2 3.3Å; L100-Y104 PolarHBondContact O-N 2.84Å; L100-Y104 VanDerWaalsContact O-N 3.16Å; R101-Y104 PolarHBondContact O-N 3.16Å; K102-Y104 PolarHBondContact O-N 2.86Å; Y104-S106 PolarHBondContact O-N 3.29Å; Y104-S106 VanDerWaalsContact O-N 3.15Å; Y104-S107 PolarHBondContact O-N 2.93Å; Y104-S107 VanDerWaalsContact O-N 3.09Å; Y104-H109 AromaticContact CD1-CD2 3.84Å; Y104-H109 AromaticContact CD1-NE2 3.87Å
105S89.5Confident94.6Very high86 Ų8663.3 Ų63.360%0.60133%0.332SS*.G310 helixtrans-62-23.3-178-68.20000114R101 K102R101-S105 PolarHBondContact O-N 3.13Å; R101-S105 PolarHBondContact O-OG 3.31Å; K102-S105 WeakPolarHBondContact CA-OG 3.11Å; K102-S105 WeakPolarHBondContact O-CB 3.43Å; K102-S105 PolarHBondContact O-N 2.85Å; K102-S105 PolarHBondContact O-OG 3.02Å; K102-S105 VanDerWaalsContact O-OG 3.07Å
106S89.7Confident94.6Very high114 Ų11460.5 Ų60.580%0.79732%0.315SS*.G310 helixtrans-80.9-15.6176.753.20000114.6Y104 N108Y104-S106 PolarHBondContact O-N 3.29Å; Y104-S106 VanDerWaalsContact O-N 3.15Å; S106-N108 VanDerWaalsContact C-N 3.32Å; S106-N108 PolarHBondContact O-N 3.17Å
107S88.6Confident94.4Very high19 Ų1961.5 Ų61.513%0.13332%0.317CS..G310 helixtrans-89.89-174-71.10000114.1D80 N81 Y104 H109D80-S107 WeakPolarHBondContact CA-O 3.48Å; D80-S107 VanDerWaalsContact CB-O 3.29Å; D80-S107 WeakPolarHBondContact CB-O 3.27Å; D80-S107 WeakPolarHBondContact OD1-CA 3.32Å; D80-S107 WeakPolarHBondContact OD1-CB 3.3Å; D80-S107 PolarHBondContact OD1-OG 3.07Å; N81-S107 PolarHBondContact N-O 3.09Å; Y104-S107 PolarHBondContact O-N 2.93Å; Y104-S107 VanDerWaalsContact O-N 3.09Å; S107-H109 PolarHBondContact O-N 3.37Å; S107-H109 VanDerWaalsContact O-N 3.07Å
108N92.9Very high94.1Very high110 Ų11062.6 Ų62.659%0.58832%0.321SS*.THydrogen-bonded Turntrans52.130.7-177.3-165.340.6000113.6N81 S106N81-N108 WeakPolarHBondContact OD1-CB 3.48Å; N81-N108 PolarHBondContact OD1-ND2 3.14Å; S106-N108 VanDerWaalsContact C-N 3.32Å; S106-N108 PolarHBondContact O-N 3.17Å
109H94.5Very high93.6Very high26 Ų2660.4 Ų60.412%0.1232%0.316CS..  trans-72140.5173.1-65.9-29.8000111.3L75 G79 N81 L82 Y104 S107 I111L75-H109 VanDerWaalsContact CD2-CD2 3.43Å; L75-H109 WeakPolarHBondContact CD2-CD2 3.42Å; G79-H109 PolarHBondContact O-CE1 3.03Å; N81-H109 PolarHBondContact N-ND1 2.89Å; L82-H109 PolarHBondContact N-ND1 2.9Å; L82-H109 VanDerWaalsContact N-ND1 3.14Å; L82-H109 WeakPolarHBondContact O-CA 3.45Å; Y104-H109 AromaticContact CD1-CD2 3.84Å; Y104-H109 AromaticContact CD1-NE2 3.87Å; S107-H109 PolarHBondContact O-N 3.37Å; S107-H109 VanDerWaalsContact O-N 3.07Å; H109-I111 HydrophobicContact CB-CD1 4Å; H109-I111 HydrophobicContact CB-CG1 4.05Å
110K95.1Very high93.3Very high115 Ų11559.4 Ų59.450%0.531%0.305SS..EExtended strand (participates in β ladder)trans-10095168-66.6178.4-177.8176.70108.1L82 T83 C84 Y112L82-K110 PolarHBondContact O-N 2.69Å; T83-K110 CarbonylContact C-O 3.55Å; T83-K110 WeakPolarHBondContact CA-O 3.46Å; T83-K110 HydrophobicContact CG2-CB 4.15Å; C84-K110 PolarHBondContact N-O 2.87Å; K110-Y112 HydrophobicContact CB-CE2 3.88Å
111I96.1Very high92.9Very high2 Ų258.9 Ų58.91%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-101.7125.6-179.7-68.7161.9000109.6L75 C84 F86 R101 H109L75-I111 HydrophobicContact CD1-CD1 4.2Å; C84-I111 HydrophobicContact CB-CG1 4.04Å; C84-I111 CarbonylContact O-C 3.55Å; C84-I111 WeakPolarHBondContact O-CA 3.32Å; F86-I111 HydrophobicContact CD2-CG2 3.49Å; F86-I111 VanDerWaalsContact CD2-CG2 3.49Å; F86-I111 HydrophobicContact CE2-CB 4.32Å; F86-I111 HydrophobicContact CE2-CD1 4.23Å; F86-I111 HydrophobicContact CE2-CG1 4Å; F86-I111 HydrophobicContact CE2-CG2 3.39Å; F86-I111 HydrophobicContact CZ-CG1 4.35Å; F86-I111 HydrophobicContact CZ-CG2 4.39Å; R101-I111 HydrophobicContact CB-CB 4.17Å; R101-I111 HydrophobicContact CB-CD1 4.28Å; R101-I111 HydrophobicContact CB-CG2 3.96Å; R101-I111 HydrophobicContact CG-CB 4.05Å; R101-I111 HydrophobicContact CG-CG2 4.29Å; R101-I111 PolarHBondContact NH1-O 3.49Å; H109-I111 HydrophobicContact CB-CD1 4Å; H109-I111 HydrophobicContact CB-CG1 4.05Å
112Y96.4Very high92.5Very high57 Ų5757 Ų5722%0.22431%0.305CS..EExtended strand (participates in β ladder)trans-120.2102.3-178.6-56.2-64.1000110.2T83 C84 Y85 F86 K110 Y128T83-Y112 HydrophobicContact CG2-CD2 4.37Å; T83-Y112 HydrophobicContact CG2-CE2 3.82Å; C84-Y112 PolarHBondContact O-N 3.43Å; Y85-Y112 AromaticContact CD1-CD2 3.8Å; Y85-Y112 HydrophobicContact CD1-CD2 3.8Å; Y85-Y112 HydrophobicContact CD1-CG 4.21Å; Y85-Y112 AromaticContact CE1-CD2 3.42Å; Y85-Y112 HydrophobicContact CE1-CD2 3.42Å; Y85-Y112 VanDerWaalsContact CE1-CD2 3.42Å; Y85-Y112 HydrophobicContact CE1-CE2 4.09Å; Y85-Y112 HydrophobicContact CE1-CG 4.06Å; Y85-Y112 HydrophobicContact CE2-CD2 4.38Å; Y85-Y112 HydrophobicContact CG-CD2 4.43Å; Y85-Y112 AromaticContact CZ-CD2 3.76Å; F86-Y112 PolarHBondContact N-O 2.97Å; K110-Y112 HydrophobicContact CB-CE2 3.88Å; Y112-Y128 AromaticContact CD1-CD1 3.72Å; Y112-Y128 HydrophobicContact CD1-CD1 3.72Å; Y112-Y128 AromaticContact CD1-CE1 3.33Å; Y112-Y128 HydrophobicContact CD1-CE1 3.33Å; Y112-Y128 HydrophobicContact CD2-CD1 4.2Å; Y112-Y128 HydrophobicContact CD2-CE1 4.5Å; Y112-Y128 AromaticContact CE1-CD1 3.99Å; Y112-Y128 HydrophobicContact CE1-CD1 3.99Å; Y112-Y128 AromaticContact CE1-CE1 3.91Å; Y112-Y128 HydrophobicContact CE1-CE1 3.91Å; Y112-Y128 HydrophobicContact CE2-CD1 4.46Å; Y112-Y128 AromaticContact CG-CD1 3.8Å; Y112-Y128 HydrophobicContact CG-CD1 3.8Å; Y112-Y128 AromaticContact CG-CE1 3.66Å; Y112-Y128 HydrophobicContact CG-CE1 3.66Å
113P97.1Very high92.1Very high21 Ų2156.4 Ų56.414%0.13630%0.304CS..EExtended strand (participates in β ladder)trans-70.1131.1172.4-19.234.3000110.9L94 M97L94-P113 HydrophobicContact CD1-CB 3.69Å; L94-P113 HydrophobicContact CD1-CG 4.49Å; M97-P113 HydrophobicContact CB-CB 3.9Å; M97-P113 HydrophobicContact CB-CG 4.03Å; M97-P113 HydrophobicContact CG-CB 4.41Å; M97-P113 HydrophobicContact SD-CB 3.68Å
114L95.9Very high91.9Very high7 Ų753.2 Ų53.24%0.03729%0.287CS..EExtended strand (participates in β ladder)trans-130.2123178.9-55.6176.4000108.3Y85 F86 L87 D88 L121 L124 L125 Y128Y85-L114 HydrophobicContact CD1-CD1 4.21Å; F86-L114 PolarHBondContact O-N 3.44Å; L87-L114 VanDerWaalsContact CA-O 3.29Å; L87-L114 WeakPolarHBondContact CA-O 3.28Å; L87-L114 HydrophobicContact CB-CB 4.47Å; L87-L114 HydrophobicContact CD1-CB 3.84Å; D88-L114 PolarHBondContact N-O 2.93Å; D88-L114 VanDerWaalsContact N-O 3.12Å; L114-L121 HydrophobicContact CD1-CD1 3.88Å; L114-L124 HydrophobicContact CB-CD1 4.37Å; L114-L124 HydrophobicContact CD2-CB 4.36Å; L114-L125 HydrophobicContact CD1-CD2 3.88Å; L114-Y128 HydrophobicContact CD2-CE2 3.85Å
115I95Very high91.7Very high55 Ų5552.3 Ų52.328%0.28228%0.284SS..EExtended strand (participates in β ladder)trans-106.3113.9177.1-59.8-59.1000109.7D88 P91 L94 M97D88-I115 CarbonylContact O-C 3.55Å; D88-I115 VanDerWaalsContact O-CA 3.28Å; D88-I115 WeakPolarHBondContact O-CA 3.29Å; P91-I115 HydrophobicContact CB-CG2 4.32Å; P91-I115 HydrophobicContact CG-CG2 4.11Å; L94-I115 HydrophobicContact CB-CD1 3.92Å; L94-I115 HydrophobicContact CB-CG1 4.17Å; L94-I115 HydrophobicContact CD1-CG1 4.33Å; M97-I115 HydrophobicContact CE-CD1 4.16Å; M97-I115 HydrophobicContact SD-CD1 4.14Å
116G93.3Very high91.5Very high11 Ų1154.2 Ų54.211%0.11329%0.288CS..SBendtrans166.6177.8179.200000113L87 D88 R89L87-G116 WeakPolarHBondContact CD1-O 3.19Å; D88-G116 CarbonylContact C-O 3.6Å; D88-G116 VanDerWaalsContact C-O 3.26Å; D88-G116 PolarHBondContact O-N 3.38Å; R89-G116 VanDerWaalsContact CA-O 3.22Å; R89-G116 WeakPolarHBondContact CA-O 3.46Å; R89-G116 WeakPolarHBondContact CB-O 3.27Å; R89-G116 PolarHBondContact N-O 3.07Å; R89-G116 VanDerWaalsContact N-O 3.16Å
117R92.4Very high91.1Very high83 Ų8352.3 Ų52.331%0.31329%0.286SS..  trans-82.7176.6176.5-55.8165.1-69.8176.13110.6R89 S119 D120 L121 E267R89-R117 HydrophobicContact CB-CG 4.07Å; R117-S119 VanDerWaalsContact C-N 3.26Å; R117-S119 PolarHBondContact O-N 3.23Å; R117-D120 WeakPolarHBondContact CB-OD2 3.31Å; R117-D120 IonicContact CZ-OD1 3.5Å; R117-D120 IonicContact CZ-OD2 3.4Å; R117-D120 PolarHBondContact N-OD2 3.16Å; R117-D120 IonicContact NE-OD1 3.79Å; R117-D120 IonicContact NE-OD2 2.81Å; R117-D120 PolarHBondContact NE-OD2 3.23Å; R117-D120 IonicContact NH2-OD1 3.82Å; R117-D120 PolarHBondContact NH2-OD1 3.5Å; R117-D120 IonicContact NH2-OD2 2.96Å; R117-D120 PolarHBondContact O-N 3.35Å; R117-D120 VanDerWaalsContact O-N 3.14Å; R117-L121 PolarHBondContact O-N 2.96Å; R117-E267 HydrophobicContact CB-CG 4.39Å; R117-E267 VanDerWaalsContact CB-OE2 3.31Å; R117-E267 WeakPolarHBondContact CB-OE2 3.25Å
118F89.6Confident90.9Very high23 Ų2355.4 Ų55.410%0.10130%0.296CS..G310 helixtrans-63.5-40.1177.8-58.8-5.4000109.9M63 T64 L87 D120 L121 M140 L142 E267 L274M63-F118 HydrophobicContact CB-CD1 4.32Å; M63-F118 HydrophobicContact CB-CE1 3.96Å; M63-F118 HydrophobicContact CB-CZ 4.35Å; M63-F118 HydrophobicContact CE-CB 3.81Å; M63-F118 HydrophobicContact CE-CD1 3.73Å; M63-F118 HydrophobicContact CE-CD2 4.1Å; M63-F118 HydrophobicContact CE-CE1 4.38Å; M63-F118 HydrophobicContact CE-CG 3.6Å; M63-F118 WeakPolarHBondContact O-CE1 3.29Å; T64-F118 HydrophobicContact CG2-CE1 3.89Å; T64-F118 HydrophobicContact CG2-CZ 3.64Å; L87-F118 HydrophobicContact CD2-CD1 3.94Å; F118-D120 PolarHBondContact O-N 2.91Å; F118-L121 WeakPolarHBondContact O-CB 3.46Å; F118-L121 PolarHBondContact O-N 2.8Å; F118-L121 VanDerWaalsContact O-N 3.12Å; F118-M140 HydrophobicContact CE2-SD 4.44Å; F118-L142 HydrophobicContact CE2-CD2 4.33Å; F118-L142 HydrophobicContact CZ-CD2 4.38Å; F118-E267 WeakPolarHBondContact CB-OE2 3.45Å; F118-E267 HydrophobicContact CD2-CB 4.4Å; F118-E267 WeakPolarHBondContact CD2-O 3.36Å; F118-E267 PolarHBondContact N-OE2 3.01Å; F118-L274 WeakPolarHBondContact O-CD1 3.23Å
119S87.8Confident90.1Very high41 Ų4157.3 Ų57.329%0.28731%0.306SS..G310 helixtrans-62.1-24.5175.557.50000114.9R117 E267R117-S119 VanDerWaalsContact C-N 3.26Å; R117-S119 PolarHBondContact O-N 3.23Å; S119-E267 WeakPolarHBondContact CB-OE1 3.32Å; S119-E267 PolarHBondContact N-OE2 3.3Å; S119-E267 PolarHBondContact OG-OE1 3.15Å; S119-E267 PolarHBondContact OG-OE2 2.77Å
120D89.1Confident89.6Confident43 Ų4357.6 Ų57.623%0.2331%0.308CS..G310 helixtrans-83.6-15.8178.7-53.1-48.2000111.6R117 F118 Q123 L124R117-D120 WeakPolarHBondContact CB-OD2 3.31Å; R117-D120 IonicContact CZ-OD1 3.5Å; R117-D120 IonicContact CZ-OD2 3.4Å; R117-D120 PolarHBondContact N-OD2 3.16Å; R117-D120 IonicContact NE-OD1 3.79Å; R117-D120 IonicContact NE-OD2 2.81Å; R117-D120 PolarHBondContact NE-OD2 3.23Å; R117-D120 IonicContact NH2-OD1 3.82Å; R117-D120 PolarHBondContact NH2-OD1 3.5Å; R117-D120 IonicContact NH2-OD2 2.96Å; R117-D120 PolarHBondContact O-N 3.35Å; R117-D120 VanDerWaalsContact O-N 3.14Å; F118-D120 PolarHBondContact O-N 2.91Å; D120-Q123 PolarHBondContact O-N 3.12Å; D120-Q123 VanDerWaalsContact O-N 3.12Å; D120-L124 HydrophobicContact CB-CD1 3.98Å; D120-L124 HydrophobicContact CB-CG 4.36Å; D120-L124 WeakPolarHBondContact O-CG 3.32Å; D120-L124 PolarHBondContact O-N 3.16Å
121L88.3Confident89Confident1 Ų159.6 Ų59.61%0.00532%0.316CS..Hα-helixtrans-55.8-44.5-172.4-177.865.3000114.4L61 M63 L87 L114 R117 F118 Q123 L124 L125 L274 L278L61-L121 HydrophobicContact CD1-CD1 4.43Å; L61-L121 HydrophobicContact CD2-CD2 3.82Å; M63-L121 HydrophobicContact CE-CD2 3.97Å; M63-L121 HydrophobicContact SD-CD2 4.46Å; L87-L121 HydrophobicContact CD1-CD1 4.38Å; L87-L121 HydrophobicContact CD2-CB 4.37Å; L87-L121 HydrophobicContact CD2-CD1 4.24Å; L114-L121 HydrophobicContact CD1-CD1 3.88Å; R117-L121 PolarHBondContact O-N 2.96Å; F118-L121 WeakPolarHBondContact O-CB 3.46Å; F118-L121 PolarHBondContact O-N 2.8Å; F118-L121 VanDerWaalsContact O-N 3.12Å; L121-Q123 VanDerWaalsContact C-N 3.26Å; L121-Q123 PolarHBondContact O-N 2.81Å; L121-L124 PolarHBondContact O-N 2.96Å; L121-L125 HydrophobicContact CD1-CD1 3.75Å; L121-L125 HydrophobicContact CD1-CD2 4.26Å; L121-L125 HydrophobicContact CD1-CG 3.74Å; L121-L125 HydrophobicContact CD2-CD1 4.29Å; L121-L125 HydrophobicContact CG-CD1 3.7Å; L121-L125 HydrophobicContact CG-CG 4.15Å; L121-L125 WeakPolarHBondContact O-CB 3.22Å; L121-L125 WeakPolarHBondContact O-CG 3.12Å; L121-L125 PolarHBondContact O-N 2.9Å; L121-L274 HydrophobicContact CB-CD1 4.21Å; L121-L274 HydrophobicContact CD2-CD1 4.31Å; L121-L278 HydrophobicContact CD2-CD1 3.95Å
122P86.2Confident88.6Confident68 Ų6867.3 Ų67.344%0.44235%0.347SS..Hα-helixtrans-57.3-40.1177.8-26.636.5000113N126 L274P122-N126 PolarHBondContact O-OD1 3.31Å; P122-L274 HydrophobicContact CG-CD2 3.74Å
123Q88.4Confident88.4Confident146 Ų14669.5 Ų69.568%0.68236%0.359SS*.Hα-helixtrans-72.4-41.9177.2-179179.1-10.300111.4D120 L121 L125 N126D120-Q123 PolarHBondContact O-N 3.12Å; D120-Q123 VanDerWaalsContact O-N 3.12Å; L121-Q123 VanDerWaalsContact C-N 3.26Å; L121-Q123 PolarHBondContact O-N 2.81Å; Q123-L125 PolarHBondContact O-N 3.48Å; Q123-N126 VanDerWaalsContact O-CB 3.24Å; Q123-N126 WeakPolarHBondContact O-CB 3.46Å; Q123-N126 PolarHBondContact O-N 3.33Å; Q123-N126 VanDerWaalsContact O-N 3.11Å
124L90Very high88.3Confident52 Ų5270.2 Ų70.227%0.27237%0.365SS..Hα-helixtrans-63.9-29.3179.2-70.2171.7000112.7L87 L114 D120 L121 N126 Y128L87-L124 HydrophobicContact CD1-CD1 3.73Å; L114-L124 HydrophobicContact CB-CD1 4.37Å; L114-L124 HydrophobicContact CD2-CB 4.36Å; D120-L124 HydrophobicContact CB-CD1 3.98Å; D120-L124 HydrophobicContact CB-CG 4.36Å; D120-L124 WeakPolarHBondContact O-CG 3.32Å; D120-L124 PolarHBondContact O-N 3.16Å; L121-L124 PolarHBondContact O-N 2.96Å; L124-N126 VanDerWaalsContact C-N 3.3Å; L124-Y128 WeakPolarHBondContact O-CD2 3.44Å; L124-Y128 VanDerWaalsContact O-CE2 3.26Å; L124-Y128 WeakPolarHBondContact O-CE2 3.23Å
125L89Confident88.3Confident19 Ų1969.9 Ų69.910%0.09936%0.363CS..THydrogen-bonded Turntrans-80.3-7.3176.3-70.2172000113.8Y85 L114 L121 Q123 G127 Y128 L130 L278Y85-L125 HydrophobicContact CD1-CD2 3.65Å; Y85-L125 HydrophobicContact CE1-CD2 3.86Å; Y85-L125 HydrophobicContact CG-CD2 4.31Å; L114-L125 HydrophobicContact CD1-CD2 3.88Å; L121-L125 HydrophobicContact CD1-CD1 3.75Å; L121-L125 HydrophobicContact CD1-CD2 4.26Å; L121-L125 HydrophobicContact CD1-CG 3.74Å; L121-L125 HydrophobicContact CD2-CD1 4.29Å; L121-L125 HydrophobicContact CG-CD1 3.7Å; L121-L125 HydrophobicContact CG-CG 4.15Å; L121-L125 WeakPolarHBondContact O-CB 3.22Å; L121-L125 WeakPolarHBondContact O-CG 3.12Å; L121-L125 PolarHBondContact O-N 2.9Å; Q123-L125 PolarHBondContact O-N 3.48Å; L125-G127 PolarHBondContact O-N 3.45Å; L125-G127 VanDerWaalsContact O-N 3.16Å; L125-Y128 PolarHBondContact O-N 3.1Å; L125-L130 HydrophobicContact CD1-CD2 3.78Å; L125-L130 HydrophobicContact CD2-CD2 3.97Å; L125-L278 HydrophobicContact CD1-CD1 4.42Å
126N85.9Confident88.5Confident125 Ų12568 Ų6867%0.66835%0.353SS*.THydrogen-bonded Turntrans-59.5121.8175.9-75.8-24.1000110.1P122 Q123 L124P122-N126 PolarHBondContact O-OD1 3.31Å; Q123-N126 VanDerWaalsContact O-CB 3.24Å; Q123-N126 WeakPolarHBondContact O-CB 3.46Å; Q123-N126 PolarHBondContact O-N 3.33Å; Q123-N126 VanDerWaalsContact O-N 3.11Å; L124-N126 VanDerWaalsContact C-N 3.3Å
127G82.3Confident88.8Confident74 Ų7467.7 Ų67.776%0.76335%0.349SS*.THydrogen-bonded Turntrans97.4-12.8-177.800000115.1L125L125-G127 PolarHBondContact O-N 3.45Å; L125-G127 VanDerWaalsContact O-N 3.16Å
128Y84.4Confident89.1Confident85 Ų8563.8 Ų63.833%0.33333%0.334SS..SBendtrans-85.9-1.7177.9-69.9-82.8000114.3Y85 Y112 L114 L124 L125 L130Y85-Y128 HydrophobicContact CE1-CD1 4.09Å; Y85-Y128 HydrophobicContact CE1-CG 4.04Å; Y112-Y128 AromaticContact CD1-CD1 3.72Å; Y112-Y128 HydrophobicContact CD1-CD1 3.72Å; Y112-Y128 AromaticContact CD1-CE1 3.33Å; Y112-Y128 HydrophobicContact CD1-CE1 3.33Å; Y112-Y128 HydrophobicContact CD2-CD1 4.2Å; Y112-Y128 HydrophobicContact CD2-CE1 4.5Å; Y112-Y128 AromaticContact CE1-CD1 3.99Å; Y112-Y128 HydrophobicContact CE1-CD1 3.99Å; Y112-Y128 AromaticContact CE1-CE1 3.91Å; Y112-Y128 HydrophobicContact CE1-CE1 3.91Å; Y112-Y128 HydrophobicContact CE2-CD1 4.46Å; Y112-Y128 AromaticContact CG-CD1 3.8Å; Y112-Y128 HydrophobicContact CG-CD1 3.8Å; Y112-Y128 AromaticContact CG-CE1 3.66Å; Y112-Y128 HydrophobicContact CG-CE1 3.66Å; L114-Y128 HydrophobicContact CD2-CE2 3.85Å; L124-Y128 WeakPolarHBondContact O-CD2 3.44Å; L124-Y128 VanDerWaalsContact O-CE2 3.26Å; L124-Y128 WeakPolarHBondContact O-CE2 3.23Å; L125-Y128 PolarHBondContact O-N 3.1Å; Y128-L130 PolarHBondContact O-N 2.88Å
129N74.7Confident89.5Confident150 Ų15062.7 Ų62.780%0.80233%0.329SS*.  trans52.822.8-177.6-71.8-24.9000114.6K131N129-K131 PolarHBondContact O-N 3.47Å
130L84.5Confident90Very high31 Ų3160.7 Ų60.716%0.16232%0.316CS..PPolyproline II helixtrans-66.5119.7174-171.966000108.7V59 Y85 L125 Y128 S134 V135 L278V59-L130 HydrophobicContact CG1-CD1 3.96Å; Y85-L130 HydrophobicContact CD2-CD2 4.45Å; Y85-L130 HydrophobicContact CE2-CD1 3.74Å; Y85-L130 HydrophobicContact CE2-CD2 4.22Å; Y85-L130 HydrophobicContact CE2-CG 4.45Å; L125-L130 HydrophobicContact CD1-CD2 3.78Å; L125-L130 HydrophobicContact CD2-CD2 3.97Å; Y128-L130 PolarHBondContact O-N 2.88Å; L130-S134 WeakPolarHBondContact CD1-OG 3.44Å; L130-V135 HydrophobicContact CD1-CG2 4.06Å; L130-V135 HydrophobicContact CD2-CG2 3.99Å; L130-V135 HydrophobicContact CG-CG2 4.41Å; L130-L278 HydrophobicContact CD2-CD2 4.22Å
131K83.7Confident90.4Very high157 Ų15760.1 Ų60.168%0.68331%0.312SS*.PPolyproline II helixtrans-86.2159.1-176.5-62.2-176.6-178.7179.20110.1N129 S134N129-K131 PolarHBondContact O-N 3.47Å; K131-S134 PolarHBondContact N-OG 2.73Å; K131-S134 PolarHBondContact O-OG 2.95Å
132Y86.2Confident90.8Very high165 Ų16560.5 Ų60.565%0.64731%0.314SS*.THydrogen-bonded Turntrans-60.7143.4167.5-53.7-32.7000109.9S134 F277Y132-S134 VanDerWaalsContact C-N 3.26Å; Y132-S134 PolarHBondContact O-N 2.88Å; Y132-F277 AromaticContact CD1-CD1 3.97Å; Y132-F277 HydrophobicContact CD1-CD1 3.97Å; Y132-F277 AromaticContact CD1-CE1 3.11Å; Y132-F277 HydrophobicContact CD1-CE1 3.11Å; Y132-F277 HydrophobicContact CD1-CE2 4.22Å; Y132-F277 AromaticContact CD1-CZ 3.26Å; Y132-F277 HydrophobicContact CD1-CZ 3.26Å; Y132-F277 HydrophobicContact CD2-CE2 4.44Å; Y132-F277 AromaticContact CD2-CZ 3.9Å; Y132-F277 HydrophobicContact CD2-CZ 3.9Å; Y132-F277 HydrophobicContact CE1-CD1 4.24Å; Y132-F277 AromaticContact CE1-CE1 3.06Å; Y132-F277 HydrophobicContact CE1-CE1 3.06Å; Y132-F277 HydrophobicContact CE1-CE2 4.41Å; Y132-F277 AromaticContact CE1-CZ 3.17Å; Y132-F277 HydrophobicContact CE1-CZ 3.17Å; Y132-F277 HydrophobicContact CE2-CE1 4.49Å; Y132-F277 AromaticContact CE2-CZ 3.77Å; Y132-F277 HydrophobicContact CE2-CZ 3.77Å; Y132-F277 AromaticContact CG-CE1 3.93Å; Y132-F277 HydrophobicContact CG-CE1 3.93Å; Y132-F277 HydrophobicContact CG-CE2 4.24Å; Y132-F277 AromaticContact CG-CZ 3.64Å; Y132-F277 HydrophobicContact CG-CZ 3.64Å; Y132-F277 AromaticContact CZ-CE1 3.78Å; Y132-F277 AromaticContact CZ-CZ 3.39Å
133Q92Very high90.9Very high103 Ų10358.3 Ų58.348%0.48131%0.305SS..THydrogen-bonded Turntrans52.441.5179.4-60.9-178.844.800113.7F277 L278 K280Q133-F277 PolarHBondContact N-O 3.31Å; Q133-L278 CarbonylContact C-O 3.59Å; Q133-L278 VanDerWaalsContact CA-O 3.27Å; Q133-L278 WeakPolarHBondContact CA-O 3.3Å; Q133-L278 PolarHBondContact N-O 2.97Å; Q133-K280 WeakPolarHBondContact O-CA 3.34Å; Q133-K280 WeakPolarHBondContact O-CB 3.49Å
134S94.8Very high91Very high36 Ų3653 Ų5325%0.25228%0.282SS..  trans-120.21.5179.277.80000114.4L130 K131 Y132 L278L130-S134 WeakPolarHBondContact CD1-OG 3.44Å; K131-S134 PolarHBondContact N-OG 2.73Å; K131-S134 PolarHBondContact O-OG 2.95Å; Y132-S134 VanDerWaalsContact C-N 3.26Å; Y132-S134 PolarHBondContact O-N 2.88Å; S134-L278 PolarHBondContact N-O 3.15Å
135V97.6Very high91Very high0 Ų051.7 Ų51.70%028%0.277CS..EExtended strand (participates in β ladder)trans-91.2134.4177.4-176.40000110V59 L61 L130 L137 I138 L278 L279 K280V59-V135 HydrophobicContact CG1-CB 4.48Å; V59-V135 HydrophobicContact CG1-CG1 4.43Å; V59-V135 HydrophobicContact CG1-CG2 4.12Å; L61-V135 HydrophobicContact CB-CG1 4.15Å; L130-V135 HydrophobicContact CD1-CG2 4.06Å; L130-V135 HydrophobicContact CD2-CG2 3.99Å; L130-V135 HydrophobicContact CG-CG2 4.41Å; V135-L137 WeakPolarHBondContact CG1-O 3.42Å; V135-I138 HydrophobicContact CB-CG1 4.45Å; V135-I138 HydrophobicContact CG1-CD1 4.25Å; V135-I138 HydrophobicContact CG1-CG1 3.63Å; V135-L278 WeakPolarHBondContact CB-O 3.28Å; V135-L278 HydrophobicContact CG2-CB 4.01Å; V135-L278 PolarHBondContact N-O 2.96Å; V135-L279 HydrophobicContact CB-CD2 4.27Å; V135-L279 HydrophobicContact CG1-CD2 4.13Å; V135-L279 WeakPolarHBondContact O-CA 3.43Å; V135-L279 WeakPolarHBondContact O-CD2 3.41Å; V135-K280 PolarHBondContact O-N 2.95Å
136D98.5Very high90.8Very high14 Ų1451.3 Ų51.38%0.07528%0.276CS..EExtended strand (participates in β ladder)trans-86.1-37.9178.2-73.5-98.7000112.8Q58 V59 K280 G283 Y284Q58-D136 WeakPolarHBondContact CA-OD2 3.38Å; Q58-D136 HydrophobicContact CB-CB 3.82Å; Q58-D136 HydrophobicContact CG-CB 4.01Å; Q58-D136 VanDerWaalsContact CG-CG 3.5Å; Q58-D136 WeakPolarHBondContact CG-OD1 3.31Å; Q58-D136 PolarHBondContact NE2-OD1 3.34Å; V59-D136 PolarHBondContact N-OD2 2.95Å; V59-D136 WeakPolarHBondContact O-CB 3.44Å; V59-D136 PolarHBondContact O-N 3.49Å; D136-K280 WeakPolarHBondContact OD1-CE 3.35Å; D136-K280 IonicContact OD1-NZ 3.71Å; D136-K280 PolarHBondContact OD1-NZ 3.16Å; D136-K280 IonicContact OD2-NZ 2.65Å; D136-G283 CarbonylContact O-C 3.58Å; D136-G283 WeakPolarHBondContact O-CA 3.42Å; D136-Y284 PolarHBondContact O-N 3.17Å
137L98.7Very high90.8Very high6 Ų645.8 Ų45.83%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-143.6128.6-174.6174.762.1000110T52 P54 V59 Y60 L61 I74 V135 Y284 V286T52-L137 HydrophobicContact CG2-CD1 3.82Å; P54-L137 HydrophobicContact CG-CD2 4.07Å; V59-L137 PolarHBondContact O-N 3.46Å; Y60-L137 WeakPolarHBondContact CA-O 3.37Å; Y60-L137 HydrophobicContact CD2-CB 3.95Å; Y60-L137 HydrophobicContact CD2-CD2 3.74Å; Y60-L137 HydrophobicContact CD2-CG 3.65Å; Y60-L137 WeakPolarHBondContact CD2-O 3.39Å; Y60-L137 HydrophobicContact CE2-CD2 3.92Å; Y60-L137 HydrophobicContact CE2-CG 3.88Å; L61-L137 PolarHBondContact N-O 3.02Å; I74-L137 HydrophobicContact CD1-CD2 3.83Å; I74-L137 HydrophobicContact CG1-CD2 4.49Å; V135-L137 WeakPolarHBondContact CG1-O 3.42Å; L137-Y284 CarbonylContact C-O 3.48Å; L137-Y284 WeakPolarHBondContact CA-O 3.34Å; L137-V286 HydrophobicContact CD1-CG2 3.66Å
138I98.7Very high91.3Very high0 Ų042.5 Ų42.50%021%0.211CC..EExtended strand (participates in β ladder)trans-117.9134.1168.4-64.5-179.7000108.7L61 M63 V135 M140 A275 L278 L279 Y284 L285 V286L61-I138 HydrophobicContact CB-CG1 4.16Å; L61-I138 HydrophobicContact CD2-CD1 4.09Å; L61-I138 HydrophobicContact CD2-CG1 4.19Å; L61-I138 HydrophobicContact CG-CG1 4.47Å; L61-I138 VanDerWaalsContact O-CA 3.28Å; L61-I138 WeakPolarHBondContact O-CA 3.42Å; M63-I138 HydrophobicContact CG-CG2 3.99Å; M63-I138 HydrophobicContact SD-CG2 3.71Å; V135-I138 HydrophobicContact CB-CG1 4.45Å; V135-I138 HydrophobicContact CG1-CD1 4.25Å; V135-I138 HydrophobicContact CG1-CG1 3.63Å; I138-M140 HydrophobicContact CG2-CE 4.11Å; I138-A275 HydrophobicContact CD1-CB 3.84Å; I138-A275 HydrophobicContact CG2-CB 4.28Å; I138-L278 HydrophobicContact CD1-CB 4.13Å; I138-L279 HydrophobicContact CB-CD1 4.48Å; I138-L279 HydrophobicContact CB-CD2 4.33Å; I138-L279 HydrophobicContact CB-CG 4.49Å; I138-L279 HydrophobicContact CD1-CD1 4.24Å; I138-L279 HydrophobicContact CD1-CD2 4.05Å; I138-L279 HydrophobicContact CD1-CG 3.66Å; I138-L279 HydrophobicContact CG1-CD1 4.43Å; I138-L279 HydrophobicContact CG1-CD2 3.76Å; I138-L279 HydrophobicContact CG1-CG 3.93Å; I138-Y284 PolarHBondContact N-O 3.3Å; I138-L285 HydrophobicContact CB-CD1 4.08Å; I138-L285 HydrophobicContact CG2-CD1 3.81Å; I138-L285 WeakPolarHBondContact O-CA 3.43Å; I138-V286 PolarHBondContact O-N 3.33Å
139L98.8Very high91.4Very high0 Ų041.7 Ų41.70%021%0.212CC..EExtended strand (participates in β ladder)trans-120136.6174.9-175148000110.8I48 Y60 L61 M63 H70 I74 D141 V286I48-L139 HydrophobicContact CD1-CD1 4.08Å; I48-L139 HydrophobicContact CG2-CD1 4.35Å; Y60-L139 HydrophobicContact CE2-CB 3.9Å; Y60-L139 WeakPolarHBondContact OH-CB 3.11Å; L61-L139 PolarHBondContact O-N 3.48Å; M63-L139 WeakPolarHBondContact CB-O 3.41Å; M63-L139 PolarHBondContact N-O 2.84Å; H70-L139 HydrophobicContact CB-CD1 3.81Å; H70-L139 HydrophobicContact CB-CD2 4.32Å; I74-L139 HydrophobicContact CD1-CD1 4.39Å; L139-D141 HydrophobicContact CD2-CB 4.06Å; L139-V286 CarbonylContact C-O 3.24Å; L139-V286 WeakPolarHBondContact CA-O 3.21Å; L139-V286 HydrophobicContact CB-CB 4.4Å; L139-V286 HydrophobicContact CD1-CB 4.5Å; L139-V286 HydrophobicContact CD1-CG1 4.06Å; L139-V286 HydrophobicContact CG-CB 4.32Å; L139-V286 HydrophobicContact CG-CG1 4.12Å
140M98.5Very high92Very high0 Ų037.8 Ų37.80%019%0.191CC..EExtended strand (participates in β ladder)trans-131.5103.8171.8-64.6172.8-168.200109.3M63 F118 I138 L142 L268 G271 L272 A275 L285 V286 V287 L288M63-M140 HydrophobicContact CB-CG 4Å; M63-M140 HydrophobicContact CE-CE 4.11Å; M63-M140 HydrophobicContact SD-CE 3.37Å; M63-M140 WeakPolarHBondContact SD-CE 3.36Å; M63-M140 HydrophobicContact SD-CG 4.4Å; F118-M140 HydrophobicContact CE2-SD 4.44Å; I138-M140 HydrophobicContact CG2-CE 4.11Å; M140-L142 HydrophobicContact CB-CD2 3.96Å; M140-L142 HydrophobicContact CB-CG 4.44Å; M140-L268 HydrophobicContact SD-CD1 4.38Å; M140-G271 WeakPolarHBondContact CE-O 3.48Å; M140-L272 HydrophobicContact SD-CD2 4.46Å; M140-A275 HydrophobicContact CE-CB 3.82Å; M140-L285 HydrophobicContact CE-CD1 4.05Å; M140-L285 HydrophobicContact SD-CD1 4.26Å; M140-V286 PolarHBondContact N-O 3.37Å; M140-V287 HydrophobicContact CB-CG1 4.24Å; M140-V287 HydrophobicContact CB-CG2 4.43Å; M140-V287 CarbonylContact O-C 3.49Å; M140-V287 VanDerWaalsContact O-CA 3.29Å; M140-V287 WeakPolarHBondContact O-CA 3.33Å; M140-V287 HydrophobicContact SD-CG2 4.48Å; M140-L288 PolarHBondContact O-N 3.32Å
141D97.6Very high92.3Very high30 Ų3039.2 Ų39.216%0.1620%0.199CC..EExtended strand (participates in β ladder)trans-94.291.4168.9-168.514.4000109.4T64 H70 L139 L288 F290T64-D141 VanDerWaalsContact CB-O 3.31Å; T64-D141 WeakPolarHBondContact CB-O 3.44Å; T64-D141 WeakPolarHBondContact CG2-O 3.3Å; T64-D141 WeakPolarHBondContact OG1-CA 3.35Å; T64-D141 PolarHBondContact OG1-N 3.46Å; T64-D141 PolarHBondContact OG1-O 3.31Å; H70-D141 IonicContact CD2-OD2 3.77Å; H70-D141 IonicContact NE2-OD2 2.77Å; L139-D141 HydrophobicContact CD2-CB 4.06Å; D141-L288 HydrophobicContact CB-CB 4.47Å; D141-L288 HydrophobicContact CB-CD1 4.22Å; D141-L288 WeakPolarHBondContact OD1-CB 3.33Å; D141-L288 WeakPolarHBondContact OD1-CD1 3.24Å; D141-F290 WeakPolarHBondContact OD1-CE2 3.44Å; D141-F290 WeakPolarHBondContact OD1-CZ 3.48Å
142L96.3Very high92.6Very high9 Ų936.5 Ų36.55%0.04719%0.188CC..  trans-74.5164.7-165.7-57.6174.5000112.7F118 M140 L268 V287 L288 F290 E294 V298F118-L142 HydrophobicContact CE2-CD2 4.33Å; F118-L142 HydrophobicContact CZ-CD2 4.38Å; M140-L142 HydrophobicContact CB-CD2 3.96Å; M140-L142 HydrophobicContact CB-CG 4.44Å; L142-L268 HydrophobicContact CD1-CD1 3.67Å; L142-L268 HydrophobicContact CD1-CD2 3.77Å; L142-L268 HydrophobicContact CD1-CG 4.35Å; L142-L268 HydrophobicContact CD2-CD1 3.74Å; L142-L268 HydrophobicContact CG-CD1 4.35Å; L142-V287 HydrophobicContact CD1-CG1 3.58Å; L142-V287 HydrophobicContact CG-CG1 4.01Å; L142-L288 VanDerWaalsContact CB-O 3.25Å; L142-L288 WeakPolarHBondContact CB-O 3.44Å; L142-L288 VanDerWaalsContact CG-O 3.24Å; L142-L288 WeakPolarHBondContact CG-O 3.29Å; L142-L288 PolarHBondContact N-O 3.06Å; L142-F290 WeakPolarHBondContact O-CD2 3.25Å; L142-F290 WeakPolarHBondContact O-CE2 3.44Å; L142-E294 HydrophobicContact CB-CG 4.36Å; L142-E294 HydrophobicContact CD1-CB 3.94Å; L142-E294 HydrophobicContact CD1-CG 3.97Å; L142-V298 HydrophobicContact CD1-CG2 4.38Å
143G89.3Confident92.9Very high23 Ų2330.9 Ų30.924%0.23717%0.173CC..SBendtrans83.9-153.2178.800000113.2M168 E294G143-M168 WeakPolarHBondContact O-CE 3.27Å; G143-E294 PolarHBondContact N-OE1 3.31Å
144V89.9Confident92.9Very high35 Ų3526.3 Ų26.321%0.21215%0.152CC..  trans-92.6140-174.8-80.50000112.1L149 F156 M168 R258V144-L149 HydrophobicContact CB-CG 4.39Å; V144-L149 HydrophobicContact CG2-CD1 3.99Å; V144-L149 HydrophobicContact CG2-CD2 3.84Å; V144-L149 HydrophobicContact CG2-CG 3.84Å; V144-F156 HydrophobicContact CG1-CD1 3.57Å; V144-F156 HydrophobicContact CG1-CD2 4.47Å; V144-F156 HydrophobicContact CG1-CE1 3.55Å; V144-F156 HydrophobicContact CG1-CE2 4.48Å; V144-F156 HydrophobicContact CG1-CG 4.03Å; V144-F156 HydrophobicContact CG1-CZ 4.04Å; V144-M168 HydrophobicContact CB-CE 4.46Å; V144-M168 HydrophobicContact CG1-CE 3.5Å; V144-R258 HydrophobicContact CG1-CG 4.44Å
145S89.4Confident92.9Very high23 Ų2324.6 Ų24.616%0.16114%0.14CC..  trans-71.2154.3173.776.40000111.1L147 Q148 L149S145-L147 PolarHBondContact O-N 2.98Å; S145-Q148 WeakPolarHBondContact O-CB 3.12Å; S145-Q148 PolarHBondContact O-N 2.74Å; S145-Q148 VanDerWaalsContact O-N 3.07Å; S145-Q148 WeakPolarHBondContact OG-CG 3.4Å; S145-Q148 PolarHBondContact OG-N 2.97Å; S145-L149 PolarHBondContact O-N 2.93Å; S145-L149 VanDerWaalsContact O-N 3.13Å
146S85.7Confident92.7Very high12 Ų1225.4 Ų25.48%0.08414%0.143CC..Hα-helixtrans-54.2-41172.2-82.50000112.7H40 Q148 L149 D150 R367H40-S146 WeakPolarHBondContact CD2-CB 3.46Å; H40-S146 PolarHBondContact CD2-OG 3.03Å; H40-S146 PolarHBondContact NE2-OG 2.97Å; S146-Q148 VanDerWaalsContact C-N 3.28Å; S146-Q148 PolarHBondContact O-N 2.84Å; S146-L149 PolarHBondContact O-N 2.81Å; S146-L149 VanDerWaalsContact O-N 3.09Å; S146-D150 WeakPolarHBondContact O-CB 3.5Å; S146-D150 VanDerWaalsContact O-CG 3.25Å; S146-D150 PolarHBondContact O-N 3Å; S146-R367 WeakPolarHBondContact OG-CD 3.41Å; S146-R367 PolarHBondContact OG-NH1 3.08Å
147L86.1Confident92.3Very high8 Ų826.2 Ų26.24%0.04216%0.156CC..Hα-helixtrans-56.9-42.2176.4-176.568.4000112I37 T67 F96 S145 D150 I151I37-L147 HydrophobicContact CD1-CD1 3.39Å; I37-L147 HydrophobicContact CG1-CD1 4.41Å; T67-L147 HydrophobicContact CG2-CB 4.07Å; T67-L147 HydrophobicContact CG2-CD2 4.44Å; F96-L147 HydrophobicContact CE2-CD2 3.66Å; F96-L147 HydrophobicContact CZ-CD2 4.19Å; S145-L147 PolarHBondContact O-N 2.98Å; L147-D150 PolarHBondContact O-N 3.16Å; L147-I151 HydrophobicContact CD1-CD1 3.86Å; L147-I151 HydrophobicContact CD1-CG1 4.44Å; L147-I151 HydrophobicContact CG-CD1 3.93Å; L147-I151 VanDerWaalsContact O-CG1 3.3Å; L147-I151 WeakPolarHBondContact O-CG1 3.45Å; L147-I151 PolarHBondContact O-N 3.23Å; L147-I151 VanDerWaalsContact O-N 3.16Å
148Q91Very high91.9Very high5 Ų528.3 Ų28.32%0.02316%0.164CC..Hα-helixtrans-67.8-35.6177.6-72.8166-12.100112.5D90 S145 S146 R154 F156D90-Q148 WeakPolarHBondContact OD2-CG 3.34Å; D90-Q148 PolarHBondContact OD2-NE2 3.37Å; S145-Q148 WeakPolarHBondContact O-CB 3.12Å; S145-Q148 PolarHBondContact O-N 2.74Å; S145-Q148 VanDerWaalsContact O-N 3.07Å; S145-Q148 WeakPolarHBondContact OG-CG 3.4Å; S145-Q148 PolarHBondContact OG-N 2.97Å; S146-Q148 VanDerWaalsContact C-N 3.28Å; S146-Q148 PolarHBondContact O-N 2.84Å; Q148-R154 WeakPolarHBondContact O-CB 3.36Å; Q148-F156 HydrophobicContact CB-CD2 3.74Å; Q148-F156 HydrophobicContact CB-CE2 3.72Å; Q148-F156 HydrophobicContact CG-CE2 4.01Å; Q148-F156 WeakPolarHBondContact O-CD2 3.18Å
149L88.2Confident91.3Very high69 Ų6937.7 Ų37.736%0.36121%0.205SC..Hα-helixtrans-73.3-33.2176.2-71.6171.3000113V144 S145 S146 F156V144-L149 HydrophobicContact CB-CG 4.39Å; V144-L149 HydrophobicContact CG2-CD1 3.99Å; V144-L149 HydrophobicContact CG2-CD2 3.84Å; V144-L149 HydrophobicContact CG2-CG 3.84Å; S145-L149 PolarHBondContact O-N 2.93Å; S145-L149 VanDerWaalsContact O-N 3.13Å; S146-L149 PolarHBondContact O-N 2.81Å; S146-L149 VanDerWaalsContact O-N 3.09Å; L149-F156 HydrophobicContact CD2-CB 4.07Å
150D87.4Confident90.9Very high67 Ų6742.5 Ų42.536%0.35823%0.228SC..Hα-helixtrans-80.1-29.1-176.2-74.3-39.9000113.2S146 L147 E152 R367S146-D150 WeakPolarHBondContact O-CB 3.5Å; S146-D150 VanDerWaalsContact O-CG 3.25Å; S146-D150 PolarHBondContact O-N 3Å; L147-D150 PolarHBondContact O-N 3.16Å; D150-E152 PolarHBondContact O-N 2.95Å; D150-R367 IonicContact OD1-CZ 2.96Å; D150-R367 IonicContact OD1-NH1 3.78Å; D150-R367 IonicContact OD1-NH2 3.74Å; D150-R367 PolarHBondContact OD1-NH2 3.34Å; D150-R367 IonicContact OD2-CZ 3.9Å; D150-R367 IonicContact OD2-NH1 3.21Å; D150-R367 PolarHBondContact OD2-NH1 2.88Å; D150-R367 IonicContact OD2-NH2 3.56Å; D150-R367 PolarHBondContact OD2-NH2 2.9Å
151I90Very high90.7Very high62 Ų6247.2 Ų47.232%0.31825%0.253SS..  trans-84.996.3175.3-58.9166.6000108.3L147 S153 R154L147-I151 HydrophobicContact CD1-CD1 3.86Å; L147-I151 HydrophobicContact CD1-CG1 4.44Å; L147-I151 HydrophobicContact CG-CD1 3.93Å; L147-I151 VanDerWaalsContact O-CG1 3.3Å; L147-I151 WeakPolarHBondContact O-CG1 3.45Å; L147-I151 PolarHBondContact O-N 3.23Å; L147-I151 VanDerWaalsContact O-N 3.16Å; I151-S153 WeakPolarHBondContact CG2-OG 3.19Å; I151-S153 PolarHBondContact O-N 2.84Å; I151-S153 VanDerWaalsContact O-N 3.1Å; I151-R154 HydrophobicContact CB-CG 3.64Å; I151-R154 HydrophobicContact CG2-CG 3.72Å; I151-R154 VanDerWaalsContact O-CB 3.23Å; I151-R154 WeakPolarHBondContact O-CB 3.47Å; I151-R154 VanDerWaalsContact O-CG 3.22Å; I151-R154 WeakPolarHBondContact O-CG 3.47Å; I151-R154 PolarHBondContact O-N 3.43Å
152E90.5Very high90.6Very high99 Ų9946.1 Ų46.146%0.46325%0.248SC..G310 helixtrans-51-40.4-176.2-65.4178.7-171.600113D150 R154 G155 H160 A162D150-E152 PolarHBondContact O-N 2.95Å; E152-R154 PolarHBondContact O-N 3.07Å; E152-G155 PolarHBondContact O-N 3.43Å; E152-H160 VanDerWaalsContact CD-CB 3.45Å; E152-H160 VanDerWaalsContact CD-CG 3.42Å; E152-H160 HydrophobicContact CG-CB 4.12Å; E152-H160 IonicContact OE1-CD2 3.04Å; E152-H160 PolarHBondContact OE1-CD2 3.34Å; E152-H160 IonicContact OE1-CE1 3.56Å; E152-H160 IonicContact OE1-CG 2.71Å; E152-H160 IonicContact OE1-ND1 3.83Å; E152-H160 IonicContact OE1-NE2 3.96Å; E152-H160 VanDerWaalsContact OE2-CB 3.28Å; E152-H160 WeakPolarHBondContact OE2-CB 3.05Å; E152-H160 IonicContact OE2-CG 3.15Å; E152-A162 HydrophobicContact CB-CB 4.44Å; E152-A162 WeakPolarHBondContact O-CB 3.45Å
153S91.7Very high90.5Very high48 Ų4848.4 Ų48.434%0.33626%0.263SS..G310 helixtrans-61.8-12.5-179.765.40000114.5I151 G155I151-S153 WeakPolarHBondContact CG2-OG 3.19Å; I151-S153 PolarHBondContact O-N 2.84Å; I151-S153 VanDerWaalsContact O-N 3.1Å; S153-G155 VanDerWaalsContact C-N 3.3Å
154R92Very high90.8Very high6 Ų647.5 Ų47.52%0.02325%0.253CS..G310 helixtrans-73.1-22.2172.1-56.9-63.5-61.7-97.80.1112.5D90 Q148 I151 E152 F156 M166 R167 M168 Q170D90-R154 IonicContact OD1-NH1 2.68Å; D90-R154 IonicContact OD2-CZ 3.61Å; D90-R154 VanDerWaalsContact OD2-CZ 3.24Å; D90-R154 IonicContact OD2-NH1 3.66Å; D90-R154 PolarHBondContact OD2-NH1 3.27Å; D90-R154 IonicContact OD2-NH2 2.67Å; D90-R154 PolarHBondContact OD2-NH2 3.25Å; Q148-R154 WeakPolarHBondContact O-CB 3.36Å; I151-R154 HydrophobicContact CB-CG 3.64Å; I151-R154 HydrophobicContact CG2-CG 3.72Å; I151-R154 VanDerWaalsContact O-CB 3.23Å; I151-R154 WeakPolarHBondContact O-CB 3.47Å; I151-R154 VanDerWaalsContact O-CG 3.22Å; I151-R154 WeakPolarHBondContact O-CG 3.47Å; I151-R154 PolarHBondContact O-N 3.43Å; E152-R154 PolarHBondContact O-N 3.07Å; R154-F156 VanDerWaalsContact C-N 3.35Å; R154-F156 HydrophobicContact CB-CD2 3.61Å; R154-F156 HydrophobicContact CB-CE2 3.93Å; R154-F156 PolarHBondContact O-N 3.43Å; R154-M166 PolarHBondContact O-N 3.07Å; R154-R167 PolarHBondContact NH2-O 3.3Å; R154-M168 PolarHBondContact NH2-O 3Å; R154-Q170 VanDerWaalsContact NE-CD 3.33Å
155G94.1Very high91Very high1 Ų146.2 Ų46.21%0.0125%0.245CC..  trans74.714.9173.700000115.8E152 S153 G157 P163 M166E152-G155 PolarHBondContact O-N 3.43Å; S153-G155 VanDerWaalsContact C-N 3.3Å; G155-G157 VanDerWaalsContact C-N 3.35Å; G155-P163 VanDerWaalsContact CA-O 3.29Å; G155-P163 WeakPolarHBondContact CA-O 3.37Å; G155-M166 WeakPolarHBondContact O-CE 3.37Å; G155-M166 VanDerWaalsContact O-CG 3.22Å; G155-M166 WeakPolarHBondContact O-CG 3.28Å
156F93.7Very high91.3Very high16 Ų1645.1 Ų45.17%0.0724%0.237CC..SBendtrans-74.7-23.5178.3-73-71.7000113.8V144 Q148 L149 R154 M166 M168 R258V144-F156 HydrophobicContact CG1-CD1 3.57Å; V144-F156 HydrophobicContact CG1-CD2 4.47Å; V144-F156 HydrophobicContact CG1-CE1 3.55Å; V144-F156 HydrophobicContact CG1-CE2 4.48Å; V144-F156 HydrophobicContact CG1-CG 4.03Å; V144-F156 HydrophobicContact CG1-CZ 4.04Å; Q148-F156 HydrophobicContact CB-CD2 3.74Å; Q148-F156 HydrophobicContact CB-CE2 3.72Å; Q148-F156 HydrophobicContact CG-CE2 4.01Å; Q148-F156 WeakPolarHBondContact O-CD2 3.18Å; L149-F156 HydrophobicContact CD2-CB 4.07Å; R154-F156 VanDerWaalsContact C-N 3.35Å; R154-F156 HydrophobicContact CB-CD2 3.61Å; R154-F156 HydrophobicContact CB-CE2 3.93Å; R154-F156 PolarHBondContact O-N 3.43Å; F156-M166 HydrophobicContact CD1-CB 4.29Å; F156-M166 HydrophobicContact CD1-CG 4.49Å; F156-M166 HydrophobicContact CE1-CB 4.21Å; F156-M166 WeakPolarHBondContact CE1-O 3.4Å; F156-M166 VanDerWaalsContact CZ-O 3.32Å; F156-M166 WeakPolarHBondContact CZ-O 3.46Å; F156-M168 HydrophobicContact CE1-CG 4.27Å; F156-M168 HydrophobicContact CZ-CG 3.73Å; F156-R258 HydrophobicContact CD1-CG 4.04Å; F156-R258 HydrophobicContact CE1-CG 3.99Å
157G90.8Very high91.6Very high32 Ų3246.4 Ų46.433%0.3324%0.24SC..  trans-11516517600000112.4G155 T226G155-G157 VanDerWaalsContact C-N 3.35Å; G157-T226 WeakPolarHBondContact O-CG2 3.35Å
158F89.7Confident91.9Very high49 Ų4946.5 Ų46.522%0.21524%0.24CC..  trans-126.616.8178.754.5-91.9000113.3H160 A230 H248 A250 F254F158-H160 VanDerWaalsContact C-N 3.25Å; F158-A230 HydrophobicContact CB-CB 3.97Å; F158-A230 HydrophobicContact CD2-CB 4Å; F158-A230 HydrophobicContact CG-CB 4.11Å; F158-H248 HydrophobicContact CE2-CB 3.87Å; F158-H248 AromaticContact CE2-CE1 3.83Å; F158-H248 AromaticContact CE2-CG 3.51Å; F158-H248 AromaticContact CE2-ND1 3.27Å; F158-H248 VanDerWaalsContact CE2-ND1 3.27Å; F158-H248 WeakPolarHBondContact CE2-ND1 3.35Å; F158-H248 HydrophobicContact CZ-CB 3.94Å; F158-H248 AromaticContact CZ-CG 3.98Å; F158-H248 AromaticContact CZ-ND1 3.69Å; F158-A250 HydrophobicContact CE1-CB 4.29Å; F158-A250 HydrophobicContact CE2-CB 4.33Å; F158-A250 HydrophobicContact CZ-CB 4.15Å; F158-F254 HydrophobicContact CB-CD1 4.3Å; F158-F254 HydrophobicContact CB-CE1 3.63Å; F158-F254 HydrophobicContact CB-CE2 4.4Å; F158-F254 HydrophobicContact CB-CZ 3.68Å; F158-F254 HydrophobicContact CD1-CB 4.32Å; F158-F254 AromaticContact CD1-CD1 3.45Å; F158-F254 HydrophobicContact CD1-CD1 3.45Å; F158-F254 VanDerWaalsContact CD1-CD1 3.45Å; F158-F254 AromaticContact CD1-CD2 3.87Å; F158-F254 HydrophobicContact CD1-CD2 3.87Å; F158-F254 AromaticContact CD1-CE1 3.66Å; F158-F254 HydrophobicContact CD1-CE1 3.66Å; F158-F254 HydrophobicContact CD1-CE2 4.01Å; F158-F254 AromaticContact CD1-CG 3.59Å; F158-F254 HydrophobicContact CD1-CG 3.59Å; F158-F254 AromaticContact CD1-CZ 3.93Å; F158-F254 HydrophobicContact CD1-CZ 3.93Å; F158-F254 HydrophobicContact CE1-CB 4.29Å; F158-F254 HydrophobicContact CE1-CD1 4.24Å; F158-F254 HydrophobicContact CE1-CD2 4.21Å; F158-F254 AromaticContact CE1-CG 3.98Å; F158-F254 HydrophobicContact CE1-CG 3.98Å; F158-F254 HydrophobicContact CG-CD1 4.31Å; F158-F254 HydrophobicContact CG-CE1 4.06Å; F158-F254 HydrophobicContact CG-CE2 4.34Å; F158-F254 HydrophobicContact CG-CZ 4.07Å
159K87.5Confident91.6Very high197 Ų19748 Ų4886%0.85725%0.249SC*.SBendtrans-64.8-35171.7-69.2-175.5179.2-179.20111.7
160H88.7Confident91.1Very high102 Ų10246.3 Ų46.347%0.47224%0.239SC..SBendtrans-117.5154.4177.7-56.4-77.1000109.6E152 F158 A162 T226E152-H160 VanDerWaalsContact CD-CB 3.45Å; E152-H160 VanDerWaalsContact CD-CG 3.42Å; E152-H160 HydrophobicContact CG-CB 4.12Å; E152-H160 IonicContact OE1-CD2 3.04Å; E152-H160 PolarHBondContact OE1-CD2 3.34Å; E152-H160 IonicContact OE1-CE1 3.56Å; E152-H160 IonicContact OE1-CG 2.71Å; E152-H160 IonicContact OE1-ND1 3.83Å; E152-H160 IonicContact OE1-NE2 3.96Å; E152-H160 VanDerWaalsContact OE2-CB 3.28Å; E152-H160 WeakPolarHBondContact OE2-CB 3.05Å; E152-H160 IonicContact OE2-CG 3.15Å; F158-H160 VanDerWaalsContact C-N 3.25Å; H160-A162 PolarHBondContact O-N 3.33Å; H160-T226 PolarHBondContact O-OG1 3.44Å
161N95Very high89.6Confident99 Ų9944.9 Ų44.953%0.52923%0.234SC..  trans-78.3110177.3-174.737.9000109.5T225 K227N161-T225 WeakPolarHBondContact OD1-CB 3.4Å; N161-T225 PolarHBondContact OD1-OG1 3.39Å; N161-K227 HydrophobicContact CB-CB 3.91Å; N161-K227 HydrophobicContact CB-CD 4.19Å; N161-K227 WeakPolarHBondContact OD1-CB 3.32Å
162A94.9Very high87.8Confident7 Ų748.3 Ų48.36%0.05826%0.26CS..  trans-136163.6-177.300000111.2E152 H160 T225 T226E152-A162 HydrophobicContact CB-CB 4.44Å; E152-A162 WeakPolarHBondContact O-CB 3.45Å; H160-A162 PolarHBondContact O-N 3.33Å; A162-T225 CarbonylContact O-C 3.5Å; A162-T225 WeakPolarHBondContact O-CA 3.3Å; A162-T225 VanDerWaalsContact O-CB 3.24Å; A162-T225 WeakPolarHBondContact O-CB 3.35Å; A162-T226 HydrophobicContact CB-CG2 4.36Å; A162-T226 PolarHBondContact N-OG1 2.89Å; A162-T226 PolarHBondContact O-N 2.88Å; A162-T226 PolarHBondContact O-OG1 3.16Å
163P95.6Very high85.5Confident57 Ų5750.7 Ų50.737%0.3728%0.277SS..BIsolated β-bridgetrans-55.3139.9171.6-24.735.2000112G155 D165G155-P163 VanDerWaalsContact CA-O 3.29Å; G155-P163 WeakPolarHBondContact CA-O 3.37Å; P163-D165 VanDerWaalsContact C-N 3.26Å; P163-D165 PolarHBondContact O-N 3.19Å
164L95.7Very high83.7Confident3 Ų350.9 Ų50.92%0.01628%0.275CS..SBendtrans-81.571.3178.4-172.264.7000110M166 A181 A182 I185 I223 Q224 T226 L229 F254L164-M166 HydrophobicContact CD1-CE 4.01Å; L164-A181 HydrophobicContact CD1-CB 3.96Å; L164-A181 HydrophobicContact CD2-CB 4.4Å; L164-A181 HydrophobicContact CG-CB 3.61Å; L164-A181 CarbonylContact O-C 3.51Å; L164-A181 WeakPolarHBondContact O-CB 3.3Å; L164-A181 PolarHBondContact O-N 3.31Å; L164-A182 HydrophobicContact CB-CB 4.13Å; L164-A182 PolarHBondContact O-N 3.18Å; L164-I185 HydrophobicContact CD2-CB 4.35Å; L164-I185 HydrophobicContact CD2-CG1 4.08Å; L164-I223 HydrophobicContact CD2-CG2 4.19Å; L164-Q224 WeakPolarHBondContact CB-O 3.24Å; L164-Q224 PolarHBondContact N-O 3.24Å; L164-T226 HydrophobicContact CD1-CG2 4.21Å; L164-L229 HydrophobicContact CD1-CD2 3.88Å; L164-L229 HydrophobicContact CD2-CB 4.39Å; L164-L229 HydrophobicContact CD2-CD2 3.93Å; L164-F254 HydrophobicContact CD1-CE1 4.38Å; L164-F254 HydrophobicContact CD1-CZ 4.49Å
165D93.9Very high81.6Confident8 Ų857.3 Ų57.34%0.04331%0.306CS..  trans-95.7-66.6-175.6-168.8-62.3000113.2P163 R167 Q170 T180 A181P163-D165 VanDerWaalsContact C-N 3.26Å; P163-D165 PolarHBondContact O-N 3.19Å; D165-R167 VanDerWaalsContact C-N 3.25Å; D165-R167 PolarHBondContact O-N 3.09Å; D165-R167 VanDerWaalsContact OD1-CB 3.24Å; D165-R167 WeakPolarHBondContact OD1-CB 3.32Å; D165-R167 WeakPolarHBondContact OD1-CG 3.37Å; D165-R167 IonicContact OD1-CZ 3.72Å; D165-R167 PolarHBondContact OD1-N 2.96Å; D165-R167 IonicContact OD1-NE 2.75Å; D165-R167 PolarHBondContact OD1-NE 2.95Å; D165-R167 IonicContact OD1-NH2 2.77Å; D165-R167 IonicContact OD2-CZ 3.64Å; D165-R167 IonicContact OD2-NE 3.73Å; D165-R167 PolarHBondContact OD2-NE 2.89Å; D165-R167 IonicContact OD2-NH2 3.71Å; D165-R167 PolarHBondContact OD2-NH2 2.87Å; D165-Q170 PolarHBondContact OD1-NE2 3.28Å; D165-Q170 PolarHBondContact OD2-NE2 3.32Å; D165-Q170 VanDerWaalsContact OD2-NE2 3.15Å; D165-T180 HydrophobicContact CB-CG2 4.49Å; D165-A181 PolarHBondContact O-N 3.41Å
166M94.6Very high79.9Confident0 Ų064.3 Ų64.30%034%0.336CS..  trans62.313.4178.9-58.9-176.9171.400116.9R154 G155 F156 L164 A181 F254 L257 R258 I261 N262R154-M166 PolarHBondContact O-N 3.07Å; G155-M166 WeakPolarHBondContact O-CE 3.37Å; G155-M166 VanDerWaalsContact O-CG 3.22Å; G155-M166 WeakPolarHBondContact O-CG 3.28Å; F156-M166 HydrophobicContact CD1-CB 4.29Å; F156-M166 HydrophobicContact CD1-CG 4.49Å; F156-M166 HydrophobicContact CE1-CB 4.21Å; F156-M166 WeakPolarHBondContact CE1-O 3.4Å; F156-M166 VanDerWaalsContact CZ-O 3.32Å; F156-M166 WeakPolarHBondContact CZ-O 3.46Å; L164-M166 HydrophobicContact CD1-CE 4.01Å; M166-A181 HydrophobicContact CB-CB 4.08Å; M166-A181 HydrophobicContact CG-CB 3.9Å; M166-A181 HydrophobicContact SD-CB 3.76Å; M166-F254 HydrophobicContact CE-CB 4.04Å; M166-F254 HydrophobicContact CE-CD1 3.04Å; M166-F254 HydrophobicContact CE-CE1 3.5Å; M166-F254 HydrophobicContact CE-CG 3.71Å; M166-F254 HydrophobicContact CE-CZ 4.5Å; M166-L257 HydrophobicContact SD-CB 3.71Å; M166-R258 HydrophobicContact SD-CB 4.36Å; M166-I261 HydrophobicContact CB-CD1 4.09Å; M166-I261 HydrophobicContact SD-CD1 4.49Å; M166-N262 PolarHBondContact O-ND2 3.06Å
167R93.4Very high78.5Confident40 Ų4066 Ų6615%0.15135%0.346CS..  trans-83.2132174.9-62.8173.3-64173.25.1111.1R154 D165 Q170 T178 I261R154-R167 PolarHBondContact NH2-O 3.3Å; D165-R167 VanDerWaalsContact C-N 3.25Å; D165-R167 PolarHBondContact O-N 3.09Å; D165-R167 VanDerWaalsContact OD1-CB 3.24Å; D165-R167 WeakPolarHBondContact OD1-CB 3.32Å; D165-R167 WeakPolarHBondContact OD1-CG 3.37Å; D165-R167 IonicContact OD1-CZ 3.72Å; D165-R167 PolarHBondContact OD1-N 2.96Å; D165-R167 IonicContact OD1-NE 2.75Å; D165-R167 PolarHBondContact OD1-NE 2.95Å; D165-R167 IonicContact OD1-NH2 2.77Å; D165-R167 IonicContact OD2-CZ 3.64Å; D165-R167 IonicContact OD2-NE 3.73Å; D165-R167 PolarHBondContact OD2-NE 2.89Å; D165-R167 IonicContact OD2-NH2 3.71Å; D165-R167 PolarHBondContact OD2-NH2 2.87Å; R167-Q170 HydrophobicContact CB-CG 4.42Å; R167-T178 WeakPolarHBondContact CD-O 3.49Å; R167-T178 HydrophobicContact CG-CG2 4.31Å; R167-T178 PolarHBondContact NH1-O 2.99Å; R167-I261 HydrophobicContact CG-CG2 3.78Å
168M91.9Very high77.7Confident9 Ų966 Ų664%0.04434%0.34CS..SBendtrans-75.5-33.6175.4-71.7174.6169.900112.2R89 D90 G143 V144 R154 F156 Q170 N262 E264R89-M168 HydrophobicContact CG-CB 4.03Å; R89-M168 HydrophobicContact CG-SD 4.47Å; D90-M168 WeakPolarHBondContact CA-O 3.5Å; D90-M168 VanDerWaalsContact CB-O 3.3Å; D90-M168 WeakPolarHBondContact CB-O 3.5Å; G143-M168 WeakPolarHBondContact O-CE 3.27Å; V144-M168 HydrophobicContact CB-CE 4.46Å; V144-M168 HydrophobicContact CG1-CE 3.5Å; R154-M168 PolarHBondContact NH2-O 3Å; F156-M168 HydrophobicContact CE1-CG 4.27Å; F156-M168 HydrophobicContact CZ-CG 3.73Å; M168-Q170 VanDerWaalsContact C-N 3.26Å; M168-Q170 PolarHBondContact O-N 3.26Å; M168-Q170 VanDerWaalsContact O-N 3.1Å; M168-N262 WeakPolarHBondContact CB-OD1 3.48Å; M168-N262 HydrophobicContact CG-CB 4.43Å; M168-N262 WeakPolarHBondContact CG-OD1 3.24Å; M168-N262 PolarHBondContact N-OD1 3.21Å; M168-N262 HydrophobicContact SD-CB 4Å; M168-E264 HydrophobicContact CE-CG 4.42Å; M168-E264 WeakPolarHBondContact CE-OE1 3.44Å
169N85.2Confident77.6Confident37 Ų3763.7 Ų63.720%0.19833%0.329CS..  trans-86.741.1-17563.5-31.4000113.6S171 V174N169-S171 PolarHBondContact O-N 2.95Å; N169-S171 VanDerWaalsContact O-N 3.16Å; N169-V174 WeakPolarHBondContact O-CG1 3.41Å; N169-V174 WeakPolarHBondContact O-CG2 3.1Å
170Q76.3Confident77.9Confident33 Ų3355.3 Ų55.315%0.15429%0.294CS..  trans-70.5115178.9-72.8-170.5-2.600110.8R154 D165 R167 M168R154-Q170 VanDerWaalsContact NE-CD 3.33Å; D165-Q170 PolarHBondContact OD1-NE2 3.28Å; D165-Q170 PolarHBondContact OD2-NE2 3.32Å; D165-Q170 VanDerWaalsContact OD2-NE2 3.15Å; R167-Q170 HydrophobicContact CB-CG 4.42Å; M168-Q170 VanDerWaalsContact C-N 3.26Å; M168-Q170 PolarHBondContact O-N 3.26Å; M168-Q170 VanDerWaalsContact O-N 3.1Å
171S57.4Low78.2Confident38 Ų3850.4 Ų50.427%0.26627%0.272SS..  trans-120.8149.5159.3-177.60000107.7N169 N173 V174N169-S171 PolarHBondContact O-N 2.95Å; N169-S171 VanDerWaalsContact O-N 3.16Å; S171-N173 PolarHBondContact O-N 2.77Å; S171-N173 PolarHBondContact OG-N 3.13Å; S171-V174 PolarHBondContact O-N 2.84Å; S171-V174 VanDerWaalsContact O-N 3.1Å
172P51.9Low78.3Confident133 Ų13345.9 Ų45.986%0.86425%0.248SC*.THydrogen-bonded Turntrans-49-26.2164.4-23.130.6000113
173N42.5Very low78.2Confident150 Ų15046.7 Ų46.780%0.80225%0.251SS*.THydrogen-bonded Turntrans-108.1-1.1-175.9-59.8-28.2000114.6S171S171-N173 PolarHBondContact O-N 2.77Å; S171-N173 PolarHBondContact OG-N 3.13Å
174V52.2Low78.2Confident51 Ų5144 Ų4431%0.30923%0.234SC..SBendtrans-71.8140.7-175.5156.80000110.5N169 S171 K176N169-V174 WeakPolarHBondContact O-CG1 3.41Å; N169-V174 WeakPolarHBondContact O-CG2 3.1Å; S171-V174 PolarHBondContact O-N 2.84Å; S171-V174 VanDerWaalsContact O-N 3.1Å; V174-K176 PolarHBondContact O-N 2.9Å
175Q49.3Very low78.3Confident142 Ų14243.8 Ų43.866%0.66423%0.233SC*.  trans-41.7121.8-178.2-79.3158.6-18.200112.3D177 T178Q175-D177 PolarHBondContact O-N 2.7Å; Q175-T178 PolarHBondContact O-N 3Å
176K56.7Low78.5Confident147 Ų14744.5 Ų44.564%0.63924%0.237SC*.THydrogen-bonded Turntrans-56.1-4.5170.5-71.6-177.1175-177.40113.8M20 V174M20-K176 HydrophobicContact CE-CD 4.17Å; M20-K176 HydrophobicContact SD-CD 3.91Å; V174-K176 PolarHBondContact O-N 2.9Å
177D65Low78.5Confident53 Ų5346.5 Ų46.528%0.28325%0.249SC..THydrogen-bonded Turntrans-85.9-18.6-175-56-62.3000113.8E13 R17 Q175 P179E13-D177 HydrophobicContact CG-CB 4.35Å; E13-D177 WeakPolarHBondContact CG-O 3.4Å; R17-D177 IonicContact CZ-OD1 3.73Å; R17-D177 IonicContact NE-OD1 2.96Å; R17-D177 IonicContact NH2-OD1 3.57Å; R17-D177 PolarHBondContact NH2-OD1 3.4Å; Q175-D177 PolarHBondContact O-N 2.7Å; D177-P179 WeakPolarHBondContact O-CD 3.46Å
178T74.2Confident78.5Confident32 Ų3244.6 Ų44.620%0.19624%0.242CC..SBendtrans-77.9120.4174.5-53.40000110.6F9 R167 Q175F9-T178 HydrophobicContact CE1-CG2 4.4Å; R167-T178 WeakPolarHBondContact CD-O 3.49Å; R167-T178 HydrophobicContact CG-CG2 4.31Å; R167-T178 PolarHBondContact NH1-O 2.99Å; Q175-T178 PolarHBondContact O-N 3Å
179P87.6Confident78.7Confident0 Ų047.7 Ų47.70%026%0.259CS..PPolyproline II helixtrans-67.8138-176.428.4-35.4000112.2F9 C12 I16 D177 D183 V184F9-P179 VanDerWaalsContact CD1-CD 3.43Å; F9-P179 HydrophobicContact CD1-CG 3.57Å; F9-P179 HydrophobicContact CE1-CG 3.7Å; F9-P179 HydrophobicContact CG-CG 4.15Å; F9-P179 HydrophobicContact CZ-CG 4.36Å; C12-P179 HydrophobicContact CB-CB 3.55Å; C12-P179 HydrophobicContact CB-CG 4.03Å; I16-P179 HydrophobicContact CD1-CB 4.13Å; D177-P179 WeakPolarHBondContact O-CD 3.46Å; P179-D183 HydrophobicContact CB-CB 3.91Å; P179-V184 HydrophobicContact CB-CG2 4.27Å; P179-V184 HydrophobicContact CG-CG2 4.46Å
180T93.1Very high79.3Confident20 Ų2046.8 Ų46.812%0.12326%0.256CS..PPolyproline II helixtrans-73.7167.2169.2620000111.2D165 A182 D183 V184D165-T180 HydrophobicContact CB-CG2 4.49Å; T180-A182 PolarHBondContact O-N 3.25Å; T180-A182 PolarHBondContact OG1-N 3.17Å; T180-D183 WeakPolarHBondContact CB-OD2 3.29Å; T180-D183 PolarHBondContact N-OD2 3.39Å; T180-D183 WeakPolarHBondContact O-CB 3.42Å; T180-D183 PolarHBondContact O-N 3.22Å; T180-D183 PolarHBondContact OG1-N 3.23Å; T180-D183 PolarHBondContact OG1-OD2 3.27Å; T180-V184 WeakPolarHBondContact O-CG2 3.48Å; T180-V184 PolarHBondContact O-N 3.43Å
181A95.6Very high80.2Confident0 Ų050.1 Ų50.10%028%0.275CS..Hα-helixtrans-58.8-35.8169.300000112L164 D165 M166 V184 I185 I261L164-A181 HydrophobicContact CD1-CB 3.96Å; L164-A181 HydrophobicContact CD2-CB 4.4Å; L164-A181 HydrophobicContact CG-CB 3.61Å; L164-A181 CarbonylContact O-C 3.51Å; L164-A181 WeakPolarHBondContact O-CB 3.3Å; L164-A181 PolarHBondContact O-N 3.31Å; D165-A181 PolarHBondContact O-N 3.41Å; M166-A181 HydrophobicContact CB-CB 4.08Å; M166-A181 HydrophobicContact CG-CB 3.9Å; M166-A181 HydrophobicContact SD-CB 3.76Å; A181-V184 PolarHBondContact O-N 3.35Å; A181-I185 VanDerWaalsContact O-CB 3.28Å; A181-I185 WeakPolarHBondContact O-CB 3.38Å; A181-I185 VanDerWaalsContact O-CG1 3.28Å; A181-I185 WeakPolarHBondContact O-CG1 3.45Å; A181-I185 PolarHBondContact O-N 2.92Å; A181-I261 HydrophobicContact CB-CD1 3.38Å
182A96.3Very high81.9Confident4 Ų449.1 Ų49.13%0.03327%0.266CS..Hα-helixtrans-62.2-41.5171.900000111.7L164 T180 I185 N186L164-A182 HydrophobicContact CB-CB 4.13Å; L164-A182 PolarHBondContact O-N 3.18Å; T180-A182 PolarHBondContact O-N 3.25Å; T180-A182 PolarHBondContact OG1-N 3.17Å; A182-I185 PolarHBondContact O-N 3.3Å; A182-N186 VanDerWaalsContact O-CB 3.26Å; A182-N186 WeakPolarHBondContact O-CB 3.21Å; A182-N186 PolarHBondContact O-N 3.47Å; A182-N186 PolarHBondContact O-ND2 2.93Å
183D94.4Very high84Confident23 Ų2342.8 Ų42.812%0.12323%0.225CC..Hα-helixtrans-64.3-44.8178.1-63.1-46.2000111.5I16 R19 P179 T180 T187I16-D183 HydrophobicContact CD1-CB 3.91Å; I16-D183 VanDerWaalsContact CD1-CG 3.49Å; I16-D183 WeakPolarHBondContact CD1-OD2 3.26Å; I16-D183 HydrophobicContact CG1-CB 4.08Å; I16-D183 VanDerWaalsContact CG1-CG 3.47Å; I16-D183 WeakPolarHBondContact CG1-OD1 3.43Å; R19-D183 IonicContact NH1-OD1 3.65Å; R19-D183 PolarHBondContact NH1-OD1 2.95Å; P179-D183 HydrophobicContact CB-CB 3.91Å; T180-D183 WeakPolarHBondContact CB-OD2 3.29Å; T180-D183 PolarHBondContact N-OD2 3.39Å; T180-D183 WeakPolarHBondContact O-CB 3.42Å; T180-D183 PolarHBondContact O-N 3.22Å; T180-D183 PolarHBondContact OG1-N 3.23Å; T180-D183 PolarHBondContact OG1-OD2 3.27Å; D183-T187 WeakPolarHBondContact O-CB 3.44Å; D183-T187 PolarHBondContact O-N 3.36Å; D183-T187 PolarHBondContact O-OG1 3.43Å
184V95.3Very high86.6Confident0 Ų036.3 Ų36.30%019%0.192CC..Hα-helixtrans-60.6-53.4175.6173.30000110.5P179 T180 A181 N186 T187 L188 L193 I196 L257 F260 I261P179-V184 HydrophobicContact CB-CG2 4.27Å; P179-V184 HydrophobicContact CG-CG2 4.46Å; T180-V184 WeakPolarHBondContact O-CG2 3.48Å; T180-V184 PolarHBondContact O-N 3.43Å; A181-V184 PolarHBondContact O-N 3.35Å; V184-N186 VanDerWaalsContact C-N 3.33Å; V184-N186 PolarHBondContact O-N 3.36Å; V184-T187 PolarHBondContact O-N 3.02Å; V184-L188 HydrophobicContact CG1-CD1 3.72Å; V184-L188 HydrophobicContact CG1-CG 4.31Å; V184-L188 WeakPolarHBondContact O-CG 3.17Å; V184-L188 PolarHBondContact O-N 2.95Å; V184-L188 VanDerWaalsContact O-N 3.13Å; V184-L193 HydrophobicContact CG1-CD2 4.42Å; V184-I196 HydrophobicContact CG1-CD1 4.25Å; V184-L257 HydrophobicContact CG1-CD2 4.06Å; V184-F260 HydrophobicContact CG1-CD1 4.17Å; V184-F260 HydrophobicContact CG1-CE1 4.01Å; V184-F260 HydrophobicContact CG2-CD1 4.32Å; V184-F260 HydrophobicContact CG2-CE1 3.94Å; V184-I261 HydrophobicContact CG2-CG1 4.11Å
185I97.7Very high88.4Confident0 Ų035.8 Ų35.80%019%0.187CC..Hα-helixtrans-61.3-39-178-75.3-54.4000112.3L164 A181 A182 L193 F197 I213 R217 I223 L229 L257L164-I185 HydrophobicContact CD2-CB 4.35Å; L164-I185 HydrophobicContact CD2-CG1 4.08Å; A181-I185 VanDerWaalsContact O-CB 3.28Å; A181-I185 WeakPolarHBondContact O-CB 3.38Å; A181-I185 VanDerWaalsContact O-CG1 3.28Å; A181-I185 WeakPolarHBondContact O-CG1 3.45Å; A181-I185 PolarHBondContact O-N 2.92Å; A182-I185 PolarHBondContact O-N 3.3Å; I185-L193 HydrophobicContact CD1-CD2 3.85Å; I185-F197 HydrophobicContact CD1-CE1 4.32Å; I185-F197 HydrophobicContact CD1-CZ 3.86Å; I185-I213 HydrophobicContact CD1-CD1 4.03Å; I185-I213 HydrophobicContact CG2-CG2 3.87Å; I185-R217 PolarHBondContact O-NH1 3.33Å; I185-I223 HydrophobicContact CG2-CB 3.96Å; I185-I223 HydrophobicContact CG2-CD1 3.95Å; I185-I223 HydrophobicContact CG2-CG1 4.44Å; I185-I223 HydrophobicContact CG2-CG2 4.36Å; I185-L229 HydrophobicContact CG1-CD2 4.41Å; I185-L257 HydrophobicContact CD1-CD1 3.94Å; I185-L257 HydrophobicContact CD1-CD2 3.81Å; I185-L257 HydrophobicContact CD1-CG 4.45Å; I185-L257 HydrophobicContact CG1-CD1 3.97Å; I185-L257 HydrophobicContact CG1-CD2 4.13Å
186N97.3Very high90.4Very high23 Ų2329.2 Ų29.212%0.12316%0.156CC..Hα-helixtrans-88.2-8.3-176.6-66.8-61.4000114.3A182 V184 S222 I223A182-N186 VanDerWaalsContact O-CB 3.26Å; A182-N186 WeakPolarHBondContact O-CB 3.21Å; A182-N186 PolarHBondContact O-N 3.47Å; A182-N186 PolarHBondContact O-ND2 2.93Å; V184-N186 VanDerWaalsContact C-N 3.33Å; V184-N186 PolarHBondContact O-N 3.36Å; N186-S222 WeakPolarHBondContact OD1-CA 3.5Å; N186-I223 PolarHBondContact ND2-O 2.97Å; N186-I223 PolarHBondContact OD1-N 2.88Å
187T94.5Very high92.3Very high41 Ų4122.2 Ų22.225%0.25213%0.126SC..Hα-helixtrans-108.1-39.5-176.8-550000112.9S15 R19 D183 V184S15-T187 PolarHBondContact OG-OG1 3.21Å; S15-T187 VanDerWaalsContact OG-OG1 3.07Å; R19-T187 PolarHBondContact NH2-OG1 3.39Å; D183-T187 WeakPolarHBondContact O-CB 3.44Å; D183-T187 PolarHBondContact O-N 3.36Å; D183-T187 PolarHBondContact O-OG1 3.43Å; V184-T187 PolarHBondContact O-N 3.02Å
188L95Very high93.5Very high0 Ų022 Ų220%013%0.129CC..SBendtrans-77.2151.5-171-58.3-170.9000113.3I8 V184 E192 L193 I196 R217I8-L188 HydrophobicContact CD1-CD1 4.47Å; I8-L188 HydrophobicContact CG2-CD1 3.54Å; I8-L188 HydrophobicContact CG2-CD2 3.68Å; I8-L188 HydrophobicContact CG2-CG 4.21Å; V184-L188 HydrophobicContact CG1-CD1 3.72Å; V184-L188 HydrophobicContact CG1-CG 4.31Å; V184-L188 WeakPolarHBondContact O-CG 3.17Å; V184-L188 PolarHBondContact O-N 2.95Å; V184-L188 VanDerWaalsContact O-N 3.13Å; L188-E192 HydrophobicContact CB-CB 3.96Å; L188-E192 HydrophobicContact CD1-CB 4.27Å; L188-L193 HydrophobicContact CB-CD2 3.96Å; L188-L193 HydrophobicContact CB-CG 3.91Å; L188-L193 HydrophobicContact CD1-CD2 4.38Å; L188-I196 HydrophobicContact CD1-CD1 3.58Å; L188-R217 PolarHBondContact O-NH1 2.8Å; L188-R217 PolarHBondContact O-NH2 3.22Å
189N96Very high94.1Very high75 Ų7520.9 Ų20.940%0.40112%0.121SC..  trans-77.4172.7174.769.143.2000111.7D191 E192 L193N189-D191 VanDerWaalsContact C-N 3.33Å; N189-D191 PolarHBondContact O-N 2.96Å; N189-D191 PolarHBondContact OD1-N 2.8Å; N189-D191 VanDerWaalsContact OD1-N 3.11Å; N189-E192 PolarHBondContact N-OE2 2.94Å; N189-E192 PolarHBondContact ND2-OE2 3.42Å; N189-E192 PolarHBondContact O-N 3.03Å; N189-E192 WeakPolarHBondContact OD1-CB 3.11Å; N189-E192 WeakPolarHBondContact OD1-CG 2.98Å; N189-E192 PolarHBondContact OD1-N 3.06Å; N189-L193 WeakPolarHBondContact O-CG 3.4Å; N189-L193 PolarHBondContact O-N 3.5Å
190A97.2Very high94.3Very high17 Ų1721.5 Ų21.514%0.1412%0.124CC..Hα-helixtrans-60.9-39.4-176.600000113.1S194 A210 N211 V214A190-S194 WeakPolarHBondContact O-CB 3.41Å; A190-S194 PolarHBondContact O-N 3.25Å; A190-A210 HydrophobicContact CB-CB 4.44Å; A190-A210 WeakPolarHBondContact O-CB 3.47Å; A190-N211 WeakPolarHBondContact CB-OD1 3.48Å; A190-V214 HydrophobicContact CB-CG2 3.74Å
191D94.6Very high94.2Very high104 Ų10420.6 Ų20.656%0.55612%0.119SC*.Hα-helixtrans-69.4-41.9-179.3-70.4-31.9000111.4N189 S194 N195N189-D191 VanDerWaalsContact C-N 3.33Å; N189-D191 PolarHBondContact O-N 2.96Å; N189-D191 PolarHBondContact OD1-N 2.8Å; N189-D191 VanDerWaalsContact OD1-N 3.11Å; D191-S194 PolarHBondContact O-N 2.72Å; D191-N195 WeakPolarHBondContact O-CB 3.15Å; D191-N195 PolarHBondContact O-N 3.38Å; D191-N195 PolarHBondContact O-ND2 2.8Å; D191-N195 VanDerWaalsContact O-ND2 3.15Å
192E94.4Very high93.9Very high16 Ų1623.2 Ų23.28%0.07513%0.131CC..Hα-helixtrans-60.6-48.3175.2-72.3171.2151.200111.4K11 L188 N189 N195 I196K11-E192 IonicContact NZ-OE1 3.98Å; K11-E192 PolarHBondContact NZ-OE1 3.01Å; L188-E192 HydrophobicContact CB-CB 3.96Å; L188-E192 HydrophobicContact CD1-CB 4.27Å; N189-E192 PolarHBondContact N-OE2 2.94Å; N189-E192 PolarHBondContact ND2-OE2 3.42Å; N189-E192 PolarHBondContact O-N 3.03Å; N189-E192 WeakPolarHBondContact OD1-CB 3.11Å; N189-E192 WeakPolarHBondContact OD1-CG 2.98Å; N189-E192 PolarHBondContact OD1-N 3.06Å; E192-N195 PolarHBondContact O-N 3.3Å; E192-I196 WeakPolarHBondContact O-CG1 3.28Å; E192-I196 PolarHBondContact O-N 3.48Å; E192-I196 VanDerWaalsContact O-N 3.11Å
193L96.1Very high93.7Very high0 Ų023.8 Ų23.80%013%0.133CC..Hα-helixtrans-63.3-45.9176.6-71.2175000112V184 I185 L188 N189 N195 I196 F197 A210 I213V184-L193 HydrophobicContact CG1-CD2 4.42Å; I185-L193 HydrophobicContact CD1-CD2 3.85Å; L188-L193 HydrophobicContact CB-CD2 3.96Å; L188-L193 HydrophobicContact CB-CG 3.91Å; L188-L193 HydrophobicContact CD1-CD2 4.38Å; N189-L193 WeakPolarHBondContact O-CG 3.4Å; N189-L193 PolarHBondContact O-N 3.5Å; L193-N195 VanDerWaalsContact C-N 3.27Å; L193-N195 PolarHBondContact O-N 2.81Å; L193-I196 WeakPolarHBondContact O-CB 2.96Å; L193-I196 PolarHBondContact O-N 3.1Å; L193-I196 VanDerWaalsContact O-N 3.15Å; L193-F197 HydrophobicContact CB-CE2 3.94Å; L193-F197 HydrophobicContact CB-CZ 4.08Å; L193-F197 HydrophobicContact CD2-CZ 4.11Å; L193-F197 VanDerWaalsContact O-CD2 3.29Å; L193-F197 WeakPolarHBondContact O-CD2 3.16Å; L193-F197 WeakPolarHBondContact O-CG 3.32Å; L193-F197 PolarHBondContact O-N 3.4Å; L193-A210 HydrophobicContact CB-CB 3.8Å; L193-I213 HydrophobicContact CD1-CB 4.34Å; L193-I213 HydrophobicContact CD1-CG2 3.74Å
194S95.8Very high93.5Very high15 Ų1533.3 Ų33.311%0.10517%0.167CC..Hα-helixtrans-57.6-43177.4176.40000111.1A190 D191 F197 S198 S206 K207A190-S194 WeakPolarHBondContact O-CB 3.41Å; A190-S194 PolarHBondContact O-N 3.25Å; D191-S194 PolarHBondContact O-N 2.72Å; S194-F197 PolarHBondContact O-N 3.22Å; S194-S198 VanDerWaalsContact O-CB 3.23Å; S194-S198 WeakPolarHBondContact O-CB 3.32Å; S194-S198 PolarHBondContact O-N 3.14Å; S194-S206 WeakPolarHBondContact O-CB 3.46Å; S194-K207 WeakPolarHBondContact OG-CA 3.32Å; S194-K207 PolarHBondContact OG-N 3.1Å
195N90.9Very high93.4Very high39 Ų3935.9 Ų35.921%0.20918%0.18CC..Hα-helixtrans-61.6-45.7176.5-75.3-29.6000111.7D191 E192 L193 F197 S198 I199D191-N195 WeakPolarHBondContact O-CB 3.15Å; D191-N195 PolarHBondContact O-N 3.38Å; D191-N195 PolarHBondContact O-ND2 2.8Å; D191-N195 VanDerWaalsContact O-ND2 3.15Å; E192-N195 PolarHBondContact O-N 3.3Å; L193-N195 VanDerWaalsContact C-N 3.27Å; L193-N195 PolarHBondContact O-N 2.81Å; N195-F197 PolarHBondContact O-N 2.82Å; N195-S198 PolarHBondContact O-N 2.85Å; N195-I199 VanDerWaalsContact O-CB 3.27Å; N195-I199 WeakPolarHBondContact O-CB 3.39Å; N195-I199 WeakPolarHBondContact O-CG1 3.42Å; N195-I199 PolarHBondContact O-N 3.23Å
196I91.9Very high93.3Very high4 Ų436.4 Ų36.42%0.02118%0.184CC..Hα-helixtrans-57.5-51.4176.2-70.7167.5000110.5V184 L188 E192 L193 S198 I199 Y200 A256 F260V184-I196 HydrophobicContact CG1-CD1 4.25Å; L188-I196 HydrophobicContact CD1-CD1 3.58Å; E192-I196 WeakPolarHBondContact O-CG1 3.28Å; E192-I196 PolarHBondContact O-N 3.48Å; E192-I196 VanDerWaalsContact O-N 3.11Å; L193-I196 WeakPolarHBondContact O-CB 2.96Å; L193-I196 PolarHBondContact O-N 3.1Å; L193-I196 VanDerWaalsContact O-N 3.15Å; I196-S198 VanDerWaalsContact C-N 3.35Å; I196-S198 PolarHBondContact O-N 3.45Å; I196-I199 PolarHBondContact O-N 2.98Å; I196-Y200 HydrophobicContact CB-CD2 4.43Å; I196-Y200 HydrophobicContact CG2-CD2 4.05Å; I196-Y200 WeakPolarHBondContact O-CB 3.5Å; I196-Y200 WeakPolarHBondContact O-CD2 3.42Å; I196-Y200 PolarHBondContact O-N 3.09Å; I196-A256 HydrophobicContact CG2-CB 4.37Å; I196-F260 HydrophobicContact CD1-CD1 3.83Å; I196-F260 HydrophobicContact CD1-CD2 4.11Å; I196-F260 HydrophobicContact CD1-CE1 3.81Å; I196-F260 HydrophobicContact CD1-CE2 4.06Å; I196-F260 HydrophobicContact CD1-CG 4Å; I196-F260 HydrophobicContact CD1-CZ 3.94Å; I196-F260 HydrophobicContact CG1-CD1 4.47Å; I196-F260 HydrophobicContact CG1-CD2 4.01Å; I196-F260 HydrophobicContact CG1-CE2 4.24Å; I196-F260 HydrophobicContact CG1-CG 4.14Å; I196-F260 HydrophobicContact CG2-CB 3.92Å; I196-F260 HydrophobicContact CG2-CG 4.09Å
197F94.9Very high93.2Very high0 Ų041.5 Ų41.50%021%0.205CC..Hα-helixtrans-65.2-38.1-177.5-55-26.3000112.7I185 L193 S194 N195 G201 E202 E203 I209 A210 I213 V253 A256 L257I185-F197 HydrophobicContact CD1-CE1 4.32Å; I185-F197 HydrophobicContact CD1-CZ 3.86Å; L193-F197 HydrophobicContact CB-CE2 3.94Å; L193-F197 HydrophobicContact CB-CZ 4.08Å; L193-F197 HydrophobicContact CD2-CZ 4.11Å; L193-F197 VanDerWaalsContact O-CD2 3.29Å; L193-F197 WeakPolarHBondContact O-CD2 3.16Å; L193-F197 WeakPolarHBondContact O-CG 3.32Å; L193-F197 PolarHBondContact O-N 3.4Å; S194-F197 PolarHBondContact O-N 3.22Å; N195-F197 PolarHBondContact O-N 2.82Å; F197-G201 CarbonylContact O-C 3.59Å; F197-G201 VanDerWaalsContact O-CA 3.24Å; F197-G201 WeakPolarHBondContact O-CA 3.21Å; F197-G201 PolarHBondContact O-N 3.23Å; F197-E202 PolarHBondContact O-N 3.45Å; F197-E203 HydrophobicContact CB-CB 4.24Å; F197-E203 WeakPolarHBondContact O-CB 3.27Å; F197-E203 PolarHBondContact O-N 3.46Å; F197-E203 VanDerWaalsContact O-N 3.16Å; F197-I209 HydrophobicContact CD2-CG2 4.15Å; F197-I209 HydrophobicContact CE2-CG2 3.93Å; F197-A210 HydrophobicContact CD2-CB 4.43Å; F197-A210 HydrophobicContact CE2-CB 4.23Å; F197-I213 HydrophobicContact CE2-CD1 3.69Å; F197-I213 HydrophobicContact CZ-CD1 3.67Å; F197-V253 HydrophobicContact CD1-CG1 3.88Å; F197-V253 HydrophobicContact CE1-CG1 3.62Å; F197-V253 HydrophobicContact CE2-CG1 4.43Å; F197-V253 HydrophobicContact CG-CG1 4.42Å; F197-V253 HydrophobicContact CZ-CG1 3.92Å; F197-A256 HydrophobicContact CD1-CB 4.1Å; F197-L257 HydrophobicContact CE1-CD2 3.93Å; F197-L257 HydrophobicContact CE1-CG 4.03Å
198S91.7Very high93.4Very high49 Ų4945.9 Ų45.934%0.34322%0.217SC..Hα-helixtrans-67.1-45.9177.7-172.40000111.7S194 N195 I196 E202S194-S198 VanDerWaalsContact O-CB 3.23Å; S194-S198 WeakPolarHBondContact O-CB 3.32Å; S194-S198 PolarHBondContact O-N 3.14Å; N195-S198 PolarHBondContact O-N 2.85Å; I196-S198 VanDerWaalsContact C-N 3.35Å; I196-S198 PolarHBondContact O-N 3.45Å; S198-E202 VanDerWaalsContact O-CA 3.27Å; S198-E202 WeakPolarHBondContact O-CA 3.15Å; S198-E202 PolarHBondContact O-N 3.03Å
199I86.7Confident93.5Very high8 Ų846 Ų464%0.04122%0.217CC..Hα-helixtrans-75.8-50.8-173.3-69.5170.6000111.4N195 I196 L315 F322N195-I199 VanDerWaalsContact O-CB 3.27Å; N195-I199 WeakPolarHBondContact O-CB 3.39Å; N195-I199 WeakPolarHBondContact O-CG1 3.42Å; N195-I199 PolarHBondContact O-N 3.23Å; I196-I199 PolarHBondContact O-N 2.98Å; I199-L315 HydrophobicContact CG2-CD2 3.52Å; I199-L315 HydrophobicContact CG2-CG 4.4Å; I199-F322 HydrophobicContact CD1-CD2 3.77Å; I199-F322 HydrophobicContact CD1-CE2 4Å
200Y91.2Very high93.6Very high13 Ų1342.4 Ų42.45%0.05120%0.198CC..Hα-helixtrans-94.9-20.2-171.2-58.3-65.9000113.4I5 I196 Q255 I259 F260 L265 L293I5-Y200 WeakPolarHBondContact CD1-OH 3.27Å; I196-Y200 HydrophobicContact CB-CD2 4.43Å; I196-Y200 HydrophobicContact CG2-CD2 4.05Å; I196-Y200 WeakPolarHBondContact O-CB 3.5Å; I196-Y200 WeakPolarHBondContact O-CD2 3.42Å; I196-Y200 PolarHBondContact O-N 3.09Å; Y200-Q255 PolarHBondContact O-NE2 2.85Å; Y200-Q255 VanDerWaalsContact O-NE2 3.11Å; Y200-I259 HydrophobicContact CD1-CB 4.33Å; Y200-I259 HydrophobicContact CD1-CG2 3.37Å; Y200-I259 HydrophobicContact CE1-CG2 4.01Å; Y200-I259 HydrophobicContact CG-CB 4.41Å; Y200-I259 HydrophobicContact CG-CG2 3.91Å; Y200-I259 WeakPolarHBondContact O-CD1 3.5Å; Y200-F260 HydrophobicContact CD2-CB 3.95Å; Y200-F260 HydrophobicContact CD2-CD2 4.34Å; Y200-F260 HydrophobicContact CE2-CB 4.05Å; Y200-F260 AromaticContact CE2-CD2 3.65Å; Y200-F260 HydrophobicContact CE2-CD2 3.65Å; Y200-F260 HydrophobicContact CE2-CG 4.3Å; Y200-L265 HydrophobicContact CD1-CD1 3.9Å; Y200-L265 HydrophobicContact CE1-CD1 4.07Å; Y200-L293 WeakPolarHBondContact O-CD1 3.04Å
201G91.3Very high93.7Very high2 Ų244.7 Ų44.72%0.02121%0.208CC..Hα-helixtrans-104.2-12.117700000114.5F197 E203 R252F197-G201 CarbonylContact O-C 3.59Å; F197-G201 VanDerWaalsContact O-CA 3.24Å; F197-G201 WeakPolarHBondContact O-CA 3.21Å; F197-G201 PolarHBondContact O-N 3.23Å; G201-E203 PolarHBondContact O-N 3.22Å; G201-R252 WeakPolarHBondContact CA-O 3.21Å; G201-R252 WeakPolarHBondContact O-CB 3.48Å; G201-R252 WeakPolarHBondContact O-CD 3.46Å; G201-R252 WeakPolarHBondContact O-CG 3.36Å
202E88.8Confident93.8Very high54 Ų5440.3 Ų40.325%0.25219%0.187SC..  trans51.632.7-166.1-55.9-176120.400111.9F197 S198 R204 S292 L293 R296 R318F197-E202 PolarHBondContact O-N 3.45Å; S198-E202 VanDerWaalsContact O-CA 3.27Å; S198-E202 WeakPolarHBondContact O-CA 3.15Å; S198-E202 PolarHBondContact O-N 3.03Å; E202-R204 PolarHBondContact O-N 3.01Å; E202-S292 PolarHBondContact OE2-OG 3.07Å; E202-L293 HydrophobicContact CG-CD2 4.16Å; E202-R296 IonicContact OE1-NH1 3.72Å; E202-R296 IonicContact OE1-NH2 3.25Å; E202-R318 IonicContact OE1-CZ 3.83Å; E202-R318 IonicContact OE1-NH1 2.96Å; E202-R318 PolarHBondContact OE1-NH1 2.89Å; E202-R318 IonicContact OE1-NH2 3.76Å; E202-R318 PolarHBondContact OE1-NH2 2.92Å
203E92.1Very high94Very high16 Ų1639.6 Ų39.68%0.07518%0.184CC..  trans-80.9119.3-174.4-176.243.4-107.900111.7F197 G201 L205 S206 I209 R252 V253F197-E203 HydrophobicContact CB-CB 4.24Å; F197-E203 WeakPolarHBondContact O-CB 3.27Å; F197-E203 PolarHBondContact O-N 3.46Å; F197-E203 VanDerWaalsContact O-N 3.16Å; G201-E203 PolarHBondContact O-N 3.22Å; E203-L205 PolarHBondContact OE1-N 3.36Å; E203-S206 WeakPolarHBondContact O-CB 3.33Å; E203-S206 PolarHBondContact O-N 2.7Å; E203-S206 PolarHBondContact O-OG 2.75Å; E203-I209 HydrophobicContact CG-CD1 3.6Å; E203-R252 HydrophobicContact CB-CB 4.37Å; E203-R252 VanDerWaalsContact OE2-CD 3.32Å; E203-R252 WeakPolarHBondContact OE2-CD 3.5Å; E203-V253 HydrophobicContact CG-CG2 4.46Å
204R90.4Very high94.1Very high223 Ų22340.9 Ų40.984%0.84219%0.191SC*.THydrogen-bonded Turntrans-76.2-30-175.8-66.4-176178.3179.5-1.4112.4E202 S206E202-R204 PolarHBondContact O-N 3.01Å; R204-S206 VanDerWaalsContact C-N 3.25Å
205L93.7Very high94.3Very high54 Ų5444.2 Ų44.228%0.28321%0.208SC..THydrogen-bonded Turntrans-9319.3175.4-59.2178.7000111.8E203 K207 R208 I209 V237E203-L205 PolarHBondContact OE1-N 3.36Å; L205-K207 VanDerWaalsContact C-N 3.31Å; L205-K207 PolarHBondContact O-N 2.67Å; L205-R208 HydrophobicContact CB-CB 4.47Å; L205-R208 WeakPolarHBondContact O-CB 3.45Å; L205-R208 PolarHBondContact O-N 3.07Å; L205-I209 HydrophobicContact CB-CD1 4.19Å; L205-I209 HydrophobicContact CB-CG1 4.42Å; L205-I209 WeakPolarHBondContact O-CG1 3.11Å; L205-I209 PolarHBondContact O-N 3.2Å; L205-V237 HydrophobicContact CD1-CB 4.29Å; L205-V237 HydrophobicContact CD1-CG1 3.88Å; L205-V237 HydrophobicContact CD1-CG2 4.12Å
206S94.9Very high94.6Very high11 Ų1144.8 Ų44.88%0.07721%0.207CC..Hα-helixtrans-47.7-49-178.336.40000112.9S194 E203 R204 R208 I209 A210S194-S206 WeakPolarHBondContact O-CB 3.46Å; E203-S206 WeakPolarHBondContact O-CB 3.33Å; E203-S206 PolarHBondContact O-N 2.7Å; E203-S206 PolarHBondContact O-OG 2.75Å; R204-S206 VanDerWaalsContact C-N 3.25Å; S206-R208 PolarHBondContact O-N 3.15Å; S206-I209 PolarHBondContact O-N 3.09Å; S206-A210 VanDerWaalsContact O-CB 3.27Å; S206-A210 WeakPolarHBondContact O-CB 3.26Å; S206-A210 PolarHBondContact O-N 3.2Å
207K96.3Very high94.9Very high131 Ų13146.9 Ų46.957%0.5722%0.215SC*.Hα-helixtrans-62.3-42.7177.8-172.2172-176.2171.80113S194 L205 N211S194-K207 WeakPolarHBondContact OG-CA 3.32Å; S194-K207 PolarHBondContact OG-N 3.1Å; L205-K207 VanDerWaalsContact C-N 3.31Å; L205-K207 PolarHBondContact O-N 2.67Å; K207-N211 VanDerWaalsContact O-CG 3.31Å; K207-N211 PolarHBondContact O-N 3.07Å
208R97Very high95Very high133 Ų13352.6 Ų52.650%0.50225%0.246SC..Hα-helixtrans-64.5-47.4178.3175.4179.7-75.2179.2-4.4111L205 S206 A210 N211 A212 V236L205-R208 HydrophobicContact CB-CB 4.47Å; L205-R208 WeakPolarHBondContact O-CB 3.45Å; L205-R208 PolarHBondContact O-N 3.07Å; S206-R208 PolarHBondContact O-N 3.15Å; R208-A210 VanDerWaalsContact C-N 3.34Å; R208-N211 PolarHBondContact O-N 2.99Å; R208-A212 WeakPolarHBondContact O-CB 3.46Å; R208-A212 PolarHBondContact O-N 2.96Å; R208-V236 VanDerWaalsContact CD-O 3.25Å; R208-V236 WeakPolarHBondContact CD-O 3.49Å; R208-V236 HydrophobicContact CG-CB 4.48Å
209I97.7Very high95.2Very high1 Ų156.9 Ų56.91%0.00527%0.265CS..Hα-helixtrans-63.1-43.2179.7-66.7164.4000110.3F197 E203 L205 S206 A212 I213 I233 V236 V237 V253F197-I209 HydrophobicContact CD2-CG2 4.15Å; F197-I209 HydrophobicContact CE2-CG2 3.93Å; E203-I209 HydrophobicContact CG-CD1 3.6Å; L205-I209 HydrophobicContact CB-CD1 4.19Å; L205-I209 HydrophobicContact CB-CG1 4.42Å; L205-I209 WeakPolarHBondContact O-CG1 3.11Å; L205-I209 PolarHBondContact O-N 3.2Å; S206-I209 PolarHBondContact O-N 3.09Å; I209-A212 PolarHBondContact O-N 3.41Å; I209-I213 HydrophobicContact CG2-CD1 3.98Å; I209-I213 WeakPolarHBondContact O-CG1 3.33Å; I209-I213 PolarHBondContact O-N 3.45Å; I209-I233 HydrophobicContact CD1-CG2 4.22Å; I209-I233 HydrophobicContact CG2-CG1 3.98Å; I209-V236 HydrophobicContact CG1-CG2 4.14Å; I209-V237 HydrophobicContact CD1-CG2 3.76Å; I209-V237 HydrophobicContact CG1-CG2 3.95Å; I209-V253 HydrophobicContact CD1-CG2 3.9Å; I209-V253 HydrophobicContact CG2-CG2 4.12Å
210A98.3Very high95.7Very high0 Ų061.3 Ų61.30%029%0.292CS..Hα-helixtrans-62.6-44.417800000112.5A190 L193 F197 S206 R208 I213 V214A190-A210 HydrophobicContact CB-CB 4.44Å; A190-A210 WeakPolarHBondContact O-CB 3.47Å; L193-A210 HydrophobicContact CB-CB 3.8Å; F197-A210 HydrophobicContact CD2-CB 4.43Å; F197-A210 HydrophobicContact CE2-CB 4.23Å; S206-A210 VanDerWaalsContact O-CB 3.27Å; S206-A210 WeakPolarHBondContact O-CB 3.26Å; S206-A210 PolarHBondContact O-N 3.2Å; R208-A210 VanDerWaalsContact C-N 3.34Å; A210-I213 WeakPolarHBondContact O-CB 3.27Å; A210-I213 PolarHBondContact O-N 3.21Å; A210-V214 WeakPolarHBondContact O-CG2 3.48Å; A210-V214 PolarHBondContact O-N 3.14Å
211N98.4Very high95.9Very high65 Ų6561.9 Ų61.935%0.34830%0.302SS..Hα-helixtrans-59.5-47.3173.7-72.5-12.1000111.3A190 K207 R208 I213 V214 D215A190-N211 WeakPolarHBondContact CB-OD1 3.48Å; K207-N211 VanDerWaalsContact O-CG 3.31Å; K207-N211 PolarHBondContact O-N 3.07Å; R208-N211 PolarHBondContact O-N 2.99Å; N211-I213 VanDerWaalsContact C-N 3.25Å; N211-I213 PolarHBondContact O-N 2.77Å; N211-V214 CarbonylContact O-C 3.6Å; N211-V214 WeakPolarHBondContact O-CA 3.34Å; N211-V214 PolarHBondContact O-N 3.3Å; N211-D215 PolarHBondContact O-N 2.76Å
212A98.3Very high96.2Very high13 Ų1364.8 Ų64.811%0.10732%0.322CS..Hα-helixtrans-58.7-36.1178.100000113.1R208 I209 Y216 L232 V236R208-A212 WeakPolarHBondContact O-CB 3.46Å; R208-A212 PolarHBondContact O-N 2.96Å; I209-A212 PolarHBondContact O-N 3.41Å; A212-Y216 VanDerWaalsContact O-CB 3.27Å; A212-Y216 WeakPolarHBondContact O-CB 3.36Å; A212-Y216 PolarHBondContact O-N 3.5Å; A212-L232 HydrophobicContact CB-CD1 4.3Å; A212-V236 HydrophobicContact CB-CB 4.25Å; A212-V236 HydrophobicContact CB-CG1 3.64Å; A212-V236 HydrophobicContact CB-CG2 4.02Å
213I98.5Very high96.6Very high1 Ų162.2 Ų62.21%0.00531%0.31CS..Hα-helixtrans-64.6-44.7172.8-72.1164.7000110.8I185 L193 F197 I209 A210 N211 R217 I223 L229 L232I185-I213 HydrophobicContact CD1-CD1 4.03Å; I185-I213 HydrophobicContact CG2-CG2 3.87Å; L193-I213 HydrophobicContact CD1-CB 4.34Å; L193-I213 HydrophobicContact CD1-CG2 3.74Å; F197-I213 HydrophobicContact CE2-CD1 3.69Å; F197-I213 HydrophobicContact CZ-CD1 3.67Å; I209-I213 HydrophobicContact CG2-CD1 3.98Å; I209-I213 WeakPolarHBondContact O-CG1 3.33Å; I209-I213 PolarHBondContact O-N 3.45Å; A210-I213 WeakPolarHBondContact O-CB 3.27Å; A210-I213 PolarHBondContact O-N 3.21Å; N211-I213 VanDerWaalsContact C-N 3.25Å; N211-I213 PolarHBondContact O-N 2.77Å; I213-R217 VanDerWaalsContact O-CG 3.27Å; I213-R217 WeakPolarHBondContact O-CG 3.41Å; I213-R217 PolarHBondContact O-N 2.94Å; I213-R217 VanDerWaalsContact O-N 3.08Å; I213-I223 HydrophobicContact CG1-CD1 4.33Å; I213-I223 HydrophobicContact CG2-CD1 4.11Å; I213-L229 HydrophobicContact CD1-CD1 3.93Å; I213-L229 HydrophobicContact CG1-CD1 4.19Å; I213-L232 HydrophobicContact CB-CD2 4.48Å; I213-L232 HydrophobicContact CG1-CD2 3.85Å
214V98.4Very high96.9Very high26 Ų2665.4 Ų65.416%0.15833%0.325CS..Hα-helixtrans-63.9-45.5177.7179.60000111.5A190 A210 N211 R217 N218A190-V214 HydrophobicContact CB-CG2 3.74Å; A210-V214 WeakPolarHBondContact O-CG2 3.48Å; A210-V214 PolarHBondContact O-N 3.14Å; N211-V214 CarbonylContact O-C 3.6Å; N211-V214 WeakPolarHBondContact O-CA 3.34Å; N211-V214 PolarHBondContact O-N 3.3Å; V214-R217 WeakPolarHBondContact O-CB 3.47Å; V214-R217 PolarHBondContact O-N 2.94Å; V214-N218 PolarHBondContact O-N 2.81Å; V214-N218 VanDerWaalsContact O-N 3.16Å; V214-N218 PolarHBondContact O-ND2 2.82Å
215D98.3Very high97.2Very high85 Ų8556.1 Ų56.146%0.45529%0.293SS..Hα-helixtrans-61.1-46.7178.6-61.4-21.8000110.4N211 R217 N218 D219N211-D215 PolarHBondContact O-N 2.76Å; D215-R217 VanDerWaalsContact C-N 3.29Å; D215-R217 PolarHBondContact O-N 3.44Å; D215-N218 PolarHBondContact O-N 3.13Å; D215-D219 WeakPolarHBondContact O-CB 3.4Å; D215-D219 PolarHBondContact O-N 2.71Å
216Y98.4Very high97.4Very high52 Ų5253.5 Ų53.520%0.20428%0.279CS..Hα-helixtrans-57.2-41175.5-173.9-82.2000112.6A212 N218 D219 V220 G221 I223 L232A212-Y216 VanDerWaalsContact O-CB 3.27Å; A212-Y216 WeakPolarHBondContact O-CB 3.36Å; A212-Y216 PolarHBondContact O-N 3.5Å; Y216-N218 VanDerWaalsContact C-N 3.29Å; Y216-N218 PolarHBondContact O-N 3.23Å; Y216-D219 PolarHBondContact O-N 2.65Å; Y216-V220 HydrophobicContact CD1-CB 4.22Å; Y216-V220 HydrophobicContact CD2-CB 4.21Å; Y216-V220 HydrophobicContact CD2-CG2 3.99Å; Y216-V220 HydrophobicContact CE1-CB 3.99Å; Y216-V220 HydrophobicContact CE1-CG1 4.08Å; Y216-V220 HydrophobicContact CE2-CB 3.99Å; Y216-V220 HydrophobicContact CE2-CG1 4.01Å; Y216-V220 HydrophobicContact CE2-CG2 3.96Å; Y216-V220 HydrophobicContact CG-CB 4.33Å; Y216-V220 HydrophobicContact CG-CG2 4.43Å; Y216-V220 WeakPolarHBondContact O-CA 3.34Å; Y216-V220 WeakPolarHBondContact O-CB 3.42Å; Y216-V220 PolarHBondContact O-N 3.42Å; Y216-G221 WeakPolarHBondContact CD1-O 3.41Å; Y216-G221 WeakPolarHBondContact CE1-O 3.39Å; Y216-G221 PolarHBondContact O-N 3.29Å; Y216-I223 HydrophobicContact CD1-CD1 3.85Å; Y216-I223 HydrophobicContact CD1-CG1 3.42Å; Y216-I223 VanDerWaalsContact CD1-CG1 3.42Å; Y216-I223 HydrophobicContact CE1-CD1 4.41Å; Y216-I223 HydrophobicContact CE1-CG1 3.59Å; Y216-I223 HydrophobicContact CG-CD1 4.35Å; Y216-I223 HydrophobicContact CG-CG1 4.36Å; Y216-L232 HydrophobicContact CD2-CD1 4.08Å; Y216-L232 HydrophobicContact CD2-CD2 4.24Å; Y216-L232 HydrophobicContact CG-CD2 4Å
217R97.7Very high97.5Very high47 Ų4758 Ų5818%0.17730%0.298CS..Hα-helixtrans-63-36.8177.2-69.4176.2-45.6-175.812.1112.6I185 L188 I213 V214 D215 G221I185-R217 PolarHBondContact O-NH1 3.33Å; L188-R217 PolarHBondContact O-NH1 2.8Å; L188-R217 PolarHBondContact O-NH2 3.22Å; I213-R217 VanDerWaalsContact O-CG 3.27Å; I213-R217 WeakPolarHBondContact O-CG 3.41Å; I213-R217 PolarHBondContact O-N 2.94Å; I213-R217 VanDerWaalsContact O-N 3.08Å; V214-R217 WeakPolarHBondContact O-CB 3.47Å; V214-R217 PolarHBondContact O-N 2.94Å; D215-R217 VanDerWaalsContact C-N 3.29Å; D215-R217 PolarHBondContact O-N 3.44Å; R217-G221 WeakPolarHBondContact CA-O 3.22Å; R217-G221 WeakPolarHBondContact O-CA 3.36Å; R217-G221 PolarHBondContact O-N 3.1Å
218N96.7Very high97.5Very high121 Ų12154.7 Ų54.765%0.64728%0.284SS*.Hα-helixtrans-75.8-41.6-179.7-65.5-25.2000111.6V214 D215 Y216V214-N218 PolarHBondContact O-N 2.81Å; V214-N218 VanDerWaalsContact O-N 3.16Å; V214-N218 PolarHBondContact O-ND2 2.82Å; D215-N218 PolarHBondContact O-N 3.13Å; Y216-N218 VanDerWaalsContact C-N 3.29Å; Y216-N218 PolarHBondContact O-N 3.23Å
219D97.2Very high97.6Very high138 Ų13848.3 Ų48.374%0.73826%0.26SS*.Hα-helixtrans-89.5-34.8-170.3-64.8-15.2000113.2D215 Y216D215-D219 WeakPolarHBondContact O-CB 3.4Å; D215-D219 PolarHBondContact O-N 2.71Å; Y216-D219 PolarHBondContact O-N 2.65Å
220V96Very high97.6Very high101 Ų10148.4 Ų48.461%0.61226%0.261SS*.THydrogen-bonded Turntrans-117.1-42.7-171.2-172.70000111.5Y216Y216-V220 HydrophobicContact CD1-CB 4.22Å; Y216-V220 HydrophobicContact CD2-CB 4.21Å; Y216-V220 HydrophobicContact CD2-CG2 3.99Å; Y216-V220 HydrophobicContact CE1-CB 3.99Å; Y216-V220 HydrophobicContact CE1-CG1 4.08Å; Y216-V220 HydrophobicContact CE2-CB 3.99Å; Y216-V220 HydrophobicContact CE2-CG1 4.01Å; Y216-V220 HydrophobicContact CE2-CG2 3.96Å; Y216-V220 HydrophobicContact CG-CB 4.33Å; Y216-V220 HydrophobicContact CG-CG2 4.43Å; Y216-V220 WeakPolarHBondContact O-CA 3.34Å; Y216-V220 WeakPolarHBondContact O-CB 3.42Å; Y216-V220 PolarHBondContact O-N 3.42Å
221G95.6Very high97.4Very high26 Ų2652.6 Ų52.627%0.26828%0.283SS..  trans126-164.5179.600000113.3Y216 R217Y216-G221 WeakPolarHBondContact CD1-O 3.41Å; Y216-G221 WeakPolarHBondContact CE1-O 3.39Å; Y216-G221 PolarHBondContact O-N 3.29Å; R217-G221 WeakPolarHBondContact CA-O 3.22Å; R217-G221 WeakPolarHBondContact O-CA 3.36Å; R217-G221 PolarHBondContact O-N 3.1Å
222S97.1Very high97.4Very high62 Ų6250.5 Ų50.543%0.43427%0.272SS..  trans-68.5140.4-170.467.10000113.6N186 Q224N186-S222 WeakPolarHBondContact OD1-CA 3.5Å; S222-Q224 PolarHBondContact OG-NE2 3.05Å
223I98.3Very high97.3Very high1 Ų149.9 Ų49.91%0.00527%0.267CS..  trans-88.4111.1173.9-58.2173.9000108.6L164 I185 N186 I213 Y216 Q228 L229 L232L164-I223 HydrophobicContact CD2-CG2 4.19Å; I185-I223 HydrophobicContact CG2-CB 3.96Å; I185-I223 HydrophobicContact CG2-CD1 3.95Å; I185-I223 HydrophobicContact CG2-CG1 4.44Å; I185-I223 HydrophobicContact CG2-CG2 4.36Å; N186-I223 PolarHBondContact ND2-O 2.97Å; N186-I223 PolarHBondContact OD1-N 2.88Å; I213-I223 HydrophobicContact CG1-CD1 4.33Å; I213-I223 HydrophobicContact CG2-CD1 4.11Å; Y216-I223 HydrophobicContact CD1-CD1 3.85Å; Y216-I223 HydrophobicContact CD1-CG1 3.42Å; Y216-I223 VanDerWaalsContact CD1-CG1 3.42Å; Y216-I223 HydrophobicContact CE1-CD1 4.41Å; Y216-I223 HydrophobicContact CE1-CG1 3.59Å; Y216-I223 HydrophobicContact CG-CD1 4.35Å; Y216-I223 HydrophobicContact CG-CG1 4.36Å; I223-Q228 HydrophobicContact CG2-CB 3.98Å; I223-L229 HydrophobicContact CG2-CB 3.91Å; I223-L232 HydrophobicContact CD1-CD2 3.68Å
224Q97.1Very high97Very high82 Ų8253.8 Ų53.838%0.38329%0.285SS..  trans-110-21.3-173.6-62.7-59.5-28.900113.3L164 S222L164-Q224 WeakPolarHBondContact CB-O 3.24Å; L164-Q224 PolarHBondContact N-O 3.24Å; S222-Q224 PolarHBondContact OG-NE2 3.05Å
225T97.7Very high96.7Very high28 Ų2856.8 Ų56.817%0.17231%0.307CS..BIsolated β-bridgetrans-121.2156.2-173.580.80000113.8N161 A162 K227 Q228 L229N161-T225 WeakPolarHBondContact OD1-CB 3.4Å; N161-T225 PolarHBondContact OD1-OG1 3.39Å; A162-T225 CarbonylContact O-C 3.5Å; A162-T225 WeakPolarHBondContact O-CA 3.3Å; A162-T225 VanDerWaalsContact O-CB 3.24Å; A162-T225 WeakPolarHBondContact O-CB 3.35Å; T225-K227 VanDerWaalsContact C-N 3.26Å; T225-K227 PolarHBondContact O-N 2.86Å; T225-Q228 PolarHBondContact O-N 2.74Å; T225-Q228 WeakPolarHBondContact OG1-CG 3.49Å; T225-Q228 PolarHBondContact OG1-N 3.38Å; T225-L229 PolarHBondContact O-N 2.93Å
226T97.2Very high96.5Very high0 Ų054.4 Ų54.40%030%0.295CS..Hα-helixtrans-58.3-39.5174.856.70000111.5G157 H160 A162 L164 A230 F254G157-T226 WeakPolarHBondContact O-CG2 3.35Å; H160-T226 PolarHBondContact O-OG1 3.44Å; A162-T226 HydrophobicContact CB-CG2 4.36Å; A162-T226 PolarHBondContact N-OG1 2.89Å; A162-T226 PolarHBondContact O-N 2.88Å; A162-T226 PolarHBondContact O-OG1 3.16Å; L164-T226 HydrophobicContact CD1-CG2 4.21Å; T226-A230 VanDerWaalsContact O-CB 3.29Å; T226-A230 WeakPolarHBondContact O-CB 3.4Å; T226-A230 PolarHBondContact O-N 3.2Å; T226-F254 HydrophobicContact CG2-CE1 4.05Å; T226-F254 WeakPolarHBondContact O-CZ 3.43Å
227K96.5Very high96Very high106 Ų10652.9 Ų52.946%0.46129%0.292SS..Hα-helixtrans-66.4-46.1177.8-175.9169.1179.2164.70112.3N161 T225 L229 A230 D231N161-K227 HydrophobicContact CB-CB 3.91Å; N161-K227 HydrophobicContact CB-CD 4.19Å; N161-K227 WeakPolarHBondContact OD1-CB 3.32Å; T225-K227 VanDerWaalsContact C-N 3.26Å; T225-K227 PolarHBondContact O-N 2.86Å; K227-L229 VanDerWaalsContact C-N 3.29Å; K227-L229 PolarHBondContact O-N 2.99Å; K227-A230 PolarHBondContact O-N 3.05Å; K227-D231 VanDerWaalsContact CE-OD2 3.29Å; K227-D231 WeakPolarHBondContact CE-OD2 3.39Å; K227-D231 VanDerWaalsContact CG-OD2 3.3Å; K227-D231 WeakPolarHBondContact CG-OD2 3.39Å; K227-D231 WeakPolarHBondContact O-CB 3.26Å; K227-D231 VanDerWaalsContact O-CG 3.24Å; K227-D231 PolarHBondContact O-N 3.1Å
228Q97.7Very high95.1Very high60 Ų6054.2 Ų54.228%0.2831%0.306SS..Hα-helixtrans-56.2-46.2177.8-73.6175.7-52.200111.5I223 T225 L232I223-Q228 HydrophobicContact CG2-CB 3.98Å; T225-Q228 PolarHBondContact O-N 2.74Å; T225-Q228 WeakPolarHBondContact OG1-CG 3.49Å; T225-Q228 PolarHBondContact OG1-N 3.38Å; Q228-L232 WeakPolarHBondContact O-CB 3.2Å; Q228-L232 PolarHBondContact O-N 2.61Å; Q228-L232 VanDerWaalsContact O-N 3.08Å
229L98.3Very high93.8Very high0 Ų053.4 Ų53.40%030%0.3CS..Hα-helixtrans-65.7-44.7178.1-177.760.2000111.7L164 I185 I213 I223 T225 K227 L232 I233 F254 L257L164-L229 HydrophobicContact CD1-CD2 3.88Å; L164-L229 HydrophobicContact CD2-CB 4.39Å; L164-L229 HydrophobicContact CD2-CD2 3.93Å; I185-L229 HydrophobicContact CG1-CD2 4.41Å; I213-L229 HydrophobicContact CD1-CD1 3.93Å; I213-L229 HydrophobicContact CG1-CD1 4.19Å; I223-L229 HydrophobicContact CG2-CB 3.91Å; T225-L229 PolarHBondContact O-N 2.93Å; K227-L229 VanDerWaalsContact C-N 3.29Å; K227-L229 PolarHBondContact O-N 2.99Å; L229-L232 PolarHBondContact O-N 2.89Å; L229-I233 HydrophobicContact CD1-CD1 3.95Å; L229-I233 HydrophobicContact CD1-CG1 4.29Å; L229-I233 HydrophobicContact CG-CD1 3.79Å; L229-I233 WeakPolarHBondContact O-CD1 3.24Å; L229-I233 VanDerWaalsContact O-CG1 3.23Å; L229-I233 WeakPolarHBondContact O-CG1 3.14Å; L229-I233 PolarHBondContact O-N 2.96Å; L229-F254 HydrophobicContact CB-CE2 4.29Å; L229-F254 HydrophobicContact CB-CZ 4.23Å; L229-F254 HydrophobicContact CD2-CD2 4.4Å; L229-F254 HydrophobicContact CD2-CE2 3.76Å; L229-F254 HydrophobicContact CD2-CZ 4Å; L229-F254 HydrophobicContact CG-CE2 3.9Å; L229-F254 HydrophobicContact CG-CZ 4.27Å; L229-L257 HydrophobicContact CD2-CD1 3.66Å
230A97.1Very high92.1Very high3 Ų352.4 Ų52.43%0.02529%0.294CS..Hα-helixtrans-63.6-43.8-179.500000112.4F158 T226 K227 I233 H234 A250 F254F158-A230 HydrophobicContact CB-CB 3.97Å; F158-A230 HydrophobicContact CD2-CB 4Å; F158-A230 HydrophobicContact CG-CB 4.11Å; T226-A230 VanDerWaalsContact O-CB 3.29Å; T226-A230 WeakPolarHBondContact O-CB 3.4Å; T226-A230 PolarHBondContact O-N 3.2Å; K227-A230 PolarHBondContact O-N 3.05Å; A230-I233 PolarHBondContact O-N 2.96Å; A230-H234 WeakPolarHBondContact O-CB 3.48Å; A230-H234 PolarHBondContact O-N 3.41Å; A230-A250 HydrophobicContact CB-CB 4.11Å; A230-F254 HydrophobicContact CB-CE2 4.3Å; A230-F254 HydrophobicContact CB-CZ 4.36Å
231D95.8Very high89.9Confident88 Ų8859.7 Ų59.747%0.47131%0.311SS..Hα-helixtrans-64.7-41.5178.6-69.5-13000110.9K227 H234 S235K227-D231 VanDerWaalsContact CE-OD2 3.29Å; K227-D231 WeakPolarHBondContact CE-OD2 3.39Å; K227-D231 VanDerWaalsContact CG-OD2 3.3Å; K227-D231 WeakPolarHBondContact CG-OD2 3.39Å; K227-D231 WeakPolarHBondContact O-CB 3.26Å; K227-D231 VanDerWaalsContact O-CG 3.24Å; K227-D231 PolarHBondContact O-N 3.1Å; D231-H234 PolarHBondContact O-N 3.5Å; D231-S235 PolarHBondContact O-N 2.86Å
232L97.1Very high87.6Confident21 Ų2164.7 Ų64.711%0.1133%0.327CS..Hα-helixtrans-62.5-45.2174.3177.261.3000112A212 I213 Y216 I223 Q228 L229 H234 S235 V236A212-L232 HydrophobicContact CB-CD1 4.3Å; I213-L232 HydrophobicContact CB-CD2 4.48Å; I213-L232 HydrophobicContact CG1-CD2 3.85Å; Y216-L232 HydrophobicContact CD2-CD1 4.08Å; Y216-L232 HydrophobicContact CD2-CD2 4.24Å; Y216-L232 HydrophobicContact CG-CD2 4Å; I223-L232 HydrophobicContact CD1-CD2 3.68Å; Q228-L232 WeakPolarHBondContact O-CB 3.2Å; Q228-L232 PolarHBondContact O-N 2.61Å; Q228-L232 VanDerWaalsContact O-N 3.08Å; L229-L232 PolarHBondContact O-N 2.89Å; L232-H234 VanDerWaalsContact C-N 3.3Å; L232-H234 PolarHBondContact O-N 3.4Å; L232-S235 PolarHBondContact O-N 2.88Å; L232-S235 PolarHBondContact O-OG 2.99Å; L232-V236 PolarHBondContact O-N 2.81Å
233I95.9Very high85.3Confident0 Ų065.1 Ų65.10%034%0.342CS..Hα-helixtrans-63.8-41.4177.7-64.6158.4000110.1I209 L229 A230 S235 V236 V237 P249 A250 V253 F254I209-I233 HydrophobicContact CD1-CG2 4.22Å; I209-I233 HydrophobicContact CG2-CG1 3.98Å; L229-I233 HydrophobicContact CD1-CD1 3.95Å; L229-I233 HydrophobicContact CD1-CG1 4.29Å; L229-I233 HydrophobicContact CG-CD1 3.79Å; L229-I233 WeakPolarHBondContact O-CD1 3.24Å; L229-I233 VanDerWaalsContact O-CG1 3.23Å; L229-I233 WeakPolarHBondContact O-CG1 3.14Å; L229-I233 PolarHBondContact O-N 2.96Å; A230-I233 PolarHBondContact O-N 2.96Å; I233-S235 VanDerWaalsContact C-N 3.26Å; I233-S235 PolarHBondContact O-N 2.89Å; I233-V236 PolarHBondContact O-N 2.86Å; I233-V237 HydrophobicContact CG2-CG2 3.8Å; I233-V237 WeakPolarHBondContact O-CB 3.32Å; I233-V237 WeakPolarHBondContact O-CG2 3.4Å; I233-V237 PolarHBondContact O-N 3.26Å; I233-P249 HydrophobicContact CG2-CB 4.17Å; I233-A250 HydrophobicContact CB-CB 4.27Å; I233-A250 HydrophobicContact CD1-CB 3.86Å; I233-A250 HydrophobicContact CG2-CB 4.31Å; I233-V253 HydrophobicContact CD1-CB 3.66Å; I233-V253 HydrophobicContact CD1-CG1 3.65Å; I233-V253 HydrophobicContact CD1-CG2 3.88Å; I233-V253 HydrophobicContact CG1-CG2 4.4Å; I233-V253 HydrophobicContact CG2-CG2 4.47Å; I233-F254 HydrophobicContact CD1-CD2 4.5Å; I233-F254 HydrophobicContact CD1-CE2 4.25Å
234H92.7Very high82.9Confident82 Ų8274.3 Ų74.338%0.3838%0.377SS..Hα-helixtrans-61.6-33.5177.3-171.6-53.9000112A230 D231 L232 H248A230-H234 WeakPolarHBondContact O-CB 3.48Å; A230-H234 PolarHBondContact O-N 3.41Å; D231-H234 PolarHBondContact O-N 3.5Å; L232-H234 VanDerWaalsContact C-N 3.3Å; L232-H234 PolarHBondContact O-N 3.4Å; H234-H248 AromaticContact CD2-NE2 3.74Å
235S93Very high80.9Confident89 Ų8973.9 Ų73.962%0.62238%0.382SS*.Hα-helixtrans-73.8-24.2-179.575.90000113.7D231 L232 I233D231-S235 PolarHBondContact O-N 2.86Å; L232-S235 PolarHBondContact O-N 2.88Å; L232-S235 PolarHBondContact O-OG 2.99Å; I233-S235 VanDerWaalsContact C-N 3.26Å; I233-S235 PolarHBondContact O-N 2.89Å
236V92.9Very high79.3Confident35 Ų3578.4 Ų78.421%0.21242%0.415CS..Hα-helixtrans-108.1-16.5-175.5-56.80000114.8R208 I209 A212 L232 I233R208-V236 VanDerWaalsContact CD-O 3.25Å; R208-V236 WeakPolarHBondContact CD-O 3.49Å; R208-V236 HydrophobicContact CG-CB 4.48Å; I209-V236 HydrophobicContact CG1-CG2 4.14Å; A212-V236 HydrophobicContact CB-CB 4.25Å; A212-V236 HydrophobicContact CB-CG1 3.64Å; A212-V236 HydrophobicContact CB-CG2 4.02Å; L232-V236 PolarHBondContact O-N 2.81Å; I233-V236 PolarHBondContact O-N 2.86Å
237V87.8Confident78.4Confident21 Ų2182.9 Ų82.913%0.12744%0.438CS..SBendtrans-89.3118.1174.3176.10000109.4L205 I209 I233 M239 P249L205-V237 HydrophobicContact CD1-CB 4.29Å; L205-V237 HydrophobicContact CD1-CG1 3.88Å; L205-V237 HydrophobicContact CD1-CG2 4.12Å; I209-V237 HydrophobicContact CD1-CG2 3.76Å; I209-V237 HydrophobicContact CG1-CG2 3.95Å; I233-V237 HydrophobicContact CG2-CG2 3.8Å; I233-V237 WeakPolarHBondContact O-CB 3.32Å; I233-V237 WeakPolarHBondContact O-CG2 3.4Å; I233-V237 PolarHBondContact O-N 3.26Å; V237-M239 PolarHBondContact O-N 2.76Å; V237-P249 HydrophobicContact CB-CB 3.85Å; V237-P249 HydrophobicContact CB-CG 4.41Å; V237-P249 HydrophobicContact CG1-CB 3.8Å; V237-P249 HydrophobicContact CG1-CG 4.19Å; V237-P249 HydrophobicContact CG2-CB 4.22Å
238P80.3Confident77.7Confident75 Ų7581 Ų8149%0.48743%0.431SS..PPolyproline II helixtrans-58.3126.6177.8-21.432.5000110.8N240P238-N240 PolarHBondContact O-N 3.31Å
239M68.6Low77.2Confident103 Ų10379.2 Ų79.251%0.50742%0.424SS..PPolyproline II helixtrans-63.2119166.5-78-77131.500108.1V237 R241 P249V237-M239 PolarHBondContact O-N 2.76Å; M239-R241 PolarHBondContact O-N 2.81Å; M239-P249 HydrophobicContact CE-CG 3.3Å
240N62.2Low76.9Confident117 Ų11779.2 Ų79.263%0.62642%0.424SS*.PPolyproline II helixtrans-58.5117.4170.9-81.3-20.5000107.9P238 E242 G243P238-N240 PolarHBondContact O-N 3.31Å; N240-E242 PolarHBondContact O-N 2.86Å; N240-G243 PolarHBondContact O-N 2.89Å
241R48.7Very low76.7Confident254 Ų25481.5 Ų81.596%0.95844%0.438SS*.THydrogen-bonded Turntrans-54.3-20.4-178.4-70.4-177.7177.4175.4-1.7113.7M239M239-R241 PolarHBondContact O-N 2.81Å
242E48.1Very low76.6Confident131 Ų13182.7 Ų82.761%0.61244%0.436SS*.THydrogen-bonded Turntrans-88.55.4-174.2-62.9-173.1150.300114.9N240 R244N240-E242 PolarHBondContact O-N 2.86Å; E242-R244 HydrophobicContact CB-CB 4.46Å; E242-R244 HydrophobicContact CB-CG 4.04Å; E242-R244 WeakPolarHBondContact O-CG 3.22Å; E242-R244 PolarHBondContact O-N 3.07Å; E242-R244 IonicContact OE1-NH1 3.7Å; E242-R244 WeakPolarHBondContact OE2-CD 3.24Å; E242-R244 IonicContact OE2-CZ 3.8Å; E242-R244 IonicContact OE2-NE 3.06Å; E242-R244 IonicContact OE2-NH1 3.62Å; E242-R244 PolarHBondContact OE2-NH1 3.13Å
243G49.1Very low76.6Confident72 Ų7281.7 Ų81.774%0.74243%0.431SS*.SBendtrans61.1817900000114.6N240 S245N240-G243 PolarHBondContact O-N 2.89Å; G243-S245 PolarHBondContact O-N 2.94Å
244R47.1Very low76.7Confident194 Ų19482 Ų8273%0.73243%0.432SS*.  trans-79.4-12.8-171.1-79.3178.7178.4164.6-6.3114.7E242E242-R244 HydrophobicContact CB-CB 4.46Å; E242-R244 HydrophobicContact CB-CG 4.04Å; E242-R244 WeakPolarHBondContact O-CG 3.22Å; E242-R244 PolarHBondContact O-N 3.07Å; E242-R244 IonicContact OE1-NH1 3.7Å; E242-R244 WeakPolarHBondContact OE2-CD 3.24Å; E242-R244 IonicContact OE2-CZ 3.8Å; E242-R244 IonicContact OE2-NE 3.06Å; E242-R244 IonicContact OE2-NH1 3.62Å; E242-R244 PolarHBondContact OE2-NH1 3.13Å
245S54.2Low76.8Confident72 Ų7280.1 Ų80.150%0.50342%0.423SS..  trans-99.1100.2175.8-145.70000109.6G243 I247G243-S245 PolarHBondContact O-N 2.94Å; S245-I247 PolarHBondContact O-N 2.92Å
246S66Low76.9Confident123 Ų12375.9 Ų75.986%0.8639%0.394SS*.  trans-67.8-7170.462.80000112.9
247I76.7Confident77.1Confident95 Ų9574.2 Ų74.249%0.48738%0.384SS..SBendtrans-99122.3-174.1-57.1174.9000108.5S245 T251S245-I247 PolarHBondContact O-N 2.92Å; I247-T251 HydrophobicContact CG2-CG2 3.89Å
248H83.2Confident77.5Confident66 Ų6674.5 Ų74.531%0.30638%0.382SS..  trans-55.2136.3174-171.3-87.5000111F158 H234 A250 T251F158-H248 HydrophobicContact CE2-CB 3.87Å; F158-H248 AromaticContact CE2-CE1 3.83Å; F158-H248 AromaticContact CE2-CG 3.51Å; F158-H248 AromaticContact CE2-ND1 3.27Å; F158-H248 VanDerWaalsContact CE2-ND1 3.27Å; F158-H248 WeakPolarHBondContact CE2-ND1 3.35Å; F158-H248 HydrophobicContact CZ-CB 3.94Å; F158-H248 AromaticContact CZ-CG 3.98Å; F158-H248 AromaticContact CZ-ND1 3.69Å; H234-H248 AromaticContact CD2-NE2 3.74Å; H248-A250 VanDerWaalsContact ND1-CB 3.29Å; H248-A250 WeakPolarHBondContact ND1-CB 3.48Å; H248-A250 PolarHBondContact ND1-N 2.98Å; H248-A250 VanDerWaalsContact ND1-N 3.14Å; H248-A250 PolarHBondContact O-N 3.32Å; H248-A250 VanDerWaalsContact O-N 3.09Å; H248-T251 WeakPolarHBondContact O-CB 3.29Å; H248-T251 PolarHBondContact O-N 2.95Å; H248-T251 PolarHBondContact O-OG1 2.99Å
249P85.6Confident78.1Confident22 Ų2271 Ų7114%0.14336%0.36CS..THydrogen-bonded Turntrans-53.5-34.3-177.3-29.735000114.9I233 V237 M239 T251I233-P249 HydrophobicContact CG2-CB 4.17Å; V237-P249 HydrophobicContact CB-CB 3.85Å; V237-P249 HydrophobicContact CB-CG 4.41Å; V237-P249 HydrophobicContact CG1-CB 3.8Å; V237-P249 HydrophobicContact CG1-CG 4.19Å; V237-P249 HydrophobicContact CG2-CB 4.22Å; M239-P249 HydrophobicContact CE-CG 3.3Å; P249-T251 VanDerWaalsContact C-N 3.26Å; P249-T251 PolarHBondContact O-N 3.39Å
250A93.6Very high79.2Confident0 Ų066.2 Ų66.20%034%0.336CS..THydrogen-bonded Turntrans-68.4-20.2-179.600000114.1F158 A230 I233 H248 R252 V253 F254F158-A250 HydrophobicContact CE1-CB 4.29Å; F158-A250 HydrophobicContact CE2-CB 4.33Å; F158-A250 HydrophobicContact CZ-CB 4.15Å; A230-A250 HydrophobicContact CB-CB 4.11Å; I233-A250 HydrophobicContact CB-CB 4.27Å; I233-A250 HydrophobicContact CD1-CB 3.86Å; I233-A250 HydrophobicContact CG2-CB 4.31Å; H248-A250 VanDerWaalsContact ND1-CB 3.29Å; H248-A250 WeakPolarHBondContact ND1-CB 3.48Å; H248-A250 PolarHBondContact ND1-N 2.98Å; H248-A250 VanDerWaalsContact ND1-N 3.14Å; H248-A250 PolarHBondContact O-N 3.32Å; H248-A250 VanDerWaalsContact O-N 3.09Å; A250-R252 VanDerWaalsContact C-N 3.3Å; A250-R252 PolarHBondContact O-N 3.46Å; A250-V253 PolarHBondContact O-N 3.5Å; A250-F254 HydrophobicContact CB-CD2 3.87Å; A250-F254 HydrophobicContact CB-CE2 3.89Å; A250-F254 VanDerWaalsContact O-CD2 3.27Å; A250-F254 WeakPolarHBondContact O-CD2 3.45Å; A250-F254 PolarHBondContact O-N 3.48Å
251T92.7Very high80.6Confident51 Ų5160.9 Ų60.931%0.31331%0.307SS..Hα-helixtrans-54.5-43.2-171.5-59.70000112.9I247 H248 P249 F254 Q255I247-T251 HydrophobicContact CG2-CG2 3.89Å; H248-T251 WeakPolarHBondContact O-CB 3.29Å; H248-T251 PolarHBondContact O-N 2.95Å; H248-T251 PolarHBondContact O-OG1 2.99Å; P249-T251 VanDerWaalsContact C-N 3.26Å; P249-T251 PolarHBondContact O-N 3.39Å; T251-F254 PolarHBondContact O-N 2.95Å; T251-Q255 WeakPolarHBondContact O-CB 3.35Å; T251-Q255 PolarHBondContact O-N 2.89Å
252R93.7Very high82.6Confident113 Ų11348.9 Ų48.943%0.42626%0.262SS..Hα-helixtrans-69.5-36-179.2-73.4-178.4177.3170.30.4113G201 E203 A250 A256G201-R252 WeakPolarHBondContact CA-O 3.21Å; G201-R252 WeakPolarHBondContact O-CB 3.48Å; G201-R252 WeakPolarHBondContact O-CD 3.46Å; G201-R252 WeakPolarHBondContact O-CG 3.36Å; E203-R252 HydrophobicContact CB-CB 4.37Å; E203-R252 VanDerWaalsContact OE2-CD 3.32Å; E203-R252 WeakPolarHBondContact OE2-CD 3.5Å; A250-R252 VanDerWaalsContact C-N 3.3Å; A250-R252 PolarHBondContact O-N 3.46Å; R252-A256 WeakPolarHBondContact O-CB 3.4Å; R252-A256 PolarHBondContact O-N 3.38Å
253V96.7Very high84.6Confident0 Ų043.2 Ų43.20%024%0.236CC..Hα-helixtrans-69.2-43177.2177.80000110.4F197 E203 I209 I233 A250 A256 L257F197-V253 HydrophobicContact CD1-CG1 3.88Å; F197-V253 HydrophobicContact CE1-CG1 3.62Å; F197-V253 HydrophobicContact CE2-CG1 4.43Å; F197-V253 HydrophobicContact CG-CG1 4.42Å; F197-V253 HydrophobicContact CZ-CG1 3.92Å; E203-V253 HydrophobicContact CG-CG2 4.46Å; I209-V253 HydrophobicContact CD1-CG2 3.9Å; I209-V253 HydrophobicContact CG2-CG2 4.12Å; I233-V253 HydrophobicContact CD1-CB 3.66Å; I233-V253 HydrophobicContact CD1-CG1 3.65Å; I233-V253 HydrophobicContact CD1-CG2 3.88Å; I233-V253 HydrophobicContact CG1-CG2 4.4Å; I233-V253 HydrophobicContact CG2-CG2 4.47Å; A250-V253 PolarHBondContact O-N 3.5Å; V253-A256 WeakPolarHBondContact O-CB 3.46Å; V253-A256 PolarHBondContact O-N 3.11Å; V253-L257 HydrophobicContact CG1-CD1 4.26Å; V253-L257 WeakPolarHBondContact O-CG 3.31Å; V253-L257 PolarHBondContact O-N 3.38Å
254F97.2Very high86.6Confident8 Ų840.6 Ų40.64%0.03521%0.205CC..Hα-helixtrans-63.6-43.2176.1-84.4-113.5000111.5F158 L164 M166 T226 L229 A230 I233 A250 T251 A256 L257 R258F158-F254 HydrophobicContact CB-CD1 4.3Å; F158-F254 HydrophobicContact CB-CE1 3.63Å; F158-F254 HydrophobicContact CB-CE2 4.4Å; F158-F254 HydrophobicContact CB-CZ 3.68Å; F158-F254 HydrophobicContact CD1-CB 4.32Å; F158-F254 AromaticContact CD1-CD1 3.45Å; F158-F254 HydrophobicContact CD1-CD1 3.45Å; F158-F254 VanDerWaalsContact CD1-CD1 3.45Å; F158-F254 AromaticContact CD1-CD2 3.87Å; F158-F254 HydrophobicContact CD1-CD2 3.87Å; F158-F254 AromaticContact CD1-CE1 3.66Å; F158-F254 HydrophobicContact CD1-CE1 3.66Å; F158-F254 HydrophobicContact CD1-CE2 4.01Å; F158-F254 AromaticContact CD1-CG 3.59Å; F158-F254 HydrophobicContact CD1-CG 3.59Å; F158-F254 AromaticContact CD1-CZ 3.93Å; F158-F254 HydrophobicContact CD1-CZ 3.93Å; F158-F254 HydrophobicContact CE1-CB 4.29Å; F158-F254 HydrophobicContact CE1-CD1 4.24Å; F158-F254 HydrophobicContact CE1-CD2 4.21Å; F158-F254 AromaticContact CE1-CG 3.98Å; F158-F254 HydrophobicContact CE1-CG 3.98Å; F158-F254 HydrophobicContact CG-CD1 4.31Å; F158-F254 HydrophobicContact CG-CE1 4.06Å; F158-F254 HydrophobicContact CG-CE2 4.34Å; F158-F254 HydrophobicContact CG-CZ 4.07Å; L164-F254 HydrophobicContact CD1-CE1 4.38Å; L164-F254 HydrophobicContact CD1-CZ 4.49Å; M166-F254 HydrophobicContact CE-CB 4.04Å; M166-F254 HydrophobicContact CE-CD1 3.04Å; M166-F254 HydrophobicContact CE-CE1 3.5Å; M166-F254 HydrophobicContact CE-CG 3.71Å; M166-F254 HydrophobicContact CE-CZ 4.5Å; T226-F254 HydrophobicContact CG2-CE1 4.05Å; T226-F254 WeakPolarHBondContact O-CZ 3.43Å; L229-F254 HydrophobicContact CB-CE2 4.29Å; L229-F254 HydrophobicContact CB-CZ 4.23Å; L229-F254 HydrophobicContact CD2-CD2 4.4Å; L229-F254 HydrophobicContact CD2-CE2 3.76Å; L229-F254 HydrophobicContact CD2-CZ 4Å; L229-F254 HydrophobicContact CG-CE2 3.9Å; L229-F254 HydrophobicContact CG-CZ 4.27Å; A230-F254 HydrophobicContact CB-CE2 4.3Å; A230-F254 HydrophobicContact CB-CZ 4.36Å; I233-F254 HydrophobicContact CD1-CD2 4.5Å; I233-F254 HydrophobicContact CD1-CE2 4.25Å; A250-F254 HydrophobicContact CB-CD2 3.87Å; A250-F254 HydrophobicContact CB-CE2 3.89Å; A250-F254 VanDerWaalsContact O-CD2 3.27Å; A250-F254 WeakPolarHBondContact O-CD2 3.45Å; A250-F254 PolarHBondContact O-N 3.48Å; T251-F254 PolarHBondContact O-N 2.95Å; F254-A256 VanDerWaalsContact C-N 3.33Å; F254-A256 PolarHBondContact O-N 3.4Å; F254-L257 PolarHBondContact O-N 3.44Å; F254-R258 VanDerWaalsContact O-CB 3.22Å; F254-R258 WeakPolarHBondContact O-CB 3.26Å; F254-R258 PolarHBondContact O-N 3.35Å
255Q95.3Very high88.6Confident41 Ų4131.5 Ų31.519%0.19217%0.17CC..Hα-helixtrans-57.9-46171.5-176.7-171-70.600111.3Y200 T251 L257 R258 I259Y200-Q255 PolarHBondContact O-NE2 2.85Å; Y200-Q255 VanDerWaalsContact O-NE2 3.11Å; T251-Q255 WeakPolarHBondContact O-CB 3.35Å; T251-Q255 PolarHBondContact O-N 2.89Å; Q255-L257 PolarHBondContact O-N 2.85Å; Q255-R258 PolarHBondContact O-N 2.96Å; Q255-I259 HydrophobicContact CG-CD1 3.67Å; Q255-I259 HydrophobicContact CG-CG1 4.37Å; Q255-I259 WeakPolarHBondContact O-CB 3.41Å; Q255-I259 VanDerWaalsContact O-CG1 3.28Å; Q255-I259 WeakPolarHBondContact O-CG1 3.49Å; Q255-I259 PolarHBondContact O-N 3.15Å
256A95.9Very high89.9Confident0 Ų029.4 Ų29.40%015%0.154CC..Hα-helixtrans-61.1-47.1-178.700000112.7I196 F197 R252 V253 F254 F260I196-A256 HydrophobicContact CG2-CB 4.37Å; F197-A256 HydrophobicContact CD1-CB 4.1Å; R252-A256 WeakPolarHBondContact O-CB 3.4Å; R252-A256 PolarHBondContact O-N 3.38Å; V253-A256 WeakPolarHBondContact O-CB 3.46Å; V253-A256 PolarHBondContact O-N 3.11Å; F254-A256 VanDerWaalsContact C-N 3.33Å; F254-A256 PolarHBondContact O-N 3.4Å; A256-F260 VanDerWaalsContact O-CB 3.24Å; A256-F260 WeakPolarHBondContact O-CB 3.36Å; A256-F260 PolarHBondContact O-N 3.37Å
257L96.6Very high91Very high0 Ų024 Ų240%012%0.115CC..Hα-helixtrans-61.7-48.2177.5-72.9171.5000111M166 V184 I185 F197 L229 V253 F254 Q255 I259 F260 I261M166-L257 HydrophobicContact SD-CB 3.71Å; V184-L257 HydrophobicContact CG1-CD2 4.06Å; I185-L257 HydrophobicContact CD1-CD1 3.94Å; I185-L257 HydrophobicContact CD1-CD2 3.81Å; I185-L257 HydrophobicContact CD1-CG 4.45Å; I185-L257 HydrophobicContact CG1-CD1 3.97Å; I185-L257 HydrophobicContact CG1-CD2 4.13Å; F197-L257 HydrophobicContact CE1-CD2 3.93Å; F197-L257 HydrophobicContact CE1-CG 4.03Å; L229-L257 HydrophobicContact CD2-CD1 3.66Å; V253-L257 HydrophobicContact CG1-CD1 4.26Å; V253-L257 WeakPolarHBondContact O-CG 3.31Å; V253-L257 PolarHBondContact O-N 3.38Å; F254-L257 PolarHBondContact O-N 3.44Å; Q255-L257 PolarHBondContact O-N 2.85Å; L257-I259 PolarHBondContact O-N 3.02Å; L257-F260 PolarHBondContact O-N 3.11Å; L257-I261 HydrophobicContact CB-CD1 4.21Å; L257-I261 WeakPolarHBondContact O-CB 3.37Å; L257-I261 VanDerWaalsContact O-CD1 3.26Å; L257-I261 WeakPolarHBondContact O-CD1 3.2Å; L257-I261 WeakPolarHBondContact O-CG1 3.23Å; L257-I261 PolarHBondContact O-N 3.42Å
258R95.6Very high91.7Very high27 Ų2719.6 Ų19.610%0.1029%0.092CC..Hα-helixtrans-55.2-52.1178.1169.4172.284.775.8-2.7112V144 F156 M166 F254 Q255 F260 N262 E264V144-R258 HydrophobicContact CG1-CG 4.44Å; F156-R258 HydrophobicContact CD1-CG 4.04Å; F156-R258 HydrophobicContact CE1-CG 3.99Å; M166-R258 HydrophobicContact SD-CB 4.36Å; F254-R258 VanDerWaalsContact O-CB 3.22Å; F254-R258 WeakPolarHBondContact O-CB 3.26Å; F254-R258 PolarHBondContact O-N 3.35Å; Q255-R258 PolarHBondContact O-N 2.96Å; R258-F260 VanDerWaalsContact C-N 3.31Å; R258-F260 PolarHBondContact O-N 2.93Å; R258-N262 WeakPolarHBondContact O-CB 3.48Å; R258-N262 PolarHBondContact O-N 3.39Å; R258-N262 VanDerWaalsContact O-N 3.15Å; R258-N262 PolarHBondContact O-ND2 3.11Å; R258-E264 WeakPolarHBondContact CG-OE1 3.45Å; R258-E264 IonicContact CZ-OE1 2.81Å; R258-E264 IonicContact CZ-OE2 3.59Å; R258-E264 VanDerWaalsContact NH1-CD 3.26Å; R258-E264 IonicContact NH1-OE1 3.54Å; R258-E264 PolarHBondContact NH1-OE1 2.7Å; R258-E264 IonicContact NH1-OE2 3.53Å; R258-E264 PolarHBondContact NH1-OE2 3.43Å
259I92.9Very high91.8Very high1 Ų117.5 Ų17.51%0.0059%0.085CC..Hα-helixtrans-60.1-43.8178.5-69.8169.3000110.9Y200 Q255 L257 D263 E264 L265 H291 L293Y200-I259 HydrophobicContact CD1-CB 4.33Å; Y200-I259 HydrophobicContact CD1-CG2 3.37Å; Y200-I259 HydrophobicContact CE1-CG2 4.01Å; Y200-I259 HydrophobicContact CG-CB 4.41Å; Y200-I259 HydrophobicContact CG-CG2 3.91Å; Y200-I259 WeakPolarHBondContact O-CD1 3.5Å; Q255-I259 HydrophobicContact CG-CD1 3.67Å; Q255-I259 HydrophobicContact CG-CG1 4.37Å; Q255-I259 WeakPolarHBondContact O-CB 3.41Å; Q255-I259 VanDerWaalsContact O-CG1 3.28Å; Q255-I259 WeakPolarHBondContact O-CG1 3.49Å; Q255-I259 PolarHBondContact O-N 3.15Å; L257-I259 PolarHBondContact O-N 3.02Å; I259-D263 PolarHBondContact O-N 3.26Å; I259-D263 VanDerWaalsContact O-N 3.07Å; I259-E264 HydrophobicContact CG2-CB 4.33Å; I259-E264 PolarHBondContact O-N 3.38Å; I259-L265 HydrophobicContact CG2-CD1 4.16Å; I259-L265 HydrophobicContact CG2-CD2 4.47Å; I259-L265 HydrophobicContact CG2-CG 3.74Å; I259-H291 VanDerWaalsContact CD1-CE1 3.48Å; I259-H291 WeakPolarHBondContact CD1-CE1 3.32Å; I259-H291 WeakPolarHBondContact CD1-NE2 3.43Å; I259-L293 HydrophobicContact CD1-CD1 4.01Å
260F91.9Very high91.7Very high4 Ų418.6 Ų18.62%0.0189%0.089CC..Hα-helixtrans-65.5-50.8-178173.5-104.2000112.6I5 I8 F9 V184 I196 Y200 A256 L257 R258 N262 D263I5-F260 HydrophobicContact CG1-CE2 4.24Å; I5-F260 HydrophobicContact CG2-CE2 3.98Å; I5-F260 HydrophobicContact CG2-CZ 4.42Å; I8-F260 HydrophobicContact CB-CZ 4.17Å; I8-F260 HydrophobicContact CD1-CZ 4.49Å; I8-F260 HydrophobicContact CG2-CE1 4.03Å; I8-F260 HydrophobicContact CG2-CE2 4.47Å; I8-F260 HydrophobicContact CG2-CZ 3.45Å; I8-F260 VanDerWaalsContact CG2-CZ 3.45Å; F9-F260 HydrophobicContact CD2-CZ 4.05Å; F9-F260 AromaticContact CE2-CE1 3.98Å; F9-F260 HydrophobicContact CE2-CE1 3.98Å; F9-F260 HydrophobicContact CE2-CE2 4.25Å; F9-F260 AromaticContact CE2-CZ 3.72Å; F9-F260 HydrophobicContact CE2-CZ 3.72Å; V184-F260 HydrophobicContact CG1-CD1 4.17Å; V184-F260 HydrophobicContact CG1-CE1 4.01Å; V184-F260 HydrophobicContact CG2-CD1 4.32Å; V184-F260 HydrophobicContact CG2-CE1 3.94Å; I196-F260 HydrophobicContact CD1-CD1 3.83Å; I196-F260 HydrophobicContact CD1-CD2 4.11Å; I196-F260 HydrophobicContact CD1-CE1 3.81Å; I196-F260 HydrophobicContact CD1-CE2 4.06Å; I196-F260 HydrophobicContact CD1-CG 4Å; I196-F260 HydrophobicContact CD1-CZ 3.94Å; I196-F260 HydrophobicContact CG1-CD1 4.47Å; I196-F260 HydrophobicContact CG1-CD2 4.01Å; I196-F260 HydrophobicContact CG1-CE2 4.24Å; I196-F260 HydrophobicContact CG1-CG 4.14Å; I196-F260 HydrophobicContact CG2-CB 3.92Å; I196-F260 HydrophobicContact CG2-CG 4.09Å; Y200-F260 HydrophobicContact CD2-CB 3.95Å; Y200-F260 HydrophobicContact CD2-CD2 4.34Å; Y200-F260 HydrophobicContact CE2-CB 4.05Å; Y200-F260 AromaticContact CE2-CD2 3.65Å; Y200-F260 HydrophobicContact CE2-CD2 3.65Å; Y200-F260 HydrophobicContact CE2-CG 4.3Å; A256-F260 VanDerWaalsContact O-CB 3.24Å; A256-F260 WeakPolarHBondContact O-CB 3.36Å; A256-F260 PolarHBondContact O-N 3.37Å; L257-F260 PolarHBondContact O-N 3.11Å; R258-F260 VanDerWaalsContact C-N 3.31Å; R258-F260 PolarHBondContact O-N 2.93Å; F260-N262 VanDerWaalsContact C-N 3.26Å; F260-N262 PolarHBondContact O-N 3.15Å; F260-D263 PolarHBondContact O-N 3.4Å
261I91.7Very high91.5Very high4 Ų418.6 Ų18.62%0.0219%0.089CC..Hα-helixtrans-63.9-36.2-176.5-68.9158000111.1F9 M166 R167 A181 V184 L257F9-I261 WeakPolarHBondContact CZ-O 3.48Å; M166-I261 HydrophobicContact CB-CD1 4.09Å; M166-I261 HydrophobicContact SD-CD1 4.49Å; R167-I261 HydrophobicContact CG-CG2 3.78Å; A181-I261 HydrophobicContact CB-CD1 3.38Å; V184-I261 HydrophobicContact CG2-CG1 4.11Å; L257-I261 HydrophobicContact CB-CD1 4.21Å; L257-I261 WeakPolarHBondContact O-CB 3.37Å; L257-I261 VanDerWaalsContact O-CD1 3.26Å; L257-I261 WeakPolarHBondContact O-CD1 3.2Å; L257-I261 WeakPolarHBondContact O-CG1 3.23Å; L257-I261 PolarHBondContact O-N 3.42Å
262N91.3Very high91.3Very high2 Ų216.6 Ų16.61%0.0118%0.077CC..THydrogen-bonded Turntrans-92.60.3-178.3-64.6-70.9000113.1R89 M166 M168 R258 F260 E264R89-N262 PolarHBondContact NH1-O 3.18Å; R89-N262 PolarHBondContact NH2-O 3.41Å; M166-N262 PolarHBondContact O-ND2 3.06Å; M168-N262 WeakPolarHBondContact CB-OD1 3.48Å; M168-N262 HydrophobicContact CG-CB 4.43Å; M168-N262 WeakPolarHBondContact CG-OD1 3.24Å; M168-N262 PolarHBondContact N-OD1 3.21Å; M168-N262 HydrophobicContact SD-CB 4Å; R258-N262 WeakPolarHBondContact O-CB 3.48Å; R258-N262 PolarHBondContact O-N 3.39Å; R258-N262 VanDerWaalsContact O-N 3.15Å; R258-N262 PolarHBondContact O-ND2 3.11Å; F260-N262 VanDerWaalsContact C-N 3.26Å; F260-N262 PolarHBondContact O-N 3.15Å; N262-E264 HydrophobicContact CB-CG 3.58Å; N262-E264 PolarHBondContact O-N 2.91Å
263D89.3Confident91Very high12 Ų1217.6 Ų17.66%0.0649%0.086CC..THydrogen-bonded Turntrans51.734.6-175.9-159.630000112.8I259 F260 L265 N266 E267I259-D263 PolarHBondContact O-N 3.26Å; I259-D263 VanDerWaalsContact O-N 3.07Å; F260-D263 PolarHBondContact O-N 3.4Å; D263-L265 VanDerWaalsContact C-N 3.34Å; D263-L265 PolarHBondContact O-N 2.78Å; D263-N266 VanDerWaalsContact CG-CB 3.49Å; D263-N266 PolarHBondContact O-N 2.93Å; D263-N266 VanDerWaalsContact O-N 3.16Å; D263-N266 WeakPolarHBondContact OD1-CB 3.42Å; D263-N266 WeakPolarHBondContact OD2-CB 3.49Å; D263-N266 PolarHBondContact OD2-ND2 3.2Å; D263-E267 PolarHBondContact O-N 3.25Å
264E91.8Very high90.5Very high17 Ų1718.6 Ų18.68%0.0799%0.091CC..Hα-helixtrans-60.5-40.1-163-60.6-178.2-170.500112.8M168 R258 I259 N262 L268M168-E264 HydrophobicContact CE-CG 4.42Å; M168-E264 WeakPolarHBondContact CE-OE1 3.44Å; R258-E264 WeakPolarHBondContact CG-OE1 3.45Å; R258-E264 IonicContact CZ-OE1 2.81Å; R258-E264 IonicContact CZ-OE2 3.59Å; R258-E264 VanDerWaalsContact NH1-CD 3.26Å; R258-E264 IonicContact NH1-OE1 3.54Å; R258-E264 PolarHBondContact NH1-OE1 2.7Å; R258-E264 IonicContact NH1-OE2 3.53Å; R258-E264 PolarHBondContact NH1-OE2 3.43Å; I259-E264 HydrophobicContact CG2-CB 4.33Å; I259-E264 PolarHBondContact O-N 3.38Å; N262-E264 HydrophobicContact CB-CG 3.58Å; N262-E264 PolarHBondContact O-N 2.91Å; E264-L268 WeakPolarHBondContact O-CB 3.45Å; E264-L268 PolarHBondContact O-N 3.16Å
265L87.8Confident90.2Very high3 Ų318.2 Ų18.22%0.0169%0.09CC..Hα-helixtrans-72.6-33.5-178.3-60.5-174.7000112.8Y200 I259 D263 C269 L293 E294 L297 L311Y200-L265 HydrophobicContact CD1-CD1 3.9Å; Y200-L265 HydrophobicContact CE1-CD1 4.07Å; I259-L265 HydrophobicContact CG2-CD1 4.16Å; I259-L265 HydrophobicContact CG2-CD2 4.47Å; I259-L265 HydrophobicContact CG2-CG 3.74Å; D263-L265 VanDerWaalsContact C-N 3.34Å; D263-L265 PolarHBondContact O-N 2.78Å; L265-C269 PolarHBondContact O-N 3.21Å; L265-C269 VanDerWaalsContact O-N 3.11Å; L265-C269 PolarHBondContact O-SG 3.5Å; L265-C269 VanDerWaalsContact O-SG 3.42Å; L265-L293 HydrophobicContact CD1-CB 4.13Å; L265-L293 HydrophobicContact CD1-CD1 4.27Å; L265-L293 HydrophobicContact CD2-CB 4.01Å; L265-E294 HydrophobicContact CD2-CG 4.39Å; L265-L297 HydrophobicContact CB-CD1 4.02Å; L265-L297 HydrophobicContact CD2-CD1 4.02Å; L265-L297 HydrophobicContact CG-CD1 4.46Å; L265-L311 HydrophobicContact CB-CD1 4.08Å
266N83.2Confident89.8Confident29 Ų2918.8 Ų18.816%0.1559%0.092CC..Hα-helixtrans-73.8-43.2177.2-178.563.1000110.6D263 L268 C269 I270 L311D263-N266 VanDerWaalsContact CG-CB 3.49Å; D263-N266 PolarHBondContact O-N 2.93Å; D263-N266 VanDerWaalsContact O-N 3.16Å; D263-N266 WeakPolarHBondContact OD1-CB 3.42Å; D263-N266 WeakPolarHBondContact OD2-CB 3.49Å; D263-N266 PolarHBondContact OD2-ND2 3.2Å; N266-L268 VanDerWaalsContact C-N 3.3Å; N266-L268 PolarHBondContact O-N 2.93Å; N266-C269 WeakPolarHBondContact O-CB 3.4Å; N266-C269 PolarHBondContact O-N 3.39Å; N266-I270 WeakPolarHBondContact O-CG1 3.41Å; N266-I270 PolarHBondContact O-N 2.98Å; N266-I270 VanDerWaalsContact O-N 3.09Å; N266-L311 HydrophobicContact CB-CD2 3.64Å
267E88.2Confident89.4Confident9 Ų923.3 Ų23.34%0.04211%0.112CC..Hα-helixtrans-57.2-45.7171.1-71.7-61.1146.800110.6R117 F118 S119 D263 C269 I270 G271R117-E267 HydrophobicContact CB-CG 4.39Å; R117-E267 VanDerWaalsContact CB-OE2 3.31Å; R117-E267 WeakPolarHBondContact CB-OE2 3.25Å; F118-E267 WeakPolarHBondContact CB-OE2 3.45Å; F118-E267 HydrophobicContact CD2-CB 4.4Å; F118-E267 WeakPolarHBondContact CD2-O 3.36Å; F118-E267 PolarHBondContact N-OE2 3.01Å; S119-E267 WeakPolarHBondContact CB-OE1 3.32Å; S119-E267 PolarHBondContact N-OE2 3.3Å; S119-E267 PolarHBondContact OG-OE1 3.15Å; S119-E267 PolarHBondContact OG-OE2 2.77Å; D263-E267 PolarHBondContact O-N 3.25Å; E267-C269 PolarHBondContact O-N 2.89Å; E267-I270 PolarHBondContact O-N 2.8Å; E267-I270 VanDerWaalsContact O-N 3.12Å; E267-G271 PolarHBondContact O-N 3.36Å
268L90.6Very high89.1Confident2 Ų223.8 Ų23.81%0.0112%0.115CC..Hα-helixtrans-55.9-45.7174.8174.958.5000112.9M140 L142 E264 N266 I270 G271 L272 E294 L297 V298M140-L268 HydrophobicContact SD-CD1 4.38Å; L142-L268 HydrophobicContact CD1-CD1 3.67Å; L142-L268 HydrophobicContact CD1-CD2 3.77Å; L142-L268 HydrophobicContact CD1-CG 4.35Å; L142-L268 HydrophobicContact CD2-CD1 3.74Å; L142-L268 HydrophobicContact CG-CD1 4.35Å; E264-L268 WeakPolarHBondContact O-CB 3.45Å; E264-L268 PolarHBondContact O-N 3.16Å; N266-L268 VanDerWaalsContact C-N 3.3Å; N266-L268 PolarHBondContact O-N 2.93Å; L268-I270 VanDerWaalsContact C-N 3.32Å; L268-I270 PolarHBondContact O-N 3.28Å; L268-G271 PolarHBondContact O-N 3.07Å; L268-L272 HydrophobicContact CD1-CD1 3.95Å; L268-L272 HydrophobicContact CD1-CD2 4.41Å; L268-L272 HydrophobicContact CD1-CG 3.92Å; L268-L272 HydrophobicContact CG-CD1 3.99Å; L268-L272 HydrophobicContact CG-CG 4.42Å; L268-L272 VanDerWaalsContact O-CG 3.29Å; L268-L272 WeakPolarHBondContact O-CG 3.49Å; L268-L272 PolarHBondContact O-N 3.36Å; L268-E294 HydrophobicContact CD2-CB 4.15Å; L268-E294 HydrophobicContact CD2-CG 4.14Å; L268-L297 HydrophobicContact CD2-CB 4.06Å; L268-L297 HydrophobicContact CD2-CD1 4.02Å; L268-V298 HydrophobicContact CD2-CG2 4.5Å
269C85.6Confident89.1Confident23 Ų2322.5 Ų22.516%0.15511%0.11CC..Hα-helixtrans-56.9-47175.8-74.20000111.7L265 N266 E267 G271 L272 E273L265-C269 PolarHBondContact O-N 3.21Å; L265-C269 VanDerWaalsContact O-N 3.11Å; L265-C269 PolarHBondContact O-SG 3.5Å; L265-C269 VanDerWaalsContact O-SG 3.42Å; N266-C269 WeakPolarHBondContact O-CB 3.4Å; N266-C269 PolarHBondContact O-N 3.39Å; E267-C269 PolarHBondContact O-N 2.89Å; C269-G271 VanDerWaalsContact C-N 3.35Å; C269-G271 PolarHBondContact O-N 3.48Å; C269-L272 PolarHBondContact O-N 3.24Å; C269-E273 PolarHBondContact O-N 2.94Å; C269-E273 VanDerWaalsContact O-N 3.12Å
270I84.5Confident89.3Confident45 Ų4526.1 Ų26.123%0.23113%0.125CC..Hα-helixtrans-63-42.8177.5-64.9167000110.8N266 E267 L268 L272 E273 L274N266-I270 WeakPolarHBondContact O-CG1 3.41Å; N266-I270 PolarHBondContact O-N 2.98Å; N266-I270 VanDerWaalsContact O-N 3.09Å; E267-I270 PolarHBondContact O-N 2.8Å; E267-I270 VanDerWaalsContact O-N 3.12Å; L268-I270 VanDerWaalsContact C-N 3.32Å; L268-I270 PolarHBondContact O-N 3.28Å; I270-L272 VanDerWaalsContact C-N 3.34Å; I270-L272 PolarHBondContact O-N 3.04Å; I270-E273 PolarHBondContact O-N 3.23Å; I270-L274 HydrophobicContact CG2-CD1 3.78Å; I270-L274 HydrophobicContact CG2-CG 4.24Å; I270-L274 WeakPolarHBondContact O-CB 3.4Å; I270-L274 VanDerWaalsContact O-CG 3.29Å; I270-L274 WeakPolarHBondContact O-CG 3.22Å; I270-L274 PolarHBondContact O-N 3.46Å
271G88.9Confident89.5Confident0 Ų029.4 Ų29.40%015%0.147CC..Hα-helixtrans-59.2-44.1176.500000112.4M140 E267 L268 C269 E273 L274 A275M140-G271 WeakPolarHBondContact CE-O 3.48Å; E267-G271 PolarHBondContact O-N 3.36Å; L268-G271 PolarHBondContact O-N 3.07Å; C269-G271 VanDerWaalsContact C-N 3.35Å; C269-G271 PolarHBondContact O-N 3.48Å; G271-E273 VanDerWaalsContact C-N 3.35Å; G271-E273 PolarHBondContact O-N 3.37Å; G271-L274 PolarHBondContact O-N 3.34Å; G271-A275 WeakPolarHBondContact O-CB 3.49Å; G271-A275 PolarHBondContact O-N 2.93Å
272L89.2Confident89.7Confident9 Ų931.1 Ų31.15%0.04717%0.166CC..Hα-helixtrans-63.2-39.7177.5-69167.4000111.9M140 L268 C269 I270 A275 E276 L285M140-L272 HydrophobicContact SD-CD2 4.46Å; L268-L272 HydrophobicContact CD1-CD1 3.95Å; L268-L272 HydrophobicContact CD1-CD2 4.41Å; L268-L272 HydrophobicContact CD1-CG 3.92Å; L268-L272 HydrophobicContact CG-CD1 3.99Å; L268-L272 HydrophobicContact CG-CG 4.42Å; L268-L272 VanDerWaalsContact O-CG 3.29Å; L268-L272 WeakPolarHBondContact O-CG 3.49Å; L268-L272 PolarHBondContact O-N 3.36Å; C269-L272 PolarHBondContact O-N 3.24Å; I270-L272 VanDerWaalsContact C-N 3.34Å; I270-L272 PolarHBondContact O-N 3.04Å; L272-A275 PolarHBondContact O-N 2.77Å; L272-E276 PolarHBondContact O-N 3.07Å; L272-E276 VanDerWaalsContact O-N 3.13Å; L272-L285 HydrophobicContact CD2-CD2 3.97Å
273E86.1Confident90Very high133 Ų13331.1 Ų31.162%0.62117%0.166SC*.Hα-helixtrans-65.7-45.6174.2-71175.9-170.400111.9C269 I270 G271 A275 E276 F277C269-E273 PolarHBondContact O-N 2.94Å; C269-E273 VanDerWaalsContact O-N 3.12Å; I270-E273 PolarHBondContact O-N 3.23Å; G271-E273 VanDerWaalsContact C-N 3.35Å; G271-E273 PolarHBondContact O-N 3.37Å; E273-A275 VanDerWaalsContact C-N 3.29Å; E273-A275 PolarHBondContact O-N 3.27Å; E273-E276 WeakPolarHBondContact O-CB 3.48Å; E273-E276 PolarHBondContact O-N 2.96Å; E273-F277 WeakPolarHBondContact O-CB 3.1Å; E273-F277 PolarHBondContact O-N 2.64Å; E273-F277 VanDerWaalsContact O-N 3.11Å
274L86.6Confident90.4Very high22 Ų2232.3 Ų32.312%0.11517%0.17CC..Hα-helixtrans-61.7-38.7176-71.5170000111.7F118 L121 P122 I270 G271 F277 L278F118-L274 WeakPolarHBondContact O-CD1 3.23Å; L121-L274 HydrophobicContact CB-CD1 4.21Å; L121-L274 HydrophobicContact CD2-CD1 4.31Å; P122-L274 HydrophobicContact CG-CD2 3.74Å; I270-L274 HydrophobicContact CG2-CD1 3.78Å; I270-L274 HydrophobicContact CG2-CG 4.24Å; I270-L274 WeakPolarHBondContact O-CB 3.4Å; I270-L274 VanDerWaalsContact O-CG 3.29Å; I270-L274 WeakPolarHBondContact O-CG 3.22Å; I270-L274 PolarHBondContact O-N 3.46Å; G271-L274 PolarHBondContact O-N 3.34Å; L274-F277 PolarHBondContact O-N 3.44Å; L274-L278 WeakPolarHBondContact O-CB 3.26Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.28Å; L274-L278 PolarHBondContact O-N 3Å
275A91.5Very high90.7Very high0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-63.9-4217700000111.9I138 M140 G271 L272 E273 F277 L279 L285 W348I138-A275 HydrophobicContact CD1-CB 3.84Å; I138-A275 HydrophobicContact CG2-CB 4.28Å; M140-A275 HydrophobicContact CE-CB 3.82Å; G271-A275 WeakPolarHBondContact O-CB 3.49Å; G271-A275 PolarHBondContact O-N 2.93Å; L272-A275 PolarHBondContact O-N 2.77Å; E273-A275 VanDerWaalsContact C-N 3.29Å; E273-A275 PolarHBondContact O-N 3.27Å; A275-F277 PolarHBondContact O-N 3.45Å; A275-L279 VanDerWaalsContact O-CB 3.29Å; A275-L279 WeakPolarHBondContact O-CB 3.22Å; A275-L279 VanDerWaalsContact O-CG 3.32Å; A275-L279 WeakPolarHBondContact O-CG 3.37Å; A275-L279 PolarHBondContact O-N 3.41Å; A275-L285 HydrophobicContact CB-CD1 3.94Å; A275-L285 HydrophobicContact CB-CD2 3.92Å; A275-L285 HydrophobicContact CB-CG 4.47Å; A275-W348 HydrophobicContact CB-CH2 4.48Å
276E87.1Confident91.3Very high52 Ų5231.4 Ų31.424%0.24317%0.166CC..Hα-helixtrans-59.7-36.8174.6-164-160.911800112.4L272 E273 K347 W348 R378L272-E276 PolarHBondContact O-N 3.07Å; L272-E276 VanDerWaalsContact O-N 3.13Å; E273-E276 WeakPolarHBondContact O-CB 3.48Å; E273-E276 PolarHBondContact O-N 2.96Å; E276-K347 HydrophobicContact CG-CD 4.16Å; E276-K347 WeakPolarHBondContact OE1-CD 3.3Å; E276-K347 WeakPolarHBondContact OE1-CE 3.49Å; E276-K347 IonicContact OE1-NZ 2.59Å; E276-K347 PolarHBondContact OE1-NZ 3.32Å; E276-K347 IonicContact OE2-NZ 3.74Å; E276-W348 HydrophobicContact CB-CZ2 3.87Å; E276-W348 HydrophobicContact CG-CZ2 4.14Å; E276-R378 PolarHBondContact O-NE 3.35Å
277F86.7Confident92Very high95 Ų9530 Ų3042%0.41716%0.158SC..Hα-helixtrans-79.7-36.7-176.2-175.9-110.9000113.7Y132 Q133 E273 L274 A275Y132-F277 AromaticContact CD1-CD1 3.97Å; Y132-F277 HydrophobicContact CD1-CD1 3.97Å; Y132-F277 AromaticContact CD1-CE1 3.11Å; Y132-F277 HydrophobicContact CD1-CE1 3.11Å; Y132-F277 HydrophobicContact CD1-CE2 4.22Å; Y132-F277 AromaticContact CD1-CZ 3.26Å; Y132-F277 HydrophobicContact CD1-CZ 3.26Å; Y132-F277 HydrophobicContact CD2-CE2 4.44Å; Y132-F277 AromaticContact CD2-CZ 3.9Å; Y132-F277 HydrophobicContact CD2-CZ 3.9Å; Y132-F277 HydrophobicContact CE1-CD1 4.24Å; Y132-F277 AromaticContact CE1-CE1 3.06Å; Y132-F277 HydrophobicContact CE1-CE1 3.06Å; Y132-F277 HydrophobicContact CE1-CE2 4.41Å; Y132-F277 AromaticContact CE1-CZ 3.17Å; Y132-F277 HydrophobicContact CE1-CZ 3.17Å; Y132-F277 HydrophobicContact CE2-CE1 4.49Å; Y132-F277 AromaticContact CE2-CZ 3.77Å; Y132-F277 HydrophobicContact CE2-CZ 3.77Å; Y132-F277 AromaticContact CG-CE1 3.93Å; Y132-F277 HydrophobicContact CG-CE1 3.93Å; Y132-F277 HydrophobicContact CG-CE2 4.24Å; Y132-F277 AromaticContact CG-CZ 3.64Å; Y132-F277 HydrophobicContact CG-CZ 3.64Å; Y132-F277 AromaticContact CZ-CE1 3.78Å; Y132-F277 AromaticContact CZ-CZ 3.39Å; Q133-F277 PolarHBondContact N-O 3.31Å; E273-F277 WeakPolarHBondContact O-CB 3.1Å; E273-F277 PolarHBondContact O-N 2.64Å; E273-F277 VanDerWaalsContact O-N 3.11Å; L274-F277 PolarHBondContact O-N 3.44Å; A275-F277 PolarHBondContact O-N 3.45Å
278L90.8Very high92.5Very high10 Ų1029.6 Ų29.65%0.05216%0.156CC..Hα-helixtrans-88.3-32.2-175.8-68.9173.2000113.4L61 L121 L125 L130 Q133 S134 V135 I138 L274L61-L278 HydrophobicContact CD2-CD1 3.93Å; L121-L278 HydrophobicContact CD2-CD1 3.95Å; L125-L278 HydrophobicContact CD1-CD1 4.42Å; L130-L278 HydrophobicContact CD2-CD2 4.22Å; Q133-L278 CarbonylContact C-O 3.59Å; Q133-L278 VanDerWaalsContact CA-O 3.27Å; Q133-L278 WeakPolarHBondContact CA-O 3.3Å; Q133-L278 PolarHBondContact N-O 2.97Å; S134-L278 PolarHBondContact N-O 3.15Å; V135-L278 WeakPolarHBondContact CB-O 3.28Å; V135-L278 HydrophobicContact CG2-CB 4.01Å; V135-L278 PolarHBondContact N-O 2.96Å; I138-L278 HydrophobicContact CD1-CB 4.13Å; L274-L278 WeakPolarHBondContact O-CB 3.26Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.28Å; L274-L278 PolarHBondContact O-N 3Å
279L96Very high92.8Very high0 Ų029.6 Ų29.60%016%0.156CC..EExtended strand (participates in β ladder)trans-67.9135.2179.9-77.3169.7000111.7V135 I138 A275 Y284 L285 W348 R378V135-L279 HydrophobicContact CB-CD2 4.27Å; V135-L279 HydrophobicContact CG1-CD2 4.13Å; V135-L279 WeakPolarHBondContact O-CA 3.43Å; V135-L279 WeakPolarHBondContact O-CD2 3.41Å; I138-L279 HydrophobicContact CB-CD1 4.48Å; I138-L279 HydrophobicContact CB-CD2 4.33Å; I138-L279 HydrophobicContact CB-CG 4.49Å; I138-L279 HydrophobicContact CD1-CD1 4.24Å; I138-L279 HydrophobicContact CD1-CD2 4.05Å; I138-L279 HydrophobicContact CD1-CG 3.66Å; I138-L279 HydrophobicContact CG1-CD1 4.43Å; I138-L279 HydrophobicContact CG1-CD2 3.76Å; I138-L279 HydrophobicContact CG1-CG 3.93Å; A275-L279 VanDerWaalsContact O-CB 3.29Å; A275-L279 WeakPolarHBondContact O-CB 3.22Å; A275-L279 VanDerWaalsContact O-CG 3.32Å; A275-L279 WeakPolarHBondContact O-CG 3.37Å; A275-L279 PolarHBondContact O-N 3.41Å; L279-Y284 WeakPolarHBondContact CD2-O 3.39Å; L279-L285 HydrophobicContact CD1-CB 3.8Å; L279-W348 HydrophobicContact CD1-CH2 3.74Å; L279-W348 HydrophobicContact CD1-CZ3 3.81Å; L279-R378 HydrophobicContact CB-CB 4.03Å; L279-R378 HydrophobicContact CB-CG 4.27Å
280K96.6Very high93.2Very high77 Ų7730.7 Ų30.734%0.33516%0.159SC..EExtended strand (participates in β ladder)trans-69.9157.9168.774.4-179.3-177.7-174.60111.1Q133 V135 D136 G282 G283 R378Q133-K280 WeakPolarHBondContact O-CA 3.34Å; Q133-K280 WeakPolarHBondContact O-CB 3.49Å; V135-K280 PolarHBondContact O-N 2.95Å; D136-K280 WeakPolarHBondContact OD1-CE 3.35Å; D136-K280 IonicContact OD1-NZ 3.71Å; D136-K280 PolarHBondContact OD1-NZ 3.16Å; D136-K280 IonicContact OD2-NZ 2.65Å; K280-G282 PolarHBondContact O-N 3.07Å; K280-G283 WeakPolarHBondContact O-CA 3.32Å; K280-G283 PolarHBondContact O-N 3.33Å; K280-R378 WeakPolarHBondContact O-CB 3.44Å
281P95.2Very high93.6Very high74 Ų7429.4 Ų29.448%0.48115%0.152SC..EExtended strand (participates in β ladder)trans-52.2129166.2-25.935.3000111.3G283P281-G283 VanDerWaalsContact C-N 3.29Å; P281-G283 PolarHBondContact O-N 3.44Å
282G96.3Very high93.7Very high40 Ų4031.2 Ų31.241%0.41216%0.164SC..EExtended strand (participates in β ladder)trans82.2-7.2-173.400000115.6K280 R378K280-G282 PolarHBondContact O-N 3.07Å; G282-R378 WeakPolarHBondContact CA-O 3.3Å; G282-R378 PolarHBondContact N-O 3.05Å
283G97.9Very high93.7Very high1 Ų130.8 Ų30.81%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-68.1156.9173.500000112.3D136 K280 P281 K377 R378D136-G283 CarbonylContact O-C 3.58Å; D136-G283 WeakPolarHBondContact O-CA 3.42Å; K280-G283 WeakPolarHBondContact O-CA 3.32Å; K280-G283 PolarHBondContact O-N 3.33Å; P281-G283 VanDerWaalsContact C-N 3.29Å; P281-G283 PolarHBondContact O-N 3.44Å; G283-K377 CarbonylContact O-C 3.55Å; G283-K377 VanDerWaalsContact O-CA 3.26Å; G283-K377 WeakPolarHBondContact O-CA 3.42Å; G283-R378 PolarHBondContact O-N 3.21Å
284Y98.4Very high94Very high38 Ų3824.6 Ų24.615%0.14913%0.133CC..EExtended strand (participates in β ladder)trans-105.6135.3-172.3-71.4-93.2000112.4Y51 T52 D136 L137 I138 L279 V351 I375 A376 K377Y51-Y284 VanDerWaalsContact O-CE1 3.3Å; Y51-Y284 WeakPolarHBondContact O-CE1 3.16Å; Y51-Y284 VanDerWaalsContact O-CZ 3.32Å; Y51-Y284 PolarHBondContact O-OH 3.1Å; T52-Y284 HydrophobicContact CG2-CD1 4.07Å; T52-Y284 HydrophobicContact CG2-CG 4.06Å; D136-Y284 PolarHBondContact O-N 3.17Å; L137-Y284 CarbonylContact C-O 3.48Å; L137-Y284 WeakPolarHBondContact CA-O 3.34Å; I138-Y284 PolarHBondContact N-O 3.3Å; L279-Y284 WeakPolarHBondContact CD2-O 3.39Å; Y284-V351 HydrophobicContact CD1-CG2 4.4Å; Y284-V351 HydrophobicContact CE1-CG2 4.06Å; Y284-I375 HydrophobicContact CD1-CG2 3.68Å; Y284-I375 HydrophobicContact CE1-CG2 4.35Å; Y284-A376 WeakPolarHBondContact CA-O 3.38Å; Y284-K377 HydrophobicContact CD1-CG 3.78Å; Y284-K377 HydrophobicContact CE1-CD 4.14Å; Y284-K377 HydrophobicContact CE1-CG 3.71Å; Y284-K377 HydrophobicContact CE2-CG 4.5Å; Y284-K377 HydrophobicContact CG-CG 4.29Å; Y284-K377 WeakPolarHBondContact OH-CE 3.29Å; Y284-K377 PolarHBondContact OH-NZ 3.23Å; Y284-K377 VanDerWaalsContact OH-NZ 3.11Å
285L98.3Very high94.3Very high0 Ų024.3 Ų24.30%013%0.132CC..EExtended strand (participates in β ladder)trans-105.9121.5161.4176.156.1000108.8I138 M140 L272 A275 L279 V287 F302 W348 I375 A376I138-L285 HydrophobicContact CB-CD1 4.08Å; I138-L285 HydrophobicContact CG2-CD1 3.81Å; I138-L285 WeakPolarHBondContact O-CA 3.43Å; M140-L285 HydrophobicContact CE-CD1 4.05Å; M140-L285 HydrophobicContact SD-CD1 4.26Å; L272-L285 HydrophobicContact CD2-CD2 3.97Å; A275-L285 HydrophobicContact CB-CD1 3.94Å; A275-L285 HydrophobicContact CB-CD2 3.92Å; A275-L285 HydrophobicContact CB-CG 4.47Å; L279-L285 HydrophobicContact CD1-CB 3.8Å; L285-V287 HydrophobicContact CD1-CG2 3.9Å; L285-V287 HydrophobicContact CD2-CG2 4.23Å; L285-V287 HydrophobicContact CG-CG2 3.8Å; L285-F302 HydrophobicContact CD2-CE1 3.73Å; L285-F302 HydrophobicContact CD2-CZ 4.21Å; L285-F302 HydrophobicContact CG-CE1 4.34Å; L285-F302 HydrophobicContact CG-CZ 4.33Å; L285-W348 HydrophobicContact CB-CE3 4.46Å; L285-W348 HydrophobicContact CB-CH2 3.7Å; L285-W348 HydrophobicContact CB-CZ3 3.5Å; L285-W348 VanDerWaalsContact CB-CZ3 3.5Å; L285-W348 HydrophobicContact CD2-CH2 3.49Å; L285-W348 VanDerWaalsContact CD2-CH2 3.49Å; L285-W348 HydrophobicContact CD2-CZ2 3.9Å; L285-W348 HydrophobicContact CD2-CZ3 4Å; L285-W348 HydrophobicContact CG-CH2 4.25Å; L285-W348 HydrophobicContact CG-CZ3 4.42Å; L285-I375 WeakPolarHBondContact O-CA 3.15Å; L285-A376 PolarHBondContact N-O 3.22Å; L285-A376 PolarHBondContact O-N 3.33Å
286V98.7Very high94.1Very high0 Ų027.1 Ų27.10%014%0.142CC..EExtended strand (participates in β ladder)trans-108.2123.7175.9175.10000108.1I48 T52 L137 I138 L139 M140 L373 I375I48-V286 HydrophobicContact CD1-CG1 3.94Å; I48-V286 HydrophobicContact CG1-CG1 3.83Å; I48-V286 HydrophobicContact CG2-CG1 4.32Å; I48-V286 HydrophobicContact CG2-CG2 4.43Å; T52-V286 HydrophobicContact CG2-CG2 3.58Å; L137-V286 HydrophobicContact CD1-CG2 3.66Å; I138-V286 PolarHBondContact O-N 3.33Å; L139-V286 CarbonylContact C-O 3.24Å; L139-V286 WeakPolarHBondContact CA-O 3.21Å; L139-V286 HydrophobicContact CB-CB 4.4Å; L139-V286 HydrophobicContact CD1-CB 4.5Å; L139-V286 HydrophobicContact CD1-CG1 4.06Å; L139-V286 HydrophobicContact CG-CB 4.32Å; L139-V286 HydrophobicContact CG-CG1 4.12Å; M140-V286 PolarHBondContact N-O 3.37Å; V286-L373 HydrophobicContact CG1-CD1 3.7Å; V286-I375 HydrophobicContact CG1-CG1 4.43Å; V286-I375 HydrophobicContact CG2-CD1 4.26Å; V286-I375 HydrophobicContact CG2-CG1 4.11Å; V286-I375 HydrophobicContact CG2-CG2 4.15Å
287V98.5Very high94.1Very high0 Ų025.2 Ų25.20%013%0.134CC..EExtended strand (participates in β ladder)trans-129.2122.2176.8-168.20000110.8M140 L142 L285 V298 F302 L373 R374M140-V287 HydrophobicContact CB-CG1 4.24Å; M140-V287 HydrophobicContact CB-CG2 4.43Å; M140-V287 CarbonylContact O-C 3.49Å; M140-V287 VanDerWaalsContact O-CA 3.29Å; M140-V287 WeakPolarHBondContact O-CA 3.33Å; M140-V287 HydrophobicContact SD-CG2 4.48Å; L142-V287 HydrophobicContact CD1-CG1 3.58Å; L142-V287 HydrophobicContact CG-CG1 4.01Å; L285-V287 HydrophobicContact CD1-CG2 3.9Å; L285-V287 HydrophobicContact CD2-CG2 4.23Å; L285-V287 HydrophobicContact CG-CG2 3.8Å; V287-V298 HydrophobicContact CB-CG1 4.02Å; V287-V298 HydrophobicContact CB-CG2 4.26Å; V287-V298 HydrophobicContact CG1-CG1 4.27Å; V287-V298 HydrophobicContact CG1-CG2 3.58Å; V287-V298 HydrophobicContact CG2-CG1 4.08Å; V287-F302 HydrophobicContact CG2-CZ 4.39Å; V287-L373 WeakPolarHBondContact O-CA 3.37Å; V287-R374 PolarHBondContact N-O 3.33Å; V287-R374 PolarHBondContact O-N 2.69Å
288L98.4Very high94.2Very high0 Ų020.8 Ų20.80%011%0.114CC..EExtended strand (participates in β ladder)trans-98.5128164.8-72.6161.1000108.2I43 M44 I48 M140 D141 L142 F290 K372 L373I43-L288 HydrophobicContact CB-CD1 4.45Å; I43-L288 HydrophobicContact CG2-CD2 4.14Å; M44-L288 HydrophobicContact SD-CD2 4.27Å; I48-L288 HydrophobicContact CD1-CD1 4.18Å; M140-L288 PolarHBondContact O-N 3.32Å; D141-L288 HydrophobicContact CB-CB 4.47Å; D141-L288 HydrophobicContact CB-CD1 4.22Å; D141-L288 WeakPolarHBondContact OD1-CB 3.33Å; D141-L288 WeakPolarHBondContact OD1-CD1 3.24Å; L142-L288 VanDerWaalsContact CB-O 3.25Å; L142-L288 WeakPolarHBondContact CB-O 3.44Å; L142-L288 VanDerWaalsContact CG-O 3.24Å; L142-L288 WeakPolarHBondContact CG-O 3.29Å; L142-L288 PolarHBondContact N-O 3.06Å; L288-F290 HydrophobicContact CB-CE2 4.32Å; L288-K372 WeakPolarHBondContact CA-O 3.34Å; L288-L373 HydrophobicContact CD2-CB 3.67Å; L288-L373 HydrophobicContact CD2-CD1 4.12Å; L288-L373 HydrophobicContact CD2-CG 4.4Å; L288-L373 HydrophobicContact CG-CD1 4.21Å
289S97.2Very high94Very high2 Ų224.5 Ų24.51%0.01413%0.13CC..EExtended strand (participates in β ladder)trans-125.7149.2177.755.60000110.2D295 A371 K372S289-D295 WeakPolarHBondContact OG-CB 3.15Å; S289-A371 CarbonylContact O-C 3.5Å; S289-A371 WeakPolarHBondContact O-CA 3.46Å; S289-K372 PolarHBondContact N-O 3.44Å; S289-K372 PolarHBondContact O-N 3.34Å; S289-K372 PolarHBondContact OG-O 2.99Å
290F95.3Very high93.4Very high47 Ų4727.6 Ų27.621%0.20614%0.142CC..  trans-119-9.9-172.1-65.8-92.8000113.4I43 D141 L142 L288 E294 S370 A371I43-F290 HydrophobicContact CD1-CE1 3.59Å; I43-F290 HydrophobicContact CD1-CZ 3.73Å; D141-F290 WeakPolarHBondContact OD1-CE2 3.44Å; D141-F290 WeakPolarHBondContact OD1-CZ 3.48Å; L142-F290 WeakPolarHBondContact O-CD2 3.25Å; L142-F290 WeakPolarHBondContact O-CE2 3.44Å; L288-F290 HydrophobicContact CB-CE2 4.32Å; F290-E294 PolarHBondContact N-OE2 2.98Å; F290-S370 WeakPolarHBondContact O-CB 3.27Å; F290-S370 PolarHBondContact O-OG 2.9Å; F290-A371 HydrophobicContact CD1-CB 4.14Å; F290-A371 HydrophobicContact CE1-CB 3.77Å; F290-A371 HydrophobicContact CZ-CB 4.32Å
291H92.7Very high92.8Very high17 Ų1725.4 Ų25.48%0.07914%0.136CC..SBendtrans-142.4166.8172.858.376.5000113.9I259 L293 E294 D295I259-H291 VanDerWaalsContact CD1-CE1 3.48Å; I259-H291 WeakPolarHBondContact CD1-CE1 3.32Å; I259-H291 WeakPolarHBondContact CD1-NE2 3.43Å; H291-L293 VanDerWaalsContact C-N 3.25Å; H291-L293 PolarHBondContact ND1-N 3.44Å; H291-L293 PolarHBondContact O-N 3.36Å; H291-E294 IonicContact CD2-OE1 3.36Å; H291-E294 IonicContact CD2-OE2 2.9Å; H291-E294 VanDerWaalsContact CE1-CD 3.49Å; H291-E294 WeakPolarHBondContact CE1-CG 3.33Å; H291-E294 IonicContact CE1-OE1 2.63Å; H291-E294 IonicContact CE1-OE2 3.64Å; H291-E294 IonicContact CG-OE2 2.7Å; H291-E294 PolarHBondContact N-OE2 2.86Å; H291-E294 PolarHBondContact ND1-N 3.35Å; H291-E294 VanDerWaalsContact NE2-CD 3.27Å; H291-E294 IonicContact NE2-OE1 3.44Å; H291-E294 PolarHBondContact NE2-OE1 2.84Å; H291-E294 IonicContact NE2-OE2 2.84Å; H291-E294 PolarHBondContact O-N 3.5Å; H291-D295 PolarHBondContact O-N 3.09Å
292S90.4Very high92.2Very high38 Ų3822.1 Ų22.127%0.26611%0.114SC..Hα-helixtrans-58.2-33.8-174.467.40000113.6E202 R296E202-S292 PolarHBondContact OE2-OG 3.07Å; S292-R296 WeakPolarHBondContact O-CB 3.33Å; S292-R296 PolarHBondContact O-N 3.02Å; S292-R296 VanDerWaalsContact O-N 3.13Å
293L89.2Confident91.3Very high0 Ų025.4 Ų25.40%012%0.119CC..Hα-helixtrans-68-46.8-178.5-53.7170.9000111.8Y200 E202 I259 L265 H291 L297 Y314Y200-L293 WeakPolarHBondContact O-CD1 3.04Å; E202-L293 HydrophobicContact CG-CD2 4.16Å; I259-L293 HydrophobicContact CD1-CD1 4.01Å; L265-L293 HydrophobicContact CD1-CB 4.13Å; L265-L293 HydrophobicContact CD1-CD1 4.27Å; L265-L293 HydrophobicContact CD2-CB 4.01Å; H291-L293 VanDerWaalsContact C-N 3.25Å; H291-L293 PolarHBondContact ND1-N 3.44Å; H291-L293 PolarHBondContact O-N 3.36Å; L293-L297 PolarHBondContact O-N 2.79Å; L293-Y314 WeakPolarHBondContact CD2-OH 3.29Å
294E92.8Very high89.5Confident4 Ų427.1 Ų27.12%0.01913%0.131CC..Hα-helixtrans-62.2-56.1175.4-74.6161168.500111L142 G143 L265 L268 F290 H291 R296 L297 V298L142-E294 HydrophobicContact CB-CG 4.36Å; L142-E294 HydrophobicContact CD1-CB 3.94Å; L142-E294 HydrophobicContact CD1-CG 3.97Å; G143-E294 PolarHBondContact N-OE1 3.31Å; L265-E294 HydrophobicContact CD2-CG 4.39Å; L268-E294 HydrophobicContact CD2-CB 4.15Å; L268-E294 HydrophobicContact CD2-CG 4.14Å; F290-E294 PolarHBondContact N-OE2 2.98Å; H291-E294 IonicContact CD2-OE1 3.36Å; H291-E294 IonicContact CD2-OE2 2.9Å; H291-E294 VanDerWaalsContact CE1-CD 3.49Å; H291-E294 WeakPolarHBondContact CE1-CG 3.33Å; H291-E294 IonicContact CE1-OE1 2.63Å; H291-E294 IonicContact CE1-OE2 3.64Å; H291-E294 IonicContact CG-OE2 2.7Å; H291-E294 PolarHBondContact N-OE2 2.86Å; H291-E294 PolarHBondContact ND1-N 3.35Å; H291-E294 VanDerWaalsContact NE2-CD 3.27Å; H291-E294 IonicContact NE2-OE1 3.44Å; H291-E294 PolarHBondContact NE2-OE1 2.84Å; H291-E294 IonicContact NE2-OE2 2.84Å; H291-E294 PolarHBondContact O-N 3.5Å; E294-R296 PolarHBondContact O-N 2.77Å; E294-R296 VanDerWaalsContact O-N 3.09Å; E294-L297 PolarHBondContact O-N 2.88Å; E294-V298 WeakPolarHBondContact O-CG2 3.37Å; E294-V298 PolarHBondContact O-N 2.71Å
295D91.7Very high87.4Confident15 Ų1529.3 Ų29.38%0.0815%0.145CC..Hα-helixtrans-55.6-34.4-177.1-18043.4000112S289 H291 K299 K372 R374S289-D295 WeakPolarHBondContact OG-CB 3.15Å; H291-D295 PolarHBondContact O-N 3.09Å; D295-K299 VanDerWaalsContact O-CB 3.27Å; D295-K299 WeakPolarHBondContact O-CB 3.38Å; D295-K299 PolarHBondContact O-N 3.13Å; D295-K372 HydrophobicContact CB-CD 4.15Å; D295-K372 WeakPolarHBondContact OD2-CD 3.37Å; D295-K372 IonicContact OD2-NZ 3.24Å; D295-K372 PolarHBondContact OD2-NZ 2.81Å; D295-R374 IonicContact OD1-CZ 2.63Å; D295-R374 VanDerWaalsContact OD1-CZ 3.25Å; D295-R374 IonicContact OD1-NE 3.69Å; D295-R374 PolarHBondContact OD1-NE 3.3Å; D295-R374 IonicContact OD1-NH2 2.9Å; D295-R374 PolarHBondContact OD1-NH2 3.41Å; D295-R374 IonicContact OD2-NH2 2.76Å
296R88.9Confident84.9Confident60 Ų6037.9 Ų37.923%0.22618%0.179CC..Hα-helixtrans-67.5-44.9176.4-173.8-178.5-64113.72.9112.1E202 S292 E294 K299 W300 Y314 R318E202-R296 IonicContact OE1-NH1 3.72Å; E202-R296 IonicContact OE1-NH2 3.25Å; S292-R296 WeakPolarHBondContact O-CB 3.33Å; S292-R296 PolarHBondContact O-N 3.02Å; S292-R296 VanDerWaalsContact O-N 3.13Å; E294-R296 PolarHBondContact O-N 2.77Å; E294-R296 VanDerWaalsContact O-N 3.09Å; R296-K299 PolarHBondContact O-N 2.87Å; R296-W300 HydrophobicContact CG-CD2 4.18Å; R296-W300 HydrophobicContact CG-CZ2 4.08Å; R296-W300 WeakPolarHBondContact O-CB 3.29Å; R296-W300 VanDerWaalsContact O-CG 3.28Å; R296-W300 PolarHBondContact O-N 3.44Å; R296-Y314 PolarHBondContact NH1-OH 2.9Å; R296-R318 VanDerWaalsContact NH1-NH1 3.13Å
297L85.6Confident82.4Confident12 Ų1246.1 Ų46.16%0.06321%0.214CC..Hα-helixtrans-63.6-42.8177.3-68.8176.2000111.1L265 L268 L293 E294 W300 S301 L311 Y314L265-L297 HydrophobicContact CB-CD1 4.02Å; L265-L297 HydrophobicContact CD2-CD1 4.02Å; L265-L297 HydrophobicContact CG-CD1 4.46Å; L268-L297 HydrophobicContact CD2-CB 4.06Å; L268-L297 HydrophobicContact CD2-CD1 4.02Å; L293-L297 PolarHBondContact O-N 2.79Å; E294-L297 PolarHBondContact O-N 2.88Å; L297-W300 HydrophobicContact CD2-CE3 4.34Å; L297-W300 PolarHBondContact O-N 3.06Å; L297-S301 PolarHBondContact O-N 3.44Å; L297-L311 HydrophobicContact CD1-CD1 4.38Å; L297-Y314 HydrophobicContact CD2-CD1 4.22Å; L297-Y314 HydrophobicContact CD2-CG 4.41Å
298V89.7Confident80.1Confident1 Ų150.9 Ų50.91%0.00624%0.236CC..Hα-helixtrans-62.4-48.6176.3-178.50000111L142 L268 V287 E294 W300 S301 F302 R374L142-V298 HydrophobicContact CD1-CG2 4.38Å; L268-V298 HydrophobicContact CD2-CG2 4.5Å; V287-V298 HydrophobicContact CB-CG1 4.02Å; V287-V298 HydrophobicContact CB-CG2 4.26Å; V287-V298 HydrophobicContact CG1-CG1 4.27Å; V287-V298 HydrophobicContact CG1-CG2 3.58Å; V287-V298 HydrophobicContact CG2-CG1 4.08Å; E294-V298 WeakPolarHBondContact O-CG2 3.37Å; E294-V298 PolarHBondContact O-N 2.71Å; V298-W300 VanDerWaalsContact C-N 3.26Å; V298-W300 PolarHBondContact O-N 2.74Å; V298-S301 PolarHBondContact O-N 2.98Å; V298-F302 HydrophobicContact CG1-CD1 4.48Å; V298-F302 HydrophobicContact CG1-CD2 4.47Å; V298-F302 HydrophobicContact CG1-CE1 4.05Å; V298-F302 HydrophobicContact CG1-CE2 4.07Å; V298-F302 HydrophobicContact CG1-CZ 3.84Å; V298-F302 PolarHBondContact O-N 2.72Å; V298-R374 HydrophobicContact CG1-CB 4.29Å
299K86.9Confident77.8Confident88 Ų8853.7 Ų53.738%0.38325%0.251SS..Hα-helixtrans-56.8-43.6177.1-175.9177.966.1176.60111.1D295 R296 F302 H303D295-K299 VanDerWaalsContact O-CB 3.27Å; D295-K299 WeakPolarHBondContact O-CB 3.38Å; D295-K299 PolarHBondContact O-N 3.13Å; R296-K299 PolarHBondContact O-N 2.87Å; K299-F302 PolarHBondContact O-N 3.29Å; K299-H303 WeakPolarHBondContact O-CB 3.27Å; K299-H303 PolarHBondContact O-N 2.94Å; K299-H303 VanDerWaalsContact O-N 3.08Å; K299-H303 PolarHBondContact O-ND1 3.46Å
300W82.7Confident75.6Confident66 Ų6657 Ų5725%0.2527%0.271CS..Hα-helixtrans-64.2-46177.6-72.4-12.2000112.2R296 L297 V298 F302 H303 S304 L309 Y314R296-W300 HydrophobicContact CG-CD2 4.18Å; R296-W300 HydrophobicContact CG-CZ2 4.08Å; R296-W300 WeakPolarHBondContact O-CB 3.29Å; R296-W300 VanDerWaalsContact O-CG 3.28Å; R296-W300 PolarHBondContact O-N 3.44Å; L297-W300 HydrophobicContact CD2-CE3 4.34Å; L297-W300 PolarHBondContact O-N 3.06Å; V298-W300 VanDerWaalsContact C-N 3.26Å; V298-W300 PolarHBondContact O-N 2.74Å; W300-F302 PolarHBondContact O-N 2.85Å; W300-H303 PolarHBondContact O-N 2.96Å; W300-S304 WeakPolarHBondContact O-CA 3.47Å; W300-S304 WeakPolarHBondContact O-CB 3.42Å; W300-S304 PolarHBondContact O-N 3.48Å; W300-S304 PolarHBondContact O-OG 3.05Å; W300-L309 HydrophobicContact CD2-CD2 4.09Å; W300-L309 HydrophobicContact CE3-CD2 3.37Å; W300-L309 HydrophobicContact CH2-CD2 3.72Å; W300-L309 HydrophobicContact CZ2-CD2 4.42Å; W300-L309 HydrophobicContact CZ3-CD2 3.15Å; W300-Y314 HydrophobicContact CE3-CD2 4.41Å; W300-Y314 AromaticContact CH2-CD2 3.38Å; W300-Y314 HydrophobicContact CH2-CD2 3.38Å; W300-Y314 AromaticContact CH2-CE2 3.93Å; W300-Y314 HydrophobicContact CH2-CE2 3.93Å; W300-Y314 HydrophobicContact CH2-CG 4.35Å; W300-Y314 AromaticContact CZ3-CD2 3.25Å; W300-Y314 HydrophobicContact CZ3-CD2 3.25Å; W300-Y314 AromaticContact CZ3-CE2 3.99Å; W300-Y314 HydrophobicContact CZ3-CE2 3.99Å; W300-Y314 AromaticContact CZ3-CG 3.81Å; W300-Y314 HydrophobicContact CZ3-CG 3.81Å
301S83.2Confident73.5Confident31 Ų3155.5 Ų55.522%0.21727%0.266CS..Hα-helixtrans-54.7-39.8175173.60000112.2L297 V298 W348L297-S301 PolarHBondContact O-N 3.44Å; V298-S301 PolarHBondContact O-N 2.98Å; S301-W348 VanDerWaalsContact O-CD1 3.23Å
302F84.2Confident71.6Confident4 Ų457.1 Ų57.12%0.01828%0.278CS..Hα-helixtrans-76.4-27.1-178.8-69.36.9000114.4L285 V287 V298 K299 W300 S346 W348 R374 A376L285-F302 HydrophobicContact CD2-CE1 3.73Å; L285-F302 HydrophobicContact CD2-CZ 4.21Å; L285-F302 HydrophobicContact CG-CE1 4.34Å; L285-F302 HydrophobicContact CG-CZ 4.33Å; V287-F302 HydrophobicContact CG2-CZ 4.39Å; V298-F302 HydrophobicContact CG1-CD1 4.48Å; V298-F302 HydrophobicContact CG1-CD2 4.47Å; V298-F302 HydrophobicContact CG1-CE1 4.05Å; V298-F302 HydrophobicContact CG1-CE2 4.07Å; V298-F302 HydrophobicContact CG1-CZ 3.84Å; V298-F302 PolarHBondContact O-N 2.72Å; K299-F302 PolarHBondContact O-N 3.29Å; W300-F302 PolarHBondContact O-N 2.85Å; F302-S346 PolarHBondContact O-OG 2.68Å; F302-W348 HydrophobicContact CD1-CD2 4.38Å; F302-W348 HydrophobicContact CD1-CG 4.24Å; F302-R374 HydrophobicContact CD2-CB 4.46Å; F302-R374 HydrophobicContact CE2-CB 3.73Å; F302-R374 HydrophobicContact CZ-CB 4.5Å; F302-A376 HydrophobicContact CD1-CB 4.16Å; F302-A376 HydrophobicContact CD2-CB 3.73Å; F302-A376 HydrophobicContact CE1-CB 3.97Å; F302-A376 HydrophobicContact CE2-CB 3.47Å; F302-A376 VanDerWaalsContact CE2-CB 3.47Å; F302-A376 HydrophobicContact CG-CB 4.07Å; F302-A376 HydrophobicContact CZ-CB 3.62Å
303H75.9Confident69.8Low109 Ų10960 Ų6051%0.50529%0.286SS..Hα-helixtrans-105.3-16.6-174.9-66.172000113.9K299 W300 D305K299-H303 WeakPolarHBondContact O-CB 3.27Å; K299-H303 PolarHBondContact O-N 2.94Å; K299-H303 VanDerWaalsContact O-N 3.08Å; K299-H303 PolarHBondContact O-ND1 3.46Å; W300-H303 PolarHBondContact O-N 2.96Å; H303-D305 PolarHBondContact O-N 3.17Å
304S60.7Low68.2Low38 Ų3860.2 Ų60.227%0.26629%0.287SS..  trans-86.3112.3-166.3-63.70000112.2W300 Y306W300-S304 WeakPolarHBondContact O-CA 3.47Å; W300-S304 WeakPolarHBondContact O-CB 3.42Å; W300-S304 PolarHBondContact O-N 3.48Å; W300-S304 PolarHBondContact O-OG 3.05Å; S304-Y306 PolarHBondContact O-N 3.44Å
305D53.8Low66.3Low84 Ų8460.1 Ų60.145%0.44929%0.287SS..  trans-69.2-4.4151.3-60.2-34.6000111.8H303 K307 I344 S346H303-D305 PolarHBondContact O-N 3.17Å; D305-K307 PolarHBondContact O-N 3.41Å; D305-K307 VanDerWaalsContact O-N 3.07Å; D305-I344 VanDerWaalsContact CG-O 3.24Å; D305-S346 PolarHBondContact OD1-N 3.16Å
306Y47Very low64.4Low180 Ų18061.9 Ų61.971%0.70630%0.3SS*.  trans-76.193.2-178.9-67.8-85.1000111.8S304 H308S304-Y306 PolarHBondContact O-N 3.44Å; Y306-H308 PolarHBondContact O-N 2.87Å
307K46.7Very low62.6Low172 Ų17265 Ų6575%0.74832%0.317SS*.THydrogen-bonded Turntrans-52-9171.9-75.1-176.9175.8179.60116.2D305D305-K307 PolarHBondContact O-N 3.41Å; D305-K307 VanDerWaalsContact O-N 3.07Å
308H49.5Very low61Low100 Ų10069.7 Ų69.746%0.46333%0.334SS..THydrogen-bonded Turntrans-135.616.9-160.7-108-79.8000116.4Y306 T310Y306-H308 PolarHBondContact O-N 2.87Å; H308-T310 VanDerWaalsContact C-N 3.29Å; H308-T310 PolarHBondContact O-N 3.15Å
309L49.8Very low58.7Low59 Ų5970.3 Ų70.331%0.30934%0.339SS..  trans-83.878.7174-128.591.4000111W300 K313W300-L309 HydrophobicContact CD2-CD2 4.09Å; W300-L309 HydrophobicContact CE3-CD2 3.37Å; W300-L309 HydrophobicContact CH2-CD2 3.72Å; W300-L309 HydrophobicContact CZ2-CD2 4.42Å; W300-L309 HydrophobicContact CZ3-CD2 3.15Å; L309-K313 HydrophobicContact CD1-CD 4.02Å; L309-K313 HydrophobicContact CG-CD 4.39Å
310T51.4Low56.5Low72 Ų7277.4 Ų77.444%0.44236%0.363SS..  trans-63.2149.9168.451.30000110.3H308 S312 K313 Y314H308-T310 VanDerWaalsContact C-N 3.29Å; H308-T310 PolarHBondContact O-N 3.15Å; T310-S312 PolarHBondContact O-N 3.37Å; T310-S312 VanDerWaalsContact O-N 3.1Å; T310-S312 PolarHBondContact OG1-OG 3.02Å; T310-K313 WeakPolarHBondContact O-CA 3.27Å; T310-K313 WeakPolarHBondContact O-CB 3.46Å; T310-K313 PolarHBondContact O-N 2.92Å; T310-Y314 PolarHBondContact O-N 2.9Å; T310-Y314 VanDerWaalsContact O-N 3.13Å
311L50.9Low54.3Low16 Ų1681.3 Ų81.38%0.08438%0.384CS..Hα-helixtrans-51.4-35.2173.5-17870.9000111.5L265 N266 L297 K313 Y314 L315L265-L311 HydrophobicContact CB-CD1 4.08Å; N266-L311 HydrophobicContact CB-CD2 3.64Å; L297-L311 HydrophobicContact CD1-CD1 4.38Å; L311-K313 VanDerWaalsContact C-N 3.33Å; L311-K313 PolarHBondContact O-N 3.23Å; L311-Y314 HydrophobicContact CD1-CD1 3.95Å; L311-Y314 WeakPolarHBondContact O-CB 3.37Å; L311-Y314 PolarHBondContact O-N 3.42Å; L311-Y314 VanDerWaalsContact O-N 3.16Å; L311-L315 HydrophobicContact CD1-CD1 4.24Å; L311-L315 HydrophobicContact CD1-CD2 4.3Å; L311-L315 HydrophobicContact CD1-CG 4.11Å; L311-L315 HydrophobicContact CD2-CD1 4.11Å; L311-L315 HydrophobicContact CG-CD1 3.79Å; L311-L315 HydrophobicContact CG-CG 4.03Å; L311-L315 VanDerWaalsContact O-CG 3.3Å; L311-L315 WeakPolarHBondContact O-CG 3.5Å; L311-L315 PolarHBondContact O-N 3.48Å
312S52Low51.9Low50 Ų5081.7 Ų81.735%0.3538%0.381SS..Hα-helixtrans-61.1-38.9174.761.50000112.6T310 S316T310-S312 PolarHBondContact O-N 3.37Å; T310-S312 VanDerWaalsContact O-N 3.1Å; T310-S312 PolarHBondContact OG1-OG 3.02Å; S312-S316 WeakPolarHBondContact O-CB 3.35Å; S312-S316 PolarHBondContact O-N 3.19Å; S312-S316 PolarHBondContact O-OG 2.72Å
313K53.6Low49.3Very low98 Ų9888.7 Ų88.743%0.42641%0.414SS..Hα-helixtrans-66.5-38.3174.2-161.7169.1-175.1171.60111.4L309 T310 L311 S316 Q317L309-K313 HydrophobicContact CD1-CD 4.02Å; L309-K313 HydrophobicContact CG-CD 4.39Å; T310-K313 WeakPolarHBondContact O-CA 3.27Å; T310-K313 WeakPolarHBondContact O-CB 3.46Å; T310-K313 PolarHBondContact O-N 2.92Å; L311-K313 VanDerWaalsContact C-N 3.33Å; L311-K313 PolarHBondContact O-N 3.23Å; K313-S316 WeakPolarHBondContact CA-OG 3.27Å; K313-S316 PolarHBondContact O-OG 2.99Å; K313-Q317 VanDerWaalsContact O-CG 3.3Å; K313-Q317 WeakPolarHBondContact O-CG 3.23Å; K313-Q317 PolarHBondContact O-N 2.88Å; K313-Q317 VanDerWaalsContact O-N 3.14Å
314Y54.5Low47.2Very low6 Ų687.5 Ų87.52%0.02442%0.417CS..Hα-helixtrans-63.3-54.2173.7170.8-118.6000112.8L293 R296 L297 W300 T310 L311 S316 Q317L293-Y314 WeakPolarHBondContact CD2-OH 3.29Å; R296-Y314 PolarHBondContact NH1-OH 2.9Å; L297-Y314 HydrophobicContact CD2-CD1 4.22Å; L297-Y314 HydrophobicContact CD2-CG 4.41Å; W300-Y314 HydrophobicContact CE3-CD2 4.41Å; W300-Y314 AromaticContact CH2-CD2 3.38Å; W300-Y314 HydrophobicContact CH2-CD2 3.38Å; W300-Y314 AromaticContact CH2-CE2 3.93Å; W300-Y314 HydrophobicContact CH2-CE2 3.93Å; W300-Y314 HydrophobicContact CH2-CG 4.35Å; W300-Y314 AromaticContact CZ3-CD2 3.25Å; W300-Y314 HydrophobicContact CZ3-CD2 3.25Å; W300-Y314 AromaticContact CZ3-CE2 3.99Å; W300-Y314 HydrophobicContact CZ3-CE2 3.99Å; W300-Y314 AromaticContact CZ3-CG 3.81Å; W300-Y314 HydrophobicContact CZ3-CG 3.81Å; T310-Y314 PolarHBondContact O-N 2.9Å; T310-Y314 VanDerWaalsContact O-N 3.13Å; L311-Y314 HydrophobicContact CD1-CD1 3.95Å; L311-Y314 WeakPolarHBondContact O-CB 3.37Å; L311-Y314 PolarHBondContact O-N 3.42Å; L311-Y314 VanDerWaalsContact O-N 3.16Å; Y314-S316 VanDerWaalsContact C-N 3.3Å; Y314-S316 PolarHBondContact O-N 2.91Å; Y314-Q317 PolarHBondContact O-N 2.91Å
315L53.3Low45.9Very low2 Ų292.3 Ų92.31%0.0144%0.439CS..Hα-helixtrans-67.5-33.5-176.9-58.5177.4000111.1I199 L311 R318 S319I199-L315 HydrophobicContact CG2-CD2 3.52Å; I199-L315 HydrophobicContact CG2-CG 4.4Å; L311-L315 HydrophobicContact CD1-CD1 4.24Å; L311-L315 HydrophobicContact CD1-CD2 4.3Å; L311-L315 HydrophobicContact CD1-CG 4.11Å; L311-L315 HydrophobicContact CD2-CD1 4.11Å; L311-L315 HydrophobicContact CG-CD1 3.79Å; L311-L315 HydrophobicContact CG-CG 4.03Å; L311-L315 VanDerWaalsContact O-CG 3.3Å; L311-L315 WeakPolarHBondContact O-CG 3.5Å; L311-L315 PolarHBondContact O-N 3.48Å; L315-R318 PolarHBondContact O-N 2.99Å; L315-S319 PolarHBondContact O-N 2.81Å
316S51.3Low44.9Very low52 Ų5293.2 Ų93.236%0.36444%0.443SS..Hα-helixtrans-70.6-34.5176.460.10000113.7S312 K313 Y314 R318 S319S312-S316 WeakPolarHBondContact O-CB 3.35Å; S312-S316 PolarHBondContact O-N 3.19Å; S312-S316 PolarHBondContact O-OG 2.72Å; K313-S316 WeakPolarHBondContact CA-OG 3.27Å; K313-S316 PolarHBondContact O-OG 2.99Å; Y314-S316 VanDerWaalsContact C-N 3.3Å; Y314-S316 PolarHBondContact O-N 2.91Å; S316-R318 PolarHBondContact O-N 3.06Å; S316-R318 VanDerWaalsContact O-N 3.17Å; S316-S319 PolarHBondContact O-N 3Å
317Q52.8Low44.2Very low124 Ų12490.6 Ų90.658%0.57944%0.436SS*.Hα-helixtrans-60.8-24.5173.5-78.2176.124.700112.9K313 Y314K313-Q317 VanDerWaalsContact O-CG 3.3Å; K313-Q317 WeakPolarHBondContact O-CG 3.23Å; K313-Q317 PolarHBondContact O-N 2.88Å; K313-Q317 VanDerWaalsContact O-N 3.14Å; Y314-Q317 PolarHBondContact O-N 2.91Å
318R50.6Low43.6Very low111 Ų11191.4 Ų91.442%0.41943%0.434SS..Hα-helixtrans-94-25.2-178.4-65.1-160.972.6140.5-2.6114.5E202 R296 L315 S316E202-R318 IonicContact OE1-CZ 3.83Å; E202-R318 IonicContact OE1-NH1 2.96Å; E202-R318 PolarHBondContact OE1-NH1 2.89Å; E202-R318 IonicContact OE1-NH2 3.76Å; E202-R318 PolarHBondContact OE1-NH2 2.92Å; R296-R318 VanDerWaalsContact NH1-NH1 3.13Å; L315-R318 PolarHBondContact O-N 2.99Å; S316-R318 PolarHBondContact O-N 3.06Å; S316-R318 VanDerWaalsContact O-N 3.17Å
319S41.9Very low42.9Very low15 Ų1594.1 Ų94.111%0.10545%0.447CS..  trans-110.9111.3-178.8171.30000109.9L315 S316 H321 F322L315-S319 PolarHBondContact O-N 2.81Å; S316-S319 PolarHBondContact O-N 3Å; S319-H321 PolarHBondContact O-N 3.1Å; S319-H321 PolarHBondContact OG-N 2.93Å; S319-H321 VanDerWaalsContact OG-N 3.13Å; S319-F322 PolarHBondContact O-N 3.23Å; S319-F322 PolarHBondContact OG-N 2.77Å
320R40.5Very low42.1Very low237 Ų23797 Ų9789%0.89446%0.459SS*.THydrogen-bonded Turntrans-54.3-18166.1-72.4-176.3180165.4-0.6112.3
321H36.1Very low41.4Very low148 Ų148102 Ų10269%0.68547%0.471SS*.THydrogen-bonded Turntrans-109.3-1.1-174.6-78.774.5000114.8S319 Q323S319-H321 PolarHBondContact O-N 3.1Å; S319-H321 PolarHBondContact OG-N 2.93Å; S319-H321 VanDerWaalsContact OG-N 3.13Å; H321-Q323 PolarHBondContact O-N 2.89Å
322F33.2Very low40.5Very low38 Ų38107.9 Ų107.917%0.16750%0.498CS..THydrogen-bonded Turntrans-78.119.3178-149.5-97.1000112.9N2 Y4 I199 S319 C324N2-F322 WeakPolarHBondContact ND2-CE1 3.47Å; N2-F322 VanDerWaalsContact ND2-CZ 3.34Å; N2-F322 WeakPolarHBondContact ND2-CZ 3.33Å; Y4-F322 HydrophobicContact CD1-CE2 4.18Å; Y4-F322 HydrophobicContact CD1-CZ 4.4Å; I199-F322 HydrophobicContact CD1-CD2 3.77Å; I199-F322 HydrophobicContact CD1-CE2 4Å; S319-F322 PolarHBondContact O-N 3.23Å; S319-F322 PolarHBondContact OG-N 2.77Å; F322-C324 PolarHBondContact O-N 2.91Å
323Q31Very low39.6Very low151 Ų151112.3 Ų112.371%0.70652%0.518SS*.THydrogen-bonded Turntrans-75.49.7174.4-72.4-172.2-3.500113.5H321 I325H321-Q323 PolarHBondContact O-N 2.89Å; Q323-I325 PolarHBondContact O-N 2.63Å; Q323-I325 VanDerWaalsContact O-N 3.13Å
324C30.4Very low38.5Very low84 Ų84113 Ų11357%0.56853%0.526SS*.SBendtrans-79.1101.4175.1-70.90000111.5F322F322-C324 PolarHBondContact O-N 2.91Å
325I33.6Very low37.4Very low140 Ų140121.6 Ų121.672%0.71857%0.567SS**SBendtrans71.256.2147.5-38.9168.7000116Q323Q323-I325 PolarHBondContact O-N 2.63Å; Q323-I325 VanDerWaalsContact O-N 3.13Å
326N33.3Very low36.4Very low102 Ų102127.1 Ų127.155%0.54560%0.595SS.*  trans-133.1117.8145.3-90.9-36.8000108.9R328N326-R328 PolarHBondContact O-N 3.37Å
327K32.6Very low35.5Very low125 Ų125128.2 Ų128.254%0.54360%0.602SS.*  trans-33.8107.7174.7-64.2166.5174179.60110.4Q329 E330K327-Q329 PolarHBondContact O-N 2.83Å; K327-Q329 VanDerWaalsContact O-N 3.08Å; K327-E330 HydrophobicContact CB-CB 4.42Å; K327-E330 HydrophobicContact CD-CB 4.47Å; K327-E330 VanDerWaalsContact CD-CD 3.46Å; K327-E330 HydrophobicContact CD-CG 4.19Å; K327-E330 WeakPolarHBondContact CD-OE2 3.25Å; K327-E330 IonicContact NZ-OE1 3Å; K327-E330 PolarHBondContact NZ-OE1 2.97Å; K327-E330 IonicContact NZ-OE2 2.57Å; K327-E330 PolarHBondContact NZ-OE2 3.07Å
328R34.3Very low34.6Very low189 Ų189131.4 Ų131.471%0.71361%0.614SS**THydrogen-bonded Turntrans-52.6-23.7167-101.6178176.5164.5-2.1112.1N326N326-R328 PolarHBondContact O-N 3.37Å
329Q33.6Very low33.8Very low157 Ų157135.2 Ų135.273%0.73464%0.637SS**THydrogen-bonded Turntrans-90.4-20.4-169.5-74.5173.7-35.500115.7K327 Y331K327-Q329 PolarHBondContact O-N 2.83Å; K327-Q329 VanDerWaalsContact O-N 3.08Å; Q329-Y331 VanDerWaalsContact C-N 3.34Å; Q329-Y331 PolarHBondContact O-N 3.24Å
330E33.7Very low33.5Very low121 Ų121138.1 Ų138.157%0.56566%0.657SS**THydrogen-bonded Turntrans-83.7-6.8-174.8-99.2171.7-167.200114.4K327K327-E330 HydrophobicContact CB-CB 4.42Å; K327-E330 HydrophobicContact CD-CB 4.47Å; K327-E330 VanDerWaalsContact CD-CD 3.46Å; K327-E330 HydrophobicContact CD-CG 4.19Å; K327-E330 WeakPolarHBondContact CD-OE2 3.25Å; K327-E330 IonicContact NZ-OE1 3Å; K327-E330 PolarHBondContact NZ-OE1 2.97Å; K327-E330 IonicContact NZ-OE2 2.57Å; K327-E330 PolarHBondContact NZ-OE2 3.07Å
331Y36.3Very low33.1Very low176 Ų176133.9 Ų133.969%0.6965%0.652SS**THydrogen-bonded Turntrans-126.35-179.9-63.3-79.6000113.8Q329Q329-Y331 VanDerWaalsContact C-N 3.34Å; Q329-Y331 PolarHBondContact O-N 3.24Å
332E32.3Very low33Very low140 Ų140129.6 Ų129.665%0.65465%0.647SS**THydrogen-bonded Turntrans-86.6-18.4171.7-83.4-178169.500112.5D334E332-D334 VanDerWaalsContact C-N 3.3Å; E332-D334 PolarHBondContact O-N 2.98Å
333D32Very low33.2Very low142 Ų142137 Ų13776%0.75968%0.682SS**  trans-81-1.4-176.8-73.3-16000114.8E335D333-E335 PolarHBondContact O-N 3.27Å
334D31.7Very low33.8Very low114 Ų114133.8 Ų133.861%0.6167%0.669SS**  trans-81.566.9164.1-74.6-32.3000109.3E332 I336E332-D334 VanDerWaalsContact C-N 3.3Å; E332-D334 PolarHBondContact O-N 2.98Å; D334-I336 PolarHBondContact O-N 3.3Å
335E31.5Very low35Very low186 Ų186138.6 Ų138.687%0.86968%0.68SS**  trans-63.476.5165.7-81.5-163.1146.200109.7D333 S337D333-E335 PolarHBondContact O-N 3.27Å; E335-S337 PolarHBondContact O-N 3Å; E335-S337 VanDerWaalsContact O-N 3.1Å
336I32.4Very low36.4Very low117 Ų117133.9 Ų133.960%0.666%0.66SS**  trans-74104.1165.4-61.4176.6000106.8D334 K338D334-I336 PolarHBondContact O-N 3.3Å; I336-K338 PolarHBondContact O-N 2.95Å
337S31.1Very low38.7Very low75 Ų75134 Ų13452%0.52466%0.656SS.*  trans-29.3120.7174.555.60000113.6E335 E339 S340E335-S337 PolarHBondContact O-N 3Å; E335-S337 VanDerWaalsContact O-N 3.1Å; S337-E339 PolarHBondContact O-N 3.32Å; S337-S340 PolarHBondContact O-OG 2.99Å
338K35.3Very low41.5Very low192 Ų192128.5 Ų128.584%0.83563%0.631SS**G310 helixtrans-61.1-8.2176.8-73.9179.8178.2171.40114.4I336I336-K338 PolarHBondContact O-N 2.95Å
339E33.7Very low44.2Very low191 Ų191124 Ų12489%0.89362%0.621SS**G310 helixtrans-85.1-4-173.4-69-178163.400114.6S337S337-E339 PolarHBondContact O-N 3.32Å
340S34.8Very low47Very low76 Ų76120 Ų12053%0.53161%0.609SS.*G310 helixtrans-107.533.1176.949.60000114.4S337 G342S337-S340 PolarHBondContact O-OG 2.99Å; S340-G342 PolarHBondContact O-N 3.14Å
341L32.9Very low49.8Very low148 Ų148116.8 Ų116.878%0.77560%0.598SS**  trans-79.140.8169.1-73.1169000112.3Q343L341-Q343 PolarHBondContact O-N 3.41Å
342G33.5Very low52.5Low57 Ų57110.7 Ų110.759%0.58858%0.577SS**SBendtrans-58.7126.9161.300000107.6S340 I344S340-G342 PolarHBondContact O-N 3.14Å; G342-I344 VanDerWaalsContact O-CG1 3.26Å; G342-I344 WeakPolarHBondContact O-CG1 3.5Å; G342-I344 PolarHBondContact O-N 3.22Å
343Q38Very low55Low195 Ų195105.6 Ų105.691%0.91156%0.562SS**  trans-32.391.5-178.9-115.7169.19.500112L341 K345L341-Q343 PolarHBondContact O-N 3.41Å; Q343-K345 PolarHBondContact O-N 3.09Å; Q343-K345 VanDerWaalsContact O-N 3.16Å
344I43.8Very low57.9Low83 Ų83102 Ų10243%0.42655%0.547SS..  trans-73.6113.6178.1-59.7-178.3000104.1D305 G342D305-I344 VanDerWaalsContact CG-O 3.24Å; G342-I344 VanDerWaalsContact O-CG1 3.26Å; G342-I344 WeakPolarHBondContact O-CG1 3.5Å; G342-I344 PolarHBondContact O-N 3.22Å
345K54.8Low61Low185 Ų18598.4 Ų98.480%0.80453%0.527SS*.  trans-70.3134.2177.1-73.7-179.6177.3178.10108.7Q343 K347Q343-K345 PolarHBondContact O-N 3.09Å; Q343-K345 VanDerWaalsContact O-N 3.16Å; K345-K347 PolarHBondContact O-N 3.44Å
346S63.4Low64.1Low40 Ų4093.9 Ų93.928%0.2851%0.512SS..  trans-48.8134168.2175.70000110.1F302 D305 W348F302-S346 PolarHBondContact O-OG 2.68Å; D305-S346 PolarHBondContact OD1-N 3.16Å; S346-W348 PolarHBondContact O-N 3.47Å; S346-W348 PolarHBondContact OG-N 3.21Å; S346-W348 PolarHBondContact OG-O 3.34Å; S346-W348 VanDerWaalsContact OG-O 3.12Å
347K82Confident67.1Low106 Ų10688.6 Ų88.646%0.46149%0.486SS..SBendtrans-72.1-4.9175.7-66.9-179.4-176.61710112.9E276 K345 R378 G379E276-K347 HydrophobicContact CG-CD 4.16Å; E276-K347 WeakPolarHBondContact OE1-CD 3.3Å; E276-K347 WeakPolarHBondContact OE1-CE 3.49Å; E276-K347 IonicContact OE1-NZ 2.59Å; E276-K347 PolarHBondContact OE1-NZ 3.32Å; E276-K347 IonicContact OE2-NZ 3.74Å; K345-K347 PolarHBondContact O-N 3.44Å; K347-R378 PolarHBondContact O-NH1 2.94Å; K347-G379 PolarHBondContact O-N 3.25Å
348W89.6Confident70.2Confident9 Ų988 Ų883%0.03448%0.482CS..EExtended strand (participates in β ladder)trans-123128.9-177.2-63.3103.5000110.9A275 E276 L279 L285 S301 F302 S346 A376 K377 R378A275-W348 HydrophobicContact CB-CH2 4.48Å; E276-W348 HydrophobicContact CB-CZ2 3.87Å; E276-W348 HydrophobicContact CG-CZ2 4.14Å; L279-W348 HydrophobicContact CD1-CH2 3.74Å; L279-W348 HydrophobicContact CD1-CZ3 3.81Å; L285-W348 HydrophobicContact CB-CE3 4.46Å; L285-W348 HydrophobicContact CB-CH2 3.7Å; L285-W348 HydrophobicContact CB-CZ3 3.5Å; L285-W348 VanDerWaalsContact CB-CZ3 3.5Å; L285-W348 HydrophobicContact CD2-CH2 3.49Å; L285-W348 VanDerWaalsContact CD2-CH2 3.49Å; L285-W348 HydrophobicContact CD2-CZ2 3.9Å; L285-W348 HydrophobicContact CD2-CZ3 4Å; L285-W348 HydrophobicContact CG-CH2 4.25Å; L285-W348 HydrophobicContact CG-CZ3 4.42Å; S301-W348 VanDerWaalsContact O-CD1 3.23Å; F302-W348 HydrophobicContact CD1-CD2 4.38Å; F302-W348 HydrophobicContact CD1-CG 4.24Å; S346-W348 PolarHBondContact O-N 3.47Å; S346-W348 PolarHBondContact OG-N 3.21Å; S346-W348 PolarHBondContact OG-O 3.34Å; S346-W348 VanDerWaalsContact OG-O 3.12Å; W348-A376 HydrophobicContact CB-CB 4.21Å; W348-A376 HydrophobicContact CD2-CB 4.4Å; W348-A376 HydrophobicContact CE3-CB 3.81Å; W348-K377 CarbonylContact C-O 3.53Å; W348-K377 WeakPolarHBondContact CA-O 3.41Å; W348-R378 HydrophobicContact CZ3-CB 4.33Å
349N92.1Very high73.1Confident94 Ų9485 Ų8550%0.50348%0.475SS..EExtended strand (participates in β ladder)trans-96.9104.8166.6-66.5-47000108.3V351 A376 K377N349-V351 PolarHBondContact O-N 3.4Å; N349-A376 CarbonylContact O-C 3.56Å; N349-A376 WeakPolarHBondContact O-CA 3.27Å; N349-K377 HydrophobicContact CB-CB 4.26Å; N349-K377 PolarHBondContact N-O 3.44Å; N349-K377 PolarHBondContact O-N 3.01Å
350C92Very high76Confident72 Ų7280.1 Ų80.149%0.48646%0.462SS..EExtended strand (participates in β ladder)trans-58.9119.1175.6-69.90000110.3
351V92.6Very high78.9Confident55 Ų5577.7 Ų77.733%0.33344%0.442SS..EExtended strand (participates in β ladder)trans-88.1-47.9177.9178.30000109.9Y51 Y284 N349 I375 K377Y51-V351 HydrophobicContact CD1-CG1 4.13Å; Y284-V351 HydrophobicContact CD1-CG2 4.4Å; Y284-V351 HydrophobicContact CE1-CG2 4.06Å; N349-V351 PolarHBondContact O-N 3.4Å; V351-I375 HydrophobicContact CB-CB 4.47Å; V351-I375 HydrophobicContact CB-CG2 4.32Å; V351-I375 WeakPolarHBondContact CB-O 3.28Å; V351-I375 PolarHBondContact N-O 3.32Å; V351-K377 HydrophobicContact CG2-CB 4.24Å; V351-K377 HydrophobicContact CG2-CD 4.07Å; V351-K377 HydrophobicContact CG2-CG 3.7Å
352I93.5Very high81.8Confident47 Ų4772.1 Ų72.124%0.24141%0.412CS..EExtended strand (participates in β ladder)trans-156.9149.4178.3-171.561.9000110Y51 I355 I375Y51-I352 HydrophobicContact CD1-CG2 4.24Å; Y51-I352 HydrophobicContact CD2-CG2 3.83Å; Y51-I352 HydrophobicContact CE1-CB 4.24Å; Y51-I352 HydrophobicContact CE1-CG1 4.43Å; Y51-I352 HydrophobicContact CE1-CG2 4.34Å; Y51-I352 HydrophobicContact CE2-CB 4.39Å; Y51-I352 HydrophobicContact CE2-CG1 4.16Å; Y51-I352 HydrophobicContact CE2-CG2 3.97Å; Y51-I352 HydrophobicContact CG-CG2 4Å; I352-I355 HydrophobicContact CD1-CG2 3.88Å; I352-I355 HydrophobicContact CG1-CD1 4Å; I352-I355 HydrophobicContact CG1-CG1 4.24Å; I352-I355 HydrophobicContact CG1-CG2 3.65Å; I352-I355 HydrophobicContact CG2-CD1 4.42Å; I352-I375 HydrophobicContact CG2-CB 3.83Å; I352-I375 HydrophobicContact CG2-CD1 4.01Å; I352-I375 HydrophobicContact CG2-CG1 3.96Å; I352-I375 PolarHBondContact N-O 3.35Å; I352-I375 PolarHBondContact O-N 2.88Å
353G84.6Confident84.6Confident33 Ų3375.8 Ų75.834%0.3442%0.418SS..EExtended strand (participates in β ladder)trans132.5161.3162.200000115.8
354P93.1Very high87.2Confident67 Ų6770.2 Ų70.244%0.43540%0.401SS..EExtended strand (participates in β ladder)cis-75.5134.20.432.6-30.6000110.3K372 L373 R374P354-K372 HydrophobicContact CB-CB 4.26Å; P354-K372 HydrophobicContact CB-CD 4.37Å; P354-K372 HydrophobicContact CB-CG 4.46Å; P354-L373 WeakPolarHBondContact CA-O 3.47Å; P354-R374 HydrophobicContact CB-CG 4.42Å
355I96.1Very high89.4Confident39 Ų3967 Ų6720%0.239%0.385CS..EExtended strand (participates in β ladder)trans-109.8145.516550.5169.3000108M44 E47 Y51 I352 K372 L373M44-I355 HydrophobicContact CE-CB 4.05Å; M44-I355 HydrophobicContact CE-CD1 3.69Å; M44-I355 HydrophobicContact CE-CG1 3.64Å; E47-I355 HydrophobicContact CB-CD1 4.13Å; E47-I355 HydrophobicContact CG-CD1 4.03Å; Y51-I355 HydrophobicContact CE2-CD1 4.12Å; I352-I355 HydrophobicContact CD1-CG2 3.88Å; I352-I355 HydrophobicContact CG1-CD1 4Å; I352-I355 HydrophobicContact CG1-CG1 4.24Å; I352-I355 HydrophobicContact CG1-CG2 3.65Å; I352-I355 HydrophobicContact CG2-CD1 4.42Å; I355-K372 WeakPolarHBondContact O-CA 3.29Å; I355-L373 HydrophobicContact CD1-CB 4.42Å; I355-L373 HydrophobicContact CD1-CD2 3.8Å; I355-L373 HydrophobicContact CD1-CG 4.19Å; I355-L373 HydrophobicContact CG1-CB 3.88Å; I355-L373 HydrophobicContact CG1-CD2 4.2Å; I355-L373 HydrophobicContact CG1-CG 4.09Å; I355-L373 PolarHBondContact N-O 2.91Å; I355-L373 PolarHBondContact O-N 3.33Å
356T97Very high91Very high91 Ų9161.7 Ų61.756%0.55837%0.369SS*.  trans-111.3158.8-179.853.90000109.6M44 K372M44-T356 WeakPolarHBondContact CE-O 3.45Å; T356-K372 HydrophobicContact CG2-CG 4.26Å
357P95.3Very high92.2Very high6 Ų664.4 Ų64.44%0.03937%0.373CS..  trans-57.2149.6174.7-28.739000112.1I43 M44 E361 I362 S368 A371I43-P357 HydrophobicContact CG2-CG 4.23Å; M44-P357 HydrophobicContact CG-CB 4.43Å; M44-P357 HydrophobicContact CG-CG 3.93Å; M44-P357 HydrophobicContact SD-CG 3.9Å; P357-E361 HydrophobicContact CB-CB 4.12Å; P357-E361 HydrophobicContact CB-CG 4.18Å; P357-I362 HydrophobicContact CB-CD1 4.49Å; P357-I362 HydrophobicContact CB-CG1 3.95Å; P357-S368 VanDerWaalsContact CG-O 3.31Å; P357-S368 WeakPolarHBondContact CG-O 3.4Å; P357-A371 VanDerWaalsContact CD-O 3.26Å; P357-A371 WeakPolarHBondContact CD-O 3.35Å; P357-A371 HydrophobicContact CG-CB 4.01Å
358S96.5Very high92.7Very high63 Ų6359.4 Ų59.444%0.44135%0.351SS..  trans-69.7158.1172.268.40000111.2S360 E361 I362S358-S360 PolarHBondContact O-N 3.04Å; S358-E361 WeakPolarHBondContact O-CA 3.47Å; S358-E361 WeakPolarHBondContact O-CB 3.16Å; S358-E361 PolarHBondContact O-N 2.95Å; S358-E361 PolarHBondContact OG-N 2.84Å; S358-I362 WeakPolarHBondContact O-CG1 3.4Å; S358-I362 PolarHBondContact O-N 3.21Å
359D95.8Very high92.8Very high129 Ų12967.1 Ų67.169%0.6938%0.381SS*.Hα-helixtrans-55.5-39.8175.7-63.8-32.3000111.7E361 I362 D363D359-E361 VanDerWaalsContact C-N 3.32Å; D359-E361 PolarHBondContact O-N 2.7Å; D359-I362 PolarHBondContact O-N 3.31Å; D359-I362 VanDerWaalsContact O-N 3.15Å; D359-D363 VanDerWaalsContact O-CG 3.3Å; D359-D363 PolarHBondContact O-N 3.06Å
360S95.7Very high92.9Very high88 Ų8865.8 Ų65.862%0.61538%0.379SS*.Hα-helixtrans-62.9-35.9175.8179.30000113.2S358 S364S358-S360 PolarHBondContact O-N 3.04Å; S360-S364 PolarHBondContact O-N 3.04Å; S360-S364 VanDerWaalsContact O-N 3.16Å; S360-S364 PolarHBondContact O-OG 2.9Å
361E94.9Very high93.1Very high25 Ų2562.4 Ų62.412%0.11736%0.356CS..Hα-helixtrans-71.9-39173.5-173.5178.7163.700111.2I43 M44 P357 S358 D359 D363 S364 N365I43-E361 WeakPolarHBondContact CA-OE1 3.33Å; M44-E361 PolarHBondContact N-OE1 2.97Å; P357-E361 HydrophobicContact CB-CB 4.12Å; P357-E361 HydrophobicContact CB-CG 4.18Å; S358-E361 WeakPolarHBondContact O-CA 3.47Å; S358-E361 WeakPolarHBondContact O-CB 3.16Å; S358-E361 PolarHBondContact O-N 2.95Å; S358-E361 PolarHBondContact OG-N 2.84Å; D359-E361 VanDerWaalsContact C-N 3.32Å; D359-E361 PolarHBondContact O-N 2.7Å; E361-D363 VanDerWaalsContact C-N 3.3Å; E361-D363 PolarHBondContact O-N 3.5Å; E361-S364 PolarHBondContact O-N 3.49Å; E361-S364 PolarHBondContact O-OG 3.42Å; E361-N365 CarbonylContact O-C 3.45Å; E361-N365 VanDerWaalsContact O-CA 3.32Å; E361-N365 WeakPolarHBondContact O-CA 3.24Å; E361-N365 WeakPolarHBondContact O-CB 3.03Å; E361-N365 PolarHBondContact O-N 3.06Å
362I93.4Very high93.3Very high31 Ų3163 Ų6316%0.15935%0.354CS..Hα-helixtrans-64-38.6176.9-63.8172.9000110.8P357 S358 D359 N365 P366 R369P357-I362 HydrophobicContact CB-CD1 4.49Å; P357-I362 HydrophobicContact CB-CG1 3.95Å; S358-I362 WeakPolarHBondContact O-CG1 3.4Å; S358-I362 PolarHBondContact O-N 3.21Å; D359-I362 PolarHBondContact O-N 3.31Å; D359-I362 VanDerWaalsContact O-N 3.15Å; I362-N365 CarbonylContact O-C 3.3Å; I362-N365 VanDerWaalsContact O-C 3.3Å; I362-P366 WeakPolarHBondContact O-CA 3.2Å; I362-P366 VanDerWaalsContact O-N 3.1Å; I362-R369 HydrophobicContact CG2-CB 4.15Å; I362-R369 HydrophobicContact CG2-CG 4.28Å
363D92.7Very high93.5Very high133 Ų13360.8 Ų60.871%0.71134%0.342SS*.Hα-helixtrans-67.9-43.3178.3-72.2-19.4000112D359 E361D359-D363 VanDerWaalsContact O-CG 3.3Å; D359-D363 PolarHBondContact O-N 3.06Å; E361-D363 VanDerWaalsContact C-N 3.3Å; E361-D363 PolarHBondContact O-N 3.5Å
364S91.6Very high94.2Very high79 Ų7960 Ų6055%0.55233%0.329SS*.Hα-helixtrans-80.4-28179.8570000113.7S360 E361S360-S364 PolarHBondContact O-N 3.04Å; S360-S364 VanDerWaalsContact O-N 3.16Å; S360-S364 PolarHBondContact O-OG 2.9Å; E361-S364 PolarHBondContact O-N 3.49Å; E361-S364 PolarHBondContact O-OG 3.42Å
365N91.2Very high94.4Very high15 Ų1556.8 Ų56.88%0.0831%0.308CS..  trans-136.981.6178.3-176.15000110.2I41 E361 I362 R367 S368I41-N365 PolarHBondContact O-ND2 3.32Å; E361-N365 CarbonylContact O-C 3.45Å; E361-N365 VanDerWaalsContact O-CA 3.32Å; E361-N365 WeakPolarHBondContact O-CA 3.24Å; E361-N365 WeakPolarHBondContact O-CB 3.03Å; E361-N365 PolarHBondContact O-N 3.06Å; I362-N365 CarbonylContact O-C 3.3Å; I362-N365 VanDerWaalsContact O-C 3.3Å; N365-R367 PolarHBondContact O-N 3.16Å; N365-R367 PolarHBondContact OD1-N 3.28Å; N365-S368 VanDerWaalsContact O-CB 3.26Å; N365-S368 WeakPolarHBondContact O-CB 3.39Å; N365-S368 PolarHBondContact O-N 3.08Å; N365-S368 PolarHBondContact O-OG 2.94Å
366P89.2Confident94.4Very high73 Ų7354.9 Ų54.947%0.47430%0.299SS..G310 helixtrans-59.3-18-178.1-27.936000115.3I362 S368 R369I362-P366 WeakPolarHBondContact O-CA 3.2Å; I362-P366 VanDerWaalsContact O-N 3.1Å; P366-S368 PolarHBondContact O-N 3.19Å; P366-R369 WeakPolarHBondContact O-CB 3.46Å; P366-R369 PolarHBondContact O-N 2.85Å
367R88.1Confident94.4Very high98 Ų9854 Ų5437%0.3729%0.287SS..G310 helixtrans-70.3-20.7175.6-64.5-177175168.23.3112.5S146 D150 N365 R369S146-R367 WeakPolarHBondContact OG-CD 3.41Å; S146-R367 PolarHBondContact OG-NH1 3.08Å; D150-R367 IonicContact OD1-CZ 2.96Å; D150-R367 IonicContact OD1-NH1 3.78Å; D150-R367 IonicContact OD1-NH2 3.74Å; D150-R367 PolarHBondContact OD1-NH2 3.34Å; D150-R367 IonicContact OD2-CZ 3.9Å; D150-R367 IonicContact OD2-NH1 3.21Å; D150-R367 PolarHBondContact OD2-NH1 2.88Å; D150-R367 IonicContact OD2-NH2 3.56Å; D150-R367 PolarHBondContact OD2-NH2 2.9Å; N365-R367 PolarHBondContact O-N 3.16Å; N365-R367 PolarHBondContact OD1-N 3.28Å; R367-R369 VanDerWaalsContact C-N 3.26Å; R367-R369 PolarHBondContact O-N 3.2Å
368S91.8Very high94.3Very high0 Ų055.4 Ų55.40%029%0.291CS..G310 helixtrans-69.7-20.917673.30000112.9P357 N365 P366 S370 A371P357-S368 VanDerWaalsContact CG-O 3.31Å; P357-S368 WeakPolarHBondContact CG-O 3.4Å; N365-S368 VanDerWaalsContact O-CB 3.26Å; N365-S368 WeakPolarHBondContact O-CB 3.39Å; N365-S368 PolarHBondContact O-N 3.08Å; N365-S368 PolarHBondContact O-OG 2.94Å; P366-S368 PolarHBondContact O-N 3.19Å; S368-S370 VanDerWaalsContact C-N 3.26Å; S368-S370 PolarHBondContact O-N 2.92Å; S368-A371 WeakPolarHBondContact O-CA 3.37Å; S368-A371 WeakPolarHBondContact O-CB 3.37Å; S368-A371 PolarHBondContact O-N 2.99Å
369R92.7Very high93.8Very high172 Ų17255.5 Ų55.565%0.64930%0.303SS*.G310 helixtrans-46.4-40.2-167.4-173.9-177-63.6150.10.9116.1I362 P366 R367I362-R369 HydrophobicContact CG2-CB 4.15Å; I362-R369 HydrophobicContact CG2-CG 4.28Å; P366-R369 WeakPolarHBondContact O-CB 3.46Å; P366-R369 PolarHBondContact O-N 2.85Å; R367-R369 VanDerWaalsContact C-N 3.26Å; R367-R369 PolarHBondContact O-N 3.2Å
370S92.5Very high93.8Very high66 Ų6651.9 Ų51.946%0.46228%0.284SS..G310 helixtrans-970.7-178.463.30000114.1F290 S368F290-S370 WeakPolarHBondContact O-CB 3.27Å; F290-S370 PolarHBondContact O-OG 2.9Å; S368-S370 VanDerWaalsContact C-N 3.26Å; S368-S370 PolarHBondContact O-N 2.92Å
371A96.3Very high93.7Very high0 Ų049.9 Ų49.90%027%0.266CS..  trans-66.7140.7-177.900000111.2I43 S289 F290 P357 S368I43-A371 HydrophobicContact CG2-CB 3.69Å; S289-A371 CarbonylContact O-C 3.5Å; S289-A371 WeakPolarHBondContact O-CA 3.46Å; F290-A371 HydrophobicContact CD1-CB 4.14Å; F290-A371 HydrophobicContact CE1-CB 3.77Å; F290-A371 HydrophobicContact CZ-CB 4.32Å; P357-A371 VanDerWaalsContact CD-O 3.26Å; P357-A371 WeakPolarHBondContact CD-O 3.35Å; P357-A371 HydrophobicContact CG-CB 4.01Å; S368-A371 WeakPolarHBondContact O-CA 3.37Å; S368-A371 WeakPolarHBondContact O-CB 3.37Å; S368-A371 PolarHBondContact O-N 2.99Å
372K97.9Very high93.6Very high68 Ų6851.3 Ų51.330%0.29627%0.274SS..EExtended strand (participates in β ladder)trans-131.6119.4170-68.2175.5176.1175.50108.5L288 S289 D295 P354 I355 T356L288-K372 WeakPolarHBondContact CA-O 3.34Å; S289-K372 PolarHBondContact N-O 3.44Å; S289-K372 PolarHBondContact O-N 3.34Å; S289-K372 PolarHBondContact OG-O 2.99Å; D295-K372 HydrophobicContact CB-CD 4.15Å; D295-K372 WeakPolarHBondContact OD2-CD 3.37Å; D295-K372 IonicContact OD2-NZ 3.24Å; D295-K372 PolarHBondContact OD2-NZ 2.81Å; P354-K372 HydrophobicContact CB-CB 4.26Å; P354-K372 HydrophobicContact CB-CD 4.37Å; P354-K372 HydrophobicContact CB-CG 4.46Å; I355-K372 WeakPolarHBondContact O-CA 3.29Å; T356-K372 HydrophobicContact CG2-CG 4.26Å
373L98.2Very high93.6Very high0 Ų052.5 Ų52.50%028%0.281CS..EExtended strand (participates in β ladder)trans-93.7130175.5171.161.7000110.2M44 E47 I48 V286 V287 L288 P354 I355 I375M44-L373 HydrophobicContact CB-CD2 3.93Å; M44-L373 HydrophobicContact CE-CB 3.97Å; M44-L373 HydrophobicContact CE-CD2 4.07Å; M44-L373 HydrophobicContact SD-CB 3.57Å; M44-L373 VanDerWaalsContact SD-CB 3.57Å; M44-L373 HydrophobicContact SD-CD2 4.25Å; E47-L373 HydrophobicContact CB-CD2 3.74Å; I48-L373 HydrophobicContact CG1-CD1 4.11Å; I48-L373 HydrophobicContact CG1-CD2 3.93Å; V286-L373 HydrophobicContact CG1-CD1 3.7Å; V287-L373 WeakPolarHBondContact O-CA 3.37Å; L288-L373 HydrophobicContact CD2-CB 3.67Å; L288-L373 HydrophobicContact CD2-CD1 4.12Å; L288-L373 HydrophobicContact CD2-CG 4.4Å; L288-L373 HydrophobicContact CG-CD1 4.21Å; P354-L373 WeakPolarHBondContact CA-O 3.47Å; I355-L373 HydrophobicContact CD1-CB 4.42Å; I355-L373 HydrophobicContact CD1-CD2 3.8Å; I355-L373 HydrophobicContact CD1-CG 4.19Å; I355-L373 HydrophobicContact CG1-CB 3.88Å; I355-L373 HydrophobicContact CG1-CD2 4.2Å; I355-L373 HydrophobicContact CG1-CG 4.09Å; I355-L373 PolarHBondContact N-O 2.91Å; I355-L373 PolarHBondContact O-N 3.33Å; L373-I375 HydrophobicContact CD1-CD1 4.2Å; L373-I375 HydrophobicContact CD1-CG1 3.81Å; L373-I375 HydrophobicContact CD2-CD1 4.28Å; L373-I375 HydrophobicContact CG-CD1 4.37Å; L373-I375 HydrophobicContact CG-CG1 4.16Å
374R97.7Very high93.7Very high16 Ų1647.5 Ų47.56%0.0625%0.254CS..EExtended strand (participates in β ladder)trans-126.2137.5167.9-62.7-179.3175.9-78.3-7.3109.6V287 D295 V298 F302 P354V287-R374 PolarHBondContact N-O 3.33Å; V287-R374 PolarHBondContact O-N 2.69Å; D295-R374 IonicContact OD1-CZ 2.63Å; D295-R374 VanDerWaalsContact OD1-CZ 3.25Å; D295-R374 IonicContact OD1-NE 3.69Å; D295-R374 PolarHBondContact OD1-NE 3.3Å; D295-R374 IonicContact OD1-NH2 2.9Å; D295-R374 PolarHBondContact OD1-NH2 3.41Å; D295-R374 IonicContact OD2-NH2 2.76Å; V298-R374 HydrophobicContact CG1-CB 4.29Å; F302-R374 HydrophobicContact CD2-CB 4.46Å; F302-R374 HydrophobicContact CE2-CB 3.73Å; F302-R374 HydrophobicContact CZ-CB 4.5Å; P354-R374 HydrophobicContact CB-CG 4.42Å
375I97.9Very high93.8Very high0 Ų045.4 Ų45.40%023%0.234CC..EExtended strand (participates in β ladder)trans-129.8128.4176.2-52.4178.9000108.5Y51 T52 Y284 L285 V286 V351 I352 L373Y51-I375 HydrophobicContact CD2-CD1 4.15Å; Y51-I375 HydrophobicContact CG-CD1 4.26Å; T52-I375 HydrophobicContact CG2-CD1 4.46Å; T52-I375 HydrophobicContact CG2-CG2 4.35Å; Y284-I375 HydrophobicContact CD1-CG2 3.68Å; Y284-I375 HydrophobicContact CE1-CG2 4.35Å; L285-I375 WeakPolarHBondContact O-CA 3.15Å; V286-I375 HydrophobicContact CG1-CG1 4.43Å; V286-I375 HydrophobicContact CG2-CD1 4.26Å; V286-I375 HydrophobicContact CG2-CG1 4.11Å; V286-I375 HydrophobicContact CG2-CG2 4.15Å; V351-I375 HydrophobicContact CB-CB 4.47Å; V351-I375 HydrophobicContact CB-CG2 4.32Å; V351-I375 WeakPolarHBondContact CB-O 3.28Å; V351-I375 PolarHBondContact N-O 3.32Å; I352-I375 HydrophobicContact CG2-CB 3.83Å; I352-I375 HydrophobicContact CG2-CD1 4.01Å; I352-I375 HydrophobicContact CG2-CG1 3.96Å; I352-I375 PolarHBondContact N-O 3.35Å; I352-I375 PolarHBondContact O-N 2.88Å; L373-I375 HydrophobicContact CD1-CD1 4.2Å; L373-I375 HydrophobicContact CD1-CG1 3.81Å; L373-I375 HydrophobicContact CD2-CD1 4.28Å; L373-I375 HydrophobicContact CG-CD1 4.37Å; L373-I375 HydrophobicContact CG-CG1 4.16Å
376A96.3Very high94Very high0 Ų047.6 Ų47.60%025%0.245CC..EExtended strand (participates in β ladder)trans-127.9149.9173.300000110.8Y284 L285 F302 W348 N349Y284-A376 WeakPolarHBondContact CA-O 3.38Å; L285-A376 PolarHBondContact N-O 3.22Å; L285-A376 PolarHBondContact O-N 3.33Å; F302-A376 HydrophobicContact CD1-CB 4.16Å; F302-A376 HydrophobicContact CD2-CB 3.73Å; F302-A376 HydrophobicContact CE1-CB 3.97Å; F302-A376 HydrophobicContact CE2-CB 3.47Å; F302-A376 VanDerWaalsContact CE2-CB 3.47Å; F302-A376 HydrophobicContact CG-CB 4.07Å; F302-A376 HydrophobicContact CZ-CB 3.62Å; W348-A376 HydrophobicContact CB-CB 4.21Å; W348-A376 HydrophobicContact CD2-CB 4.4Å; W348-A376 HydrophobicContact CE3-CB 3.81Å; N349-A376 CarbonylContact O-C 3.56Å; N349-A376 WeakPolarHBondContact O-CA 3.27Å
377K96.2Very high94.3Very high72 Ų7245.6 Ų45.631%0.31323%0.228SC..EExtended strand (participates in β ladder)trans-94.2139.1168.3-82.1176.9178.9-176.80109.8G283 Y284 W348 N349 V351 G379G283-K377 CarbonylContact O-C 3.55Å; G283-K377 VanDerWaalsContact O-CA 3.26Å; G283-K377 WeakPolarHBondContact O-CA 3.42Å; Y284-K377 HydrophobicContact CD1-CG 3.78Å; Y284-K377 HydrophobicContact CE1-CD 4.14Å; Y284-K377 HydrophobicContact CE1-CG 3.71Å; Y284-K377 HydrophobicContact CE2-CG 4.5Å; Y284-K377 HydrophobicContact CG-CG 4.29Å; Y284-K377 WeakPolarHBondContact OH-CE 3.29Å; Y284-K377 PolarHBondContact OH-NZ 3.23Å; Y284-K377 VanDerWaalsContact OH-NZ 3.11Å; W348-K377 CarbonylContact C-O 3.53Å; W348-K377 WeakPolarHBondContact CA-O 3.41Å; N349-K377 HydrophobicContact CB-CB 4.26Å; N349-K377 PolarHBondContact N-O 3.44Å; N349-K377 PolarHBondContact O-N 3.01Å; V351-K377 HydrophobicContact CG2-CB 4.24Å; V351-K377 HydrophobicContact CG2-CD 4.07Å; V351-K377 HydrophobicContact CG2-CG 3.7Å; K377-G379 PolarHBondContact O-N 2.86Å
378R93.3Very high94.9Very high35 Ų3541.3 Ų41.313%0.13222%0.216CC..EExtended strand (participates in β ladder)trans-64.2122.3166.3-17466.5-174.171.513.4108.6E276 L279 K280 G282 G283 K347 W348E276-R378 PolarHBondContact O-NE 3.35Å; L279-R378 HydrophobicContact CB-CB 4.03Å; L279-R378 HydrophobicContact CB-CG 4.27Å; K280-R378 WeakPolarHBondContact O-CB 3.44Å; G282-R378 WeakPolarHBondContact CA-O 3.3Å; G282-R378 PolarHBondContact N-O 3.05Å; G283-R378 PolarHBondContact O-N 3.21Å; K347-R378 PolarHBondContact O-NH1 2.94Å; W348-R378 HydrophobicContact CZ3-CB 4.33Å
379G87.6Confident95.1Very high66 Ų6645 Ų4568%0.6824%0.236SC*.  trans-73.80179.600000114.5K347 K377K347-G379 PolarHBondContact O-N 3.25Å; K377-G379 PolarHBondContact O-N 2.86Å

Retrieved 379 of 379 residues in 138 ms (Link to these results)

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