A0A087Y1N1_POEFO Loading...

Small G protein signaling modulator 1

AlphaFold DB , UniProt , Accession A0A087Y1N1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,094 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
1M49.6Very low66.4Low189 Ų18988.6 Ų88.693%0.93150%0.498SS*.  0-66.90-80.3176.9167.100111.4T3 I4 M5M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 PolarHBondContact O-N 2.92Å; M1-T3 VanDerWaalsContact O-N 3.14Å; M1-I4 WeakPolarHBondContact O-CB 3.2Å; M1-I4 PolarHBondContact O-N 3.43Å; M1-M5 PolarHBondContact O-N 3.44Å
2A49Very low67.6Low80 Ų8086.7 Ų86.766%0.66148%0.482SS*.Hα-helixtrans-45.7-47.9-176.700000115.2M5 A6A2-M5 PolarHBondContact O-N 3.29Å; A2-A6 PolarHBondContact O-N 3.27Å
3T54.7Low69Low92 Ų9291 Ų9156%0.56449%0.493SS*.Hα-helixtrans-57.7-51.6176.7-23.90000112.3M1 M5 A6 E7M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 PolarHBondContact O-N 2.92Å; M1-T3 VanDerWaalsContact O-N 3.14Å; T3-M5 PolarHBondContact O-N 3.31Å; T3-A6 PolarHBondContact O-N 3.41Å; T3-A6 VanDerWaalsContact O-N 3.07Å; T3-E7 WeakPolarHBondContact O-CB 3.42Å; T3-E7 VanDerWaalsContact O-CG 3.28Å; T3-E7 WeakPolarHBondContact O-CG 3.3Å; T3-E7 PolarHBondContact O-N 2.74Å
4I59Low70.4Confident109 Ų10986.6 Ų86.656%0.55947%0.469SS*.Hα-helixtrans-59.7-35.7-179.5-56.8171.7000111.2M1 E7 A8M1-I4 WeakPolarHBondContact O-CB 3.2Å; M1-I4 PolarHBondContact O-N 3.43Å; I4-E7 VanDerWaalsContact CA-OE2 3.27Å; I4-E7 WeakPolarHBondContact CA-OE2 3.24Å; I4-E7 PolarHBondContact N-OE2 3.5Å; I4-A8 WeakPolarHBondContact O-CB 3.5Å; I4-A8 PolarHBondContact O-N 3.48Å
5M57.7Low71Confident135 Ų13580.9 Ų80.967%0.66544%0.438SS*.Hα-helixtrans-69.5-45.1175.9-66.6175.168.400111.6M1 A2 T3 E7 A8 E9M1-M5 PolarHBondContact O-N 3.44Å; A2-M5 PolarHBondContact O-N 3.29Å; T3-M5 PolarHBondContact O-N 3.31Å; M5-E7 VanDerWaalsContact C-N 3.33Å; M5-E7 PolarHBondContact O-N 3.07Å; M5-A8 PolarHBondContact O-N 2.84Å; M5-E9 WeakPolarHBondContact O-CB 3.35Å; M5-E9 PolarHBondContact O-N 2.92Å
6A67.7Low71.6Confident50 Ų5085.2 Ų85.241%0.41345%0.446SS..Hα-helixtrans-66-34.3175.600000112.8A2 T3 T10A2-A6 PolarHBondContact O-N 3.27Å; T3-A6 PolarHBondContact O-N 3.41Å; T3-A6 VanDerWaalsContact O-N 3.07Å; A6-T10 WeakPolarHBondContact O-CB 3.44Å; A6-T10 PolarHBondContact O-N 3.42Å; A6-T10 PolarHBondContact O-OG1 3.5Å
7E74.3Confident72.6Confident55 Ų5583.7 Ų83.726%0.25744%0.441SS..Hα-helixtrans-67.8-44.3175-72.6158.5156.200111T3 I4 M5 T10 R11T3-E7 WeakPolarHBondContact O-CB 3.42Å; T3-E7 VanDerWaalsContact O-CG 3.28Å; T3-E7 WeakPolarHBondContact O-CG 3.3Å; T3-E7 PolarHBondContact O-N 2.74Å; I4-E7 VanDerWaalsContact CA-OE2 3.27Å; I4-E7 WeakPolarHBondContact CA-OE2 3.24Å; I4-E7 PolarHBondContact N-OE2 3.5Å; M5-E7 VanDerWaalsContact C-N 3.33Å; M5-E7 PolarHBondContact O-N 3.07Å; E7-T10 PolarHBondContact O-N 3.17Å; E7-R11 WeakPolarHBondContact O-CG 3.43Å; E7-R11 PolarHBondContact O-N 3.18Å
8A72.8Confident73.4Confident37 Ų3779.1 Ų79.131%0.30642%0.417SS..Hα-helixtrans-65.5-42.2173.700000112.5I4 M5 T10 R11 Q12I4-A8 WeakPolarHBondContact O-CB 3.5Å; I4-A8 PolarHBondContact O-N 3.48Å; M5-A8 PolarHBondContact O-N 2.84Å; A8-T10 VanDerWaalsContact C-N 3.3Å; A8-T10 PolarHBondContact O-N 3.42Å; A8-R11 PolarHBondContact O-N 2.88Å; A8-Q12 WeakPolarHBondContact O-CB 3.44Å; A8-Q12 WeakPolarHBondContact O-CG 3.47Å; A8-Q12 PolarHBondContact O-N 3.44Å
9E78.4Confident73.7Confident130 Ų13079.7 Ų79.761%0.60742%0.416SS*.Hα-helixtrans-61.4-39.4174.4-174.9177-169.300111.5M5 Q12 K13M5-E9 WeakPolarHBondContact O-CB 3.35Å; M5-E9 PolarHBondContact O-N 2.92Å; E9-Q12 PolarHBondContact O-N 3.34Å; E9-K13 VanDerWaalsContact O-CB 3.32Å; E9-K13 WeakPolarHBondContact O-CB 2.85Å; E9-K13 PolarHBondContact O-N 2.93Å
10T84.5Confident74.2Confident63 Ų6380.8 Ų80.839%0.38742%0.417SS..Hα-helixtrans-64.4-44.8176-59.90000111.6A6 E7 A8 K13 L14A6-T10 WeakPolarHBondContact O-CB 3.44Å; A6-T10 PolarHBondContact O-N 3.42Å; A6-T10 PolarHBondContact O-OG1 3.5Å; E7-T10 PolarHBondContact O-N 3.17Å; A8-T10 VanDerWaalsContact C-N 3.3Å; A8-T10 PolarHBondContact O-N 3.42Å; T10-K13 PolarHBondContact O-N 3.07Å; T10-L14 HydrophobicContact CG2-CD1 4.39Å; T10-L14 WeakPolarHBondContact O-CG 3.35Å; T10-L14 PolarHBondContact O-N 3.23Å
11R83.3Confident74.9Confident35 Ų3577.7 Ų77.713%0.13240%0.401CS..Hα-helixtrans-60.1-46.3173.9-68.6-160.8-63.9-89.118111.8E7 A8 K13 L14 L15 I160 D163E7-R11 WeakPolarHBondContact O-CG 3.43Å; E7-R11 PolarHBondContact O-N 3.18Å; A8-R11 PolarHBondContact O-N 2.88Å; R11-K13 PolarHBondContact O-N 3.35Å; R11-L14 PolarHBondContact O-N 2.86Å; R11-L15 WeakPolarHBondContact O-CB 3.36Å; R11-L15 PolarHBondContact O-N 3.17Å; R11-I160 HydrophobicContact CB-CG1 4.47Å; R11-I160 HydrophobicContact CG-CB 4.3Å; R11-D163 IonicContact CZ-OD2 3.45Å; R11-D163 IonicContact NE-OD2 3.41Å; R11-D163 PolarHBondContact NE-OD2 3.46Å; R11-D163 VanDerWaalsContact NE-OD2 3.08Å; R11-D163 IonicContact NH2-OD2 2.72Å; R11-D163 PolarHBondContact NH2-OD2 3.22Å
12Q79.9Confident76.6Confident65 Ų6569.2 Ų69.230%0.30436%0.36SS..Hα-helixtrans-65.4-36.7178.2-72.7-62.3-49.200112.8A8 E9 L15 R16 D166A8-Q12 WeakPolarHBondContact O-CB 3.44Å; A8-Q12 WeakPolarHBondContact O-CG 3.47Å; A8-Q12 PolarHBondContact O-N 3.44Å; E9-Q12 PolarHBondContact O-N 3.34Å; Q12-L15 PolarHBondContact O-N 2.97Å; Q12-R16 WeakPolarHBondContact O-CB 3.45Å; Q12-R16 WeakPolarHBondContact O-CG 3.43Å; Q12-R16 PolarHBondContact O-N 3.45Å; Q12-D166 PolarHBondContact NE2-OD1 3.33Å; Q12-D166 PolarHBondContact NE2-OD2 3.06Å
13K86.4Confident78Confident143 Ų14370.3 Ų70.362%0.62235%0.349SS*.Hα-helixtrans-62.3-48173.9-175.4173.7-178.6173.60111.4E9 T10 R11 L15 R16 T17E9-K13 VanDerWaalsContact O-CB 3.32Å; E9-K13 WeakPolarHBondContact O-CB 2.85Å; E9-K13 PolarHBondContact O-N 2.93Å; T10-K13 PolarHBondContact O-N 3.07Å; R11-K13 PolarHBondContact O-N 3.35Å; K13-L15 PolarHBondContact O-N 2.74Å; K13-R16 PolarHBondContact O-N 2.84Å; K13-T17 PolarHBondContact O-N 3.29Å; K13-T17 PolarHBondContact O-OG1 3.49Å; K13-T17 VanDerWaalsContact O-OG1 3.11Å
14L88.1Confident79.1Confident30 Ų3068.7 Ų68.716%0.15734%0.335CS..Hα-helixtrans-58.3-47175.5-73.7169.5000111.8T10 R11 R16 T17 V18 A51 H55 I160T10-L14 HydrophobicContact CG2-CD1 4.39Å; T10-L14 WeakPolarHBondContact O-CG 3.35Å; T10-L14 PolarHBondContact O-N 3.23Å; R11-L14 PolarHBondContact O-N 2.86Å; L14-R16 PolarHBondContact O-N 2.64Å; L14-T17 WeakPolarHBondContact O-CB 3.32Å; L14-T17 PolarHBondContact O-N 2.97Å; L14-V18 PolarHBondContact O-N 3.1Å; L14-A51 HydrophobicContact CD2-CB 3.91Å; L14-H55 HydrophobicContact CD1-CB 3.99Å; L14-I160 HydrophobicContact CB-CD1 4.29Å
15L80.4Confident80.2Confident1 Ų163.5 Ų63.51%0.00531%0.309CS..Hα-helixtrans-66.2-37.8179.7-169.463.4000112.7R11 Q12 K13 V18 K19 I160 D166 I169 L170 L173R11-L15 WeakPolarHBondContact O-CB 3.36Å; R11-L15 PolarHBondContact O-N 3.17Å; Q12-L15 PolarHBondContact O-N 2.97Å; K13-L15 PolarHBondContact O-N 2.74Å; L15-V18 PolarHBondContact O-N 2.83Å; L15-K19 HydrophobicContact CG-CD 4.48Å; L15-K19 WeakPolarHBondContact O-CB 3.37Å; L15-K19 VanDerWaalsContact O-CG 3.31Å; L15-K19 WeakPolarHBondContact O-CG 3.23Å; L15-K19 PolarHBondContact O-N 2.93Å; L15-I160 HydrophobicContact CB-CD1 4.21Å; L15-D166 HydrophobicContact CD2-CB 4.33Å; L15-D166 WeakPolarHBondContact CD2-OD1 3.25Å; L15-I169 HydrophobicContact CD1-CG2 4.19Å; L15-I169 HydrophobicContact CD2-CG2 4.16Å; L15-L170 HydrophobicContact CD1-CB 4.21Å; L15-L173 HydrophobicContact CD1-CD1 3.82Å
16R80.6Confident81.2Confident149 Ų14957.8 Ų57.856%0.56228%0.28SS*.Hα-helixtrans-62-41.4172.1-72.9170.7-149.1160.65.1111.5Q12 K13 L14 K19 K20Q12-R16 WeakPolarHBondContact O-CB 3.45Å; Q12-R16 WeakPolarHBondContact O-CG 3.43Å; Q12-R16 PolarHBondContact O-N 3.45Å; K13-R16 PolarHBondContact O-N 2.84Å; L14-R16 PolarHBondContact O-N 2.64Å; R16-K19 PolarHBondContact O-N 3.14Å; R16-K20 PolarHBondContact O-N 2.91Å
17T87.4Confident81.3Confident60 Ų6058.7 Ų58.737%0.36828%0.276SS..Hα-helixtrans-61-51175.4-56.10000110.8K13 L14 K19 K20 E21 A48K13-T17 PolarHBondContact O-N 3.29Å; K13-T17 PolarHBondContact O-OG1 3.49Å; K13-T17 VanDerWaalsContact O-OG1 3.11Å; L14-T17 WeakPolarHBondContact O-CB 3.32Å; L14-T17 PolarHBondContact O-N 2.97Å; T17-K19 VanDerWaalsContact C-N 3.34Å; T17-K19 PolarHBondContact O-N 2.83Å; T17-K20 WeakPolarHBondContact O-CB 3.36Å; T17-K20 PolarHBondContact O-N 3.25Å; T17-K20 VanDerWaalsContact O-N 3.12Å; T17-E21 HydrophobicContact CG2-CG 4.38Å; T17-E21 WeakPolarHBondContact O-CG 3.12Å; T17-E21 PolarHBondContact O-N 3.14Å; T17-A48 HydrophobicContact CG2-CB 3.81Å
18V86.9Confident81.3Confident0 Ų056.8 Ų56.80%027%0.267CS..Hα-helixtrans-59.5-43.3177.61770000111.5L14 L15 K20 E21 V22 A48 C52 L170L14-V18 PolarHBondContact O-N 3.1Å; L15-V18 PolarHBondContact O-N 2.83Å; V18-K20 VanDerWaalsContact C-N 3.31Å; V18-K20 PolarHBondContact O-N 2.92Å; V18-E21 PolarHBondContact O-N 3.46Å; V18-V22 HydrophobicContact CG1-CG2 3.97Å; V18-V22 WeakPolarHBondContact O-CB 3.38Å; V18-V22 WeakPolarHBondContact O-CG2 3.33Å; V18-V22 PolarHBondContact O-N 3.46Å; V18-A48 HydrophobicContact CG2-CB 3.92Å; V18-C52 VanDerWaalsContact CG2-SG 3.55Å; V18-L170 HydrophobicContact CB-CD1 4.27Å; V18-L170 HydrophobicContact CG1-CD1 3.88Å; V18-L170 HydrophobicContact CG2-CD1 4.04Å
19K79.8Confident81Confident92 Ų9255.7 Ų55.740%0.426%0.258SS..Hα-helixtrans-56.9-41175.3-75.4173.8177.3178.70112.9L15 R16 T17 K23 L173L15-K19 HydrophobicContact CG-CD 4.48Å; L15-K19 WeakPolarHBondContact O-CB 3.37Å; L15-K19 VanDerWaalsContact O-CG 3.31Å; L15-K19 WeakPolarHBondContact O-CG 3.23Å; L15-K19 PolarHBondContact O-N 2.93Å; R16-K19 PolarHBondContact O-N 3.14Å; T17-K19 VanDerWaalsContact C-N 3.34Å; T17-K19 PolarHBondContact O-N 2.83Å; K19-K23 WeakPolarHBondContact O-CB 3.37Å; K19-K23 PolarHBondContact O-N 2.62Å; K19-L173 HydrophobicContact CD-CD1 4.45Å; K19-L173 HydrophobicContact CG-CD1 3.58Å; K19-L173 HydrophobicContact CG-CD2 4.13Å
20K84.3Confident79.9Confident101 Ų10152.1 Ų52.144%0.43925%0.245SC..Hα-helixtrans-64.8-50.2175.7177.2-171165.6-68.60111.8R16 T17 V18 V22 K23 Q24R16-K20 PolarHBondContact O-N 2.91Å; T17-K20 WeakPolarHBondContact O-CB 3.36Å; T17-K20 PolarHBondContact O-N 3.25Å; T17-K20 VanDerWaalsContact O-N 3.12Å; V18-K20 VanDerWaalsContact C-N 3.31Å; V18-K20 PolarHBondContact O-N 2.92Å; K20-V22 VanDerWaalsContact C-N 3.34Å; K20-V22 PolarHBondContact O-N 3.09Å; K20-K23 WeakPolarHBondContact O-CB 3.35Å; K20-K23 PolarHBondContact O-N 3.02Å; K20-Q24 VanDerWaalsContact NZ-OE1 3.15Å; K20-Q24 PolarHBondContact O-N 2.94Å
21E88.4Confident78.3Confident16 Ų1654.1 Ų54.18%0.07526%0.257CS..Hα-helixtrans-69.6-32.7-176.6-52.7-51.2118.900111.8T17 V18 Q24 I25 S44 F45 A48T17-E21 HydrophobicContact CG2-CG 4.38Å; T17-E21 WeakPolarHBondContact O-CG 3.12Å; T17-E21 PolarHBondContact O-N 3.14Å; V18-E21 PolarHBondContact O-N 3.46Å; E21-Q24 PolarHBondContact O-N 3.45Å; E21-I25 PolarHBondContact O-N 2.95Å; E21-S44 WeakPolarHBondContact OE2-CB 3.42Å; E21-F45 HydrophobicContact CB-CB 3.91Å; E21-F45 HydrophobicContact CB-CD2 4.23Å; E21-A48 HydrophobicContact CG-CB 4.18Å
22V84.1Confident77Confident11 Ų1159.3 Ų59.37%0.06728%0.277CS..Hα-helixtrans-61.4-48.3169.1170.70000110.7V18 K20 Q24 I25 M26 F45 L173 P177V18-V22 HydrophobicContact CG1-CG2 3.97Å; V18-V22 WeakPolarHBondContact O-CB 3.38Å; V18-V22 WeakPolarHBondContact O-CG2 3.33Å; V18-V22 PolarHBondContact O-N 3.46Å; K20-V22 VanDerWaalsContact C-N 3.34Å; K20-V22 PolarHBondContact O-N 3.09Å; V22-Q24 VanDerWaalsContact C-N 3.32Å; V22-Q24 PolarHBondContact O-N 3.47Å; V22-I25 PolarHBondContact O-N 3.34Å; V22-M26 HydrophobicContact CG1-CG 4.3Å; V22-M26 WeakPolarHBondContact O-CG 3.32Å; V22-M26 PolarHBondContact O-N 2.96Å; V22-F45 HydrophobicContact CG2-CD2 4.07Å; V22-F45 HydrophobicContact CG2-CE2 3.58Å; V22-L173 HydrophobicContact CG2-CB 4.47Å; V22-P177 HydrophobicContact CG1-CG 4.24Å; V22-P177 HydrophobicContact CG2-CG 4.15Å
23K78.6Confident75.6Confident102 Ų10264.6 Ų64.644%0.44330%0.299SS..Hα-helixtrans-52.8-51.8176.2-175.9-171.9162.3179.50110.2K19 K20 I25 M26 E27 W499K19-K23 WeakPolarHBondContact O-CB 3.37Å; K19-K23 PolarHBondContact O-N 2.62Å; K20-K23 WeakPolarHBondContact O-CB 3.35Å; K20-K23 PolarHBondContact O-N 3.02Å; K23-I25 PolarHBondContact O-N 2.7Å; K23-M26 PolarHBondContact O-N 2.99Å; K23-E27 WeakPolarHBondContact CE-OE1 3.4Å; K23-E27 VanDerWaalsContact CE-OE2 3.22Å; K23-E27 WeakPolarHBondContact CE-OE2 3.26Å; K23-E27 HydrophobicContact CG-CG 4.45Å; K23-E27 IonicContact NZ-OE1 3.28Å; K23-E27 PolarHBondContact NZ-OE1 3.44Å; K23-E27 WeakPolarHBondContact O-CB 3.45Å; K23-E27 WeakPolarHBondContact O-CG 3.29Å; K23-E27 PolarHBondContact O-N 2.89Å; K23-W499 HydrophobicContact CG-CH2 4.4Å
24Q79.2Confident74.5Confident58 Ų5861.3 Ų61.327%0.27129%0.285SS..Hα-helixtrans-62.6-41.1-177.9-70-172.1-28.100114K20 E21 V22 E27 E28 H41K20-Q24 VanDerWaalsContact NZ-OE1 3.15Å; K20-Q24 PolarHBondContact O-N 2.94Å; E21-Q24 PolarHBondContact O-N 3.45Å; V22-Q24 VanDerWaalsContact C-N 3.32Å; V22-Q24 PolarHBondContact O-N 3.47Å; Q24-E27 PolarHBondContact O-N 3.34Å; Q24-E28 WeakPolarHBondContact O-CB 3.4Å; Q24-E28 PolarHBondContact O-N 2.96Å; Q24-H41 PolarHBondContact OE1-ND1 3.15Å; Q24-H41 VanDerWaalsContact OE1-ND1 3.16Å
25I81.1Confident73.8Confident0 Ų059.9 Ų59.90%028%0.278CS..Hα-helixtrans-67.5-40176.9-73-178.5000111.7E21 V22 K23 E27 E28 A29 H41 I42 F45 L180E21-I25 PolarHBondContact O-N 2.95Å; V22-I25 PolarHBondContact O-N 3.34Å; K23-I25 PolarHBondContact O-N 2.7Å; I25-E27 VanDerWaalsContact C-N 3.33Å; I25-E28 PolarHBondContact O-N 2.9Å; I25-A29 WeakPolarHBondContact O-CB 3.47Å; I25-A29 PolarHBondContact O-N 3.09Å; I25-H41 HydrophobicContact CG1-CB 3.78Å; I25-I42 HydrophobicContact CD1-CG1 4.18Å; I25-F45 HydrophobicContact CD1-CB 3.36Å; I25-F45 HydrophobicContact CD1-CD1 3.76Å; I25-F45 HydrophobicContact CD1-CD2 4.31Å; I25-F45 HydrophobicContact CD1-CG 3.56Å; I25-F45 HydrophobicContact CG1-CB 4.46Å; I25-L180 HydrophobicContact CG2-CD1 3.55Å
26M78.6Confident73.8Confident15 Ų1561.3 Ų61.37%0.07428%0.284CS..Hα-helixtrans-68.4-34.9177.4-63-54.4-5100111.5V22 K23 A29 V30 P177 L180 F496V22-M26 HydrophobicContact CG1-CG 4.3Å; V22-M26 WeakPolarHBondContact O-CG 3.32Å; V22-M26 PolarHBondContact O-N 2.96Å; K23-M26 PolarHBondContact O-N 2.99Å; M26-A29 PolarHBondContact O-N 3.46Å; M26-V30 VanDerWaalsContact O-CG2 3.3Å; M26-V30 WeakPolarHBondContact O-CG2 3.21Å; M26-V30 PolarHBondContact O-N 2.89Å; M26-P177 HydrophobicContact SD-CG 4.49Å; M26-L180 HydrophobicContact CE-CD2 3.99Å; M26-L180 HydrophobicContact SD-CD1 3.97Å; M26-L180 HydrophobicContact SD-CD2 4.36Å; M26-L180 HydrophobicContact SD-CG 4.27Å; M26-F496 HydrophobicContact CE-CZ 4.16Å; M26-F496 HydrophobicContact CG-CZ 4.23Å
27E70.6Confident73.8Confident69 Ų6955.5 Ų55.532%0.32226%0.263SS..Hα-helixtrans-67.4-42.3172.7-73.1173.5145.700112.2K23 Q24 I25 A29 V30 T31K23-E27 WeakPolarHBondContact CE-OE1 3.4Å; K23-E27 VanDerWaalsContact CE-OE2 3.22Å; K23-E27 WeakPolarHBondContact CE-OE2 3.26Å; K23-E27 HydrophobicContact CG-CG 4.45Å; K23-E27 IonicContact NZ-OE1 3.28Å; K23-E27 PolarHBondContact NZ-OE1 3.44Å; K23-E27 WeakPolarHBondContact O-CB 3.45Å; K23-E27 WeakPolarHBondContact O-CG 3.29Å; K23-E27 PolarHBondContact O-N 2.89Å; Q24-E27 PolarHBondContact O-N 3.34Å; I25-E27 VanDerWaalsContact C-N 3.33Å; E27-A29 VanDerWaalsContact C-N 3.35Å; E27-A29 PolarHBondContact O-N 2.92Å; E27-V30 PolarHBondContact O-N 3.03Å; E27-T31 WeakPolarHBondContact O-CB 3.45Å; E27-T31 WeakPolarHBondContact O-CG2 3.32Å; E27-T31 PolarHBondContact O-N 3.34Å; E27-T31 PolarHBondContact O-OG1 3.42Å
28E73.1Confident73.4Confident15 Ų1556.7 Ų56.77%0.0727%0.267CS..Hα-helixtrans-59.6-45.5173.1-171.6173.6-165.100111Q24 I25 V30 T31 R32 V35 S39 H41Q24-E28 WeakPolarHBondContact O-CB 3.4Å; Q24-E28 PolarHBondContact O-N 2.96Å; I25-E28 PolarHBondContact O-N 2.9Å; E28-V30 PolarHBondContact O-N 2.98Å; E28-T31 PolarHBondContact O-N 3.02Å; E28-T31 PolarHBondContact O-OG1 2.68Å; E28-R32 HydrophobicContact CG-CG 4.5Å; E28-R32 WeakPolarHBondContact O-CB 3.48Å; E28-R32 PolarHBondContact O-N 3.24Å; E28-R32 IonicContact OE1-CZ 3.83Å; E28-R32 IonicContact OE1-NH1 2.8Å; E28-R32 PolarHBondContact OE1-NH1 3.45Å; E28-V35 HydrophobicContact CG-CG1 4.31Å; E28-S39 PolarHBondContact OE1-OG 2.84Å; E28-S39 WeakPolarHBondContact OE2-CB 3.21Å; E28-S39 PolarHBondContact OE2-OG 3.38Å; E28-H41 IonicContact OE2-CD2 3.7Å; E28-H41 PolarHBondContact OE2-CD2 2.73Å
29A66.8Low73.1Confident14 Ų1457.2 Ų57.212%0.11627%0.271CS..Hα-helixtrans-61.9-42.5178.500000113.3I25 M26 E27 K33 V35 L180I25-A29 WeakPolarHBondContact O-CB 3.47Å; I25-A29 PolarHBondContact O-N 3.09Å; M26-A29 PolarHBondContact O-N 3.46Å; E27-A29 VanDerWaalsContact C-N 3.35Å; E27-A29 PolarHBondContact O-N 2.92Å; A29-K33 WeakPolarHBondContact O-CA 3.24Å; A29-K33 PolarHBondContact O-N 2.98Å; A29-V35 HydrophobicContact CB-CG2 3.57Å; A29-L180 HydrophobicContact CB-CD1 3.86Å; A29-L180 HydrophobicContact CB-CD2 3.71Å; A29-L180 HydrophobicContact CB-CG 4.45Å
30V56.5Low73.2Confident56 Ų5656.6 Ų56.634%0.33928%0.278SS..Hα-helixtrans-69.8-43.4178.8169.80000111.6M26 E27 E28 L500 R504M26-V30 VanDerWaalsContact O-CG2 3.3Å; M26-V30 WeakPolarHBondContact O-CG2 3.21Å; M26-V30 PolarHBondContact O-N 2.89Å; E27-V30 PolarHBondContact O-N 3.03Å; E28-V30 PolarHBondContact O-N 2.98Å; V30-L500 HydrophobicContact CG2-CD1 3.74Å; V30-R504 HydrophobicContact CG1-CG 3.86Å
31T50.9Low73.2Confident104 Ų10454.4 Ų54.464%0.63827%0.269SS*.Hα-helixtrans-74.8-32.7-175.951.60000113.3E27 E28E27-T31 WeakPolarHBondContact O-CB 3.45Å; E27-T31 WeakPolarHBondContact O-CG2 3.32Å; E27-T31 PolarHBondContact O-N 3.34Å; E27-T31 PolarHBondContact O-OG1 3.42Å; E28-T31 PolarHBondContact O-N 3.02Å; E28-T31 PolarHBondContact O-OG1 2.68Å
32R55.3Low73.2Confident145 Ų14553.6 Ų53.655%0.54727%0.266SS..Hα-helixtrans-103.5-2.9-175.2-62.7-175.3171.1165-7.1114.8E28 F34E28-R32 HydrophobicContact CG-CG 4.5Å; E28-R32 WeakPolarHBondContact O-CB 3.48Å; E28-R32 PolarHBondContact O-N 3.24Å; E28-R32 IonicContact OE1-CZ 3.83Å; E28-R32 IonicContact OE1-NH1 2.8Å; E28-R32 PolarHBondContact OE1-NH1 3.45Å; R32-F34 WeakPolarHBondContact CB-O 3.4Å; R32-F34 WeakPolarHBondContact O-CD1 3.49Å; R32-F34 PolarHBondContact O-N 3.25Å
33K50.9Low73.3Confident176 Ų17656 Ų5677%0.76528%0.28SS*.SBendtrans61.8-16.8-169.1-51.9173-173.1165.30115.1A29 D194A29-K33 WeakPolarHBondContact O-CA 3.24Å; A29-K33 PolarHBondContact O-N 2.98Å; K33-D194 IonicContact NZ-OD2 3.2Å
34F62.2Low73.7Confident73 Ų7353.6 Ų53.632%0.3228%0.276SS..SBendtrans-143.6163.5175.570.2-87.3000110.9R32 H36 T183 H190R32-F34 WeakPolarHBondContact CB-O 3.4Å; R32-F34 WeakPolarHBondContact O-CD1 3.49Å; R32-F34 PolarHBondContact O-N 3.25Å; F34-H36 HydrophobicContact CE2-CB 4.29Å; F34-T183 HydrophobicContact CB-CG2 4.28Å; F34-T183 HydrophobicContact CD2-CG2 4.38Å; F34-T183 VanDerWaalsContact CD2-OG1 3.27Å; F34-T183 WeakPolarHBondContact CD2-OG1 3.12Å; F34-H190 AromaticContact CZ-NE2 3.77Å
35V73.8Confident74.4Confident1 Ų150.9 Ų50.91%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-120.2120.3170.2-167.60000109.9E28 A29 I42 L180 Y182 T183E28-V35 HydrophobicContact CG-CG1 4.31Å; A29-V35 HydrophobicContact CB-CG2 3.57Å; V35-I42 HydrophobicContact CG1-CD1 3.76Å; V35-I42 HydrophobicContact CG1-CG1 4.18Å; V35-L180 HydrophobicContact CG2-CD1 4.29Å; V35-Y182 HydrophobicContact CB-CD1 3.87Å; V35-Y182 HydrophobicContact CB-CE1 3.94Å; V35-Y182 HydrophobicContact CG1-CD1 4.19Å; V35-Y182 HydrophobicContact CG1-CE1 4.08Å; V35-Y182 WeakPolarHBondContact O-CA 3.31Å; V35-T183 PolarHBondContact O-N 2.95Å; V35-T183 VanDerWaalsContact O-N 3.08Å
36H81.2Confident74.9Confident31 Ų3151 Ų5114%0.14426%0.264CS..EExtended strand (participates in β ladder)trans-70.9134.6177.3-176.3-88.4000110.7F34 D38 S39 I42 T183 M185F34-H36 HydrophobicContact CE2-CB 4.29Å; H36-D38 VanDerWaalsContact C-N 3.25Å; H36-D38 IonicContact CE1-OD2 2.7Å; H36-D38 PolarHBondContact ND1-N 3.39Å; H36-D38 VanDerWaalsContact ND1-N 3.11Å; H36-D38 PolarHBondContact O-N 2.93Å; H36-D38 VanDerWaalsContact O-N 3.12Å; H36-S39 VanDerWaalsContact O-CB 3.28Å; H36-S39 WeakPolarHBondContact O-CB 3.47Å; H36-S39 PolarHBondContact O-N 2.94Å; H36-I42 VanDerWaalsContact O-CD1 3.32Å; H36-I42 WeakPolarHBondContact O-CD1 3.37Å; H36-T183 PolarHBondContact CD2-O 3.4Å; H36-T183 VanDerWaalsContact CD2-O 3.27Å; H36-M185 PolarHBondContact CD2-O 3.14Å
37E80.9Confident75.4Confident27 Ų2752.3 Ų52.313%0.12628%0.278CS..THydrogen-bonded Turntrans-53.7-38.8-174.1-79.1-163.7-175.900113.4S39 I42 R132 F136 T183 K184E37-S39 PolarHBondContact O-N 3.02Å; E37-I42 WeakPolarHBondContact O-CD1 3.32Å; E37-R132 PolarHBondContact O-NH1 2.85Å; E37-R132 PolarHBondContact O-NH2 3.5Å; E37-R132 VanDerWaalsContact O-NH2 3.14Å; E37-R132 IonicContact OE2-NH2 2.7Å; E37-F136 HydrophobicContact CB-CE2 3.99Å; E37-F136 HydrophobicContact CB-CZ 3.82Å; E37-F136 HydrophobicContact CG-CD2 4.2Å; E37-F136 HydrophobicContact CG-CE1 4.27Å; E37-F136 HydrophobicContact CG-CE2 3.52Å; E37-F136 HydrophobicContact CG-CZ 3.57Å; E37-F136 WeakPolarHBondContact OE2-CE2 3.18Å; E37-T183 PolarHBondContact N-O 3.5Å; E37-K184 VanDerWaalsContact CD-CG 3.46Å; E37-K184 HydrophobicContact CG-CG 4.12Å; E37-K184 WeakPolarHBondContact OE1-CE 3.33Å; E37-K184 WeakPolarHBondContact OE1-CG 3.35Å; E37-K184 IonicContact OE1-NZ 2.7Å; E37-K184 WeakPolarHBondContact OE2-CE 3.43Å
38D77.4Confident76.4Confident84 Ų8449.4 Ų49.445%0.44927%0.266SS..THydrogen-bonded Turntrans-8012178.8-65.6-18.5000114.8H36 S40 R132 K186H36-D38 VanDerWaalsContact C-N 3.25Å; H36-D38 IonicContact CE1-OD2 2.7Å; H36-D38 PolarHBondContact ND1-N 3.39Å; H36-D38 VanDerWaalsContact ND1-N 3.11Å; H36-D38 PolarHBondContact O-N 2.93Å; H36-D38 VanDerWaalsContact O-N 3.12Å; D38-S40 PolarHBondContact O-N 3.07Å; D38-R132 IonicContact OD1-CZ 3.06Å; D38-R132 IonicContact OD1-NH2 3.7Å; D38-R132 PolarHBondContact OD1-NH2 3.04Å; D38-K186 WeakPolarHBondContact OD2-CE 3.48Å; D38-K186 IonicContact OD2-NZ 3.98Å; D38-K186 PolarHBondContact OD2-NZ 3.08Å
39S81.2Confident77.3Confident12 Ų1248.7 Ų48.78%0.08426%0.262CS..  trans-54.8135174.2171.10000111.3E28 H36 E37 H41 I42 V43E28-S39 PolarHBondContact OE1-OG 2.84Å; E28-S39 WeakPolarHBondContact OE2-CB 3.21Å; E28-S39 PolarHBondContact OE2-OG 3.38Å; H36-S39 VanDerWaalsContact O-CB 3.28Å; H36-S39 WeakPolarHBondContact O-CB 3.47Å; H36-S39 PolarHBondContact O-N 2.94Å; E37-S39 PolarHBondContact O-N 3.02Å; S39-H41 PolarHBondContact O-N 3.09Å; S39-H41 PolarHBondContact OG-N 2.79Å; S39-I42 WeakPolarHBondContact O-CB 3.35Å; S39-I42 PolarHBondContact O-N 3.18Å; S39-I42 VanDerWaalsContact O-N 3.1Å; S39-V43 PolarHBondContact O-N 3.23Å
40S82.4Confident78.5Confident78 Ų7850 Ų5055%0.54527%0.266SS..Hα-helixtrans-62.2-25.9176.774.80000112.4D38 V43 S44D38-S40 PolarHBondContact O-N 3.07Å; S40-V43 PolarHBondContact O-N 3.06Å; S40-S44 WeakPolarHBondContact O-CB 3.44Å; S40-S44 PolarHBondContact O-N 3.24Å; S40-S44 PolarHBondContact O-OG 2.86Å
41H84.1Confident80.2Confident55 Ų5549.3 Ų49.326%0.25527%0.266SS..Hα-helixtrans-69.2-40.6174.6-57.9-70000111.1Q24 I25 E28 S39 V43 S44 F45Q24-H41 PolarHBondContact OE1-ND1 3.15Å; Q24-H41 VanDerWaalsContact OE1-ND1 3.16Å; I25-H41 HydrophobicContact CG1-CB 3.78Å; E28-H41 IonicContact OE2-CD2 3.7Å; E28-H41 PolarHBondContact OE2-CD2 2.73Å; S39-H41 PolarHBondContact O-N 3.09Å; S39-H41 PolarHBondContact OG-N 2.79Å; H41-V43 VanDerWaalsContact C-N 3.35Å; H41-V43 PolarHBondContact O-N 3.19Å; H41-S44 PolarHBondContact O-N 3.29Å; H41-F45 WeakPolarHBondContact O-CB 3.48Å; H41-F45 PolarHBondContact O-N 2.82Å
42I87.9Confident82.1Confident0 Ų044.4 Ų44.40%024%0.236CC..Hα-helixtrans-60.7-43.9173.7-65.1171000111I25 V35 H36 E37 S39 S44 C46 L135 F136 Y182I25-I42 HydrophobicContact CD1-CG1 4.18Å; V35-I42 HydrophobicContact CG1-CD1 3.76Å; V35-I42 HydrophobicContact CG1-CG1 4.18Å; H36-I42 VanDerWaalsContact O-CD1 3.32Å; H36-I42 WeakPolarHBondContact O-CD1 3.37Å; E37-I42 WeakPolarHBondContact O-CD1 3.32Å; S39-I42 WeakPolarHBondContact O-CB 3.35Å; S39-I42 PolarHBondContact O-N 3.18Å; S39-I42 VanDerWaalsContact O-N 3.1Å; I42-S44 VanDerWaalsContact C-N 3.33Å; I42-S44 PolarHBondContact O-N 3.07Å; I42-C46 WeakPolarHBondContact O-CB 3.45Å; I42-C46 PolarHBondContact O-N 2.88Å; I42-C46 PolarHBondContact O-SG 3.11Å; I42-L135 HydrophobicContact CG2-CD2 4.25Å; I42-F136 HydrophobicContact CD1-CE1 4.28Å; I42-F136 HydrophobicContact CD1-CZ 4.46Å; I42-F136 HydrophobicContact CG2-CE1 4.11Å; I42-F136 HydrophobicContact CG2-CZ 4.1Å; I42-Y182 HydrophobicContact CD1-CD1 3.48Å; I42-Y182 VanDerWaalsContact CD1-CD1 3.48Å; I42-Y182 HydrophobicContact CD1-CE1 3.53Å; I42-Y182 HydrophobicContact CG1-CD1 4.4Å; I42-Y182 HydrophobicContact CG1-CE1 3.96Å
43V87.2Confident83.8Confident61 Ų6137.5 Ų37.537%0.3721%0.21SC..Hα-helixtrans-63-42.3178.8-179.90000111S39 S40 H41 A47 N128S39-V43 PolarHBondContact O-N 3.23Å; S40-V43 PolarHBondContact O-N 3.06Å; H41-V43 VanDerWaalsContact C-N 3.35Å; H41-V43 PolarHBondContact O-N 3.19Å; V43-A47 PolarHBondContact O-N 3.03Å; V43-A47 VanDerWaalsContact O-N 3.11Å; V43-N128 PolarHBondContact O-ND2 3.19Å
44S87.5Confident85.6Confident52 Ų5231.5 Ų31.536%0.36419%0.186SC..Hα-helixtrans-71.9-43.4-178.6-560000112.5E21 S40 H41 I42 A47 A48E21-S44 WeakPolarHBondContact OE2-CB 3.42Å; S40-S44 WeakPolarHBondContact O-CB 3.44Å; S40-S44 PolarHBondContact O-N 3.24Å; S40-S44 PolarHBondContact O-OG 2.86Å; H41-S44 PolarHBondContact O-N 3.29Å; I42-S44 VanDerWaalsContact C-N 3.33Å; I42-S44 PolarHBondContact O-N 3.07Å; S44-A47 WeakPolarHBondContact O-CB 3.19Å; S44-A47 PolarHBondContact O-N 3.39Å; S44-A48 PolarHBondContact O-N 3.2Å
45F92.6Very high87Confident0 Ų030.2 Ų30.20%018%0.181CC..Hα-helixtrans-57.9-50.4170.5170.2-107.9000112E21 V22 I25 H41 A47 A48 V49 L135 L174 P177E21-F45 HydrophobicContact CB-CB 3.91Å; E21-F45 HydrophobicContact CB-CD2 4.23Å; V22-F45 HydrophobicContact CG2-CD2 4.07Å; V22-F45 HydrophobicContact CG2-CE2 3.58Å; I25-F45 HydrophobicContact CD1-CB 3.36Å; I25-F45 HydrophobicContact CD1-CD1 3.76Å; I25-F45 HydrophobicContact CD1-CD2 4.31Å; I25-F45 HydrophobicContact CD1-CG 3.56Å; I25-F45 HydrophobicContact CG1-CB 4.46Å; H41-F45 WeakPolarHBondContact O-CB 3.48Å; H41-F45 PolarHBondContact O-N 2.82Å; F45-A47 PolarHBondContact O-N 3.45Å; F45-A48 PolarHBondContact O-N 3.44Å; F45-V49 HydrophobicContact CD2-CG2 4.07Å; F45-V49 HydrophobicContact CE1-CG2 4.3Å; F45-V49 HydrophobicContact CE2-CG2 3.7Å; F45-V49 HydrophobicContact CZ-CG2 3.85Å; F45-V49 WeakPolarHBondContact O-CG2 3.38Å; F45-V49 PolarHBondContact O-N 2.86Å; F45-L135 HydrophobicContact CD1-CD2 4.01Å; F45-L135 HydrophobicContact CE1-CD1 3.98Å; F45-L135 HydrophobicContact CE1-CD2 3.84Å; F45-L135 HydrophobicContact CE1-CG 4.49Å; F45-L174 HydrophobicContact CE2-CD2 3.81Å; F45-L174 HydrophobicContact CZ-CD2 3.53Å; F45-P177 HydrophobicContact CE1-CB 3.97Å; F45-P177 HydrophobicContact CE1-CG 4.47Å; F45-P177 HydrophobicContact CE2-CB 4.41Å; F45-P177 HydrophobicContact CE2-CG 4.03Å; F45-P177 HydrophobicContact CZ-CB 3.71Å; F45-P177 HydrophobicContact CZ-CG 3.81Å
46C91.6Very high87.5Confident2 Ų231.4 Ų31.41%0.01419%0.194CC..Hα-helixtrans-60.5-33.2178.1-68.60000111.9I42 E50 N128 I131I42-C46 WeakPolarHBondContact O-CB 3.45Å; I42-C46 PolarHBondContact O-N 2.88Å; I42-C46 PolarHBondContact O-SG 3.11Å; C46-E50 VanDerWaalsContact O-CB 3.3Å; C46-E50 WeakPolarHBondContact O-CB 3.27Å; C46-E50 PolarHBondContact O-N 3.06Å; C46-N128 HydrophobicContact CB-CB 3.83Å; C46-I131 HydrophobicContact CB-CB 4.31Å; C46-I131 HydrophobicContact CB-CG2 3.95Å
47A90.1Very high87.8Confident43 Ų4331 Ų3136%0.35519%0.193SC..Hα-helixtrans-69.7-41.1173.900000112.4V43 S44 F45 E50 A51 N128V43-A47 PolarHBondContact O-N 3.03Å; V43-A47 VanDerWaalsContact O-N 3.11Å; S44-A47 WeakPolarHBondContact O-CB 3.19Å; S44-A47 PolarHBondContact O-N 3.39Å; F45-A47 PolarHBondContact O-N 3.45Å; A47-E50 PolarHBondContact O-N 2.72Å; A47-A51 WeakPolarHBondContact O-CB 3.32Å; A47-A51 PolarHBondContact O-N 3.39Å; A47-N128 WeakPolarHBondContact CA-ND2 3.44Å; A47-N128 WeakPolarHBondContact CB-ND2 3.15Å; A47-N128 PolarHBondContact N-ND2 3.46Å; A47-N128 VanDerWaalsContact N-ND2 3.17Å
48A91.1Very high88Confident9 Ų933 Ų337%0.07420%0.201CC..Hα-helixtrans-64.6-41.2176.700000111.9T17 V18 E21 S44 F45 C52T17-A48 HydrophobicContact CG2-CB 3.81Å; V18-A48 HydrophobicContact CG2-CB 3.92Å; E21-A48 HydrophobicContact CG-CB 4.18Å; S44-A48 PolarHBondContact O-N 3.2Å; F45-A48 PolarHBondContact O-N 3.44Å; A48-C52 PolarHBondContact O-N 2.97Å; A48-C52 VanDerWaalsContact O-N 3.17Å; A48-C52 PolarHBondContact O-SG 2.69Å
49V92.4Very high87.9Confident0 Ų039.3 Ų39.30%022%0.219CC..Hα-helixtrans-68.5-43.4174.9179.50000111.1F45 A51 C52 V53 I131 L140 L174F45-V49 HydrophobicContact CD2-CG2 4.07Å; F45-V49 HydrophobicContact CE1-CG2 4.3Å; F45-V49 HydrophobicContact CE2-CG2 3.7Å; F45-V49 HydrophobicContact CZ-CG2 3.85Å; F45-V49 WeakPolarHBondContact O-CG2 3.38Å; F45-V49 PolarHBondContact O-N 2.86Å; V49-A51 VanDerWaalsContact C-N 3.33Å; V49-A51 PolarHBondContact O-N 3.15Å; V49-C52 PolarHBondContact O-N 2.74Å; V49-C52 VanDerWaalsContact O-N 3.15Å; V49-V53 HydrophobicContact CG1-CG2 4.22Å; V49-V53 WeakPolarHBondContact O-CG2 3.34Å; V49-V53 PolarHBondContact O-N 3.17Å; V49-I131 HydrophobicContact CB-CG2 4.17Å; V49-I131 HydrophobicContact CG1-CG2 4.13Å; V49-L140 HydrophobicContact CG1-CD1 4.33Å; V49-L140 HydrophobicContact CG1-CD2 4.33Å; V49-L174 HydrophobicContact CG1-CD1 4.39Å; V49-L174 HydrophobicContact CG1-CD2 4.27Å; V49-L174 HydrophobicContact CG2-CD2 3.55Å
50E92.2Very high87.2Confident41 Ų4149.8 Ų49.819%0.19226%0.256CS..Hα-helixtrans-59.1-43174.6-175.2157.5162.500111.8C46 A47 C52 V53 L54 I70 N128 I131C46-E50 VanDerWaalsContact O-CB 3.3Å; C46-E50 WeakPolarHBondContact O-CB 3.27Å; C46-E50 PolarHBondContact O-N 3.06Å; A47-E50 PolarHBondContact O-N 2.72Å; E50-C52 VanDerWaalsContact C-N 3.3Å; E50-C52 PolarHBondContact O-N 2.78Å; E50-V53 PolarHBondContact O-N 2.93Å; E50-L54 HydrophobicContact CG-CD1 3.77Å; E50-L54 HydrophobicContact CG-CG 4.17Å; E50-L54 WeakPolarHBondContact O-CB 3.49Å; E50-L54 WeakPolarHBondContact O-CG 3.25Å; E50-L54 PolarHBondContact O-N 3.32Å; E50-I70 HydrophobicContact CG-CD1 4.09Å; E50-I70 HydrophobicContact CG-CG1 3.79Å; E50-N128 WeakPolarHBondContact OE2-CA 3.45Å; E50-N128 WeakPolarHBondContact OE2-CB 3.24Å; E50-I131 HydrophobicContact CB-CG1 4.07Å
51A91.1Very high86.3Confident42 Ų4246.2 Ų46.235%0.34723%0.231SC..Hα-helixtrans-59.7-39.1175.700000112.6L14 A47 V49 H55L14-A51 HydrophobicContact CD2-CB 3.91Å; A47-A51 WeakPolarHBondContact O-CB 3.32Å; A47-A51 PolarHBondContact O-N 3.39Å; V49-A51 VanDerWaalsContact C-N 3.33Å; V49-A51 PolarHBondContact O-N 3.15Å; A51-H55 PolarHBondContact O-N 3.41Å
52C90.6Very high85.3Confident0 Ų044.2 Ų44.20%022%0.224CC..Hα-helixtrans-69-43.8174.9-63.80000112.6V18 A48 V49 E50 L54 H55 I160 L170V18-C52 VanDerWaalsContact CG2-SG 3.55Å; A48-C52 PolarHBondContact O-N 2.97Å; A48-C52 VanDerWaalsContact O-N 3.17Å; A48-C52 PolarHBondContact O-SG 2.69Å; V49-C52 PolarHBondContact O-N 2.74Å; V49-C52 VanDerWaalsContact O-N 3.15Å; E50-C52 VanDerWaalsContact C-N 3.3Å; E50-C52 PolarHBondContact O-N 2.78Å; C52-L54 VanDerWaalsContact C-N 3.28Å; C52-L54 PolarHBondContact O-N 2.78Å; C52-H55 WeakPolarHBondContact O-CB 3.32Å; C52-H55 PolarHBondContact O-N 2.86Å; C52-I160 HydrophobicContact CB-CG2 4.04Å; C52-I160 WeakPolarHBondContact O-CG2 3.47Å; C52-L170 HydrophobicContact CB-CD1 4.41Å; C52-L170 HydrophobicContact CB-CD2 3.53Å
53V90.9Very high84.1Confident0 Ų045.9 Ų45.90%024%0.242CC..Hα-helixtrans-70.3-22.6-179.9175.40000112.3V49 E50 I70 L73 F74 V144 L147 Y155 L161V49-V53 HydrophobicContact CG1-CG2 4.22Å; V49-V53 WeakPolarHBondContact O-CG2 3.34Å; V49-V53 PolarHBondContact O-N 3.17Å; E50-V53 PolarHBondContact O-N 2.93Å; V53-I70 HydrophobicContact CB-CD1 4.14Å; V53-I70 HydrophobicContact CG1-CD1 3.6Å; V53-L73 HydrophobicContact CG1-CD2 3.75Å; V53-F74 HydrophobicContact CG1-CE1 4.45Å; V53-V144 HydrophobicContact CG2-CG2 4.04Å; V53-L147 HydrophobicContact CG1-CD1 4.35Å; V53-Y155 VanDerWaalsContact O-CE1 3.3Å; V53-Y155 WeakPolarHBondContact O-CE1 3.06Å; V53-Y155 PolarHBondContact O-OH 3.1Å; V53-L161 HydrophobicContact CG2-CD1 4.47Å
54L89.9Confident82.4Confident51 Ų5152.4 Ų52.427%0.26727%0.265SS..Hα-helixtrans-89.2-14.9172.7-65.8178.5000113.9E50 C52 G56 L57 K69 I70E50-L54 HydrophobicContact CG-CD1 3.77Å; E50-L54 HydrophobicContact CG-CG 4.17Å; E50-L54 WeakPolarHBondContact O-CB 3.49Å; E50-L54 WeakPolarHBondContact O-CG 3.25Å; E50-L54 PolarHBondContact O-N 3.32Å; C52-L54 VanDerWaalsContact C-N 3.28Å; C52-L54 PolarHBondContact O-N 2.78Å; L54-G56 PolarHBondContact O-N 3.27Å; L54-G56 VanDerWaalsContact O-N 3.15Å; L54-L57 HydrophobicContact CD2-CD2 3.81Å; L54-L57 WeakPolarHBondContact O-CB 3.4Å; L54-L57 PolarHBondContact O-N 2.87Å; L54-K69 HydrophobicContact CD2-CB 3.83Å; L54-K69 HydrophobicContact CD2-CD 4.35Å; L54-I70 HydrophobicContact CD2-CD1 3.67Å; L54-I70 HydrophobicContact CD2-CG1 4.21Å; L54-I70 HydrophobicContact CG-CD1 3.93Å; L54-I70 HydrophobicContact CG-CG1 4.49Å
55H90.9Very high80.6Confident45 Ų4557.8 Ų57.821%0.20829%0.289CS..THydrogen-bonded Turntrans-64.6113.4-176.2-168-101.8000111.6L14 A51 C52 L57 E158 A159 I160L14-H55 HydrophobicContact CD1-CB 3.99Å; A51-H55 PolarHBondContact O-N 3.41Å; C52-H55 WeakPolarHBondContact O-CB 3.32Å; C52-H55 PolarHBondContact O-N 2.86Å; H55-L57 VanDerWaalsContact C-N 3.32Å; H55-L57 PolarHBondContact O-N 2.75Å; H55-E158 PolarHBondContact CE1-O 3.03Å; H55-E158 VanDerWaalsContact CE1-O 3.28Å; H55-E158 PolarHBondContact ND1-O 2.73Å; H55-A159 WeakPolarHBondContact O-CA 3.4Å; H55-A159 WeakPolarHBondContact O-CB 3.5Å; H55-I160 HydrophobicContact CB-CG2 4.29Å; H55-I160 PolarHBondContact ND1-N 2.77Å
56G85.2Confident78.7Confident27 Ų2764.9 Ų64.928%0.27832%0.316SS..THydrogen-bonded Turntrans69.720.6-17800000115.1L54 K58 Y155 E156L54-G56 PolarHBondContact O-N 3.27Å; L54-G56 VanDerWaalsContact O-N 3.15Å; G56-K58 PolarHBondContact O-N 3.46Å; G56-Y155 WeakPolarHBondContact O-CA 3.46Å; G56-E156 PolarHBondContact O-N 3.44Å
57L87.3Confident77.3Confident23 Ų2371.1 Ų71.112%0.1236%0.359CS..BIsolated β-bridgetrans-67.4121.8179.2-178.464.4000112L54 H55 R59 A61 A62 L73 Y155L54-L57 HydrophobicContact CD2-CD2 3.81Å; L54-L57 WeakPolarHBondContact O-CB 3.4Å; L54-L57 PolarHBondContact O-N 2.87Å; H55-L57 VanDerWaalsContact C-N 3.32Å; H55-L57 PolarHBondContact O-N 2.75Å; L57-R59 PolarHBondContact O-N 2.92Å; L57-A61 HydrophobicContact CD1-CB 3.74Å; L57-A61 HydrophobicContact CG-CB 4.38Å; L57-A62 HydrophobicContact CD2-CB 3.93Å; L57-A62 HydrophobicContact CG-CB 4.36Å; L57-L73 HydrophobicContact CD1-CD1 4.04Å; L57-L73 HydrophobicContact CD1-CD2 4.02Å; L57-L73 HydrophobicContact CD2-CD2 4.3Å; L57-Y155 HydrophobicContact CB-CD1 4.27Å; L57-Y155 HydrophobicContact CB-CE1 3.94Å; L57-Y155 HydrophobicContact CD1-CD1 4.2Å; L57-Y155 HydrophobicContact CD1-CE1 3.65Å; L57-Y155 HydrophobicContact CG-CE1 4.4Å
58K84.9Confident76.8Confident69 Ų6971.1 Ų71.130%0.335%0.354SS..  trans-59.5138.6-178.8-72.6169.4166137.30111.3G56 R60 A61 A62 S152 Y154 Y155 E156G56-K58 PolarHBondContact O-N 3.46Å; K58-R60 PolarHBondContact O-N 2.75Å; K58-A61 HydrophobicContact CB-CB 4.44Å; K58-A61 WeakPolarHBondContact O-CA 3.24Å; K58-A61 WeakPolarHBondContact O-CB 3.44Å; K58-A61 PolarHBondContact O-N 2.82Å; K58-A62 PolarHBondContact O-N 3.13Å; K58-S152 PolarHBondContact NZ-O 3.07Å; K58-Y154 WeakPolarHBondContact CB-O 3.4Å; K58-Y154 WeakPolarHBondContact CG-O 3.37Å; K58-Y154 PolarHBondContact N-O 3.39Å; K58-Y155 WeakPolarHBondContact CE-O 3.35Å; K58-Y155 PolarHBondContact NZ-O 2.83Å; K58-E156 HydrophobicContact CG-CG 3.53Å
59R74.3Confident76.5Confident216 Ų21676.4 Ų76.482%0.81538%0.375SS*.THydrogen-bonded Turntrans-54.5-30.4176.5-57.6-176.1-171.8-174.81.7114L57 A61L57-R59 PolarHBondContact O-N 2.92Å; R59-A61 VanDerWaalsContact C-N 3.33Å
60R66.5Low76.1Confident232 Ų23276.4 Ų76.488%0.87538%0.375SS*.THydrogen-bonded Turntrans-81.3-3.2175.1-67.7-168.9-69.7179.7-3114.6K58 K76K58-R60 PolarHBondContact O-N 2.75Å; R60-K76 PolarHBondContact O-NZ 3.36Å
61A64.4Low75.8Confident3 Ų374.7 Ų74.73%0.02537%0.367CS..THydrogen-bonded Turntrans-99.4-40.7170.800000111.5L57 K58 R59 G63 L73 Y154L57-A61 HydrophobicContact CD1-CB 3.74Å; L57-A61 HydrophobicContact CG-CB 4.38Å; K58-A61 HydrophobicContact CB-CB 4.44Å; K58-A61 WeakPolarHBondContact O-CA 3.24Å; K58-A61 WeakPolarHBondContact O-CB 3.44Å; K58-A61 PolarHBondContact O-N 2.82Å; R59-A61 VanDerWaalsContact C-N 3.33Å; A61-G63 PolarHBondContact O-N 2.69Å; A61-L73 HydrophobicContact CB-CD1 4.44Å; A61-Y154 HydrophobicContact CB-CD1 4.14Å
62A62.8Low75.5Confident12 Ų1273.2 Ų73.210%0.09936%0.355CS..SBendtrans-68.4-8.8-179.800000115.9L57 K58 K69 A72L57-A62 HydrophobicContact CD2-CB 3.93Å; L57-A62 HydrophobicContact CG-CB 4.36Å; K58-A62 PolarHBondContact O-N 3.13Å; A62-K69 HydrophobicContact CB-CB 4.34Å; A62-K69 HydrophobicContact CB-CD 4.49Å; A62-K69 HydrophobicContact CB-CG 4.23Å; A62-A72 WeakPolarHBondContact O-CB 3.47Å
63G62.1Low75.3Confident36 Ų3673.2 Ų73.237%0.37136%0.355SS..  trans79.3139.5-176.300000113.1A61A61-G63 PolarHBondContact O-N 2.69Å
64F51.3Low75.2Confident197 Ų19773.2 Ų73.286%0.86436%0.355SS*.SBendtrans-81.2-17.8-172.6-157.1-104000114
65L50.7Low75Confident165 Ų16573.4 Ų73.486%0.86436%0.356SS*.SBendtrans-145.126.1-170.4-67.8173.6000113.9
66R53.7Low74.7Confident149 Ų14975.4 Ų75.456%0.56236%0.364SS*.  trans-111.6139173.4-74.5-169.1174.8-158.3-3.8110.7A72R66-A72 HydrophobicContact CB-CB 4.45Å
67S62.1Low74.8Confident133 Ų13374.1 Ų74.193%0.9335%0.35SS*.SBendtrans-68.4-37.3177.847.40000112.7
68N78.9Confident74.7Confident44 Ų4473.2 Ų73.224%0.23535%0.347CS..  trans-98.5112.5179.2-177.1-17000111I70 A71 A72 W130N68-I70 PolarHBondContact OD1-N 3.07Å; N68-I70 VanDerWaalsContact OD1-N 3.11Å; N68-A71 HydrophobicContact CB-CB 3.84Å; N68-A71 VanDerWaalsContact CG-CB 3.43Å; N68-A71 PolarHBondContact OD1-N 3.37Å; N68-A72 PolarHBondContact O-N 2.72Å; N68-W130 PolarHBondContact ND2-NE1 2.91Å
69K83.8Confident74.7Confident120 Ų12078.3 Ų78.352%0.52237%0.369SS..Hα-helixtrans-75.2-35.9-178.1-63.5178.1-176169.60113L54 A62 A72 L73L54-K69 HydrophobicContact CD2-CB 3.83Å; L54-K69 HydrophobicContact CD2-CD 4.35Å; A62-K69 HydrophobicContact CB-CB 4.34Å; A62-K69 HydrophobicContact CB-CD 4.49Å; A62-K69 HydrophobicContact CB-CG 4.23Å; K69-A72 PolarHBondContact O-N 3.03Å; K69-L73 PolarHBondContact O-N 2.76Å
70I85.8Confident75.1Confident0 Ų071.1 Ų71.10%035%0.352CS..Hα-helixtrans-66.6-45.5176.3-65.6-60.6000109.9E50 V53 L54 N68 A72 L73 F74 W130 I131E50-I70 HydrophobicContact CG-CD1 4.09Å; E50-I70 HydrophobicContact CG-CG1 3.79Å; V53-I70 HydrophobicContact CB-CD1 4.14Å; V53-I70 HydrophobicContact CG1-CD1 3.6Å; L54-I70 HydrophobicContact CD2-CD1 3.67Å; L54-I70 HydrophobicContact CD2-CG1 4.21Å; L54-I70 HydrophobicContact CG-CD1 3.93Å; L54-I70 HydrophobicContact CG-CG1 4.49Å; N68-I70 PolarHBondContact OD1-N 3.07Å; N68-I70 VanDerWaalsContact OD1-N 3.11Å; I70-A72 VanDerWaalsContact C-N 3.29Å; I70-A72 PolarHBondContact O-N 2.65Å; I70-L73 PolarHBondContact O-N 2.88Å; I70-L73 VanDerWaalsContact O-N 3.1Å; I70-F74 HydrophobicContact CG2-CD1 4.4Å; I70-F74 HydrophobicContact CG2-CD2 3.69Å; I70-F74 HydrophobicContact CG2-CE1 4.29Å; I70-F74 HydrophobicContact CG2-CE2 3.59Å; I70-F74 HydrophobicContact CG2-CG 4.15Å; I70-F74 HydrophobicContact CG2-CZ 3.91Å; I70-F74 PolarHBondContact O-N 3.06Å; I70-W130 HydrophobicContact CG2-CB 3.66Å; I70-W130 HydrophobicContact CG2-CG 4.5Å; I70-I131 HydrophobicContact CD1-CD1 4.38Å; I70-I131 HydrophobicContact CG2-CD1 3.86Å; I70-I131 HydrophobicContact CG2-CG1 4.37Å
71A84.5Confident76.1Confident4 Ų462.4 Ų62.43%0.03332%0.32CS..Hα-helixtrans-55.9-43.4174.100000112.2N68 M75 W130N68-A71 HydrophobicContact CB-CB 3.84Å; N68-A71 VanDerWaalsContact CG-CB 3.43Å; N68-A71 PolarHBondContact OD1-N 3.37Å; A71-M75 WeakPolarHBondContact O-CB 3.49Å; A71-M75 WeakPolarHBondContact O-CG 3.36Å; A71-M75 PolarHBondContact O-N 3.36Å; A71-W130 HydrophobicContact CB-CD2 3.76Å; A71-W130 HydrophobicContact CB-CE3 4.19Å; A71-W130 HydrophobicContact CB-CG 4.33Å; A71-W130 HydrophobicContact CB-CH2 3.99Å; A71-W130 HydrophobicContact CB-CZ2 3.53Å; A71-W130 HydrophobicContact CB-CZ3 4.29Å
72A85Confident77Confident11 Ų1165.6 Ų65.69%0.09135%0.346CS..Hα-helixtrans-66.4-36.1177.200000113.1A62 R66 N68 K69 I70 K76A62-A72 WeakPolarHBondContact O-CB 3.47Å; R66-A72 HydrophobicContact CB-CB 4.45Å; N68-A72 PolarHBondContact O-N 2.72Å; K69-A72 PolarHBondContact O-N 3.03Å; I70-A72 VanDerWaalsContact C-N 3.29Å; I70-A72 PolarHBondContact O-N 2.65Å; A72-K76 WeakPolarHBondContact O-CB 3.44Å; A72-K76 PolarHBondContact O-N 3.29Å
73L86.4Confident77.9Confident0 Ų067.5 Ų67.50%036%0.358CS..Hα-helixtrans-70.3-52.7175.9176.560.4000111.8V53 L57 A61 K69 I70 M75 K76 V77 L147 Y154 Y155V53-L73 HydrophobicContact CG1-CD2 3.75Å; L57-L73 HydrophobicContact CD1-CD1 4.04Å; L57-L73 HydrophobicContact CD1-CD2 4.02Å; L57-L73 HydrophobicContact CD2-CD2 4.3Å; A61-L73 HydrophobicContact CB-CD1 4.44Å; K69-L73 PolarHBondContact O-N 2.76Å; I70-L73 PolarHBondContact O-N 2.88Å; I70-L73 VanDerWaalsContact O-N 3.1Å; L73-M75 VanDerWaalsContact C-N 3.33Å; L73-M75 PolarHBondContact O-N 3.12Å; L73-K76 CarbonylContact O-C 3.53Å; L73-K76 WeakPolarHBondContact O-CA 3.31Å; L73-K76 WeakPolarHBondContact O-CB 3.33Å; L73-K76 PolarHBondContact O-N 3.17Å; L73-V77 HydrophobicContact CD1-CG2 4.43Å; L73-V77 PolarHBondContact O-N 3.23Å; L73-L147 HydrophobicContact CD1-CD2 3.95Å; L73-L147 HydrophobicContact CD2-CD1 4.08Å; L73-L147 HydrophobicContact CD2-CD2 4.25Å; L73-L147 HydrophobicContact CG-CD2 4.29Å; L73-Y154 HydrophobicContact CD1-CD1 3.62Å; L73-Y154 HydrophobicContact CD1-CE1 4.23Å; L73-Y154 HydrophobicContact CD1-CG 4.18Å; L73-Y155 WeakPolarHBondContact CD2-OH 3.23Å
74F88.6Confident78.9Confident0 Ų065.8 Ų65.80%034%0.34CS..Hα-helixtrans-63-39.9-178.4-70.7-4.1000111.2V53 I70 K76 V77 G78 F87 C88 W130 I131 A134 L140 I143 L147V53-F74 HydrophobicContact CG1-CE1 4.45Å; I70-F74 HydrophobicContact CG2-CD1 4.4Å; I70-F74 HydrophobicContact CG2-CD2 3.69Å; I70-F74 HydrophobicContact CG2-CE1 4.29Å; I70-F74 HydrophobicContact CG2-CE2 3.59Å; I70-F74 HydrophobicContact CG2-CG 4.15Å; I70-F74 HydrophobicContact CG2-CZ 3.91Å; I70-F74 PolarHBondContact O-N 3.06Å; F74-K76 PolarHBondContact O-N 3.32Å; F74-K76 VanDerWaalsContact O-N 3.15Å; F74-V77 PolarHBondContact O-N 2.87Å; F74-G78 PolarHBondContact O-N 2.76Å; F74-F87 HydrophobicContact CB-CE1 4.29Å; F74-F87 AromaticContact CD2-CE1 3.61Å; F74-F87 HydrophobicContact CD2-CE1 3.61Å; F74-F87 AromaticContact CD2-CZ 3.99Å; F74-F87 HydrophobicContact CD2-CZ 3.99Å; F74-F87 HydrophobicContact CE2-CE1 4.32Å; F74-F87 HydrophobicContact CE2-CZ 4.43Å; F74-F87 HydrophobicContact CG-CE1 4.35Å; F74-C88 VanDerWaalsContact C-SG 3.52Å; F74-W130 HydrophobicContact CB-CE3 4.22Å; F74-W130 HydrophobicContact CB-CZ3 4.42Å; F74-W130 HydrophobicContact CD2-CB 4.36Å; F74-W130 HydrophobicContact CD2-CE3 4.19Å; F74-I131 HydrophobicContact CE2-CD1 3.87Å; F74-I131 HydrophobicContact CZ-CD1 3.63Å; F74-A134 HydrophobicContact CE2-CB 4.42Å; F74-L140 HydrophobicContact CZ-CD1 4.4Å; F74-I143 HydrophobicContact CD1-CG2 3.82Å; F74-I143 HydrophobicContact CE1-CG2 3.5Å; F74-I143 VanDerWaalsContact CE1-CG2 3.5Å; F74-I143 HydrophobicContact CG-CG2 4.5Å; F74-I143 HydrophobicContact CZ-CG2 3.91Å; F74-L147 HydrophobicContact CE1-CD1 4.09Å
75M85.4Confident80.5Confident56 Ų5662 Ų6228%0.27633%0.325SS..Hα-helixtrans-62.1-19.1169.9-77.5-63.6-6700114.9A71 L73 C88 Q92 W130A71-M75 WeakPolarHBondContact O-CB 3.49Å; A71-M75 WeakPolarHBondContact O-CG 3.36Å; A71-M75 PolarHBondContact O-N 3.36Å; L73-M75 VanDerWaalsContact C-N 3.33Å; L73-M75 PolarHBondContact O-N 3.12Å; M75-C88 HydrophobicContact SD-CB 3.58Å; M75-C88 VanDerWaalsContact SD-CB 3.58Å; M75-Q92 VanDerWaalsContact CE-NE2 3.34Å; M75-Q92 PolarHBondContact SD-NE2 3.35Å; M75-W130 HydrophobicContact CG-CH2 4.2Å; M75-W130 HydrophobicContact CG-CZ3 4.36Å
76K86.1Confident82Confident86 Ų8658.8 Ų58.837%0.37431%0.306SS..Hα-helixtrans-93.6-20.1175-163.8-178.5-179.3-171.20112.4R60 A72 L73 F74 Y154R60-K76 PolarHBondContact O-NZ 3.36Å; A72-K76 WeakPolarHBondContact O-CB 3.44Å; A72-K76 PolarHBondContact O-N 3.29Å; L73-K76 CarbonylContact O-C 3.53Å; L73-K76 WeakPolarHBondContact O-CA 3.31Å; L73-K76 WeakPolarHBondContact O-CB 3.33Å; L73-K76 PolarHBondContact O-N 3.17Å; F74-K76 PolarHBondContact O-N 3.32Å; F74-K76 VanDerWaalsContact O-N 3.15Å; K76-Y154 HydrophobicContact CD-CE1 4.14Å; K76-Y154 HydrophobicContact CG-CE1 4.2Å
77V86.5Confident83.6Confident0 Ų051.8 Ų51.80%028%0.279CS..Hα-helixtrans-80.5-43.5171.1170.70000110.8L73 F74 K79 S80 F81 A84 Y146 L147 Y154L73-V77 HydrophobicContact CD1-CG2 4.43Å; L73-V77 PolarHBondContact O-N 3.23Å; F74-V77 PolarHBondContact O-N 2.87Å; V77-K79 PolarHBondContact O-N 3.3Å; V77-K79 VanDerWaalsContact O-N 3.14Å; V77-S80 CarbonylContact O-C 3.42Å; V77-S80 PolarHBondContact O-N 2.84Å; V77-S80 PolarHBondContact O-OG 3.46Å; V77-F81 HydrophobicContact CG1-CB 3.91Å; V77-F81 HydrophobicContact CG1-CD1 4.1Å; V77-F81 HydrophobicContact CG1-CG 4.43Å; V77-F81 PolarHBondContact O-N 3.02Å; V77-A84 HydrophobicContact CB-CB 4.46Å; V77-A84 HydrophobicContact CG1-CB 3.88Å; V77-Y146 HydrophobicContact CG1-CD1 3.66Å; V77-Y146 HydrophobicContact CG1-CE1 3.82Å; V77-Y146 HydrophobicContact CG1-CG 4.42Å; V77-Y146 HydrophobicContact CG2-CD1 4.47Å; V77-Y146 HydrophobicContact CG2-CE1 4.49Å; V77-L147 HydrophobicContact CG2-CD2 3.69Å; V77-L147 HydrophobicContact CG2-CG 4.27Å; V77-Y154 HydrophobicContact CG2-CE1 4.3Å
78G84.8Confident84.7Confident4 Ų445.7 Ų45.74%0.04124%0.236CC..Hα-helixtrans-51.2-40.2-18000000113.8F74 S80 F81F74-G78 PolarHBondContact O-N 2.76Å; G78-S80 PolarHBondContact O-N 3.33Å; G78-F81 CarbonylContact O-C 3.56Å; G78-F81 PolarHBondContact O-N 2.79Å; G78-F81 VanDerWaalsContact O-N 3.12Å
79K85.6Confident84.8Confident177 Ų17750.3 Ų50.377%0.7725%0.251SS*.THydrogen-bonded Turntrans-57.5-9.9175.4-63-167.2176.8-156.70115.8V77V77-K79 PolarHBondContact O-N 3.3Å; V77-K79 VanDerWaalsContact O-N 3.14Å
80S82.5Confident84.6Confident65 Ų6547.3 Ų47.346%0.45524%0.237SC..THydrogen-bonded Turntrans-144.619.3178.854.60000112.7V77 G78 Y146V77-S80 CarbonylContact O-C 3.42Å; V77-S80 PolarHBondContact O-N 2.84Å; V77-S80 PolarHBondContact O-OG 3.46Å; G78-S80 PolarHBondContact O-N 3.33Å; S80-Y146 WeakPolarHBondContact CB-OH 3.23Å; S80-Y146 PolarHBondContact O-OH 2.79Å; S80-Y146 PolarHBondContact OG-OH 2.99Å
81F88.1Confident84.5Confident49 Ų4947.3 Ų47.322%0.21524%0.238CC..  trans-161.198.3178.2-174.9-120.8000110.6V77 G78 P83 A84 E85 K142 I143 Y146V77-F81 HydrophobicContact CG1-CB 3.91Å; V77-F81 HydrophobicContact CG1-CD1 4.1Å; V77-F81 HydrophobicContact CG1-CG 4.43Å; V77-F81 PolarHBondContact O-N 3.02Å; G78-F81 CarbonylContact O-C 3.56Å; G78-F81 PolarHBondContact O-N 2.79Å; G78-F81 VanDerWaalsContact O-N 3.12Å; F81-P83 VanDerWaalsContact C-CD 3.5Å; F81-P83 HydrophobicContact CD1-CB 4.44Å; F81-P83 HydrophobicContact CE1-CB 3.84Å; F81-P83 HydrophobicContact CE1-CG 4.04Å; F81-P83 HydrophobicContact CE2-CG 4Å; F81-P83 HydrophobicContact CZ-CB 3.97Å; F81-P83 HydrophobicContact CZ-CG 3.71Å; F81-A84 HydrophobicContact CD1-CB 3.78Å; F81-A84 WeakPolarHBondContact O-CB 3.26Å; F81-A84 PolarHBondContact O-N 3.5Å; F81-E85 PolarHBondContact O-N 3.31Å; F81-K142 HydrophobicContact CE1-CB 4.41Å; F81-K142 HydrophobicContact CZ-CB 4.13Å; F81-I143 HydrophobicContact CE1-CG1 4.15Å; F81-Y146 HydrophobicContact CB-CD2 4.02Å; F81-Y146 HydrophobicContact CB-CE1 4.39Å; F81-Y146 HydrophobicContact CB-CE2 3.77Å; F81-Y146 HydrophobicContact CB-CG 4.4Å; F81-Y146 HydrophobicContact CD1-CD2 4.48Å; F81-Y146 HydrophobicContact CD1-CG 4.43Å; F81-Y146 AromaticContact CD2-CD2 3.66Å; F81-Y146 HydrophobicContact CD2-CD2 3.66Å; F81-Y146 AromaticContact CD2-CE2 3.97Å; F81-Y146 HydrophobicContact CD2-CE2 3.97Å; F81-Y146 HydrophobicContact CD2-CG 4.37Å; F81-Y146 HydrophobicContact CE2-CD2 4.25Å; F81-Y146 AromaticContact CG-CD2 3.8Å; F81-Y146 HydrophobicContact CG-CD2 3.8Å; F81-Y146 HydrophobicContact CG-CE2 4.05Å; F81-Y146 HydrophobicContact CG-CG 4.16Å
82A82.4Confident84.4Confident69 Ų6950.1 Ų50.157%0.5725%0.25SS*.Hα-helixtrans-55.1-38.8-170.800000115.7A84 E85 E86A82-A84 PolarHBondContact O-N 2.85Å; A82-E85 WeakPolarHBondContact O-CB 3.42Å; A82-E85 PolarHBondContact O-N 2.92Å; A82-E86 PolarHBondContact O-N 2.57Å; A82-E86 VanDerWaalsContact O-N 3.16Å
83P81.3Confident84.3Confident52 Ų5254.2 Ų54.234%0.33827%0.268SS..Hα-helixtrans-61.4-28.3176.3-25.235.9000113.8F81 F87F81-P83 VanDerWaalsContact C-CD 3.5Å; F81-P83 HydrophobicContact CD1-CB 4.44Å; F81-P83 HydrophobicContact CE1-CB 3.84Å; F81-P83 HydrophobicContact CE1-CG 4.04Å; F81-P83 HydrophobicContact CE2-CG 4Å; F81-P83 HydrophobicContact CZ-CB 3.97Å; F81-P83 HydrophobicContact CZ-CG 3.71Å; P83-F87 WeakPolarHBondContact O-CB 3.24Å
84A83.9Confident83.8Confident0 Ų058 Ų580%029%0.287CS..Hα-helixtrans-77.3-29.3171.500000112.6V77 F81 A82 C88 I143V77-A84 HydrophobicContact CB-CB 4.46Å; V77-A84 HydrophobicContact CG1-CB 3.88Å; F81-A84 HydrophobicContact CD1-CB 3.78Å; F81-A84 WeakPolarHBondContact O-CB 3.26Å; F81-A84 PolarHBondContact O-N 3.5Å; A82-A84 PolarHBondContact O-N 2.85Å; A84-C88 WeakPolarHBondContact O-CB 3.39Å; A84-C88 PolarHBondContact O-N 3.13Å; A84-C88 PolarHBondContact O-SG 2.9Å; A84-I143 HydrophobicContact CB-CD1 4.14Å; A84-I143 HydrophobicContact CB-CG1 4.13Å
85E85.1Confident83.4Confident118 Ų11861.3 Ų61.355%0.55130%0.303SS*.Hα-helixtrans-67.8-46.9178.5-175.1165.2-144.800111.9F81 A82 C88 R89F81-E85 PolarHBondContact O-N 3.31Å; A82-E85 WeakPolarHBondContact O-CB 3.42Å; A82-E85 PolarHBondContact O-N 2.92Å; E85-C88 WeakPolarHBondContact O-CB 3.49Å; E85-C88 PolarHBondContact O-N 3.33Å; E85-R89 PolarHBondContact O-N 2.89Å; E85-R89 VanDerWaalsContact O-N 3.14Å
86E82.2Confident83Confident97 Ų9764.6 Ų64.645%0.45332%0.317SS..Hα-helixtrans-62.4-48.3178-164.4-156.5133.400111.7A82 C88 R89 K90A82-E86 PolarHBondContact O-N 2.57Å; A82-E86 VanDerWaalsContact O-N 3.16Å; E86-C88 VanDerWaalsContact C-N 3.31Å; E86-C88 PolarHBondContact O-N 3.14Å; E86-R89 WeakPolarHBondContact O-CB 3.48Å; E86-R89 PolarHBondContact O-N 3.36Å; E86-K90 PolarHBondContact O-N 3.43Å; E86-K90 VanDerWaalsContact OE1-CE 3.23Å; E86-K90 WeakPolarHBondContact OE1-CE 3.39Å; E86-K90 IonicContact OE1-NZ 3.44Å; E86-K90 PolarHBondContact OE1-NZ 3.09Å
87F86Confident82.6Confident3 Ų364.1 Ų64.11%0.01332%0.321CS..Hα-helixtrans-57.8-41.9173.5150.9-93.7000111.9F74 P83 R89 K90 A91 W130 T133 A134 E137 V139 I143F74-F87 HydrophobicContact CB-CE1 4.29Å; F74-F87 AromaticContact CD2-CE1 3.61Å; F74-F87 HydrophobicContact CD2-CE1 3.61Å; F74-F87 AromaticContact CD2-CZ 3.99Å; F74-F87 HydrophobicContact CD2-CZ 3.99Å; F74-F87 HydrophobicContact CE2-CE1 4.32Å; F74-F87 HydrophobicContact CE2-CZ 4.43Å; F74-F87 HydrophobicContact CG-CE1 4.35Å; P83-F87 WeakPolarHBondContact O-CB 3.24Å; F87-R89 PolarHBondContact O-N 3.01Å; F87-K90 PolarHBondContact O-N 3.12Å; F87-A91 HydrophobicContact CE2-CB 4.09Å; F87-A91 HydrophobicContact CZ-CB 4.05Å; F87-A91 WeakPolarHBondContact O-CB 3.36Å; F87-A91 PolarHBondContact O-N 3.33Å; F87-W130 AromaticContact CE1-CE3 3.93Å; F87-W130 HydrophobicContact CE1-CE3 3.93Å; F87-W130 HydrophobicContact CE1-CZ3 4.31Å; F87-W130 AromaticContact CZ-CE3 3.88Å; F87-W130 HydrophobicContact CZ-CE3 3.88Å; F87-W130 WeakPolarHBondContact CZ-O 3.37Å; F87-T133 HydrophobicContact CD2-CG2 4.17Å; F87-T133 HydrophobicContact CE2-CG2 3.8Å; F87-A134 HydrophobicContact CD2-CB 4.15Å; F87-A134 HydrophobicContact CE1-CB 4.43Å; F87-A134 HydrophobicContact CE2-CB 3.69Å; F87-A134 VanDerWaalsContact CE2-N 3.34Å; F87-A134 HydrophobicContact CZ-CB 3.86Å; F87-E137 HydrophobicContact CD2-CG 4.45Å; F87-V139 HydrophobicContact CB-CG2 4.06Å; F87-V139 HydrophobicContact CD2-CG2 4.28Å; F87-V139 HydrophobicContact CG-CG2 4.12Å; F87-I143 HydrophobicContact CD1-CD1 3.99Å; F87-I143 HydrophobicContact CE1-CD1 4.41Å
88C84.9Confident81.9Confident4 Ų467.7 Ų67.73%0.02734%0.339CS..Hα-helixtrans-63.3-29.1179.3-81.70000112.9F74 M75 A84 E85 E86 Q92 W130F74-C88 VanDerWaalsContact C-SG 3.52Å; M75-C88 HydrophobicContact SD-CB 3.58Å; M75-C88 VanDerWaalsContact SD-CB 3.58Å; A84-C88 WeakPolarHBondContact O-CB 3.39Å; A84-C88 PolarHBondContact O-N 3.13Å; A84-C88 PolarHBondContact O-SG 2.9Å; E85-C88 WeakPolarHBondContact O-CB 3.49Å; E85-C88 PolarHBondContact O-N 3.33Å; E86-C88 VanDerWaalsContact C-N 3.31Å; E86-C88 PolarHBondContact O-N 3.14Å; C88-Q92 WeakPolarHBondContact O-CG 3.06Å; C88-Q92 PolarHBondContact O-N 3.33Å; C88-W130 HydrophobicContact CB-CZ3 4.32Å
89R82.8Confident81.3Confident142 Ų14272.2 Ų72.254%0.53636%0.359SS..Hα-helixtrans-68-53.3172.5-168.4-174.168.6-138.7-7.1110.5E85 E86 F87 A91 Q92 E93E85-R89 PolarHBondContact O-N 2.89Å; E85-R89 VanDerWaalsContact O-N 3.14Å; E86-R89 WeakPolarHBondContact O-CB 3.48Å; E86-R89 PolarHBondContact O-N 3.36Å; F87-R89 PolarHBondContact O-N 3.01Å; R89-A91 VanDerWaalsContact C-N 3.31Å; R89-A91 PolarHBondContact O-N 2.96Å; R89-Q92 PolarHBondContact O-N 2.78Å; R89-Q92 VanDerWaalsContact O-N 3.11Å; R89-E93 WeakPolarHBondContact CG-OE1 3.26Å; R89-E93 IonicContact NE-OE1 3.59Å; R89-E93 WeakPolarHBondContact O-CG 3.45Å; R89-E93 PolarHBondContact O-N 3.44Å
90K79.5Confident80.8Confident56 Ų5667.2 Ų67.224%0.24334%0.343CS..Hα-helixtrans-55.8-42.8177.5-67.6170.8170.2166.90112.2E86 F87 Q92 E93 L94 E137E86-K90 PolarHBondContact O-N 3.43Å; E86-K90 VanDerWaalsContact OE1-CE 3.23Å; E86-K90 WeakPolarHBondContact OE1-CE 3.39Å; E86-K90 IonicContact OE1-NZ 3.44Å; E86-K90 PolarHBondContact OE1-NZ 3.09Å; F87-K90 PolarHBondContact O-N 3.12Å; K90-Q92 PolarHBondContact O-N 2.92Å; K90-E93 PolarHBondContact O-N 3.3Å; K90-L94 WeakPolarHBondContact O-CG 3.46Å; K90-L94 PolarHBondContact O-N 2.85Å; K90-E137 WeakPolarHBondContact CD-OE2 3.35Å; K90-E137 WeakPolarHBondContact CE-OE2 3.46Å; K90-E137 IonicContact NZ-OE2 3.35Å; K90-E137 PolarHBondContact NZ-OE2 3.27Å
91A82.6Confident80Confident1 Ų170.8 Ų70.81%0.00835%0.351CS..Hα-helixtrans-62.8-38.4177.600000113.1F87 R89 E95 W130F87-A91 HydrophobicContact CE2-CB 4.09Å; F87-A91 HydrophobicContact CZ-CB 4.05Å; F87-A91 WeakPolarHBondContact O-CB 3.36Å; F87-A91 PolarHBondContact O-N 3.33Å; R89-A91 VanDerWaalsContact C-N 3.31Å; R89-A91 PolarHBondContact O-N 2.96Å; A91-E95 PolarHBondContact O-N 3.43Å; A91-W130 HydrophobicContact CB-CD2 4.08Å; A91-W130 HydrophobicContact CB-CE3 3.93Å; A91-W130 HydrophobicContact CB-CH2 3.96Å; A91-W130 HydrophobicContact CB-CZ2 4.09Å; A91-W130 HydrophobicContact CB-CZ3 3.89Å
92Q83.1Confident78.8Confident63 Ų6375.9 Ų75.929%0.29437%0.369SS..Hα-helixtrans-72.2-37.6176.1-74.7176.53800113.1M75 C88 R89 K90 L94 E95 Q96 W130M75-Q92 VanDerWaalsContact CE-NE2 3.34Å; M75-Q92 PolarHBondContact SD-NE2 3.35Å; C88-Q92 WeakPolarHBondContact O-CG 3.06Å; C88-Q92 PolarHBondContact O-N 3.33Å; R89-Q92 PolarHBondContact O-N 2.78Å; R89-Q92 VanDerWaalsContact O-N 3.11Å; K90-Q92 PolarHBondContact O-N 2.92Å; Q92-L94 VanDerWaalsContact C-N 3.28Å; Q92-L94 PolarHBondContact O-N 2.9Å; Q92-E95 PolarHBondContact O-N 2.72Å; Q92-Q96 WeakPolarHBondContact O-CB 3.17Å; Q92-Q96 VanDerWaalsContact O-CG 3.31Å; Q92-Q96 WeakPolarHBondContact O-CG 3.4Å; Q92-Q96 PolarHBondContact O-N 2.87Å; Q92-W130 HydrophobicContact CG-CH2 4Å; Q92-W130 HydrophobicContact CG-CZ2 4.22Å
93E81.9Confident77.9Confident97 Ų9775.1 Ų75.145%0.45336%0.359SS..Hα-helixtrans-59.9-42.1173.9-70.4163.7-176.400110.1R89 K90 Q96 V97R89-E93 WeakPolarHBondContact CG-OE1 3.26Å; R89-E93 IonicContact NE-OE1 3.59Å; R89-E93 WeakPolarHBondContact O-CG 3.45Å; R89-E93 PolarHBondContact O-N 3.44Å; K90-E93 PolarHBondContact O-N 3.3Å; E93-Q96 PolarHBondContact O-N 3.04Å; E93-V97 WeakPolarHBondContact O-CG2 3.22Å; E93-V97 PolarHBondContact O-N 3.11Å
94L75.8Confident76.8Confident80 Ų8078.1 Ų78.142%0.41937%0.369SS..Hα-helixtrans-65.7-44.9174.1-69.1170.8000113.2K90 Q92 Q96 V97 M98 T133K90-L94 WeakPolarHBondContact O-CG 3.46Å; K90-L94 PolarHBondContact O-N 2.85Å; Q92-L94 VanDerWaalsContact C-N 3.28Å; Q92-L94 PolarHBondContact O-N 2.9Å; L94-Q96 VanDerWaalsContact C-N 3.32Å; L94-Q96 PolarHBondContact O-N 3.41Å; L94-V97 PolarHBondContact O-N 2.96Å; L94-M98 WeakPolarHBondContact O-CG 3.1Å; L94-M98 PolarHBondContact O-N 3.21Å; L94-T133 HydrophobicContact CD1-CG2 3.97Å
95E80.3Confident75.4Confident69 Ų6982.1 Ų82.132%0.32240%0.397SS..Hα-helixtrans-58.5-42.7174.2-79.4-171.4151.200111.8A91 Q92 M98 E99 L129 W130A91-E95 PolarHBondContact O-N 3.43Å; Q92-E95 PolarHBondContact O-N 2.72Å; E95-M98 PolarHBondContact O-N 3.42Å; E95-E99 PolarHBondContact O-N 3.34Å; E95-L129 HydrophobicContact CG-CD2 3.69Å; E95-W130 PolarHBondContact OE1-NE1 3.47Å; E95-W130 WeakPolarHBondContact OE2-CZ2 3.36Å
96Q78.7Confident73.9Confident124 Ų12483 Ų8358%0.57940%0.404SS*.Hα-helixtrans-66.2-41.5177.5-72.6176.143.600112.4Q92 E93 L94 M98 E99 T100Q92-Q96 WeakPolarHBondContact O-CB 3.17Å; Q92-Q96 VanDerWaalsContact O-CG 3.31Å; Q92-Q96 WeakPolarHBondContact O-CG 3.4Å; Q92-Q96 PolarHBondContact O-N 2.87Å; E93-Q96 PolarHBondContact O-N 3.04Å; L94-Q96 VanDerWaalsContact C-N 3.32Å; L94-Q96 PolarHBondContact O-N 3.41Å; Q96-M98 VanDerWaalsContact C-N 3.33Å; Q96-M98 PolarHBondContact O-N 3.45Å; Q96-E99 PolarHBondContact O-N 3.06Å; Q96-T100 VanDerWaalsContact O-CB 3.25Å; Q96-T100 WeakPolarHBondContact O-CB 3.35Å; Q96-T100 PolarHBondContact O-N 3.01Å; Q96-T100 PolarHBondContact O-OG1 3.02Å
97V77.8Confident72.5Confident76 Ų7686.1 Ų86.146%0.46142%0.419SS..Hα-helixtrans-63.8-39.3175.3167.60000111.3E93 L94 K101E93-V97 WeakPolarHBondContact O-CG2 3.22Å; E93-V97 PolarHBondContact O-N 3.11Å; L94-V97 PolarHBondContact O-N 2.96Å; V97-K101 HydrophobicContact CG1-CD 4.39Å; V97-K101 WeakPolarHBondContact O-CG 3.23Å; V97-K101 PolarHBondContact O-N 2.94Å
98M70.9Confident70.6Confident75 Ų7590.1 Ų90.137%0.36945%0.447SS..Hα-helixtrans-65.3-47.7176.5-73.2177.865.500112.2L94 E95 Q96 T100 K101 R102 V126 L129L94-M98 WeakPolarHBondContact O-CG 3.1Å; L94-M98 PolarHBondContact O-N 3.21Å; E95-M98 PolarHBondContact O-N 3.42Å; Q96-M98 VanDerWaalsContact C-N 3.33Å; Q96-M98 PolarHBondContact O-N 3.45Å; M98-T100 VanDerWaalsContact C-N 3.34Å; M98-T100 PolarHBondContact O-N 3.32Å; M98-K101 PolarHBondContact O-N 2.89Å; M98-R102 WeakPolarHBondContact O-CB 3.38Å; M98-R102 PolarHBondContact O-N 2.74Å; M98-V126 HydrophobicContact CE-CB 4.1Å; M98-V126 HydrophobicContact CE-CG2 3.78Å; M98-L129 HydrophobicContact SD-CD1 4.46Å; M98-L129 HydrophobicContact SD-CD2 4.07Å
99E72.8Confident68.6Low99 Ų9998 Ų9846%0.46348%0.484SS..Hα-helixtrans-72.1-28.2-180-162.763.1-164.500112.2E95 Q96 R102 S103E95-E99 PolarHBondContact O-N 3.34Å; Q96-E99 PolarHBondContact O-N 3.06Å; E99-R102 WeakPolarHBondContact O-CB 3.45Å; E99-R102 PolarHBondContact O-N 3.48Å; E99-R102 IonicContact OE1-NH1 3.78Å; E99-R102 WeakPolarHBondContact OE2-CD 3.05Å; E99-R102 IonicContact OE2-CZ 3.65Å; E99-R102 IonicContact OE2-NH1 2.79Å; E99-R102 PolarHBondContact OE2-NH1 3.05Å; E99-S103 WeakPolarHBondContact O-CB 3.31Å; E99-S103 PolarHBondContact O-N 2.82Å; E99-S103 PolarHBondContact O-OG 3.28Å
100T73.3Confident66.6Low72 Ų7298.9 Ų98.944%0.44250%0.499SS..Hα-helixtrans-66-46.5170.5-58.50000111.3Q96 M98 R102 S103 Q104Q96-T100 VanDerWaalsContact O-CB 3.25Å; Q96-T100 WeakPolarHBondContact O-CB 3.35Å; Q96-T100 PolarHBondContact O-N 3.01Å; Q96-T100 PolarHBondContact O-OG1 3.02Å; M98-T100 VanDerWaalsContact C-N 3.34Å; M98-T100 PolarHBondContact O-N 3.32Å; T100-R102 VanDerWaalsContact C-N 3.3Å; T100-R102 PolarHBondContact O-N 2.93Å; T100-S103 WeakPolarHBondContact O-CB 3.17Å; T100-S103 PolarHBondContact O-N 3.03Å; T100-Q104 WeakPolarHBondContact O-CG 3.31Å; T100-Q104 PolarHBondContact O-N 2.94Å
101K66.8Low64.5Low140 Ų140101.6 Ų101.661%0.60953%0.525SS*.Hα-helixtrans-61.1-39.2174.3-76.6179177.2-176.60111.9V97 M98 Q104 S105V97-K101 HydrophobicContact CG1-CD 4.39Å; V97-K101 WeakPolarHBondContact O-CG 3.23Å; V97-K101 PolarHBondContact O-N 2.94Å; M98-K101 PolarHBondContact O-N 2.89Å; K101-Q104 PolarHBondContact O-N 3.28Å; K101-S105 WeakPolarHBondContact O-CB 3.24Å; K101-S105 PolarHBondContact O-N 3.26Å
102R63.5Low62.4Low156 Ų156109.1 Ų109.159%0.58956%0.564SS**Hα-helixtrans-62.2-42174.4-165.9-173.7-164.1173.32.1112.3M98 E99 T100 S105 L106M98-R102 WeakPolarHBondContact O-CB 3.38Å; M98-R102 PolarHBondContact O-N 2.74Å; E99-R102 WeakPolarHBondContact O-CB 3.45Å; E99-R102 PolarHBondContact O-N 3.48Å; E99-R102 IonicContact OE1-NH1 3.78Å; E99-R102 WeakPolarHBondContact OE2-CD 3.05Å; E99-R102 IonicContact OE2-CZ 3.65Å; E99-R102 IonicContact OE2-NH1 2.79Å; E99-R102 PolarHBondContact OE2-NH1 3.05Å; T100-R102 VanDerWaalsContact C-N 3.3Å; T100-R102 PolarHBondContact O-N 2.93Å; R102-S105 PolarHBondContact O-N 3.04Å; R102-L106 WeakPolarHBondContact O-CG 3.26Å; R102-L106 PolarHBondContact O-N 2.92Å
103S62.1Low60.3Low54 Ų54117.1 Ų117.138%0.37859%0.592SS.*Hα-helixtrans-66.1-43.1176.6-58.50000112E99 T100 S105 L106 Q107E99-S103 WeakPolarHBondContact O-CB 3.31Å; E99-S103 PolarHBondContact O-N 2.82Å; E99-S103 PolarHBondContact O-OG 3.28Å; T100-S103 WeakPolarHBondContact O-CB 3.17Å; T100-S103 PolarHBondContact O-N 3.03Å; S103-S105 VanDerWaalsContact C-N 3.34Å; S103-S105 PolarHBondContact O-N 2.8Å; S103-L106 PolarHBondContact O-N 3.4Å; S103-L106 VanDerWaalsContact O-N 3.13Å; S103-Q107 PolarHBondContact O-N 3.24Å
104Q58.5Low58.2Low115 Ų115124 Ų12454%0.53761%0.613SS.*Hα-helixtrans-62.3-40.3175-72.8172.9-14.200111.9T100 K101 L106 Q107 S108T100-Q104 WeakPolarHBondContact O-CG 3.31Å; T100-Q104 PolarHBondContact O-N 2.94Å; K101-Q104 PolarHBondContact O-N 3.28Å; Q104-L106 PolarHBondContact O-N 3.02Å; Q104-Q107 PolarHBondContact O-N 3.29Å; Q104-S108 PolarHBondContact O-N 3.06Å; Q104-S108 PolarHBondContact O-OG 3.24Å
105S55.6Low55.9Low83 Ų83128.9 Ų128.958%0.5864%0.637SS**Hα-helixtrans-64.2-16.2175-173.60000114.5K101 R102 S103K101-S105 WeakPolarHBondContact O-CB 3.24Å; K101-S105 PolarHBondContact O-N 3.26Å; R102-S105 PolarHBondContact O-N 3.04Å; S103-S105 VanDerWaalsContact C-N 3.34Å; S103-S105 PolarHBondContact O-N 2.8Å
106L53.8Low53.6Low136 Ų136131.2 Ų131.271%0.71266%0.657SS**Hα-helixtrans-95.4-23.9176.6-72.9164.6000112.7R102 S103 Q104R102-L106 WeakPolarHBondContact O-CG 3.26Å; R102-L106 PolarHBondContact O-N 2.92Å; S103-L106 PolarHBondContact O-N 3.4Å; S103-L106 VanDerWaalsContact O-N 3.13Å; Q104-L106 PolarHBondContact O-N 3.02Å
107Q51.8Low51.3Low164 Ų164137.3 Ų137.377%0.76668%0.675SS**Hα-helixtrans-86.4-12.6178.9-70.2-179.6-14.600113.6S103 Q104S103-Q107 PolarHBondContact O-N 3.24Å; Q104-Q107 PolarHBondContact O-N 3.29Å
108S45.8Very low48.9Very low86 Ų86141.2 Ų141.260%0.60169%0.693SS**SBendtrans-97.316.4-169.358.80000116Q104Q104-S108 PolarHBondContact O-N 3.06Å; Q104-S108 PolarHBondContact O-OG 3.24Å
109Q44.2Very low46.9Very low170 Ų170143.1 Ų143.179%0.79471%0.71SS**SBendtrans-89.7-22178.6-71.6-154.1-23.300115.3S111Q109-S111 VanDerWaalsContact C-N 3.33Å; Q109-S111 PolarHBondContact O-N 2.92Å
110D40.9Very low44.7Very low161 Ų161143.5 Ų143.586%0.86172%0.724SS**SBendtrans-9037.1-171.9-101.4-30.6000114.5
111S34.9Very low42.6Very low112 Ų112148 Ų14878%0.78375%0.745SS**SBendtrans-148.5109.9177.2-75.90000113.3Q109Q109-S111 VanDerWaalsContact C-N 3.33Å; Q109-S111 PolarHBondContact O-N 2.92Å
112L38.4Very low40.7Very low159 Ų159148.1 Ų148.183%0.83275%0.752SS**  trans-94.7117-167.5-70.6167.7000114.1
113R39Very low39.5Very low232 Ų232146.4 Ų146.488%0.87576%0.761SS**  161.5141.5115.5-89.3160.8-179.6-169.2-0.6115.5
114R37.3Very low38.6Very low240 Ų240149.1 Ų149.191%0.90678%0.777SS**  trans55.596.9156.8-70.7-174.9173.4177.4-2.4119
115M28Very low38.2Very low184 Ų184146.6 Ų146.691%0.90678%0.783SS**  trans-151.7165.5130.5-111.8-166.1161.500109.8
116P30.5Very low38.4Very low117 Ų117145.7 Ų145.776%0.7677%0.773SS**PPolyproline II helixtrans-74161.5-170.830.2-34.9000113.6L118P116-L118 PolarHBondContact O-N 2.74Å
117R30.5Very low38.9Very low252 Ų252147 Ų14795%0.95177%0.773SS**PPolyproline II helixtrans-76.3116.7-176.7-63.3176.9-178.5164.1-0.8111.5
118L27.2Very low40.2Very low159 Ų159140.8 Ų140.883%0.83275%0.745SS**PPolyproline II helixtrans-80.5157155.9-86.3151.4000110.2P116P116-L118 PolarHBondContact O-N 2.74Å
119P29.2Very low42Very low114 Ų114138 Ų13874%0.7472%0.723SS**PPolyproline II helixtrans-59.3139.3176.5-24.235000112.7L121P119-L121 PolarHBondContact O-N 3.2Å
120S26.8Very low44.1Very low108 Ų108130 Ų13076%0.75569%0.686SS**  trans-77.885-174.756.40000112.6N122S120-N122 VanDerWaalsContact C-N 3.3Å; S120-N122 PolarHBondContact O-N 3.41Å
121L28.8Very low46.4Very low167 Ų167122.4 Ų122.487%0.87465%0.645SS**  trans-70.686.6163.6-73.2175000110.1P119 P123P119-L121 PolarHBondContact O-N 3.2Å; L121-P123 VanDerWaalsContact O-CD 3.28Å; L121-P123 WeakPolarHBondContact O-CD 3.43Å
122N28.8Very low48.9Very low141 Ų141118.4 Ų118.475%0.75461%0.613SS**  trans-60.6117.6159.9-74.5-33.5000108.1S120 P124S120-N122 VanDerWaalsContact C-N 3.3Å; S120-N122 PolarHBondContact O-N 3.41Å; N122-P124 WeakPolarHBondContact O-CD 3.23Å
123P37.8Very low51.2Low120 Ų120111.5 Ų111.578%0.77958%0.577SS**  trans-76.7111.8176.929.5-31.2000109.4L121 G125L121-P123 VanDerWaalsContact O-CD 3.28Å; L121-P123 WeakPolarHBondContact O-CD 3.43Å; P123-G125 PolarHBondContact O-N 3.1Å
124P42.2Very low53.6Low111 Ų111100.4 Ų100.472%0.72154%0.536SS*.  trans-64134.816729.6-33.9000108.3N122 V126N122-P124 WeakPolarHBondContact O-CD 3.23Å; P124-V126 PolarHBondContact O-N 3.27Å; P124-V126 VanDerWaalsContact O-N 3.15Å
125G50.8Low56.1Low63 Ų6389 Ų8965%0.64949%0.492SS*.  trans-55.9123.4172.700000109.6P123 K127P123-G125 PolarHBondContact O-N 3.1Å; G125-K127 PolarHBondContact O-N 3.44Å
126V59.5Low58.9Low63 Ų6382.3 Ų82.338%0.38246%0.458SS..  trans-61.3103.8-169.2177.30000110M98 P124 L129M98-V126 HydrophobicContact CE-CB 4.1Å; M98-V126 HydrophobicContact CE-CG2 3.78Å; P124-V126 PolarHBondContact O-N 3.27Å; P124-V126 VanDerWaalsContact O-N 3.15Å; V126-L129 HydrophobicContact CB-CB 4.5Å; V126-L129 HydrophobicContact CB-CD1 4.33Å; V126-L129 HydrophobicContact CG1-CB 4.24Å; V126-L129 HydrophobicContact CG1-CD1 4.01Å
127K65.3Low61.6Low165 Ų16580.5 Ų80.572%0.71744%0.44SS*.THydrogen-bonded Turntrans-62.4144.3175.9-66.5-177.8-179.8176.60109.2G125 L129G125-K127 PolarHBondContact O-N 3.44Å; K127-L129 PolarHBondContact O-N 3.17Å; K127-L129 VanDerWaalsContact O-N 3.16Å
128N78.1Confident64.3Low33 Ų3371.8 Ų71.818%0.17641%0.409CS..THydrogen-bonded Turntrans60.624175.1-31-30.2000113.4V43 C46 A47 E50 W130 I131 R132V43-N128 PolarHBondContact O-ND2 3.19Å; C46-N128 HydrophobicContact CB-CB 3.83Å; A47-N128 WeakPolarHBondContact CA-ND2 3.44Å; A47-N128 WeakPolarHBondContact CB-ND2 3.15Å; A47-N128 PolarHBondContact N-ND2 3.46Å; A47-N128 VanDerWaalsContact N-ND2 3.17Å; E50-N128 WeakPolarHBondContact OE2-CA 3.45Å; E50-N128 WeakPolarHBondContact OE2-CB 3.24Å; N128-W130 VanDerWaalsContact C-N 3.26Å; N128-W130 PolarHBondContact O-N 3.02Å; N128-W130 VanDerWaalsContact O-N 3.09Å; N128-I131 PolarHBondContact O-N 3.41Å; N128-R132 PolarHBondContact O-N 3.42Å
129L83.7Confident67.2Low26 Ų2665.1 Ų65.114%0.13637%0.374CS..Hα-helixtrans-44.9-46.4-173.5176.362.7000113.3E95 M98 V126 K127 I131 R132 T133E95-L129 HydrophobicContact CG-CD2 3.69Å; M98-L129 HydrophobicContact SD-CD1 4.46Å; M98-L129 HydrophobicContact SD-CD2 4.07Å; V126-L129 HydrophobicContact CB-CB 4.5Å; V126-L129 HydrophobicContact CB-CD1 4.33Å; V126-L129 HydrophobicContact CG1-CB 4.24Å; V126-L129 HydrophobicContact CG1-CD1 4.01Å; K127-L129 PolarHBondContact O-N 3.17Å; K127-L129 VanDerWaalsContact O-N 3.16Å; L129-I131 PolarHBondContact O-N 3.21Å; L129-R132 PolarHBondContact O-N 3.4Å; L129-T133 WeakPolarHBondContact O-CB 3.11Å; L129-T133 PolarHBondContact O-N 2.94Å; L129-T133 PolarHBondContact O-OG1 3.46Å
130W87.5Confident70.2Confident4 Ų459.7 Ų59.72%0.01534%0.339CS..Hα-helixtrans-69.3-33.3-177-73.665.1000113.3N68 I70 A71 F74 M75 F87 C88 A91 Q92 E95 N128 A134N68-W130 PolarHBondContact ND2-NE1 2.91Å; I70-W130 HydrophobicContact CG2-CB 3.66Å; I70-W130 HydrophobicContact CG2-CG 4.5Å; A71-W130 HydrophobicContact CB-CD2 3.76Å; A71-W130 HydrophobicContact CB-CE3 4.19Å; A71-W130 HydrophobicContact CB-CG 4.33Å; A71-W130 HydrophobicContact CB-CH2 3.99Å; A71-W130 HydrophobicContact CB-CZ2 3.53Å; A71-W130 HydrophobicContact CB-CZ3 4.29Å; F74-W130 HydrophobicContact CB-CE3 4.22Å; F74-W130 HydrophobicContact CB-CZ3 4.42Å; F74-W130 HydrophobicContact CD2-CB 4.36Å; F74-W130 HydrophobicContact CD2-CE3 4.19Å; M75-W130 HydrophobicContact CG-CH2 4.2Å; M75-W130 HydrophobicContact CG-CZ3 4.36Å; F87-W130 AromaticContact CE1-CE3 3.93Å; F87-W130 HydrophobicContact CE1-CE3 3.93Å; F87-W130 HydrophobicContact CE1-CZ3 4.31Å; F87-W130 AromaticContact CZ-CE3 3.88Å; F87-W130 HydrophobicContact CZ-CE3 3.88Å; F87-W130 WeakPolarHBondContact CZ-O 3.37Å; C88-W130 HydrophobicContact CB-CZ3 4.32Å; A91-W130 HydrophobicContact CB-CD2 4.08Å; A91-W130 HydrophobicContact CB-CE3 3.93Å; A91-W130 HydrophobicContact CB-CH2 3.96Å; A91-W130 HydrophobicContact CB-CZ2 4.09Å; A91-W130 HydrophobicContact CB-CZ3 3.89Å; Q92-W130 HydrophobicContact CG-CH2 4Å; Q92-W130 HydrophobicContact CG-CZ2 4.22Å; E95-W130 PolarHBondContact OE1-NE1 3.47Å; E95-W130 WeakPolarHBondContact OE2-CZ2 3.36Å; N128-W130 VanDerWaalsContact C-N 3.26Å; N128-W130 PolarHBondContact O-N 3.02Å; N128-W130 VanDerWaalsContact O-N 3.09Å; W130-A134 VanDerWaalsContact O-CB 3.25Å; W130-A134 WeakPolarHBondContact O-CB 3.34Å; W130-A134 PolarHBondContact O-N 2.76Å; W130-A134 VanDerWaalsContact O-N 3.14Å
131I89.8Confident73Confident0 Ų055.8 Ų55.80%031%0.31CS..Hα-helixtrans-71.6-43.6173.2-57.4-57.9000109.8C46 V49 E50 I70 F74 N128 L129 A134 L135 L140C46-I131 HydrophobicContact CB-CB 4.31Å; C46-I131 HydrophobicContact CB-CG2 3.95Å; V49-I131 HydrophobicContact CB-CG2 4.17Å; V49-I131 HydrophobicContact CG1-CG2 4.13Å; E50-I131 HydrophobicContact CB-CG1 4.07Å; I70-I131 HydrophobicContact CD1-CD1 4.38Å; I70-I131 HydrophobicContact CG2-CD1 3.86Å; I70-I131 HydrophobicContact CG2-CG1 4.37Å; F74-I131 HydrophobicContact CE2-CD1 3.87Å; F74-I131 HydrophobicContact CZ-CD1 3.63Å; N128-I131 PolarHBondContact O-N 3.41Å; L129-I131 PolarHBondContact O-N 3.21Å; I131-A134 PolarHBondContact O-N 3.41Å; I131-L135 WeakPolarHBondContact O-CB 3.45Å; I131-L135 PolarHBondContact O-N 3.13Å; I131-L140 HydrophobicContact CD1-CD1 4.13Å; I131-L140 HydrophobicContact CG2-CD1 4.1Å; I131-L140 HydrophobicContact CG2-CD2 3.72Å
132R88.6Confident75.8Confident28 Ų2852.4 Ų52.411%0.10629%0.288CS..Hα-helixtrans-63.3-44.4178.9-179.2177.2166.8121.4-11.5112.6E37 D38 N128 L129 L135 F136E37-R132 PolarHBondContact O-NH1 2.85Å; E37-R132 PolarHBondContact O-NH2 3.5Å; E37-R132 VanDerWaalsContact O-NH2 3.14Å; E37-R132 IonicContact OE2-NH2 2.7Å; D38-R132 IonicContact OD1-CZ 3.06Å; D38-R132 IonicContact OD1-NH2 3.7Å; D38-R132 PolarHBondContact OD1-NH2 3.04Å; N128-R132 PolarHBondContact O-N 3.42Å; L129-R132 PolarHBondContact O-N 3.4Å; R132-L135 WeakPolarHBondContact O-CB 3.33Å; R132-L135 PolarHBondContact O-N 2.93Å; R132-F136 HydrophobicContact CG-CD2 4.18Å; R132-F136 HydrophobicContact CG-CE1 4.28Å; R132-F136 HydrophobicContact CG-CE2 3.52Å; R132-F136 HydrophobicContact CG-CZ 3.58Å; R132-F136 VanDerWaalsContact O-CG 3.28Å; R132-F136 WeakPolarHBondContact O-CG 3.12Å; R132-F136 PolarHBondContact O-N 2.81Å; R132-F136 VanDerWaalsContact O-N 3.09Å
133T86.9Confident78.7Confident14 Ų1445.7 Ų45.79%0.08625%0.252CS..Hα-helixtrans-67.9-38.2174.9-58.50000111.4F87 L94 L129 L135 F136 E137F87-T133 HydrophobicContact CD2-CG2 4.17Å; F87-T133 HydrophobicContact CE2-CG2 3.8Å; L94-T133 HydrophobicContact CD1-CG2 3.97Å; L129-T133 WeakPolarHBondContact O-CB 3.11Å; L129-T133 PolarHBondContact O-N 2.94Å; L129-T133 PolarHBondContact O-OG1 3.46Å; T133-L135 VanDerWaalsContact C-N 3.29Å; T133-L135 PolarHBondContact O-N 3.42Å; T133-F136 PolarHBondContact O-N 3.38Å; T133-E137 HydrophobicContact CG2-CG 4.13Å; T133-E137 WeakPolarHBondContact O-CB 3.38Å; T133-E137 VanDerWaalsContact O-CG 3.24Å; T133-E137 WeakPolarHBondContact O-CG 3.27Å; T133-E137 PolarHBondContact O-N 3.31Å
134A88.7Confident81.3Confident0 Ų040 Ų400%022%0.215CC..Hα-helixtrans-66.9-30175.900000113F74 F87 W130 I131 V139 L140 I143F74-A134 HydrophobicContact CE2-CB 4.42Å; F87-A134 HydrophobicContact CD2-CB 4.15Å; F87-A134 HydrophobicContact CE1-CB 4.43Å; F87-A134 HydrophobicContact CE2-CB 3.69Å; F87-A134 VanDerWaalsContact CE2-N 3.34Å; F87-A134 HydrophobicContact CZ-CB 3.86Å; W130-A134 VanDerWaalsContact O-CB 3.25Å; W130-A134 WeakPolarHBondContact O-CB 3.34Å; W130-A134 PolarHBondContact O-N 2.76Å; W130-A134 VanDerWaalsContact O-N 3.14Å; I131-A134 PolarHBondContact O-N 3.41Å; A134-V139 HydrophobicContact CB-CG2 4.2Å; A134-V139 WeakPolarHBondContact O-CG2 3.37Å; A134-V139 PolarHBondContact O-N 2.98Å; A134-L140 HydrophobicContact CB-CB 3.85Å; A134-L140 HydrophobicContact CB-CD1 4.21Å; A134-L140 PolarHBondContact O-N 3.2Å; A134-I143 HydrophobicContact CB-CD1 4.45Å
135L89.8Confident83.5Confident0 Ų037.4 Ų37.40%020%0.195CC..Hα-helixtrans-66.3-52.1172175.763.2000110.8I42 F45 I131 R132 T133 E137 K138 L140 P177 Y182I42-L135 HydrophobicContact CG2-CD2 4.25Å; F45-L135 HydrophobicContact CD1-CD2 4.01Å; F45-L135 HydrophobicContact CE1-CD1 3.98Å; F45-L135 HydrophobicContact CE1-CD2 3.84Å; F45-L135 HydrophobicContact CE1-CG 4.49Å; I131-L135 WeakPolarHBondContact O-CB 3.45Å; I131-L135 PolarHBondContact O-N 3.13Å; R132-L135 WeakPolarHBondContact O-CB 3.33Å; R132-L135 PolarHBondContact O-N 2.93Å; T133-L135 VanDerWaalsContact C-N 3.29Å; T133-L135 PolarHBondContact O-N 3.42Å; L135-E137 PolarHBondContact O-N 2.81Å; L135-K138 PolarHBondContact O-N 3.17Å; L135-L140 HydrophobicContact CB-CD2 4.07Å; L135-P177 HydrophobicContact CD1-CB 3.95Å; L135-Y182 HydrophobicContact CD1-CE2 4.18Å; L135-Y182 HydrophobicContact CD2-CE2 4.27Å; L135-Y182 HydrophobicContact CG-CE2 3.9Å
136F86.3Confident85.3Confident44 Ų4435.7 Ų35.719%0.19317%0.169CC..Hα-helixtrans-68.8-32.1-177.2-59.3-16.4000113.1E37 I42 R132 T133 K138 Y182E37-F136 HydrophobicContact CB-CE2 3.99Å; E37-F136 HydrophobicContact CB-CZ 3.82Å; E37-F136 HydrophobicContact CG-CD2 4.2Å; E37-F136 HydrophobicContact CG-CE1 4.27Å; E37-F136 HydrophobicContact CG-CE2 3.52Å; E37-F136 HydrophobicContact CG-CZ 3.57Å; E37-F136 WeakPolarHBondContact OE2-CE2 3.18Å; I42-F136 HydrophobicContact CD1-CE1 4.28Å; I42-F136 HydrophobicContact CD1-CZ 4.46Å; I42-F136 HydrophobicContact CG2-CE1 4.11Å; I42-F136 HydrophobicContact CG2-CZ 4.1Å; R132-F136 HydrophobicContact CG-CD2 4.18Å; R132-F136 HydrophobicContact CG-CE1 4.28Å; R132-F136 HydrophobicContact CG-CE2 3.52Å; R132-F136 HydrophobicContact CG-CZ 3.58Å; R132-F136 VanDerWaalsContact O-CG 3.28Å; R132-F136 WeakPolarHBondContact O-CG 3.12Å; R132-F136 PolarHBondContact O-N 2.81Å; R132-F136 VanDerWaalsContact O-N 3.09Å; T133-F136 PolarHBondContact O-N 3.38Å; F136-K138 PolarHBondContact O-N 3.34Å; F136-Y182 HydrophobicContact CD1-CD1 4.39Å; F136-Y182 AromaticContact CD1-CD2 3.48Å; F136-Y182 HydrophobicContact CD1-CD2 3.48Å; F136-Y182 VanDerWaalsContact CD1-CD2 3.48Å; F136-Y182 HydrophobicContact CD1-CE2 4.01Å; F136-Y182 AromaticContact CD1-CG 3.68Å; F136-Y182 HydrophobicContact CD1-CG 3.68Å; F136-Y182 AromaticContact CE1-CD1 3.92Å; F136-Y182 HydrophobicContact CE1-CD1 3.92Å; F136-Y182 AromaticContact CE1-CD2 3.86Å; F136-Y182 HydrophobicContact CE1-CD2 3.86Å; F136-Y182 HydrophobicContact CE1-CE1 4.37Å; F136-Y182 HydrophobicContact CE1-CE2 4.3Å; F136-Y182 AromaticContact CE1-CG 3.63Å; F136-Y182 HydrophobicContact CE1-CG 3.63Å
137E86.9Confident86.8Confident78 Ų7832.7 Ų32.736%0.36415%0.151SC..THydrogen-bonded Turntrans-77.14.9171.7-65.5-78.7147.700113.1F87 K90 T133 L135 V139F87-E137 HydrophobicContact CD2-CG 4.45Å; K90-E137 WeakPolarHBondContact CD-OE2 3.35Å; K90-E137 WeakPolarHBondContact CE-OE2 3.46Å; K90-E137 IonicContact NZ-OE2 3.35Å; K90-E137 PolarHBondContact NZ-OE2 3.27Å; T133-E137 HydrophobicContact CG2-CG 4.13Å; T133-E137 WeakPolarHBondContact O-CB 3.38Å; T133-E137 VanDerWaalsContact O-CG 3.24Å; T133-E137 WeakPolarHBondContact O-CG 3.27Å; T133-E137 PolarHBondContact O-N 3.31Å; L135-E137 PolarHBondContact O-N 2.81Å; E137-V139 VanDerWaalsContact C-N 3.33Å; E137-V139 HydrophobicContact CB-CG2 4.03Å; E137-V139 PolarHBondContact O-N 3.46Å
138K88.1Confident87.9Confident70 Ų7025.7 Ų25.730%0.30412%0.122SC..THydrogen-bonded Turntrans52.643179-50.2-164.4-178-167.40113.6L135 F136 K142 C178 A179 L180 E181L135-K138 PolarHBondContact O-N 3.17Å; F136-K138 PolarHBondContact O-N 3.34Å; K138-K142 PolarHBondContact O-NZ 3.3Å; K138-C178 WeakPolarHBondContact CB-O 3.31Å; K138-C178 WeakPolarHBondContact CD-O 3.39Å; K138-C178 WeakPolarHBondContact CG-O 3.36Å; K138-A179 PolarHBondContact NZ-O 2.83Å; K138-L180 WeakPolarHBondContact CE-O 3.29Å; K138-L180 PolarHBondContact NZ-O 2.84Å; K138-L180 VanDerWaalsContact NZ-O 3.15Å; K138-E181 IonicContact NZ-OE1 3.3Å
139V88.7Confident88.3Confident18 Ų1830.7 Ų30.711%0.10914%0.144CC..  trans-127.6-11179.6-690000115.7F87 A134 E137 D141 K142 I143F87-V139 HydrophobicContact CB-CG2 4.06Å; F87-V139 HydrophobicContact CD2-CG2 4.28Å; F87-V139 HydrophobicContact CG-CG2 4.12Å; A134-V139 HydrophobicContact CB-CG2 4.2Å; A134-V139 WeakPolarHBondContact O-CG2 3.37Å; A134-V139 PolarHBondContact O-N 2.98Å; E137-V139 VanDerWaalsContact C-N 3.33Å; E137-V139 HydrophobicContact CB-CG2 4.03Å; E137-V139 PolarHBondContact O-N 3.46Å; V139-D141 VanDerWaalsContact C-N 3.31Å; V139-D141 PolarHBondContact O-N 2.62Å; V139-K142 PolarHBondContact O-N 3.16Å; V139-I143 HydrophobicContact CB-CD1 4.22Å; V139-I143 HydrophobicContact CG2-CD1 3.93Å; V139-I143 VanDerWaalsContact O-CG1 3.31Å; V139-I143 WeakPolarHBondContact O-CG1 3.29Å; V139-I143 PolarHBondContact O-N 3.41Å
140L91.2Very high88.5Confident0 Ų030.6 Ų30.60%014%0.144CC..Hα-helixtrans-59.3-39.3-176174.564.4000113V49 F74 I131 A134 L135 I143 V144 L174V49-L140 HydrophobicContact CG1-CD1 4.33Å; V49-L140 HydrophobicContact CG1-CD2 4.33Å; F74-L140 HydrophobicContact CZ-CD1 4.4Å; I131-L140 HydrophobicContact CD1-CD1 4.13Å; I131-L140 HydrophobicContact CG2-CD1 4.1Å; I131-L140 HydrophobicContact CG2-CD2 3.72Å; A134-L140 HydrophobicContact CB-CB 3.85Å; A134-L140 HydrophobicContact CB-CD1 4.21Å; A134-L140 PolarHBondContact O-N 3.2Å; L135-L140 HydrophobicContact CB-CD2 4.07Å; L140-I143 PolarHBondContact O-N 3.35Å; L140-V144 HydrophobicContact CD1-CG2 4.13Å; L140-V144 WeakPolarHBondContact O-CB 3.38Å; L140-V144 WeakPolarHBondContact O-CG2 3.31Å; L140-V144 PolarHBondContact O-N 3.26Å; L140-L174 HydrophobicContact CG-CD1 4.45Å
141D86.4Confident88.5Confident26 Ų2631.1 Ų31.114%0.13915%0.148CC..Hα-helixtrans-57-50.2173.466-41.2000112V139 I143 V144 L145 L174 V175 C178V139-D141 VanDerWaalsContact C-N 3.31Å; V139-D141 PolarHBondContact O-N 2.62Å; D141-I143 PolarHBondContact O-N 2.78Å; D141-V144 PolarHBondContact O-N 3.21Å; D141-L145 WeakPolarHBondContact O-CB 3.42Å; D141-L145 PolarHBondContact O-N 3.19Å; D141-L174 HydrophobicContact CB-CB 4.1Å; D141-V175 HydrophobicContact CB-CG2 4.41Å; D141-C178 HydrophobicContact CB-CB 4.13Å
142K87.8Confident88.4Confident97 Ų9734.9 Ų34.942%0.42217%0.174SC..Hα-helixtrans-65-40.5-179.4-64.2153.3-162.5160.30111.4F81 K138 V139 Y146F81-K142 HydrophobicContact CE1-CB 4.41Å; F81-K142 HydrophobicContact CZ-CB 4.13Å; K138-K142 PolarHBondContact O-NZ 3.3Å; V139-K142 PolarHBondContact O-N 3.16Å; K142-Y146 WeakPolarHBondContact O-CB 3.46Å; K142-Y146 PolarHBondContact O-N 3.04Å
143I89.6Confident88.2Confident0 Ų039.6 Ų39.60%020%0.196CC..Hα-helixtrans-66.7-41.7177.1-66.5171.2000111F74 F81 A84 F87 A134 V139 L140 D141 L147F74-I143 HydrophobicContact CD1-CG2 3.82Å; F74-I143 HydrophobicContact CE1-CG2 3.5Å; F74-I143 VanDerWaalsContact CE1-CG2 3.5Å; F74-I143 HydrophobicContact CG-CG2 4.5Å; F74-I143 HydrophobicContact CZ-CG2 3.91Å; F81-I143 HydrophobicContact CE1-CG1 4.15Å; A84-I143 HydrophobicContact CB-CD1 4.14Å; A84-I143 HydrophobicContact CB-CG1 4.13Å; F87-I143 HydrophobicContact CD1-CD1 3.99Å; F87-I143 HydrophobicContact CE1-CD1 4.41Å; A134-I143 HydrophobicContact CB-CD1 4.45Å; V139-I143 HydrophobicContact CB-CD1 4.22Å; V139-I143 HydrophobicContact CG2-CD1 3.93Å; V139-I143 VanDerWaalsContact O-CG1 3.31Å; V139-I143 WeakPolarHBondContact O-CG1 3.29Å; V139-I143 PolarHBondContact O-N 3.41Å; L140-I143 PolarHBondContact O-N 3.35Å; D141-I143 PolarHBondContact O-N 2.78Å; I143-L147 HydrophobicContact CG2-CD1 4.2Å; I143-L147 VanDerWaalsContact O-CG 3.31Å; I143-L147 WeakPolarHBondContact O-CG 3.43Å; I143-L147 PolarHBondContact O-N 2.97Å; I143-L147 VanDerWaalsContact O-N 3.08Å
144V91.1Very high88.2Confident0 Ų039.4 Ų39.40%019%0.194CC..Hα-helixtrans-70.2-40177.3171.20000111.4V53 L140 D141 Y146 L147 V148 L161 L170 A171 L174V53-V144 HydrophobicContact CG2-CG2 4.04Å; L140-V144 HydrophobicContact CD1-CG2 4.13Å; L140-V144 WeakPolarHBondContact O-CB 3.38Å; L140-V144 WeakPolarHBondContact O-CG2 3.31Å; L140-V144 PolarHBondContact O-N 3.26Å; D141-V144 PolarHBondContact O-N 3.21Å; V144-Y146 PolarHBondContact O-N 2.7Å; V144-L147 WeakPolarHBondContact O-CB 3.26Å; V144-L147 PolarHBondContact O-N 3.06Å; V144-L147 VanDerWaalsContact O-N 3.13Å; V144-V148 WeakPolarHBondContact O-CG2 3.29Å; V144-V148 PolarHBondContact O-N 3.49Å; V144-L161 HydrophobicContact CG1-CD2 3.96Å; V144-L170 HydrophobicContact CG1-CG 4.46Å; V144-A171 HydrophobicContact CG1-CB 4.3Å; V144-L174 HydrophobicContact CB-CD1 3.69Å; V144-L174 HydrophobicContact CG1-CD1 3.78Å; V144-L174 HydrophobicContact CG2-CD1 3.64Å
145L87.8Confident88.3Confident57 Ų5739.5 Ų39.530%0.29819%0.194SC..Hα-helixtrans-58.5-48.7173.7-177.160.9000111.5D141 L147 V148 E149 A171D141-L145 WeakPolarHBondContact O-CB 3.42Å; D141-L145 PolarHBondContact O-N 3.19Å; L145-L147 PolarHBondContact O-N 2.97Å; L145-V148 WeakPolarHBondContact O-CB 3.41Å; L145-V148 PolarHBondContact O-N 2.86Å; L145-E149 PolarHBondContact O-N 3.05Å; L145-A171 HydrophobicContact CB-CB 4.26Å; L145-A171 HydrophobicContact CD1-CB 4.1Å
146Y89.7Confident88.2Confident27 Ų2744.2 Ų44.211%0.10622%0.216CC..Hα-helixtrans-56.7-38.9174.3-177.1-85.3000112.4V77 S80 F81 K142 V144 E149 N150V77-Y146 HydrophobicContact CG1-CD1 3.66Å; V77-Y146 HydrophobicContact CG1-CE1 3.82Å; V77-Y146 HydrophobicContact CG1-CG 4.42Å; V77-Y146 HydrophobicContact CG2-CD1 4.47Å; V77-Y146 HydrophobicContact CG2-CE1 4.49Å; S80-Y146 WeakPolarHBondContact CB-OH 3.23Å; S80-Y146 PolarHBondContact O-OH 2.79Å; S80-Y146 PolarHBondContact OG-OH 2.99Å; F81-Y146 HydrophobicContact CB-CD2 4.02Å; F81-Y146 HydrophobicContact CB-CE1 4.39Å; F81-Y146 HydrophobicContact CB-CE2 3.77Å; F81-Y146 HydrophobicContact CB-CG 4.4Å; F81-Y146 HydrophobicContact CD1-CD2 4.48Å; F81-Y146 HydrophobicContact CD1-CG 4.43Å; F81-Y146 AromaticContact CD2-CD2 3.66Å; F81-Y146 HydrophobicContact CD2-CD2 3.66Å; F81-Y146 AromaticContact CD2-CE2 3.97Å; F81-Y146 HydrophobicContact CD2-CE2 3.97Å; F81-Y146 HydrophobicContact CD2-CG 4.37Å; F81-Y146 HydrophobicContact CE2-CD2 4.25Å; F81-Y146 AromaticContact CG-CD2 3.8Å; F81-Y146 HydrophobicContact CG-CD2 3.8Å; F81-Y146 HydrophobicContact CG-CE2 4.05Å; F81-Y146 HydrophobicContact CG-CG 4.16Å; K142-Y146 WeakPolarHBondContact O-CB 3.46Å; K142-Y146 PolarHBondContact O-N 3.04Å; V144-Y146 PolarHBondContact O-N 2.7Å; Y146-E149 PolarHBondContact O-N 3.22Å; Y146-N150 HydrophobicContact CD1-CB 4.42Å; Y146-N150 HydrophobicContact CE1-CB 4.17Å; Y146-N150 VanDerWaalsContact O-CB 3.26Å; Y146-N150 WeakPolarHBondContact O-CB 3.46Å; Y146-N150 PolarHBondContact O-N 3.3Å; Y146-N150 PolarHBondContact O-ND2 3.42Å
147L90.1Very high88.1Confident0 Ų050.3 Ų50.30%024%0.242CC..Hα-helixtrans-69.5-27.8176.9-76.9168.5000113.5V53 L73 F74 V77 I143 V144 L145 S151 Y154 Y155 L161V53-L147 HydrophobicContact CG1-CD1 4.35Å; L73-L147 HydrophobicContact CD1-CD2 3.95Å; L73-L147 HydrophobicContact CD2-CD1 4.08Å; L73-L147 HydrophobicContact CD2-CD2 4.25Å; L73-L147 HydrophobicContact CG-CD2 4.29Å; F74-L147 HydrophobicContact CE1-CD1 4.09Å; V77-L147 HydrophobicContact CG2-CD2 3.69Å; V77-L147 HydrophobicContact CG2-CG 4.27Å; I143-L147 HydrophobicContact CG2-CD1 4.2Å; I143-L147 VanDerWaalsContact O-CG 3.31Å; I143-L147 WeakPolarHBondContact O-CG 3.43Å; I143-L147 PolarHBondContact O-N 2.97Å; I143-L147 VanDerWaalsContact O-N 3.08Å; V144-L147 WeakPolarHBondContact O-CB 3.26Å; V144-L147 PolarHBondContact O-N 3.06Å; V144-L147 VanDerWaalsContact O-N 3.13Å; L145-L147 PolarHBondContact O-N 2.97Å; L147-S151 WeakPolarHBondContact O-CA 3.31Å; L147-S151 VanDerWaalsContact O-CB 3.3Å; L147-S151 WeakPolarHBondContact O-CB 3.4Å; L147-S151 PolarHBondContact O-N 3.01Å; L147-Y154 HydrophobicContact CD2-CD2 4.1Å; L147-Y154 HydrophobicContact CD2-CE2 4.49Å; L147-Y154 HydrophobicContact CD2-CG 4.22Å; L147-Y155 HydrophobicContact CB-CE2 4.32Å; L147-Y155 HydrophobicContact CD2-CE2 4.06Å; L147-L161 HydrophobicContact CB-CD1 4.44Å
148V88.2Confident88Confident18 Ų1850.4 Ų50.411%0.10924%0.243CC..Hα-helixtrans-71.4-50.4170.5175.50000110.3V144 L145 N150 S151 L161 G167 P168 A171V144-V148 WeakPolarHBondContact O-CG2 3.29Å; V144-V148 PolarHBondContact O-N 3.49Å; L145-V148 WeakPolarHBondContact O-CB 3.41Å; L145-V148 PolarHBondContact O-N 2.86Å; V148-N150 VanDerWaalsContact C-N 3.3Å; V148-N150 PolarHBondContact O-N 3.31Å; V148-S151 WeakPolarHBondContact O-CB 3.5Å; V148-S151 PolarHBondContact O-N 3.06Å; V148-S151 PolarHBondContact O-OG 2.92Å; V148-L161 HydrophobicContact CG2-CD2 3.5Å; V148-G167 WeakPolarHBondContact CG2-O 3.16Å; V148-P168 HydrophobicContact CG1-CG 4Å; V148-A171 HydrophobicContact CG2-CB 4.48Å
149E86.6Confident88Confident137 Ų13747.1 Ų47.164%0.6423%0.228SC*.Hα-helixtrans-61.3-38.1-179.8-66.7-178.7154.900112.6L145 Y146L145-E149 PolarHBondContact O-N 3.05Å; Y146-E149 PolarHBondContact O-N 3.22Å
150N89.6Confident87.9Confident24 Ų2446.2 Ų46.213%0.12822%0.223CC..THydrogen-bonded Turntrans-98.510.7-179.2-67.6-90.1000113.2Y146 V148 S152 K153 Y154Y146-N150 HydrophobicContact CD1-CB 4.42Å; Y146-N150 HydrophobicContact CE1-CB 4.17Å; Y146-N150 VanDerWaalsContact O-CB 3.26Å; Y146-N150 WeakPolarHBondContact O-CB 3.46Å; Y146-N150 PolarHBondContact O-N 3.3Å; Y146-N150 PolarHBondContact O-ND2 3.42Å; V148-N150 VanDerWaalsContact C-N 3.3Å; V148-N150 PolarHBondContact O-N 3.31Å; N150-S152 VanDerWaalsContact C-N 3.29Å; N150-S152 PolarHBondContact O-N 3.49Å; N150-S152 VanDerWaalsContact O-N 3.1Å; N150-K153 HydrophobicContact CB-CD 4.21Å; N150-K153 WeakPolarHBondContact O-CB 3.27Å; N150-K153 PolarHBondContact O-N 3.14Å; N150-K153 WeakPolarHBondContact OD1-CE 3.45Å; N150-K153 PolarHBondContact OD1-NZ 2.71Å; N150-Y154 HydrophobicContact CB-CD2 4.29Å; N150-Y154 HydrophobicContact CB-CE2 3.88Å; N150-Y154 WeakPolarHBondContact O-CD2 3.4Å
151S87.4Confident87.7Confident16 Ų1646.2 Ų46.211%0.11222%0.223CC..Hα-helixtrans-48.1-44.7-168.351.30000114.3L147 V148 K153 Y154 Y155 L161 M162L147-S151 WeakPolarHBondContact O-CA 3.31Å; L147-S151 VanDerWaalsContact O-CB 3.3Å; L147-S151 WeakPolarHBondContact O-CB 3.4Å; L147-S151 PolarHBondContact O-N 3.01Å; V148-S151 WeakPolarHBondContact O-CB 3.5Å; V148-S151 PolarHBondContact O-N 3.06Å; V148-S151 PolarHBondContact O-OG 2.92Å; S151-K153 PolarHBondContact O-N 3.34Å; S151-Y154 PolarHBondContact O-N 2.63Å; S151-Y155 PolarHBondContact O-N 3.08Å; S151-L161 WeakPolarHBondContact CB-O 3.4Å; S151-L161 PolarHBondContact OG-O 3.5Å; S151-M162 VanDerWaalsContact CB-SD 3.58Å; S151-M162 PolarHBondContact OG-SD 3.22Å
152S86Confident87.7Confident78 Ų7847.7 Ų47.755%0.54523%0.23SC..Hα-helixtrans-53.3-27177.963.90000114.8K58 N150 M162K58-S152 PolarHBondContact NZ-O 3.07Å; N150-S152 VanDerWaalsContact C-N 3.29Å; N150-S152 PolarHBondContact O-N 3.49Å; N150-S152 VanDerWaalsContact O-N 3.1Å; S152-M162 PolarHBondContact N-SD 2.91Å; S152-M162 VanDerWaalsContact N-SD 3.38Å
153K86.1Confident87.6Confident127 Ų12744.4 Ų44.455%0.55222%0.217SC*.Hα-helixtrans-76.1-31176.6-57.7175.6-173.3166.90112.6N150 S151N150-K153 HydrophobicContact CB-CD 4.21Å; N150-K153 WeakPolarHBondContact O-CB 3.27Å; N150-K153 PolarHBondContact O-N 3.14Å; N150-K153 WeakPolarHBondContact OD1-CE 3.45Å; N150-K153 PolarHBondContact OD1-NZ 2.71Å; S151-K153 PolarHBondContact O-N 3.34Å
154Y85.5Confident86.9Confident11 Ų1149.8 Ų49.84%0.04325%0.252CS..Hα-helixtrans-113.1-26.7-168.9-56.6-85.6000114.3K58 A61 L73 K76 V77 L147 N150 S151K58-Y154 WeakPolarHBondContact CB-O 3.4Å; K58-Y154 WeakPolarHBondContact CG-O 3.37Å; K58-Y154 PolarHBondContact N-O 3.39Å; A61-Y154 HydrophobicContact CB-CD1 4.14Å; L73-Y154 HydrophobicContact CD1-CD1 3.62Å; L73-Y154 HydrophobicContact CD1-CE1 4.23Å; L73-Y154 HydrophobicContact CD1-CG 4.18Å; K76-Y154 HydrophobicContact CD-CE1 4.14Å; K76-Y154 HydrophobicContact CG-CE1 4.2Å; V77-Y154 HydrophobicContact CG2-CE1 4.3Å; L147-Y154 HydrophobicContact CD2-CD2 4.1Å; L147-Y154 HydrophobicContact CD2-CE2 4.49Å; L147-Y154 HydrophobicContact CD2-CG 4.22Å; N150-Y154 HydrophobicContact CB-CD2 4.29Å; N150-Y154 HydrophobicContact CB-CE2 3.88Å; N150-Y154 WeakPolarHBondContact O-CD2 3.4Å; S151-Y154 PolarHBondContact O-N 2.63Å
155Y90.8Very high86.1Confident1 Ų153.9 Ų53.90%0.00428%0.277CS..BIsolated β-bridgetrans-120.6150.8-167.6-67.6-77.8000115V53 G56 L57 K58 L73 L147 S151 A159 L161V53-Y155 VanDerWaalsContact O-CE1 3.3Å; V53-Y155 WeakPolarHBondContact O-CE1 3.06Å; V53-Y155 PolarHBondContact O-OH 3.1Å; G56-Y155 WeakPolarHBondContact O-CA 3.46Å; L57-Y155 HydrophobicContact CB-CD1 4.27Å; L57-Y155 HydrophobicContact CB-CE1 3.94Å; L57-Y155 HydrophobicContact CD1-CD1 4.2Å; L57-Y155 HydrophobicContact CD1-CE1 3.65Å; L57-Y155 HydrophobicContact CG-CE1 4.4Å; K58-Y155 WeakPolarHBondContact CE-O 3.35Å; K58-Y155 PolarHBondContact NZ-O 2.83Å; L73-Y155 WeakPolarHBondContact CD2-OH 3.23Å; L147-Y155 HydrophobicContact CB-CE2 4.32Å; L147-Y155 HydrophobicContact CD2-CE2 4.06Å; S151-Y155 PolarHBondContact O-N 3.08Å; Y155-A159 HydrophobicContact CD1-CB 3.83Å; Y155-A159 HydrophobicContact CG-CB 3.98Å; Y155-L161 HydrophobicContact CD2-CB 4.15Å; Y155-L161 HydrophobicContact CD2-CD1 4.48Å; Y155-L161 HydrophobicContact CE1-CD1 3.94Å; Y155-L161 HydrophobicContact CE2-CB 4.1Å; Y155-L161 HydrophobicContact CE2-CD1 3.66Å; Y155-L161 VanDerWaalsContact OH-CD1 3.27Å; Y155-L161 WeakPolarHBondContact OH-CD1 3.31Å
156E88.7Confident85.7Confident100 Ų10051.9 Ų51.947%0.46727%0.266SS..  trans-81.1156.7171.4-58.9-179.7-175.500109.8G56 K58 E158 A159 M162G56-E156 PolarHBondContact O-N 3.44Å; K58-E156 HydrophobicContact CG-CG 3.53Å; E156-E158 PolarHBondContact O-N 3.06Å; E156-A159 WeakPolarHBondContact O-CB 3.28Å; E156-A159 PolarHBondContact O-N 3.45Å; E156-M162 WeakPolarHBondContact O-CG 3.43Å
157K83.6Confident85.4Confident172 Ų17250.6 Ų50.675%0.74826%0.261SS*.THydrogen-bonded Turntrans-56.3-32.9-163.4-76.2-172.3175.7-173.70114.8A159 M162K157-A159 VanDerWaalsContact C-N 3.29Å; K157-A159 PolarHBondContact O-N 3.21Å; K157-M162 WeakPolarHBondContact O-CB 3.33Å
158E84.1Confident85Confident80 Ų8052 Ų5237%0.37427%0.27SS..THydrogen-bonded Turntrans-862.9-175.8-41.9-42.7132.300113.8H55 E156H55-E158 PolarHBondContact CE1-O 3.03Å; H55-E158 VanDerWaalsContact CE1-O 3.28Å; H55-E158 PolarHBondContact ND1-O 2.73Å; E156-E158 PolarHBondContact O-N 3.06Å
159A88.3Confident84.4Confident0 Ų053.4 Ų53.40%028%0.277CS..  trans-61.9145.217600000112.3H55 Y155 E156 K157 L161 M162 D163H55-A159 WeakPolarHBondContact O-CA 3.4Å; H55-A159 WeakPolarHBondContact O-CB 3.5Å; Y155-A159 HydrophobicContact CD1-CB 3.83Å; Y155-A159 HydrophobicContact CG-CB 3.98Å; E156-A159 WeakPolarHBondContact O-CB 3.28Å; E156-A159 PolarHBondContact O-N 3.45Å; K157-A159 VanDerWaalsContact C-N 3.29Å; K157-A159 PolarHBondContact O-N 3.21Å; A159-L161 PolarHBondContact O-N 3.06Å; A159-M162 HydrophobicContact CB-CB 4.15Å; A159-M162 HydrophobicContact CB-CG 4.02Å; A159-M162 WeakPolarHBondContact O-CB 3.29Å; A159-M162 PolarHBondContact O-N 3.09Å; A159-D163 PolarHBondContact O-N 3.45Å
160I87.3Confident84.3Confident0 Ų046.9 Ų46.90%025%0.246CC..G310 helixtrans-63.9-32.5176.7-167.8171.6000112R11 L14 L15 C52 H55 M162 D163 D166 G167 L170R11-I160 HydrophobicContact CB-CG1 4.47Å; R11-I160 HydrophobicContact CG-CB 4.3Å; L14-I160 HydrophobicContact CB-CD1 4.29Å; L15-I160 HydrophobicContact CB-CD1 4.21Å; C52-I160 HydrophobicContact CB-CG2 4.04Å; C52-I160 WeakPolarHBondContact O-CG2 3.47Å; H55-I160 HydrophobicContact CB-CG2 4.29Å; H55-I160 PolarHBondContact ND1-N 2.77Å; I160-M162 VanDerWaalsContact C-N 3.29Å; I160-M162 PolarHBondContact O-N 3.28Å; I160-D163 PolarHBondContact O-N 2.81Å; I160-D166 HydrophobicContact CD1-CB 4.44Å; I160-D166 HydrophobicContact CG1-CB 3.88Å; I160-G167 WeakPolarHBondContact O-CA 3.46Å; I160-G167 PolarHBondContact O-N 2.85Å; I160-L170 HydrophobicContact CD1-CD2 4.46Å; I160-L170 HydrophobicContact CG2-CD2 4.15Å
161L87.4Confident84Confident0 Ų046 Ų460%024%0.242CC..G310 helixtrans-77.5-9.3176.6-62.6168.6000113.8V53 V144 L147 V148 S151 Y155 A159 L170V53-L161 HydrophobicContact CG2-CD1 4.47Å; V144-L161 HydrophobicContact CG1-CD2 3.96Å; L147-L161 HydrophobicContact CB-CD1 4.44Å; V148-L161 HydrophobicContact CG2-CD2 3.5Å; S151-L161 WeakPolarHBondContact CB-O 3.4Å; S151-L161 PolarHBondContact OG-O 3.5Å; Y155-L161 HydrophobicContact CD2-CB 4.15Å; Y155-L161 HydrophobicContact CD2-CD1 4.48Å; Y155-L161 HydrophobicContact CE1-CD1 3.94Å; Y155-L161 HydrophobicContact CE2-CB 4.1Å; Y155-L161 HydrophobicContact CE2-CD1 3.66Å; Y155-L161 VanDerWaalsContact OH-CD1 3.27Å; Y155-L161 WeakPolarHBondContact OH-CD1 3.31Å; A159-L161 PolarHBondContact O-N 3.06Å; L161-L170 HydrophobicContact CD2-CD2 3.85Å
162M86.2Confident83.6Confident56 Ų5646.3 Ų46.328%0.27625%0.245SC..G310 helixtrans-90.5-17.7170.2-80.7-68.6-43.600112.8S151 S152 E156 K157 A159 I160S151-M162 VanDerWaalsContact CB-SD 3.58Å; S151-M162 PolarHBondContact OG-SD 3.22Å; S152-M162 PolarHBondContact N-SD 2.91Å; S152-M162 VanDerWaalsContact N-SD 3.38Å; E156-M162 WeakPolarHBondContact O-CG 3.43Å; K157-M162 WeakPolarHBondContact O-CB 3.33Å; A159-M162 HydrophobicContact CB-CB 4.15Å; A159-M162 HydrophobicContact CB-CG 4.02Å; A159-M162 WeakPolarHBondContact O-CB 3.29Å; A159-M162 PolarHBondContact O-N 3.09Å; I160-M162 VanDerWaalsContact C-N 3.29Å; I160-M162 PolarHBondContact O-N 3.28Å
163D84.9Confident83.4Confident28 Ų2844.5 Ų44.515%0.1523%0.229CC..SBendtrans-73.7128-177.2-169.1-68.7000110.2R11 A159 I160 V165 D166 G167 P168R11-D163 IonicContact CZ-OD2 3.45Å; R11-D163 IonicContact NE-OD2 3.41Å; R11-D163 PolarHBondContact NE-OD2 3.46Å; R11-D163 VanDerWaalsContact NE-OD2 3.08Å; R11-D163 IonicContact NH2-OD2 2.72Å; R11-D163 PolarHBondContact NH2-OD2 3.22Å; A159-D163 PolarHBondContact O-N 3.45Å; I160-D163 PolarHBondContact O-N 2.81Å; D163-V165 PolarHBondContact O-N 3.03Å; D163-V165 VanDerWaalsContact O-N 3.13Å; D163-V165 PolarHBondContact OD1-N 2.7Å; D163-D166 HydrophobicContact CB-CB 4.07Å; D163-D166 PolarHBondContact OD1-N 3Å; D163-G167 PolarHBondContact O-N 3.18Å; D163-P168 WeakPolarHBondContact O-CD 3.43Å
164P74.5Confident83.4Confident113 Ų11338.5 Ų38.573%0.73420%0.202SC*.THydrogen-bonded Turntrans-69.6-8.8-174.729.8-36.5000113.9
165V76.1Confident83.3Confident87 Ų8741.4 Ų41.453%0.52722%0.221SC..THydrogen-bonded Turntrans-115.5-55.6178.4-179.70000110.6D163 G167 P168 I169D163-V165 PolarHBondContact O-N 3.03Å; D163-V165 VanDerWaalsContact O-N 3.13Å; D163-V165 PolarHBondContact OD1-N 2.7Å; V165-G167 PolarHBondContact O-N 2.74Å; V165-P168 WeakPolarHBondContact O-CD 3.5Å; V165-I169 HydrophobicContact CG1-CD1 3.69Å; V165-I169 WeakPolarHBondContact O-CD1 3.28Å; V165-I169 VanDerWaalsContact O-CG1 3.23Å; V165-I169 WeakPolarHBondContact O-CG1 3.48Å; V165-I169 PolarHBondContact O-N 2.91Å
166D79.4Confident82.6Confident14 Ų1442.1 Ų42.18%0.07523%0.229CC..Hα-helixtrans-68.2-35.2-174.6-75.5-23.1000112.6Q12 L15 I160 D163 I169 L170Q12-D166 PolarHBondContact NE2-OD1 3.33Å; Q12-D166 PolarHBondContact NE2-OD2 3.06Å; L15-D166 HydrophobicContact CD2-CB 4.33Å; L15-D166 WeakPolarHBondContact CD2-OD1 3.25Å; I160-D166 HydrophobicContact CD1-CB 4.44Å; I160-D166 HydrophobicContact CG1-CB 3.88Å; D163-D166 HydrophobicContact CB-CB 4.07Å; D163-D166 PolarHBondContact OD1-N 3Å; D166-I169 PolarHBondContact O-N 3.35Å; D166-L170 WeakPolarHBondContact O-CB 3.36Å; D166-L170 PolarHBondContact O-N 2.95Å
167G83Confident82.4Confident0 Ų037.3 Ų37.30%021%0.206CC..Hα-helixtrans-62.8-55.1178.200000113V148 I160 D163 V165 I169 L170 A171V148-G167 WeakPolarHBondContact CG2-O 3.16Å; I160-G167 WeakPolarHBondContact O-CA 3.46Å; I160-G167 PolarHBondContact O-N 2.85Å; D163-G167 PolarHBondContact O-N 3.18Å; V165-G167 PolarHBondContact O-N 2.74Å; G167-I169 VanDerWaalsContact C-N 3.32Å; G167-I169 PolarHBondContact O-N 3.24Å; G167-L170 WeakPolarHBondContact O-CB 3.44Å; G167-L170 PolarHBondContact O-N 3.11Å; G167-A171 PolarHBondContact O-N 2.97Å; G167-A171 VanDerWaalsContact O-N 3.09Å
168P81.9Confident82.4Confident29 Ų2929.4 Ų29.419%0.18817%0.173CC..Hα-helixtrans-59.1-36.9173.6-2836.1000114.1V148 D163 V165 A171 S172V148-P168 HydrophobicContact CG1-CG 4Å; D163-P168 WeakPolarHBondContact O-CD 3.43Å; V165-P168 WeakPolarHBondContact O-CD 3.5Å; P168-A171 PolarHBondContact O-N 2.84Å; P168-S172 PolarHBondContact O-N 3.39Å; P168-S172 PolarHBondContact O-OG 3.32Å
169I75.7Confident82.1Confident49 Ų4928.4 Ų28.425%0.25118%0.178SC..Hα-helixtrans-64.8-42.2176-67.3167.2000110.7L15 V165 D166 G167 A171 S172 L173L15-I169 HydrophobicContact CD1-CG2 4.19Å; L15-I169 HydrophobicContact CD2-CG2 4.16Å; V165-I169 HydrophobicContact CG1-CD1 3.69Å; V165-I169 WeakPolarHBondContact O-CD1 3.28Å; V165-I169 VanDerWaalsContact O-CG1 3.23Å; V165-I169 WeakPolarHBondContact O-CG1 3.48Å; V165-I169 PolarHBondContact O-N 2.91Å; D166-I169 PolarHBondContact O-N 3.35Å; G167-I169 VanDerWaalsContact C-N 3.32Å; G167-I169 PolarHBondContact O-N 3.24Å; I169-A171 VanDerWaalsContact C-N 3.34Å; I169-A171 PolarHBondContact O-N 2.73Å; I169-S172 PolarHBondContact O-N 3.44Å; I169-L173 HydrophobicContact CG2-CD1 3.98Å; I169-L173 HydrophobicContact CG2-CG 4.38Å; I169-L173 VanDerWaalsContact O-CG 3.31Å; I169-L173 WeakPolarHBondContact O-CG 3.48Å; I169-L173 PolarHBondContact O-N 3.23Å
170L83.4Confident81.6Confident0 Ų029.9 Ų29.90%019%0.186CC..Hα-helixtrans-58.6-44.5174.4174.361.2000111.6L15 V18 C52 V144 I160 L161 D166 G167 L173 L174L15-L170 HydrophobicContact CD1-CB 4.21Å; V18-L170 HydrophobicContact CB-CD1 4.27Å; V18-L170 HydrophobicContact CG1-CD1 3.88Å; V18-L170 HydrophobicContact CG2-CD1 4.04Å; C52-L170 HydrophobicContact CB-CD1 4.41Å; C52-L170 HydrophobicContact CB-CD2 3.53Å; V144-L170 HydrophobicContact CG1-CG 4.46Å; I160-L170 HydrophobicContact CD1-CD2 4.46Å; I160-L170 HydrophobicContact CG2-CD2 4.15Å; L161-L170 HydrophobicContact CD2-CD2 3.85Å; D166-L170 WeakPolarHBondContact O-CB 3.36Å; D166-L170 PolarHBondContact O-N 2.95Å; G167-L170 WeakPolarHBondContact O-CB 3.44Å; G167-L170 PolarHBondContact O-N 3.11Å; L170-L173 PolarHBondContact O-N 3.27Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å
171A83.4Confident81Confident4 Ų437 Ų373%0.03322%0.219CC..Hα-helixtrans-61.5-45.817600000112.2V144 L145 V148 G167 P168 I169 L173 L174V144-A171 HydrophobicContact CG1-CB 4.3Å; L145-A171 HydrophobicContact CB-CB 4.26Å; L145-A171 HydrophobicContact CD1-CB 4.1Å; V148-A171 HydrophobicContact CG2-CB 4.48Å; G167-A171 PolarHBondContact O-N 2.97Å; G167-A171 VanDerWaalsContact O-N 3.09Å; P168-A171 PolarHBondContact O-N 2.84Å; I169-A171 VanDerWaalsContact C-N 3.34Å; I169-A171 PolarHBondContact O-N 2.73Å; A171-L173 VanDerWaalsContact C-N 3.29Å; A171-L173 PolarHBondContact O-N 3.37Å; A171-L174 PolarHBondContact O-N 3.08Å
172S79.6Confident80.7Confident24 Ų2438.5 Ų38.517%0.16823%0.225CC..Hα-helixtrans-59.9-34.2176.5-660000113.7P168 I169 L174P168-S172 PolarHBondContact O-N 3.39Å; P168-S172 PolarHBondContact O-OG 3.32Å; I169-S172 PolarHBondContact O-N 3.44Å; S172-L174 VanDerWaalsContact C-N 3.28Å; S172-L174 PolarHBondContact O-N 3.33Å
173L81.4Confident80.3Confident40 Ų4038.1 Ų38.121%0.20923%0.226CC..Hα-helixtrans-69.9-20.2-179.4-75.9167.1000114L15 K19 V22 I169 L170 A171 P177L15-L173 HydrophobicContact CD1-CD1 3.82Å; K19-L173 HydrophobicContact CD-CD1 4.45Å; K19-L173 HydrophobicContact CG-CD1 3.58Å; K19-L173 HydrophobicContact CG-CD2 4.13Å; V22-L173 HydrophobicContact CG2-CB 4.47Å; I169-L173 HydrophobicContact CG2-CD1 3.98Å; I169-L173 HydrophobicContact CG2-CG 4.38Å; I169-L173 VanDerWaalsContact O-CG 3.31Å; I169-L173 WeakPolarHBondContact O-CG 3.48Å; I169-L173 PolarHBondContact O-N 3.23Å; L170-L173 PolarHBondContact O-N 3.27Å; A171-L173 VanDerWaalsContact C-N 3.29Å; A171-L173 PolarHBondContact O-N 3.37Å; L173-P177 WeakPolarHBondContact O-CD 3.26Å
174L86.1Confident79.3Confident0 Ų044.4 Ų44.40%025%0.252CS..Hα-helixtrans-84.1-19.3-178.4-59.7174.2000113.2F45 V49 L140 D141 V144 L170 A171 S172 G176 P177 C178F45-L174 HydrophobicContact CE2-CD2 3.81Å; F45-L174 HydrophobicContact CZ-CD2 3.53Å; V49-L174 HydrophobicContact CG1-CD1 4.39Å; V49-L174 HydrophobicContact CG1-CD2 4.27Å; V49-L174 HydrophobicContact CG2-CD2 3.55Å; L140-L174 HydrophobicContact CG-CD1 4.45Å; D141-L174 HydrophobicContact CB-CB 4.1Å; V144-L174 HydrophobicContact CB-CD1 3.69Å; V144-L174 HydrophobicContact CG1-CD1 3.78Å; V144-L174 HydrophobicContact CG2-CD1 3.64Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; A171-L174 PolarHBondContact O-N 3.08Å; S172-L174 VanDerWaalsContact C-N 3.28Å; S172-L174 PolarHBondContact O-N 3.33Å; L174-G176 VanDerWaalsContact C-N 3.3Å; L174-G176 PolarHBondContact O-N 2.89Å; L174-P177 WeakPolarHBondContact O-CD 3.46Å; L174-C178 WeakPolarHBondContact O-CB 3.32Å; L174-C178 PolarHBondContact O-N 2.95Å; L174-C178 PolarHBondContact O-SG 3.2Å; L174-C178 VanDerWaalsContact O-SG 3.42Å
175V82.9Confident78.1Confident72 Ų7246 Ų4644%0.43625%0.251SS..Hα-helixtrans-59-40.2-177.2-178.90000111.8D141 C178 A179D141-V175 HydrophobicContact CB-CG2 4.41Å; V175-C178 PolarHBondContact O-N 3.26Å; V175-A179 PolarHBondContact O-N 2.68Å; V175-A179 VanDerWaalsContact O-N 3.09Å
176G76.4Confident76.7Confident16 Ų1649 Ų4917%0.16526%0.257CS..Hα-helixtrans-60.3-62.7177.200000112.5L174 C178 A179L174-G176 VanDerWaalsContact C-N 3.3Å; L174-G176 PolarHBondContact O-N 2.89Å; G176-C178 VanDerWaalsContact C-N 3.26Å; G176-C178 PolarHBondContact O-N 3.27Å; G176-A179 WeakPolarHBondContact O-CB 3.47Å; G176-A179 PolarHBondContact O-N 2.61Å
177P84.9Confident74.8Confident0 Ų051.5 Ų51.50%027%0.273CS..Hα-helixtrans-56.6-34.6175.7-28.436.1000114.2V22 M26 F45 L135 L173 L174 A179 L180 Y182V22-P177 HydrophobicContact CG1-CG 4.24Å; V22-P177 HydrophobicContact CG2-CG 4.15Å; M26-P177 HydrophobicContact SD-CG 4.49Å; F45-P177 HydrophobicContact CE1-CB 3.97Å; F45-P177 HydrophobicContact CE1-CG 4.47Å; F45-P177 HydrophobicContact CE2-CB 4.41Å; F45-P177 HydrophobicContact CE2-CG 4.03Å; F45-P177 HydrophobicContact CZ-CB 3.71Å; F45-P177 HydrophobicContact CZ-CG 3.81Å; L135-P177 HydrophobicContact CD1-CB 3.95Å; L173-P177 WeakPolarHBondContact O-CD 3.26Å; L174-P177 WeakPolarHBondContact O-CD 3.46Å; P177-A179 VanDerWaalsContact C-N 3.29Å; P177-A179 PolarHBondContact O-N 3.43Å; P177-L180 PolarHBondContact O-N 3.31Å; P177-Y182 PolarHBondContact O-OH 3.49Å
178C83.6Confident72.5Confident6 Ų656.2 Ų56.24%0.04131%0.312CS..Hα-helixtrans-72.9-14.7176.2-73.80000114.6K138 D141 L174 V175 G176K138-C178 WeakPolarHBondContact CB-O 3.31Å; K138-C178 WeakPolarHBondContact CD-O 3.39Å; K138-C178 WeakPolarHBondContact CG-O 3.36Å; D141-C178 HydrophobicContact CB-CB 4.13Å; L174-C178 WeakPolarHBondContact O-CB 3.32Å; L174-C178 PolarHBondContact O-N 2.95Å; L174-C178 PolarHBondContact O-SG 3.2Å; L174-C178 VanDerWaalsContact O-SG 3.42Å; V175-C178 PolarHBondContact O-N 3.26Å; G176-C178 VanDerWaalsContact C-N 3.26Å; G176-C178 PolarHBondContact O-N 3.27Å
179A78.3Confident70.3Confident59 Ų5960.6 Ų60.649%0.48833%0.334SS..Hα-helixtrans-80.9-29.7173.200000112.5K138 V175 G176 P177K138-A179 PolarHBondContact NZ-O 2.83Å; V175-A179 PolarHBondContact O-N 2.68Å; V175-A179 VanDerWaalsContact O-N 3.09Å; G176-A179 WeakPolarHBondContact O-CB 3.47Å; G176-A179 PolarHBondContact O-N 2.61Å; P177-A179 VanDerWaalsContact C-N 3.29Å; P177-A179 PolarHBondContact O-N 3.43Å
180L76.6Confident68.7Low30 Ų3064.2 Ų64.216%0.15735%0.349CS..SBendtrans-59.9161.3-173.3-64.2-178.8000114.1I25 M26 A29 V35 K138 P177 Y182I25-L180 HydrophobicContact CG2-CD1 3.55Å; M26-L180 HydrophobicContact CE-CD2 3.99Å; M26-L180 HydrophobicContact SD-CD1 3.97Å; M26-L180 HydrophobicContact SD-CD2 4.36Å; M26-L180 HydrophobicContact SD-CG 4.27Å; A29-L180 HydrophobicContact CB-CD1 3.86Å; A29-L180 HydrophobicContact CB-CD2 3.71Å; A29-L180 HydrophobicContact CB-CG 4.45Å; V35-L180 HydrophobicContact CG2-CD1 4.29Å; K138-L180 WeakPolarHBondContact CE-O 3.29Å; K138-L180 PolarHBondContact NZ-O 2.84Å; K138-L180 VanDerWaalsContact NZ-O 3.15Å; P177-L180 PolarHBondContact O-N 3.31Å; L180-Y182 HydrophobicContact CB-CE2 3.97Å
181E75.6Confident66.4Low150 Ų15073 Ų7370%0.70139%0.388SS*.  trans-107.5135.5171.4-50.4-146.4135.200110.2K138K138-E181 IonicContact NZ-OE1 3.3Å
182Y81.6Confident63.9Low32 Ų3284.1 Ų84.113%0.12543%0.429CS..EExtended strand (participates in β ladder)trans-119.9130.8-172.6-64.6-77.6000110.4V35 I42 L135 F136 P177 L180V35-Y182 HydrophobicContact CB-CD1 3.87Å; V35-Y182 HydrophobicContact CB-CE1 3.94Å; V35-Y182 HydrophobicContact CG1-CD1 4.19Å; V35-Y182 HydrophobicContact CG1-CE1 4.08Å; V35-Y182 WeakPolarHBondContact O-CA 3.31Å; I42-Y182 HydrophobicContact CD1-CD1 3.48Å; I42-Y182 VanDerWaalsContact CD1-CD1 3.48Å; I42-Y182 HydrophobicContact CD1-CE1 3.53Å; I42-Y182 HydrophobicContact CG1-CD1 4.4Å; I42-Y182 HydrophobicContact CG1-CE1 3.96Å; L135-Y182 HydrophobicContact CD1-CE2 4.18Å; L135-Y182 HydrophobicContact CD2-CE2 4.27Å; L135-Y182 HydrophobicContact CG-CE2 3.9Å; F136-Y182 HydrophobicContact CD1-CD1 4.39Å; F136-Y182 AromaticContact CD1-CD2 3.48Å; F136-Y182 HydrophobicContact CD1-CD2 3.48Å; F136-Y182 VanDerWaalsContact CD1-CD2 3.48Å; F136-Y182 HydrophobicContact CD1-CE2 4.01Å; F136-Y182 AromaticContact CD1-CG 3.68Å; F136-Y182 HydrophobicContact CD1-CG 3.68Å; F136-Y182 AromaticContact CE1-CD1 3.92Å; F136-Y182 HydrophobicContact CE1-CD1 3.92Å; F136-Y182 AromaticContact CE1-CD2 3.86Å; F136-Y182 HydrophobicContact CE1-CD2 3.86Å; F136-Y182 HydrophobicContact CE1-CE1 4.37Å; F136-Y182 HydrophobicContact CE1-CE2 4.3Å; F136-Y182 AromaticContact CE1-CG 3.63Å; F136-Y182 HydrophobicContact CE1-CG 3.63Å; P177-Y182 PolarHBondContact O-OH 3.49Å; L180-Y182 HydrophobicContact CB-CE2 3.97Å
183T76.2Confident61.7Low47 Ų4789.3 Ų89.329%0.28846%0.46SS..EExtended strand (participates in β ladder)trans-111.6146-171.164.20000112.9F34 V35 H36 E37F34-T183 HydrophobicContact CB-CG2 4.28Å; F34-T183 HydrophobicContact CD2-CG2 4.38Å; F34-T183 VanDerWaalsContact CD2-OG1 3.27Å; F34-T183 WeakPolarHBondContact CD2-OG1 3.12Å; V35-T183 PolarHBondContact O-N 2.95Å; V35-T183 VanDerWaalsContact O-N 3.08Å; H36-T183 PolarHBondContact CD2-O 3.4Å; H36-T183 VanDerWaalsContact CD2-O 3.27Å; E37-T183 PolarHBondContact N-O 3.5Å
184K63.8Low59.3Low161 Ų16193.5 Ų93.570%0.748%0.483SS*.  trans-100.9-0.2-178.6-66.2178.6-175.11720114.3E37 K186E37-K184 VanDerWaalsContact CD-CG 3.46Å; E37-K184 HydrophobicContact CG-CG 4.12Å; E37-K184 WeakPolarHBondContact OE1-CE 3.33Å; E37-K184 WeakPolarHBondContact OE1-CG 3.35Å; E37-K184 IonicContact OE1-NZ 2.7Å; E37-K184 WeakPolarHBondContact OE2-CE 3.43Å; K184-K186 PolarHBondContact O-N 3.25Å
185M50Low56.9Low145 Ų14596.9 Ų96.971%0.71450%0.504SS*.  trans-80.9103-178.4-94.1178.6156.400110.8H36 T187H36-M185 PolarHBondContact CD2-O 3.14Å; M185-T187 VanDerWaalsContact C-N 3.34Å; M185-T187 PolarHBondContact O-N 3.18Å
186K47.6Very low54.7Low150 Ų15097.1 Ų97.165%0.65251%0.509SS*.  trans-83.382.8151.2-73.8-178.1177.9155.60109D38 K184D38-K186 WeakPolarHBondContact OD2-CE 3.48Å; D38-K186 IonicContact OD2-NZ 3.98Å; D38-K186 PolarHBondContact OD2-NZ 3.08Å; K184-K186 PolarHBondContact O-N 3.25Å
187T38.9Very low52.7Low68 Ų6899.7 Ų99.742%0.41753%0.529SS..  trans-68.3149.5151.636.30000108.6M185 D189M185-T187 VanDerWaalsContact C-N 3.34Å; M185-T187 PolarHBondContact O-N 3.18Å; T187-D189 WeakPolarHBondContact CB-OD2 3.38Å
188A34.5Very low50.4Low99 Ų99105.1 Ų105.182%0.81856%0.558SS**SBendtrans-81.8-6.2176.200000111.9H190A188-H190 VanDerWaalsContact C-N 3.3Å; A188-H190 PolarHBondContact O-N 2.95Å
189D36.8Very low48.2Very low120 Ų120108.9 Ų108.964%0.64258%0.575SS**  trans-90.863.7-164.9-39.6-69.7000109.7T187T187-D189 WeakPolarHBondContact CB-OD2 3.38Å
190H40.9Very low46.4Very low126 Ų126110.6 Ų110.658%0.58358%0.575SS**  trans-121.935.4178.4-83.71.8000112.8F34 A188F34-H190 AromaticContact CZ-NE2 3.77Å; A188-H190 VanDerWaalsContact C-N 3.3Å; A188-H190 PolarHBondContact O-N 2.95Å
191F36.2Very low44.6Very low183 Ų183112.2 Ų112.280%0.80359%0.587SS**SBendtrans-120.9136.3146.8-83.1-98.3000107.5
192W29.9Very low42.8Very low239 Ų239111 Ų11191%0.90558%0.581SS**SBendtrans76.4167.5-178.6-46.5109000117.1
193T33.3Very low40.8Very low132 Ų132115.3 Ų115.381%0.8160%0.597SS**  trans-85.3179.8-159.341.40000114.8
194D32Very low39Very low129 Ų129120.2 Ų120.269%0.6962%0.616SS**SBendtrans-42.6131.9174.3-75.3-49.4000112K33K33-D194 IonicContact NZ-OD2 3.2Å
195P33.8Very low37.8Very low70 Ų70121.4 Ų121.446%0.45562%0.616SS.*  trans-70141-176.328.9-35.2000111.5E199P195-E199 HydrophobicContact CB-CB 4.4Å; P195-E199 WeakPolarHBondContact CB-OE2 3.35Å
196S38.4Very low37.2Very low77 Ų77120.6 Ų120.654%0.53861%0.614SS.*  trans-68.8158.9-179.571.50000112.5D198 E199S196-D198 PolarHBondContact O-N 3.14Å; S196-D198 VanDerWaalsContact O-N 3.13Å; S196-E199 PolarHBondContact O-N 2.86Å
197A34.3Very low36.5Very low71 Ų71121.4 Ų121.459%0.58762%0.619SS**Hα-helixtrans-56.4-31.9-177.800000113.4E199 L200 V201A197-E199 PolarHBondContact O-N 3.34Å; A197-L200 PolarHBondContact O-N 3.02Å; A197-V201 WeakPolarHBondContact O-CG2 3.21Å; A197-V201 PolarHBondContact O-N 3.18Å
198D36.2Very low36.2Very low113 Ų113123.1 Ų123.160%0.60463%0.634SS**Hα-helixtrans-66.6-32178.2-75.1-48.2000113.4S196 V201 Q202S196-D198 PolarHBondContact O-N 3.14Å; S196-D198 VanDerWaalsContact O-N 3.13Å; D198-V201 PolarHBondContact O-N 2.92Å; D198-Q202 WeakPolarHBondContact O-CG 3.4Å; D198-Q202 PolarHBondContact O-N 3.42Å
199E36.8Very low36Very low86 Ų86121.4 Ų121.440%0.40263%0.626SS.*Hα-helixtrans-65.1-40171.3-89.7-139.5125.600111.6P195 S196 A197 V201 Q202 R203P195-E199 HydrophobicContact CB-CB 4.4Å; P195-E199 WeakPolarHBondContact CB-OE2 3.35Å; S196-E199 PolarHBondContact O-N 2.86Å; A197-E199 PolarHBondContact O-N 3.34Å; E199-V201 VanDerWaalsContact C-N 3.33Å; E199-Q202 PolarHBondContact O-N 2.96Å; E199-R203 VanDerWaalsContact CD-NH1 3.34Å; E199-R203 WeakPolarHBondContact O-CB 3.18Å; E199-R203 WeakPolarHBondContact O-CG 3.39Å; E199-R203 PolarHBondContact O-N 3.4Å; E199-R203 IonicContact OE1-CZ 2.7Å; E199-R203 IonicContact OE1-NH1 3.92Å; E199-R203 IonicContact OE1-NH2 3.68Å; E199-R203 PolarHBondContact OE1-NH2 2.87Å; E199-R203 IonicContact OE2-CZ 2.82Å; E199-R203 IonicContact OE2-NH1 3.7Å; E199-R203 PolarHBondContact OE2-NH1 3.44Å; E199-R203 IonicContact OE2-NH2 2.9Å; E199-R203 PolarHBondContact OE2-NH2 3.47Å; E199-R203 VanDerWaalsContact OE2-NH2 3.1Å
200L40Very low35.6Very low94 Ų94124.2 Ų124.249%0.49264%0.639SS.*Hα-helixtrans-67.5-35.4177.9-73168.4000111.8A197 H204A197-L200 PolarHBondContact O-N 3.02Å; L200-H204 PolarHBondContact O-N 3.34Å; L200-H204 VanDerWaalsContact O-N 3.09Å; L200-H204 PolarHBondContact O-ND1 2.96Å
201V39.2Very low34.9Very low65 Ų65123.5 Ų123.539%0.39465%0.647SS.*Hα-helixtrans-68.5-40.7172.4171.60000111.4A197 D198 E199 H204 R205A197-V201 WeakPolarHBondContact O-CG2 3.21Å; A197-V201 PolarHBondContact O-N 3.18Å; D198-V201 PolarHBondContact O-N 2.92Å; E199-V201 VanDerWaalsContact C-N 3.33Å; V201-H204 PolarHBondContact O-N 2.88Å; V201-R205 PolarHBondContact O-N 3.12Å
202Q38.6Very low34.5Very low124 Ų124125.4 Ų125.458%0.57965%0.649SS**Hα-helixtrans-65.5-44.2174.3-73.8-171.430.100112.1D198 E199 H204 R205D198-Q202 WeakPolarHBondContact O-CG 3.4Å; D198-Q202 PolarHBondContact O-N 3.42Å; E199-Q202 PolarHBondContact O-N 2.96Å; Q202-H204 VanDerWaalsContact C-N 3.32Å; Q202-H204 PolarHBondContact O-N 3.28Å; Q202-R205 PolarHBondContact O-N 3.13Å; Q202-R205 VanDerWaalsContact O-N 3.15Å
203R39Very low34.4Very low123 Ų123121 Ų12146%0.46464%0.638SS.*Hα-helixtrans-62.4-36176.8-72.9-177.2-179.6107.510.4112.5E199 R205 I206E199-R203 VanDerWaalsContact CD-NH1 3.34Å; E199-R203 WeakPolarHBondContact O-CB 3.18Å; E199-R203 WeakPolarHBondContact O-CG 3.39Å; E199-R203 PolarHBondContact O-N 3.4Å; E199-R203 IonicContact OE1-CZ 2.7Å; E199-R203 IonicContact OE1-NH1 3.92Å; E199-R203 IonicContact OE1-NH2 3.68Å; E199-R203 PolarHBondContact OE1-NH2 2.87Å; E199-R203 IonicContact OE2-CZ 2.82Å; E199-R203 IonicContact OE2-NH1 3.7Å; E199-R203 PolarHBondContact OE2-NH1 3.44Å; E199-R203 IonicContact OE2-NH2 2.9Å; E199-R203 PolarHBondContact OE2-NH2 3.47Å; E199-R203 VanDerWaalsContact OE2-NH2 3.1Å; R203-R205 VanDerWaalsContact C-N 3.34Å; R203-R205 PolarHBondContact O-N 2.8Å; R203-I206 PolarHBondContact O-N 3.15Å
204H39.1Very low33.9Very low150 Ų150121 Ų12169%0.69463%0.634SS**Hα-helixtrans-65.4-32.1174.3-88.285.7000113.9L200 V201 Q202 I206L200-H204 PolarHBondContact O-N 3.34Å; L200-H204 VanDerWaalsContact O-N 3.09Å; L200-H204 PolarHBondContact O-ND1 2.96Å; V201-H204 PolarHBondContact O-N 2.88Å; Q202-H204 VanDerWaalsContact C-N 3.32Å; Q202-H204 PolarHBondContact O-N 3.28Å; H204-I206 PolarHBondContact O-N 3.14Å
205R37.1Very low33.8Very low186 Ų186120.2 Ų120.270%0.70264%0.638SS**Hα-helixtrans-69.4-14.8176.3-73.1177174.2148.41.1114.1V201 Q202 R203V201-R205 PolarHBondContact O-N 3.12Å; Q202-R205 PolarHBondContact O-N 3.13Å; Q202-R205 VanDerWaalsContact O-N 3.15Å; R203-R205 VanDerWaalsContact C-N 3.34Å; R203-R205 PolarHBondContact O-N 2.8Å
206I38.1Very low34.2Very low128 Ų128122.1 Ų122.166%0.65665%0.65SS**Hα-helixtrans-88.8-21.5-174.5-66.8169.5000112.7R203 H204R203-I206 PolarHBondContact O-N 3.15Å; H204-I206 PolarHBondContact O-N 3.14Å
207H34Very low33.6Very low166 Ų166124.6 Ų124.677%0.76966%0.663SS**Hα-helixtrans-103.4-8.1-174.9-74.7-61.9000115.9G209H207-G209 VanDerWaalsContact C-N 3.3Å; H207-G209 PolarHBondContact O-N 3.4Å
208S32.3Very low33.3Very low105 Ų105131 Ų13173%0.73468%0.677SS**SBendtrans-82.764175.460.80000112.5
209G29.7Very low32.8Very low63 Ų63136.9 Ų136.965%0.64969%0.691SS**  trans-170.164.9-171.400000118.9H207H207-G209 VanDerWaalsContact C-N 3.3Å; H207-G209 PolarHBondContact O-N 3.4Å
210I28.3Very low33.6Very low178 Ų178138.4 Ų138.491%0.91371%0.708SS**  trans-162.6141.1140.2-103.5150.4000110
211C27.1Very low32.9Very low111 Ų111138.8 Ų138.875%0.7573%0.725SS**  trans-122.1164.8-178175.30000109.5
212R27.6Very low32.5Very low224 Ų224143.7 Ų143.785%0.84575%0.748SS**  trans98138.8169.4-60.5-169.5178.2-152.9-3.1114.6
213Q28Very low31.9Very low145 Ų145143 Ų14368%0.67876%0.756SS**  cis-154.8179.54-118-75.255.100112
214D23Very low31.7Very low134 Ų134143.6 Ų143.672%0.71777%0.767SS**  trans81.185157.1-56.9-28.7000119.8
215S29.4Very low31.4Very low112 Ų112143.2 Ų143.278%0.78377%0.765SS**  trans-78.7169143.1-48.30000109.7
216P42.8Very low31.1Very low109 Ų109142 Ų14271%0.70877%0.766SS**  -158.8-176.867.442.5-20.2000118.5
217T25.3Very low31.1Very low130 Ų130145.9 Ų145.980%0.79877%0.772SS**  trans73.4135.6165.664.80000117.5
218K27.9Very low31.2Very low205 Ų205145.1 Ų145.189%0.89177%0.768SS**  cis-137.8155.514.5-112.9153.5-174.3174.50112.8
219R26.6Very low31.3Very low237 Ų237144.8 Ų144.889%0.89477%0.766SS**  trans-102.1-175.4166.7-89.1-174.1175.5-176.4-0.7109.4
220P52.7Low31.6Very low117 Ų117146.9 Ų146.976%0.7677%0.77SS**  -136-170.2-5241-25.1000111.7
221A25.7Very low31.7Very low103 Ų103143.4 Ų143.485%0.85176%0.762SS**  trans-164.4146.5141.500000113.4
222L31.2Very low31.8Very low167 Ų167143.2 Ų143.287%0.87476%0.762SS**  trans-105.5160.2179.8-72.7149000112.1
223C25.2Very low32.1Very low111 Ų111140.3 Ų140.375%0.7576%0.76SS**  trans-156.1123.6140.1-94.60000108.7
224I34.3Very low32.2Very low135 Ų135141 Ų14169%0.69277%0.768SS**  74.8120.573.7-72.7174.3000110.7
225Q33.3Very low32.9Very low141 Ų141143.6 Ų143.666%0.65978%0.776SS**  cis-153.3-166.35.9-121.617534.800109.5
226K30.2Very low33.1Very low162 Ų162149.4 Ų149.470%0.70478%0.781SS**  cis-145.8-98.424-153173.4-161.6690116.6
227R39.3Very low32.8Very low208 Ų208150.2 Ų150.279%0.78579%0.786SS**  trans-161.8173.5-161.7-75.6-163.2175.7176.8-2108.9
228H35.5Very low33Very low150 Ų150149.1 Ų149.169%0.69478%0.784SS**  cis-145.3113.828.6-70.8-101.9000115.3
229S33.9Very low33.6Very low99 Ų99145.7 Ų145.769%0.69278%0.782SS**  29.1138.7128.155.10000121.8
230S36.9Very low34.2Very low106 Ų106138.9 Ų138.974%0.74177%0.771SS**  cis-172.5-162.3-449.40000108.3
231S28.9Very low33.8Very low106 Ų106137.4 Ų137.474%0.74176%0.762SS**  cis-171.2165.413.81.60000112.3
232S30.6Very low35.1Very low106 Ų106135.2 Ų135.274%0.74174%0.74SS**  trans112.8135.1150.2-149.90000118.4
233M32.8Very low36Very low164 Ų164129 Ų12981%0.80871%0.713SS**  trans73.3128.3168.9-61.6-56.5164.300123
234D30.7Very low37.3Very low159 Ų159130.6 Ų130.685%0.8570%0.703SS**  trans46.2140.3159.2-79.6-43000124.7
235E37.6Very low38.2Very low188 Ų188129.4 Ų129.488%0.87970%0.695SS**  trans-96.8132.7174.2-71.3-169.1113.400113
236R33.1Very low39.3Very low234 Ų234128.3 Ų128.388%0.88369%0.685SS**  trans-151.9131.2140.6-151.3170.5-65.9179.82.8109.6S238R236-S238 PolarHBondContact O-N 3.42Å
237P37.8Very low40.5Very low127 Ų127120.6 Ų120.683%0.82565%0.652SS**  trans-79.9117.6-168.529.4-34.6000112.9
238S29.1Very low41.4Very low107 Ų107113.2 Ų113.275%0.74863%0.626SS**  trans-96.5125169.145.30000111.2R236R236-S238 PolarHBondContact O-N 3.42Å
239P41Very low42.7Very low132 Ų132109 Ų10986%0.85761%0.613SS**  trans-113.765.8175.739.2-29.6000112.1
240S38.3Very low43.9Very low95 Ų95106.8 Ų106.866%0.66459%0.593SS**  trans-139124.9166.254.60000109
241P45Very low45.2Very low86 Ų86102.3 Ų102.356%0.55856%0.561SS**  trans-61.8144.8165.729.7-33.3000108.3E245P241-E245 HydrophobicContact CB-CB 3.92Å
242S52.8Low46.7Very low57 Ų57103.6 Ų103.640%0.39956%0.555SS.*  trans-57.6153.1172.960.30000110.6R244 E245 Y246S242-R244 PolarHBondContact O-N 2.99Å; S242-R244 VanDerWaalsContact O-N 3.1Å; S242-E245 WeakPolarHBondContact CB-OE2 3.49Å; S242-E245 PolarHBondContact N-OE2 2.92Å; S242-E245 CarbonylContact O-C 3.58Å; S242-E245 WeakPolarHBondContact O-CA 3.25Å; S242-E245 PolarHBondContact O-N 2.9Å; S242-E245 WeakPolarHBondContact OG-CB 3.41Å; S242-E245 VanDerWaalsContact OG-CD 3.3Å; S242-E245 VanDerWaalsContact OG-CG 3.27Å; S242-E245 WeakPolarHBondContact OG-CG 3.39Å; S242-E245 PolarHBondContact OG-N 3.26Å; S242-E245 PolarHBondContact OG-OE2 2.92Å; S242-Y246 PolarHBondContact O-N 2.65Å
243A49.7Very low48.1Very low36 Ų36102.3 Ų102.330%0.29854%0.54SS..Hα-helixtrans-53.3-36.2177.600000111.8Y246 V247 Y308A243-Y246 PolarHBondContact O-N 3.12Å; A243-V247 WeakPolarHBondContact O-CG2 3.46Å; A243-V247 PolarHBondContact O-N 3.42Å; A243-Y308 HydrophobicContact CB-CD1 4.17Å; A243-Y308 HydrophobicContact CB-CE1 3.71Å; A243-Y308 HydrophobicContact CB-CE2 4.33Å
244R51.7Low49.3Very low145 Ų145100.6 Ų100.655%0.54754%0.544SS..Hα-helixtrans-60.6-50.3171.2179.7176.2170163.62.7112.8S242 Y246 V247 E248S242-R244 PolarHBondContact O-N 2.99Å; S242-R244 VanDerWaalsContact O-N 3.1Å; R244-Y246 VanDerWaalsContact C-N 3.26Å; R244-Y246 PolarHBondContact O-N 2.94Å; R244-V247 PolarHBondContact O-N 3.45Å; R244-E248 HydrophobicContact CG-CG 4.36Å; R244-E248 IonicContact CZ-OE1 3.87Å; R244-E248 VanDerWaalsContact CZ-OE1 3.27Å; R244-E248 IonicContact NE-OE1 3.76Å; R244-E248 PolarHBondContact NE-OE1 2.83Å; R244-E248 IonicContact NH2-OE1 2.69Å; R244-E248 PolarHBondContact NH2-OE1 3.25Å; R244-E248 VanDerWaalsContact O-CB 3.25Å; R244-E248 WeakPolarHBondContact O-CB 3.33Å; R244-E248 WeakPolarHBondContact O-CG 3.48Å; R244-E248 PolarHBondContact O-N 2.74Å
245E53.8Low50.9Low110 Ų110103.2 Ų103.251%0.51454%0.542SS..Hα-helixtrans-62.2-33175.5-74.2162.5130.600112.2P241 S242 S249P241-E245 HydrophobicContact CB-CB 3.92Å; S242-E245 WeakPolarHBondContact CB-OE2 3.49Å; S242-E245 PolarHBondContact N-OE2 2.92Å; S242-E245 CarbonylContact O-C 3.58Å; S242-E245 WeakPolarHBondContact O-CA 3.25Å; S242-E245 PolarHBondContact O-N 2.9Å; S242-E245 WeakPolarHBondContact OG-CB 3.41Å; S242-E245 VanDerWaalsContact OG-CD 3.3Å; S242-E245 VanDerWaalsContact OG-CG 3.27Å; S242-E245 WeakPolarHBondContact OG-CG 3.39Å; S242-E245 PolarHBondContact OG-N 3.26Å; S242-E245 PolarHBondContact OG-OE2 2.92Å; E245-S249 VanDerWaalsContact O-CB 3.27Å; E245-S249 WeakPolarHBondContact O-CB 3.3Å; E245-S249 PolarHBondContact O-N 3.41Å
246Y56.4Low52.7Low118 Ų11895.1 Ų95.146%0.46351%0.507SS..Hα-helixtrans-65.2-51.2174.1-179.1-101.8000111.8S242 A243 R244 S249 L250 W314S242-Y246 PolarHBondContact O-N 2.65Å; A243-Y246 PolarHBondContact O-N 3.12Å; R244-Y246 VanDerWaalsContact C-N 3.26Å; R244-Y246 PolarHBondContact O-N 2.94Å; Y246-S249 WeakPolarHBondContact O-CA 3.26Å; Y246-S249 WeakPolarHBondContact O-CB 3.41Å; Y246-S249 PolarHBondContact O-N 2.79Å; Y246-S249 PolarHBondContact O-OG 2.8Å; Y246-L250 HydrophobicContact CD1-CD1 4.34Å; Y246-L250 HydrophobicContact CE1-CD1 3.89Å; Y246-L250 HydrophobicContact CE1-CD2 4.47Å; Y246-L250 HydrophobicContact CE1-CG 4.23Å; Y246-L250 PolarHBondContact O-N 3.19Å; Y246-W314 HydrophobicContact CE1-CH2 4.23Å
247V54.8Low54.9Low0 Ų088.1 Ų88.10%049%0.49CS..Hα-helixtrans-73.3-30.6180-167.80000112A243 R244 S249 L250 H251 T294 L298 M299 W314A243-V247 WeakPolarHBondContact O-CG2 3.46Å; A243-V247 PolarHBondContact O-N 3.42Å; R244-V247 PolarHBondContact O-N 3.45Å; V247-S249 VanDerWaalsContact C-N 3.31Å; V247-S249 PolarHBondContact O-N 3.4Å; V247-L250 HydrophobicContact CG1-CD1 4.4Å; V247-L250 PolarHBondContact O-N 3.02Å; V247-H251 PolarHBondContact O-N 3.09Å; V247-H251 PolarHBondContact O-ND1 3.23Å; V247-T294 HydrophobicContact CG1-CG2 3.88Å; V247-L298 WeakPolarHBondContact CG2-O 3.39Å; V247-M299 HydrophobicContact CB-SD 4.11Å; V247-M299 HydrophobicContact CG1-SD 3.37Å; V247-M299 WeakPolarHBondContact CG1-SD 3.44Å; V247-W314 HydrophobicContact CG2-CH2 3.85Å; V247-W314 HydrophobicContact CG2-CZ2 4.35Å
248E59.5Low57.1Low53 Ų5385.9 Ų85.925%0.24847%0.471CS..Hα-helixtrans-60.8-38.6164.7-76.5-171.4-161.900111R244 H251 Q252 M299R244-E248 HydrophobicContact CG-CG 4.36Å; R244-E248 IonicContact CZ-OE1 3.87Å; R244-E248 VanDerWaalsContact CZ-OE1 3.27Å; R244-E248 IonicContact NE-OE1 3.76Å; R244-E248 PolarHBondContact NE-OE1 2.83Å; R244-E248 IonicContact NH2-OE1 2.69Å; R244-E248 PolarHBondContact NH2-OE1 3.25Å; R244-E248 VanDerWaalsContact O-CB 3.25Å; R244-E248 WeakPolarHBondContact O-CB 3.33Å; R244-E248 WeakPolarHBondContact O-CG 3.48Å; R244-E248 PolarHBondContact O-N 2.74Å; E248-H251 CarbonylContact O-C 3.34Å; E248-H251 VanDerWaalsContact O-C 3.29Å; E248-H251 WeakPolarHBondContact O-CA 3.29Å; E248-H251 WeakPolarHBondContact O-CB 3.37Å; E248-H251 PolarHBondContact O-N 3.13Å; E248-Q252 WeakPolarHBondContact O-CB 3.39Å; E248-Q252 VanDerWaalsContact O-CG 3.27Å; E248-Q252 WeakPolarHBondContact O-CG 3.13Å; E248-Q252 PolarHBondContact O-N 2.88Å; E248-Q252 PolarHBondContact OE2-NE2 3.47Å; E248-M299 HydrophobicContact CG-CE 4.19Å
249S62.3Low59.6Low61 Ų6183 Ų8343%0.42745%0.447SS..Hα-helixtrans-68.1-33.5175.883.90000114E245 Y246 V247 H251 Q252E245-S249 VanDerWaalsContact O-CB 3.27Å; E245-S249 WeakPolarHBondContact O-CB 3.3Å; E245-S249 PolarHBondContact O-N 3.41Å; Y246-S249 WeakPolarHBondContact O-CA 3.26Å; Y246-S249 WeakPolarHBondContact O-CB 3.41Å; Y246-S249 PolarHBondContact O-N 2.79Å; Y246-S249 PolarHBondContact O-OG 2.8Å; V247-S249 VanDerWaalsContact C-N 3.31Å; V247-S249 PolarHBondContact O-N 3.4Å; S249-H251 PolarHBondContact O-N 3.38Å; S249-H251 VanDerWaalsContact O-N 3.1Å; S249-Q252 CarbonylContact O-C 3.51Å; S249-Q252 PolarHBondContact O-N 3.42Å; S249-Q252 VanDerWaalsContact O-N 3.07Å
250L59.8Low61.8Low52 Ų5277 Ų7727%0.27241%0.408SS..Hα-helixtrans-59.5-21.1170.2-66.5177.9000112.4Y246 V247 K292 W314Y246-L250 HydrophobicContact CD1-CD1 4.34Å; Y246-L250 HydrophobicContact CE1-CD1 3.89Å; Y246-L250 HydrophobicContact CE1-CD2 4.47Å; Y246-L250 HydrophobicContact CE1-CG 4.23Å; Y246-L250 PolarHBondContact O-N 3.19Å; V247-L250 HydrophobicContact CG1-CD1 4.4Å; V247-L250 PolarHBondContact O-N 3.02Å; L250-K292 PolarHBondContact O-NZ 3.36Å; L250-W314 HydrophobicContact CD1-CH2 4.23Å; L250-W314 HydrophobicContact CD1-CZ3 4.27Å
251H63.9Low63.9Low13 Ų1374.2 Ų74.26%0.0639%0.394CS..THydrogen-bonded Turntrans-109.2-3.7178.8-66.690.9000113.9V247 E248 S249 Y279 S281 H283 T294V247-H251 PolarHBondContact O-N 3.09Å; V247-H251 PolarHBondContact O-ND1 3.23Å; E248-H251 CarbonylContact O-C 3.34Å; E248-H251 VanDerWaalsContact O-C 3.29Å; E248-H251 WeakPolarHBondContact O-CA 3.29Å; E248-H251 WeakPolarHBondContact O-CB 3.37Å; E248-H251 PolarHBondContact O-N 3.13Å; S249-H251 PolarHBondContact O-N 3.38Å; S249-H251 VanDerWaalsContact O-N 3.1Å; H251-Y279 HydrophobicContact CB-CE1 4.35Å; H251-Y279 AromaticContact CD2-CD1 3.51Å; H251-Y279 AromaticContact CD2-CE1 3.58Å; H251-Y279 AromaticContact NE2-CD1 3.7Å; H251-S281 PolarHBondContact CD2-OG 2.85Å; H251-S281 PolarHBondContact NE2-OG 3.04Å; H251-H283 PolarHBondContact O-CE1 3.23Å; H251-T294 PolarHBondContact CE1-OG1 2.79Å
252Q60.8Low65.8Low133 Ų13372.5 Ų72.562%0.62138%0.377SS*.  trans-125.762-179.2-68179.437.600110.5E248 S249E248-Q252 WeakPolarHBondContact O-CB 3.39Å; E248-Q252 VanDerWaalsContact O-CG 3.27Å; E248-Q252 WeakPolarHBondContact O-CG 3.13Å; E248-Q252 PolarHBondContact O-N 2.88Å; E248-Q252 PolarHBondContact OE2-NE2 3.47Å; S249-Q252 CarbonylContact O-C 3.51Å; S249-Q252 PolarHBondContact O-N 3.42Å; S249-Q252 VanDerWaalsContact O-N 3.07Å
253N59.2Low67.2Low78 Ų7873 Ų7342%0.41738%0.376SS..  trans-84.5114.9175.1-179.8-2.1000110.6R255 A256N253-R255 PolarHBondContact O-N 3.03Å; N253-R255 WeakPolarHBondContact OD1-CB 3.48Å; N253-R255 PolarHBondContact OD1-N 3.18Å; N253-A256 HydrophobicContact CB-CB 4.18Å; N253-A256 PolarHBondContact O-N 3.39Å
254S58Low68.9Low128 Ų12875.5 Ų75.590%0.89538%0.384SS*.THydrogen-bonded Turntrans-65-2.8178.758.80000115.5
255R64.3Low70.6Confident215 Ų21568.6 Ų68.681%0.81136%0.358SS*.THydrogen-bonded Turntrans-107.7-2.1173.6-60.8-178.8175.1179.1-1.7114.2N253N253-R255 PolarHBondContact O-N 3.03Å; N253-R255 WeakPolarHBondContact OD1-CB 3.48Å; N253-R255 PolarHBondContact OD1-N 3.18Å
256A75.9Confident72.4Confident17 Ų1766.4 Ų66.414%0.1435%0.35CS..SBendtrans-128.2140.1179.600000111.1N253 H283 Q284N253-A256 HydrophobicContact CB-CB 4.18Å; N253-A256 PolarHBondContact O-N 3.39Å; A256-H283 HydrophobicContact CB-CB 4.29Å; A256-Q284 CarbonylContact C-O 3.6Å; A256-Q284 WeakPolarHBondContact CA-O 3.48Å
257T79.3Confident74.1Confident87 Ų8761 Ų6153%0.53433%0.329SS..EExtended strand (participates in β ladder)trans-91.6118.5-178.7-57.10000109.6L259 H283 Q284T257-L259 HydrophobicContact CG2-CD2 4.03Å; T257-L259 PolarHBondContact O-N 3.33Å; T257-H283 WeakPolarHBondContact O-CA 3.48Å; T257-Q284 PolarHBondContact N-O 2.8Å; T257-Q284 PolarHBondContact O-N 3.31Å
258L83.6Confident75.5Confident81 Ų8163 Ų6342%0.42434%0.338SS..EExtended strand (participates in β ladder)trans-71.6105.9172.6-179.471.2000109.7F260L258-F260 VanDerWaalsContact CD1-O 3.23Å; L258-F260 WeakPolarHBondContact CD1-O 3.45Å
259L81.8Confident76.1Confident45 Ų4562.1 Ų62.124%0.23634%0.337CS..EExtended strand (participates in β ladder)trans-85.6-32.3179.8-61.7-174.8000112.8T257 L282 Q284 M289 C367T257-L259 HydrophobicContact CG2-CD2 4.03Å; T257-L259 PolarHBondContact O-N 3.33Å; L259-L282 HydrophobicContact CB-CD2 4.05Å; L259-L282 HydrophobicContact CB-CG 4.21Å; L259-L282 HydrophobicContact CD1-CD2 4.29Å; L259-L282 HydrophobicContact CD1-CG 4.49Å; L259-L282 PolarHBondContact N-O 3.01Å; L259-Q284 HydrophobicContact CD1-CB 3.85Å; L259-Q284 HydrophobicContact CD2-CB 4.45Å; L259-Q284 HydrophobicContact CG-CB 4.05Å; L259-M289 HydrophobicContact CD1-SD 3.61Å; L259-C367 HydrophobicContact CB-CB 4.49Å; L259-C367 PolarHBondContact O-SG 2.91Å
260F86.4Confident76.6Confident8 Ų866.2 Ų66.24%0.03534%0.343CS..EExtended strand (participates in β ladder)trans-148141.9178.2-179.4-90.7000109.7L258 K262 L280 S281 L282 F355 Q363 F364 C367L258-F260 VanDerWaalsContact CD1-O 3.23Å; L258-F260 WeakPolarHBondContact CD1-O 3.45Å; F260-K262 HydrophobicContact CD1-CB 4.49Å; F260-K262 HydrophobicContact CE1-CB 3.48Å; F260-K262 VanDerWaalsContact CE1-CB 3.48Å; F260-K262 HydrophobicContact CZ-CB 3.6Å; F260-K262 HydrophobicContact CZ-CG 4.36Å; F260-L280 HydrophobicContact CE1-CD2 4.33Å; F260-S281 CarbonylContact O-C 3.59Å; F260-S281 VanDerWaalsContact O-CA 3.27Å; F260-S281 WeakPolarHBondContact O-CA 3.31Å; F260-L282 HydrophobicContact CB-CB 3.93Å; F260-L282 HydrophobicContact CB-CD2 4.45Å; F260-L282 PolarHBondContact O-N 2.99Å; F260-F355 AromaticContact CE1-CE1 3.89Å; F260-F355 HydrophobicContact CE1-CE1 3.89Å; F260-F355 HydrophobicContact CZ-CD1 4.46Å; F260-F355 AromaticContact CZ-CE1 3.87Å; F260-F355 HydrophobicContact CZ-CE1 3.87Å; F260-Q363 HydrophobicContact CD2-CG 4.2Å; F260-Q363 HydrophobicContact CE2-CB 4.04Å; F260-Q363 HydrophobicContact CE2-CG 3.89Å; F260-F364 HydrophobicContact CD1-CB 4.43Å; F260-F364 AromaticContact CD1-CD2 3.78Å; F260-F364 HydrophobicContact CD1-CD2 3.78Å; F260-F364 HydrophobicContact CD2-CB 4.25Å; F260-F364 HydrophobicContact CE1-CB 4.06Å; F260-F364 HydrophobicContact CE1-CD2 4.01Å; F260-F364 HydrophobicContact CE1-CG 4.45Å; F260-F364 HydrophobicContact CE2-CB 3.87Å; F260-F364 HydrophobicContact CG-CD2 4.12Å; F260-F364 HydrophobicContact CZ-CB 3.76Å; F260-C367 HydrophobicContact CB-CB 3.8Å; F260-C367 HydrophobicContact CD2-CB 4.36Å
261G83.1Confident77Confident36 Ų3671.3 Ų71.337%0.37137%0.37SS..EExtended strand (participates in β ladder)trans-148129.9173.300000110.2L280G261-L280 CarbonylContact C-O 3.11Å; G261-L280 WeakPolarHBondContact CA-O 3.48Å
262K84.5Confident77.3Confident49 Ų4976.6 Ų76.621%0.21340%0.399CS..EExtended strand (participates in β ladder)trans-147123-179.3-178.963.2-171.5-177.30111.5F260 V265 L280 H360F260-K262 HydrophobicContact CD1-CB 4.49Å; F260-K262 HydrophobicContact CE1-CB 3.48Å; F260-K262 VanDerWaalsContact CE1-CB 3.48Å; F260-K262 HydrophobicContact CZ-CB 3.6Å; F260-K262 HydrophobicContact CZ-CG 4.36Å; K262-V265 HydrophobicContact CB-CG2 4.17Å; K262-V265 HydrophobicContact CG-CG2 3.89Å; K262-L280 PolarHBondContact N-O 3.45Å; K262-L280 PolarHBondContact O-N 3.32Å; K262-H360 VanDerWaalsContact CE-CD2 3.47Å; K262-H360 WeakPolarHBondContact CE-CD2 3.2Å; K262-H360 PolarHBondContact NZ-CD2 3.05Å; K262-H360 VanDerWaalsContact NZ-CD2 3.27Å; K262-H360 PolarHBondContact NZ-NE2 3.3Å
263N82.8Confident77.9Confident69 Ų6973 Ų7337%0.36938%0.383SS..EExtended strand (participates in β ladder)trans-82.5156.3171.4-157.1-9.5000111.5Y279 N296N263-Y279 HydrophobicContact CB-CD2 3.88Å; N263-N296 VanDerWaalsContact OD1-CG 3.27Å; N263-N296 PolarHBondContact OD1-ND2 2.89Å; N263-N296 PolarHBondContact OD1-OD1 2.93Å
264N84Confident78.9Confident87 Ų8777.9 Ų77.947%0.46540%0.404SS..EExtended strand (participates in β ladder)trans60.540.4-176.9-56.1-15000112.8G278 N296 P356N264-G278 PolarHBondContact N-O 3.12Å; N264-G278 VanDerWaalsContact N-O 3.11Å; N264-N296 PolarHBondContact OD1-ND2 3.43Å; N264-P356 WeakPolarHBondContact O-CD 3.18Å
265V89.1Confident80.2Confident0 Ų073.3 Ų73.30%037%0.374CS..EExtended strand (participates in β ladder)trans-82.9120.2159.7177.50000106.8K262 G278 L280 W293 L353 F355K262-V265 HydrophobicContact CB-CG2 4.17Å; K262-V265 HydrophobicContact CG-CG2 3.89Å; V265-G278 PolarHBondContact N-O 3.37Å; V265-G278 PolarHBondContact O-N 2.99Å; V265-L280 HydrophobicContact CB-CB 4.02Å; V265-L280 HydrophobicContact CG1-CB 4.35Å; V265-L280 HydrophobicContact CG1-CD2 4.37Å; V265-L280 HydrophobicContact CG2-CB 3.75Å; V265-L280 HydrophobicContact CG2-CD2 4.27Å; V265-W293 PolarHBondContact O-NE1 3.3Å; V265-L353 HydrophobicContact CG1-CB 4.03Å; V265-F355 HydrophobicContact CG2-CD1 3.98Å; V265-F355 HydrophobicContact CG2-CE1 4.2Å
266L91.1Very high81.4Confident65 Ų6563.8 Ų63.834%0.3434%0.338SS..EExtended strand (participates in β ladder)trans-83.8139-178-52.8172.3000110A275 I276 P277 R354L266-A275 HydrophobicContact CB-CB 4.1Å; L266-I276 CarbonylContact C-O 3.44Å; L266-I276 WeakPolarHBondContact CA-O 3.43Å; L266-P277 HydrophobicContact CD2-CB 3.8Å; L266-R354 HydrophobicContact CB-CB 4.23Å; L266-R354 PolarHBondContact N-O 3.41Å; L266-R354 PolarHBondContact O-N 2.89Å
267V91.3Very high81.9Confident4 Ų465 Ų652%0.02435%0.345CS..EExtended strand (participates in β ladder)trans-132.1133.2170.7-179.80000108.7A275 I276 W293 M318 P351 L353V267-A275 CarbonylContact O-C 3.53Å; V267-I276 PolarHBondContact N-O 3.24Å; V267-I276 PolarHBondContact O-N 3.37Å; V267-W293 HydrophobicContact CB-CD2 4.25Å; V267-W293 HydrophobicContact CB-CE3 4.36Å; V267-W293 HydrophobicContact CB-CH2 3.83Å; V267-W293 HydrophobicContact CB-CZ2 3.69Å; V267-W293 HydrophobicContact CB-CZ3 4.15Å; V267-W293 HydrophobicContact CG2-CD2 3.67Å; V267-W293 HydrophobicContact CG2-CE3 4.21Å; V267-W293 HydrophobicContact CG2-CG 4.05Å; V267-W293 HydrophobicContact CG2-CH2 4.26Å; V267-W293 HydrophobicContact CG2-CZ2 3.74Å; V267-W293 HydrophobicContact CG2-CZ3 4.47Å; V267-M318 HydrophobicContact CG1-CE 4.45Å; V267-P351 HydrophobicContact CG1-CB 3.63Å; V267-L353 HydrophobicContact CG2-CD2 3.51Å
268Q84.3Confident82.4Confident42 Ų4260.9 Ų60.920%0.19632%0.32CS..  trans-104108.1177-177.6168.59.100107.9R270 D271 M273 A275Q268-R270 VanDerWaalsContact C-N 3.32Å; Q268-R270 WeakPolarHBondContact CG-O 3.43Å; Q268-R270 PolarHBondContact NE2-O 3.47Å; Q268-R270 PolarHBondContact O-N 2.9Å; Q268-D271 PolarHBondContact NE2-O 2.96Å; Q268-M273 WeakPolarHBondContact CG-O 3.49Å; Q268-M273 PolarHBondContact NE2-O 3.29Å; Q268-M273 VanDerWaalsContact NE2-O 3.09Å; Q268-A275 HydrophobicContact CB-CB 4.19Å
269P72.8Confident82.6Confident35 Ų3559.4 Ų59.423%0.22731%0.309CS..SBendtrans-72.6-25.1-174.2-1933.2000114I276 Y316P269-I276 HydrophobicContact CG-CD1 3.85Å; P269-I276 HydrophobicContact CG-CG1 4.5Å; P269-Y316 HydrophobicContact CB-CD1 3.65Å; P269-Y316 HydrophobicContact CB-CE1 3.89Å; P269-Y316 HydrophobicContact CB-CG 4.25Å; P269-Y316 HydrophobicContact CG-CD1 3.84Å; P269-Y316 HydrophobicContact CG-CD2 4.37Å; P269-Y316 HydrophobicContact CG-CE1 4.25Å; P269-Y316 HydrophobicContact CG-CG 3.92Å
270R72.4Confident83Confident147 Ų14757.3 Ų57.356%0.55530%0.298SS*.SBendtrans-152.6155.9179.8-54.8-179.7-178179.81.7109.6Q268 D272 M273Q268-R270 VanDerWaalsContact C-N 3.32Å; Q268-R270 WeakPolarHBondContact CG-O 3.43Å; Q268-R270 PolarHBondContact NE2-O 3.47Å; Q268-R270 PolarHBondContact O-N 2.9Å; R270-D272 VanDerWaalsContact C-N 3.28Å; R270-D272 WeakPolarHBondContact CB-OD1 3.41Å; R270-D272 WeakPolarHBondContact CD-OD1 3.48Å; R270-D272 PolarHBondContact O-N 2.92Å; R270-M273 HydrophobicContact CB-CG 4.21Å; R270-M273 HydrophobicContact CB-SD 4.45Å; R270-M273 HydrophobicContact CG-SD 4.31Å; R270-M273 PolarHBondContact O-N 2.89Å
271D68.5Low83.1Confident158 Ų15856.9 Ų56.985%0.84530%0.296SS*.THydrogen-bonded Turntrans-69.4-23.6-175-56.4-56.8000113.6Q268Q268-D271 PolarHBondContact NE2-O 2.96Å
272D70Confident83.4Confident125 Ų12555.2 Ų55.267%0.66828%0.278SS*.THydrogen-bonded Turntrans-80.1-9.3174.563.9-43.6000114.3R270R270-D272 VanDerWaalsContact C-N 3.28Å; R270-D272 WeakPolarHBondContact CB-OD1 3.41Å; R270-D272 WeakPolarHBondContact CD-OD1 3.48Å; R270-D272 PolarHBondContact O-N 2.92Å
273M72.6Confident83.5Confident56 Ų5653.1 Ų53.128%0.27627%0.27SS..SBendtrans-107.2146.4-175.1-64.9-171.473.500113Q268 R270 Y316Q268-M273 WeakPolarHBondContact CG-O 3.49Å; Q268-M273 PolarHBondContact NE2-O 3.29Å; Q268-M273 VanDerWaalsContact NE2-O 3.09Å; R270-M273 HydrophobicContact CB-CG 4.21Å; R270-M273 HydrophobicContact CB-SD 4.45Å; R270-M273 HydrophobicContact CG-SD 4.31Å; R270-M273 PolarHBondContact O-N 2.89Å; M273-Y316 HydrophobicContact CE-CE2 4.35Å
274E80.9Confident83.6Confident182 Ų18253 Ų5385%0.8527%0.266SS*.  trans-61.8150169.5-68-164.7155.500112.3I276E274-I276 PolarHBondContact O-N 3.42Å
275A85.9Confident83.4Confident32 Ų3251.6 Ų51.626%0.26426%0.262SS..  trans-74.3108.9-179.100000111.6L266 V267 Q268L266-A275 HydrophobicContact CB-CB 4.1Å; V267-A275 CarbonylContact O-C 3.53Å; Q268-A275 HydrophobicContact CB-CB 4.19Å
276I88.8Confident82.6Confident14 Ų1456 Ų567%0.07230%0.298CS..EExtended strand (participates in β ladder)trans-74.1130.7-173.8-55179.4000110.3L266 V267 P269 E274 W293 P295 Y313 Y316L266-I276 CarbonylContact C-O 3.44Å; L266-I276 WeakPolarHBondContact CA-O 3.43Å; V267-I276 PolarHBondContact N-O 3.24Å; V267-I276 PolarHBondContact O-N 3.37Å; P269-I276 HydrophobicContact CG-CD1 3.85Å; P269-I276 HydrophobicContact CG-CG1 4.5Å; E274-I276 PolarHBondContact O-N 3.42Å; I276-W293 HydrophobicContact CB-CH2 4.14Å; I276-W293 HydrophobicContact CG2-CH2 4.07Å; I276-W293 WeakPolarHBondContact O-CZ2 3.25Å; I276-P295 HydrophobicContact CG2-CB 4.05Å; I276-P295 HydrophobicContact CG2-CG 4.46Å; I276-Y313 HydrophobicContact CD1-CD1 4.39Å; I276-Y313 HydrophobicContact CD1-CE1 4.34Å; I276-Y316 HydrophobicContact CD1-CD2 3.89Å; I276-Y316 HydrophobicContact CD1-CE2 4.29Å
277P87.1Confident81.6Confident43 Ų4359.9 Ų59.928%0.27932%0.319SS..EExtended strand (participates in β ladder)trans-78.6133.2172.830.8-33.5000112.1L266 N296L266-P277 HydrophobicContact CD2-CB 3.8Å; P277-N296 WeakPolarHBondContact O-CB 3.14Å; P277-N296 PolarHBondContact O-N 2.93Å
278G88.8Confident81.1Confident0 Ų063.4 Ų63.40%034%0.337CS..EExtended strand (participates in β ladder)trans-144.7174.9175.900000114.5N264 V265 T294 N296N264-G278 PolarHBondContact N-O 3.12Å; N264-G278 VanDerWaalsContact N-O 3.11Å; V265-G278 PolarHBondContact N-O 3.37Å; V265-G278 PolarHBondContact O-N 2.99Å; G278-T294 CarbonylContact C-O 3.55Å; G278-T294 WeakPolarHBondContact CA-O 3.23Å; G278-N296 WeakPolarHBondContact CA-OD1 3.42Å
279Y87.6Confident81.2Confident50 Ų5062.1 Ų62.120%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-92.7116.7174.6-173.1-108.7000110.1H251 N263 W293 T294 N296H251-Y279 HydrophobicContact CB-CE1 4.35Å; H251-Y279 AromaticContact CD2-CD1 3.51Å; H251-Y279 AromaticContact CD2-CE1 3.58Å; H251-Y279 AromaticContact NE2-CD1 3.7Å; N263-Y279 HydrophobicContact CB-CD2 3.88Å; Y279-W293 WeakPolarHBondContact O-CA 3.05Å; Y279-T294 PolarHBondContact N-O 3.31Å; Y279-T294 PolarHBondContact O-N 3.19Å; Y279-T294 VanDerWaalsContact O-N 3.08Å; Y279-N296 PolarHBondContact N-OD1 3.17Å
280L90.4Very high82.1Confident1 Ų161.8 Ų61.81%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-93.5137.2172.1-171.772.8000109.8F260 G261 K262 V265 L291 K292 W293 L353 F355 F364F260-L280 HydrophobicContact CE1-CD2 4.33Å; G261-L280 CarbonylContact C-O 3.11Å; G261-L280 WeakPolarHBondContact CA-O 3.48Å; K262-L280 PolarHBondContact N-O 3.45Å; K262-L280 PolarHBondContact O-N 3.32Å; V265-L280 HydrophobicContact CB-CB 4.02Å; V265-L280 HydrophobicContact CG1-CB 4.35Å; V265-L280 HydrophobicContact CG1-CD2 4.37Å; V265-L280 HydrophobicContact CG2-CB 3.75Å; V265-L280 HydrophobicContact CG2-CD2 4.27Å; L280-L291 HydrophobicContact CD1-CD1 4.04Å; L280-L291 HydrophobicContact CD1-CD2 4.26Å; L280-L291 HydrophobicContact CD1-CG 4.05Å; L280-L291 HydrophobicContact CG-CD1 4.24Å; L280-K292 CarbonylContact C-O 3.59Å; L280-K292 WeakPolarHBondContact CA-O 3.24Å; L280-W293 HydrophobicContact CD1-CB 3.91Å; L280-W293 HydrophobicContact CD1-CG 4.39Å; L280-L353 HydrophobicContact CD1-CD1 3.97Å; L280-L353 HydrophobicContact CD1-CD2 4.46Å; L280-L353 HydrophobicContact CD2-CD1 4.26Å; L280-F355 HydrophobicContact CD2-CE1 3.69Å; L280-F355 HydrophobicContact CD2-CE2 4.38Å; L280-F355 HydrophobicContact CD2-CZ 3.42Å; L280-F355 VanDerWaalsContact CD2-CZ 3.42Å; L280-F364 HydrophobicContact CD2-CD2 4.42Å; L280-F364 HydrophobicContact CD2-CE2 4.43Å
281S89Confident83Confident0 Ų055 Ų550%030%0.303CS..EExtended strand (participates in β ladder)trans-145.4147.2176.563.80000113.6H251 F260 H283 L291 K292H251-S281 PolarHBondContact CD2-OG 2.85Å; H251-S281 PolarHBondContact NE2-OG 3.04Å; F260-S281 CarbonylContact O-C 3.59Å; F260-S281 VanDerWaalsContact O-CA 3.27Å; F260-S281 WeakPolarHBondContact O-CA 3.31Å; S281-H283 WeakPolarHBondContact CB-NE2 3.27Å; S281-H283 PolarHBondContact OG-CD2 3.34Å; S281-H283 PolarHBondContact OG-NE2 3.02Å; S281-L291 WeakPolarHBondContact O-CA 3.4Å; S281-L291 WeakPolarHBondContact O-CD1 3.45Å; S281-K292 PolarHBondContact N-O 3.2Å; S281-K292 PolarHBondContact O-N 3.35Å
282L89.5Confident84Confident0 Ų049.6 Ų49.60%027%0.272CS..EExtended strand (participates in β ladder)trans-118.9121.7178.7-179.966.1000109.2L259 F260 M289 L291 L322 C367 L368L259-L282 HydrophobicContact CB-CD2 4.05Å; L259-L282 HydrophobicContact CB-CG 4.21Å; L259-L282 HydrophobicContact CD1-CD2 4.29Å; L259-L282 HydrophobicContact CD1-CG 4.49Å; L259-L282 PolarHBondContact N-O 3.01Å; F260-L282 HydrophobicContact CB-CB 3.93Å; F260-L282 HydrophobicContact CB-CD2 4.45Å; F260-L282 PolarHBondContact O-N 2.99Å; L282-M289 HydrophobicContact CD1-CE 4.45Å; L282-M289 HydrophobicContact CD1-CG 3.85Å; L282-M289 HydrophobicContact CD1-SD 3.99Å; L282-M289 HydrophobicContact CD2-SD 4.26Å; L282-M289 HydrophobicContact CG-CG 4.41Å; L282-M289 HydrophobicContact CG-SD 4.18Å; L282-L291 HydrophobicContact CB-CD1 4.25Å; L282-L291 HydrophobicContact CD1-CD1 4.15Å; L282-L322 HydrophobicContact CD1-CD1 3.41Å; L282-L322 VanDerWaalsContact CD1-CD1 3.41Å; L282-C367 HydrophobicContact CD2-CB 4.39Å; L282-L368 HydrophobicContact CD2-CB 4.4Å
283H87.1Confident85.1Confident6 Ų643.8 Ų43.83%0.02824%0.241CC..EExtended strand (participates in β ladder)trans-122.8127.1-174.3-61.2-96000111.5H251 A256 T257 S281 M289 T290H251-H283 PolarHBondContact O-CE1 3.23Å; A256-H283 HydrophobicContact CB-CB 4.29Å; T257-H283 WeakPolarHBondContact O-CA 3.48Å; S281-H283 WeakPolarHBondContact CB-NE2 3.27Å; S281-H283 PolarHBondContact OG-CD2 3.34Å; S281-H283 PolarHBondContact OG-NE2 3.02Å; H283-M289 WeakPolarHBondContact O-CA 3.32Å; H283-M289 WeakPolarHBondContact O-CG 3.32Å; H283-T290 PolarHBondContact N-O 3Å; H283-T290 PolarHBondContact O-N 3.42Å
284Q84.6Confident85.8Confident65 Ų6541.5 Ų41.530%0.30423%0.23SC..EExtended strand (participates in β ladder)trans-103.9117.4174.2-170.3179.326.200110.3A256 T257 L259 M289 G371A256-Q284 CarbonylContact C-O 3.6Å; A256-Q284 WeakPolarHBondContact CA-O 3.48Å; T257-Q284 PolarHBondContact N-O 2.8Å; T257-Q284 PolarHBondContact O-N 3.31Å; L259-Q284 HydrophobicContact CD1-CB 3.85Å; L259-Q284 HydrophobicContact CD2-CB 4.45Å; L259-Q284 HydrophobicContact CG-CB 4.05Å; Q284-M289 HydrophobicContact CB-CG 4.35Å; Q284-M289 HydrophobicContact CB-SD 4.46Å; Q284-G371 PolarHBondContact NE2-O 3.01Å
285T80.8Confident86.1Confident59 Ų5932.9 Ų32.936%0.36219%0.19SC..  trans-97.7171.5166.8-47.80000108.2D287 I288T285-D287 VanDerWaalsContact C-N 3.25Å; T285-D287 PolarHBondContact O-N 2.81Å; T285-D287 VanDerWaalsContact O-N 3.12Å; T285-I288 PolarHBondContact N-O 2.86Å
286A72.2Confident85.9Confident92 Ų9231.9 Ų31.976%0.7618%0.18SC*.SBendtrans-48.5-42.5-174.800000114.6
287D69.3Low85.6Confident146 Ų14634.1 Ų34.178%0.78119%0.19SC*.SBendtrans-120-7.2-173.7-46.9-77.1000114.1T285T285-D287 VanDerWaalsContact C-N 3.25Å; T285-D287 PolarHBondContact O-N 2.81Å; T285-D287 VanDerWaalsContact O-N 3.12Å
288I80.8Confident84.8Confident78 Ų7832 Ų3240%0.418%0.177SC..  trans-142.1137.5-170.1-52.7178.3000110.8T285 T290 N321T285-I288 PolarHBondContact N-O 2.86Å; I288-T290 HydrophobicContact CG2-CG2 3.99Å; I288-N321 WeakPolarHBondContact CG2-OD1 3.41Å
289M86.5Confident83.6Confident15 Ų1533.2 Ų33.27%0.07418%0.183CC..EExtended strand (participates in β ladder)trans-113.5128.1172.1-165.4167.558.700111.7L259 L282 H283 Q284 N321 L322 L368 L372L259-M289 HydrophobicContact CD1-SD 3.61Å; L282-M289 HydrophobicContact CD1-CE 4.45Å; L282-M289 HydrophobicContact CD1-CG 3.85Å; L282-M289 HydrophobicContact CD1-SD 3.99Å; L282-M289 HydrophobicContact CD2-SD 4.26Å; L282-M289 HydrophobicContact CG-CG 4.41Å; L282-M289 HydrophobicContact CG-SD 4.18Å; H283-M289 WeakPolarHBondContact O-CA 3.32Å; H283-M289 WeakPolarHBondContact O-CG 3.32Å; Q284-M289 HydrophobicContact CB-CG 4.35Å; Q284-M289 HydrophobicContact CB-SD 4.46Å; M289-N321 PolarHBondContact O-OD1 2.99Å; M289-L322 HydrophobicContact CE-CD1 3.83Å; M289-L322 HydrophobicContact CG-CD1 4.13Å; M289-L322 PolarHBondContact O-N 2.8Å; M289-L368 HydrophobicContact CE-CD1 3.89Å; M289-L372 HydrophobicContact CE-CD2 3.73Å; M289-L372 HydrophobicContact CE-CG 3.78Å
290T90.4Very high82.3Confident29 Ų2936.2 Ų36.218%0.17820%0.202CC..EExtended strand (participates in β ladder)trans-124.5140.2-172.358.10000112H283 I288 I320H283-T290 PolarHBondContact N-O 3Å; H283-T290 PolarHBondContact O-N 3.42Å; I288-T290 HydrophobicContact CG2-CG2 3.99Å; T290-I320 CarbonylContact C-O 3.59Å; T290-I320 WeakPolarHBondContact CA-O 3.48Å
291L92.1Very high80.6Confident3 Ų337.9 Ų37.92%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-105129.4172.2-17175000108.9L280 S281 L282 T319 I320 L322 L342 L353 F364L280-L291 HydrophobicContact CD1-CD1 4.04Å; L280-L291 HydrophobicContact CD1-CD2 4.26Å; L280-L291 HydrophobicContact CD1-CG 4.05Å; L280-L291 HydrophobicContact CG-CD1 4.24Å; S281-L291 WeakPolarHBondContact O-CA 3.4Å; S281-L291 WeakPolarHBondContact O-CD1 3.45Å; L282-L291 HydrophobicContact CB-CD1 4.25Å; L282-L291 HydrophobicContact CD1-CD1 4.15Å; L291-T319 WeakPolarHBondContact O-CA 3.43Å; L291-I320 HydrophobicContact CB-CB 4.46Å; L291-I320 PolarHBondContact N-O 3.39Å; L291-I320 PolarHBondContact O-N 3.03Å; L291-L322 HydrophobicContact CB-CD1 4.5Å; L291-L322 HydrophobicContact CB-CD2 4.39Å; L291-L322 HydrophobicContact CB-CG 4.43Å; L291-L342 HydrophobicContact CD2-CD1 3.59Å; L291-L353 HydrophobicContact CD2-CD1 4.05Å; L291-F364 HydrophobicContact CD1-CE2 3.57Å; L291-F364 HydrophobicContact CD1-CZ 3.93Å; L291-F364 HydrophobicContact CD2-CZ 4.34Å
292K90.6Very high78.5Confident46 Ų4643.2 Ų43.220%0.226%0.257CS..EExtended strand (participates in β ladder)trans-121.2142.2175.3-57.6-171.4-179.6-174.50111.1L250 L280 S281 M318 T319L250-K292 PolarHBondContact O-NZ 3.36Å; L280-K292 CarbonylContact C-O 3.59Å; L280-K292 WeakPolarHBondContact CA-O 3.24Å; S281-K292 PolarHBondContact N-O 3.2Å; S281-K292 PolarHBondContact O-N 3.35Å; K292-M318 CarbonylContact C-O 3.15Å; K292-M318 VanDerWaalsContact CA-O 3.29Å; K292-M318 WeakPolarHBondContact CA-O 3.3Å; K292-T319 HydrophobicContact CG-CG2 4.22Å
293W91.9Very high76.4Confident2 Ų247.7 Ų47.71%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-131.3136.8167.8-17786.4000110V265 V267 I276 Y279 L280 P295 Y316 M318V265-W293 PolarHBondContact O-NE1 3.3Å; V267-W293 HydrophobicContact CB-CD2 4.25Å; V267-W293 HydrophobicContact CB-CE3 4.36Å; V267-W293 HydrophobicContact CB-CH2 3.83Å; V267-W293 HydrophobicContact CB-CZ2 3.69Å; V267-W293 HydrophobicContact CB-CZ3 4.15Å; V267-W293 HydrophobicContact CG2-CD2 3.67Å; V267-W293 HydrophobicContact CG2-CE3 4.21Å; V267-W293 HydrophobicContact CG2-CG 4.05Å; V267-W293 HydrophobicContact CG2-CH2 4.26Å; V267-W293 HydrophobicContact CG2-CZ2 3.74Å; V267-W293 HydrophobicContact CG2-CZ3 4.47Å; I276-W293 HydrophobicContact CB-CH2 4.14Å; I276-W293 HydrophobicContact CG2-CH2 4.07Å; I276-W293 WeakPolarHBondContact O-CZ2 3.25Å; Y279-W293 WeakPolarHBondContact O-CA 3.05Å; L280-W293 HydrophobicContact CD1-CB 3.91Å; L280-W293 HydrophobicContact CD1-CG 4.39Å; W293-P295 HydrophobicContact CH2-CB 4.33Å; W293-P295 HydrophobicContact CH2-CG 3.73Å; W293-P295 HydrophobicContact CZ3-CG 3.62Å; W293-Y316 VanDerWaalsContact CZ3-O 3.3Å; W293-Y316 WeakPolarHBondContact CZ3-O 3.4Å; W293-M318 HydrophobicContact CB-CB 4.36Å; W293-M318 HydrophobicContact CB-CE 4.26Å; W293-M318 PolarHBondContact N-O 3.24Å; W293-M318 PolarHBondContact O-N 3.01Å
294T87.4Confident74.2Confident9 Ų951.8 Ų51.86%0.05532%0.319CS..EExtended strand (participates in β ladder)trans-140.7129.7-179.2-55.20000110.7V247 H251 G278 Y279 L298V247-T294 HydrophobicContact CG1-CG2 3.88Å; H251-T294 PolarHBondContact CE1-OG1 2.79Å; G278-T294 CarbonylContact C-O 3.55Å; G278-T294 WeakPolarHBondContact CA-O 3.23Å; Y279-T294 PolarHBondContact N-O 3.31Å; Y279-T294 PolarHBondContact O-N 3.19Å; Y279-T294 VanDerWaalsContact O-N 3.08Å; T294-L298 HydrophobicContact CG2-CB 4.04Å; T294-L298 HydrophobicContact CG2-CD1 4Å
295P88Confident72.4Confident0 Ų056.3 Ų56.30%035%0.345CS..EExtended strand (participates in β ladder)trans-53.3142.1177-28.934.5000114.1I276 W293 Q297 L298 M299 Y313I276-P295 HydrophobicContact CG2-CB 4.05Å; I276-P295 HydrophobicContact CG2-CG 4.46Å; W293-P295 HydrophobicContact CH2-CB 4.33Å; W293-P295 HydrophobicContact CH2-CG 3.73Å; W293-P295 HydrophobicContact CZ3-CG 3.62Å; P295-Q297 PolarHBondContact O-N 2.92Å; P295-L298 WeakPolarHBondContact O-CB 3.35Å; P295-L298 PolarHBondContact O-N 2.97Å; P295-M299 PolarHBondContact O-N 2.7Å; P295-Y313 HydrophobicContact CB-CD1 4.39Å
296N81.9Confident70.6Confident11 Ų1161.2 Ų61.26%0.05937%0.368CS..Hα-helixtrans-68.6-21.5179.5-77.2-12.8000113.3N263 N264 P277 G278 Y279 L298 M299 N300N263-N296 VanDerWaalsContact OD1-CG 3.27Å; N263-N296 PolarHBondContact OD1-ND2 2.89Å; N263-N296 PolarHBondContact OD1-OD1 2.93Å; N264-N296 PolarHBondContact OD1-ND2 3.43Å; P277-N296 WeakPolarHBondContact O-CB 3.14Å; P277-N296 PolarHBondContact O-N 2.93Å; G278-N296 WeakPolarHBondContact CA-OD1 3.42Å; Y279-N296 PolarHBondContact N-OD1 3.17Å; N296-L298 PolarHBondContact O-N 3Å; N296-M299 PolarHBondContact O-N 2.83Å; N296-N300 WeakPolarHBondContact O-CB 3.22Å; N296-N300 PolarHBondContact O-N 3.33Å
297Q80.9Confident69.5Low61 Ų6161.4 Ų61.429%0.28536%0.357SS..Hα-helixtrans-55.2-36167.9-67.379.8-5.400111.1P295 Y313P295-Q297 PolarHBondContact O-N 2.92Å; Q297-Y313 HydrophobicContact CB-CD1 4.21Å; Q297-Y313 HydrophobicContact CB-CD2 4.02Å; Q297-Y313 HydrophobicContact CB-CE1 4.39Å; Q297-Y313 HydrophobicContact CB-CE2 4.22Å; Q297-Y313 HydrophobicContact CB-CG 4.02Å; Q297-Y313 HydrophobicContact CG-CD1 4.15Å; Q297-Y313 HydrophobicContact CG-CD2 4.36Å; Q297-Y313 HydrophobicContact CG-CE1 3.86Å; Q297-Y313 HydrophobicContact CG-CE2 4.1Å; Q297-Y313 HydrophobicContact CG-CG 4.39Å
298L70.3Confident68.5Low0 Ų057 Ų570%033%0.329CS..Hα-helixtrans-85.5-16.6176.2-59.6177.9000113.8V247 T294 P295 N296 Y308 W314V247-L298 WeakPolarHBondContact CG2-O 3.39Å; T294-L298 HydrophobicContact CG2-CB 4.04Å; T294-L298 HydrophobicContact CG2-CD1 4Å; P295-L298 WeakPolarHBondContact O-CB 3.35Å; P295-L298 PolarHBondContact O-N 2.97Å; N296-L298 PolarHBondContact O-N 3Å; L298-Y308 VanDerWaalsContact C-OH 3.3Å; L298-Y308 VanDerWaalsContact CA-OH 3.3Å; L298-Y308 WeakPolarHBondContact CA-OH 3.17Å; L298-Y308 HydrophobicContact CD2-CE1 4.25Å; L298-Y308 PolarHBondContact O-OH 3.12Å; L298-W314 HydrophobicContact CD1-CD2 3.58Å; L298-W314 HydrophobicContact CD1-CE3 3.6Å; L298-W314 HydrophobicContact CD1-CG 4.08Å; L298-W314 HydrophobicContact CD1-CH2 4.3Å; L298-W314 HydrophobicContact CD1-CZ2 4.28Å; L298-W314 HydrophobicContact CD1-CZ3 3.97Å; L298-W314 HydrophobicContact CD2-CD2 4.21Å; L298-W314 HydrophobicContact CD2-CG 4.4Å; L298-W314 HydrophobicContact CD2-CZ2 4.25Å
299M63.8Low67.1Low25 Ų2562.4 Ų62.412%0.12335%0.353CS..Hα-helixtrans-84.8-36.9176-65.6-63.1-5200112.8V247 E248 P295 N296V247-M299 HydrophobicContact CB-SD 4.11Å; V247-M299 HydrophobicContact CG1-SD 3.37Å; V247-M299 WeakPolarHBondContact CG1-SD 3.44Å; E248-M299 HydrophobicContact CG-CE 4.19Å; P295-M299 PolarHBondContact O-N 2.7Å; N296-M299 PolarHBondContact O-N 2.83Å
300N60.6Low65.4Low112 Ų11271 Ų7160%0.59939%0.385SS*.SBendtrans-87.7-13-164.7-72.3-12.9000114.6N296 S302N296-N300 WeakPolarHBondContact O-CB 3.22Å; N296-N300 PolarHBondContact O-N 3.33Å; N300-S302 PolarHBondContact O-N 3.24Å
301G56Low64.1Low37 Ų3770.9 Ų70.938%0.38139%0.385SS..  trans59.817.9171.700000116.1
302S43.4Very low63Low112 Ų11274.7 Ų74.778%0.78341%0.408SS*.  trans-95.75.5-172.9-170.50000114.1N300N300-S302 PolarHBondContact O-N 3.24Å
303V46.1Very low62.3Low93 Ų9376.8 Ų76.856%0.56442%0.415SS*.SBendtrans-80.8124.5166.5-1760000106.7
304A41.6Very low61.6Low92 Ų9280.2 Ų80.276%0.7643%0.428SS*.PPolyproline II helixtrans-58.9147.6-17800000111.7L306A304-L306 PolarHBondContact O-N 3.13Å
305D46.6Very low61.2Low161 Ų16186.2 Ų86.286%0.86146%0.46SS*.SBendtrans-54.1124.4-177.7-77.9-58.7000112.6
306L42.5Very low60.8Low162 Ų16288.4 Ų88.485%0.84847%0.468SS*.SBend-179.9-26122-94.6161.8000113.7A304A304-L306 PolarHBondContact O-N 3.13Å
307D49.2Very low60.9Low96 Ų9689.6 Ų89.651%0.51348%0.48SS..  trans-115.831.4-173.4-87.9-65.7000114.3E309 R310 S311D307-E309 VanDerWaalsContact C-N 3.3Å; D307-E309 PolarHBondContact O-N 3.26Å; D307-R310 HydrophobicContact CB-CB 4.39Å; D307-R310 WeakPolarHBondContact O-CA 3.38Å; D307-R310 WeakPolarHBondContact O-CB 3.32Å; D307-R310 PolarHBondContact O-N 3.14Å; D307-R310 WeakPolarHBondContact OD1-CD 3.19Å; D307-R310 IonicContact OD1-CZ 2.65Å; D307-R310 IonicContact OD1-NE 2.73Å; D307-R310 IonicContact OD1-NH1 2.7Å; D307-R310 PolarHBondContact OD1-NH1 2.85Å; D307-S311 PolarHBondContact O-N 3.38Å
308Y48.3Very low61.1Low53 Ų5388.2 Ų88.221%0.20847%0.474CS..G310 helixtrans-64.2-27.8-172.4-154.1-94.9000115A243 L298 R310 S311 W314A243-Y308 HydrophobicContact CB-CD1 4.17Å; A243-Y308 HydrophobicContact CB-CE1 3.71Å; A243-Y308 HydrophobicContact CB-CE2 4.33Å; L298-Y308 VanDerWaalsContact C-OH 3.3Å; L298-Y308 VanDerWaalsContact CA-OH 3.3Å; L298-Y308 WeakPolarHBondContact CA-OH 3.17Å; L298-Y308 HydrophobicContact CD2-CE1 4.25Å; L298-Y308 PolarHBondContact O-OH 3.12Å; Y308-R310 PolarHBondContact O-N 3.34Å; Y308-S311 WeakPolarHBondContact O-CB 3.48Å; Y308-S311 PolarHBondContact O-N 3.44Å; Y308-W314 HydrophobicContact CE1-CZ2 4.19Å; Y308-W314 PolarHBondContact O-NE1 3.43Å; Y308-W314 VanDerWaalsContact O-NE1 3.15Å
309E50.8Low62Low192 Ų19292.7 Ų92.790%0.89750%0.501SS*.G310 helixtrans-75-11.2173.1-65.2-171.5149.400113.1D307D307-E309 VanDerWaalsContact C-N 3.3Å; D307-E309 PolarHBondContact O-N 3.26Å
310R50.4Low63.2Low196 Ų19691.7 Ų91.774%0.7450%0.496SS*.G310 helixtrans-104.28.4173.2-80.2160.6158.7-179-5.5113.2D307 Y308 V312D307-R310 HydrophobicContact CB-CB 4.39Å; D307-R310 WeakPolarHBondContact O-CA 3.38Å; D307-R310 WeakPolarHBondContact O-CB 3.32Å; D307-R310 PolarHBondContact O-N 3.14Å; D307-R310 WeakPolarHBondContact OD1-CD 3.19Å; D307-R310 IonicContact OD1-CZ 2.65Å; D307-R310 IonicContact OD1-NE 2.73Å; D307-R310 IonicContact OD1-NH1 2.7Å; D307-R310 PolarHBondContact OD1-NH1 2.85Å; Y308-R310 PolarHBondContact O-N 3.34Å; R310-V312 PolarHBondContact O-N 3.35Å; R310-V312 VanDerWaalsContact O-N 3.09Å
311S63.6Low64.5Low25 Ų2587.9 Ų87.918%0.17548%0.476CS..  trans-63.6110.7178.7-176.40000110.7D307 Y308 Y313 W314D307-S311 PolarHBondContact O-N 3.38Å; Y308-S311 WeakPolarHBondContact O-CB 3.48Å; Y308-S311 PolarHBondContact O-N 3.44Å; S311-Y313 PolarHBondContact O-N 2.93Å; S311-W314 WeakPolarHBondContact O-CB 3.44Å; S311-W314 VanDerWaalsContact O-CD1 3.26Å; S311-W314 PolarHBondContact O-N 3.28Å
312V69.9Low66.1Low84 Ų8486.2 Ų86.251%0.50946%0.458SS..G310 helixtrans-53.2-21.7179.9-176.20000112.7R310 W314 D315 Y316R310-V312 PolarHBondContact O-N 3.35Å; R310-V312 VanDerWaalsContact O-N 3.09Å; V312-W314 PolarHBondContact O-N 2.92Å; V312-D315 WeakPolarHBondContact O-CB 3.5Å; V312-D315 PolarHBondContact O-N 3.03Å; V312-D315 VanDerWaalsContact O-N 3.15Å; V312-Y316 HydrophobicContact CG1-CE2 4.22Å
313Y74.4Confident68.1Low90 Ų9085 Ų8535%0.35344%0.44SS..G310 helixtrans-62.6-18.2173.3-63.1-76.7000114.1I276 P295 Q297 S311 D315 Y316I276-Y313 HydrophobicContact CD1-CD1 4.39Å; I276-Y313 HydrophobicContact CD1-CE1 4.34Å; P295-Y313 HydrophobicContact CB-CD1 4.39Å; Q297-Y313 HydrophobicContact CB-CD1 4.21Å; Q297-Y313 HydrophobicContact CB-CD2 4.02Å; Q297-Y313 HydrophobicContact CB-CE1 4.39Å; Q297-Y313 HydrophobicContact CB-CE2 4.22Å; Q297-Y313 HydrophobicContact CB-CG 4.02Å; Q297-Y313 HydrophobicContact CG-CD1 4.15Å; Q297-Y313 HydrophobicContact CG-CD2 4.36Å; Q297-Y313 HydrophobicContact CG-CE1 3.86Å; Q297-Y313 HydrophobicContact CG-CE2 4.1Å; Q297-Y313 HydrophobicContact CG-CG 4.39Å; S311-Y313 PolarHBondContact O-N 2.93Å; Y313-D315 VanDerWaalsContact C-N 3.34Å; Y313-Y316 HydrophobicContact CD1-CD2 4.39Å; Y313-Y316 PolarHBondContact O-N 3.16Å
314W77.8Confident69.9Low74 Ų7484.4 Ų84.428%0.2843%0.432SS..G310 helixtrans-67.1-33.5172.8-75116.8000112.7Y246 V247 L250 L298 Y308 S311 V312 Y316 A317Y246-W314 HydrophobicContact CE1-CH2 4.23Å; V247-W314 HydrophobicContact CG2-CH2 3.85Å; V247-W314 HydrophobicContact CG2-CZ2 4.35Å; L250-W314 HydrophobicContact CD1-CH2 4.23Å; L250-W314 HydrophobicContact CD1-CZ3 4.27Å; L298-W314 HydrophobicContact CD1-CD2 3.58Å; L298-W314 HydrophobicContact CD1-CE3 3.6Å; L298-W314 HydrophobicContact CD1-CG 4.08Å; L298-W314 HydrophobicContact CD1-CH2 4.3Å; L298-W314 HydrophobicContact CD1-CZ2 4.28Å; L298-W314 HydrophobicContact CD1-CZ3 3.97Å; L298-W314 HydrophobicContact CD2-CD2 4.21Å; L298-W314 HydrophobicContact CD2-CG 4.4Å; L298-W314 HydrophobicContact CD2-CZ2 4.25Å; Y308-W314 HydrophobicContact CE1-CZ2 4.19Å; Y308-W314 PolarHBondContact O-NE1 3.43Å; Y308-W314 VanDerWaalsContact O-NE1 3.15Å; S311-W314 WeakPolarHBondContact O-CB 3.44Å; S311-W314 VanDerWaalsContact O-CD1 3.26Å; S311-W314 PolarHBondContact O-N 3.28Å; V312-W314 PolarHBondContact O-N 2.92Å; W314-Y316 PolarHBondContact O-N 3.26Å; W314-Y316 VanDerWaalsContact O-N 3.15Å; W314-A317 HydrophobicContact CE3-CB 4.32Å; W314-A317 WeakPolarHBondContact O-CB 3.42Å; W314-A317 PolarHBondContact O-N 2.73Å
315D78.3Confident72.2Confident135 Ų13580.2 Ų80.272%0.72240%0.396SS*.G310 helixtrans-65.6-17.7178.4-59.3-38.9000112.5V312 Y313V312-D315 WeakPolarHBondContact O-CB 3.5Å; V312-D315 PolarHBondContact O-N 3.03Å; V312-D315 VanDerWaalsContact O-N 3.15Å; Y313-D315 VanDerWaalsContact C-N 3.34Å
316Y80.4Confident74Confident45 Ų4574.2 Ų74.218%0.17637%0.365CS..G310 helixtrans-98.6-4.4176.5-48.8-46.3000113.5P269 M273 I276 W293 V312 Y313 W314 M318P269-Y316 HydrophobicContact CB-CD1 3.65Å; P269-Y316 HydrophobicContact CB-CE1 3.89Å; P269-Y316 HydrophobicContact CB-CG 4.25Å; P269-Y316 HydrophobicContact CG-CD1 3.84Å; P269-Y316 HydrophobicContact CG-CD2 4.37Å; P269-Y316 HydrophobicContact CG-CE1 4.25Å; P269-Y316 HydrophobicContact CG-CG 3.92Å; M273-Y316 HydrophobicContact CE-CE2 4.35Å; I276-Y316 HydrophobicContact CD1-CD2 3.89Å; I276-Y316 HydrophobicContact CD1-CE2 4.29Å; W293-Y316 VanDerWaalsContact CZ3-O 3.3Å; W293-Y316 WeakPolarHBondContact CZ3-O 3.4Å; V312-Y316 HydrophobicContact CG1-CE2 4.22Å; Y313-Y316 HydrophobicContact CD1-CD2 4.39Å; Y313-Y316 PolarHBondContact O-N 3.16Å; W314-Y316 PolarHBondContact O-N 3.26Å; W314-Y316 VanDerWaalsContact O-N 3.15Å; Y316-M318 PolarHBondContact O-N 2.7Å
317A84Confident76.2Confident36 Ų3671 Ų7130%0.29834%0.343SS..  trans-74.7121.7179.200000110.7W314W314-A317 HydrophobicContact CE3-CB 4.32Å; W314-A317 WeakPolarHBondContact O-CB 3.42Å; W314-A317 PolarHBondContact O-N 2.73Å
318M85.4Confident78.2Confident32 Ų3266.5 Ų66.516%0.15832%0.318CS..EExtended strand (participates in β ladder)trans-102.7137.7-175.2-59.6-160.6-64.500112.1V267 K292 W293 Y316 P351 L353V267-M318 HydrophobicContact CG1-CE 4.45Å; K292-M318 CarbonylContact C-O 3.15Å; K292-M318 VanDerWaalsContact CA-O 3.29Å; K292-M318 WeakPolarHBondContact CA-O 3.3Å; W293-M318 HydrophobicContact CB-CB 4.36Å; W293-M318 HydrophobicContact CB-CE 4.26Å; W293-M318 PolarHBondContact N-O 3.24Å; W293-M318 PolarHBondContact O-N 3.01Å; Y316-M318 PolarHBondContact O-N 2.7Å; M318-P351 HydrophobicContact SD-CG 4.46Å; M318-L353 HydrophobicContact CE-CD2 3.62Å
319T88.9Confident80.2Confident95 Ų9567.4 Ų67.458%0.58332%0.324SS*.EExtended strand (participates in β ladder)trans-130.9128.4160.4-66.40000108.1L291 K292L291-T319 WeakPolarHBondContact O-CA 3.43Å; K292-T319 HydrophobicContact CG-CG2 4.22Å
320I88.8Confident82Confident3 Ų358.3 Ų58.32%0.01528%0.282CS..EExtended strand (participates in β ladder)trans-129.9126.5-172.9-60.8171000108T290 L291 I325 L342 R350T290-I320 CarbonylContact C-O 3.59Å; T290-I320 WeakPolarHBondContact CA-O 3.48Å; L291-I320 HydrophobicContact CB-CB 4.46Å; L291-I320 PolarHBondContact N-O 3.39Å; L291-I320 PolarHBondContact O-N 3.03Å; I320-I325 HydrophobicContact CG2-CD1 3.85Å; I320-I325 HydrophobicContact CG2-CG1 3.79Å; I320-L342 HydrophobicContact CD1-CD1 4.03Å; I320-R350 HydrophobicContact CD1-CG 4.29Å
321N88.9Confident83.7Confident33 Ų3351.4 Ų51.418%0.17626%0.258CS..EExtended strand (participates in β ladder)trans-78.1129.3164.8-177.95.8000108.8I288 M289 E323 E324I288-N321 WeakPolarHBondContact CG2-OD1 3.41Å; M289-N321 PolarHBondContact O-OD1 2.99Å; N321-E323 PolarHBondContact ND2-OE2 3.34Å; N321-E323 PolarHBondContact O-N 3.14Å; N321-E323 PolarHBondContact OD1-N 3.34Å; N321-E324 HydrophobicContact CB-CG 4.19Å; N321-E324 WeakPolarHBondContact CB-OE1 3.47Å; N321-E324 VanDerWaalsContact O-CB 3.32Å; N321-E324 WeakPolarHBondContact O-CB 3.35Å; N321-E324 PolarHBondContact O-N 2.87Å; N321-E324 VanDerWaalsContact O-N 3.09Å
322L88.1Confident84.3Confident1 Ų151.9 Ų51.91%0.00526%0.257CS..G310 helixtrans-75.7-10.9-177.1-71.9167.7000113.7L282 M289 L291 E324 I325 L368L282-L322 HydrophobicContact CD1-CD1 3.41Å; L282-L322 VanDerWaalsContact CD1-CD1 3.41Å; M289-L322 HydrophobicContact CE-CD1 3.83Å; M289-L322 HydrophobicContact CG-CD1 4.13Å; M289-L322 PolarHBondContact O-N 2.8Å; L291-L322 HydrophobicContact CB-CD1 4.5Å; L291-L322 HydrophobicContact CB-CD2 4.39Å; L291-L322 HydrophobicContact CB-CG 4.43Å; L322-E324 PolarHBondContact O-N 3.02Å; L322-I325 HydrophobicContact CD2-CB 4.43Å; L322-I325 HydrophobicContact CD2-CG1 4.11Å; L322-I325 PolarHBondContact O-N 3.3Å; L322-L368 HydrophobicContact CD1-CD1 3.64Å
323E85.4Confident84.2Confident87 Ų8751.6 Ų51.641%0.40725%0.251SS..G310 helixtrans-65.1-27.4165.6-60.4178120.100112.2N321 I325 Q345 F426N321-E323 PolarHBondContact ND2-OE2 3.34Å; N321-E323 PolarHBondContact O-N 3.14Å; N321-E323 PolarHBondContact OD1-N 3.34Å; E323-I325 VanDerWaalsContact C-N 3.25Å; E323-I325 PolarHBondContact O-N 3.26Å; E323-Q345 PolarHBondContact O-NE2 2.79Å; E323-F426 HydrophobicContact CG-CE1 4.39Å; E323-F426 HydrophobicContact CG-CZ 4.2Å
324E84.3Confident83.5Confident81 Ų8151 Ų5138%0.37926%0.256SS..G310 helixtrans-74.1-14.7176.2-62.1168.7-151.800112.7N321 L322 S344 Q345 R350N321-E324 HydrophobicContact CB-CG 4.19Å; N321-E324 WeakPolarHBondContact CB-OE1 3.47Å; N321-E324 VanDerWaalsContact O-CB 3.32Å; N321-E324 WeakPolarHBondContact O-CB 3.35Å; N321-E324 PolarHBondContact O-N 2.87Å; N321-E324 VanDerWaalsContact O-N 3.09Å; L322-E324 PolarHBondContact O-N 3.02Å; E324-S344 CarbonylContact O-C 3.35Å; E324-S344 WeakPolarHBondContact O-CA 3.27Å; E324-S344 VanDerWaalsContact O-CB 3.27Å; E324-S344 WeakPolarHBondContact O-CB 3.18Å; E324-Q345 PolarHBondContact O-N 3.13Å; E324-R350 IonicContact OE2-NH2 2.92Å; E324-R350 PolarHBondContact OE2-NH2 3.24Å
325I89.4Confident82.5Confident3 Ų352.8 Ų52.82%0.01527%0.271CS..EExtended strand (participates in β ladder)trans-99.2126.9-172.5-57.8-53.4000110.7I320 L322 E323 Y327 L342 I424I320-I325 HydrophobicContact CG2-CD1 3.85Å; I320-I325 HydrophobicContact CG2-CG1 3.79Å; L322-I325 HydrophobicContact CD2-CB 4.43Å; L322-I325 HydrophobicContact CD2-CG1 4.11Å; L322-I325 PolarHBondContact O-N 3.3Å; E323-I325 VanDerWaalsContact C-N 3.25Å; E323-I325 PolarHBondContact O-N 3.26Å; I325-Y327 WeakPolarHBondContact CG2-O 3.45Å; I325-L342 HydrophobicContact CD1-CB 4.12Å; I325-L342 HydrophobicContact CG2-CB 4.29Å; I325-L342 HydrophobicContact CG2-CD2 4.42Å; I325-I424 HydrophobicContact CB-CD1 3.94Å; I325-I424 HydrophobicContact CG2-CD1 3.82Å
326V85.2Confident81.7Confident35 Ų3549.5 Ų49.521%0.21226%0.259CS..EExtended strand (participates in β ladder)trans-101.2-38.8178.9-174.70000111.5V343 Q345 R423 I424V326-V343 PolarHBondContact N-O 3.48Å; V326-Q345 HydrophobicContact CG2-CB 4.14Å; V326-Q345 HydrophobicContact CG2-CG 3.57Å; V326-R423 HydrophobicContact CG1-CG 4.42Å; V326-R423 CarbonylContact O-C 3.29Å; V326-R423 VanDerWaalsContact O-CA 3.28Å; V326-R423 WeakPolarHBondContact O-CA 3.4Å; V326-R423 WeakPolarHBondContact O-CG 3.31Å; V326-I424 PolarHBondContact O-N 3.43Å
327Y89.8Confident81.3Confident96 Ų9647.8 Ų47.838%0.37625%0.254SS..EExtended strand (participates in β ladder)trans-130.7148.4-178.4-56.9-79.9000113I325 V343 V421 F422 R423I325-Y327 WeakPolarHBondContact CG2-O 3.45Å; Y327-V343 PolarHBondContact N-O 3.08Å; Y327-V343 PolarHBondContact O-N 3.06Å; Y327-V421 HydrophobicContact CD1-CG1 4.25Å; Y327-F422 CarbonylContact C-O 3.09Å; Y327-F422 VanDerWaalsContact CA-O 3.25Å; Y327-F422 WeakPolarHBondContact CA-O 3.11Å; Y327-R423 HydrophobicContact CD1-CB 3.98Å; Y327-R423 HydrophobicContact CD1-CG 4.19Å; Y327-R423 HydrophobicContact CE1-CB 3.96Å; Y327-R423 HydrophobicContact CE1-CG 3.93Å
328L90.6Very high81.4Confident0 Ų046.2 Ų46.20%024%0.242CC..EExtended strand (participates in β ladder)trans-117.7121.8164.3-54.993.2000108.4V340 V341 L342 F364 L365 L368 L378 V421 F422 I424L328-V340 HydrophobicContact CB-CG1 4.05Å; L328-V340 HydrophobicContact CD2-CG1 4.22Å; L328-V341 CarbonylContact C-O 3.17Å; L328-V341 WeakPolarHBondContact CA-O 3.43Å; L328-L342 HydrophobicContact CB-CD2 4.36Å; L328-L342 HydrophobicContact CD2-CD2 3.52Å; L328-L342 HydrophobicContact CG-CD2 3.7Å; L328-F364 HydrophobicContact CD2-CE1 4.42Å; L328-L365 HydrophobicContact CD2-CD2 4.24Å; L328-L368 HydrophobicContact CD1-CD2 4.2Å; L328-L368 HydrophobicContact CD2-CD2 3.44Å; L328-L368 VanDerWaalsContact CD2-CD2 3.44Å; L328-L378 HydrophobicContact CD1-CD2 4.02Å; L328-V421 WeakPolarHBondContact O-CA 3.06Å; L328-F422 HydrophobicContact CB-CB 4.45Å; L328-F422 HydrophobicContact CD1-CB 4.27Å; L328-F422 PolarHBondContact N-O 3.21Å; L328-F422 PolarHBondContact O-N 3.07Å; L328-I424 HydrophobicContact CD1-CD1 3.88Å; L328-I424 HydrophobicContact CD1-CG1 3.56Å
329H89.8Confident81.6Confident72 Ų7246 Ų4633%0.33324%0.242SC..EExtended strand (participates in β ladder)trans-99.5121.5169.8-61.3-177.3000108.1V341H329-V341 HydrophobicContact CB-CB 4.28Å; H329-V341 PolarHBondContact N-O 3.11Å; H329-V341 PolarHBondContact O-N 3.46Å
330C88.2Confident81.7Confident2 Ų241.4 Ų41.41%0.01422%0.215CC..EExtended strand (participates in β ladder)trans-120.999.9-168.3-68.80000109.9T339 V340 L361 Y420 F422C330-T339 WeakPolarHBondContact CA-O 3.48Å; C330-V340 HydrophobicContact CB-CG2 4.44Å; C330-L361 HydrophobicContact CB-CD2 4.48Å; C330-Y420 PolarHBondContact N-O 2.92Å; C330-Y420 PolarHBondContact O-N 2.98Å; C330-F422 HydrophobicContact CB-CE2 4.21Å
331H86.1Confident81.8Confident50 Ų5042.5 Ų42.523%0.23122%0.221CC..EExtended strand (participates in β ladder)trans-92124.3179.6-172.577.6000110.6Q333 G338 T339 A417 D419H331-Q333 WeakPolarHBondContact NE2-CG 3.43Å; H331-Q333 PolarHBondContact NE2-NE2 2.98Å; H331-G338 CarbonylContact O-C 3.57Å; H331-G338 WeakPolarHBondContact O-CA 3.19Å; H331-T339 PolarHBondContact N-O 3.47Å; H331-T339 VanDerWaalsContact N-O 3.07Å; H331-T339 PolarHBondContact O-N 3.03Å; H331-A417 VanDerWaalsContact CE1-CB 3.43Å; H331-A417 WeakPolarHBondContact CE1-CB 3.49Å; H331-D419 VanDerWaalsContact CA-OD1 3.28Å; H331-D419 WeakPolarHBondContact CA-OD1 3.44Å; H331-D419 VanDerWaalsContact CB-OD1 3.25Å; H331-D419 WeakPolarHBondContact CB-OD1 3.25Å; H331-D419 IonicContact CE1-OD1 3.43Å; H331-D419 IonicContact CE1-OD2 3.27Å; H331-D419 IonicContact CG-OD1 2.99Å; H331-D419 VanDerWaalsContact ND1-CG 3.28Å; H331-D419 IonicContact ND1-OD1 3.1Å; H331-D419 PolarHBondContact ND1-OD1 3.4Å; H331-D419 IonicContact ND1-OD2 3.72Å; H331-D419 PolarHBondContact ND1-OD2 2.88Å
332Q76.8Confident81.9Confident35 Ų3541 Ų4116%0.16421%0.213CC..EExtended strand (participates in β ladder)trans-117.7105.3179.3-17973.172.500110.7G337 L395 T418Q332-G337 PolarHBondContact NE2-O 3.45Å; Q332-L395 HydrophobicContact CG-CD2 3.62Å; Q332-T418 PolarHBondContact N-O 3.45Å; Q332-T418 PolarHBondContact O-N 3.38Å
333Q68.1Low81.9Confident79 Ų7941.7 Ų41.737%0.36922%0.217SC..EExtended strand (participates in β ladder)trans-87.8150165.7-67.3176.3300109.4H331 S336 G337 A417H331-Q333 WeakPolarHBondContact NE2-CG 3.43Å; H331-Q333 PolarHBondContact NE2-NE2 2.98Å; Q333-S336 WeakPolarHBondContact CB-OG 3.41Å; Q333-S336 VanDerWaalsContact OE1-CB 3.26Å; Q333-S336 PolarHBondContact OE1-OG 3.44Å; Q333-G337 PolarHBondContact N-O 3.09Å; Q333-G337 VanDerWaalsContact O-O 3.14Å; Q333-A417 HydrophobicContact CG-CB 3.73Å
334V58.4Low81.7Confident76 Ų7637.8 Ų37.846%0.46120%0.2SC..THydrogen-bonded Turntrans-67.9-39.1-178.5176.40000111D415V334-D415 VanDerWaalsContact CB-OD2 3.31Å; V334-D415 WeakPolarHBondContact CB-OD2 3.38Å; V334-D415 WeakPolarHBondContact CG2-OD1 3.38Å
335D56.5Low81.2Confident113 Ų11340.9 Ų40.960%0.60421%0.214SC*.THydrogen-bonded Turntrans-111.6-13.2-172.8-100.50000116.6R357D335-R357 PolarHBondContact O-NE 2.83Å; D335-R357 PolarHBondContact O-NH2 2.85Å
336S61.4Low80.3Confident66 Ų6645.7 Ų45.746%0.46224%0.24SC..THydrogen-bonded Turntrans-96-25.3-179.276.60000114.9Q333Q333-S336 WeakPolarHBondContact CB-OG 3.41Å; Q333-S336 VanDerWaalsContact OE1-CB 3.26Å; Q333-S336 PolarHBondContact OE1-OG 3.44Å
337G73.1Confident79.5Confident8 Ų846.4 Ų46.48%0.08226%0.255CS..EExtended strand (participates in β ladder)trans127.2-152.6-170.800000111.2Q332 Q333Q332-G337 PolarHBondContact NE2-O 3.45Å; Q333-G337 PolarHBondContact N-O 3.09Å; Q333-G337 VanDerWaalsContact O-O 3.14Å
338G85.6Confident78.9Confident4 Ų446.6 Ų46.64%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-136.4141.1176.900000111.2H331 F355H331-G338 CarbonylContact O-C 3.57Å; H331-G338 WeakPolarHBondContact O-CA 3.19Å; G338-F355 PolarHBondContact N-O 3.26Å; G338-F355 WeakPolarHBondContact O-CB 3.4Å; G338-F355 WeakPolarHBondContact O-CD2 3.45Å; G338-F355 PolarHBondContact O-N 3.07Å
339T89.7Confident78.5Confident26 Ų2652.6 Ų52.616%0.1629%0.289CS..EExtended strand (participates in β ladder)trans-117.9124.2-171.6-59.60000112.6C330 H331 P352 L353 R354C330-T339 WeakPolarHBondContact CA-O 3.48Å; H331-T339 PolarHBondContact N-O 3.47Å; H331-T339 VanDerWaalsContact N-O 3.07Å; H331-T339 PolarHBondContact O-N 3.03Å; T339-P352 HydrophobicContact CG2-CB 3.68Å; T339-L353 WeakPolarHBondContact CA-O 3.22Å; T339-R354 HydrophobicContact CG2-CG 4.17Å
340V91.6Very high78.2Confident0 Ų052.5 Ų52.50%029%0.286CS..EExtended strand (participates in β ladder)trans-77.199.3168.3-136.70000117.5L328 C330 L342 P352 L353 F355 L361L328-V340 HydrophobicContact CB-CG1 4.05Å; L328-V340 HydrophobicContact CD2-CG1 4.22Å; C330-V340 HydrophobicContact CB-CG2 4.44Å; V340-L342 HydrophobicContact CG1-CD2 3.95Å; V340-P352 CarbonylContact O-C 3.56Å; V340-P352 WeakPolarHBondContact O-CA 3.17Å; V340-L353 PolarHBondContact N-O 3.36Å; V340-L353 PolarHBondContact O-N 3.46Å; V340-F355 HydrophobicContact CB-CE2 4.34Å; V340-F355 HydrophobicContact CG2-CE2 3.99Å; V340-L361 HydrophobicContact CG2-CD1 3.41Å; V340-L361 VanDerWaalsContact CG2-CD1 3.41Å; V340-L361 HydrophobicContact CG2-CG 4.05Å
341V91.4Very high78.1Confident25 Ų2554.5 Ų54.515%0.15230%0.298CS..EExtended strand (participates in β ladder)trans-105.5126.5161.2-1750000109.8L328 H329 Q349 P352L328-V341 CarbonylContact C-O 3.17Å; L328-V341 WeakPolarHBondContact CA-O 3.43Å; H329-V341 HydrophobicContact CB-CB 4.28Å; H329-V341 PolarHBondContact N-O 3.11Å; H329-V341 PolarHBondContact O-N 3.46Å; V341-Q349 HydrophobicContact CG1-CB 4.12Å; V341-Q349 HydrophobicContact CG1-CG 4.48Å; V341-P352 HydrophobicContact CG2-CB 4.03Å; V341-P352 HydrophobicContact CG2-CG 4.09Å
342L91.3Very high78.3Confident3 Ų354.3 Ų54.32%0.01630%0.302CS..EExtended strand (participates in β ladder)trans-106.3133.2180-55.5174.5000109.4L291 I320 I325 L328 V340 R350 L353L291-L342 HydrophobicContact CD2-CD1 3.59Å; I320-L342 HydrophobicContact CD1-CD1 4.03Å; I325-L342 HydrophobicContact CD1-CB 4.12Å; I325-L342 HydrophobicContact CG2-CB 4.29Å; I325-L342 HydrophobicContact CG2-CD2 4.42Å; L328-L342 HydrophobicContact CB-CD2 4.36Å; L328-L342 HydrophobicContact CD2-CD2 3.52Å; L328-L342 HydrophobicContact CG-CD2 3.7Å; V340-L342 HydrophobicContact CG1-CD2 3.95Å; L342-R350 HydrophobicContact CB-CB 4.3Å; L342-R350 HydrophobicContact CB-CG 4.36Å; L342-R350 PolarHBondContact O-N 2.9Å; L342-L353 HydrophobicContact CD1-CD1 4.28Å
343V86.3Confident79.1Confident14 Ų1452.8 Ų52.89%0.08530%0.295CS..EExtended strand (participates in β ladder)trans-115.9119.6-179.6-164.50000109.7V326 Y327 I348 Q349V326-V343 PolarHBondContact N-O 3.48Å; Y327-V343 PolarHBondContact N-O 3.08Å; Y327-V343 PolarHBondContact O-N 3.06Å; V343-I348 WeakPolarHBondContact CA-O 3.38Å; V343-Q349 HydrophobicContact CG1-CG 4.46Å; V343-Q349 HydrophobicContact CG2-CG 4.27Å
344S82.4Confident80.2Confident6 Ų654.3 Ų54.34%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-80.6169.9-179.634.60000113.8E324 D346 G347 I348E324-S344 CarbonylContact O-C 3.35Å; E324-S344 WeakPolarHBondContact O-CA 3.27Å; E324-S344 VanDerWaalsContact O-CB 3.27Å; E324-S344 WeakPolarHBondContact O-CB 3.18Å; S344-D346 WeakPolarHBondContact CB-OD1 3.42Å; S344-D346 PolarHBondContact O-N 2.92Å; S344-D346 VanDerWaalsContact O-N 3.15Å; S344-D346 PolarHBondContact OG-OD1 3.34Å; S344-G347 WeakPolarHBondContact O-CA 3.5Å; S344-G347 PolarHBondContact O-N 3.27Å; S344-I348 PolarHBondContact N-O 2.79Å; S344-I348 PolarHBondContact OG-O 3.41Å
345Q73.3Confident81.6Confident145 Ų14550.9 Ų50.968%0.67828%0.276SS*.THydrogen-bonded Turntrans-56.9-25.2-179-68.5-177.325.700114.2E323 E324 V326 G347E323-Q345 PolarHBondContact O-NE2 2.79Å; E324-Q345 PolarHBondContact O-N 3.13Å; V326-Q345 HydrophobicContact CG2-CB 4.14Å; V326-Q345 HydrophobicContact CG2-CG 3.57Å; Q345-G347 VanDerWaalsContact C-N 3.31Å
346D70.3Confident82.9Confident105 Ų10547.4 Ų47.456%0.56126%0.26SS*.THydrogen-bonded Turntrans-79.1-8.517455.47.2000114.1S344 I348S344-D346 WeakPolarHBondContact CB-OD1 3.42Å; S344-D346 PolarHBondContact O-N 2.92Å; S344-D346 VanDerWaalsContact O-N 3.15Å; S344-D346 PolarHBondContact OG-OD1 3.34Å; D346-I348 HydrophobicContact CB-CG1 4.42Å; D346-I348 WeakPolarHBondContact OD1-CB 3.09Å; D346-I348 PolarHBondContact OD1-N 3.09Å; D346-I348 WeakPolarHBondContact OD2-CD1 3.43Å
347G68.4Low83.8Confident50 Ų5052.9 Ų52.952%0.51527%0.27SS..  trans83.73.5-174.300000114.6S344 Q345S344-G347 WeakPolarHBondContact O-CA 3.5Å; S344-G347 PolarHBondContact O-N 3.27Å; Q345-G347 VanDerWaalsContact C-N 3.31Å
348I76.6Confident83.6Confident99 Ų9955.7 Ų55.751%0.50830%0.299SS..PPolyproline II helixtrans-72.6132.8176.8-62.1-177.4000109.5V343 S344 D346V343-I348 WeakPolarHBondContact CA-O 3.38Å; S344-I348 PolarHBondContact N-O 2.79Å; S344-I348 PolarHBondContact OG-O 3.41Å; D346-I348 HydrophobicContact CB-CG1 4.42Å; D346-I348 WeakPolarHBondContact OD1-CB 3.09Å; D346-I348 PolarHBondContact OD1-N 3.09Å; D346-I348 WeakPolarHBondContact OD2-CD1 3.43Å
349Q83.4Confident83.1Confident127 Ų12757.7 Ų57.759%0.59332%0.319SS*.BIsolated β-bridgetrans-88.4128.7173.3-61-173.37700109.2V341 V343V341-Q349 HydrophobicContact CG1-CB 4.12Å; V341-Q349 HydrophobicContact CG1-CG 4.48Å; V343-Q349 HydrophobicContact CG1-CG 4.46Å; V343-Q349 HydrophobicContact CG2-CG 4.27Å
350R83.8Confident82.8Confident70 Ų7058.3 Ų58.326%0.26432%0.32SS..PPolyproline II helixtrans-83.4152.1174.6-55.6-61.6-177119.78.7110.4I320 E324 L342I320-R350 HydrophobicContact CD1-CG 4.29Å; E324-R350 IonicContact OE2-NH2 2.92Å; E324-R350 PolarHBondContact OE2-NH2 3.24Å; L342-R350 HydrophobicContact CB-CB 4.3Å; L342-R350 HydrophobicContact CB-CG 4.36Å; L342-R350 PolarHBondContact O-N 2.9Å
351P86.6Confident82.4Confident43 Ų4358.7 Ų58.728%0.27932%0.323SS..PPolyproline II helixtrans-49.7138-177.9-32.437.8000114.4V267 M318 L353V267-P351 HydrophobicContact CG1-CB 3.63Å; M318-P351 HydrophobicContact SD-CG 4.46Å; P351-L353 PolarHBondContact O-N 3.28Å
352P90.2Very high82Confident47 Ų4760.6 Ų60.631%0.30533%0.332SS..PPolyproline II helixtrans-63.9120.3-173.8-22.933.1000114T339 V340 V341 R354T339-P352 HydrophobicContact CG2-CB 3.68Å; V340-P352 CarbonylContact O-C 3.56Å; V340-P352 WeakPolarHBondContact O-CA 3.17Å; V341-P352 HydrophobicContact CG2-CB 4.03Å; V341-P352 HydrophobicContact CG2-CG 4.09Å; P352-R354 PolarHBondContact O-N 2.92Å
353L92.3Very high81.4Confident2 Ų265.4 Ų65.41%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-82.796.2175.1-49.2177.3000110V265 V267 L280 L291 M318 T339 V340 L342 P351 F355V265-L353 HydrophobicContact CG1-CB 4.03Å; V267-L353 HydrophobicContact CG2-CD2 3.51Å; L280-L353 HydrophobicContact CD1-CD1 3.97Å; L280-L353 HydrophobicContact CD1-CD2 4.46Å; L280-L353 HydrophobicContact CD2-CD1 4.26Å; L291-L353 HydrophobicContact CD2-CD1 4.05Å; M318-L353 HydrophobicContact CE-CD2 3.62Å; T339-L353 WeakPolarHBondContact CA-O 3.22Å; V340-L353 PolarHBondContact N-O 3.36Å; V340-L353 PolarHBondContact O-N 3.46Å; L342-L353 HydrophobicContact CD1-CD1 4.28Å; P351-L353 PolarHBondContact O-N 3.28Å; L353-F355 HydrophobicContact CB-CE2 4.3Å; L353-F355 WeakPolarHBondContact O-CD2 3.47Å; L353-F355 PolarHBondContact O-N 3.22Å
354R91.3Very high81.6Confident111 Ų11164.7 Ų64.742%0.41935%0.35SS..EExtended strand (participates in β ladder)trans-86.7112.1-179.5-42.6-171.7-168.7-1558.3110.3L266 T339 P352L266-R354 HydrophobicContact CB-CB 4.23Å; L266-R354 PolarHBondContact N-O 3.41Å; L266-R354 PolarHBondContact O-N 2.89Å; T339-R354 HydrophobicContact CG2-CG 4.17Å; P352-R354 PolarHBondContact O-N 2.92Å
355F89.1Confident81.8Confident5 Ų564.6 Ų64.62%0.02235%0.348CS..EExtended strand (participates in β ladder)trans-83.2139.4178.9-69.6-101.9000111.5F260 V265 L280 G338 V340 L353 H360 F364F260-F355 AromaticContact CE1-CE1 3.89Å; F260-F355 HydrophobicContact CE1-CE1 3.89Å; F260-F355 HydrophobicContact CZ-CD1 4.46Å; F260-F355 AromaticContact CZ-CE1 3.87Å; F260-F355 HydrophobicContact CZ-CE1 3.87Å; V265-F355 HydrophobicContact CG2-CD1 3.98Å; V265-F355 HydrophobicContact CG2-CE1 4.2Å; L280-F355 HydrophobicContact CD2-CE1 3.69Å; L280-F355 HydrophobicContact CD2-CE2 4.38Å; L280-F355 HydrophobicContact CD2-CZ 3.42Å; L280-F355 VanDerWaalsContact CD2-CZ 3.42Å; G338-F355 PolarHBondContact N-O 3.26Å; G338-F355 WeakPolarHBondContact O-CB 3.4Å; G338-F355 WeakPolarHBondContact O-CD2 3.45Å; G338-F355 PolarHBondContact O-N 3.07Å; V340-F355 HydrophobicContact CB-CE2 4.34Å; V340-F355 HydrophobicContact CG2-CE2 3.99Å; L353-F355 HydrophobicContact CB-CE2 4.3Å; L353-F355 WeakPolarHBondContact O-CD2 3.47Å; L353-F355 PolarHBondContact O-N 3.22Å; F355-H360 HydrophobicContact CD1-CB 4.13Å; F355-F364 HydrophobicContact CE1-CB 3.7Å; F355-F364 HydrophobicContact CE1-CD1 4.47Å; F355-F364 AromaticContact CE1-CG 3.99Å; F355-F364 HydrophobicContact CE1-CG 3.99Å; F355-F364 HydrophobicContact CE2-CD1 4.21Å; F355-F364 HydrophobicContact CZ-CB 3.72Å; F355-F364 AromaticContact CZ-CD1 3.62Å; F355-F364 HydrophobicContact CZ-CD1 3.62Å; F355-F364 HydrophobicContact CZ-CD2 4.19Å; F355-F364 HydrophobicContact CZ-CE1 4.3Å; F355-F364 AromaticContact CZ-CG 3.55Å; F355-F364 HydrophobicContact CZ-CG 3.55Å
356P84Confident82.3Confident40 Ų4059.3 Ų59.326%0.2633%0.328SS..  trans-69.1154.6178.929.4-34.4000111.9N264 G358N264-P356 WeakPolarHBondContact O-CD 3.18Å; P356-G358 PolarHBondContact O-N 2.97Å
357R78.8Confident83.1Confident181 Ų18155.7 Ų55.768%0.68331%0.31SS*.THydrogen-bonded Turntrans-43.3134.6174.2-66.5173.1171.1172.2-7.2111.5D335D335-R357 PolarHBondContact O-NE 2.83Å; D335-R357 PolarHBondContact O-NH2 2.85Å
358G70.2Confident84.1Confident66 Ų6653.3 Ų53.368%0.6829%0.286SS*.THydrogen-bonded Turntrans135.58.7178.100000116.9P356 H360P356-G358 PolarHBondContact O-N 2.97Å; G358-H360 VanDerWaalsContact C-N 3.32Å; G358-H360 PolarHBondContact O-N 3.14Å
359G74.3Confident84.6Confident46 Ų4649 Ų4947%0.47426%0.264SS..THydrogen-bonded Turntrans76.915.4179.900000114.6L361 L362 Q363G359-L361 PolarHBondContact O-N 2.82Å; G359-L362 PolarHBondContact O-N 2.7Å; G359-Q363 PolarHBondContact O-N 3.19Å
360H82.5Confident84.5Confident39 Ų3947.3 Ų47.318%0.18126%0.258CS..Hα-helixtrans-64.7-24.8-178.9-64.7-56.5000113.8K262 F355 G358 Q363 F364K262-H360 VanDerWaalsContact CE-CD2 3.47Å; K262-H360 WeakPolarHBondContact CE-CD2 3.2Å; K262-H360 PolarHBondContact NZ-CD2 3.05Å; K262-H360 VanDerWaalsContact NZ-CD2 3.27Å; K262-H360 PolarHBondContact NZ-NE2 3.3Å; F355-H360 HydrophobicContact CD1-CB 4.13Å; G358-H360 VanDerWaalsContact C-N 3.32Å; G358-H360 PolarHBondContact O-N 3.14Å; H360-Q363 PolarHBondContact ND1-OE1 2.72Å; H360-Q363 PolarHBondContact O-N 3.29Å; H360-F364 WeakPolarHBondContact O-CB 3.43Å; H360-F364 PolarHBondContact O-N 3Å
361L84.6Confident84.6Confident9 Ų944.1 Ų44.15%0.04725%0.248CC..Hα-helixtrans-57.8-52.1170.4-157.8-29000110.8C330 V340 G359 Q363 F364 L365C330-L361 HydrophobicContact CB-CD2 4.48Å; V340-L361 HydrophobicContact CG2-CD1 3.41Å; V340-L361 VanDerWaalsContact CG2-CD1 3.41Å; V340-L361 HydrophobicContact CG2-CG 4.05Å; G359-L361 PolarHBondContact O-N 2.82Å; L361-Q363 VanDerWaalsContact C-N 3.28Å; L361-Q363 PolarHBondContact O-N 2.89Å; L361-F364 WeakPolarHBondContact O-CB 3.24Å; L361-F364 PolarHBondContact O-N 2.9Å; L361-F364 VanDerWaalsContact O-N 3.12Å; L361-L365 HydrophobicContact CD1-CD1 3.58Å; L361-L365 HydrophobicContact CD1-CD2 4.42Å; L361-L365 HydrophobicContact CD1-CG 3.7Å; L361-L365 PolarHBondContact O-N 3.01Å
362L82Confident84.5Confident65 Ų6542.4 Ų42.434%0.3424%0.236SC..Hα-helixtrans-63.6-35.2178.6-177.660.7000111.9G359 S366 L395G359-L362 PolarHBondContact O-N 2.7Å; L362-S366 WeakPolarHBondContact O-CB 3.22Å; L362-S366 PolarHBondContact O-N 3.19Å; L362-L395 HydrophobicContact CB-CD1 4.03Å; L362-L395 HydrophobicContact CD1-CD1 3.96Å; L362-L395 HydrophobicContact CD2-CB 4.22Å; L362-L395 HydrophobicContact CD2-CD1 3.91Å; L362-L395 HydrophobicContact CG-CD1 4.18Å
363Q79.1Confident83.9Confident103 Ų10344.4 Ų44.448%0.48124%0.244SC..Hα-helixtrans-66.9-38.8174.3-170.5-176.7-0.100111.8F260 G359 H360 L361 S366 C367F260-Q363 HydrophobicContact CD2-CG 4.2Å; F260-Q363 HydrophobicContact CE2-CB 4.04Å; F260-Q363 HydrophobicContact CE2-CG 3.89Å; G359-Q363 PolarHBondContact O-N 3.19Å; H360-Q363 PolarHBondContact ND1-OE1 2.72Å; H360-Q363 PolarHBondContact O-N 3.29Å; L361-Q363 VanDerWaalsContact C-N 3.28Å; L361-Q363 PolarHBondContact O-N 2.89Å; Q363-S366 PolarHBondContact O-N 3.45Å; Q363-C367 PolarHBondContact O-N 3.48Å; Q363-C367 PolarHBondContact O-SG 2.91Å; Q363-C367 VanDerWaalsContact O-SG 3.36Å
364F89.6Confident82.8Confident0 Ų049.1 Ų49.10%027%0.274CS..Hα-helixtrans-63.7-53174.8169.8-111.3000111.6F260 L280 L291 L328 F355 H360 L361 S366 C367 L368F260-F364 HydrophobicContact CD1-CB 4.43Å; F260-F364 AromaticContact CD1-CD2 3.78Å; F260-F364 HydrophobicContact CD1-CD2 3.78Å; F260-F364 HydrophobicContact CD2-CB 4.25Å; F260-F364 HydrophobicContact CE1-CB 4.06Å; F260-F364 HydrophobicContact CE1-CD2 4.01Å; F260-F364 HydrophobicContact CE1-CG 4.45Å; F260-F364 HydrophobicContact CE2-CB 3.87Å; F260-F364 HydrophobicContact CG-CD2 4.12Å; F260-F364 HydrophobicContact CZ-CB 3.76Å; L280-F364 HydrophobicContact CD2-CD2 4.42Å; L280-F364 HydrophobicContact CD2-CE2 4.43Å; L291-F364 HydrophobicContact CD1-CE2 3.57Å; L291-F364 HydrophobicContact CD1-CZ 3.93Å; L291-F364 HydrophobicContact CD2-CZ 4.34Å; L328-F364 HydrophobicContact CD2-CE1 4.42Å; F355-F364 HydrophobicContact CE1-CB 3.7Å; F355-F364 HydrophobicContact CE1-CD1 4.47Å; F355-F364 AromaticContact CE1-CG 3.99Å; F355-F364 HydrophobicContact CE1-CG 3.99Å; F355-F364 HydrophobicContact CE2-CD1 4.21Å; F355-F364 HydrophobicContact CZ-CB 3.72Å; F355-F364 AromaticContact CZ-CD1 3.62Å; F355-F364 HydrophobicContact CZ-CD1 3.62Å; F355-F364 HydrophobicContact CZ-CD2 4.19Å; F355-F364 HydrophobicContact CZ-CE1 4.3Å; F355-F364 AromaticContact CZ-CG 3.55Å; F355-F364 HydrophobicContact CZ-CG 3.55Å; H360-F364 WeakPolarHBondContact O-CB 3.43Å; H360-F364 PolarHBondContact O-N 3Å; L361-F364 WeakPolarHBondContact O-CB 3.24Å; L361-F364 PolarHBondContact O-N 2.9Å; L361-F364 VanDerWaalsContact O-N 3.12Å; F364-S366 VanDerWaalsContact C-N 3.27Å; F364-S366 PolarHBondContact O-N 2.84Å; F364-C367 PolarHBondContact O-N 3.14Å; F364-C367 VanDerWaalsContact O-N 3.08Å; F364-L368 WeakPolarHBondContact O-CB 3.17Å; F364-L368 PolarHBondContact O-N 3.23Å
365L88.4Confident82Confident3 Ų349.6 Ų49.62%0.01628%0.281CS..Hα-helixtrans-58.5-40.5176.5-65.7176000111.4L328 L361 C367 L368 E369 L382 F422L328-L365 HydrophobicContact CD2-CD2 4.24Å; L361-L365 HydrophobicContact CD1-CD1 3.58Å; L361-L365 HydrophobicContact CD1-CD2 4.42Å; L361-L365 HydrophobicContact CD1-CG 3.7Å; L361-L365 PolarHBondContact O-N 3.01Å; L365-C367 VanDerWaalsContact C-N 3.34Å; L365-C367 PolarHBondContact O-N 3.07Å; L365-L368 HydrophobicContact CD2-CD2 4.32Å; L365-L368 WeakPolarHBondContact O-CB 3.37Å; L365-L368 PolarHBondContact O-N 3.23Å; L365-E369 PolarHBondContact O-N 3.22Å; L365-L382 VanDerWaalsContact C-CD1 3.43Å; L365-L382 HydrophobicContact CB-CD1 3.78Å; L365-L382 HydrophobicContact CB-CD2 4.38Å; L365-L382 VanDerWaalsContact O-CD1 3.29Å; L365-L382 WeakPolarHBondContact O-CD1 3.47Å; L365-F422 HydrophobicContact CD1-CE2 3.91Å; L365-F422 HydrophobicContact CD1-CZ 4.44Å
366S83.4Confident81.5Confident34 Ų3449.5 Ų49.524%0.23828%0.282CS..Hα-helixtrans-60.5-39.3175.1175.80000112.9L362 Q363 F364 N370 W383L362-S366 WeakPolarHBondContact O-CB 3.22Å; L362-S366 PolarHBondContact O-N 3.19Å; Q363-S366 PolarHBondContact O-N 3.45Å; F364-S366 VanDerWaalsContact C-N 3.27Å; F364-S366 PolarHBondContact O-N 2.84Å; S366-N370 PolarHBondContact O-ND2 2.85Å; S366-W383 VanDerWaalsContact OG-CH2 3.32Å; S366-W383 WeakPolarHBondContact OG-CH2 3.03Å; S366-W383 WeakPolarHBondContact OG-CZ2 3.41Å
367C86.6Confident81.6Confident29 Ų2951.3 Ų51.320%0.19629%0.286CS..Hα-helixtrans-76.1-33.8175.7-69.40000112.1L259 F260 L282 Q363 F364 L365 G371L259-C367 HydrophobicContact CB-CB 4.49Å; L259-C367 PolarHBondContact O-SG 2.91Å; F260-C367 HydrophobicContact CB-CB 3.8Å; F260-C367 HydrophobicContact CD2-CB 4.36Å; L282-C367 HydrophobicContact CD2-CB 4.39Å; Q363-C367 PolarHBondContact O-N 3.48Å; Q363-C367 PolarHBondContact O-SG 2.91Å; Q363-C367 VanDerWaalsContact O-SG 3.36Å; F364-C367 PolarHBondContact O-N 3.14Å; F364-C367 VanDerWaalsContact O-N 3.08Å; L365-C367 VanDerWaalsContact C-N 3.34Å; L365-C367 PolarHBondContact O-N 3.07Å; C367-G371 PolarHBondContact O-N 3.07Å
368L89.4Confident81.9Confident0 Ų042.7 Ų42.70%025%0.254CS..Hα-helixtrans-61.4-52.7176.3178.166.7000111.7L282 M289 L322 L328 F364 L365 N370 G371 L372 L378L282-L368 HydrophobicContact CD2-CB 4.4Å; M289-L368 HydrophobicContact CE-CD1 3.89Å; L322-L368 HydrophobicContact CD1-CD1 3.64Å; L328-L368 HydrophobicContact CD1-CD2 4.2Å; L328-L368 HydrophobicContact CD2-CD2 3.44Å; L328-L368 VanDerWaalsContact CD2-CD2 3.44Å; F364-L368 WeakPolarHBondContact O-CB 3.17Å; F364-L368 PolarHBondContact O-N 3.23Å; L365-L368 HydrophobicContact CD2-CD2 4.32Å; L365-L368 WeakPolarHBondContact O-CB 3.37Å; L365-L368 PolarHBondContact O-N 3.23Å; L368-N370 PolarHBondContact O-N 3.33Å; L368-G371 PolarHBondContact O-N 2.98Å; L368-G371 VanDerWaalsContact O-N 3.14Å; L368-L372 HydrophobicContact CG-CD1 4.4Å; L368-L372 WeakPolarHBondContact O-CG 3.31Å; L368-L372 PolarHBondContact O-N 3.41Å; L368-L378 HydrophobicContact CD2-CD1 4.34Å; L368-L378 HydrophobicContact CD2-CD2 4.12Å
369E86.4Confident82.3Confident10 Ų1042.9 Ų42.95%0.04724%0.239CC..Hα-helixtrans-63.6-41.5-178.7-172.2172.5-135.500112.2L365 G371 L372 L373 L378 P381 L382 W383L365-E369 PolarHBondContact O-N 3.22Å; E369-G371 VanDerWaalsContact C-N 3.29Å; E369-G371 PolarHBondContact O-N 2.84Å; E369-L372 PolarHBondContact O-N 3.48Å; E369-L373 PolarHBondContact O-N 3.49Å; E369-L378 HydrophobicContact CB-CD1 4.05Å; E369-L378 HydrophobicContact CB-CG 4.2Å; E369-L378 HydrophobicContact CG-CG 4.38Å; E369-P381 WeakPolarHBondContact OE1-CA 3.46Å; E369-P381 WeakPolarHBondContact OE1-CB 3.48Å; E369-L382 HydrophobicContact CB-CD1 4Å; E369-L382 PolarHBondContact OE1-N 2.87Å; E369-L382 WeakPolarHBondContact OE2-CB 3.46Å; E369-L382 WeakPolarHBondContact OE2-CD1 3.2Å; E369-L382 VanDerWaalsContact OE2-CG 3.25Å; E369-L382 WeakPolarHBondContact OE2-CG 3.24Å; E369-L382 PolarHBondContact OE2-N 3.42Å; E369-L382 VanDerWaalsContact OE2-N 3.15Å; E369-W383 HydrophobicContact CB-CZ3 4.35Å; E369-W383 HydrophobicContact CG-CZ3 4.47Å; E369-W383 WeakPolarHBondContact OE2-CZ3 3.38Å
370N82.9Confident82.4Confident90 Ų9043.6 Ų43.648%0.48124%0.236SC..Hα-helixtrans-66.9-28.9175.3-76.6-75.9000113S366 L368 W383S366-N370 PolarHBondContact O-ND2 2.85Å; L368-N370 PolarHBondContact O-N 3.33Å; N370-W383 WeakPolarHBondContact ND2-CH2 3.2Å; N370-W383 WeakPolarHBondContact ND2-CZ3 3.21Å
371G84.1Confident81.9Confident4 Ų444 Ų444%0.04124%0.242CC..Hα-helixtrans-78.4-24.1175.800000114.7Q284 C367 L368 E369Q284-G371 PolarHBondContact NE2-O 3.01Å; C367-G371 PolarHBondContact O-N 3.07Å; L368-G371 PolarHBondContact O-N 2.98Å; L368-G371 VanDerWaalsContact O-N 3.14Å; E369-G371 VanDerWaalsContact C-N 3.29Å; E369-G371 PolarHBondContact O-N 2.84Å
372L85.1Confident81.2Confident7 Ų744 Ų444%0.03724%0.242CC..Hα-helixtrans-73-35.7172.4-69.6167.7000111.4M289 L368 E369 H375 G376 L378 I424 F426M289-L372 HydrophobicContact CE-CD2 3.73Å; M289-L372 HydrophobicContact CE-CG 3.78Å; L368-L372 HydrophobicContact CG-CD1 4.4Å; L368-L372 WeakPolarHBondContact O-CG 3.31Å; L368-L372 PolarHBondContact O-N 3.41Å; E369-L372 PolarHBondContact O-N 3.48Å; L372-H375 CarbonylContact O-C 3.49Å; L372-H375 PolarHBondContact O-N 2.97Å; L372-G376 CarbonylContact C-O 3.58Å; L372-G376 WeakPolarHBondContact CB-O 3.49Å; L372-G376 PolarHBondContact O-N 3.26Å; L372-L378 HydrophobicContact CD1-CD2 3.81Å; L372-L378 HydrophobicContact CD1-CG 4.16Å; L372-I424 HydrophobicContact CD1-CG2 3.9Å; L372-I424 HydrophobicContact CD2-CG2 3.83Å; L372-F426 HydrophobicContact CD2-CE1 3.59Å; L372-F426 HydrophobicContact CD2-CZ 3.71Å
373L79Confident80.3Confident88 Ų8847.1 Ų47.146%0.46125%0.249SC..THydrogen-bonded Turntrans-64.7141.3-178-70.6171000112.7E369 G376E369-L373 PolarHBondContact O-N 3.49Å; L373-G376 PolarHBondContact N-O 3.36Å
374P69.1Low79.1Confident101 Ų10144.7 Ų44.766%0.65624%0.243SC*.THydrogen-bonded Turncis-89.42.1-1.137.5-36.5000113.8
375H73.9Confident77.1Confident122 Ų12254 Ų5457%0.56529%0.287SS*.THydrogen-bonded Turntrans-94.19-171.3-60.1-62.5000114.1L372 F426 P427L372-H375 CarbonylContact O-C 3.49Å; L372-H375 PolarHBondContact O-N 2.97Å; H375-F426 WeakPolarHBondContact O-CD1 3.31Å; H375-P427 VanDerWaalsContact C-CD 3.45Å; H375-P427 WeakPolarHBondContact O-CD 3.35Å
376G79.1Confident75Confident3 Ų365 Ų653%0.03133%0.329CS..  trans-173.4172.4172.600000112.6L372 L373 I425L372-G376 CarbonylContact C-O 3.58Å; L372-G376 WeakPolarHBondContact CB-O 3.49Å; L372-G376 PolarHBondContact O-N 3.26Å; L373-G376 PolarHBondContact N-O 3.36Å; G376-I425 CarbonylContact C-O 3.55Å; G376-I425 WeakPolarHBondContact CA-O 3.43Å
377Q84.8Confident73.2Confident77 Ų7766.9 Ų66.936%0.3635%0.353SS..EExtended strand (participates in β ladder)trans-150165.6174.466.8179.829.500111I425Q377-I425 HydrophobicContact CG-CB 4.36Å; Q377-I425 PolarHBondContact N-O 3.23Å; Q377-I425 PolarHBondContact O-N 3.03Å
378L84.9Confident71.1Confident0 Ų075 Ų750%038%0.384CS..EExtended strand (participates in β ladder)trans-85.7148.6161.8-61.5-178.1000110L328 L368 E369 L372 P380 P381 L382 F422 R423 I424L328-L378 HydrophobicContact CD1-CD2 4.02Å; L368-L378 HydrophobicContact CD2-CD1 4.34Å; L368-L378 HydrophobicContact CD2-CD2 4.12Å; E369-L378 HydrophobicContact CB-CD1 4.05Å; E369-L378 HydrophobicContact CB-CG 4.2Å; E369-L378 HydrophobicContact CG-CG 4.38Å; L372-L378 HydrophobicContact CD1-CD2 3.81Å; L372-L378 HydrophobicContact CD1-CG 4.16Å; L378-P380 CarbonylContact O-C 3.6Å; L378-P381 WeakPolarHBondContact O-CA 3.34Å; L378-L382 HydrophobicContact CD1-CD1 4.14Å; L378-L382 HydrophobicContact CD1-CD2 4.26Å; L378-L382 HydrophobicContact CD1-CG 4.12Å; L378-F422 HydrophobicContact CB-CD1 4.44Å; L378-F422 HydrophobicContact CD1-CD1 4.48Å; L378-F422 HydrophobicContact CD2-CB 4.46Å; L378-R423 CarbonylContact C-O 3.27Å; L378-R423 WeakPolarHBondContact CA-O 3.45Å; L378-I424 HydrophobicContact CD2-CG1 4.17Å
379D78.3Confident68.9Low70 Ų7077.4 Ų77.437%0.37441%0.41SS..EExtended strand (participates in β ladder)trans-130.1115.2174.3-178.634.6000109.5R423 I425D379-R423 HydrophobicContact CB-CB 4.35Å; D379-R423 PolarHBondContact N-O 3.28Å; D379-R423 PolarHBondContact O-N 3.32Å; D379-I425 HydrophobicContact CB-CD1 3.56Å; D379-I425 HydrophobicContact CB-CG1 4.17Å
380P78.3Confident66.8Low61 Ų6186 Ų8640%0.39645%0.447SS..SBendcis-68.9148-4.130.8-35.8000112.4L378 F422L378-P380 CarbonylContact O-C 3.6Å; P380-F422 HydrophobicContact CG-CE1 4.47Å; P380-F422 WeakPolarHBondContact O-CD1 3.31Å
381P71Confident65.2Low48 Ų4885.8 Ų85.831%0.31245%0.449SS..  trans-70.1149.7178.528.6-35.5000112.2E369 L378 W383E369-P381 WeakPolarHBondContact OE1-CA 3.46Å; E369-P381 WeakPolarHBondContact OE1-CB 3.48Å; L378-P381 WeakPolarHBondContact O-CA 3.34Å; P381-W383 VanDerWaalsContact C-N 3.26Å; P381-W383 PolarHBondContact O-N 2.8Å
382L69.7Low63.7Low10 Ų1087.1 Ų87.15%0.05245%0.454CS..SBendtrans-71.2-24.7-173.5-51.1169.8000112.3L365 E369 L378 F392 F422L365-L382 VanDerWaalsContact C-CD1 3.43Å; L365-L382 HydrophobicContact CB-CD1 3.78Å; L365-L382 HydrophobicContact CB-CD2 4.38Å; L365-L382 VanDerWaalsContact O-CD1 3.29Å; L365-L382 WeakPolarHBondContact O-CD1 3.47Å; E369-L382 HydrophobicContact CB-CD1 4Å; E369-L382 PolarHBondContact OE1-N 2.87Å; E369-L382 WeakPolarHBondContact OE2-CB 3.46Å; E369-L382 WeakPolarHBondContact OE2-CD1 3.2Å; E369-L382 VanDerWaalsContact OE2-CG 3.25Å; E369-L382 WeakPolarHBondContact OE2-CG 3.24Å; E369-L382 PolarHBondContact OE2-N 3.42Å; E369-L382 VanDerWaalsContact OE2-N 3.15Å; L378-L382 HydrophobicContact CD1-CD1 4.14Å; L378-L382 HydrophobicContact CD1-CD2 4.26Å; L378-L382 HydrophobicContact CD1-CG 4.12Å; L382-F392 HydrophobicContact CD2-CE2 4.25Å; L382-F422 HydrophobicContact CD2-CD1 4.24Å; L382-F422 HydrophobicContact CD2-CE1 3.52Å; L382-F422 HydrophobicContact CD2-CZ 3.71Å
383W63.3Low61.7Low130 Ų13091.2 Ų91.249%0.49248%0.48SS..BIsolated β-bridgetrans-131.2136.7176.7-48.9-77.4000111.8S366 E369 N370 P381S366-W383 VanDerWaalsContact OG-CH2 3.32Å; S366-W383 WeakPolarHBondContact OG-CH2 3.03Å; S366-W383 WeakPolarHBondContact OG-CZ2 3.41Å; E369-W383 HydrophobicContact CB-CZ3 4.35Å; E369-W383 HydrophobicContact CG-CZ3 4.47Å; E369-W383 WeakPolarHBondContact OE2-CZ3 3.38Å; N370-W383 WeakPolarHBondContact ND2-CH2 3.2Å; N370-W383 WeakPolarHBondContact ND2-CZ3 3.21Å; P381-W383 VanDerWaalsContact C-N 3.26Å; P381-W383 PolarHBondContact O-N 2.8Å
384S54.5Low60.2Low51 Ų5195.9 Ų95.936%0.35750%0.497SS..  trans-73137.5172.567.20000111.7R386 G387S384-R386 PolarHBondContact O-N 3.08Å; S384-G387 PolarHBondContact O-N 2.85Å
385Q47.7Very low59Low197 Ų19793.4 Ų93.492%0.92148%0.478SS*.THydrogen-bonded Turntrans-60.7-5.4-178.4-68.1-176.5-8.700115.2
386R43.4Very low57.4Low234 Ų23496.2 Ų96.288%0.88349%0.489SS*.THydrogen-bonded Turntrans-104.212.4175.8-67.4-168.6177.8-162.70.6114.4S384 K388S384-R386 PolarHBondContact O-N 3.08Å; R386-K388 PolarHBondContact O-N 2.94Å
387G45.9Very low55.4Low72 Ų72105.5 Ų105.574%0.74253%0.528SS*.SBendtrans65.27.216300000117.1S384S384-G387 PolarHBondContact O-N 2.85Å
388K43.5Very low53Low199 Ų199113.2 Ų113.287%0.86555%0.554SS**  trans-140.486.9-179.9-71.9-172.2178.6-179.90110.9R386R386-K388 PolarHBondContact O-N 2.94Å
389G43.2Very low50.6Low52 Ų52118.8 Ų118.854%0.53659%0.588SS.*  trans154.8124.6175.400000110.6
390K41.6Very low48.6Very low191 Ų191121.3 Ų121.383%0.8361%0.608SS**BIsolated β-bridgetrans-88.5130.5168.8-64.6-179.1-180-179.50108F392K390-F392 VanDerWaalsContact C-N 3.29Å
391V48.3Very low46.6Very low85 Ų85126.9 Ų126.952%0.51563%0.633SS.*SBendtrans-77.4-22.8167.8-176.20000110.6
392F52.3Low44.7Very low32 Ų32127.8 Ų127.814%0.1465%0.652CS.*SBendtrans-92.5126.1178.6-92.8-96.3000114.8L382 K390 K394 L395 Y420 F422L382-F392 HydrophobicContact CD2-CE2 4.25Å; K390-F392 VanDerWaalsContact C-N 3.29Å; F392-K394 PolarHBondContact O-N 3.25Å; F392-L395 HydrophobicContact CD1-CD1 3.54Å; F392-L395 HydrophobicContact CD1-CG 3.79Å; F392-L395 HydrophobicContact CE1-CD1 3.63Å; F392-L395 HydrophobicContact CE1-CG 4.21Å; F392-L395 HydrophobicContact CG-CD1 4.28Å; F392-L395 HydrophobicContact CZ-CD1 4.46Å; F392-Y420 HydrophobicContact CD1-CD1 4.39Å; F392-Y420 AromaticContact CD1-CE1 3.67Å; F392-Y420 HydrophobicContact CD1-CE1 3.67Å; F392-Y420 HydrophobicContact CD1-CE2 4.11Å; F392-Y420 AromaticContact CD1-CZ 3.5Å; F392-Y420 WeakPolarHBondContact CD1-OH 3.21Å; F392-Y420 AromaticContact CE1-CD1 3.65Å; F392-Y420 HydrophobicContact CE1-CD1 3.65Å; F392-Y420 AromaticContact CE1-CD2 3.74Å; F392-Y420 HydrophobicContact CE1-CD2 3.74Å; F392-Y420 AromaticContact CE1-CE1 3.33Å; F392-Y420 HydrophobicContact CE1-CE1 3.33Å; F392-Y420 AromaticContact CE1-CE2 3.44Å; F392-Y420 HydrophobicContact CE1-CE2 3.44Å; F392-Y420 VanDerWaalsContact CE1-CE2 3.44Å; F392-Y420 AromaticContact CE1-CG 3.84Å; F392-Y420 HydrophobicContact CE1-CG 3.84Å; F392-Y420 AromaticContact CE1-CZ 3.23Å; F392-Y420 HydrophobicContact CE2-CD1 4.29Å; F392-Y420 HydrophobicContact CE2-CE1 4.36Å; F392-Y420 HydrophobicContact CG-CE1 4.34Å; F392-Y420 AromaticContact CZ-CD1 3.59Å; F392-Y420 HydrophobicContact CZ-CD1 3.59Å; F392-Y420 HydrophobicContact CZ-CD2 4.12Å; F392-Y420 AromaticContact CZ-CE1 3.72Å; F392-Y420 HydrophobicContact CZ-CE1 3.72Å; F392-Y420 HydrophobicContact CZ-CE2 4.25Å; F392-Y420 AromaticContact CZ-CG 3.8Å; F392-Y420 HydrophobicContact CZ-CG 3.8Å; F392-F422 HydrophobicContact CE2-CE1 4.48Å; F392-F422 AromaticContact CE2-CZ 3.82Å; F392-F422 HydrophobicContact CE2-CZ 3.82Å; F392-F422 HydrophobicContact CZ-CE2 4.48Å; F392-F422 AromaticContact CZ-CZ 3.81Å; F392-F422 HydrophobicContact CZ-CZ 3.81Å
393P43.3Very low42.8Very low92 Ų92133.8 Ų133.860%0.59770%0.695SS**SBendtrans-64.1121.2155-19.433.6000111.9L395P393-L395 PolarHBondContact O-N 3.24Å
394K47.5Very low41.5Very low187 Ų187131 Ų13181%0.81371%0.707SS**  trans39.245.7153.6-59.4179.3-176.8167.90120F392 K396F392-K394 PolarHBondContact O-N 3.25Å; K394-K396 PolarHBondContact O-N 3.3Å
395L44.8Very low40.3Very low49 Ų49134.3 Ų134.326%0.25773%0.73SS.*  trans-61.6103.3156.5-67.3-179.8000109.8Q332 L362 F392 P393 K397Q332-L395 HydrophobicContact CG-CD2 3.62Å; L362-L395 HydrophobicContact CB-CD1 4.03Å; L362-L395 HydrophobicContact CD1-CD1 3.96Å; L362-L395 HydrophobicContact CD2-CB 4.22Å; L362-L395 HydrophobicContact CD2-CD1 3.91Å; L362-L395 HydrophobicContact CG-CD1 4.18Å; F392-L395 HydrophobicContact CD1-CD1 3.54Å; F392-L395 HydrophobicContact CD1-CG 3.79Å; F392-L395 HydrophobicContact CE1-CD1 3.63Å; F392-L395 HydrophobicContact CE1-CG 4.21Å; F392-L395 HydrophobicContact CG-CD1 4.28Å; F392-L395 HydrophobicContact CZ-CD1 4.46Å; P393-L395 PolarHBondContact O-N 3.24Å; L395-K397 PolarHBondContact O-N 2.9Å
396K40.3Very low39.8Very low181 Ų181131.2 Ų131.279%0.78772%0.724SS**  trans-73105.1-169.4-72.8173-176.6161.30112K394 R398K394-K396 PolarHBondContact O-N 3.3Å; K396-R398 PolarHBondContact O-N 2.81Å
397K37.9Very low39.2Very low198 Ų198129.8 Ų129.886%0.86173%0.727SS**  trans-8599.2166.7-170.2174.6-174.6175.30109.9L395L395-K397 PolarHBondContact O-N 2.9Å
398R33Very low38.8Very low238 Ų238131.8 Ų131.890%0.89873%0.73SS**  trans-76.7128.8-179-151.6173.9-166.5167.64110.7K396K396-R398 PolarHBondContact O-N 2.81Å
399V34Very low38.2Very low118 Ų118129.2 Ų129.272%0.71573%0.731SS**  trans-104.4154.5173.7174.40000107.8
400P37.5Very low38Very low123 Ų123131.6 Ų131.680%0.79974%0.739SS**  trans-62.4164.8-166.9-27.837.9000116.9
401L36.3Very low37.7Very low177 Ų177129.5 Ų129.593%0.92774%0.737SS**  trans-61.4138.8-174.1-139.572.5000113.1
402G30.6Very low37.4Very low68 Ų68135.4 Ų135.470%0.70176%0.756SS**  trans177.6116.7171.600000114.5
403S30.3Very low36.8Very low136 Ų136142.5 Ų142.595%0.95179%0.789SS**  trans63.5148.8-179.7-152.50000115.9
404G35.5Very low36.8Very low72 Ų72146.9 Ų146.974%0.74280%0.802SS**  trans-136.9162.6-177.300000112.9
405S28.6Very low36.7Very low120 Ų120143.5 Ų143.584%0.83979%0.793SS**  trans-151.7145.8158-171.70000108.5
406T38Very low37.3Very low132 Ų132149.4 Ų149.481%0.8182%0.819SS**  trans-75.1136.3169.247.10000110.6
407E31.3Very low38.2Very low203 Ų203142.5 Ų142.595%0.94980%0.796SS**  trans-155.2149.7140.9-131.9167.1-142.300109.6
408S37.8Very low39.8Very low114 Ų114136.2 Ų136.280%0.79777%0.774SS**  trans-124.8120.8-164.856.20000112.1
409V31Very low42.1Very low145 Ų145129.9 Ų129.988%0.87976%0.758SS**  trans-134.3135.5161.7-176.50000108
410S37.8Very low44.4Very low103 Ų103126.3 Ų126.372%0.7273%0.732SS**  trans-88.2126.2173.4157.50000109.4
411D34.8Very low46.6Very low147 Ų147124.2 Ų124.279%0.78672%0.717SS**  trans-146139.8143.5-92.4-45.1000109.1
412K42.6Very low49Very low208 Ų208116.1 Ų116.190%0.90467%0.674SS**  trans-95.781.9170.2-74.2-173.2176.5-174.30108.4
413E39.6Very low51.6Low181 Ų181118.4 Ų118.485%0.84666%0.662SS**  trans-73135.5157.1-66.4-174.9139.400107.7
414E42.7Very low54.4Low185 Ų185112.3 Ų112.386%0.86462%0.618SS**  trans-67.8139.9171.2-67.3173.411900108.7E416E414-E416 PolarHBondContact O-N 2.78Å
415D47.3Very low56.6Low116 Ų116111.2 Ų111.262%0.6260%0.595SS**  trans-8161.4-171.6-149.232.2000110.5V334 A417V334-D415 VanDerWaalsContact CB-OD2 3.31Å; V334-D415 WeakPolarHBondContact CB-OD2 3.38Å; V334-D415 WeakPolarHBondContact CG2-OD1 3.38Å; D415-A417 PolarHBondContact O-N 2.95Å
416E55.4Low59.1Low173 Ų173107.9 Ų107.981%0.80857%0.565SS**  trans-63.5113.9-166.2-166178.3-137.900111.6E414 T418E414-E416 PolarHBondContact O-N 2.78Å; E416-T418 PolarHBondContact O-N 2.93Å; E416-T418 PolarHBondContact O-OG1 2.98Å
417A60Low60.1Low35 Ų35105.1 Ų105.129%0.28955%0.549SS..PPolyproline II helixtrans-64.3124.1-178.800000110.5H331 Q333 D415H331-A417 VanDerWaalsContact CE1-CB 3.43Å; H331-A417 WeakPolarHBondContact CE1-CB 3.49Å; Q333-A417 HydrophobicContact CG-CB 3.73Å; D415-A417 PolarHBondContact O-N 2.95Å
418T71.9Confident60.9Low66 Ų66102.2 Ų102.241%0.40554%0.541SS..EExtended strand (participates in β ladder)trans-96.3116.9-169.3-34.20000111.6Q332 E416 Y420Q332-T418 PolarHBondContact N-O 3.45Å; Q332-T418 PolarHBondContact O-N 3.38Å; E416-T418 PolarHBondContact O-N 2.93Å; E416-T418 PolarHBondContact O-OG1 2.98Å; T418-Y420 HydrophobicContact CG2-CD2 4.43Å; T418-Y420 HydrophobicContact CG2-CE2 3.51Å; T418-Y420 WeakPolarHBondContact CG2-OH 3.29Å
419D80.8Confident61.2Low105 Ų105101.8 Ų101.856%0.56154%0.537SS*.EExtended strand (participates in β ladder)trans-92.7140.5176.5-80.9-54.2000113.2H331H331-D419 VanDerWaalsContact CA-OD1 3.28Å; H331-D419 WeakPolarHBondContact CA-OD1 3.44Å; H331-D419 VanDerWaalsContact CB-OD1 3.25Å; H331-D419 WeakPolarHBondContact CB-OD1 3.25Å; H331-D419 IonicContact CE1-OD1 3.43Å; H331-D419 IonicContact CE1-OD2 3.27Å; H331-D419 IonicContact CG-OD1 2.99Å; H331-D419 VanDerWaalsContact ND1-CG 3.28Å; H331-D419 IonicContact ND1-OD1 3.1Å; H331-D419 PolarHBondContact ND1-OD1 3.4Å; H331-D419 IonicContact ND1-OD2 3.72Å; H331-D419 PolarHBondContact ND1-OD2 2.88Å
420Y82.7Confident61.5Low44 Ų44102.8 Ų102.817%0.17353%0.532CS..EExtended strand (participates in β ladder)trans-133.8137.8176-60.6-95.2000110.1C330 F392 T418C330-Y420 PolarHBondContact N-O 2.92Å; C330-Y420 PolarHBondContact O-N 2.98Å; F392-Y420 HydrophobicContact CD1-CD1 4.39Å; F392-Y420 AromaticContact CD1-CE1 3.67Å; F392-Y420 HydrophobicContact CD1-CE1 3.67Å; F392-Y420 HydrophobicContact CD1-CE2 4.11Å; F392-Y420 AromaticContact CD1-CZ 3.5Å; F392-Y420 WeakPolarHBondContact CD1-OH 3.21Å; F392-Y420 AromaticContact CE1-CD1 3.65Å; F392-Y420 HydrophobicContact CE1-CD1 3.65Å; F392-Y420 AromaticContact CE1-CD2 3.74Å; F392-Y420 HydrophobicContact CE1-CD2 3.74Å; F392-Y420 AromaticContact CE1-CE1 3.33Å; F392-Y420 HydrophobicContact CE1-CE1 3.33Å; F392-Y420 AromaticContact CE1-CE2 3.44Å; F392-Y420 HydrophobicContact CE1-CE2 3.44Å; F392-Y420 VanDerWaalsContact CE1-CE2 3.44Å; F392-Y420 AromaticContact CE1-CG 3.84Å; F392-Y420 HydrophobicContact CE1-CG 3.84Å; F392-Y420 AromaticContact CE1-CZ 3.23Å; F392-Y420 HydrophobicContact CE2-CD1 4.29Å; F392-Y420 HydrophobicContact CE2-CE1 4.36Å; F392-Y420 HydrophobicContact CG-CE1 4.34Å; F392-Y420 AromaticContact CZ-CD1 3.59Å; F392-Y420 HydrophobicContact CZ-CD1 3.59Å; F392-Y420 HydrophobicContact CZ-CD2 4.12Å; F392-Y420 AromaticContact CZ-CE1 3.72Å; F392-Y420 HydrophobicContact CZ-CE1 3.72Å; F392-Y420 HydrophobicContact CZ-CE2 4.25Å; F392-Y420 AromaticContact CZ-CG 3.8Å; F392-Y420 HydrophobicContact CZ-CG 3.8Å; T418-Y420 HydrophobicContact CG2-CD2 4.43Å; T418-Y420 HydrophobicContact CG2-CE2 3.51Å; T418-Y420 WeakPolarHBondContact CG2-OH 3.29Å
421V83.9Confident61Low79 Ų79103.1 Ų103.148%0.47953%0.534SS..EExtended strand (participates in β ladder)trans-118.4127.4174.8175.90000109.3Y327 L328Y327-V421 HydrophobicContact CD1-CG1 4.25Å; L328-V421 WeakPolarHBondContact O-CA 3.06Å
422F87Confident60.7Low7 Ų7103.1 Ų103.13%0.03154%0.535CS..EExtended strand (participates in β ladder)trans-116.2140.7174.6-59-81.3000109.8Y327 L328 C330 L365 L378 P380 L382 F392Y327-F422 CarbonylContact C-O 3.09Å; Y327-F422 VanDerWaalsContact CA-O 3.25Å; Y327-F422 WeakPolarHBondContact CA-O 3.11Å; L328-F422 HydrophobicContact CB-CB 4.45Å; L328-F422 HydrophobicContact CD1-CB 4.27Å; L328-F422 PolarHBondContact N-O 3.21Å; L328-F422 PolarHBondContact O-N 3.07Å; C330-F422 HydrophobicContact CB-CE2 4.21Å; L365-F422 HydrophobicContact CD1-CE2 3.91Å; L365-F422 HydrophobicContact CD1-CZ 4.44Å; L378-F422 HydrophobicContact CB-CD1 4.44Å; L378-F422 HydrophobicContact CD1-CD1 4.48Å; L378-F422 HydrophobicContact CD2-CB 4.46Å; P380-F422 HydrophobicContact CG-CE1 4.47Å; P380-F422 WeakPolarHBondContact O-CD1 3.31Å; L382-F422 HydrophobicContact CD2-CD1 4.24Å; L382-F422 HydrophobicContact CD2-CE1 3.52Å; L382-F422 HydrophobicContact CD2-CZ 3.71Å; F392-F422 HydrophobicContact CE2-CE1 4.48Å; F392-F422 AromaticContact CE2-CZ 3.82Å; F392-F422 HydrophobicContact CE2-CZ 3.82Å; F392-F422 HydrophobicContact CZ-CE2 4.48Å; F392-F422 AromaticContact CZ-CZ 3.81Å; F392-F422 HydrophobicContact CZ-CZ 3.81Å
423R85.4Confident60.1Low116 Ų116103.1 Ų103.144%0.43854%0.535SS..EExtended strand (participates in β ladder)trans-100.4140167.4-174.6-175.5-179.7-174.12.3109.9V326 Y327 L378 D379 I425V326-R423 HydrophobicContact CG1-CG 4.42Å; V326-R423 CarbonylContact O-C 3.29Å; V326-R423 VanDerWaalsContact O-CA 3.28Å; V326-R423 WeakPolarHBondContact O-CA 3.4Å; V326-R423 WeakPolarHBondContact O-CG 3.31Å; Y327-R423 HydrophobicContact CD1-CB 3.98Å; Y327-R423 HydrophobicContact CD1-CG 4.19Å; Y327-R423 HydrophobicContact CE1-CB 3.96Å; Y327-R423 HydrophobicContact CE1-CG 3.93Å; L378-R423 CarbonylContact C-O 3.27Å; L378-R423 WeakPolarHBondContact CA-O 3.45Å; D379-R423 HydrophobicContact CB-CB 4.35Å; D379-R423 PolarHBondContact N-O 3.28Å; D379-R423 PolarHBondContact O-N 3.32Å; R423-I425 HydrophobicContact CG-CG1 4.28Å
424I87.6Confident59.6Low8 Ų8100.8 Ų100.84%0.04153%0.533CS..EExtended strand (participates in β ladder)trans-86.8133.8166.7-45.9-172.9000109.1I325 V326 L328 L372 L378 F426I325-I424 HydrophobicContact CB-CD1 3.94Å; I325-I424 HydrophobicContact CG2-CD1 3.82Å; V326-I424 PolarHBondContact O-N 3.43Å; L328-I424 HydrophobicContact CD1-CD1 3.88Å; L328-I424 HydrophobicContact CD1-CG1 3.56Å; L372-I424 HydrophobicContact CD1-CG2 3.9Å; L372-I424 HydrophobicContact CD2-CG2 3.83Å; L378-I424 HydrophobicContact CD2-CG1 4.17Å; I424-F426 HydrophobicContact CB-CE2 4.28Å; I424-F426 HydrophobicContact CG2-CD2 4.03Å; I424-F426 HydrophobicContact CG2-CE1 4.45Å; I424-F426 HydrophobicContact CG2-CE2 3.37Å; I424-F426 HydrophobicContact CG2-CZ 3.63Å
425I81.8Confident59.3Low48 Ų4897.4 Ų97.425%0.24653%0.527CS..EExtended strand (participates in β ladder)trans-127.5126.5176.8-57.4-176.3000109.5G376 Q377 D379 R423G376-I425 CarbonylContact C-O 3.55Å; G376-I425 WeakPolarHBondContact CA-O 3.43Å; Q377-I425 HydrophobicContact CG-CB 4.36Å; Q377-I425 PolarHBondContact N-O 3.23Å; Q377-I425 PolarHBondContact O-N 3.03Å; D379-I425 HydrophobicContact CB-CD1 3.56Å; D379-I425 HydrophobicContact CB-CG1 4.17Å; R423-I425 HydrophobicContact CG-CG1 4.28Å
426F81.7Confident58.6Low51 Ų5197.4 Ų97.422%0.22453%0.533CS..  trans-113.5122.2173.5-60.9-88.8000110E323 L372 H375 I424 N428 S429E323-F426 HydrophobicContact CG-CE1 4.39Å; E323-F426 HydrophobicContact CG-CZ 4.2Å; L372-F426 HydrophobicContact CD2-CE1 3.59Å; L372-F426 HydrophobicContact CD2-CZ 3.71Å; H375-F426 WeakPolarHBondContact O-CD1 3.31Å; I424-F426 HydrophobicContact CB-CE2 4.28Å; I424-F426 HydrophobicContact CG2-CD2 4.03Å; I424-F426 HydrophobicContact CG2-CE1 4.45Å; I424-F426 HydrophobicContact CG2-CE2 3.37Å; I424-F426 HydrophobicContact CG2-CZ 3.63Å; F426-N428 VanDerWaalsContact C-N 3.31Å; F426-N428 PolarHBondContact O-N 2.97Å; F426-S429 PolarHBondContact O-N 3.45Å
427P58.1Low57.7Low73 Ų7395.2 Ų95.247%0.47453%0.534SS..G310 helixtrans-62.9-31.9-173.6-25.636.6000114.4H375 S429 Q430H375-P427 VanDerWaalsContact C-CD 3.45Å; H375-P427 WeakPolarHBondContact O-CD 3.35Å; P427-S429 PolarHBondContact O-N 3.34Å; P427-Q430 PolarHBondContact O-N 3.48Å
428N48.9Very low56.5Low143 Ų143101.3 Ų101.377%0.76556%0.562SS**G310 helixtrans-66.4-7.4-178-67.91.3000113.6F426 Q430F426-N428 VanDerWaalsContact C-N 3.31Å; F426-N428 PolarHBondContact O-N 2.97Å; N428-Q430 VanDerWaalsContact C-N 3.31Å
429S43.7Very low54.5Low104 Ų104106.1 Ų106.173%0.72758%0.584SS**G310 helixtrans-82.81170.9-62.10000114.1F426 P427F426-S429 PolarHBondContact O-N 3.45Å; P427-S429 PolarHBondContact O-N 3.34Å
430Q36.9Very low52.1Low167 Ų167109.3 Ų109.378%0.7860%0.598SS**  trans-126.3101.4172.8-68.2-169.738.700111.9P427 N428P427-Q430 PolarHBondContact O-N 3.48Å; N428-Q430 VanDerWaalsContact C-N 3.31Å
431S28.8Very low49.5Very low109 Ų109113.4 Ų113.476%0.76262%0.623SS**  trans-79.9141.8160.353.20000110.8
432D28.1Very low46.7Very low148 Ų148117.9 Ų117.979%0.79164%0.639SS**  trans77.264.7169.3-61.3-8.2000119
433F29.9Very low43.8Very low207 Ų207121.6 Ų121.691%0.90868%0.678SS**  trans-140.6126.5137.2-102.4-76.6000112
434V29.3Very low41Very low132 Ų132120.6 Ų120.680%0.870%0.695SS**PPolyproline II helixtrans-102.1128.8173.9178.40000109
435P36.4Very low38.2Very low114 Ų114124.4 Ų124.474%0.7473%0.728SS**PPolyproline II helixtrans-84.1138.7-176.232.1-34.6000113.3
436P31.7Very low35.6Very low117 Ų117128.3 Ų128.376%0.7675%0.749SS**PPolyproline II helixtrans-74.8159.9156.6-12.930.2000111.7
437P36.2Very low33Very low127 Ų127135 Ų13583%0.82577%0.772SS**PPolyproline II helixtrans-83.8163.1-168.133.7-37.4000115.5
438D36.4Very low31.4Very low162 Ų162139.3 Ų139.387%0.86679%0.786SS**PPolyproline II helixtrans-54.6145.3176.3-69.9-75.1000115.1
439L29.1Very low30.4Very low168 Ų168138.6 Ų138.688%0.8879%0.789SS**  trans-146.788.2155.1-119.7173.2000112.5
440M29.7Very low29.5Very low172 Ų172138.9 Ų138.985%0.84779%0.792SS**  trans29.6107.5152.7-73.2-176.9159.100121.4
441D28Very low29.1Very low130 Ų130138.3 Ų138.370%0.69579%0.793SS**  85.4156.8108.7-158.831.4000121.4
442Q26.9Very low29Very low173 Ų173143.7 Ų143.781%0.80880%0.797SS**  trans61.5120.4167-80.6163.570.800119.8
443G25.6Very low28.9Very low84 Ų84145.3 Ų145.387%0.86680%0.797SS**  trans154.356.4170.300000115
444A27.1Very low28.7Very low96 Ų96141.6 Ų141.679%0.79379%0.791SS**  trans-81.3161.2177.600000112.8
445A29Very low28.5Very low88 Ų88140.6 Ų140.673%0.72779%0.79SS**  trans75.1146.8156.700000118.2
446L26.9Very low28Very low130 Ų130141.2 Ų141.268%0.68180%0.796SS**  cis-165.7170.5-7.7-115.1170.8000112.3
447W26.6Very low27.7Very low191 Ų191141.6 Ų141.672%0.72380%0.801SS**  trans67103.9158-61.9124.2000122.1
448Q25.1Very low27.4Very low163 Ų163141.1 Ų141.176%0.76280%0.801SS**  32.7138.4122-69.3-179.6-15.900122.3
449P27.1Very low26.9Very low128 Ų128139.3 Ų139.383%0.83180%0.799SS**  trans-93.8142159.936-29.8000113
450S24.9Very low27Very low111 Ų111136 Ų13678%0.77679%0.79SS**  trans-148.2129.7153.277.90000113.7
451L28Very low27.2Very low154 Ų154138 Ų13881%0.80679%0.794SS**  trans39.8103.7142.1-77.9156.6000120.2
452R27.2Very low27.2Very low223 Ų223135.4 Ų135.484%0.84280%0.798SS**  176.7133.496.5-94162.7-171.7-159.63115.6
453K26.7Very low27.4Very low182 Ų182134.4 Ų134.479%0.79180%0.799SS**  trans51.7144140.3-64.1-171.7174.5-172.30122.1
454T25.3Very low27.8Very low128 Ų128136.9 Ų136.979%0.78580%0.796SS**  trans62.6129.5150.843.60000117.8
455S24.6Very low28Very low112 Ų112137.7 Ų137.778%0.78380%0.797SS**  cis-157.3173.315-88.30000112.3
456C25.8Very low28.1Very low127 Ų127141.2 Ų141.286%0.85880%0.803SS**  trans-63.2149.6176.7-54.70000114.4
457S25Very low28.3Very low124 Ų124138.2 Ų138.287%0.86780%0.803SS**  -165.5153.6125.1440000111.2
458S29.9Very low28.4Very low118 Ų118133.6 Ų133.683%0.82581%0.806SS**  trans-113.2132.8-174.7-52.20000112.3
459C25.6Very low29.2Very low123 Ų123131 Ų13183%0.83181%0.812SS**  trans-164.8129.6145.946.30000108.6
460S31.1Very low29.3Very low100 Ų100133.4 Ų133.470%0.69981%0.812SS**  cis97.3107.932.6-74.40000114.8
461K35.3Very low30.2Very low212 Ų212138.2 Ų138.292%0.92282%0.819SS**  trans73.1141.8154.8-54.7172.8-177.4177.30118
462G28.2Very low30.7Very low76 Ų76134.6 Ų134.678%0.78482%0.819SS**  trans173.1103.6173.300000111.6
463N29.8Very low30.9Very low153 Ų153129.3 Ų129.382%0.81882%0.815SS**  trans-86.8145.6-168.6-78.52.8000114.6
464V33.9Very low31.2Very low135 Ų135126.7 Ų126.782%0.81881%0.81SS**  trans43.9120.7131.1-177.50000119.5
465S31.3Very low31.8Very low114 Ų114130.6 Ų130.680%0.79781%0.812SS**  -162.4130.3116.3-1590000114.5
466D30.7Very low32.6Very low161 Ų161133 Ų13386%0.86181%0.811SS**  trans24.2150.9147.2-1485.8000124.1
467G31.9Very low33.3Very low67 Ų67136.1 Ų136.169%0.69180%0.804SS**  109.327.5129.800000122.6
468A28.2Very low34.2Very low94 Ų94134.5 Ų134.578%0.77779%0.789SS**  trans-146131.9169.100000115
469A41.6Very low35.3Very low108 Ų108133 Ų13389%0.89378%0.776SS**  trans-91.6103.7178.300000111.8
470H31.2Very low36.4Very low180 Ų180132.1 Ų132.183%0.83376%0.763SS**  trans-121.9124.5169.9-97.4-96000112.2
471K41.9Very low37.5Very low211 Ų211133.8 Ų133.892%0.91776%0.758SS**  trans-71.9127.2159.2-70.9178.4177.41770108
472G38.8Very low38.2Very low79 Ų79128.8 Ų128.881%0.81474%0.74SS**  trans137.577.2162.900000116.2
473C31.4Very low39.1Very low111 Ų111129.7 Ų129.775%0.7573%0.727SS**  trans-154.5106144-167.30000109.2
474N33.3Very low40Very low128 Ų128125.6 Ų125.668%0.68471%0.71SS**  trans-158.715.4173.4-126-5.6000113.6
475Y38.1Very low40.7Very low209 Ų209121.4 Ų121.482%0.8268%0.683SS**SBendtrans-92.6-18.2-175.1-86.6-83.3000114.3T478Y475-T478 PolarHBondContact O-OG1 2.62Å
476E41.9Very low41.5Very low164 Ų164119.7 Ų119.777%0.76667%0.665SS**SBendtrans-85.6-15.4-179.2-63.6-173.2142.700114.4
477R40.2Very low42.3Very low192 Ų192116.7 Ų116.773%0.72565%0.646SS**Hα-helixtrans-81-21.4177-97.9-175.9176.2142.90.6113.8K481R477-K481 VanDerWaalsContact O-CB 3.27Å; R477-K481 WeakPolarHBondContact O-CB 3.34Å; R477-K481 PolarHBondContact O-N 3.3Å
478T44Very low43.2Very low89 Ų89117.4 Ų117.455%0.54663%0.631SS.*Hα-helixtrans-60.7-49.6-179.6-2.60000112.8Y475 K481 L482Y475-T478 PolarHBondContact O-OG1 2.62Å; T478-K481 PolarHBondContact O-N 2.79Å; T478-L482 VanDerWaalsContact O-CB 3.26Å; T478-L482 WeakPolarHBondContact O-CB 3.33Å; T478-L482 PolarHBondContact O-N 3.07Å
479P52.5Low44.1Very low86 Ų86117.3 Ų117.356%0.55861%0.611SS**Hα-helixtrans-62.2-45.3176.9-23.734.6000113.1L482 L483P479-L482 PolarHBondContact O-N 3.1Å; P479-L483 WeakPolarHBondContact O-CB 3.41Å; P479-L483 PolarHBondContact O-N 3.32Å
480L50.2Low44.3Very low106 Ų106117.6 Ų117.656%0.55559%0.593SS**Hα-helixtrans-67.7-39.9179.9-176.761.6000111.9L483 C484L480-L483 PolarHBondContact O-N 2.85Å; L480-C484 PolarHBondContact O-N 3.32Å; L480-C484 PolarHBondContact O-SG 3Å
481K53.1Low45.3Very low135 Ų135114.3 Ų114.359%0.58758%0.581SS**Hα-helixtrans-63.5-46.2174.3-166.8-165.3176.1-100.70110.8R477 T478 L483 C484 D485R477-K481 VanDerWaalsContact O-CB 3.27Å; R477-K481 WeakPolarHBondContact O-CB 3.34Å; R477-K481 PolarHBondContact O-N 3.3Å; T478-K481 PolarHBondContact O-N 2.79Å; K481-L483 VanDerWaalsContact C-N 3.27Å; K481-L483 PolarHBondContact O-N 2.7Å; K481-C484 PolarHBondContact O-N 3.35Å; K481-D485 WeakPolarHBondContact CE-OD2 3.2Å; K481-D485 IonicContact NZ-OD2 3.93Å; K481-D485 PolarHBondContact NZ-OD2 2.94Å; K481-D485 WeakPolarHBondContact O-CB 3.36Å; K481-D485 PolarHBondContact O-N 2.99Å
482L49.9Very low45.7Very low106 Ų106108 Ų10856%0.55556%0.556SS**Hα-helixtrans-61.6-36.4177.5-175.863.2000111.7T478 P479 N486T478-L482 VanDerWaalsContact O-CB 3.26Å; T478-L482 WeakPolarHBondContact O-CB 3.33Å; T478-L482 PolarHBondContact O-N 3.07Å; P479-L482 PolarHBondContact O-N 3.1Å; L482-N486 VanDerWaalsContact O-CB 3.23Å; L482-N486 WeakPolarHBondContact O-CB 3.37Å; L482-N486 VanDerWaalsContact O-CG 3.31Å; L482-N486 PolarHBondContact O-N 2.79Å; L482-N486 PolarHBondContact O-ND2 3.48Å
483L47.2Very low46.1Very low96 Ų96106.5 Ų106.550%0.50353%0.534SS..Hα-helixtrans-65.6-48.3172.2-179.262000111.7P479 L480 K481 D485 N486 M487P479-L483 WeakPolarHBondContact O-CB 3.41Å; P479-L483 PolarHBondContact O-N 3.32Å; L480-L483 PolarHBondContact O-N 2.85Å; K481-L483 VanDerWaalsContact C-N 3.27Å; K481-L483 PolarHBondContact O-N 2.7Å; L483-D485 PolarHBondContact O-N 3.43Å; L483-N486 PolarHBondContact O-N 3.14Å; L483-M487 HydrophobicContact CD1-CG 4.3Å; L483-M487 HydrophobicContact CD1-SD 4.31Å; L483-M487 HydrophobicContact CG-SD 4.13Å; L483-M487 WeakPolarHBondContact O-CB 3.21Å; L483-M487 VanDerWaalsContact O-CG 3.28Å; L483-M487 WeakPolarHBondContact O-CG 3.48Å; L483-M487 PolarHBondContact O-N 3.18Å
484C49.1Very low47Very low67 Ų67110.1 Ų110.145%0.45353%0.531SS..Hα-helixtrans-63.5-40.5177.4-67.80000112.7L480 K481 M487 K488L480-C484 PolarHBondContact O-N 3.32Å; L480-C484 PolarHBondContact O-SG 3Å; K481-C484 PolarHBondContact O-N 3.35Å; C484-M487 PolarHBondContact O-N 2.9Å; C484-K488 VanDerWaalsContact O-CB 3.27Å; C484-K488 WeakPolarHBondContact O-CB 3.33Å; C484-K488 PolarHBondContact O-N 3.41Å
485D48.2Very low47.9Very low47 Ų47107.1 Ų107.125%0.25153%0.525SS..Hα-helixtrans-65.4-45.8175.1-73.6-28.5000110.1K481 L483 M487 K488 Y489K481-D485 WeakPolarHBondContact CE-OD2 3.2Å; K481-D485 IonicContact NZ-OD2 3.93Å; K481-D485 PolarHBondContact NZ-OD2 2.94Å; K481-D485 WeakPolarHBondContact O-CB 3.36Å; K481-D485 PolarHBondContact O-N 2.99Å; L483-D485 PolarHBondContact O-N 3.43Å; D485-M487 PolarHBondContact O-N 3Å; D485-K488 WeakPolarHBondContact O-CB 3.38Å; D485-K488 PolarHBondContact O-N 3.13Å; D485-Y489 WeakPolarHBondContact O-CD2 3.39Å; D485-Y489 PolarHBondContact O-N 2.6Å
486N48.4Very low48.5Very low78 Ų7899.9 Ų99.942%0.41750%0.498SS..Hα-helixtrans-60.6-44.4173.9-83.8-43.4000112.9L482 L483 K488 Y489 Q490L482-N486 VanDerWaalsContact O-CB 3.23Å; L482-N486 WeakPolarHBondContact O-CB 3.37Å; L482-N486 VanDerWaalsContact O-CG 3.31Å; L482-N486 PolarHBondContact O-N 2.79Å; L482-N486 PolarHBondContact O-ND2 3.48Å; L483-N486 PolarHBondContact O-N 3.14Å; N486-K488 VanDerWaalsContact C-N 3.31Å; N486-K488 PolarHBondContact O-N 3.17Å; N486-Y489 PolarHBondContact O-N 2.79Å; N486-Q490 WeakPolarHBondContact O-CB 3.49Å; N486-Q490 WeakPolarHBondContact O-CG 3.5Å; N486-Q490 PolarHBondContact O-N 3.17Å
487M48.2Very low48.9Very low97 Ų9798.6 Ų98.648%0.47849%0.487SS..Hα-helixtrans-61.2-41.6175-73.4176.773.300111L483 C484 D485 Q490 I491L483-M487 HydrophobicContact CD1-CG 4.3Å; L483-M487 HydrophobicContact CD1-SD 4.31Å; L483-M487 HydrophobicContact CG-SD 4.13Å; L483-M487 WeakPolarHBondContact O-CB 3.21Å; L483-M487 VanDerWaalsContact O-CG 3.28Å; L483-M487 WeakPolarHBondContact O-CG 3.48Å; L483-M487 PolarHBondContact O-N 3.18Å; C484-M487 PolarHBondContact O-N 2.9Å; D485-M487 PolarHBondContact O-N 3Å; M487-Q490 PolarHBondContact O-N 2.95Å; M487-I491 WeakPolarHBondContact O-CB 3.27Å; M487-I491 WeakPolarHBondContact O-CD1 3.48Å; M487-I491 WeakPolarHBondContact O-CG1 3.47Å; M487-I491 PolarHBondContact O-N 3.28Å
488K50.1Low49.5Very low83 Ų8391.4 Ų91.436%0.36147%0.472SS..Hα-helixtrans-62.1-45.2174.5179-175.1174.9-170.80111.6C484 D485 N486 I491 I492C484-K488 VanDerWaalsContact O-CB 3.27Å; C484-K488 WeakPolarHBondContact O-CB 3.33Å; C484-K488 PolarHBondContact O-N 3.41Å; D485-K488 WeakPolarHBondContact O-CB 3.38Å; D485-K488 PolarHBondContact O-N 3.13Å; N486-K488 VanDerWaalsContact C-N 3.31Å; N486-K488 PolarHBondContact O-N 3.17Å; K488-I491 PolarHBondContact O-N 3.33Å; K488-I492 HydrophobicContact CG-CD1 3.84Å; K488-I492 WeakPolarHBondContact O-CB 3.44Å; K488-I492 VanDerWaalsContact O-CG1 3.25Å; K488-I492 WeakPolarHBondContact O-CG1 3.36Å; K488-I492 PolarHBondContact O-N 3.42Å
489Y46Very low50.4Low92 Ų9291.9 Ų91.936%0.36146%0.464SS..Hα-helixtrans-62.6-41.9174.3-77.9-68.7000111.9D485 N486 S493D485-Y489 WeakPolarHBondContact O-CD2 3.39Å; D485-Y489 PolarHBondContact O-N 2.6Å; N486-Y489 PolarHBondContact O-N 2.79Å; Y489-S493 WeakPolarHBondContact O-CB 3.37Å; Y489-S493 PolarHBondContact O-N 3.48Å
490Q46.2Very low50.3Low113 Ų11389.2 Ų89.253%0.52845%0.445SS..Hα-helixtrans-67.8-37.7176.9-74.2-173.93.800113.3N486 M487 R494N486-Q490 WeakPolarHBondContact O-CB 3.49Å; N486-Q490 WeakPolarHBondContact O-CG 3.5Å; N486-Q490 PolarHBondContact O-N 3.17Å; M487-Q490 PolarHBondContact O-N 2.95Å; Q490-R494 VanDerWaalsContact O-CB 3.28Å; Q490-R494 WeakPolarHBondContact O-CB 3.39Å; Q490-R494 WeakPolarHBondContact O-CG 3.3Å; Q490-R494 PolarHBondContact O-N 3.32Å
491I53.3Low50.4Low112 Ų11286.9 Ų86.957%0.57444%0.441SS*.Hα-helixtrans-67.2-47.5175.4-70.7163.1000110.2M487 K488 S493 R494 A495M487-I491 WeakPolarHBondContact O-CB 3.27Å; M487-I491 WeakPolarHBondContact O-CD1 3.48Å; M487-I491 WeakPolarHBondContact O-CG1 3.47Å; M487-I491 PolarHBondContact O-N 3.28Å; K488-I491 PolarHBondContact O-N 3.33Å; I491-S493 VanDerWaalsContact C-N 3.34Å; I491-S493 PolarHBondContact O-N 2.7Å; I491-R494 PolarHBondContact O-N 2.84Å; I491-A495 VanDerWaalsContact O-CB 3.27Å; I491-A495 WeakPolarHBondContact O-CB 3.35Å; I491-A495 PolarHBondContact O-N 3.45Å
492I50.5Low50.5Low77 Ų7787 Ų8740%0.39544%0.439SS..Hα-helixtrans-62.9-42.4176.6-68169.2000110.5K488 A495 F496K488-I492 HydrophobicContact CG-CD1 3.84Å; K488-I492 WeakPolarHBondContact O-CB 3.44Å; K488-I492 VanDerWaalsContact O-CG1 3.25Å; K488-I492 WeakPolarHBondContact O-CG1 3.36Å; K488-I492 PolarHBondContact O-N 3.42Å; I492-A495 PolarHBondContact O-N 2.94Å; I492-F496 WeakPolarHBondContact O-CB 3.36Å; I492-F496 PolarHBondContact O-N 2.91Å
493S45.9Very low50.8Low49 Ų4984 Ų8434%0.34343%0.426SS..Hα-helixtrans-64.2-47.1177.3174.70000112.2Y489 I491 F496 Y497Y489-S493 WeakPolarHBondContact O-CB 3.37Å; Y489-S493 PolarHBondContact O-N 3.48Å; I491-S493 VanDerWaalsContact C-N 3.34Å; I491-S493 PolarHBondContact O-N 2.7Å; S493-F496 PolarHBondContact O-N 2.84Å; S493-Y497 WeakPolarHBondContact O-CB 3.47Å; S493-Y497 VanDerWaalsContact O-CD2 3.23Å; S493-Y497 WeakPolarHBondContact O-CD2 3.25Å; S493-Y497 PolarHBondContact O-N 2.83Å; S493-Y497 VanDerWaalsContact OG-CD2 3.29Å; S493-Y497 WeakPolarHBondContact OG-CD2 3.4Å; S493-Y497 VanDerWaalsContact OG-CE2 3.29Å; S493-Y497 WeakPolarHBondContact OG-CE2 3.31Å
494R51.4Low51.3Low186 Ų18687 Ų8770%0.70243%0.431SS*.Hα-helixtrans-63.6-42.4175.9-81.7-178.414788.61.7112.1Q490 I491 G498Q490-R494 VanDerWaalsContact O-CB 3.28Å; Q490-R494 WeakPolarHBondContact O-CB 3.39Å; Q490-R494 WeakPolarHBondContact O-CG 3.3Å; Q490-R494 PolarHBondContact O-N 3.32Å; I491-R494 PolarHBondContact O-N 2.84Å; R494-G498 WeakPolarHBondContact O-CA 3.46Å; R494-G498 PolarHBondContact O-N 3.26Å
495A50.9Low51.8Low66 Ų6688.2 Ų88.255%0.54543%0.43SS..Hα-helixtrans-64.2-40.617500000111.8I491 I492 W499I491-A495 VanDerWaalsContact O-CB 3.27Å; I491-A495 WeakPolarHBondContact O-CB 3.35Å; I491-A495 PolarHBondContact O-N 3.45Å; I492-A495 PolarHBondContact O-N 2.94Å; A495-W499 WeakPolarHBondContact O-CB 3.3Å; A495-W499 PolarHBondContact O-N 3.31Å
496F51.2Low52.4Low57 Ų5787.4 Ų87.425%0.2543%0.425CS..Hα-helixtrans-69.9-47.6179.2-179.6-101.4000112.7M26 I492 S493 W499 L500M26-F496 HydrophobicContact CE-CZ 4.16Å; M26-F496 HydrophobicContact CG-CZ 4.23Å; I492-F496 WeakPolarHBondContact O-CB 3.36Å; I492-F496 PolarHBondContact O-N 2.91Å; S493-F496 PolarHBondContact O-N 2.84Å; F496-W499 HydrophobicContact CD2-CE3 4.25Å; F496-W499 HydrophobicContact CE2-CE3 4.26Å; F496-W499 HydrophobicContact CE2-CZ3 4.14Å; F496-W499 PolarHBondContact O-N 3.04Å; F496-L500 WeakPolarHBondContact O-CB 3.31Å; F496-L500 PolarHBondContact O-N 3.38Å
497Y51.4Low53Low136 Ų13686.6 Ų86.653%0.53343%0.426SS..Hα-helixtrans-72.5-31.7177.5-70.2-55.9000112.5S493 L500 A501S493-Y497 WeakPolarHBondContact O-CB 3.47Å; S493-Y497 VanDerWaalsContact O-CD2 3.23Å; S493-Y497 WeakPolarHBondContact O-CD2 3.25Å; S493-Y497 PolarHBondContact O-N 2.83Å; S493-Y497 VanDerWaalsContact OG-CD2 3.29Å; S493-Y497 WeakPolarHBondContact OG-CD2 3.4Å; S493-Y497 VanDerWaalsContact OG-CE2 3.29Å; S493-Y497 WeakPolarHBondContact OG-CE2 3.31Å; Y497-L500 HydrophobicContact CD1-CD2 4.07Å; Y497-L500 HydrophobicContact CE1-CD2 4.47Å; Y497-L500 PolarHBondContact O-N 3.13Å; Y497-A501 VanDerWaalsContact O-CB 3.31Å; Y497-A501 WeakPolarHBondContact O-CB 3.34Å; Y497-A501 PolarHBondContact O-N 3.23Å
498G52.2Low53.7Low41 Ų4185.8 Ų85.842%0.42343%0.426SS..Hα-helixtrans-63.5-44.9169.100000111.9R494 A501 Y502R494-G498 WeakPolarHBondContact O-CA 3.46Å; R494-G498 PolarHBondContact O-N 3.26Å; G498-A501 PolarHBondContact O-N 2.95Å; G498-Y502 WeakPolarHBondContact O-CB 3.36Å; G498-Y502 PolarHBondContact O-N 3.15Å
499W63.2Low54.4Low99 Ų9982.5 Ų82.538%0.37541%0.413SS..Hα-helixtrans-63.1-39.9172.1176.169.7000112.4K23 A495 F496 Y502 C503K23-W499 HydrophobicContact CG-CH2 4.4Å; A495-W499 WeakPolarHBondContact O-CB 3.3Å; A495-W499 PolarHBondContact O-N 3.31Å; F496-W499 HydrophobicContact CD2-CE3 4.25Å; F496-W499 HydrophobicContact CE2-CE3 4.26Å; F496-W499 HydrophobicContact CE2-CZ3 4.14Å; F496-W499 PolarHBondContact O-N 3.04Å; W499-Y502 PolarHBondContact O-N 3.1Å; W499-C503 VanDerWaalsContact CE2-SG 3.52Å; W499-C503 PolarHBondContact NE1-SG 3.33Å; W499-C503 VanDerWaalsContact NE1-SG 3.42Å; W499-C503 WeakPolarHBondContact O-CB 3.38Å; W499-C503 PolarHBondContact O-N 3.26Å; W499-C503 PolarHBondContact O-SG 3.4Å
500L50.4Low55.5Low30 Ų3080.8 Ų80.816%0.15741%0.406CS..Hα-helixtrans-64.7-41.4176.2-165.372.6000111.8V30 F496 Y497 C503 R504V30-L500 HydrophobicContact CG2-CD1 3.74Å; F496-L500 WeakPolarHBondContact O-CB 3.31Å; F496-L500 PolarHBondContact O-N 3.38Å; Y497-L500 HydrophobicContact CD1-CD2 4.07Å; Y497-L500 HydrophobicContact CE1-CD2 4.47Å; Y497-L500 PolarHBondContact O-N 3.13Å; L500-C503 PolarHBondContact O-N 2.7Å; L500-R504 WeakPolarHBondContact O-CB 3.32Å; L500-R504 WeakPolarHBondContact O-CG 3.49Å; L500-R504 PolarHBondContact O-N 2.85Å
501A51.9Low56.7Low58 Ų5880.1 Ų80.148%0.47941%0.41SS..Hα-helixtrans-65.4-44174.400000111.3Y497 G498 R504 H505Y497-A501 VanDerWaalsContact O-CB 3.31Å; Y497-A501 WeakPolarHBondContact O-CB 3.34Å; Y497-A501 PolarHBondContact O-N 3.23Å; G498-A501 PolarHBondContact O-N 2.95Å; A501-R504 PolarHBondContact O-N 2.95Å; A501-H505 WeakPolarHBondContact O-CB 3.35Å; A501-H505 PolarHBondContact O-N 3.35Å
502Y54.7Low57.6Low138 Ų13880.1 Ų80.154%0.54141%0.407SS..Hα-helixtrans-59.5-45.5173.8176-105.8000112.2G498 W499 R504 H505 L506G498-Y502 WeakPolarHBondContact O-CB 3.36Å; G498-Y502 PolarHBondContact O-N 3.15Å; W499-Y502 PolarHBondContact O-N 3.1Å; Y502-R504 PolarHBondContact O-N 2.59Å; Y502-H505 PolarHBondContact O-N 3.33Å; Y502-L506 HydrophobicContact CD1-CD1 4.01Å; Y502-L506 HydrophobicContact CE1-CD1 3.41Å; Y502-L506 VanDerWaalsContact CE1-CD1 3.41Å; Y502-L506 HydrophobicContact CE1-CG 4.34Å; Y502-L506 HydrophobicContact CE2-CD1 4.15Å; Y502-L506 HydrophobicContact CE2-CG 4.31Å; Y502-L506 VanDerWaalsContact CZ-CD1 3.49Å; Y502-L506 WeakPolarHBondContact O-CB 3.23Å; Y502-L506 PolarHBondContact O-N 3.08Å
503C55.7Low59.1Low42 Ų4276.6 Ų76.628%0.28439%0.389SS..Hα-helixtrans-64.3-38.2175.5-73.10000112.7W499 L500 S507W499-C503 VanDerWaalsContact CE2-SG 3.52Å; W499-C503 PolarHBondContact NE1-SG 3.33Å; W499-C503 VanDerWaalsContact NE1-SG 3.42Å; W499-C503 WeakPolarHBondContact O-CB 3.38Å; W499-C503 PolarHBondContact O-N 3.26Å; W499-C503 PolarHBondContact O-SG 3.4Å; L500-C503 PolarHBondContact O-N 2.7Å; C503-S507 WeakPolarHBondContact O-CB 3.37Å; C503-S507 PolarHBondContact O-N 3.24Å
504R58.3Low60.9Low158 Ų15876.2 Ų76.260%0.59639%0.386SS*.Hα-helixtrans-67.1-44.9174-74.8177.367.9154.61.6111.7V30 L500 A501 Y502 S507 T508V30-R504 HydrophobicContact CG1-CG 3.86Å; L500-R504 WeakPolarHBondContact O-CB 3.32Å; L500-R504 WeakPolarHBondContact O-CG 3.49Å; L500-R504 PolarHBondContact O-N 2.85Å; A501-R504 PolarHBondContact O-N 2.95Å; Y502-R504 PolarHBondContact O-N 2.59Å; R504-S507 WeakPolarHBondContact O-CB 3.05Å; R504-S507 PolarHBondContact O-N 2.92Å; R504-S507 VanDerWaalsContact O-N 3.14Å; R504-T508 PolarHBondContact O-N 2.97Å; R504-T508 PolarHBondContact O-OG1 3.49Å
505H60.2Low62.6Low94 Ų9470.6 Ų70.644%0.43538%0.38SS..Hα-helixtrans-59.6-50.5175177.170.9000110.8A501 Y502 S507 T508 V509A501-H505 WeakPolarHBondContact O-CB 3.35Å; A501-H505 PolarHBondContact O-N 3.35Å; Y502-H505 PolarHBondContact O-N 3.33Å; H505-S507 PolarHBondContact O-N 3.3Å; H505-T508 PolarHBondContact O-N 3.3Å; H505-T508 VanDerWaalsContact O-N 3.16Å; H505-V509 VanDerWaalsContact O-CB 3.26Å; H505-V509 WeakPolarHBondContact O-CB 3.37Å; H505-V509 WeakPolarHBondContact O-CG2 3.31Å; H505-V509 PolarHBondContact O-N 3.1Å
506L60.7Low64.4Low30 Ų3067.6 Ų67.616%0.15736%0.355CS..Hα-helixtrans-57.5-33.1172.7-91178.9000113.4Y502 V509 R510Y502-L506 HydrophobicContact CD1-CD1 4.01Å; Y502-L506 HydrophobicContact CE1-CD1 3.41Å; Y502-L506 VanDerWaalsContact CE1-CD1 3.41Å; Y502-L506 HydrophobicContact CE1-CG 4.34Å; Y502-L506 HydrophobicContact CE2-CD1 4.15Å; Y502-L506 HydrophobicContact CE2-CG 4.31Å; Y502-L506 VanDerWaalsContact CZ-CD1 3.49Å; Y502-L506 WeakPolarHBondContact O-CB 3.23Å; Y502-L506 PolarHBondContact O-N 3.08Å; L506-V509 HydrophobicContact CD2-CG1 4.49Å; L506-R510 WeakPolarHBondContact O-CB 3.38Å; L506-R510 VanDerWaalsContact O-CG 3.28Å; L506-R510 WeakPolarHBondContact O-CG 3.32Å; L506-R510 PolarHBondContact O-N 3.45Å
507S60.5Low66.4Low61 Ų6165.2 Ų65.243%0.42735%0.345SS..Hα-helixtrans-68.4-47.8175.3-166.10000111.1C503 R504 H505 R510 T511C503-S507 WeakPolarHBondContact O-CB 3.37Å; C503-S507 PolarHBondContact O-N 3.24Å; R504-S507 WeakPolarHBondContact O-CB 3.05Å; R504-S507 PolarHBondContact O-N 2.92Å; R504-S507 VanDerWaalsContact O-N 3.14Å; H505-S507 PolarHBondContact O-N 3.3Å; S507-R510 PolarHBondContact O-N 3.4Å; S507-T511 PolarHBondContact O-N 3.2Å; S507-T511 PolarHBondContact O-OG1 3.49Å; S507-T511 VanDerWaalsContact O-OG1 3.06Å
508T62.9Low68.2Low79 Ų7961.1 Ų61.149%0.48533%0.332SS..Hα-helixtrans-60.7-49.1175-62.60000111R504 H505 R510 T511 H512R504-T508 PolarHBondContact O-N 2.97Å; R504-T508 PolarHBondContact O-OG1 3.49Å; H505-T508 PolarHBondContact O-N 3.3Å; H505-T508 VanDerWaalsContact O-N 3.16Å; T508-R510 PolarHBondContact O-N 2.87Å; T508-T511 WeakPolarHBondContact O-CB 3.18Å; T508-T511 PolarHBondContact O-N 3.09Å; T508-T511 VanDerWaalsContact O-N 3.12Å; T508-H512 PolarHBondContact O-CD2 3.39Å; T508-H512 VanDerWaalsContact O-CD2 3.24Å; T508-H512 PolarHBondContact O-N 2.93Å
509V64Low69.7Low14 Ų1464.5 Ų64.59%0.08534%0.337CS..Hα-helixtrans-52.2-52.4174.8152.30000111.7H505 L506 T511 H512 L513 I978H505-V509 VanDerWaalsContact O-CB 3.26Å; H505-V509 WeakPolarHBondContact O-CB 3.37Å; H505-V509 WeakPolarHBondContact O-CG2 3.31Å; H505-V509 PolarHBondContact O-N 3.1Å; L506-V509 HydrophobicContact CD2-CG1 4.49Å; V509-T511 VanDerWaalsContact C-N 3.32Å; V509-T511 PolarHBondContact O-N 3.04Å; V509-H512 PolarHBondContact O-N 2.81Å; V509-L513 HydrophobicContact CG1-CD1 4.07Å; V509-L513 HydrophobicContact CG1-CG 4.48Å; V509-L513 WeakPolarHBondContact O-CB 3.49Å; V509-L513 WeakPolarHBondContact O-CG 3.31Å; V509-L513 PolarHBondContact O-N 2.95Å; V509-I978 HydrophobicContact CB-CD1 4.18Å; V509-I978 HydrophobicContact CG1-CD1 3.74Å; V509-I978 HydrophobicContact CG1-CG1 4.11Å; V509-I978 HydrophobicContact CG1-CG2 3.94Å; V509-I978 HydrophobicContact CG2-CD1 3.7Å; V509-I978 HydrophobicContact CG2-CG1 3.85Å
510R70.1Confident70.7Confident56 Ų5663 Ų6321%0.21135%0.345CS..Hα-helixtrans-61.9-39.8177.9-76-174-163.3107.3-18.2111.7L506 S507 T508 S514 L1090 N1093L506-R510 WeakPolarHBondContact O-CB 3.38Å; L506-R510 VanDerWaalsContact O-CG 3.28Å; L506-R510 WeakPolarHBondContact O-CG 3.32Å; L506-R510 PolarHBondContact O-N 3.45Å; S507-R510 PolarHBondContact O-N 3.4Å; T508-R510 PolarHBondContact O-N 2.87Å; R510-S514 WeakPolarHBondContact O-CA 3.4Å; R510-S514 WeakPolarHBondContact O-CB 3.4Å; R510-S514 PolarHBondContact O-N 3.46Å; R510-L1090 WeakPolarHBondContact CD-O 3.41Å; R510-L1090 PolarHBondContact NE-O 3.13Å; R510-N1093 PolarHBondContact NH2-O 3.19Å
511T71.9Confident72.3Confident99 Ų9964.6 Ų64.661%0.60735%0.353SS*.Hα-helixtrans-62.3-42.2177.2-59.20000112.3S507 T508 V509S507-T511 PolarHBondContact O-N 3.2Å; S507-T511 PolarHBondContact O-OG1 3.49Å; S507-T511 VanDerWaalsContact O-OG1 3.06Å; T508-T511 WeakPolarHBondContact O-CB 3.18Å; T508-T511 PolarHBondContact O-N 3.09Å; T508-T511 VanDerWaalsContact O-N 3.12Å; V509-T511 VanDerWaalsContact C-N 3.32Å; V509-T511 PolarHBondContact O-N 3.04Å
512H71.4Confident73.9Confident113 Ų11364.2 Ų64.252%0.52335%0.345SS..Hα-helixtrans-71.9-48177-74.6-78.7000112.4T508 V509 S514 A515T508-H512 PolarHBondContact O-CD2 3.39Å; T508-H512 VanDerWaalsContact O-CD2 3.24Å; T508-H512 PolarHBondContact O-N 2.93Å; V509-H512 PolarHBondContact O-N 2.81Å; H512-S514 PolarHBondContact O-N 3.41Å; H512-A515 PolarHBondContact O-N 3.46Å
513L81.7Confident75.3Confident2 Ų259.9 Ų59.91%0.0134%0.337CS..Hα-helixtrans-66.2-25.3178.5-66-171.5000113.1V509 A515 L516 L975 I978 V1087 I1091V509-L513 HydrophobicContact CG1-CD1 4.07Å; V509-L513 HydrophobicContact CG1-CG 4.48Å; V509-L513 WeakPolarHBondContact O-CB 3.49Å; V509-L513 WeakPolarHBondContact O-CG 3.31Å; V509-L513 PolarHBondContact O-N 2.95Å; L513-A515 PolarHBondContact O-N 3.1Å; L513-L516 HydrophobicContact CD2-CD1 3.81Å; L513-L516 WeakPolarHBondContact O-CB 3.36Å; L513-L516 PolarHBondContact O-N 3.32Å; L513-L975 HydrophobicContact CD2-CD2 3.73Å; L513-L975 HydrophobicContact CD2-CG 4.22Å; L513-I978 HydrophobicContact CD1-CD1 3.78Å; L513-I978 HydrophobicContact CD1-CG2 4Å; L513-I978 HydrophobicContact CD2-CD1 4.04Å; L513-I978 HydrophobicContact CG-CD1 3.93Å; L513-V1087 HydrophobicContact CB-CG1 3.91Å; L513-V1087 HydrophobicContact CD1-CG1 4.06Å; L513-V1087 HydrophobicContact CD1-CG2 4.36Å; L513-V1087 HydrophobicContact CG-CG1 4.47Å; L513-I1091 HydrophobicContact CB-CD1 4.37Å
514S83.9Confident76.8Confident41 Ų4160.5 Ų60.529%0.28734%0.341SS..THydrogen-bonded Turntrans-61.9-18.9174.7179.30000114R510 H512 H519R510-S514 WeakPolarHBondContact O-CA 3.4Å; R510-S514 WeakPolarHBondContact O-CB 3.4Å; R510-S514 PolarHBondContact O-N 3.46Å; H512-S514 PolarHBondContact O-N 3.41Å; S514-H519 PolarHBondContact OG-CE1 3.06Å
515A86.8Confident78.1Confident69 Ų6958.6 Ų58.657%0.5734%0.343SS*.THydrogen-bonded Turntrans-85.8-12.7172.900000112.8H512 L513H512-A515 PolarHBondContact O-N 3.46Å; L513-A515 PolarHBondContact O-N 3.1Å
516L90.1Very high78.9Confident3 Ų356.8 Ų56.82%0.01634%0.344CS..THydrogen-bonded Turntrans-97.1-13.6-173.1-52.6-174.3000113.8L513 N971 L975 S1031 L1036 F1037L513-L516 HydrophobicContact CD2-CD1 3.81Å; L513-L516 WeakPolarHBondContact O-CB 3.36Å; L513-L516 PolarHBondContact O-N 3.32Å; L516-N971 HydrophobicContact CD1-CB 4.01Å; L516-N971 HydrophobicContact CD2-CB 4.15Å; L516-N971 WeakPolarHBondContact CD2-ND2 3.07Å; L516-L975 HydrophobicContact CD1-CD1 4.18Å; L516-L975 HydrophobicContact CD1-CD2 4.3Å; L516-L975 HydrophobicContact CD1-CG 4.13Å; L516-S1031 WeakPolarHBondContact O-CB 3.44Å; L516-S1031 PolarHBondContact O-OG 3.14Å; L516-L1036 HydrophobicContact CD1-CD1 4.49Å; L516-L1036 HydrophobicContact CD2-CD1 4.34Å; L516-F1037 HydrophobicContact CB-CE2 4.41Å; L516-F1037 HydrophobicContact CB-CZ 4.4Å
517V92Very high79.7Confident6 Ų660.5 Ų60.54%0.03637%0.37CS..SBendtrans-138.5145.4-178.7-57.50000111.8F1037 V1084 V1087 Q1088 I1091V517-F1037 HydrophobicContact CG1-CE1 4.34Å; V517-F1037 HydrophobicContact CG1-CE2 4.03Å; V517-F1037 HydrophobicContact CG1-CZ 3.53Å; V517-V1084 HydrophobicContact CB-CG1 4.36Å; V517-V1084 HydrophobicContact CG1-CG1 3.89Å; V517-V1087 HydrophobicContact CG1-CB 4.23Å; V517-V1087 HydrophobicContact CG1-CG1 3.86Å; V517-V1087 HydrophobicContact CG2-CG1 3.94Å; V517-Q1088 HydrophobicContact CB-CG 3.96Å; V517-Q1088 HydrophobicContact CG2-CG 3.77Å; V517-I1091 HydrophobicContact CG2-CD1 3.47Å; V517-I1091 VanDerWaalsContact CG2-CD1 3.47Å
518N89.4Confident80.8Confident51 Ų5160.6 Ų60.627%0.27337%0.37SS..  trans-68.3141170.6-62.2-7.6000108.6A520 K1027 Y1028 S1030 Q1088N518-A520 VanDerWaalsContact C-N 3.27Å; N518-A520 PolarHBondContact O-N 3.49Å; N518-K1027 PolarHBondContact ND2-O 2.74Å; N518-Y1028 PolarHBondContact ND2-O 2.72Å; N518-S1030 PolarHBondContact N-O 3.3Å; N518-Q1088 PolarHBondContact O-NE2 3.2Å
519H83.3Confident82Confident112 Ų11261.5 Ų61.552%0.51937%0.372SS..SBendtrans-71.9-17.4-179.2-68.6-38.1000114.6S514S514-H519 PolarHBondContact OG-CE1 3.06Å
520A84.4Confident83.3Confident67 Ų6760.8 Ų60.855%0.55437%0.368SS*.SBendtrans-82.5116.6176.500000110.5N518 V522 Q1088N518-A520 VanDerWaalsContact C-N 3.27Å; N518-A520 PolarHBondContact O-N 3.49Å; A520-V522 PolarHBondContact O-N 3.5Å; A520-Q1088 PolarHBondContact O-NE2 2.93Å; A520-Q1088 VanDerWaalsContact O-NE2 3.14Å
521I85.1Confident84.2Confident64 Ų6462 Ų6233%0.32838%0.384SS..  trans-78.2110.4170.2-54.5-177.3000108.4Q1088 M1089I521-Q1088 HydrophobicContact CD1-CB 4.02Å; I521-Q1088 HydrophobicContact CG1-CB 3.87Å; I521-Q1088 HydrophobicContact CG1-CG 4.43Å; I521-M1089 HydrophobicContact CD1-CG 4.32Å; I521-M1089 HydrophobicContact CD1-SD 3.53Å; I521-M1089 VanDerWaalsContact CD1-SD 3.53Å
522V85.2Confident84.9Confident50 Ų5060 Ų6030%0.30338%0.384SS..  trans-88125.7178.4-178.20000109.7A520 R556 F560 A1029A520-V522 PolarHBondContact O-N 3.5Å; V522-R556 HydrophobicContact CG1-CG 3.69Å; V522-F560 HydrophobicContact CG1-CE2 4.21Å; V522-A1029 WeakPolarHBondContact CG2-O 3.12Å
523A84.7Confident85.9Confident46 Ų4655 Ų5538%0.3836%0.362SS..  trans-83.6141.8-178.400000112.4N525 A526 R556A523-N525 VanDerWaalsContact C-N 3.28Å; A523-N525 PolarHBondContact O-N 3.12Å; A523-A526 HydrophobicContact CB-CB 4.23Å; A523-R556 PolarHBondContact O-NH1 2.81Å
524P85.4Confident86.6Confident56 Ų5655 Ų5536%0.36436%0.362SS..THydrogen-bonded Turntrans-68.1-27.917426.4-33.7000112.8A530 R556 F560P524-A530 WeakPolarHBondContact O-CB 3.43Å; P524-A530 PolarHBondContact O-N 3.11Å; P524-R556 VanDerWaalsContact C-NH1 3.31Å; P524-R556 PolarHBondContact O-NH1 2.9Å; P524-F560 HydrophobicContact CB-CD1 3.97Å; P524-F560 HydrophobicContact CB-CD2 4.39Å; P524-F560 HydrophobicContact CB-CE1 3.83Å; P524-F560 HydrophobicContact CB-CE2 4.25Å; P524-F560 HydrophobicContact CB-CG 4.26Å; P524-F560 HydrophobicContact CB-CZ 3.98Å; P524-F560 HydrophobicContact CG-CE1 4.48Å
525N86.6Confident87.1Confident118 Ų11855.5 Ų55.563%0.63136%0.364SS*.THydrogen-bonded Turntrans-103.74.2-169-58.9-1.9000114.3A523 C528A523-N525 VanDerWaalsContact C-N 3.28Å; A523-N525 PolarHBondContact O-N 3.12Å; N525-C528 CarbonylContact C-O 3.39Å; N525-C528 CarbonylContact O-C 3.49Å
526A77.8Confident87.4Confident55 Ų5554.8 Ų54.846%0.45535%0.353SS..SBendtrans-137133-177.300000110.9A523 C528 R556A523-A526 HydrophobicContact CB-CB 4.23Å; A526-C528 VanDerWaalsContact C-N 3.33Å; A526-C528 PolarHBondContact N-O 2.86Å; A526-R556 PolarHBondContact O-NE 3.32Å; A526-R556 PolarHBondContact O-NH1 3.13Å; A526-R556 VanDerWaalsContact O-NH1 3.1Å
527P77.5Confident87.4Confident108 Ų10860.8 Ų60.870%0.70138%0.384SS*.SBendcis-70.4-19.8430.2-37.1000114.5E553P527-E553 WeakPolarHBondContact CD-OE2 3.42Å; P527-E553 WeakPolarHBondContact CG-OE1 3.33Å
528C82.8Confident87.3Confident63 Ų6361.6 Ų61.643%0.42639%0.39SS..SBendtrans-141.1174.6172.365.20000111.1N525 A526 A530 R556N525-C528 CarbonylContact C-O 3.39Å; N525-C528 CarbonylContact O-C 3.49Å; A526-C528 VanDerWaalsContact C-N 3.33Å; A526-C528 PolarHBondContact N-O 2.86Å; C528-A530 PolarHBondContact O-N 2.98Å; C528-R556 PolarHBondContact O-NH1 3.43Å; C528-R556 PolarHBondContact O-NH2 2.87Å
529D88.6Confident87.5Confident98 Ų9859.2 Ų59.252%0.52438%0.377SS..  trans-65.4119.6173.2-177.12.1000111.1S531D529-S531 WeakPolarHBondContact OD1-CB 3.42Å; D529-S531 PolarHBondContact OD1-N 3.3Å; D529-S531 PolarHBondContact OD1-OG 2.61Å; D529-S531 PolarHBondContact OD2-OG 2.79Å; D529-S531 VanDerWaalsContact OD2-OG 3.06Å
530A90.6Very high87.8Confident0 Ų057.2 Ų57.20%037%0.368CS..  trans-95.60.1178.300000114.2P524 C528 G532 G533 L557 F560 G561P524-A530 WeakPolarHBondContact O-CB 3.43Å; P524-A530 PolarHBondContact O-N 3.11Å; C528-A530 PolarHBondContact O-N 2.98Å; A530-G532 PolarHBondContact O-N 3.23Å; A530-G533 PolarHBondContact O-N 3.35Å; A530-G533 VanDerWaalsContact O-N 3.09Å; A530-L557 HydrophobicContact CB-CD2 3.87Å; A530-F560 HydrophobicContact CB-CB 3.76Å; A530-F560 HydrophobicContact CB-CD2 3.77Å; A530-F560 HydrophobicContact CB-CG 4.12Å; A530-G561 PolarHBondContact O-N 3.45Å
531S88.6Confident87.9Confident80 Ų8057 Ų5756%0.55936%0.359SS*.THydrogen-bonded Turntrans-63.3-23.5179.967.30000113.5D529 G533D529-S531 WeakPolarHBondContact OD1-CB 3.42Å; D529-S531 PolarHBondContact OD1-N 3.3Å; D529-S531 PolarHBondContact OD1-OG 2.61Å; D529-S531 PolarHBondContact OD2-OG 2.79Å; D529-S531 VanDerWaalsContact OD2-OG 3.06Å; S531-G533 VanDerWaalsContact C-N 3.31Å; S531-G533 PolarHBondContact O-N 3.14Å
532G86.8Confident88Confident58 Ų5854.2 Ų54.260%0.59835%0.345SS*.THydrogen-bonded Turntrans-76.4-8174.300000115.6A530A530-G532 PolarHBondContact O-N 3.23Å
533G93.6Very high88Confident7 Ų753.5 Ų53.57%0.07234%0.339CS..  trans71.8-166.8177.200000114.9A530 S531 T535 G562A530-G533 PolarHBondContact O-N 3.35Å; A530-G533 VanDerWaalsContact O-N 3.09Å; S531-G533 VanDerWaalsContact C-N 3.31Å; S531-G533 PolarHBondContact O-N 3.14Å; G533-T535 PolarHBondContact O-N 3.01Å; G533-G562 WeakPolarHBondContact CA-O 3.49Å
534L94.7Very high87.9Confident3 Ų359 Ų592%0.01635%0.354CS..BIsolated β-bridgetrans-86.7102.1174.1179.261.1000110.1V538 W539 L554 L557 V558 G562 D564 L567 V571L534-V538 HydrophobicContact CD1-CB 4.18Å; L534-V538 HydrophobicContact CD1-CG1 3.76Å; L534-W539 HydrophobicContact CD1-CB 4.35Å; L534-W539 HydrophobicContact CD1-CE3 4.4Å; L534-W539 HydrophobicContact CD2-CE3 3.98Å; L534-W539 HydrophobicContact CD2-CZ3 4.45Å; L534-L554 HydrophobicContact CD1-CD2 4Å; L534-L557 HydrophobicContact CB-CB 4.47Å; L534-L557 HydrophobicContact CD1-CD1 4.46Å; L534-V558 HydrophobicContact CB-CG2 3.79Å; L534-V558 HydrophobicContact CD2-CG2 3.83Å; L534-V558 HydrophobicContact CG-CG2 4.47Å; L534-G562 PolarHBondContact N-O 3.36Å; L534-D564 PolarHBondContact O-N 3.24Å; L534-D564 VanDerWaalsContact O-N 3.13Å; L534-L567 HydrophobicContact CG-CD1 4.41Å; L534-V571 HydrophobicContact CD2-CG1 3.92Å; L534-V571 HydrophobicContact CD2-CG2 3.91Å
535T94.4Very high87.7Confident51 Ų5159.7 Ų59.731%0.31336%0.355SS..  trans-90.2161.4-18069.50000112.9G533 D537 V538 W539G533-T535 PolarHBondContact O-N 3.01Å; T535-D537 VanDerWaalsContact C-N 3.28Å; T535-D537 PolarHBondContact O-N 3.22Å; T535-V538 PolarHBondContact O-N 2.9Å; T535-W539 PolarHBondContact O-N 3.47Å
536T93.5Very high87Confident55 Ų5556.5 Ų56.534%0.33734%0.342SS..Hα-helixtrans-54.3-41177.7-44.50000112.7W539 Q540 L567T536-W539 PolarHBondContact O-N 3.27Å; T536-Q540 HydrophobicContact CG2-CG 4.16Å; T536-Q540 WeakPolarHBondContact O-CB 3.47Å; T536-Q540 VanDerWaalsContact O-CG 3.25Å; T536-Q540 WeakPolarHBondContact O-CG 3.39Å; T536-Q540 PolarHBondContact O-N 3.37Å; T536-L567 HydrophobicContact CG2-CD2 4.23Å
537D90.8Very high86.8Confident128 Ų12859.6 Ų59.668%0.68436%0.355SS*.Hα-helixtrans-67-39.6-179.2-62.8-49.6000112.7T535 T541T535-D537 VanDerWaalsContact C-N 3.28Å; T535-D537 PolarHBondContact O-N 3.22Å; D537-T541 WeakPolarHBondContact O-CB 3.43Å; D537-T541 PolarHBondContact O-N 3.47Å; D537-T541 PolarHBondContact O-OG1 3.29Å
538V90.5Very high86.5Confident24 Ų2456.9 Ų56.915%0.14534%0.342CS..Hα-helixtrans-66.5-48176172.80000110.1L534 T535 T541 F542 Y549 L554 L557L534-V538 HydrophobicContact CD1-CB 4.18Å; L534-V538 HydrophobicContact CD1-CG1 3.76Å; T535-V538 PolarHBondContact O-N 2.9Å; V538-T541 WeakPolarHBondContact O-CB 3.35Å; V538-T541 PolarHBondContact O-N 3.12Å; V538-T541 VanDerWaalsContact O-N 3.13Å; V538-F542 PolarHBondContact O-N 3.39Å; V538-Y549 HydrophobicContact CG1-CD1 4.38Å; V538-Y549 HydrophobicContact CG1-CD2 4.43Å; V538-Y549 HydrophobicContact CG1-CE1 4Å; V538-Y549 HydrophobicContact CG1-CE2 4.06Å; V538-L554 HydrophobicContact CG1-CD2 4.09Å; V538-L557 HydrophobicContact CG1-CD1 3.81Å
539W91.9Very high86.1Confident1 Ų157.1 Ų57.10%0.00433%0.334CS..Hα-helixtrans-61.8-46.8179.2-173.7-115.6000112.4L534 T535 T536 T541 F542 L543 L554 L567 E570 V571 F574L534-W539 HydrophobicContact CD1-CB 4.35Å; L534-W539 HydrophobicContact CD1-CE3 4.4Å; L534-W539 HydrophobicContact CD2-CE3 3.98Å; L534-W539 HydrophobicContact CD2-CZ3 4.45Å; T535-W539 PolarHBondContact O-N 3.47Å; T536-W539 PolarHBondContact O-N 3.27Å; W539-T541 PolarHBondContact O-N 2.81Å; W539-F542 HydrophobicContact CE3-CD1 4.01Å; W539-F542 HydrophobicContact CH2-CD1 4.33Å; W539-F542 HydrophobicContact CH2-CE1 4.33Å; W539-F542 AromaticContact CZ3-CD1 3.74Å; W539-F542 HydrophobicContact CZ3-CD1 3.74Å; W539-F542 HydrophobicContact CZ3-CE1 4.01Å; W539-F542 PolarHBondContact O-N 2.7Å; W539-F542 VanDerWaalsContact O-N 3.17Å; W539-L543 HydrophobicContact CZ2-CD2 4.27Å; W539-L543 WeakPolarHBondContact O-CG 3.49Å; W539-L543 PolarHBondContact O-N 3.2Å; W539-L554 HydrophobicContact CZ3-CD1 4.43Å; W539-L567 HydrophobicContact CB-CD1 3.74Å; W539-L567 HydrophobicContact CB-CD2 4.43Å; W539-L567 HydrophobicContact CG-CD1 4.05Å; W539-L567 HydrophobicContact CG-CD2 4.27Å; W539-E570 HydrophobicContact CZ2-CB 4.46Å; W539-E570 PolarHBondContact NE1-OE2 2.88Å; W539-V571 HydrophobicContact CD2-CG2 3.77Å; W539-V571 HydrophobicContact CE3-CG2 4.03Å; W539-V571 HydrophobicContact CG-CG2 4.35Å; W539-V571 HydrophobicContact CH2-CG2 4.04Å; W539-V571 HydrophobicContact CZ2-CG2 3.76Å; W539-V571 HydrophobicContact CZ3-CG2 4.16Å; W539-F574 AromaticContact CH2-CD2 3.51Å; W539-F574 HydrophobicContact CH2-CD2 3.51Å; W539-F574 AromaticContact CH2-CE2 3.61Å; W539-F574 HydrophobicContact CH2-CE2 3.61Å; W539-F574 AromaticContact CH2-CG 4Å; W539-F574 HydrophobicContact CH2-CG 4Å; W539-F574 HydrophobicContact CH2-CZ 4.17Å; W539-F574 AromaticContact CZ2-CD2 3.78Å; W539-F574 HydrophobicContact CZ2-CD2 3.78Å; W539-F574 AromaticContact CZ2-CE2 3.55Å; W539-F574 HydrophobicContact CZ2-CE2 3.55Å; W539-F574 HydrophobicContact CZ2-CZ 4.3Å
540Q89.7Confident85.9Confident70 Ų7060 Ų6033%0.32734%0.342SS..Hα-helixtrans-69.1-13.5176-74.5-70.4-36.300113.8T536 K544T536-Q540 HydrophobicContact CG2-CG 4.16Å; T536-Q540 WeakPolarHBondContact O-CB 3.47Å; T536-Q540 VanDerWaalsContact O-CG 3.25Å; T536-Q540 WeakPolarHBondContact O-CG 3.39Å; T536-Q540 PolarHBondContact O-N 3.37Å; Q540-K544 WeakPolarHBondContact O-CD 3.28Å; Q540-K544 WeakPolarHBondContact O-CE 3Å; Q540-K544 VanDerWaalsContact O-CG 3.32Å; Q540-K544 WeakPolarHBondContact O-CG 3.43Å; Q540-K544 PolarHBondContact O-NZ 3.4Å
541T88.3Confident85.7Confident62 Ų6263.3 Ų63.338%0.3836%0.357SS..Hα-helixtrans-83.7-46.1168.6-59.20000110.2D537 V538 W539 L543 K544 D545 A548 Y549D537-T541 WeakPolarHBondContact O-CB 3.43Å; D537-T541 PolarHBondContact O-N 3.47Å; D537-T541 PolarHBondContact O-OG1 3.29Å; V538-T541 WeakPolarHBondContact O-CB 3.35Å; V538-T541 PolarHBondContact O-N 3.12Å; V538-T541 VanDerWaalsContact O-N 3.13Å; W539-T541 PolarHBondContact O-N 2.81Å; T541-L543 PolarHBondContact O-N 2.81Å; T541-K544 PolarHBondContact O-N 3.35Å; T541-K544 VanDerWaalsContact O-N 3.12Å; T541-D545 PolarHBondContact O-N 2.81Å; T541-A548 HydrophobicContact CG2-CB 4.35Å; T541-Y549 HydrophobicContact CG2-CE2 3.89Å
542F86.4Confident85.6Confident5 Ų565 Ų652%0.02236%0.357CS..Hα-helixtrans-58.8-41.8175.4173.2-110.8000113.1V538 W539 K544 D545 C546 Y549 L554 F581V538-F542 PolarHBondContact O-N 3.39Å; W539-F542 HydrophobicContact CE3-CD1 4.01Å; W539-F542 HydrophobicContact CH2-CD1 4.33Å; W539-F542 HydrophobicContact CH2-CE1 4.33Å; W539-F542 AromaticContact CZ3-CD1 3.74Å; W539-F542 HydrophobicContact CZ3-CD1 3.74Å; W539-F542 HydrophobicContact CZ3-CE1 4.01Å; W539-F542 PolarHBondContact O-N 2.7Å; W539-F542 VanDerWaalsContact O-N 3.17Å; F542-K544 PolarHBondContact O-N 3.23Å; F542-D545 CarbonylContact O-C 3.58Å; F542-D545 PolarHBondContact O-N 3.12Å; F542-C546 HydrophobicContact CE2-CB 4.33Å; F542-C546 WeakPolarHBondContact O-CA 3.49Å; F542-C546 PolarHBondContact O-N 2.95Å; F542-C546 VanDerWaalsContact O-N 3.14Å; F542-Y549 HydrophobicContact CB-CD2 4.28Å; F542-L554 HydrophobicContact CD1-CD1 3.74Å; F542-L554 HydrophobicContact CD2-CD1 3.79Å; F542-L554 HydrophobicContact CE1-CD1 3.8Å; F542-L554 HydrophobicContact CE2-CD1 3.83Å; F542-L554 HydrophobicContact CG-CD1 3.73Å; F542-L554 HydrophobicContact CZ-CD1 3.84Å; F542-F581 HydrophobicContact CE1-CD1 4.07Å; F542-F581 HydrophobicContact CZ-CB 4.32Å; F542-F581 AromaticContact CZ-CD1 3.93Å; F542-F581 HydrophobicContact CZ-CD1 3.93Å
543L84.1Confident85.8Confident36 Ų3663.6 Ų63.619%0.18834%0.335CS..THydrogen-bonded Turntrans-65.2-22.6176.8-69.1179.9000113.9W539 T541W539-L543 HydrophobicContact CZ2-CD2 4.27Å; W539-L543 WeakPolarHBondContact O-CG 3.49Å; W539-L543 PolarHBondContact O-N 3.2Å; T541-L543 PolarHBondContact O-N 2.81Å
544K83.5Confident85.7Confident160 Ų16063.4 Ų63.470%0.69633%0.332SS*.THydrogen-bonded Turntrans-91.6-29.1177.8-67.1178-171.5105.50112.7Q540 T541 F542Q540-K544 WeakPolarHBondContact O-CD 3.28Å; Q540-K544 WeakPolarHBondContact O-CE 3Å; Q540-K544 VanDerWaalsContact O-CG 3.32Å; Q540-K544 WeakPolarHBondContact O-CG 3.43Å; Q540-K544 PolarHBondContact O-NZ 3.4Å; T541-K544 PolarHBondContact O-N 3.35Å; T541-K544 VanDerWaalsContact O-N 3.12Å; F542-K544 PolarHBondContact O-N 3.23Å
545D80.4Confident85.6Confident72 Ų7263.5 Ų63.539%0.38533%0.332SS..  trans-143.395.2175-179.2-1.8000109.3T541 F542 T547 A548T541-D545 PolarHBondContact O-N 2.81Å; F542-D545 CarbonylContact O-C 3.58Å; F542-D545 PolarHBondContact O-N 3.12Å; D545-T547 PolarHBondContact O-N 2.99Å; D545-T547 WeakPolarHBondContact OD1-CA 3.47Å; D545-T547 WeakPolarHBondContact OD1-CB 3.26Å; D545-T547 PolarHBondContact OD1-N 3.15Å; D545-T547 PolarHBondContact OD1-OG1 3.16Å; D545-A548 HydrophobicContact CB-CB 3.94Å; D545-A548 WeakPolarHBondContact O-CB 3.34Å; D545-A548 PolarHBondContact O-N 3.45Å; D545-A548 PolarHBondContact OD1-N 3.41Å
546C73.3Confident85.6Confident51 Ų5161.4 Ų61.435%0.34532%0.319SS..THydrogen-bonded Turntrans-60.9-9.1176.7-60.60000113.4F542F542-C546 HydrophobicContact CE2-CB 4.33Å; F542-C546 WeakPolarHBondContact O-CA 3.49Å; F542-C546 PolarHBondContact O-N 2.95Å; F542-C546 VanDerWaalsContact O-N 3.14Å
547T73.2Confident85.6Confident120 Ų12059.2 Ų59.274%0.73631%0.305SS*.THydrogen-bonded Turntrans-98.1-14.717677.30000113.5D545 Y549D545-T547 PolarHBondContact O-N 2.99Å; D545-T547 WeakPolarHBondContact OD1-CA 3.47Å; D545-T547 WeakPolarHBondContact OD1-CB 3.26Å; D545-T547 PolarHBondContact OD1-N 3.15Å; D545-T547 PolarHBondContact OD1-OG1 3.16Å; T547-Y549 VanDerWaalsContact C-N 3.31Å; T547-Y549 PolarHBondContact O-N 3.3Å
548A70.4Confident85.9Confident51 Ų5153.1 Ų53.142%0.42127%0.272SS..THydrogen-bonded Turntrans-66.2-31.8-179.800000113T541 D545T541-A548 HydrophobicContact CG2-CB 4.35Å; D545-A548 HydrophobicContact CB-CB 3.94Å; D545-A548 WeakPolarHBondContact O-CB 3.34Å; D545-A548 PolarHBondContact O-N 3.45Å; D545-A548 PolarHBondContact OD1-N 3.41Å
549Y76.1Confident86.2Confident68 Ų6852.4 Ų52.427%0.26727%0.267SS..SBendtrans-124.6135.9173.6-70.2-87000110.4V538 T541 F542 T547 E553 L554V538-Y549 HydrophobicContact CG1-CD1 4.38Å; V538-Y549 HydrophobicContact CG1-CD2 4.43Å; V538-Y549 HydrophobicContact CG1-CE1 4Å; V538-Y549 HydrophobicContact CG1-CE2 4.06Å; T541-Y549 HydrophobicContact CG2-CE2 3.89Å; F542-Y549 HydrophobicContact CB-CD2 4.28Å; T547-Y549 VanDerWaalsContact C-N 3.31Å; T547-Y549 PolarHBondContact O-N 3.3Å; Y549-E553 HydrophobicContact CD1-CG 4.15Å; Y549-L554 HydrophobicContact CG-CD2 4.21Å
550K82.6Confident86.3Confident158 Ų15854.1 Ų54.169%0.68727%0.274SS*.  trans-75.4144.1166.7-64.1-174.4178.6-175.60109.4Q552 E553 L554K550-Q552 PolarHBondContact O-N 2.93Å; K550-Q552 VanDerWaalsContact O-N 3.17Å; K550-E553 WeakPolarHBondContact O-CB 3.34Å; K550-E553 PolarHBondContact O-N 2.62Å; K550-L554 PolarHBondContact O-N 3.44Å
551E86.6Confident86.4Confident69 Ų6952.5 Ų52.532%0.32228%0.277SS..Hα-helixtrans-46-46.1172.2174.8-172.2-166.800112.3E553 L554 L555 F581E551-E553 PolarHBondContact O-N 2.74Å; E551-L554 PolarHBondContact O-N 3.48Å; E551-L554 VanDerWaalsContact O-N 3.13Å; E551-L555 HydrophobicContact CG-CD1 3.82Å; E551-L555 HydrophobicContact CG-CG 4.37Å; E551-L555 WeakPolarHBondContact O-CG 2.93Å; E551-L555 PolarHBondContact O-N 2.84Å; E551-F581 HydrophobicContact CB-CB 4.31Å; E551-F581 HydrophobicContact CB-CG 4.33Å; E551-F581 HydrophobicContact CG-CB 4.22Å; E551-F581 HydrophobicContact CG-CD1 4.45Å; E551-F581 HydrophobicContact CG-CD2 3.62Å; E551-F581 HydrophobicContact CG-CE2 4.04Å; E551-F581 HydrophobicContact CG-CG 3.85Å; E551-F581 WeakPolarHBondContact OE1-CD2 3.31Å
552Q87.7Confident86.7Confident117 Ų11749.9 Ų49.955%0.54726%0.262SS..Hα-helixtrans-64.4-23.9-178.1-58.176.832.500112.9K550 R556K550-Q552 PolarHBondContact O-N 2.93Å; K550-Q552 VanDerWaalsContact O-N 3.17Å; Q552-R556 WeakPolarHBondContact O-CB 3.16Å; Q552-R556 PolarHBondContact O-N 3.44Å
553E89.9Confident87.2Confident28 Ų2850.1 Ų50.113%0.13126%0.264CS..Hα-helixtrans-78.8-40.5174.7-176.861.9-174.400111.4P527 Y549 K550 E551 L555 R556 L557P527-E553 WeakPolarHBondContact CD-OE2 3.42Å; P527-E553 WeakPolarHBondContact CG-OE1 3.33Å; Y549-E553 HydrophobicContact CD1-CG 4.15Å; K550-E553 WeakPolarHBondContact O-CB 3.34Å; K550-E553 PolarHBondContact O-N 2.62Å; E551-E553 PolarHBondContact O-N 2.74Å; E553-L555 VanDerWaalsContact C-N 3.33Å; E553-L555 PolarHBondContact O-N 2.7Å; E553-R556 WeakPolarHBondContact O-CB 3.25Å; E553-R556 PolarHBondContact O-N 2.79Å; E553-R556 VanDerWaalsContact O-N 3.14Å; E553-R556 IonicContact OE1-CZ 3.65Å; E553-R556 IonicContact OE1-NE 2.69Å; E553-R556 PolarHBondContact OE1-NE 3.16Å; E553-R556 IonicContact OE1-NH2 3.16Å; E553-R556 PolarHBondContact OE1-NH2 3.29Å; E553-R556 IonicContact OE2-CZ 3.98Å; E553-R556 IonicContact OE2-NE 2.68Å; E553-R556 PolarHBondContact OE2-NE 3.34Å; E553-R556 IonicContact OE2-NH2 2.71Å; E553-L557 WeakPolarHBondContact O-CG 3.28Å; E553-L557 PolarHBondContact O-N 2.99Å
554L91.5Very high87.8Confident3 Ų351.3 Ų51.32%0.01627%0.271CS..Hα-helixtrans-60.7-45.2172.6-59.6175.6000110.6L534 V538 W539 F542 Y549 K550 E551 R556 L557 V558 F581L534-L554 HydrophobicContact CD1-CD2 4Å; V538-L554 HydrophobicContact CG1-CD2 4.09Å; W539-L554 HydrophobicContact CZ3-CD1 4.43Å; F542-L554 HydrophobicContact CD1-CD1 3.74Å; F542-L554 HydrophobicContact CD2-CD1 3.79Å; F542-L554 HydrophobicContact CE1-CD1 3.8Å; F542-L554 HydrophobicContact CE2-CD1 3.83Å; F542-L554 HydrophobicContact CG-CD1 3.73Å; F542-L554 HydrophobicContact CZ-CD1 3.84Å; Y549-L554 HydrophobicContact CG-CD2 4.21Å; K550-L554 PolarHBondContact O-N 3.44Å; E551-L554 PolarHBondContact O-N 3.48Å; E551-L554 VanDerWaalsContact O-N 3.13Å; L554-R556 VanDerWaalsContact C-N 3.31Å; L554-R556 PolarHBondContact O-N 2.95Å; L554-L557 PolarHBondContact O-N 2.84Å; L554-V558 WeakPolarHBondContact O-CG2 3.34Å; L554-V558 PolarHBondContact O-N 3.05Å; L554-F581 HydrophobicContact CD1-CD1 4.02Å; L554-F581 HydrophobicContact CD1-CE1 4.01Å
555L93.3Very high88.3Confident5 Ų547.8 Ų47.83%0.02626%0.264CS..Hα-helixtrans-63.7-34.3174.5-64172.4000111.9E551 E553 Y559 L575 F581 A1025 Y1028E551-L555 HydrophobicContact CG-CD1 3.82Å; E551-L555 HydrophobicContact CG-CG 4.37Å; E551-L555 WeakPolarHBondContact O-CG 2.93Å; E551-L555 PolarHBondContact O-N 2.84Å; E553-L555 VanDerWaalsContact C-N 3.33Å; E553-L555 PolarHBondContact O-N 2.7Å; L555-Y559 WeakPolarHBondContact O-CB 3.44Å; L555-Y559 PolarHBondContact O-N 3.41Å; L555-L575 HydrophobicContact CD2-CD2 3.63Å; L555-F581 HydrophobicContact CD2-CZ 4.28Å; L555-A1025 HydrophobicContact CD2-CB 4.49Å; L555-A1025 WeakPolarHBondContact O-CB 3.46Å; L555-Y1028 HydrophobicContact CD1-CD1 4.35Å; L555-Y1028 HydrophobicContact CD1-CD2 3.96Å; L555-Y1028 HydrophobicContact CD1-CG 3.78Å
556R93.7Very high89Confident7 Ų748.2 Ų48.23%0.02627%0.273CS..Hα-helixtrans-65.2-44.3173.3-170.4-17776.38610.6112.2V522 A523 P524 A526 C528 Q552 E553 L554 Y559 F560V522-R556 HydrophobicContact CG1-CG 3.69Å; A523-R556 PolarHBondContact O-NH1 2.81Å; P524-R556 VanDerWaalsContact C-NH1 3.31Å; P524-R556 PolarHBondContact O-NH1 2.9Å; A526-R556 PolarHBondContact O-NE 3.32Å; A526-R556 PolarHBondContact O-NH1 3.13Å; A526-R556 VanDerWaalsContact O-NH1 3.1Å; C528-R556 PolarHBondContact O-NH1 3.43Å; C528-R556 PolarHBondContact O-NH2 2.87Å; Q552-R556 WeakPolarHBondContact O-CB 3.16Å; Q552-R556 PolarHBondContact O-N 3.44Å; E553-R556 WeakPolarHBondContact O-CB 3.25Å; E553-R556 PolarHBondContact O-N 2.79Å; E553-R556 VanDerWaalsContact O-N 3.14Å; E553-R556 IonicContact OE1-CZ 3.65Å; E553-R556 IonicContact OE1-NE 2.69Å; E553-R556 PolarHBondContact OE1-NE 3.16Å; E553-R556 IonicContact OE1-NH2 3.16Å; E553-R556 PolarHBondContact OE1-NH2 3.29Å; E553-R556 IonicContact OE2-CZ 3.98Å; E553-R556 IonicContact OE2-NE 2.68Å; E553-R556 PolarHBondContact OE2-NE 3.34Å; E553-R556 IonicContact OE2-NH2 2.71Å; L554-R556 VanDerWaalsContact C-N 3.31Å; L554-R556 PolarHBondContact O-N 2.95Å; R556-Y559 PolarHBondContact O-N 3.17Å; R556-F560 HydrophobicContact CG-CD2 3.88Å; R556-F560 HydrophobicContact CG-CE2 3.86Å; R556-F560 WeakPolarHBondContact O-CD2 3.36Å; R556-F560 PolarHBondContact O-N 3.3Å; R556-F560 VanDerWaalsContact O-N 3.14Å
557L94.4Very high90.1Very high8 Ų846 Ų464%0.04226%0.257CS..Hα-helixtrans-59.5-50.2176-67.9176.2000111.1A530 L534 V538 E553 L554 Y559 F560 G561A530-L557 HydrophobicContact CB-CD2 3.87Å; L534-L557 HydrophobicContact CB-CB 4.47Å; L534-L557 HydrophobicContact CD1-CD1 4.46Å; V538-L557 HydrophobicContact CG1-CD1 3.81Å; E553-L557 WeakPolarHBondContact O-CG 3.28Å; E553-L557 PolarHBondContact O-N 2.99Å; L554-L557 PolarHBondContact O-N 2.84Å; L557-Y559 VanDerWaalsContact C-N 3.35Å; L557-Y559 PolarHBondContact O-N 3.46Å; L557-F560 PolarHBondContact O-N 3.45Å; L557-G561 PolarHBondContact O-N 2.91Å
558V96.2Very high91.2Very high1 Ų141 Ų411%0.00623%0.225CC..Hα-helixtrans-61.4-42.2176.51770000111.6L534 L554 F560 G562 V563 L575 E1021 A1025L534-V558 HydrophobicContact CB-CG2 3.79Å; L534-V558 HydrophobicContact CD2-CG2 3.83Å; L534-V558 HydrophobicContact CG-CG2 4.47Å; L554-V558 WeakPolarHBondContact O-CG2 3.34Å; L554-V558 PolarHBondContact O-N 3.05Å; V558-F560 VanDerWaalsContact C-N 3.33Å; V558-F560 PolarHBondContact O-N 3.16Å; V558-G562 VanDerWaalsContact O-CA 3.28Å; V558-G562 WeakPolarHBondContact O-CA 3.34Å; V558-G562 PolarHBondContact O-N 2.79Å; V558-V563 HydrophobicContact CG1-CG2 3.88Å; V558-V563 HydrophobicContact CG2-CG2 3.83Å; V558-L575 HydrophobicContact CG1-CD1 4.14Å; V558-E1021 HydrophobicContact CG1-CB 3.99Å; V558-A1025 HydrophobicContact CB-CB 4.1Å; V558-A1025 HydrophobicContact CG1-CB 3.9Å
559Y96.1Very high92.5Very high8 Ų843.6 Ų43.63%0.03123%0.227CC..Hα-helixtrans-61.4-35.5179.9173.4-107.3000113.5L555 R556 L557 T1022 A1026 A1029 S1030 F1034 R1081L555-Y559 WeakPolarHBondContact O-CB 3.44Å; L555-Y559 PolarHBondContact O-N 3.41Å; R556-Y559 PolarHBondContact O-N 3.17Å; L557-Y559 VanDerWaalsContact C-N 3.35Å; L557-Y559 PolarHBondContact O-N 3.46Å; Y559-T1022 HydrophobicContact CD2-CG2 4.07Å; Y559-T1022 HydrophobicContact CE2-CG2 4.43Å; Y559-A1026 HydrophobicContact CD2-CB 3.68Å; Y559-A1026 HydrophobicContact CE2-CB 3.58Å; Y559-A1029 HydrophobicContact CD1-CB 3.91Å; Y559-A1029 HydrophobicContact CD2-CB 4.12Å; Y559-A1029 HydrophobicContact CE1-CB 4.38Å; Y559-A1029 HydrophobicContact CG-CB 3.74Å; Y559-S1030 VanDerWaalsContact CE2-OG 3.27Å; Y559-S1030 WeakPolarHBondContact CE2-OG 3.45Å; Y559-S1030 VanDerWaalsContact CZ-OG 3.25Å; Y559-S1030 VanDerWaalsContact OH-CB 3.27Å; Y559-S1030 WeakPolarHBondContact OH-CB 3.49Å; Y559-S1030 PolarHBondContact OH-OG 3.21Å; Y559-F1034 HydrophobicContact CE2-CD2 4.39Å; Y559-F1034 HydrophobicContact CE2-CE2 4.01Å; Y559-F1034 HydrophobicContact CE2-CZ 4.16Å; Y559-R1081 HydrophobicContact CE1-CG 4.16Å; Y559-R1081 HydrophobicContact CE2-CG 4.26Å; Y559-R1081 PolarHBondContact O-NE 3.35Å; Y559-R1081 PolarHBondContact O-NH2 2.97Å; Y559-R1081 WeakPolarHBondContact OH-CG 3.31Å
560F94.4Very high93.3Very high37 Ų3744.1 Ų44.116%0.16223%0.232CC..Hα-helixtrans-92.3-46.3-179.6-75.1-68.1000114V522 P524 A530 R556 L557 V558 R1081V522-F560 HydrophobicContact CG1-CE2 4.21Å; P524-F560 HydrophobicContact CB-CD1 3.97Å; P524-F560 HydrophobicContact CB-CD2 4.39Å; P524-F560 HydrophobicContact CB-CE1 3.83Å; P524-F560 HydrophobicContact CB-CE2 4.25Å; P524-F560 HydrophobicContact CB-CG 4.26Å; P524-F560 HydrophobicContact CB-CZ 3.98Å; P524-F560 HydrophobicContact CG-CE1 4.48Å; A530-F560 HydrophobicContact CB-CB 3.76Å; A530-F560 HydrophobicContact CB-CD2 3.77Å; A530-F560 HydrophobicContact CB-CG 4.12Å; R556-F560 HydrophobicContact CG-CD2 3.88Å; R556-F560 HydrophobicContact CG-CE2 3.86Å; R556-F560 WeakPolarHBondContact O-CD2 3.36Å; R556-F560 PolarHBondContact O-N 3.3Å; R556-F560 VanDerWaalsContact O-N 3.14Å; L557-F560 PolarHBondContact O-N 3.45Å; V558-F560 VanDerWaalsContact C-N 3.33Å; V558-F560 PolarHBondContact O-N 3.16Å; F560-R1081 PolarHBondContact O-NH2 3.43Å
561G91.8Very high93.9Very high36 Ų3636.7 Ų36.737%0.37120%0.2SC..Hα-helixtrans-112.5-5.5-173.300000116.3A530 L557A530-G561 PolarHBondContact O-N 3.45Å; L557-G561 PolarHBondContact O-N 2.91Å
562G94.9Very high94.4Very high8 Ų833.4 Ų33.48%0.08218%0.184CC..  trans80.1-170.1-177.400000114.1G533 L534 V558G533-G562 WeakPolarHBondContact CA-O 3.49Å; L534-G562 PolarHBondContact N-O 3.36Å; V558-G562 VanDerWaalsContact O-CA 3.28Å; V558-G562 WeakPolarHBondContact O-CA 3.34Å; V558-G562 PolarHBondContact O-N 2.79Å
563V97.1Very high94.8Very high9 Ų927.9 Ų27.96%0.05516%0.158CC..BIsolated β-bridgetrans-102.5140.8175.2-171.70000110.1V558 L567 R568 V571 L575 E1021V558-V563 HydrophobicContact CG1-CG2 3.88Å; V558-V563 HydrophobicContact CG2-CG2 3.83Å; V563-L567 HydrophobicContact CG1-CB 3.84Å; V563-R568 HydrophobicContact CB-CG 4.5Å; V563-R568 HydrophobicContact CG1-CG 4.36Å; V563-V571 HydrophobicContact CG1-CB 4Å; V563-V571 HydrophobicContact CG1-CG1 4Å; V563-V571 HydrophobicContact CG1-CG2 4.09Å; V563-V571 HydrophobicContact CG2-CG1 3.89Å; V563-L575 HydrophobicContact CG2-CD1 4.14Å; V563-E1021 HydrophobicContact CB-CG 4.34Å; V563-E1021 WeakPolarHBondContact CB-OE2 3.32Å; V563-E1021 HydrophobicContact CG2-CB 4.25Å; V563-E1021 HydrophobicContact CG2-CG 3.73Å; V563-E1021 PolarHBondContact N-OE2 3.17Å
564D95.8Very high95.1Very high61 Ų6126.9 Ų26.933%0.32615%0.154SC..  trans-56.5131.6168.5-177.1-77000110.9L534 S566 L567L534-D564 PolarHBondContact O-N 3.24Å; L534-D564 VanDerWaalsContact O-N 3.13Å; D564-S566 PolarHBondContact O-N 3.47Å; D564-S566 VanDerWaalsContact OD1-CB 3.29Å; D564-S566 WeakPolarHBondContact OD1-CB 3.25Å; D564-S566 PolarHBondContact OD1-N 3.34Å; D564-S566 PolarHBondContact OD1-OG 3.17Å; D564-L567 HydrophobicContact CB-CD1 4.13Å; D564-L567 HydrophobicContact CB-CG 4.12Å; D564-L567 PolarHBondContact O-N 3.09Å
565P95.1Very high95.3Very high86 Ų8627.6 Ų27.656%0.55816%0.158SC*.THydrogen-bonded Turntrans-53.9-29-176.2-29.736.4000115.4
566S95.6Very high95.4Very high82 Ų8228.3 Ų28.357%0.57316%0.161SC*.THydrogen-bonded Turntrans-71.5-30177.367.60000113.3D564D564-S566 PolarHBondContact O-N 3.47Å; D564-S566 VanDerWaalsContact OD1-CB 3.29Å; D564-S566 WeakPolarHBondContact OD1-CB 3.25Å; D564-S566 PolarHBondContact OD1-N 3.34Å; D564-S566 PolarHBondContact OD1-OG 3.17Å
567L96.1Very high95.4Very high3 Ų329.5 Ų29.52%0.01618%0.176CC..THydrogen-bonded Turntrans-84.5-13.9-175.7-64.6-176.2000114L534 T536 W539 V563 D564 K569 E570 V571L534-L567 HydrophobicContact CG-CD1 4.41Å; T536-L567 HydrophobicContact CG2-CD2 4.23Å; W539-L567 HydrophobicContact CB-CD1 3.74Å; W539-L567 HydrophobicContact CB-CD2 4.43Å; W539-L567 HydrophobicContact CG-CD1 4.05Å; W539-L567 HydrophobicContact CG-CD2 4.27Å; V563-L567 HydrophobicContact CG1-CB 3.84Å; D564-L567 HydrophobicContact CB-CD1 4.13Å; D564-L567 HydrophobicContact CB-CG 4.12Å; D564-L567 PolarHBondContact O-N 3.09Å; L567-K569 VanDerWaalsContact C-N 3.27Å; L567-K569 PolarHBondContact O-N 2.79Å; L567-K569 VanDerWaalsContact O-N 3.14Å; L567-E570 WeakPolarHBondContact O-CA 3.27Å; L567-E570 WeakPolarHBondContact O-CB 3.2Å; L567-E570 PolarHBondContact O-N 3.19Å; L567-V571 HydrophobicContact CB-CG2 3.88Å; L567-V571 HydrophobicContact CD1-CG2 4.5Å; L567-V571 PolarHBondContact O-N 2.99Å
568R96.5Very high95.4Very high16 Ų1629.8 Ų29.86%0.0618%0.177CC..Hα-helixtrans-52.3-42.6-170.5-69.4-179.3167.5145.2-4113.3V563 E570 V571 W572 I937 D1014 E1021V563-R568 HydrophobicContact CB-CG 4.5Å; V563-R568 HydrophobicContact CG1-CG 4.36Å; R568-E570 VanDerWaalsContact C-N 3.27Å; R568-E570 PolarHBondContact O-N 2.95Å; R568-V571 PolarHBondContact O-N 2.84Å; R568-W572 WeakPolarHBondContact O-CB 3.32Å; R568-W572 VanDerWaalsContact O-CG 3.27Å; R568-W572 PolarHBondContact O-N 3.18Å; R568-I937 HydrophobicContact CB-CD1 4.07Å; R568-I937 HydrophobicContact CB-CG2 3.73Å; R568-D1014 IonicContact NH1-OD1 3.18Å; R568-D1014 PolarHBondContact NH1-OD1 3.36Å; R568-E1021 WeakPolarHBondContact CD-OE1 3.42Å; R568-E1021 WeakPolarHBondContact CG-OE1 3.41Å; R568-E1021 IonicContact CZ-OE1 2.88Å; R568-E1021 IonicContact NE-OE1 3.38Å; R568-E1021 PolarHBondContact NE-OE1 3.43Å; R568-E1021 IonicContact NH2-OE1 3.89Å; R568-E1021 IonicContact NH2-OE2 2.88Å
569K96.1Very high95.3Very high105 Ų10530.7 Ų30.746%0.45718%0.18SC..Hα-helixtrans-63.3-28.9178.1-178.6161173.31550113.5L567 I937 L938L567-K569 VanDerWaalsContact C-N 3.27Å; L567-K569 PolarHBondContact O-N 2.79Å; L567-K569 VanDerWaalsContact O-N 3.14Å; K569-I937 HydrophobicContact CB-CG2 4.44Å; K569-L938 WeakPolarHBondContact CE-O 3.27Å; K569-L938 PolarHBondContact NZ-O 3.07Å
570E93.8Very high95Very high80 Ų8034.6 Ų34.637%0.37420%0.199SC..Hα-helixtrans-87.1-40.3175.4-64.1179.6-145.100112.8W539 L567 R568 F574W539-E570 HydrophobicContact CZ2-CB 4.46Å; W539-E570 PolarHBondContact NE1-OE2 2.88Å; L567-E570 WeakPolarHBondContact O-CA 3.27Å; L567-E570 WeakPolarHBondContact O-CB 3.2Å; L567-E570 PolarHBondContact O-N 3.19Å; R568-E570 VanDerWaalsContact C-N 3.27Å; R568-E570 PolarHBondContact O-N 2.95Å; E570-F574 VanDerWaalsContact O-CD2 3.26Å; E570-F574 WeakPolarHBondContact O-CD2 3.43Å; E570-F574 WeakPolarHBondContact O-CE2 3.4Å
571V95.6Very high94.7Very high2 Ų235.1 Ų35.11%0.01220%0.201CC..Hα-helixtrans-85.1-38.3-169.1170.60000112.9L534 W539 V563 L567 R568 F574 L575L534-V571 HydrophobicContact CD2-CG1 3.92Å; L534-V571 HydrophobicContact CD2-CG2 3.91Å; W539-V571 HydrophobicContact CD2-CG2 3.77Å; W539-V571 HydrophobicContact CE3-CG2 4.03Å; W539-V571 HydrophobicContact CG-CG2 4.35Å; W539-V571 HydrophobicContact CH2-CG2 4.04Å; W539-V571 HydrophobicContact CZ2-CG2 3.76Å; W539-V571 HydrophobicContact CZ3-CG2 4.16Å; V563-V571 HydrophobicContact CG1-CB 4Å; V563-V571 HydrophobicContact CG1-CG1 4Å; V563-V571 HydrophobicContact CG1-CG2 4.09Å; V563-V571 HydrophobicContact CG2-CG1 3.89Å; L567-V571 HydrophobicContact CB-CG2 3.88Å; L567-V571 HydrophobicContact CD1-CG2 4.5Å; L567-V571 PolarHBondContact O-N 2.99Å; R568-V571 PolarHBondContact O-N 2.84Å; V571-F574 WeakPolarHBondContact O-CB 3.49Å; V571-F574 PolarHBondContact O-N 3.41Å; V571-L575 HydrophobicContact CG1-CD1 3.85Å; V571-L575 HydrophobicContact CG1-CG 3.95Å; V571-L575 PolarHBondContact O-N 3.01Å; V571-L575 VanDerWaalsContact O-N 3.11Å
572W97.3Very high94.3Very high0 Ų035.3 Ų35.30%020%0.203CC..Hα-helixtrans-56.2-40.5-178.8-78.625.2000113.6R568 F574 L575 L576 P933 L934 I937 F1017 W1020 E1021 W1024R568-W572 WeakPolarHBondContact O-CB 3.32Å; R568-W572 VanDerWaalsContact O-CG 3.27Å; R568-W572 PolarHBondContact O-N 3.18Å; W572-F574 PolarHBondContact O-N 3.44Å; W572-L575 PolarHBondContact O-N 2.86Å; W572-L576 WeakPolarHBondContact O-CB 3.45Å; W572-L576 PolarHBondContact O-N 3.47Å; W572-P933 HydrophobicContact CH2-CB 4.29Å; W572-P933 HydrophobicContact CZ3-CB 4.43Å; W572-L934 HydrophobicContact CE3-CD2 3.9Å; W572-L934 HydrophobicContact CZ3-CD2 3.83Å; W572-I937 HydrophobicContact CD2-CB 4.38Å; W572-I937 HydrophobicContact CD2-CG1 4.4Å; W572-I937 HydrophobicContact CD2-CG2 3.89Å; W572-I937 HydrophobicContact CE3-CB 3.89Å; W572-I937 HydrophobicContact CE3-CG1 4.06Å; W572-I937 HydrophobicContact CE3-CG2 3.8Å; W572-I937 HydrophobicContact CG-CG2 4.31Å; W572-I937 HydrophobicContact CH2-CB 4.38Å; W572-I937 HydrophobicContact CH2-CG1 3.67Å; W572-I937 HydrophobicContact CZ2-CG1 3.98Å; W572-I937 HydrophobicContact CZ3-CB 3.88Å; W572-I937 HydrophobicContact CZ3-CG1 3.68Å; W572-I937 HydrophobicContact CZ3-CG2 4.29Å; W572-F1017 AromaticContact CH2-CD1 3.42Å; W572-F1017 HydrophobicContact CH2-CD1 3.42Å; W572-F1017 VanDerWaalsContact CH2-CD1 3.42Å; W572-F1017 AromaticContact CH2-CE1 3.9Å; W572-F1017 HydrophobicContact CH2-CE1 3.9Å; W572-F1017 HydrophobicContact CH2-CG 4.25Å; W572-F1017 HydrophobicContact CZ2-CB 3.91Å; W572-F1017 AromaticContact CZ2-CD1 3.65Å; W572-F1017 HydrophobicContact CZ2-CD1 3.65Å; W572-F1017 HydrophobicContact CZ2-CE1 4.44Å; W572-F1017 HydrophobicContact CZ2-CG 4.01Å; W572-W1020 HydrophobicContact CH2-CE3 4.44Å; W572-E1021 PolarHBondContact NE1-OE1 2.93Å; W572-W1024 HydrophobicContact CB-CZ3 4.37Å; W572-W1024 AromaticContact CD2-CH2 3.92Å; W572-W1024 HydrophobicContact CD2-CH2 3.92Å; W572-W1024 AromaticContact CD2-CZ3 3.77Å; W572-W1024 HydrophobicContact CD2-CZ3 3.77Å; W572-W1024 AromaticContact CE2-CZ3 3.93Å; W572-W1024 AromaticContact CE3-CH2 3.9Å; W572-W1024 HydrophobicContact CE3-CH2 3.9Å; W572-W1024 HydrophobicContact CE3-CZ3 4.23Å; W572-W1024 HydrophobicContact CG-CH2 4.42Å; W572-W1024 AromaticContact CG-CZ3 3.85Å; W572-W1024 HydrophobicContact CG-CZ3 3.85Å; W572-W1024 HydrophobicContact CH2-CH2 4.27Å; W572-W1024 HydrophobicContact CZ2-CH2 4.33Å; W572-W1024 HydrophobicContact CZ2-CZ3 4.45Å; W572-W1024 HydrophobicContact CZ3-CH2 4.1Å
573P96.6Very high93.9Very high0 Ų036.4 Ų36.40%021%0.209CC..Hα-helixtrans-57.2-29.4172-29.137.6000115.3G577 H578 Y579 L938 K943P573-G577 PolarHBondContact O-N 3.22Å; P573-H578 HydrophobicContact CB-CB 4.19Å; P573-H578 WeakPolarHBondContact O-CA 3.21Å; P573-H578 WeakPolarHBondContact O-CB 3.39Å; P573-H578 PolarHBondContact O-N 2.81Å; P573-Y579 HydrophobicContact CB-CD2 3.57Å; P573-Y579 HydrophobicContact CB-CE2 3.55Å; P573-Y579 HydrophobicContact CB-CG 4.37Å; P573-Y579 HydrophobicContact CG-CE2 4.21Å; P573-Y579 PolarHBondContact O-N 3.42Å; P573-Y579 VanDerWaalsContact O-N 3.09Å; P573-L938 HydrophobicContact CG-CD2 3.93Å; P573-K943 HydrophobicContact CG-CD 4.29Å
574F94.8Very high93.5Very high7 Ų738.2 Ų38.23%0.03122%0.221CC..Hα-helixtrans-78.7-44.3172.5-66.4-94.9000111.6W539 E570 V571 W572 L576 G577 Y579 F581W539-F574 AromaticContact CH2-CD2 3.51Å; W539-F574 HydrophobicContact CH2-CD2 3.51Å; W539-F574 AromaticContact CH2-CE2 3.61Å; W539-F574 HydrophobicContact CH2-CE2 3.61Å; W539-F574 AromaticContact CH2-CG 4Å; W539-F574 HydrophobicContact CH2-CG 4Å; W539-F574 HydrophobicContact CH2-CZ 4.17Å; W539-F574 AromaticContact CZ2-CD2 3.78Å; W539-F574 HydrophobicContact CZ2-CD2 3.78Å; W539-F574 AromaticContact CZ2-CE2 3.55Å; W539-F574 HydrophobicContact CZ2-CE2 3.55Å; W539-F574 HydrophobicContact CZ2-CZ 4.3Å; E570-F574 VanDerWaalsContact O-CD2 3.26Å; E570-F574 WeakPolarHBondContact O-CD2 3.43Å; E570-F574 WeakPolarHBondContact O-CE2 3.4Å; V571-F574 WeakPolarHBondContact O-CB 3.49Å; V571-F574 PolarHBondContact O-N 3.41Å; W572-F574 PolarHBondContact O-N 3.44Å; F574-L576 PolarHBondContact O-N 2.93Å; F574-G577 PolarHBondContact O-N 3.42Å; F574-Y579 AromaticContact CD2-CD2 3.89Å; F574-Y579 HydrophobicContact CD2-CD2 3.89Å; F574-Y579 HydrophobicContact CE1-CD2 4.34Å; F574-Y579 HydrophobicContact CE1-CG 4.46Å; F574-Y579 AromaticContact CE2-CD2 3.61Å; F574-Y579 HydrophobicContact CE2-CD2 3.61Å; F574-Y579 HydrophobicContact CE2-CE2 4.38Å; F574-Y579 HydrophobicContact CE2-CG 4.48Å; F574-Y579 HydrophobicContact CG-CD2 4.38Å; F574-Y579 AromaticContact CZ-CD2 3.88Å; F574-Y579 HydrophobicContact CZ-CD2 3.88Å; F574-Y579 HydrophobicContact CZ-CG 4.37Å; F574-F581 HydrophobicContact CB-CD1 4.44Å; F574-F581 HydrophobicContact CB-CE1 3.87Å; F574-F581 HydrophobicContact CB-CE2 4.12Å; F574-F581 HydrophobicContact CB-CZ 3.7Å; F574-F581 HydrophobicContact CD1-CD1 4.16Å; F574-F581 HydrophobicContact CD1-CE1 4.39Å; F574-F581 HydrophobicContact CD1-CG 4.38Å; F574-F581 HydrophobicContact CG-CE1 4.39Å
575L95.6Very high93.1Very high19 Ų1941.3 Ų41.310%0.09923%0.234CC..Hα-helixtrans-62.1-30.4179.1-63.9178.6000113.1L555 V558 V563 V571 W572 F581 E1021 W1024L555-L575 HydrophobicContact CD2-CD2 3.63Å; V558-L575 HydrophobicContact CG1-CD1 4.14Å; V563-L575 HydrophobicContact CG2-CD1 4.14Å; V571-L575 HydrophobicContact CG1-CD1 3.85Å; V571-L575 HydrophobicContact CG1-CG 3.95Å; V571-L575 PolarHBondContact O-N 3.01Å; V571-L575 VanDerWaalsContact O-N 3.11Å; W572-L575 PolarHBondContact O-N 2.86Å; L575-F581 HydrophobicContact CD2-CZ 4.5Å; L575-E1021 HydrophobicContact CD1-CG 4.41Å; L575-W1024 HydrophobicContact CB-CB 4.35Å; L575-W1024 HydrophobicContact CB-CE3 3.74Å; L575-W1024 HydrophobicContact CB-CZ3 4.49Å; L575-W1024 HydrophobicContact CD1-CE3 4.02Å
576L95.6Very high92.9Very high20 Ų2042.1 Ų42.111%0.10523%0.233CC..THydrogen-bonded Turntrans-90-2173.6-68.9170.3000113.4W572 F574 H578 L934 C947 K950 L951 W1024W572-L576 WeakPolarHBondContact O-CB 3.45Å; W572-L576 PolarHBondContact O-N 3.47Å; F574-L576 PolarHBondContact O-N 2.93Å; L576-H578 VanDerWaalsContact C-N 3.32Å; L576-H578 PolarHBondContact O-N 2.7Å; L576-L934 HydrophobicContact CD1-CD2 3.57Å; L576-C947 HydrophobicContact CD1-CB 3.74Å; L576-K950 WeakPolarHBondContact O-CB 3.44Å; L576-L951 HydrophobicContact CD2-CB 4.2Å; L576-L951 HydrophobicContact CD2-CD1 4.37Å; L576-W1024 HydrophobicContact CD1-CH2 3.92Å; L576-W1024 HydrophobicContact CD1-CZ2 4.17Å; L576-W1024 HydrophobicContact CD1-CZ3 4.32Å; L576-W1024 HydrophobicContact CD2-CD2 3.97Å; L576-W1024 HydrophobicContact CD2-CE3 4.41Å; L576-W1024 HydrophobicContact CD2-CG 4.49Å; L576-W1024 HydrophobicContact CD2-CH2 4.18Å; L576-W1024 HydrophobicContact CD2-CZ2 3.71Å; L576-W1024 HydrophobicContact CG-CD2 4.35Å; L576-W1024 HydrophobicContact CG-CE3 4.3Å; L576-W1024 HydrophobicContact CG-CH2 4.11Å; L576-W1024 HydrophobicContact CG-CZ2 4.16Å; L576-W1024 HydrophobicContact CG-CZ3 4.18Å
577G93.9Very high92.7Very high32 Ų3241.8 Ų41.833%0.3323%0.225SC..THydrogen-bonded Turntrans65.229.5179.400000114.4P573 F574 K950P573-G577 PolarHBondContact O-N 3.22Å; F574-G577 PolarHBondContact O-N 3.42Å; G577-K950 WeakPolarHBondContact O-CD 3.5Å; G577-K950 VanDerWaalsContact O-CE 3.25Å; G577-K950 WeakPolarHBondContact O-CE 3.38Å; G577-K950 PolarHBondContact O-NZ 3.46Å
578H94.9Very high92.6Very high13 Ų1343.3 Ų43.36%0.0623%0.231CC..SBendtrans-67.3-46.2162.4171.773.8000109.7P573 L576 D592 S946P573-H578 HydrophobicContact CB-CB 4.19Å; P573-H578 WeakPolarHBondContact O-CA 3.21Å; P573-H578 WeakPolarHBondContact O-CB 3.39Å; P573-H578 PolarHBondContact O-N 2.81Å; L576-H578 VanDerWaalsContact C-N 3.32Å; L576-H578 PolarHBondContact O-N 2.7Å; H578-D592 IonicContact NE2-OD1 3.33Å; H578-D592 PolarHBondContact NE2-OD1 3.39Å; H578-S946 WeakPolarHBondContact ND1-CB 3.28Å; H578-S946 PolarHBondContact ND1-OG 3.48Å
579Y93.9Very high92.5Very high20 Ų2048.5 Ų48.58%0.07825%0.251CS..SBendtrans-99.8150.1164.6-52-44000110.9P573 F574 R588 V591 D592 K943P573-Y579 HydrophobicContact CB-CD2 3.57Å; P573-Y579 HydrophobicContact CB-CE2 3.55Å; P573-Y579 HydrophobicContact CB-CG 4.37Å; P573-Y579 HydrophobicContact CG-CE2 4.21Å; P573-Y579 PolarHBondContact O-N 3.42Å; P573-Y579 VanDerWaalsContact O-N 3.09Å; F574-Y579 AromaticContact CD2-CD2 3.89Å; F574-Y579 HydrophobicContact CD2-CD2 3.89Å; F574-Y579 HydrophobicContact CE1-CD2 4.34Å; F574-Y579 HydrophobicContact CE1-CG 4.46Å; F574-Y579 AromaticContact CE2-CD2 3.61Å; F574-Y579 HydrophobicContact CE2-CD2 3.61Å; F574-Y579 HydrophobicContact CE2-CE2 4.38Å; F574-Y579 HydrophobicContact CE2-CG 4.48Å; F574-Y579 HydrophobicContact CG-CD2 4.38Å; F574-Y579 AromaticContact CZ-CD2 3.88Å; F574-Y579 HydrophobicContact CZ-CD2 3.88Å; F574-Y579 HydrophobicContact CZ-CG 4.37Å; Y579-R588 HydrophobicContact CD1-CB 4.11Å; Y579-R588 HydrophobicContact CD1-CG 3.67Å; Y579-R588 HydrophobicContact CD2-CG 4.32Å; Y579-R588 HydrophobicContact CE1-CB 3.95Å; Y579-R588 HydrophobicContact CE1-CG 4.03Å; Y579-R588 HydrophobicContact CG-CG 3.84Å; Y579-V591 HydrophobicContact CD1-CG1 4.19Å; Y579-V591 HydrophobicContact CE1-CG1 4.21Å; Y579-D592 WeakPolarHBondContact CE1-OD1 3.37Å; Y579-D592 PolarHBondContact OH-OD1 3Å; Y579-K943 WeakPolarHBondContact OH-CE 3.49Å
580Q89.4Confident92.4Very high91 Ų9149.8 Ų49.843%0.42526%0.258SS..PPolyproline II helixtrans-88.5143.7166.7-74.7154.5-52.200110.2G582 T583 E839Q580-G582 PolarHBondContact O-N 2.91Å; Q580-T583 HydrophobicContact CB-CG2 3.89Å; Q580-T583 WeakPolarHBondContact O-CG2 3.45Å; Q580-T583 PolarHBondContact O-N 3.37Å; Q580-T583 PolarHBondContact O-OG1 3.32Å; Q580-E839 PolarHBondContact NE2-OE1 2.88Å
581F87.7Confident92.5Very high47 Ų4748.5 Ų48.521%0.20626%0.255CS..THydrogen-bonded Turntrans-62.8132173.6-71.8-86.1000110.6F542 E551 L554 L555 F574 L575F542-F581 HydrophobicContact CE1-CD1 4.07Å; F542-F581 HydrophobicContact CZ-CB 4.32Å; F542-F581 AromaticContact CZ-CD1 3.93Å; F542-F581 HydrophobicContact CZ-CD1 3.93Å; E551-F581 HydrophobicContact CB-CB 4.31Å; E551-F581 HydrophobicContact CB-CG 4.33Å; E551-F581 HydrophobicContact CG-CB 4.22Å; E551-F581 HydrophobicContact CG-CD1 4.45Å; E551-F581 HydrophobicContact CG-CD2 3.62Å; E551-F581 HydrophobicContact CG-CE2 4.04Å; E551-F581 HydrophobicContact CG-CG 3.85Å; E551-F581 WeakPolarHBondContact OE1-CD2 3.31Å; L554-F581 HydrophobicContact CD1-CD1 4.02Å; L554-F581 HydrophobicContact CD1-CE1 4.01Å; L555-F581 HydrophobicContact CD2-CZ 4.28Å; F574-F581 HydrophobicContact CB-CD1 4.44Å; F574-F581 HydrophobicContact CB-CE1 3.87Å; F574-F581 HydrophobicContact CB-CE2 4.12Å; F574-F581 HydrophobicContact CB-CZ 3.7Å; F574-F581 HydrophobicContact CD1-CD1 4.16Å; F574-F581 HydrophobicContact CD1-CE1 4.39Å; F574-F581 HydrophobicContact CD1-CG 4.38Å; F574-F581 HydrophobicContact CG-CE1 4.39Å; L575-F581 HydrophobicContact CD2-CZ 4.5Å
582G83.8Confident92.5Very high41 Ų4150.7 Ų50.742%0.42327%0.267SS..THydrogen-bonded Turntrans93.3-6.7-178.400000115.6Q580Q580-G582 PolarHBondContact O-N 2.91Å
583T86.8Confident92.5Very high31 Ų3157 Ų5719%0.1930%0.297CS..  trans-63.1143.5170.149.90000111.9Q580 R588Q580-T583 HydrophobicContact CB-CG2 3.89Å; Q580-T583 WeakPolarHBondContact O-CG2 3.45Å; Q580-T583 PolarHBondContact O-N 3.37Å; Q580-T583 PolarHBondContact O-OG1 3.32Å; T583-R588 WeakPolarHBondContact OG1-CG 3.49Å
584S88.2Confident92.4Very high46 Ų4662.7 Ų62.732%0.32232%0.323SS..  trans-74.7174.7179.574.50000112.3D586 D587 R588S584-D586 VanDerWaalsContact C-N 3.25Å; S584-D586 PolarHBondContact OG-N 3.49Å; S584-D587 WeakPolarHBondContact CA-OD2 3.46Å; S584-D587 WeakPolarHBondContact CB-OD2 3.42Å; S584-D587 PolarHBondContact N-OD2 3.14Å; S584-D587 PolarHBondContact OG-N 3.5Å; S584-D587 PolarHBondContact OG-OD2 3.26Å; S584-R588 WeakPolarHBondContact O-CB 3.48Å; S584-R588 VanDerWaalsContact O-CG 3.3Å; S584-R588 WeakPolarHBondContact O-CG 3.28Å; S584-R588 PolarHBondContact O-N 2.84Å; S584-R588 PolarHBondContact O-NE 3.39Å; S584-R588 VanDerWaalsContact O-NE 3.16Å
585E88.5Confident92.5Very high127 Ų12763.3 Ų63.359%0.59333%0.327SS*.Hα-helixtrans-69.1-23.1169.8-77.2-178.1175.900113.2R589E585-R589 WeakPolarHBondContact O-CG 3.45Å; E585-R589 PolarHBondContact O-N 3.37Å; E585-R589 PolarHBondContact O-NH1 3.48Å
586D90.4Very high92.6Very high102 Ų10265.9 Ų65.955%0.54534%0.338SS..Hα-helixtrans-78-48.6177.7-67.7-22.2000110.4S584 R588 R589 E590S584-D586 VanDerWaalsContact C-N 3.25Å; S584-D586 PolarHBondContact OG-N 3.49Å; D586-R588 VanDerWaalsContact C-N 3.27Å; D586-R588 PolarHBondContact O-N 3.06Å; D586-R589 PolarHBondContact O-N 3.12Å; D586-R589 VanDerWaalsContact O-N 3.09Å; D586-R589 IonicContact OD1-CZ 3.23Å; D586-R589 IonicContact OD1-NH1 3.6Å; D586-R589 PolarHBondContact OD1-NH1 2.89Å; D586-R589 IonicContact OD1-NH2 2.72Å; D586-R589 PolarHBondContact OD1-NH2 2.84Å; D586-E590 PolarHBondContact O-N 3.5Å; D586-E590 VanDerWaalsContact O-N 3.08Å
587D92Very high92.7Very high76 Ų7667.6 Ų67.641%0.40636%0.355SS..Hα-helixtrans-58.8-39.9177-44.3-51.8000111.4S584 R589 E590 V591S584-D587 WeakPolarHBondContact CA-OD2 3.46Å; S584-D587 WeakPolarHBondContact CB-OD2 3.42Å; S584-D587 PolarHBondContact N-OD2 3.14Å; S584-D587 PolarHBondContact OG-N 3.5Å; S584-D587 PolarHBondContact OG-OD2 3.26Å; D587-R589 VanDerWaalsContact C-N 3.34Å; D587-R589 PolarHBondContact O-N 3.45Å; D587-E590 PolarHBondContact O-N 3.38Å; D587-V591 WeakPolarHBondContact O-CG2 3.41Å; D587-V591 PolarHBondContact O-N 2.94Å
588R93.1Very high92.8Very high35 Ų3567 Ų6713%0.13235%0.346CS..Hα-helixtrans-68.5-29.6178.6-72.9-174.5-69.7138.1-5113.1Y579 T583 S584 D586 D592Y579-R588 HydrophobicContact CD1-CB 4.11Å; Y579-R588 HydrophobicContact CD1-CG 3.67Å; Y579-R588 HydrophobicContact CD2-CG 4.32Å; Y579-R588 HydrophobicContact CE1-CB 3.95Å; Y579-R588 HydrophobicContact CE1-CG 4.03Å; Y579-R588 HydrophobicContact CG-CG 3.84Å; T583-R588 WeakPolarHBondContact OG1-CG 3.49Å; S584-R588 WeakPolarHBondContact O-CB 3.48Å; S584-R588 VanDerWaalsContact O-CG 3.3Å; S584-R588 WeakPolarHBondContact O-CG 3.28Å; S584-R588 PolarHBondContact O-N 2.84Å; S584-R588 PolarHBondContact O-NE 3.39Å; S584-R588 VanDerWaalsContact O-NE 3.16Å; D586-R588 VanDerWaalsContact C-N 3.27Å; D586-R588 PolarHBondContact O-N 3.06Å; R588-D592 WeakPolarHBondContact O-CB 3.44Å; R588-D592 PolarHBondContact O-N 3.05Å
589R94.1Very high93Very high125 Ų12566.5 Ų66.547%0.47234%0.343SS..Hα-helixtrans-72.1-38.5170.6-72-167.7-39.4-80.3-1.1111.9E585 D586 D587 V591 D592 E593E585-R589 WeakPolarHBondContact O-CG 3.45Å; E585-R589 PolarHBondContact O-N 3.37Å; E585-R589 PolarHBondContact O-NH1 3.48Å; D586-R589 PolarHBondContact O-N 3.12Å; D586-R589 VanDerWaalsContact O-N 3.09Å; D586-R589 IonicContact OD1-CZ 3.23Å; D586-R589 IonicContact OD1-NH1 3.6Å; D586-R589 PolarHBondContact OD1-NH1 2.89Å; D586-R589 IonicContact OD1-NH2 2.72Å; D586-R589 PolarHBondContact OD1-NH2 2.84Å; D587-R589 VanDerWaalsContact C-N 3.34Å; D587-R589 PolarHBondContact O-N 3.45Å; R589-V591 VanDerWaalsContact C-N 3.31Å; R589-V591 PolarHBondContact O-N 2.84Å; R589-D592 PolarHBondContact O-N 2.81Å; R589-E593 WeakPolarHBondContact O-CB 3.36Å; R589-E593 WeakPolarHBondContact O-CG 3.47Å; R589-E593 PolarHBondContact O-N 3.49Å
590E95.2Very high93.1Very high132 Ų13270 Ų7062%0.61736%0.36SS*.Hα-helixtrans-62-40.4174.3-173172.5177.700111.4D586 D587 Q594D586-E590 PolarHBondContact O-N 3.5Å; D586-E590 VanDerWaalsContact O-N 3.08Å; D587-E590 PolarHBondContact O-N 3.38Å; E590-Q594 VanDerWaalsContact O-CB 3.22Å; E590-Q594 WeakPolarHBondContact O-CB 3.34Å; E590-Q594 PolarHBondContact O-N 2.93Å
591V95.1Very high93.5Very high52 Ų5270.9 Ų70.932%0.31537%0.365SS..Hα-helixtrans-63.4-44172.6171.20000112.1Y579 D587 R589 M595Y579-V591 HydrophobicContact CD1-CG1 4.19Å; Y579-V591 HydrophobicContact CE1-CG1 4.21Å; D587-V591 WeakPolarHBondContact O-CG2 3.41Å; D587-V591 PolarHBondContact O-N 2.94Å; R589-V591 VanDerWaalsContact C-N 3.31Å; R589-V591 PolarHBondContact O-N 2.84Å; V591-M595 WeakPolarHBondContact O-CB 3.33Å; V591-M595 PolarHBondContact O-N 2.87Å
592D95.3Very high94Very high48 Ų4869 Ų6926%0.25736%0.357SS..Hα-helixtrans-61.9-47.5175.6-94.625.2000111.9H578 Y579 R588 R589 M595 Q596 K943H578-D592 IonicContact NE2-OD1 3.33Å; H578-D592 PolarHBondContact NE2-OD1 3.39Å; Y579-D592 WeakPolarHBondContact CE1-OD1 3.37Å; Y579-D592 PolarHBondContact OH-OD1 3Å; R588-D592 WeakPolarHBondContact O-CB 3.44Å; R588-D592 PolarHBondContact O-N 3.05Å; R589-D592 PolarHBondContact O-N 2.81Å; D592-M595 PolarHBondContact O-N 3.27Å; D592-Q596 WeakPolarHBondContact O-CB 3.34Å; D592-Q596 PolarHBondContact O-N 2.97Å; D592-K943 VanDerWaalsContact OD1-CE 3.31Å; D592-K943 WeakPolarHBondContact OD1-CE 3.41Å; D592-K943 IonicContact OD1-NZ 3.77Å; D592-K943 PolarHBondContact OD1-NZ 2.96Å; D592-K943 VanDerWaalsContact OD2-CE 3.29Å; D592-K943 WeakPolarHBondContact OD2-CE 3.48Å; D592-K943 IonicContact OD2-NZ 3.71Å; D592-K943 PolarHBondContact OD2-NZ 3.49Å
593E96.6Very high94.6Very high134 Ų13469 Ų6963%0.62635%0.346SS*.Hα-helixtrans-65.7-44.2-179.8-73.4176.2-157.700111.8R589 M595 Q596 A597R589-E593 WeakPolarHBondContact O-CB 3.36Å; R589-E593 WeakPolarHBondContact O-CG 3.47Å; R589-E593 PolarHBondContact O-N 3.49Å; E593-M595 VanDerWaalsContact C-N 3.32Å; E593-M595 PolarHBondContact O-N 2.79Å; E593-Q596 PolarHBondContact O-N 3.33Å; E593-A597 PolarHBondContact O-N 2.95Å
594Q96.2Very high95.1Very high119 Ų11971 Ų7156%0.55636%0.362SS*.Hα-helixtrans-62.9-39.7173.9-176.8-179.679.300111.4E590 S598E590-Q594 VanDerWaalsContact O-CB 3.22Å; E590-Q594 WeakPolarHBondContact O-CB 3.34Å; E590-Q594 PolarHBondContact O-N 2.93Å; Q594-S598 VanDerWaalsContact O-CB 3.24Å; Q594-S598 WeakPolarHBondContact O-CB 2.7Å; Q594-S598 PolarHBondContact O-N 2.8Å
595M95.6Very high95.5Very high20 Ų2072.1 Ų72.110%0.09936%0.362CS..Hα-helixtrans-69.4-41178.5-171.669.3-92.400111.7V591 D592 E593 S598 Y599 A942 F945 S946V591-M595 WeakPolarHBondContact O-CB 3.33Å; V591-M595 PolarHBondContact O-N 2.87Å; D592-M595 PolarHBondContact O-N 3.27Å; E593-M595 VanDerWaalsContact C-N 3.32Å; E593-M595 PolarHBondContact O-N 2.79Å; M595-S598 PolarHBondContact O-N 3.26Å; M595-Y599 VanDerWaalsContact O-CB 3.3Å; M595-Y599 WeakPolarHBondContact O-CB 3.22Å; M595-Y599 PolarHBondContact O-N 2.83Å; M595-A942 HydrophobicContact CG-CB 4.43Å; M595-F945 HydrophobicContact CE-CD1 3.62Å; M595-F945 HydrophobicContact CE-CE1 3.51Å; M595-F945 HydrophobicContact SD-CD1 4.24Å; M595-F945 HydrophobicContact SD-CE1 4.42Å; M595-S946 WeakPolarHBondContact SD-CB 3.17Å; M595-S946 PolarHBondContact SD-OG 2.92Å
596Q97.4Very high95.8Very high73 Ų7366 Ų6634%0.34133%0.334SS..Hα-helixtrans-59.7-53.7175.6-176.565.823.300110.8D592 E593 S598 Y599 E600D592-Q596 WeakPolarHBondContact O-CB 3.34Å; D592-Q596 PolarHBondContact O-N 2.97Å; E593-Q596 PolarHBondContact O-N 3.33Å; Q596-S598 VanDerWaalsContact C-N 3.31Å; Q596-S598 PolarHBondContact O-N 2.82Å; Q596-Y599 PolarHBondContact O-N 3.48Å; Q596-Y599 VanDerWaalsContact O-N 3.12Å; Q596-E600 PolarHBondContact NE2-OE1 2.86Å; Q596-E600 WeakPolarHBondContact O-CG 3.25Å; Q596-E600 PolarHBondContact O-N 2.8Å
597A97.8Very high96.2Very high55 Ų5565 Ų6546%0.45533%0.327SS..Hα-helixtrans-60.1-40.4179.600000112.4E593 Q601E593-A597 PolarHBondContact O-N 2.95Å; A597-Q601 WeakPolarHBondContact O-CB 3.39Å; A597-Q601 PolarHBondContact O-N 2.96Å
598S97.1Very high96.3Very high21 Ų2163.8 Ų63.815%0.14733%0.328CS..Hα-helixtrans-68-36.5176.7-170.10000112.3Q594 M595 Q596 T602 R917Q594-S598 VanDerWaalsContact O-CB 3.24Å; Q594-S598 WeakPolarHBondContact O-CB 2.7Å; Q594-S598 PolarHBondContact O-N 2.8Å; M595-S598 PolarHBondContact O-N 3.26Å; Q596-S598 VanDerWaalsContact C-N 3.31Å; Q596-S598 PolarHBondContact O-N 2.82Å; S598-T602 PolarHBondContact O-N 2.93Å; S598-T602 PolarHBondContact O-OG1 3Å; S598-R917 PolarHBondContact O-NH2 2.96Å; S598-R917 PolarHBondContact OG-NH2 3.33Å
599Y97.9Very high96.4Very high1 Ų162.1 Ų62.10%0.00432%0.322CS..Hα-helixtrans-67.3-47.2174.8178.4-102.4000111.6M595 Q596 Q601 T602 M603 N909 V910 S913 E941 A942 F945M595-Y599 VanDerWaalsContact O-CB 3.3Å; M595-Y599 WeakPolarHBondContact O-CB 3.22Å; M595-Y599 PolarHBondContact O-N 2.83Å; Q596-Y599 PolarHBondContact O-N 3.48Å; Q596-Y599 VanDerWaalsContact O-N 3.12Å; Y599-Q601 VanDerWaalsContact C-N 3.34Å; Y599-Q601 PolarHBondContact O-N 2.87Å; Y599-T602 PolarHBondContact O-N 3.19Å; Y599-M603 HydrophobicContact CE1-CE 4.41Å; Y599-M603 HydrophobicContact CE1-SD 4.04Å; Y599-M603 WeakPolarHBondContact O-CB 3.16Å; Y599-M603 PolarHBondContact O-N 3.3Å; Y599-N909 WeakPolarHBondContact OH-CB 3.27Å; Y599-V910 HydrophobicContact CE2-CG2 4.21Å; Y599-V910 PolarHBondContact OH-N 3.01Å; Y599-S913 VanDerWaalsContact CE2-OG 3.27Å; Y599-S913 WeakPolarHBondContact CE2-OG 3.42Å; Y599-E941 HydrophobicContact CE1-CB 3.7Å; Y599-A942 HydrophobicContact CD1-CB 4.05Å; Y599-A942 HydrophobicContact CG-CB 3.95Å; Y599-F945 HydrophobicContact CD2-CB 3.72Å; Y599-F945 AromaticContact CD2-CD1 3.94Å; Y599-F945 HydrophobicContact CD2-CD1 3.94Å; Y599-F945 AromaticContact CD2-CD2 3.94Å; Y599-F945 HydrophobicContact CD2-CD2 3.94Å; Y599-F945 AromaticContact CD2-CG 3.58Å; Y599-F945 HydrophobicContact CD2-CG 3.58Å; Y599-F945 HydrophobicContact CE2-CB 3.83Å; Y599-F945 HydrophobicContact CE2-CD2 4.05Å; Y599-F945 AromaticContact CE2-CG 3.96Å; Y599-F945 HydrophobicContact CE2-CG 3.96Å
600E97.8Very high96.4Very high93 Ų9357.2 Ų57.244%0.43531%0.305SS..Hα-helixtrans-60-39.8177-72.9176.4-179.300112.6Q596 M603 S604Q596-E600 PolarHBondContact NE2-OE1 2.86Å; Q596-E600 WeakPolarHBondContact O-CG 3.25Å; Q596-E600 PolarHBondContact O-N 2.8Å; E600-M603 PolarHBondContact O-N 2.9Å; E600-S604 WeakPolarHBondContact O-CB 3.46Å; E600-S604 PolarHBondContact O-N 2.84Å; E600-S604 PolarHBondContact O-OG 3.37Å
601Q97.6Very high96.3Very high111 Ų11155.8 Ų55.852%0.51930%0.298SS..Hα-helixtrans-60.8-53.8173.2-173.6-165-36.900111A597 Y599 M603 S604 E605A597-Q601 WeakPolarHBondContact O-CB 3.39Å; A597-Q601 PolarHBondContact O-N 2.96Å; Y599-Q601 VanDerWaalsContact C-N 3.34Å; Y599-Q601 PolarHBondContact O-N 2.87Å; Q601-M603 VanDerWaalsContact C-N 3.27Å; Q601-M603 PolarHBondContact O-N 3.29Å; Q601-S604 WeakPolarHBondContact O-CB 3.23Å; Q601-S604 PolarHBondContact O-N 2.82Å; Q601-S604 VanDerWaalsContact O-N 3.13Å; Q601-E605 PolarHBondContact NE2-OE1 2.9Å; Q601-E605 WeakPolarHBondContact O-CG 3.42Å; Q601-E605 PolarHBondContact O-N 2.8Å
602T97.4Very high96.3Very high6 Ų654.9 Ų54.94%0.03729%0.292CS..Hα-helixtrans-58.7-38.9178.2-74.30000112.3S598 Y599 E605 W606 W916 R917S598-T602 PolarHBondContact O-N 2.93Å; S598-T602 PolarHBondContact O-OG1 3Å; Y599-T602 PolarHBondContact O-N 3.19Å; T602-E605 PolarHBondContact O-N 3.11Å; T602-W606 PolarHBondContact O-N 3.49Å; T602-W606 VanDerWaalsContact O-N 3.12Å; T602-W916 HydrophobicContact CG2-CB 4.45Å; T602-R917 HydrophobicContact CG2-CG 4.18Å; T602-R917 VanDerWaalsContact OG1-CZ 3.28Å; T602-R917 PolarHBondContact OG1-NE 2.94Å; T602-R917 PolarHBondContact OG1-NH2 3.04Å
603M97.3Very high96.1Very high41 Ų4152.7 Ų52.720%0.20228%0.281CS..Hα-helixtrans-65.4-41.5176.3-172.5166.369.500111.8Y599 E600 Q601 E605 W606 L607 N909Y599-M603 HydrophobicContact CE1-CE 4.41Å; Y599-M603 HydrophobicContact CE1-SD 4.04Å; Y599-M603 WeakPolarHBondContact O-CB 3.16Å; Y599-M603 PolarHBondContact O-N 3.3Å; E600-M603 PolarHBondContact O-N 2.9Å; Q601-M603 VanDerWaalsContact C-N 3.27Å; Q601-M603 PolarHBondContact O-N 3.29Å; M603-E605 VanDerWaalsContact C-N 3.33Å; M603-E605 PolarHBondContact O-N 3.27Å; M603-W606 HydrophobicContact CG-CH2 4.4Å; M603-W606 HydrophobicContact CG-CZ2 3.73Å; M603-W606 PolarHBondContact O-N 3.34Å; M603-W606 HydrophobicContact SD-CZ2 4.41Å; M603-L607 HydrophobicContact CG-CD1 3.73Å; M603-L607 HydrophobicContact CG-CG 4.27Å; M603-L607 VanDerWaalsContact O-CB 3.26Å; M603-L607 WeakPolarHBondContact O-CB 3.06Å; M603-L607 VanDerWaalsContact O-CG 3.23Å; M603-L607 WeakPolarHBondContact O-CG 3.4Å; M603-L607 PolarHBondContact O-N 3.31Å; M603-N909 HydrophobicContact SD-CB 4.44Å
604S97.1Very high95.9Very high75 Ų7550 Ų5052%0.52427%0.265SS..Hα-helixtrans-62.7-39.2175.1-56.70000112.3E600 Q601 A608E600-S604 WeakPolarHBondContact O-CB 3.46Å; E600-S604 PolarHBondContact O-N 2.84Å; E600-S604 PolarHBondContact O-OG 3.37Å; Q601-S604 WeakPolarHBondContact O-CB 3.23Å; Q601-S604 PolarHBondContact O-N 2.82Å; Q601-S604 VanDerWaalsContact O-N 3.13Å; S604-A608 WeakPolarHBondContact O-CB 3.39Å; S604-A608 PolarHBondContact O-N 3.2Å; S604-A608 VanDerWaalsContact O-N 3.16Å
605E95.5Very high95.7Very high68 Ų6849.9 Ų49.932%0.31826%0.264SS..Hα-helixtrans-64.4-48.1177.4-70.7167.4-166.100112.8Q601 T602 M603 C609 Y870 W916Q601-E605 PolarHBondContact NE2-OE1 2.9Å; Q601-E605 WeakPolarHBondContact O-CG 3.42Å; Q601-E605 PolarHBondContact O-N 2.8Å; T602-E605 PolarHBondContact O-N 3.11Å; M603-E605 VanDerWaalsContact C-N 3.33Å; M603-E605 PolarHBondContact O-N 3.27Å; E605-C609 PolarHBondContact O-N 3.28Å; E605-Y870 PolarHBondContact O-OH 3.35Å; E605-W916 HydrophobicContact CB-CZ2 4.03Å; E605-W916 PolarHBondContact OE2-NE1 3.31Å
606W96.1Very high95.4Very high0 Ų052 Ų520%027%0.271CS..Hα-helixtrans-78.8-28.8-17969.7-112.9000113.5T602 M603 C609 E610 Y878 N909 C912 S913 W916T602-W606 PolarHBondContact O-N 3.49Å; T602-W606 VanDerWaalsContact O-N 3.12Å; M603-W606 HydrophobicContact CG-CH2 4.4Å; M603-W606 HydrophobicContact CG-CZ2 3.73Å; M603-W606 PolarHBondContact O-N 3.34Å; M603-W606 HydrophobicContact SD-CZ2 4.41Å; W606-C609 CarbonylContact O-C 3.54Å; W606-C609 WeakPolarHBondContact O-CB 3.34Å; W606-C609 PolarHBondContact O-N 3.49Å; W606-E610 WeakPolarHBondContact CZ3-OE2 3.5Å; W606-E610 WeakPolarHBondContact O-CB 3.33Å; W606-E610 PolarHBondContact O-N 2.81Å; W606-Y878 HydrophobicContact CB-CE2 4.23Å; W606-Y878 VanDerWaalsContact CE3-OH 3.22Å; W606-N909 HydrophobicContact CH2-CB 4.44Å; W606-N909 HydrophobicContact CZ2-CB 4.19Å; W606-C912 HydrophobicContact CD2-CB 3.78Å; W606-C912 HydrophobicContact CE3-CB 4.04Å; W606-C912 HydrophobicContact CG-CB 4.42Å; W606-C912 HydrophobicContact CH2-CB 3.94Å; W606-C912 HydrophobicContact CZ2-CB 3.63Å; W606-C912 HydrophobicContact CZ3-CB 4.11Å; W606-S913 VanDerWaalsContact NE1-CA 3.34Å; W606-S913 VanDerWaalsContact NE1-N 3.19Å; W606-S913 PolarHBondContact NE1-OG 3.49Å; W606-W916 HydrophobicContact CB-CB 4.17Å; W606-W916 HydrophobicContact CB-CD2 3.56Å; W606-W916 HydrophobicContact CB-CE3 3.56Å; W606-W916 HydrophobicContact CB-CG 3.85Å; W606-W916 HydrophobicContact CB-CZ3 4.12Å; W606-W916 HydrophobicContact CG-CB 4.46Å
607L96.9Very high95Very high79 Ų7950.7 Ų50.741%0.41427%0.265SS..Hα-helixtrans-64.1-41171.2-77.7169.8000111.6M603 C609 E610 E611M603-L607 HydrophobicContact CG-CD1 3.73Å; M603-L607 HydrophobicContact CG-CG 4.27Å; M603-L607 VanDerWaalsContact O-CB 3.26Å; M603-L607 WeakPolarHBondContact O-CB 3.06Å; M603-L607 VanDerWaalsContact O-CG 3.23Å; M603-L607 WeakPolarHBondContact O-CG 3.4Å; M603-L607 PolarHBondContact O-N 3.31Å; L607-C609 VanDerWaalsContact C-N 3.26Å; L607-C609 PolarHBondContact O-N 3.5Å; L607-E610 PolarHBondContact O-N 2.79Å; L607-E611 PolarHBondContact O-N 2.89Å
608A95Very high94.7Very high52 Ų5253.2 Ų53.243%0.4327%0.266SS..Hα-helixtrans-65.7-29.417400000112.6S604 Y870S604-A608 WeakPolarHBondContact O-CB 3.39Å; S604-A608 PolarHBondContact O-N 3.2Å; S604-A608 VanDerWaalsContact O-N 3.16Å; A608-Y870 WeakPolarHBondContact CB-OH 3.41Å
609C94.4Very high94.5Very high0 Ų058.3 Ų58.30%029%0.287CS..Hα-helixtrans-74.2-39170.6-1600000111.9E605 W606 L607 V612 V613 Y870 Y878 W916E605-C609 PolarHBondContact O-N 3.28Å; W606-C609 CarbonylContact O-C 3.54Å; W606-C609 WeakPolarHBondContact O-CB 3.34Å; W606-C609 PolarHBondContact O-N 3.49Å; L607-C609 VanDerWaalsContact C-N 3.26Å; L607-C609 PolarHBondContact O-N 3.5Å; C609-V612 PolarHBondContact O-N 3.46Å; C609-V613 WeakPolarHBondContact O-CG2 3.47Å; C609-V613 PolarHBondContact O-N 2.83Å; C609-Y870 HydrophobicContact CB-CD1 4.44Å; C609-Y870 HydrophobicContact CB-CD2 4.44Å; C609-Y870 HydrophobicContact CB-CE1 3.95Å; C609-Y870 HydrophobicContact CB-CE2 3.97Å; C609-Y870 PolarHBondContact N-OH 3.32Å; C609-Y878 HydrophobicContact CB-CD1 4.31Å; C609-Y878 HydrophobicContact CB-CE1 4.39Å; C609-W916 HydrophobicContact CB-CH2 3.46Å; C609-W916 VanDerWaalsContact CB-CH2 3.46Å; C609-W916 HydrophobicContact CB-CZ3 3.61Å
610E94.7Very high94.1Very high22 Ų2263.5 Ų63.510%0.10331%0.311CS..Hα-helixtrans-63.6-44-179.5-167.6-174.4143.600112.2W606 L607 V612 V613 R614 Y878 L882 R908W606-E610 WeakPolarHBondContact CZ3-OE2 3.5Å; W606-E610 WeakPolarHBondContact O-CB 3.33Å; W606-E610 PolarHBondContact O-N 2.81Å; L607-E610 PolarHBondContact O-N 2.79Å; E610-V612 VanDerWaalsContact C-N 3.28Å; E610-V612 PolarHBondContact O-N 2.84Å; E610-V613 CarbonylContact O-C 3.54Å; E610-V613 WeakPolarHBondContact O-CA 3.29Å; E610-V613 WeakPolarHBondContact O-CB 3.29Å; E610-V613 PolarHBondContact O-N 3.27Å; E610-R614 HydrophobicContact CG-CG 4.14Å; E610-R614 VanDerWaalsContact O-CG 3.24Å; E610-R614 WeakPolarHBondContact O-CG 3.46Å; E610-R614 PolarHBondContact O-N 2.94Å; E610-Y878 HydrophobicContact CB-CE1 4.12Å; E610-L882 HydrophobicContact CG-CD2 3.83Å; E610-R908 IonicContact OE1-CZ 2.69Å; E610-R908 IonicContact OE1-NH1 2.69Å; E610-R908 IonicContact OE1-NH2 3.61Å; E610-R908 PolarHBondContact OE1-NH2 3.16Å; E610-R908 IonicContact OE2-CZ 3.17Å; E610-R908 IonicContact OE2-NH1 2.72Å; E610-R908 PolarHBondContact OE2-NH1 2.87Å; E610-R908 IonicContact OE2-NH2 3.33Å; E610-R908 PolarHBondContact OE2-NH2 3.08Å
611E94.3Very high93.7Very high101 Ų10164.9 Ų64.947%0.47232%0.318SS..Hα-helixtrans-65-34179.1-171.255.5-138.900111.7L607 V613 R614 E615 K618L607-E611 PolarHBondContact O-N 2.89Å; E611-V613 VanDerWaalsContact C-N 3.35Å; E611-V613 PolarHBondContact O-N 3.44Å; E611-R614 PolarHBondContact O-N 2.83Å; E611-E615 WeakPolarHBondContact O-CB 3.49Å; E611-E615 PolarHBondContact O-N 2.93Å; E611-K618 IonicContact OE1-NZ 3.99Å; E611-K618 PolarHBondContact OE1-NZ 3.22Å
612V93.8Very high93.4Very high34 Ų3462.3 Ų62.321%0.20632%0.315CS..Hα-helixtrans-63.5-40.1171.6173.70000111.4C609 E610 R616 Y870 L875C609-V612 PolarHBondContact O-N 3.46Å; E610-V612 VanDerWaalsContact C-N 3.28Å; E610-V612 PolarHBondContact O-N 2.84Å; V612-R616 VanDerWaalsContact O-CB 3.26Å; V612-R616 WeakPolarHBondContact O-CB 3.37Å; V612-R616 PolarHBondContact O-N 2.84Å; V612-Y870 HydrophobicContact CG2-CD2 4.37Å; V612-Y870 HydrophobicContact CG2-CE2 4.38Å; V612-L875 HydrophobicContact CB-CD2 4.32Å; V612-L875 HydrophobicContact CG1-CD1 4.27Å; V612-L875 HydrophobicContact CG1-CD2 3.77Å
613V92.1Very high93.1Very high2 Ų264 Ų641%0.01233%0.33CS..Hα-helixtrans-65.2-46173.5171.30000110.8C609 E610 E611 E615 R616 E617 L875 Y878 T879C609-V613 WeakPolarHBondContact O-CG2 3.47Å; C609-V613 PolarHBondContact O-N 2.83Å; E610-V613 CarbonylContact O-C 3.54Å; E610-V613 WeakPolarHBondContact O-CA 3.29Å; E610-V613 WeakPolarHBondContact O-CB 3.29Å; E610-V613 PolarHBondContact O-N 3.27Å; E611-V613 VanDerWaalsContact C-N 3.35Å; E611-V613 PolarHBondContact O-N 3.44Å; V613-E615 PolarHBondContact O-N 2.83Å; V613-R616 PolarHBondContact O-N 2.84Å; V613-E617 HydrophobicContact CG1-CG 4.48Å; V613-E617 WeakPolarHBondContact CG1-OE1 3.25Å; V613-E617 WeakPolarHBondContact O-CB 3.43Å; V613-E617 WeakPolarHBondContact O-CG 3.32Å; V613-E617 PolarHBondContact O-N 2.8Å; V613-L875 HydrophobicContact CG2-CD2 3.95Å; V613-Y878 HydrophobicContact CG2-CD1 4.33Å; V613-T879 HydrophobicContact CG1-CG2 3.88Å; V613-T879 VanDerWaalsContact CG1-OG1 3.31Å; V613-T879 WeakPolarHBondContact CG1-OG1 3.45Å; V613-T879 VanDerWaalsContact CG2-OG1 3.31Å; V613-T879 WeakPolarHBondContact CG2-OG1 3.4Å
614R90.9Very high92.6Very high78 Ų7864.3 Ų64.329%0.29434%0.339SS..Hα-helixtrans-61.8-40.9177.5-65.5-122.758.161.220.8111.7E610 E611 E617 K618E610-R614 HydrophobicContact CG-CG 4.14Å; E610-R614 VanDerWaalsContact O-CG 3.24Å; E610-R614 WeakPolarHBondContact O-CG 3.46Å; E610-R614 PolarHBondContact O-N 2.94Å; E611-R614 PolarHBondContact O-N 2.83Å; R614-E617 IonicContact CZ-OE2 3.21Å; R614-E617 IonicContact NH1-OE2 2.96Å; R614-E617 PolarHBondContact NH1-OE2 3.17Å; R614-E617 IonicContact NH2-OE2 2.62Å; R614-E617 PolarHBondContact NH2-OE2 3Å; R614-K618 WeakPolarHBondContact O-CD 3.25Å; R614-K618 WeakPolarHBondContact O-CE 3.42Å; R614-K618 WeakPolarHBondContact O-CG 3.42Å; R614-K618 PolarHBondContact O-N 2.88Å
615E91.9Very high92.2Very high115 Ų11565.6 Ų65.654%0.53734%0.34SS..Hα-helixtrans-63.6-50.6175.2-173.6167.8-132.600110.9E611 V613 E617 K618 E619E611-E615 WeakPolarHBondContact O-CB 3.49Å; E611-E615 PolarHBondContact O-N 2.93Å; V613-E615 PolarHBondContact O-N 2.83Å; E615-E617 VanDerWaalsContact C-N 3.29Å; E615-E617 PolarHBondContact O-N 2.84Å; E615-K618 WeakPolarHBondContact O-CB 3.29Å; E615-K618 PolarHBondContact O-N 2.85Å; E615-K618 VanDerWaalsContact O-N 3.09Å; E615-E619 PolarHBondContact O-N 3.15Å
616R89.8Confident91.9Very high66 Ų6665 Ų6525%0.24935%0.346CS..Hα-helixtrans-59.8-36.1176.4-173.7176.4179.8-122.48.5112.8V612 V613 Q620 Q872 D876V612-R616 VanDerWaalsContact O-CB 3.26Å; V612-R616 WeakPolarHBondContact O-CB 3.37Å; V612-R616 PolarHBondContact O-N 2.84Å; V613-R616 PolarHBondContact O-N 2.84Å; R616-Q620 WeakPolarHBondContact O-CB 3.37Å; R616-Q620 VanDerWaalsContact O-CG 3.24Å; R616-Q620 WeakPolarHBondContact O-CG 3.3Å; R616-Q620 PolarHBondContact O-N 3.39Å; R616-Q872 VanDerWaalsContact CZ-NE2 3.32Å; R616-D876 IonicContact CZ-OD1 3.79Å; R616-D876 IonicContact NH1-OD1 3.27Å; R616-D876 PolarHBondContact NH1-OD1 3.4Å; R616-D876 IonicContact NH2-OD1 2.74Å; R616-D876 PolarHBondContact NH2-OD1 3.44Å
617E90Very high91.4Very high44 Ų4471.9 Ų71.921%0.20638%0.376CS..Hα-helixtrans-66-45.9172-78.8175.1-168.100112.3V613 R614 E615 E619 Q620 H621 H883V613-E617 HydrophobicContact CG1-CG 4.48Å; V613-E617 WeakPolarHBondContact CG1-OE1 3.25Å; V613-E617 WeakPolarHBondContact O-CB 3.43Å; V613-E617 WeakPolarHBondContact O-CG 3.32Å; V613-E617 PolarHBondContact O-N 2.8Å; R614-E617 IonicContact CZ-OE2 3.21Å; R614-E617 IonicContact NH1-OE2 2.96Å; R614-E617 PolarHBondContact NH1-OE2 3.17Å; R614-E617 IonicContact NH2-OE2 2.62Å; R614-E617 PolarHBondContact NH2-OE2 3Å; E615-E617 VanDerWaalsContact C-N 3.29Å; E615-E617 PolarHBondContact O-N 2.84Å; E617-E619 VanDerWaalsContact C-N 3.33Å; E617-E619 PolarHBondContact O-N 2.89Å; E617-Q620 PolarHBondContact O-N 2.92Å; E617-H621 WeakPolarHBondContact O-CB 3.44Å; E617-H621 PolarHBondContact O-N 3.42Å; E617-H883 IonicContact OE1-CE1 2.65Å; E617-H883 PolarHBondContact OE1-CE1 3.41Å; E617-H883 VanDerWaalsContact OE1-CE1 3.23Å; E617-H883 IonicContact OE1-NE2 3.17Å
618K91.3Very high90.5Very high108 Ų10872.5 Ų72.547%0.4739%0.386SS..Hα-helixtrans-58.2-46175.4-66.7158.2-153.8164.70110.3E611 R614 E615 H621 A622E611-K618 IonicContact OE1-NZ 3.99Å; E611-K618 PolarHBondContact OE1-NZ 3.22Å; R614-K618 WeakPolarHBondContact O-CD 3.25Å; R614-K618 WeakPolarHBondContact O-CE 3.42Å; R614-K618 WeakPolarHBondContact O-CG 3.42Å; R614-K618 PolarHBondContact O-N 2.88Å; E615-K618 WeakPolarHBondContact O-CB 3.29Å; E615-K618 PolarHBondContact O-N 2.85Å; E615-K618 VanDerWaalsContact O-N 3.09Å; K618-H621 PolarHBondContact O-N 3.19Å; K618-A622 WeakPolarHBondContact O-CB 3.48Å; K618-A622 PolarHBondContact O-N 2.85Å
619E92.1Very high89.4Confident129 Ų12973.8 Ų73.860%0.60339%0.392SS*.Hα-helixtrans-61.4-48.6176.1-72.2-166.9142.400112.5E615 E617 H621 A622 A623E615-E619 PolarHBondContact O-N 3.15Å; E617-E619 VanDerWaalsContact C-N 3.33Å; E617-E619 PolarHBondContact O-N 2.89Å; E619-H621 VanDerWaalsContact C-N 3.33Å; E619-H621 PolarHBondContact O-N 2.89Å; E619-A622 PolarHBondContact O-N 3.32Å; E619-A623 VanDerWaalsContact O-CB 3.26Å; E619-A623 WeakPolarHBondContact O-CB 3.41Å; E619-A623 PolarHBondContact O-N 2.87Å
620Q89.2Confident87.7Confident109 Ų10977 Ų7751%0.50942%0.415SS..Hα-helixtrans-62.3-40.6178.8-76-179.832.500111.9R616 E617 A623 A624R616-Q620 WeakPolarHBondContact O-CB 3.37Å; R616-Q620 VanDerWaalsContact O-CG 3.24Å; R616-Q620 WeakPolarHBondContact O-CG 3.3Å; R616-Q620 PolarHBondContact O-N 3.39Å; E617-Q620 PolarHBondContact O-N 2.92Å; Q620-A623 PolarHBondContact O-N 2.97Å; Q620-A624 WeakPolarHBondContact O-CB 3.3Å; Q620-A624 PolarHBondContact O-N 3.32Å
621H90.1Very high85.9Confident123 Ų12381.7 Ų81.757%0.56944%0.444SS*.Hα-helixtrans-65.7-47.1176.6-171.172.8000111.6E617 K618 E619 A623 A624 L625E617-H621 WeakPolarHBondContact O-CB 3.44Å; E617-H621 PolarHBondContact O-N 3.42Å; K618-H621 PolarHBondContact O-N 3.19Å; E619-H621 VanDerWaalsContact C-N 3.33Å; E619-H621 PolarHBondContact O-N 2.89Å; H621-A623 VanDerWaalsContact C-N 3.33Å; H621-A623 PolarHBondContact O-N 2.93Å; H621-A624 PolarHBondContact O-N 3.09Å; H621-L625 WeakPolarHBondContact O-CG 3.45Å; H621-L625 PolarHBondContact O-N 3.42Å
622A91.7Very high83.8Confident56 Ų5681.3 Ų81.346%0.46346%0.458SS..Hα-helixtrans-60.1-41.817500000112K618 E619 A624 L625 A626K618-A622 WeakPolarHBondContact O-CB 3.48Å; K618-A622 PolarHBondContact O-N 2.85Å; E619-A622 PolarHBondContact O-N 3.32Å; A622-A624 PolarHBondContact O-N 3.15Å; A622-L625 PolarHBondContact O-N 3.27Å; A622-A626 VanDerWaalsContact O-CB 3.3Å; A622-A626 WeakPolarHBondContact O-CB 3.13Å; A622-A626 PolarHBondContact O-N 3.06Å
623A90.1Very high81.6Confident42 Ų4284.4 Ų84.435%0.34748%0.481SS..Hα-helixtrans-66.5-34.2175.800000112.8E619 Q620 H621 K627E619-A623 VanDerWaalsContact O-CB 3.26Å; E619-A623 WeakPolarHBondContact O-CB 3.41Å; E619-A623 PolarHBondContact O-N 2.87Å; Q620-A623 PolarHBondContact O-N 2.97Å; H621-A623 VanDerWaalsContact C-N 3.33Å; H621-A623 PolarHBondContact O-N 2.93Å; A623-K627 WeakPolarHBondContact O-CB 3.07Å; A623-K627 WeakPolarHBondContact O-CD 3.45Å; A623-K627 WeakPolarHBondContact O-CG 3.42Å; A623-K627 PolarHBondContact O-N 2.9Å
624A88Confident79.6Confident48 Ų4890.2 Ų90.240%0.39752%0.517SS..Hα-helixtrans-68.6-4617400000111.7Q620 H621 A622 K627 C628Q620-A624 WeakPolarHBondContact O-CB 3.3Å; Q620-A624 PolarHBondContact O-N 3.32Å; H621-A624 PolarHBondContact O-N 3.09Å; A622-A624 PolarHBondContact O-N 3.15Å; A624-K627 PolarHBondContact O-N 3.34Å; A624-C628 PolarHBondContact O-N 2.95Å; A624-C628 PolarHBondContact O-SG 3.35Å
625L89.1Confident77.2Confident102 Ų10294.1 Ų94.153%0.53454%0.543SS..Hα-helixtrans-60-46174.5-70.3175000111.7H621 A622 K627 C628 S629H621-L625 WeakPolarHBondContact O-CG 3.45Å; H621-L625 PolarHBondContact O-N 3.42Å; A622-L625 PolarHBondContact O-N 3.27Å; L625-K627 PolarHBondContact O-N 3.49Å; L625-C628 PolarHBondContact O-N 3.12Å; L625-S629 PolarHBondContact O-N 3.33Å
626A87.6Confident74.7Confident55 Ų5593.9 Ų93.946%0.45556%0.555SS.*Hα-helixtrans-58.4-46.8176.400000111.7A622 C628 S629 S630A622-A626 VanDerWaalsContact O-CB 3.3Å; A622-A626 WeakPolarHBondContact O-CB 3.13Å; A622-A626 PolarHBondContact O-N 3.06Å; A626-C628 PolarHBondContact O-N 2.86Å; A626-S629 PolarHBondContact O-N 3.27Å; A626-S629 PolarHBondContact O-OG 2.85Å; A626-S630 PolarHBondContact O-N 3.28Å; A626-S630 VanDerWaalsContact O-N 3.07Å
627K86.8Confident72.2Confident144 Ų14496 Ų9663%0.62658%0.579SS**Hα-helixtrans-58.4-47174.8-74.6165.9-174.5172.40111.6A623 A624 L625 S629 S630 V631A623-K627 WeakPolarHBondContact O-CB 3.07Å; A623-K627 WeakPolarHBondContact O-CD 3.45Å; A623-K627 WeakPolarHBondContact O-CG 3.42Å; A623-K627 PolarHBondContact O-N 2.9Å; A624-K627 PolarHBondContact O-N 3.34Å; L625-K627 PolarHBondContact O-N 3.49Å; K627-S629 VanDerWaalsContact C-N 3.34Å; K627-S629 PolarHBondContact O-N 2.9Å; K627-S630 PolarHBondContact O-N 3.4Å; K627-S630 PolarHBondContact O-OG 2.93Å; K627-V631 PolarHBondContact O-N 3.07Å
628C77.3Confident69.8Low92 Ų9299.1 Ų99.162%0.62261%0.606SS**Hα-helixtrans-60.1-42.3177.7-64.40000112.3A624 L625 A626 S630 V631A624-C628 PolarHBondContact O-N 2.95Å; A624-C628 PolarHBondContact O-SG 3.35Å; L625-C628 PolarHBondContact O-N 3.12Å; A626-C628 PolarHBondContact O-N 2.86Å; C628-S630 VanDerWaalsContact C-N 3.34Å; C628-S630 PolarHBondContact O-N 3.36Å; C628-V631 PolarHBondContact O-N 3.02Å
629S71.7Confident67.1Low80 Ų80103 Ų10356%0.55963%0.626SS**Hα-helixtrans-63.8-36.4177.675.70000113.1L625 A626 K627 A632L625-S629 PolarHBondContact O-N 3.33Å; A626-S629 PolarHBondContact O-N 3.27Å; A626-S629 PolarHBondContact O-OG 2.85Å; K627-S629 VanDerWaalsContact C-N 3.34Å; K627-S629 PolarHBondContact O-N 2.9Å; S629-A632 PolarHBondContact O-N 2.95Å
630S59Low64.4Low68 Ų68107.1 Ų107.148%0.47664%0.636SS.*Hα-helixtrans-69.1-34.4-178.670.90000113.4A626 K627 C628 A632 S633A626-S630 PolarHBondContact O-N 3.28Å; A626-S630 VanDerWaalsContact O-N 3.07Å; K627-S630 PolarHBondContact O-N 3.4Å; K627-S630 PolarHBondContact O-OG 2.93Å; C628-S630 VanDerWaalsContact C-N 3.34Å; C628-S630 PolarHBondContact O-N 3.36Å; S630-A632 VanDerWaalsContact C-N 3.33Å; S630-A632 PolarHBondContact O-N 3.03Å; S630-S633 PolarHBondContact O-N 2.94Å
631V56.4Low61.7Low120 Ų120109 Ų10973%0.72765%0.647SS**Hα-helixtrans-71.4-29.3179.7176.20000111.7K627 C628 S633K627-V631 PolarHBondContact O-N 3.07Å; C628-V631 PolarHBondContact O-N 3.02Å; V631-S633 PolarHBondContact O-N 2.86Å
632A50.3Low59Low92 Ų92107.8 Ų107.876%0.7665%0.648SS**THydrogen-bonded Turntrans-72.8-8176.200000114.2S629 S630S629-A632 PolarHBondContact O-N 2.95Å; S630-A632 VanDerWaalsContact C-N 3.33Å; S630-A632 PolarHBondContact O-N 3.03Å
633S47.9Very low56.1Low99 Ų99112.8 Ų112.869%0.69266%0.661SS**THydrogen-bonded Turntrans-101.16.8-170.2-169.50000115.1S630 V631S630-S633 PolarHBondContact O-N 2.94Å; V631-S633 PolarHBondContact O-N 2.86Å
634V51.1Low53.5Low125 Ų125118.4 Ų118.476%0.75868%0.68SS**  trans-130.366.2-171.5-162.90000113.1
635D39.6Very low50.6Low159 Ų159122.7 Ų122.785%0.8570%0.696SS**  trans-146.481.3156.6-167.310.3000112.8
636S39.6Very low48.6Very low111 Ų111122.7 Ų122.778%0.77671%0.705SS**  trans-165.260.6168.166.10000115.8
637S37.6Very low46.1Very low110 Ų110126.2 Ų126.277%0.76972%0.721SS**  trans175.6111.4140.359.50000116.6
638S38.9Very low43.5Very low109 Ų109124.6 Ų124.676%0.76272%0.723SS**  49.3128.8126-62.80000124
639Q35.4Very low41.3Very low191 Ų191125.2 Ų125.289%0.89373%0.728SS**  trans78.7162.4154.2-60.7174.814.500119.7
640R35.4Very low39.4Very low214 Ų214127.4 Ų127.481%0.80873%0.733SS**  cis-174.9136.7-47.8-157.6-175.3-168.2-1784109.3
641M32.6Very low38Very low150 Ų150131.9 Ų131.974%0.73975%0.747SS**  trans64.6166.3161.1-81.9160.563.700117.8
642T32.2Very low37Very low97 Ų97130 Ų13060%0.59574%0.739SS**  cis-172.2152.3-46.731.20000109.8
643H32.5Very low36.1Very low161 Ų161133.2 Ų133.275%0.74574%0.738SS**  trans68.6128.9161.6-71.7-62.3000117.4
644H34.1Very low35.2Very low159 Ų159133.4 Ų133.474%0.73674%0.739SS**  64.1145.287-82-101.4000114.4
645D27.3Very low34.3Very low139 Ų139131.8 Ų131.874%0.74373%0.734SS**  cis-150.8-176.422.5-139.1-17.7000115.7
646S46.6Very low33.7Very low101 Ų101132.5 Ų132.571%0.70673%0.732SS**  trans-115.3163.2-172.7-51.90000115.4
647T36.7Very low33.2Very low129 Ų129131.9 Ų131.979%0.79173%0.728SS**  trans168.1165.5152.623.90000109.1
648V31.3Very low32.9Very low111 Ų111131.1 Ų131.167%0.67372%0.722SS**  cis-123.2141-2.7178.50000106.8N650V648-N650 WeakPolarHBondContact CG1-OD1 3.4Å
649S30.1Very low32.3Very low104 Ų104133.1 Ų133.173%0.72772%0.724SS**  cis97.43318.1-44.40000117.9
650N32.1Very low31.9Very low126 Ų126135.4 Ų135.467%0.67473%0.725SS**  trans-124.8150.4162.6-7278.6000108.6V648V648-N650 WeakPolarHBondContact CG1-OD1 3.4Å
651E30.1Very low31.5Very low162 Ų162134.2 Ų134.276%0.75773%0.728SS**  cis-140.7-136.2-0.6-155.7140.9106.300111.7
652S36Very low31.3Very low82 Ų82132.2 Ų132.257%0.57373%0.729SS**  trans-155.2173.5-160.840.30000112.3
653H31Very low31Very low159 Ų159136 Ų13674%0.73675%0.745SS**  cis-153.2141.933.6-65.6-96.9000117
654S28.9Very low30.7Very low102 Ų102132.2 Ų132.271%0.71374%0.741SS**  trans46.9128139.166.10000120.4
655S31.9Very low30.4Very low92 Ų92135.6 Ų135.664%0.64375%0.747SS**  cis-171.1173.29.7-109.70000109
656H27.2Very low30.4Very low173 Ų173135.4 Ų135.480%0.80175%0.745SS**  cis-151.9-155.610.7-127.3-36.4000112.3
657S29.5Very low29.4Very low99 Ų99138.2 Ų138.269%0.69275%0.748SS**  trans-59.9151.8173.547.40000116
658S30.2Very low29Very low93 Ų93136.4 Ų136.465%0.6574%0.74SS**  cis-164.4142.60.343.90000112.5
659D26.9Very low28.7Very low151 Ų151138.1 Ų138.181%0.80775%0.746SS**  trans37.6134.8132.5-44.7-36.4000120.3
660R27.2Very low28.5Very low240 Ų240138.6 Ų138.691%0.90675%0.749SS**  cis-160.9134.610.4-147.4175.3176.1-168.4-1.7112.3
661E28.2Very low28.3Very low189 Ų189138.5 Ų138.588%0.88376%0.758SS**  trans-138.6158.8169.3-80.8-172.7164.800107.7
662S27.5Very low27.9Very low107 Ų107136.1 Ų136.175%0.74876%0.759SS**  cis-157.1168.1-13.253.30000108.4
663L25.1Very low27.4Very low178 Ų178137.9 Ų137.993%0.93277%0.771SS**  trans-158.6150.3146.4-115.6172.3000108.5
664A27.7Very low27.2Very low81 Ų81136.5 Ų136.567%0.66978%0.775SS**  trans-140155.6-158.600000114.7
665R27.4Very low27Very low230 Ų230140.7 Ų140.787%0.86878%0.783SS**  trans81.7117.3149-84.5-179.5-172.2-167.32.3120.6
666L27.4Very low26.5Very low134 Ų134143 Ų14370%0.70279%0.792SS**  trans100.5113.2134-61.5164.2000120.6
667Q24.9Very low26.3Very low161 Ų161144.2 Ų144.275%0.75280%0.796SS**  71.6122123.8-74.2176.4-44.700123.3
668S27.8Very low26Very low90 Ų90148 Ų14863%0.62980%0.803SS**  90.2120.3120.8-75.50000123.4
669D26.3Very low25.7Very low148 Ų148148.9 Ų148.979%0.79181%0.809SS**  91.4132.9121.6-600.1000124.1
670S25.4Very low25.6Very low113 Ų113147.8 Ų147.879%0.7981%0.807SS**  trans75.5138.7145.4-154.50000121.2
671S26.8Very low25.7Very low125 Ų125145.3 Ų145.387%0.87481%0.806SS**  trans-160.3112.3156.1-77.30000109.5
672S22.9Very low25.5Very low112 Ų112145.6 Ų145.678%0.78381%0.807SS**  trans-83.3166165-171.70000110
673S25Very low25.5Very low118 Ų118148.7 Ų148.783%0.82581%0.81SS**  trans-141.7141.1165.160.50000111.2
674T26.6Very low25.5Very low131 Ų131145.4 Ų145.480%0.80479%0.793SS**  trans-110.6154.9-157.8-24.50000111.7
675Q24.9Very low25.3Very low189 Ų189148.7 Ų148.788%0.88380%0.795SS**PPolyproline II helixtrans-85.5151.6159.7-70.4-171.7-13.300110.3
676V22.1Very low25.2Very low140 Ų140144 Ų14485%0.84879%0.792SS**PPolyproline II helixtrans-98.7135.9-178.7175.60000109.5
677F23.1Very low25.1Very low199 Ų199146.2 Ų146.287%0.87380%0.798SS**PPolyproline II helixtrans-98.6146.3163.3-111.7-91.4000109.7
678E23.2Very low25Very low179 Ų179144.4 Ų144.484%0.83680%0.804SS**  trans-106.3129174.9-174.2170-155.900109
679S24.1Very low24.9Very low111 Ų111148.9 Ų148.978%0.77682%0.815SS**  trans-123.3143.9179.4-64.20000109.7
680V24.9Very low24.7Very low128 Ų128147 Ų14778%0.77681%0.813SS**  trans-130.5121171.8-179.30000109.1
681E28.2Very low24.7Very low189 Ų189150.8 Ų150.888%0.88382%0.815SS**  trans-102.7139.9162.9-63-179.2128.900108.8
682E25.3Very low24.6Very low195 Ų195149.7 Ų149.791%0.91180%0.804SS**  trans-140.9149.3154-78.6-159.6137.900108.9
683Q26.6Very low24.7Very low172 Ų172152.7 Ų152.780%0.80481%0.805SS**  trans-128.9134.4-168.3-164.5-166-34.200113.1
684D24.8Very low24.8Very low109 Ų109154.8 Ų154.858%0.58380%0.802SS**  trans75.9130.9153.3-92.5-46.6000123.6
685Q23.7Very low24.8Very low150 Ų150152.3 Ų152.370%0.70180%0.795SS**  trans61.3109.9140.1-70.5162.256.100121.7
686T24.6Very low24.8Very low130 Ų130151.1 Ų151.180%0.79879%0.787SS**  -175.1145.188.724.50000115.2
687E25.6Very low24.9Very low181 Ų181152.7 Ų152.785%0.84679%0.785SS**  trans34149.7152.1-61-161.1141.400126
688S23.8Very low24.9Very low123 Ų123150.9 Ų150.986%0.8678%0.783SS**  trans105.9151145.678.90000119.3
689E24.9Very low25.7Very low185 Ų185147 Ų14786%0.86477%0.774SS**  trans-93.8165.1-152.2-54.2176.8102.900115.6
690S23Very low25.7Very low108 Ų108151.1 Ų151.176%0.75578%0.778SS**  116.294.812975.40000120.8
691K25.3Very low25.9Very low192 Ų192152.8 Ų152.884%0.83578%0.779SS**  72.1137.8109-142.5-178.1-169.9175.60121.1
692T23.7Very low26.1Very low103 Ų103149.6 Ų149.663%0.63277%0.774SS**  trans87.7104.1148.58.40000121.2
693E25.7Very low26.1Very low175 Ų175148 Ų14882%0.81877%0.772SS**  80.9140.5123.6-84.7175.9176.400126.4
694E26.6Very low25.9Very low162 Ų162143.5 Ų143.576%0.75777%0.772SS**  trans6393.5143.1-65.5-133.6127.800124.3
695A26.3Very low25.8Very low79 Ų79142.7 Ų142.765%0.65378%0.781SS**  81.2152.8100.200000124.2
696K25.8Very low25.8Very low163 Ų163141.7 Ų141.771%0.70978%0.784SS**  trans81.9112.2152.8-77170.5-177.1151.70122.3
697Q23.4Very low25.9Very low173 Ų173143.4 Ų143.481%0.80878%0.784SS**  85.3120.9120.9-71.3173.6-26.100122
698L22.7Very low25.9Very low162 Ų162141.2 Ų141.285%0.84878%0.777SS**  trans-34.6163.7140.2-103.878.3000114.3
699P40.4Very low26Very low97 Ų97144.1 Ų144.163%0.6378%0.778SS**  cis-149.5-166.229.241.7-20.3000117.5
700K23.5Very low26Very low198 Ų198139.7 Ų139.786%0.86177%0.767SS**  trans89.8125.5146-82.7176.2-179.9178.50121.5
701M30.1Very low26.2Very low163 Ų163139.1 Ų139.180%0.80376%0.763SS**  trans-77.3166.2150.4-59.9-145.774.100111.6
702P33.1Very low26.2Very low121 Ų121135.7 Ų135.779%0.78676%0.763SS**  -148.4171.196.939.6-23.2000117.2
703N24.4Very low27.3Very low161 Ų161136.9 Ų136.986%0.86177%0.772SS**  trans-38.1146.3179.3-63.2-12.5000120.7
704G23.5Very low27.2Very low79 Ų79135.7 Ų135.781%0.81477%0.772SS**  trans98.3162.7135.200000118.3
705A22.4Very low27.3Very low91 Ų91133.2 Ų133.275%0.75277%0.773SS**  cis-168.4130.7-12.900000112.1
706V23.5Very low27.2Very low129 Ų129133 Ų13378%0.78278%0.778SS**  trans47.5127.1149.4-156.40000120.6
707Q26.3Very low27.3Very low167 Ų167134 Ų13478%0.7879%0.785SS**  169.9127.2115.4-91-177.320.500116.2
708N26.5Very low27.5Very low134 Ų134131.6 Ų131.672%0.71778%0.784SS**  trans58.1152.6136.5-64.39.9000121.9
709E24.2Very low27.7Very low185 Ų185128.9 Ų128.986%0.86478%0.778SS**  cis-105.4-145.8-0.5-71.5-167.2178.600110.9
710S26.2Very low27Very low92 Ų92128.8 Ų128.864%0.64378%0.78SS**  cis-158.8168.73.2700000115.4
711S26.4Very low27Very low96 Ų96129 Ų12967%0.67178%0.775SS**  trans58.7110.2150.657.70000121.4
712S26.4Very low26.7Very low120 Ų120126.4 Ų126.484%0.83977%0.765SS**  trans82.3155.3141-58.80000120.4
713P45.5Very low26.3Very low127 Ų127129.8 Ų129.883%0.82577%0.768SS**  trans-131.2-161-160.944.3-25.8000114.5
714D24.2Very low26.1Very low151 Ų151126.5 Ų126.581%0.80776%0.757SS**  trans103177.2161.3-149.98.6000116.9
715S28.3Very low26.1Very low110 Ų110128.3 Ų128.377%0.76975%0.752SS**  trans-109.9162.3-143.1-50.20000113.9
716G24.9Very low26Very low74 Ų74129.4 Ų129.476%0.76375%0.749SS**  trans135.9129.1146.900000117.5
717H28.1Very low26.1Very low185 Ų185128.4 Ų128.486%0.85675%0.749SS**  trans-68.9150.4142.9-104.3-54.8000108.5
718P27.6Very low26.1Very low122 Ų122123.6 Ų123.679%0.79274%0.744SS**  -143177.386.138.7-23.1000115.1
719S27.1Very low26.2Very low104 Ų104125.1 Ų125.173%0.72775%0.751SS**  trans-108.6158.6169.61770000110.5
720S25.2Very low26.4Very low95 Ų95120.6 Ų120.666%0.66474%0.74SS**  trans70.5158.8171.585.10000115.6
721R23.5Very low26.3Very low202 Ų202123.6 Ų123.676%0.76275%0.749SS**  cis-136.9158.711.7-102.4-170.6171.484.7-5.7112.4
722N23.7Very low26.2Very low110 Ų110122.7 Ų122.759%0.58875%0.754SS**  trans21.8135.2139.2-45.14.3000119.7
723F23.6Very low26.2Very low192 Ų192121.3 Ų121.384%0.84274%0.744SS**  -159131.6100.4-87.8-81000105.7V725F723-V725 HydrophobicContact CD1-CG2 4.37Å
724S21.6Very low25.1Very low91 Ų91124.1 Ų124.164%0.63674%0.744SS**  cis76.515537.8-49.40000114.1
725V22.6Very low25Very low118 Ų118122.3 Ų122.372%0.71574%0.743SS**  trans89.2131.5165.8-172.10000117.8F723F723-V725 HydrophobicContact CD1-CG2 4.37Å
726T21.4Very low24.8Very low113 Ų113123.1 Ų123.169%0.69374%0.744SS**  cis-166.5163.3-40.646.90000109.7
727S24Very low24.9Very low109 Ų109129 Ų12976%0.76275%0.751SS**  trans43.9140.6132.770.60000124
728G26.5Very low24.7Very low66 Ų66127.1 Ų127.168%0.6875%0.747SS**  trans168.1138.713800000111.4
729L29.5Very low24.7Very low166 Ų166126 Ų12687%0.86974%0.742SS**  cis-154.7166.6-2-73.1174.8000105.8
730S27.7Very low24.6Very low89 Ų89126.7 Ų126.762%0.62275%0.748SS**  cis-166179.8-1.1-1160000106.8
731D24.9Very low24.6Very low156 Ų156126.5 Ų126.583%0.83475%0.752SS**  cis-156.31618-127.31.1000111.1
732G24.5Very low25.9Very low76 Ų76122.8 Ų122.878%0.78475%0.754SS**  trans16653.5175.500000117.5
733S24.8Very low26Very low91 Ų91125.5 Ų125.564%0.63677%0.768SS**  trans-61.7156.2-178.2-141.90000113.3
734F22.9Very low26.3Very low187 Ų187120.3 Ų120.382%0.8276%0.761SS**  -164.1152.461.3-88.9-78.5000117.3
735S22.8Very low26.6Very low112 Ų112122 Ų12278%0.78377%0.773SS**  trans86.4145.8146.3-660000122
736T23.4Very low26.9Very low128 Ų128124.1 Ų124.179%0.78578%0.775SS**  trans-121.8162.2-16847.90000112.2
737E26.4Very low27.2Very low197 Ų197129.5 Ų129.592%0.92178%0.782SS**  -169.3176.7121.2-104.5171.3-175.400111.8
738D24.7Very low27.3Very low145 Ų145129.2 Ų129.278%0.77578%0.78SS**  trans-134.7164.3-152.3179.728.2000113.1
739S26.8Very low27.1Very low98 Ų98133.2 Ų133.269%0.68579%0.792SS**  trans151.9106.5141.4-69.60000116.8
740S25.4Very low26.9Very low120 Ų120129.4 Ų129.484%0.83978%0.784SS**  trans64.2160.3134.670.70000123.6
741A25.2Very low26.9Very low91 Ų91132 Ų13275%0.75280%0.796SS**  trans-133.5-146178.900000109.3
742P51.9Low28.3Very low124 Ų124129.8 Ų129.881%0.80579%0.79SS**  cis-126.5-177.8-41.940-25.8000112.7
743D24.8Very low28.2Very low166 Ų166133.2 Ų133.289%0.88879%0.79SS**  trans-157.1173.1143.4-151.1-8.7000111.8
744A30.4Very low28.2Very low83 Ų83136.4 Ų136.469%0.68680%0.796SS**  trans-140164.2-164.100000115.6
745S27.2Very low28.2Very low127 Ų127132 Ų13289%0.88879%0.789SS**  trans-168.4156.3147.524.40000115.7
746Q30.5Very low28.3Very low162 Ų162136.4 Ų136.476%0.75780%0.797SS**  trans-69.8-179.6-176.4-54.2166.2300112.3
747R26.5Very low28.4Very low226 Ų226135.5 Ų135.585%0.85380%0.796SS**  cis-166.3172.931.7-151.4170.6-166175.45112.2
748S26.3Very low28.3Very low103 Ų103131.9 Ų131.972%0.7279%0.792SS**  trans-113.4163.1-168.948.50000115.5
749T23Very low28.3Very low151 Ų151129.8 Ų129.893%0.92680%0.795SS**  trans-168.3165.9148.90.90000112.4
750A24.4Very low28.1Very low85 Ų85134.7 Ų134.770%0.70280%0.804SS**  trans-156.8-171-179.200000112.2
751V29.1Very low28.1Very low143 Ų143133.6 Ų133.687%0.86780%0.802SS**  trans73.1160.1169-101.30000117.6
752P53.7Low28Very low111 Ų111133.7 Ų133.772%0.72180%0.803SS**  -136.5-154.3-122.144.2-23.1000114.9
753L22.8Very low26.7Very low147 Ų147133.1 Ų133.177%0.7781%0.809SS**  144.5128.1125-15587.6000116.1
754M23.1Very low26.7Very low158 Ų158129 Ų12978%0.77881%0.806SS**  trans54.7127.5146.3-83.6-171.7155.600126.4
755S24.2Very low26.4Very low96 Ų96134.4 Ų134.467%0.67182%0.817SS**  69.2124.1121.4-55.10000124
756Q25.2Very low26.3Very low204 Ų204133 Ų13395%0.95381%0.813SS**  trans-156.6170131.4-120.5167.878.300112.3
757S24.1Very low25.9Very low108 Ų108135.1 Ų135.176%0.75582%0.823SS**  trans-152.5176.9-162.766.60000115.2
758S25.9Very low25.8Very low121 Ų121128.8 Ų128.885%0.84682%0.819SS**  trans76.7156179.981.60000115.7
759A23.7Very low25.8Very low101 Ų101131.4 Ų131.484%0.83582%0.824SS**  cis-134.9-164.51300000114.1
760K23.1Very low25.9Very low202 Ų202130.1 Ų130.188%0.87882%0.816SS**  trans-143.4149.5-159.4-178.1-178.7177.6179.40113.8
761A25.3Very low25.8Very low96 Ų96133.2 Ų133.279%0.79383%0.826SS**  trans74.6158.216900000116.5
762A23.4Very low25.5Very low93 Ų93132.6 Ų132.677%0.76981%0.814SS**  cis-152.6164.811.300000114.8
763A24.5Very low24.1Very low113 Ų113133.3 Ų133.393%0.93482%0.821SS**  trans67.1135.1153.300000120.8
764G24.5Very low24.2Very low80 Ų80134.1 Ų134.183%0.82582%0.821SS**  trans150.479175.300000111.8
765E24Very low24.2Very low196 Ų196133.5 Ų133.592%0.91683%0.826SS**  trans-86.4136.3-173-69-179.7130.600114
766A24.2Very low24.2Very low98 Ų98133.2 Ų133.281%0.8183%0.83SS**  trans36135.3136.100000122.3
767E23.3Very low24.1Very low205 Ų205128.1 Ų128.196%0.95882%0.816SS**  trans-136.3155.8134.7-150.2167.5-131.300108.6
768A24Very low24.2Very low93 Ų93131.5 Ų131.577%0.76982%0.82SS**  trans-128.4179.2-156.200000114.8
769L26.7Very low24.2Very low158 Ų158133.9 Ų133.983%0.82782%0.818SS**  trans-58.7156172.2-54.791.9000111.7
770T24.1Very low24.3Very low125 Ų125138.7 Ų138.777%0.76782%0.82SS**  -173148.5116.718.30000112.9
771V23.2Very low24.3Very low150 Ų150135 Ų13591%0.90981%0.81SS**  trans-124.8136.4135.7173.70000105.6
772E23Very low24.3Very low130 Ų130139.3 Ų139.361%0.60781%0.811SS**  trans-82.3159.1-169-60.3172.190.300113.8Q774E772-Q774 PolarHBondContact OE1-NE2 3.39Å
773S23.6Very low24.4Very low125 Ų125138.2 Ų138.287%0.87481%0.809SS**  trans-144133.7135.1-77.90000108.7
774Q24.7Very low24.5Very low164 Ų164141.6 Ų141.677%0.76681%0.805SS**  trans-91.3162.4-164.8-67.4179.2-8.600113E772E772-Q774 PolarHBondContact OE1-NE2 3.39Å
775V23.3Very low24.6Very low146 Ų146145.8 Ų145.889%0.88580%0.803SS**  trans-107.1131.1-175.6175.70000111.3
776A24.2Very low24.7Very low90 Ų90142.8 Ų142.874%0.74479%0.789SS**  trans-168.1145.7155.600000109.3
777S23.9Very low24.8Very low96 Ų96145.3 Ų145.367%0.67178%0.782SS**  cis-171.5146.3-15.647.30000110.2
778E26.1Very low24.7Very low180 Ų180141 Ų14184%0.84177%0.77SS**  trans65.8126.7152-66.6173.817000122.5
779E24.7Very low24.7Very low171 Ų171145.4 Ų145.480%0.79977%0.772SS**  trans38.3122.2143.4-52.8-168.9166.400122.9
780K25.9Very low24.8Very low202 Ų202144 Ų14488%0.87877%0.765SS**  -166.8164.994.1-112.9170.8-176.1161.90117.8
781D24.4Very low24.8Very low125 Ų125142.5 Ų142.567%0.66876%0.76SS**  trans-86.3161-169.6176.434.1000114.7
782K25.2Very low25Very low186 Ų186140.8 Ų140.881%0.80975%0.75SS**  trans72148170.7-41.5-163.3-179-164.40118.8
783G25.5Very low25.3Very low70 Ų70140.1 Ų140.172%0.72275%0.75SS**  cis167149.6-9.100000114.7
784E26.5Very low25.7Very low183 Ų183141.6 Ų141.686%0.85574%0.741SS**  trans50.6117.2153.2-69.1167.4170.800123.1
785E26.3Very low25.8Very low168 Ų168140.9 Ų140.979%0.78574%0.743SS**  74.8118.9128.6-63.4-163.1153.900125.4
786E25.3Very low25.9Very low134 Ų134137.4 Ų137.463%0.62674%0.736SS**  73.1130.7125.1-67.4-138.9119.700126.2
787K26.2Very low26.1Very low150 Ų150137.9 Ų137.965%0.65274%0.74SS**  trans84.1100130.1-81.3-179.1177.5123.90124.5
788T22.1Very low26.1Very low116 Ų116142.6 Ų142.671%0.71275%0.748SS**  69135.9117.356.30000125
789F24.1Very low26.1Very low184 Ų184142.1 Ų142.181%0.80775%0.751SS**  trans83.3102.3141.3-100.5-104.6000122.4
790D28.6Very low26.4Very low130 Ų130141.6 Ų141.670%0.69575%0.753SS**  41.9139.2119.7-171.142.3000122.9
791S24.8Very low27.2Very low93 Ų93138.1 Ų138.165%0.6575%0.751SS**  -177.4118.9129.456.50000116
792T26.5Very low27.2Very low113 Ų113135.4 Ų135.469%0.69375%0.753SS**  trans70.8131.8131.362.70000126.1
793D29.4Very low27.3Very low117 Ų117132.6 Ų132.663%0.62675%0.752SS**  86.1111.2125.6-78.79.3000127.2
794K31.6Very low27.5Very low156 Ų156137.7 Ų137.768%0.67876%0.757SS**  101.6138111.8-81.2-179.8179.2123.90126.4
795D26.6Very low27.6Very low149 Ų149135.7 Ų135.780%0.79775%0.752SS**  trans64.4139.2141.4-59.3-18.9000125
796G25.9Very low27.7Very low73 Ų73132.5 Ų132.575%0.75375%0.748SS**  163-19.9122.200000126.8
797A28.6Very low27.8Very low99 Ų99131.7 Ų131.782%0.81875%0.752SS**  trans52.6143.8169.300000123.3
798K24.9Very low28.2Very low196 Ų196134 Ų13485%0.85276%0.763SS**  trans175122.3130.9-100.5165.4-177.3172.30118.5
799L25.6Very low28.4Very low169 Ų169133.3 Ų133.389%0.88576%0.762SS**  trans37.2141.5134-61.7171.2000125.7
800N30.4Very low28.6Very low160 Ų160127.2 Ų127.286%0.85675%0.752SS**  trans-72.9178.1166.2-87.3-24.2000114
801P43.4Very low28.8Very low129 Ų129127.3 Ų127.384%0.83875%0.752SS**  cis-137.4-167.819.441.8-20.8000117.2
802G24.6Very low29.1Very low69 Ų69130.5 Ų130.571%0.71176%0.757SS**  trans-134.9-174-17600000116.9
803T26.8Very low29.1Very low127 Ų127130.4 Ų130.478%0.77976%0.76SS**  trans-166.5143.1-175.7-78.60000115.7
804Q28.7Very low29.1Very low177 Ų177128.2 Ų128.283%0.82776%0.759SS**  trans61.8110156.9-76.1161.46.500126.1
805D29.8Very low28.6Very low141 Ų141127.2 Ų127.275%0.75477%0.766SS**  53.4139.395.8-16629.7000124.1
806S27.2Very low29.1Very low100 Ų100125.3 Ų125.370%0.69976%0.762SS**  trans179.3110.1133.235.90000117.6
807T27.9Very low29Very low117 Ų117126.5 Ų126.572%0.71876%0.764SS**  trans53.3147.9139.4550000123.8
808K34.3Very low28.7Very low200 Ų200128.4 Ų128.487%0.8776%0.761SS**  cis-170.8-176.6-19.7-114.4177.5-177.5177.80106.6
809S26.3Very low28.6Very low101 Ų101125 Ų12571%0.70675%0.751SS**  cis-126.5-155.4953.10000110.2
810G29.4Very low28.4Very low56 Ų56126.3 Ų126.358%0.57774%0.744SS**  cis87144.89.800000113.4
811N31.3Very low28Very low132 Ų132125.6 Ų125.671%0.70674%0.736SS**  cis-156.4158.53.2-67.773.1000107.2
812E32Very low27.1Very low160 Ų160126 Ų12675%0.74873%0.731SS**  cis-153.2-135.7-15.4-100.1174.471.900106.5
813S26.7Very low27.3Very low110 Ų110129 Ų12977%0.76974%0.736SS**  cis-170.71511.753.90000109.6
814A28.3Very low27.3Very low72 Ų72131.4 Ų131.460%0.59574%0.738SS**  cis-166.6142.6-17.300000112.5
815T22Very low27Very low134 Ų134132.3 Ų132.382%0.82274%0.739SS**  trans64.6158.8148.554.80000122.2
816P36.5Very low26.7Very low110 Ų110133 Ų13371%0.71474%0.742SS**  cis-142.2175.8-36.939.6-23000115.8
817A23.4Very low26.5Very low98 Ų98134 Ų13481%0.8175%0.748SS**  trans68.6152.5150.200000120.3
818D22.8Very low26.5Very low139 Ų139133.3 Ų133.374%0.74375%0.746SS**  cis-167.3170.9-26.2-169.614.2000109
819L24Very low26.1Very low123 Ų123133.3 Ų133.364%0.64475%0.75SS**  trans74.6111.2161.8-57.2-179.9000121.6
820R21.5Very low25.9Very low198 Ų198131.8 Ų131.875%0.74775%0.75SS**  71.9131.2129.2-64.5-179.6-176.9-147.63122.1
821Q21.8Very low25.7Very low145 Ų145135.9 Ų135.968%0.67876%0.763SS**  trans69.8146.1137.4-73-177.5-100.200118
822D24Very low25.4Very low136 Ų136139.2 Ų139.273%0.72778%0.775SS**  cis-129.9-156.85.8-91.2-46.2000112.3
823V28.6Very low25.1Very low134 Ų134136.6 Ų136.681%0.81277%0.774SS**  trans-70.8175-168.1-177.40000114
824E27.9Very low25Very low177 Ų177139.3 Ų139.383%0.82778%0.779SS**  trans9193.9169.5-56.1-165.9146.600117.8
825K22.3Very low24.9Very low195 Ų195144 Ų14485%0.84879%0.792SS**  trans-167.3151144.4-120.2175.1-176.2171.50116.8
826L23.3Very low25Very low156 Ų156142.7 Ų142.782%0.81779%0.789SS**  trans74.4114.9153-66.6162.5000119.8
827S21.8Very low24.3Very low120 Ų120146.1 Ų146.184%0.83980%0.796SS**  trans-149.7135.7134.1-167.40000109.6
828P29Very low24.4Very low104 Ų104147.5 Ų147.568%0.67580%0.796SS**  trans-108.9141.417737.2-29.3000114.4
829E24.8Very low24.5Very low200 Ų200148 Ų14894%0.93579%0.794SS**  trans17.9113.4152.9-62.2172.1130.200119.6
830G23Very low24.6Very low69 Ų69150 Ų15071%0.71180%0.802SS**  trans-172.1130.9162.300000113.5
831T24.8Very low24.7Very low141 Ų141149.6 Ų149.687%0.86581%0.809SS**  trans44.1102161-33.50000117.9
832E25.4Very low24.9Very low203 Ų203147.2 Ų147.295%0.94981%0.808SS**  trans-75.6135.5167.1-66.7-167.5151.700111.7
833S25Very low24.9Very low105 Ų105148.8 Ų148.873%0.73482%0.816SS**  trans-111.8156.5-176.959.70000112.4L835S833-L835 PolarHBondContact O-N 3.48Å
834I25Very low25Very low167 Ų167149.3 Ų149.386%0.85680%0.804SS**PPolyproline II helixtrans-54.9134.9168.3-62.1162.4000109.3
835L25.2Very low25.1Very low169 Ų169146.2 Ų146.289%0.88580%0.799SS**PPolyproline II helixtrans-79.9123.9175.1-79.5167.5000110.6S833S833-L835 PolarHBondContact O-N 3.48Å
836S24.5Very low25.3Very low108 Ų108142.7 Ų142.776%0.75580%0.796SS**PPolyproline II helixtrans-85.6142.8169.750.80000111.2
837E22.3Very low25.5Very low182 Ų182144.9 Ų144.985%0.8580%0.8SS**PPolyproline II helixtrans-66.4146.4168.5-62.1-173.9147.500110.7
838P26.2Very low25.7Very low127 Ų127146.4 Ų146.483%0.82580%0.798SS**PPolyproline II helixtrans-83.5130.1172.932.6-31.7000110.8
839E23.5Very low25.7Very low149 Ų149146.7 Ų146.770%0.69680%0.803SS**PPolyproline II helixtrans-87.7141.7176.6-65.4-165.8130.300113.1Q580Q580-E839 PolarHBondContact NE2-OE1 2.88Å
840M26.6Very low25.8Very low164 Ų164145 Ų14581%0.80880%0.799SS**  trans6095.8154.7-155.7-173.6-54.800118.8
841E23.9Very low26.1Very low191 Ų191147.6 Ų147.689%0.89380%0.803SS**  trans-128.5146.3139.8-160.8166.2-135.200109L843E841-L843 PolarHBondContact O-N 2.83Å
842S25Very low26.5Very low95 Ų95145.8 Ų145.866%0.66480%0.803SS**  trans-71.7117.5-165.4168.40000113.4
843L25.7Very low26.6Very low169 Ų169143.7 Ų143.789%0.88580%0.798SS**  trans-109.953.3170.8-69.1179.3000113E841E841-L843 PolarHBondContact O-N 2.83Å
844Y29.6Very low26.8Very low145 Ų145146.6 Ų146.657%0.56980%0.8SS**  trans-106.9125.4149.3-74.7-83.3000108.4
845P29.3Very low27Very low111 Ų111144.9 Ų144.972%0.72179%0.792SS**  trans-69.1132.9169.729.2-32.3000109.4F847P845-F847 PolarHBondContact O-N 3.45Å
846P26.9Very low27.2Very low121 Ų121141.9 Ų141.979%0.78678%0.782SS**  trans-60.6131.9166.8-20.232.7000109.7D848P846-D848 PolarHBondContact O-N 2.9Å
847F28.2Very low27.5Very low203 Ų203144.9 Ų144.989%0.8978%0.781SS**  trans-76.2106.9172-124.3-86000108.7P845 S849P845-F847 PolarHBondContact O-N 3.45Å; F847-S849 PolarHBondContact O-N 3.36Å; F847-S849 VanDerWaalsContact O-N 3.15Å
848D25.9Very low27.9Very low152 Ų152142.5 Ų142.581%0.81377%0.774SS**  trans-65.9113.1177.5-108.5-28.3000110.1P846 L850P846-D848 PolarHBondContact O-N 2.9Å; D848-L850 PolarHBondContact O-N 3.49Å; D848-L850 VanDerWaalsContact O-N 3.16Å
849S29.3Very low28Very low110 Ų110146.1 Ų146.177%0.76978%0.78SS**  trans-70.8106.517356.70000109.6F847F847-S849 PolarHBondContact O-N 3.36Å; F847-S849 VanDerWaalsContact O-N 3.15Å
850L26.8Very low28.6Very low165 Ų165145.1 Ų145.186%0.86478%0.784SS**PPolyproline II helixtrans-56.4126.5177.7-71.2174.1000111D848D848-L850 PolarHBondContact O-N 3.49Å; D848-L850 VanDerWaalsContact O-N 3.16Å
851P30Very low28.8Very low122 Ų122144.1 Ų144.179%0.79279%0.787SS**PPolyproline II helixtrans-74.5141.8177.930.7-34.3000110.9
852A31.7Very low29.5Very low103 Ų103140 Ų14085%0.85178%0.779SS**PPolyproline II helixtrans-81.7127.5163.800000109.7
853D27.5Very low29.9Very low160 Ų160145.1 Ų145.186%0.85679%0.793SS**  trans-149.9161.9155.8-146.2-20.9000110.3
854E29.1Very low30.2Very low166 Ų166141 Ų14178%0.77679%0.791SS**  trans-93.3154.4-159.5-59.3-171.2138.400116.1
855N29.7Very low30.8Very low130 Ų130138.9 Ų138.970%0.69580%0.804SS**  115.9147.3120.9-125.9-42.4000120.3
856T29.2Very low31.7Very low107 Ų107140.7 Ų140.766%0.65681%0.813SS**  trans73.182.1161.942.50000122.2
857K30.9Very low32.9Very low171 Ų171138.5 Ų138.574%0.74381%0.812SS**  97.1116.4114.7-75-171.5174-172.30122.8
858D30.8Very low34.5Very low131 Ų131131.2 Ų131.270%0.70179%0.787SS**  59.998.5122.1-47.2-19.4000120
859E29.2Very low37.2Very low203 Ų203129.6 Ų129.695%0.94978%0.784SS**  -146.7152.6108.9-134.4171.2-157.600111.2
860V36.1Very low39.9Very low128 Ų128126.8 Ų126.878%0.77676%0.757SS**  trans-106.6132.2-167175.10000111.6
861T30.8Very low43Very low143 Ų143122.1 Ų122.188%0.87774%0.738SS**  trans-142.2127.5153.2-61.90000109.4
862S38.5Very low45.8Very low105 Ų105120.9 Ų120.973%0.73472%0.722SS**  trans-92.4125-17656.90000112.3
863Q33.8Very low48.6Very low203 Ų203123.9 Ų123.995%0.94972%0.718SS**  trans-145.5143.8152.5-104.4171.418.900108.7
864G31.7Very low51.7Low82 Ų82118.6 Ų118.685%0.84569%0.69SS**  trans-125.7120-173.300000112.1
865A41.3Very low54.7Low101 Ų101111 Ų11184%0.83566%0.655SS**  trans-156156157.300000107.1G867A865-G867 PolarHBondContact O-N 2.97Å; A865-G867 VanDerWaalsContact O-N 3.08Å
866T47.7Very low57.6Low149 Ų149108.1 Ų108.191%0.91464%0.639SS**  trans-69102.4177.2290000110.5S868T866-S868 PolarHBondContact O-N 3.4Å
867G53.5Low60.6Low75 Ų75106.5 Ų106.577%0.77363%0.626SS**  trans-72.5118.4176.900000111.7A865A865-G867 PolarHBondContact O-N 2.97Å; A865-G867 VanDerWaalsContact O-N 3.08Å
868S61.9Low63.6Low50 Ų5098.4 Ų98.435%0.3559%0.591SS.*  trans-58.5144.8167.7172.80000111T866 Y870T866-S868 PolarHBondContact O-N 3.4Å; S868-Y870 PolarHBondContact O-N 3.01Å; S868-Y870 PolarHBondContact OG-N 2.96Å
869P81Confident66.7Low118 Ų11893.3 Ų93.377%0.76657%0.565SS**SBendtrans-70.3-11.4173.430.5-35.8000113.5
870Y87.5Confident69.7Low51 Ų5188 Ų8820%0.254%0.542CS..SBendtrans-96.4145-179-58.5-77.7000112.1E605 A608 C609 V612 S868 L874 L875 W916E605-Y870 PolarHBondContact O-OH 3.35Å; A608-Y870 WeakPolarHBondContact CB-OH 3.41Å; C609-Y870 HydrophobicContact CB-CD1 4.44Å; C609-Y870 HydrophobicContact CB-CD2 4.44Å; C609-Y870 HydrophobicContact CB-CE1 3.95Å; C609-Y870 HydrophobicContact CB-CE2 3.97Å; C609-Y870 PolarHBondContact N-OH 3.32Å; V612-Y870 HydrophobicContact CG2-CD2 4.37Å; V612-Y870 HydrophobicContact CG2-CE2 4.38Å; S868-Y870 PolarHBondContact O-N 3.01Å; S868-Y870 PolarHBondContact OG-N 2.96Å; Y870-L874 HydrophobicContact CD1-CD2 3.9Å; Y870-L874 HydrophobicContact CG-CD2 4.42Å; Y870-L875 HydrophobicContact CD2-CD2 4.35Å; Y870-L875 HydrophobicContact CG-CD2 4.35Å; Y870-W916 HydrophobicContact CD1-CH2 4.35Å; Y870-W916 AromaticContact CE1-CH2 3.87Å; Y870-W916 HydrophobicContact CE1-CH2 3.87Å; Y870-W916 HydrophobicContact CE1-CZ2 4.23Å
871S91.1Very high72.5Confident66 Ų6682.1 Ų82.146%0.46251%0.506SS..  trans-68.7150.8172.271.20000111.3E873 L874 L875S871-E873 VanDerWaalsContact C-N 3.29Å; S871-E873 PolarHBondContact O-N 3.45Å; S871-L874 PolarHBondContact O-N 3.48Å; S871-L874 VanDerWaalsContact OG-CB 3.31Å; S871-L874 WeakPolarHBondContact OG-CB 3.36Å; S871-L874 PolarHBondContact OG-N 3.23Å; S871-L875 PolarHBondContact O-N 3.12Å
872Q88.6Confident75.6Confident96 Ų9675.4 Ų75.445%0.44947%0.465SS..Hα-helixtrans-60.1-40.4-179.5-174.452.488.900111.8R616 L874 L875 D876R616-Q872 VanDerWaalsContact CZ-NE2 3.32Å; Q872-L874 PolarHBondContact O-N 3.04Å; Q872-L875 PolarHBondContact O-N 3.34Å; Q872-D876 PolarHBondContact NE2-OD1 3.44Å; Q872-D876 VanDerWaalsContact NE2-OD1 3.14Å; Q872-D876 PolarHBondContact NE2-OD2 3.04Å; Q872-D876 PolarHBondContact O-N 3.18Å; Q872-D876 VanDerWaalsContact O-OD2 3.09Å
873E90.4Very high78.3Confident167 Ų16775 Ų7578%0.7845%0.452SS*.Hα-helixtrans-61.9-41.6177.1-62.1173.6169.400112.3S871 L877S871-E873 VanDerWaalsContact C-N 3.29Å; S871-E873 PolarHBondContact O-N 3.45Å; E873-L877 VanDerWaalsContact O-CB 3.22Å; E873-L877 WeakPolarHBondContact O-CB 3.33Å; E873-L877 PolarHBondContact O-N 3.34Å
874L92.2Very high81.2Confident49 Ų4970.8 Ų70.826%0.25743%0.427SS..Hα-helixtrans-67.5-43.6177.5-174.9156.2000111.1Y870 S871 Q872 L877 Y878 W916 L919Y870-L874 HydrophobicContact CD1-CD2 3.9Å; Y870-L874 HydrophobicContact CG-CD2 4.42Å; S871-L874 PolarHBondContact O-N 3.48Å; S871-L874 VanDerWaalsContact OG-CB 3.31Å; S871-L874 WeakPolarHBondContact OG-CB 3.36Å; S871-L874 PolarHBondContact OG-N 3.23Å; Q872-L874 PolarHBondContact O-N 3.04Å; L874-L877 PolarHBondContact O-N 3.03Å; L874-Y878 WeakPolarHBondContact O-CB 3.41Å; L874-Y878 PolarHBondContact O-N 3.38Å; L874-W916 HydrophobicContact CD2-CH2 3.84Å; L874-W916 HydrophobicContact CD2-CZ3 4Å; L874-L919 HydrophobicContact CG-CD1 4.5Å
875L92.4Very high84.4Confident7 Ų766.9 Ų66.94%0.03739%0.387CS..Hα-helixtrans-58.8-48.8176.4-74168.2000111.5V612 V613 Y870 S871 Q872 Y878 T879V612-L875 HydrophobicContact CB-CD2 4.32Å; V612-L875 HydrophobicContact CG1-CD1 4.27Å; V612-L875 HydrophobicContact CG1-CD2 3.77Å; V613-L875 HydrophobicContact CG2-CD2 3.95Å; Y870-L875 HydrophobicContact CD2-CD2 4.35Å; Y870-L875 HydrophobicContact CG-CD2 4.35Å; S871-L875 PolarHBondContact O-N 3.12Å; Q872-L875 PolarHBondContact O-N 3.34Å; L875-Y878 PolarHBondContact O-N 3.13Å; L875-T879 VanDerWaalsContact O-CB 3.29Å; L875-T879 WeakPolarHBondContact O-CB 3.18Å; L875-T879 PolarHBondContact O-N 2.93Å; L875-T879 PolarHBondContact O-OG1 3.28Å
876D91.3Very high86.9Confident69 Ų6964.5 Ų64.537%0.36936%0.358SS..Hα-helixtrans-68.5-37.9-178.7-64.6-38.9000111.8R616 Q872 L880R616-D876 IonicContact CZ-OD1 3.79Å; R616-D876 IonicContact NH1-OD1 3.27Å; R616-D876 PolarHBondContact NH1-OD1 3.4Å; R616-D876 IonicContact NH2-OD1 2.74Å; R616-D876 PolarHBondContact NH2-OD1 3.44Å; Q872-D876 PolarHBondContact NE2-OD1 3.44Å; Q872-D876 VanDerWaalsContact NE2-OD1 3.14Å; Q872-D876 PolarHBondContact NE2-OD2 3.04Å; Q872-D876 PolarHBondContact O-N 3.18Å; Q872-D876 VanDerWaalsContact O-OD2 3.09Å; D876-L880 WeakPolarHBondContact O-CB 3.49Å; D876-L880 PolarHBondContact O-N 3.27Å
877L92.4Very high89.2Confident73 Ų7364 Ų6438%0.38234%0.343SS..Hα-helixtrans-66.2-43.3175.4-179.559.2000112.5E873 L874 N881 L919E873-L877 VanDerWaalsContact O-CB 3.22Å; E873-L877 WeakPolarHBondContact O-CB 3.33Å; E873-L877 PolarHBondContact O-N 3.34Å; L874-L877 PolarHBondContact O-N 3.03Å; L877-N881 PolarHBondContact O-N 3.38Å; L877-N881 PolarHBondContact O-ND2 3.03Å; L877-L919 HydrophobicContact CD2-CB 4.04Å
878Y94.4Very high91.3Very high0 Ų061 Ų610%031%0.31CS..Hα-helixtrans-65.4-46.1175.2-179-114.9000111W606 C609 E610 V613 L874 L875 L880 N881 L882 W916 L919W606-Y878 HydrophobicContact CB-CE2 4.23Å; W606-Y878 VanDerWaalsContact CE3-OH 3.22Å; C609-Y878 HydrophobicContact CB-CD1 4.31Å; C609-Y878 HydrophobicContact CB-CE1 4.39Å; E610-Y878 HydrophobicContact CB-CE1 4.12Å; V613-Y878 HydrophobicContact CG2-CD1 4.33Å; L874-Y878 WeakPolarHBondContact O-CB 3.41Å; L874-Y878 PolarHBondContact O-N 3.38Å; L875-Y878 PolarHBondContact O-N 3.13Å; Y878-L880 VanDerWaalsContact C-N 3.31Å; Y878-L880 PolarHBondContact O-N 3.45Å; Y878-N881 PolarHBondContact O-N 3.45Å; Y878-L882 HydrophobicContact CE1-CD2 4.25Å; Y878-L882 WeakPolarHBondContact O-CB 3.32Å; Y878-L882 PolarHBondContact O-N 2.98Å; Y878-W916 HydrophobicContact CD1-CZ3 4.4Å; Y878-W916 AromaticContact CD2-CE3 3.72Å; Y878-W916 HydrophobicContact CD2-CE3 3.72Å; Y878-W916 AromaticContact CD2-CZ3 3.97Å; Y878-W916 HydrophobicContact CD2-CZ3 3.97Å; Y878-W916 AromaticContact CE2-CE3 3.93Å; Y878-W916 HydrophobicContact CE2-CE3 3.93Å; Y878-W916 HydrophobicContact CE2-CZ3 4.37Å; Y878-W916 HydrophobicContact CG-CE3 4.24Å; Y878-W916 HydrophobicContact CG-CZ3 4Å; Y878-L919 HydrophobicContact CD2-CD2 4.42Å
879T94Very high93Very high25 Ų2559.1 Ų59.115%0.15330%0.296CS..Hα-helixtrans-55.3-44.2177-55.90000112.1V613 L875 N881 L882 H883V613-T879 HydrophobicContact CG1-CG2 3.88Å; V613-T879 VanDerWaalsContact CG1-OG1 3.31Å; V613-T879 WeakPolarHBondContact CG1-OG1 3.45Å; V613-T879 VanDerWaalsContact CG2-OG1 3.31Å; V613-T879 WeakPolarHBondContact CG2-OG1 3.4Å; L875-T879 VanDerWaalsContact O-CB 3.29Å; L875-T879 WeakPolarHBondContact O-CB 3.18Å; L875-T879 PolarHBondContact O-N 2.93Å; L875-T879 PolarHBondContact O-OG1 3.28Å; T879-N881 VanDerWaalsContact C-N 3.3Å; T879-N881 PolarHBondContact O-N 3.49Å; T879-L882 PolarHBondContact O-N 2.72Å; T879-H883 PolarHBondContact O-N 3.45Å; T879-H883 PolarHBondContact O-ND1 3.47Å
880L92.8Very high93.6Very high92 Ų9259.6 Ų59.648%0.48229%0.288SS..Hα-helixtrans-63.8-34.2178.617861.2000112.8D876 Y878 R884D876-L880 WeakPolarHBondContact O-CB 3.49Å; D876-L880 PolarHBondContact O-N 3.27Å; Y878-L880 VanDerWaalsContact C-N 3.31Å; Y878-L880 PolarHBondContact O-N 3.45Å; L880-R884 WeakPolarHBondContact O-CD 3.49Å; L880-R884 WeakPolarHBondContact O-CG 3.44Å
881N96.1Very high94Very high4 Ų463 Ų632%0.02130%0.3CS..Hα-helixtrans-78.8-44.3177.7-76.1-63.5000111.8L877 Y878 T879 H883 R884 I885 I915 Y923L877-N881 PolarHBondContact O-N 3.38Å; L877-N881 PolarHBondContact O-ND2 3.03Å; Y878-N881 PolarHBondContact O-N 3.45Å; T879-N881 VanDerWaalsContact C-N 3.3Å; T879-N881 PolarHBondContact O-N 3.49Å; N881-H883 PolarHBondContact O-N 3.4Å; N881-R884 WeakPolarHBondContact O-CA 3.31Å; N881-R884 WeakPolarHBondContact O-CB 3.47Å; N881-R884 PolarHBondContact O-N 3.48Å; N881-I885 WeakPolarHBondContact O-CG1 3.23Å; N881-I885 PolarHBondContact O-N 2.86Å; N881-I915 HydrophobicContact CB-CG2 3.87Å; N881-Y923 PolarHBondContact OD1-N 3.02Å
882L95.3Very high94.2Very high1 Ų159.9 Ų59.91%0.00528%0.279CS..Hα-helixtrans-53.1-50.3179.5-174.664.3000112E610 Y878 T879 R884 I885 E886E610-L882 HydrophobicContact CG-CD2 3.83Å; Y878-L882 HydrophobicContact CE1-CD2 4.25Å; Y878-L882 WeakPolarHBondContact O-CB 3.32Å; Y878-L882 PolarHBondContact O-N 2.98Å; T879-L882 PolarHBondContact O-N 2.72Å; L882-R884 PolarHBondContact O-N 3.25Å; L882-R884 VanDerWaalsContact O-N 3.17Å; L882-I885 WeakPolarHBondContact O-CB 3.43Å; L882-I885 PolarHBondContact O-N 2.96Å; L882-I885 VanDerWaalsContact O-N 3.12Å; L882-E886 HydrophobicContact CD1-CG 4.46Å; L882-E886 WeakPolarHBondContact O-CG 3.47Å; L882-E886 PolarHBondContact O-N 3.47Å
883H94.1Very high94.4Very high98 Ų9856.4 Ų56.445%0.45426%0.263SS..Hα-helixtrans-57.6-30.8176.6-78.787.1000114E617 T879 N881 K887E617-H883 IonicContact OE1-CE1 2.65Å; E617-H883 PolarHBondContact OE1-CE1 3.41Å; E617-H883 VanDerWaalsContact OE1-CE1 3.23Å; E617-H883 IonicContact OE1-NE2 3.17Å; T879-H883 PolarHBondContact O-N 3.45Å; T879-H883 PolarHBondContact O-ND1 3.47Å; N881-H883 PolarHBondContact O-N 3.4Å; H883-K887 VanDerWaalsContact O-CB 3.32Å; H883-K887 WeakPolarHBondContact O-CB 3.31Å; H883-K887 PolarHBondContact O-N 2.67Å
884R96.3Very high94.5Very high114 Ų11457 Ų5743%0.4326%0.258SS..Hα-helixtrans-78.2-41.4177.1-61.8168.7-179-166.81.1111.2L880 N881 L882 D888 Y923L880-R884 WeakPolarHBondContact O-CD 3.49Å; L880-R884 WeakPolarHBondContact O-CG 3.44Å; N881-R884 WeakPolarHBondContact O-CA 3.31Å; N881-R884 WeakPolarHBondContact O-CB 3.47Å; N881-R884 PolarHBondContact O-N 3.48Å; L882-R884 PolarHBondContact O-N 3.25Å; L882-R884 VanDerWaalsContact O-N 3.17Å; R884-D888 PolarHBondContact O-N 3.17Å; R884-D888 VanDerWaalsContact O-N 3.13Å; R884-Y923 HydrophobicContact CB-CD1 3.5Å; R884-Y923 HydrophobicContact CB-CE1 4.06Å; R884-Y923 HydrophobicContact CB-CG 4.36Å; R884-Y923 PolarHBondContact NH1-O 3.21Å
885I97.4Very high94.5Very high0 Ų062.8 Ų62.80%029%0.289CS..Hα-helixtrans-59.1-53.7175.6-64.1165.8000109.4N881 L882 K887 D888 V889 M911 I915 Y923N881-I885 WeakPolarHBondContact O-CG1 3.23Å; N881-I885 PolarHBondContact O-N 2.86Å; L882-I885 WeakPolarHBondContact O-CB 3.43Å; L882-I885 PolarHBondContact O-N 2.96Å; L882-I885 VanDerWaalsContact O-N 3.12Å; I885-K887 VanDerWaalsContact C-N 3.34Å; I885-K887 PolarHBondContact O-N 3.38Å; I885-D888 PolarHBondContact O-N 2.93Å; I885-D888 VanDerWaalsContact O-N 3.07Å; I885-V889 HydrophobicContact CG2-CG2 4Å; I885-V889 WeakPolarHBondContact O-CB 3.32Å; I885-V889 VanDerWaalsContact O-CG2 3.32Å; I885-V889 WeakPolarHBondContact O-CG2 3.33Å; I885-V889 PolarHBondContact O-N 2.88Å; I885-M911 HydrophobicContact CB-CG 4.4Å; I885-M911 HydrophobicContact CD1-CG 4.08Å; I885-M911 HydrophobicContact CG1-CG 3.83Å; I885-M911 HydrophobicContact CG2-CB 3.91Å; I885-M911 HydrophobicContact CG2-CG 3.76Å; I885-I915 HydrophobicContact CD1-CB 4.22Å; I885-I915 HydrophobicContact CD1-CG1 4.01Å; I885-Y923 HydrophobicContact CD1-CD2 4.47Å; I885-Y923 HydrophobicContact CG1-CD1 4.47Å; I885-Y923 HydrophobicContact CG1-CD2 3.56Å; I885-Y923 HydrophobicContact CG1-CE2 4.13Å; I885-Y923 HydrophobicContact CG1-CG 3.76Å
886E95.6Very high94.6Very high51 Ų5165.1 Ų65.124%0.23830%0.298CS..Hα-helixtrans-60.4-42.8-177.5-67.7-169.6145.400112.7L882 D888 V889 Q890 R908L882-E886 HydrophobicContact CD1-CG 4.46Å; L882-E886 WeakPolarHBondContact O-CG 3.47Å; L882-E886 PolarHBondContact O-N 3.47Å; E886-D888 VanDerWaalsContact C-N 3.26Å; E886-D888 PolarHBondContact O-N 2.9Å; E886-V889 PolarHBondContact O-N 3.34Å; E886-Q890 WeakPolarHBondContact O-CB 3.49Å; E886-Q890 VanDerWaalsContact O-CG 3.23Å; E886-Q890 WeakPolarHBondContact O-CG 3.35Å; E886-Q890 PolarHBondContact O-N 2.92Å; E886-R908 IonicContact OE1-CZ 2.78Å; E886-R908 IonicContact OE1-NE 3.03Å; E886-R908 PolarHBondContact OE1-NE 3.43Å; E886-R908 IonicContact OE1-NH2 3.32Å; E886-R908 PolarHBondContact OE1-NH2 2.85Å
887K95.5Very high94.8Very high139 Ų13970.9 Ų70.960%0.60432%0.315SS*.Hα-helixtrans-60.5-34.6175.9-178.9179.7178.9-177.40112.8H883 I885 R891H883-K887 VanDerWaalsContact O-CB 3.32Å; H883-K887 WeakPolarHBondContact O-CB 3.31Å; H883-K887 PolarHBondContact O-N 2.67Å; I885-K887 VanDerWaalsContact C-N 3.34Å; I885-K887 PolarHBondContact O-N 3.38Å; K887-R891 WeakPolarHBondContact O-CG 3.3Å
888D96.9Very high95Very high12 Ų1267.7 Ų67.76%0.06430%0.298CS..Hα-helixtrans-83.8-40.4179.6-80.66.3000112.5R884 I885 E886 Q890 R891 C892 Y923 C928R884-D888 PolarHBondContact O-N 3.17Å; R884-D888 VanDerWaalsContact O-N 3.13Å; I885-D888 PolarHBondContact O-N 2.93Å; I885-D888 VanDerWaalsContact O-N 3.07Å; E886-D888 VanDerWaalsContact C-N 3.26Å; E886-D888 PolarHBondContact O-N 2.9Å; D888-Q890 PolarHBondContact O-N 3.02Å; D888-R891 CarbonylContact O-C 3.59Å; D888-R891 VanDerWaalsContact O-CG 3.32Å; D888-R891 WeakPolarHBondContact O-CG 3.36Å; D888-R891 PolarHBondContact O-N 3.15Å; D888-R891 VanDerWaalsContact O-N 3.14Å; D888-R891 IonicContact OD1-CZ 3.63Å; D888-R891 IonicContact OD1-NE 3.07Å; D888-R891 PolarHBondContact OD1-NE 2.85Å; D888-R891 IonicContact OD1-NH2 2.76Å; D888-R891 PolarHBondContact OD1-NH2 3.34Å; D888-R891 IonicContact OD2-NH2 2.8Å; D888-C892 WeakPolarHBondContact O-CB 3.41Å; D888-C892 PolarHBondContact O-N 2.62Å; D888-Y923 HydrophobicContact CB-CE1 4.37Å; D888-Y923 VanDerWaalsContact CB-OH 3.24Å; D888-Y923 WeakPolarHBondContact CB-OH 3.47Å; D888-Y923 VanDerWaalsContact OD2-CE1 3.31Å; D888-Y923 WeakPolarHBondContact OD2-CE1 3.45Å; D888-Y923 PolarHBondContact OD2-OH 3.49Å; D888-C928 HydrophobicContact CB-CB 4.44Å
889V97.3Very high95.2Very high10 Ų1068.3 Ų68.36%0.06130%0.3CS..Hα-helixtrans-56.7-48.5171.8169.80000110.4I885 E886 R891 C892 L904 L907 R908I885-V889 HydrophobicContact CG2-CG2 4Å; I885-V889 WeakPolarHBondContact O-CB 3.32Å; I885-V889 VanDerWaalsContact O-CG2 3.32Å; I885-V889 WeakPolarHBondContact O-CG2 3.33Å; I885-V889 PolarHBondContact O-N 2.88Å; E886-V889 PolarHBondContact O-N 3.34Å; V889-R891 PolarHBondContact O-N 3.38Å; V889-C892 PolarHBondContact O-N 2.9Å; V889-C892 VanDerWaalsContact O-N 3.09Å; V889-L904 HydrophobicContact CG1-CB 3.98Å; V889-L904 HydrophobicContact CG1-CD2 4.17Å; V889-L904 VanDerWaalsContact CG1-O 3.27Å; V889-L904 WeakPolarHBondContact CG1-O 3.19Å; V889-L904 WeakPolarHBondContact O-CD2 3.43Å; V889-L907 HydrophobicContact CG1-CD2 4.41Å; V889-L907 HydrophobicContact CG2-CD2 4.17Å; V889-L907 HydrophobicContact CG2-CG 4.31Å; V889-R908 HydrophobicContact CG1-CB 4.39Å; V889-R908 HydrophobicContact CG2-CB 4.24Å
890Q94.6Very high95.3Very high128 Ų12870.2 Ų70.260%0.59831%0.312SS*.THydrogen-bonded Turntrans-59.1-19.5179.3-75.4176.721.100114.6E886 D888 R894E886-Q890 WeakPolarHBondContact O-CB 3.49Å; E886-Q890 VanDerWaalsContact O-CG 3.23Å; E886-Q890 WeakPolarHBondContact O-CG 3.35Å; E886-Q890 PolarHBondContact O-N 2.92Å; D888-Q890 PolarHBondContact O-N 3.02Å; Q890-R894 WeakPolarHBondContact O-CD 3.27Å; Q890-R894 PolarHBondContact O-NE 3.28Å
891R94.7Very high95.4Very high122 Ų12271.1 Ų71.146%0.4632%0.324SS..THydrogen-bonded Turntrans-111.9-3.8177.767.9-173.9176.6142.9-7.3114.5K887 D888 V889 D893K887-R891 WeakPolarHBondContact O-CG 3.3Å; D888-R891 CarbonylContact O-C 3.59Å; D888-R891 VanDerWaalsContact O-CG 3.32Å; D888-R891 WeakPolarHBondContact O-CG 3.36Å; D888-R891 PolarHBondContact O-N 3.15Å; D888-R891 VanDerWaalsContact O-N 3.14Å; D888-R891 IonicContact OD1-CZ 3.63Å; D888-R891 IonicContact OD1-NE 3.07Å; D888-R891 PolarHBondContact OD1-NE 2.85Å; D888-R891 IonicContact OD1-NH2 2.76Å; D888-R891 PolarHBondContact OD1-NH2 3.34Å; D888-R891 IonicContact OD2-NH2 2.8Å; V889-R891 PolarHBondContact O-N 3.38Å; R891-D893 PolarHBondContact O-N 3.31Å
892C95.6Very high95.4Very high1 Ų173.7 Ų73.71%0.00735%0.345CS..SBendtrans-68.3116.9-178.4-167.90000110.5D888 V889 R894 L907D888-C892 WeakPolarHBondContact O-CB 3.41Å; D888-C892 PolarHBondContact O-N 2.62Å; V889-C892 PolarHBondContact O-N 2.9Å; V889-C892 VanDerWaalsContact O-N 3.09Å; C892-R894 PolarHBondContact O-N 3.42Å; C892-L907 HydrophobicContact CB-CD2 3.69Å
893D94Very high95.5Very high23 Ų2374.6 Ų74.612%0.12335%0.35CS..SBendtrans39.636.8166.1-64.135.5000115.9R891 N895 Y896 F899 K1008 R1009 Y1013R891-D893 PolarHBondContact O-N 3.31Å; D893-N895 PolarHBondContact O-N 3.15Å; D893-Y896 WeakPolarHBondContact O-CB 3.38Å; D893-Y896 PolarHBondContact O-N 2.8Å; D893-F899 HydrophobicContact CB-CD2 3.98Å; D893-F899 HydrophobicContact CB-CE2 4.07Å; D893-K1008 WeakPolarHBondContact OD2-CE 3.4Å; D893-K1008 IonicContact OD2-NZ 2.7Å; D893-K1008 PolarHBondContact OD2-NZ 3.02Å; D893-R1009 IonicContact OD1-CZ 3.39Å; D893-R1009 IonicContact OD1-NH1 3.34Å; D893-R1009 PolarHBondContact OD1-NH1 3.27Å; D893-R1009 IonicContact OD1-NH2 2.78Å; D893-R1009 PolarHBondContact OD1-NH2 2.79Å; D893-R1009 IonicContact OD2-NH1 2.79Å; D893-R1009 PolarHBondContact OD2-NH1 2.88Å; D893-Y1013 HydrophobicContact CB-CE2 4.38Å; D893-Y1013 WeakPolarHBondContact OD2-CE2 2.99Å; D893-Y1013 PolarHBondContact OD2-OH 2.97Å
894R92Very high95.7Very high179 Ų17971.3 Ų71.368%0.67534%0.336SS*.THydrogen-bonded Turntrans-55.7-20.9-170.6-53.9-177.576.8167.73.6115.7Q890 C892Q890-R894 WeakPolarHBondContact O-CD 3.27Å; Q890-R894 PolarHBondContact O-NE 3.28Å; C892-R894 PolarHBondContact O-N 3.42Å
895N91.1Very high95.7Very high171 Ų17171.6 Ų71.691%0.91434%0.342SS*.THydrogen-bonded Turntrans-85.9-13.6179.3-63.3-14.6000112.4D893D893-N895 PolarHBondContact O-N 3.15Å
896Y95.8Very high95.8Very high56 Ų5674.1 Ų74.122%0.2235%0.353CS..SBendtrans-86.5128.5179.1-172.8-102.5000110.4D893 Y898 F899 V936 Y1013D893-Y896 WeakPolarHBondContact O-CB 3.38Å; D893-Y896 PolarHBondContact O-N 2.8Å; Y896-Y898 PolarHBondContact O-N 2.9Å; Y896-F899 HydrophobicContact CD1-CD2 4.04Å; Y896-F899 AromaticContact CD1-CE2 3.95Å; Y896-F899 HydrophobicContact CD1-CE2 3.95Å; Y896-F899 PolarHBondContact O-N 2.86Å; Y896-F899 VanDerWaalsContact O-N 3.07Å; Y896-V936 HydrophobicContact CD1-CG2 4.28Å; Y896-V936 HydrophobicContact CE1-CG1 3.77Å; Y896-V936 HydrophobicContact CE1-CG2 3.83Å; Y896-Y1013 HydrophobicContact CD1-CD2 4.16Å; Y896-Y1013 AromaticContact CD1-CE2 3.94Å; Y896-Y1013 HydrophobicContact CD1-CE2 3.94Å; Y896-Y1013 AromaticContact CD2-CD2 3.53Å; Y896-Y1013 HydrophobicContact CD2-CD2 3.53Å; Y896-Y1013 AromaticContact CD2-CE2 3.95Å; Y896-Y1013 HydrophobicContact CD2-CE2 3.95Å; Y896-Y1013 HydrophobicContact CD2-CG 4.22Å; Y896-Y1013 HydrophobicContact CE1-CD1 4.46Å; Y896-Y1013 HydrophobicContact CE1-CD2 4.24Å; Y896-Y1013 HydrophobicContact CE1-CE2 4.35Å; Y896-Y1013 HydrophobicContact CE1-CG 4.3Å; Y896-Y1013 AromaticContact CE2-CD2 3.63Å; Y896-Y1013 HydrophobicContact CE2-CD2 3.63Å; Y896-Y1013 HydrophobicContact CE2-CE2 4.36Å; Y896-Y1013 AromaticContact CE2-CG 3.84Å; Y896-Y1013 HydrophobicContact CE2-CG 3.84Å; Y896-Y1013 AromaticContact CG-CD2 3.81Å; Y896-Y1013 HydrophobicContact CG-CD2 3.81Å; Y896-Y1013 AromaticContact CG-CE2 3.72Å; Y896-Y1013 HydrophobicContact CG-CE2 3.72Å; Y896-Y1013 AromaticContact CZ-CD2 3.99Å; Y896-Y1013 AromaticContact CZ-CG 3.87Å
897W95.6Very high95.9Very high189 Ų18971.7 Ų71.772%0.71634%0.342SS*.THydrogen-bonded Turntrans-53.6-26.5-165.466.8-90.9000115.4
898Y96.6Very high96Very high6 Ų666.8 Ų66.82%0.02432%0.319CS..THydrogen-bonded Turntrans-71.6-30.6-177.8-178.3-94.9000113.2Y896 T900 N903 L935 V936 D939Y896-Y898 PolarHBondContact O-N 2.9Å; Y898-T900 PolarHBondContact O-N 2.84Å; Y898-N903 HydrophobicContact CD1-CB 4.18Å; Y898-N903 HydrophobicContact CE1-CB 3.83Å; Y898-N903 WeakPolarHBondContact CE2-ND2 3.23Å; Y898-N903 VanDerWaalsContact O-CB 3.24Å; Y898-N903 WeakPolarHBondContact O-CB 3.07Å; Y898-N903 PolarHBondContact O-ND2 2.88Å; Y898-L935 HydrophobicContact CE1-CD2 4.25Å; Y898-L935 HydrophobicContact CE1-CG 3.95Å; Y898-L935 PolarHBondContact OH-O 3.32Å; Y898-V936 HydrophobicContact CD1-CB 4.38Å; Y898-V936 HydrophobicContact CD1-CG2 3.5Å; Y898-V936 HydrophobicContact CE1-CG2 4.11Å; Y898-V936 HydrophobicContact CG-CB 4.45Å; Y898-V936 HydrophobicContact CG-CG2 3.78Å; Y898-D939 HydrophobicContact CE2-CB 4.35Å; Y898-D939 PolarHBondContact OH-OD1 3.47Å; Y898-D939 VanDerWaalsContact OH-OD1 3.08Å
899F97.1Very high96.1Very high13 Ų1367.4 Ų67.46%0.05732%0.322CS..  trans-83.257.2-172.7-66.1-71000113.3D893 Y896 L904 L907 A932 V936 Y1013D893-F899 HydrophobicContact CB-CD2 3.98Å; D893-F899 HydrophobicContact CB-CE2 4.07Å; Y896-F899 HydrophobicContact CD1-CD2 4.04Å; Y896-F899 AromaticContact CD1-CE2 3.95Å; Y896-F899 HydrophobicContact CD1-CE2 3.95Å; Y896-F899 PolarHBondContact O-N 2.86Å; Y896-F899 VanDerWaalsContact O-N 3.07Å; F899-L904 HydrophobicContact CB-CD2 3.95Å; F899-L904 HydrophobicContact CB-CG 4.16Å; F899-L904 HydrophobicContact CD1-CD2 3.83Å; F899-L904 HydrophobicContact CD1-CG 4.49Å; F899-L904 HydrophobicContact CG-CD2 4.22Å; F899-L907 HydrophobicContact CE1-CD1 4.43Å; F899-L907 HydrophobicContact CE1-CD2 4.41Å; F899-A932 HydrophobicContact CE1-CB 4.35Å; F899-A932 HydrophobicContact CE2-CB 4.35Å; F899-A932 HydrophobicContact CZ-CB 3.66Å; F899-V936 HydrophobicContact CE2-CG2 3.72Å; F899-V936 HydrophobicContact CZ-CG2 3.6Å; F899-Y1013 WeakPolarHBondContact CE2-OH 3.4Å
900T96.4Very high96.2Very high66 Ų6666.9 Ų66.941%0.40532%0.32SS..  trans-61.1159.6161.267.50000110.6Y898 A902 N903 L904Y898-T900 PolarHBondContact O-N 2.84Å; T900-A902 VanDerWaalsContact C-N 3.26Å; T900-A902 PolarHBondContact O-N 3.15Å; T900-N903 PolarHBondContact O-N 3.45Å; T900-N903 PolarHBondContact OG1-N 3.04Å; T900-L904 PolarHBondContact O-N 2.97Å
901P95.8Very high96.3Very high111 Ų11160.8 Ų60.872%0.72129%0.291SS*.Hα-helixtrans-52.1-40.7178.8-29.336.5000114.2N903 L904 E905P901-N903 PolarHBondContact O-N 2.93Å; P901-L904 PolarHBondContact O-N 2.82Å; P901-E905 PolarHBondContact O-N 2.84Å
902A96.3Very high96.5Very high57 Ų5755 Ų5547%0.47127%0.269SS..Hα-helixtrans-68.3-31.8177.200000113.4T900 E905 K906T900-A902 VanDerWaalsContact C-N 3.26Å; T900-A902 PolarHBondContact O-N 3.15Å; A902-E905 WeakPolarHBondContact O-CB 3.26Å; A902-E905 PolarHBondContact O-N 3.39Å; A902-K906 PolarHBondContact O-N 3.42Å; A902-K906 VanDerWaalsContact O-N 3.1Å
903N97.1Very high96.6Very high21 Ų2155 Ų5511%0.11227%0.269CS..Hα-helixtrans-82.3-21.1175.1-73.7-10.7000112.6Y898 T900 P901 K906 L907Y898-N903 HydrophobicContact CD1-CB 4.18Å; Y898-N903 HydrophobicContact CE1-CB 3.83Å; Y898-N903 WeakPolarHBondContact CE2-ND2 3.23Å; Y898-N903 VanDerWaalsContact O-CB 3.24Å; Y898-N903 WeakPolarHBondContact O-CB 3.07Å; Y898-N903 PolarHBondContact O-ND2 2.88Å; T900-N903 PolarHBondContact O-N 3.45Å; T900-N903 PolarHBondContact OG1-N 3.04Å; P901-N903 PolarHBondContact O-N 2.93Å; N903-K906 WeakPolarHBondContact OD1-CD 3.09Å; N903-K906 WeakPolarHBondContact OD1-CE 3.27Å; N903-K906 PolarHBondContact OD1-NZ 3.23Å; N903-L907 PolarHBondContact O-N 3.49Å; N903-L907 VanDerWaalsContact O-N 3.11Å
904L97.6Very high96.8Very high28 Ų2854 Ų5415%0.14726%0.263CS..Hα-helixtrans-72.4-34165.1-70.6173.7000111.5V889 F899 T900 P901 L907 R908V889-L904 HydrophobicContact CG1-CB 3.98Å; V889-L904 HydrophobicContact CG1-CD2 4.17Å; V889-L904 VanDerWaalsContact CG1-O 3.27Å; V889-L904 WeakPolarHBondContact CG1-O 3.19Å; V889-L904 WeakPolarHBondContact O-CD2 3.43Å; F899-L904 HydrophobicContact CB-CD2 3.95Å; F899-L904 HydrophobicContact CB-CG 4.16Å; F899-L904 HydrophobicContact CD1-CD2 3.83Å; F899-L904 HydrophobicContact CD1-CG 4.49Å; F899-L904 HydrophobicContact CG-CD2 4.22Å; T900-L904 PolarHBondContact O-N 2.97Å; P901-L904 PolarHBondContact O-N 2.82Å; L904-L907 HydrophobicContact CD2-CD2 4.25Å; L904-L907 WeakPolarHBondContact O-CB 3Å; L904-L907 PolarHBondContact O-N 3.49Å; L904-R908 PolarHBondContact O-N 2.89Å
905E97.4Very high97.1Very high120 Ų12045.5 Ų45.556%0.56123%0.232SC*.Hα-helixtrans-62.5-46.6170.1-169.4170.5-161.100111.1P901 A902 L907 R908 N909P901-E905 PolarHBondContact O-N 2.84Å; A902-E905 WeakPolarHBondContact O-CB 3.26Å; A902-E905 PolarHBondContact O-N 3.39Å; E905-L907 VanDerWaalsContact C-N 3.28Å; E905-L907 PolarHBondContact O-N 3.08Å; E905-R908 WeakPolarHBondContact O-CB 3.4Å; E905-R908 PolarHBondContact O-N 3.05Å; E905-R908 VanDerWaalsContact O-N 3.1Å; E905-N909 PolarHBondContact O-N 2.81Å; E905-N909 PolarHBondContact O-ND2 3.25Å; E905-N909 PolarHBondContact O-OD1 3.29Å
906K98.2Very high97.3Very high54 Ų5439 Ų3924%0.23519%0.194CC..Hα-helixtrans-54.5-42169.5-67.5176-174.5160.80113.2A902 N903 N909 V910 L935 D939 E941A902-K906 PolarHBondContact O-N 3.42Å; A902-K906 VanDerWaalsContact O-N 3.1Å; N903-K906 WeakPolarHBondContact OD1-CD 3.09Å; N903-K906 WeakPolarHBondContact OD1-CE 3.27Å; N903-K906 PolarHBondContact OD1-NZ 3.23Å; K906-N909 PolarHBondContact O-N 3.46Å; K906-V910 WeakPolarHBondContact O-CG2 3.28Å; K906-V910 PolarHBondContact O-N 2.87Å; K906-L935 HydrophobicContact CB-CD1 4.21Å; K906-L935 HydrophobicContact CB-CD2 3.97Å; K906-D939 IonicContact NZ-OD1 2.64Å; K906-D939 PolarHBondContact NZ-OD1 3.12Å; K906-E941 WeakPolarHBondContact CA-OE1 3.33Å; K906-E941 HydrophobicContact CB-CG 4.06Å; K906-E941 HydrophobicContact CD-CG 4.43Å; K906-E941 HydrophobicContact CG-CG 3.89Å
907L98.3Very high97.3Very high0 Ų040.3 Ų40.30%020%0.199CC..Hα-helixtrans-63-41.2177.7-168.175.3000111.5V889 C892 F899 N903 L904 E905 M911 L931 A932 L935V889-L907 HydrophobicContact CG1-CD2 4.41Å; V889-L907 HydrophobicContact CG2-CD2 4.17Å; V889-L907 HydrophobicContact CG2-CG 4.31Å; C892-L907 HydrophobicContact CB-CD2 3.69Å; F899-L907 HydrophobicContact CE1-CD1 4.43Å; F899-L907 HydrophobicContact CE1-CD2 4.41Å; N903-L907 PolarHBondContact O-N 3.49Å; N903-L907 VanDerWaalsContact O-N 3.11Å; L904-L907 HydrophobicContact CD2-CD2 4.25Å; L904-L907 WeakPolarHBondContact O-CB 3Å; L904-L907 PolarHBondContact O-N 3.49Å; E905-L907 VanDerWaalsContact C-N 3.28Å; E905-L907 PolarHBondContact O-N 3.08Å; L907-M911 VanDerWaalsContact O-CB 3.31Å; L907-M911 WeakPolarHBondContact O-CB 3.47Å; L907-M911 PolarHBondContact O-N 3.26Å; L907-L931 HydrophobicContact CD1-CB 4.14Å; L907-L931 HydrophobicContact CD1-CD2 3.66Å; L907-L931 HydrophobicContact CD1-CG 3.7Å; L907-L931 HydrophobicContact CG-CD2 4.33Å; L907-A932 HydrophobicContact CD1-CB 4.44Å; L907-L935 HydrophobicContact CB-CD2 3.91Å; L907-L935 HydrophobicContact CD1-CD2 3.91Å
908R98.3Very high97.3Very high36 Ų3633.8 Ų33.814%0.13618%0.176CC..Hα-helixtrans-61.8-52.6172.6-176.9-169.3-170.6-92.410.4110.9E610 E886 V889 L904 E905 V910 M911 C912E610-R908 IonicContact OE1-CZ 2.69Å; E610-R908 IonicContact OE1-NH1 2.69Å; E610-R908 IonicContact OE1-NH2 3.61Å; E610-R908 PolarHBondContact OE1-NH2 3.16Å; E610-R908 IonicContact OE2-CZ 3.17Å; E610-R908 IonicContact OE2-NH1 2.72Å; E610-R908 PolarHBondContact OE2-NH1 2.87Å; E610-R908 IonicContact OE2-NH2 3.33Å; E610-R908 PolarHBondContact OE2-NH2 3.08Å; E886-R908 IonicContact OE1-CZ 2.78Å; E886-R908 IonicContact OE1-NE 3.03Å; E886-R908 PolarHBondContact OE1-NE 3.43Å; E886-R908 IonicContact OE1-NH2 3.32Å; E886-R908 PolarHBondContact OE1-NH2 2.85Å; V889-R908 HydrophobicContact CG1-CB 4.39Å; V889-R908 HydrophobicContact CG2-CB 4.24Å; L904-R908 PolarHBondContact O-N 2.89Å; E905-R908 WeakPolarHBondContact O-CB 3.4Å; E905-R908 PolarHBondContact O-N 3.05Å; E905-R908 VanDerWaalsContact O-N 3.1Å; R908-V910 PolarHBondContact O-N 3.04Å; R908-M911 PolarHBondContact O-N 2.83Å; R908-M911 VanDerWaalsContact O-N 3.17Å; R908-C912 WeakPolarHBondContact O-CB 3.41Å; R908-C912 PolarHBondContact O-N 2.77Å; R908-C912 PolarHBondContact O-SG 3.24Å; R908-C912 VanDerWaalsContact O-SG 3.4Å
909N98.4Very high97Very high24 Ų2435 Ų3513%0.12818%0.183CC..Hα-helixtrans-58.7-48-174.7-62.8-17.3000111.9Y599 M603 W606 E905 K906 M911 C912 S913 E941Y599-N909 WeakPolarHBondContact OH-CB 3.27Å; M603-N909 HydrophobicContact SD-CB 4.44Å; W606-N909 HydrophobicContact CH2-CB 4.44Å; W606-N909 HydrophobicContact CZ2-CB 4.19Å; E905-N909 PolarHBondContact O-N 2.81Å; E905-N909 PolarHBondContact O-ND2 3.25Å; E905-N909 PolarHBondContact O-OD1 3.29Å; K906-N909 PolarHBondContact O-N 3.46Å; N909-M911 VanDerWaalsContact C-N 3.35Å; N909-M911 PolarHBondContact O-N 3.07Å; N909-C912 PolarHBondContact O-N 2.74Å; N909-S913 WeakPolarHBondContact O-CB 3.29Å; N909-S913 PolarHBondContact O-N 3.14Å; N909-S913 PolarHBondContact O-OG 2.88Å; N909-E941 VanDerWaalsContact CB-OE1 3.32Å; N909-E941 WeakPolarHBondContact CB-OE1 3.48Å; N909-E941 PolarHBondContact ND2-OE1 3.25Å
910V98.6Very high96.6Very high0 Ų041 Ų410%022%0.216CC..Hα-helixtrans-65.9-37.6178.7173.20000111.7Y599 K906 R908 Y914 L931 E941 F945Y599-V910 HydrophobicContact CE2-CG2 4.21Å; Y599-V910 PolarHBondContact OH-N 3.01Å; K906-V910 WeakPolarHBondContact O-CG2 3.28Å; K906-V910 PolarHBondContact O-N 2.87Å; R908-V910 PolarHBondContact O-N 3.04Å; V910-Y914 PolarHBondContact O-N 2.99Å; V910-L931 HydrophobicContact CB-CD1 4.47Å; V910-L931 HydrophobicContact CB-CD2 3.91Å; V910-L931 HydrophobicContact CG1-CD1 3.59Å; V910-L931 HydrophobicContact CG1-CD2 3.7Å; V910-L931 HydrophobicContact CG1-CG 4.31Å; V910-E941 HydrophobicContact CG2-CB 3.81Å; V910-E941 HydrophobicContact CG2-CG 4.12Å; V910-E941 WeakPolarHBondContact CG2-O 3.48Å; V910-F945 HydrophobicContact CG1-CB 3.82Å; V910-F945 HydrophobicContact CG1-CD2 4.44Å; V910-F945 HydrophobicContact CG2-CB 4.46Å
911M98.4Very high96.3Very high0 Ų040.3 Ų40.30%021%0.209CC..Hα-helixtrans-68.5-45.3175.9-169.758.558.600112.1I885 L907 R908 N909 S913 Y914 I915 Y923 M927 L931 F948I885-M911 HydrophobicContact CB-CG 4.4Å; I885-M911 HydrophobicContact CD1-CG 4.08Å; I885-M911 HydrophobicContact CG1-CG 3.83Å; I885-M911 HydrophobicContact CG2-CB 3.91Å; I885-M911 HydrophobicContact CG2-CG 3.76Å; L907-M911 VanDerWaalsContact O-CB 3.31Å; L907-M911 WeakPolarHBondContact O-CB 3.47Å; L907-M911 PolarHBondContact O-N 3.26Å; R908-M911 PolarHBondContact O-N 2.83Å; R908-M911 VanDerWaalsContact O-N 3.17Å; N909-M911 VanDerWaalsContact C-N 3.35Å; N909-M911 PolarHBondContact O-N 3.07Å; M911-S913 PolarHBondContact O-N 3.04Å; M911-Y914 PolarHBondContact O-N 2.97Å; M911-I915 HydrophobicContact CG-CG1 4.4Å; M911-I915 WeakPolarHBondContact O-CG1 3.47Å; M911-I915 PolarHBondContact O-N 3.43Å; M911-I915 HydrophobicContact SD-CG1 4.2Å; M911-Y923 HydrophobicContact CE-CE2 4.38Å; M911-Y923 HydrophobicContact CG-CD2 3.9Å; M911-Y923 HydrophobicContact CG-CE2 3.85Å; M911-Y923 HydrophobicContact SD-CD2 3.78Å; M911-Y923 HydrophobicContact SD-CE2 3.74Å; M911-M927 VanDerWaalsContact CE-C 3.47Å; M911-M927 HydrophobicContact CE-CB 3.87Å; M911-M927 WeakPolarHBondContact CE-O 3.47Å; M911-M927 HydrophobicContact SD-CB 3.99Å; M911-M927 HydrophobicContact SD-CE 4.08Å; M911-L931 HydrophobicContact CB-CD2 4.36Å; M911-L931 HydrophobicContact CE-CB 3.96Å; M911-L931 HydrophobicContact CE-CD2 3.79Å; M911-F948 HydrophobicContact CE-CE1 3.99Å; M911-F948 HydrophobicContact CE-CE2 4.47Å; M911-F948 HydrophobicContact CE-CZ 3.73Å; M911-F948 HydrophobicContact SD-CE1 4.23Å; M911-F948 HydrophobicContact SD-CZ 4.33Å
912C98.1Very high96.2Very high0 Ų035.3 Ų35.30%018%0.178CC..Hα-helixtrans-59.4-45.1175-71.10000111.2W606 R908 N909 Y914 I915 W916W606-C912 HydrophobicContact CD2-CB 3.78Å; W606-C912 HydrophobicContact CE3-CB 4.04Å; W606-C912 HydrophobicContact CG-CB 4.42Å; W606-C912 HydrophobicContact CH2-CB 3.94Å; W606-C912 HydrophobicContact CZ2-CB 3.63Å; W606-C912 HydrophobicContact CZ3-CB 4.11Å; R908-C912 WeakPolarHBondContact O-CB 3.41Å; R908-C912 PolarHBondContact O-N 2.77Å; R908-C912 PolarHBondContact O-SG 3.24Å; R908-C912 VanDerWaalsContact O-SG 3.4Å; N909-C912 PolarHBondContact O-N 2.74Å; C912-Y914 VanDerWaalsContact C-N 3.33Å; C912-Y914 PolarHBondContact O-N 2.71Å; C912-I915 PolarHBondContact O-N 3.03Å; C912-W916 WeakPolarHBondContact O-CB 3.07Å; C912-W916 PolarHBondContact O-N 3.08Å
913S98.3Very high96.1Very high0 Ų032.8 Ų32.80%016%0.156CC..Hα-helixtrans-59.6-39.9174.3-72.10000112.8Y599 W606 N909 M911Y599-S913 VanDerWaalsContact CE2-OG 3.27Å; Y599-S913 WeakPolarHBondContact CE2-OG 3.42Å; W606-S913 VanDerWaalsContact NE1-CA 3.34Å; W606-S913 VanDerWaalsContact NE1-N 3.19Å; W606-S913 PolarHBondContact NE1-OG 3.49Å; N909-S913 WeakPolarHBondContact O-CB 3.29Å; N909-S913 PolarHBondContact O-N 3.14Å; N909-S913 PolarHBondContact O-OG 2.88Å; M911-S913 PolarHBondContact O-N 3.04Å
914Y97.9Very high96Very high3 Ų333.2 Ų33.21%0.01216%0.159CC..Hα-helixtrans-68.1-46.2177.6-178.8-94.6000111.5V910 M911 C912 R917 H918 M927 F948 M952 N956V910-Y914 PolarHBondContact O-N 2.99Å; M911-Y914 PolarHBondContact O-N 2.97Å; C912-Y914 VanDerWaalsContact C-N 3.33Å; C912-Y914 PolarHBondContact O-N 2.71Å; Y914-R917 PolarHBondContact O-N 3.35Å; Y914-H918 AromaticContact CD2-CE1 3.71Å; Y914-H918 AromaticContact CD2-ND1 3.69Å; Y914-H918 HydrophobicContact CE1-CB 4.35Å; Y914-H918 AromaticContact CE1-ND1 3.84Å; Y914-H918 AromaticContact CE2-CE1 3.21Å; Y914-H918 WeakPolarHBondContact CE2-CE1 3.43Å; Y914-H918 AromaticContact CE2-ND1 3.38Å; Y914-H918 WeakPolarHBondContact CE2-ND1 3.15Å; Y914-H918 AromaticContact CE2-NE2 3.93Å; Y914-H918 AromaticContact CZ-CE1 3.62Å; Y914-H918 AromaticContact CZ-CG 3.86Å; Y914-H918 AromaticContact CZ-ND1 3.45Å; Y914-H918 PolarHBondContact O-N 2.92Å; Y914-H918 PolarHBondContact O-ND1 3.11Å; Y914-M927 HydrophobicContact CD1-CE 3.59Å; Y914-M927 HydrophobicContact CE1-CE 3.5Å; Y914-M927 VanDerWaalsContact CE1-CE 3.5Å; Y914-F948 HydrophobicContact CD1-CD1 4.4Å; Y914-F948 AromaticContact CD1-CE1 3.72Å; Y914-F948 HydrophobicContact CD1-CE1 3.72Å; Y914-F948 AromaticContact CD2-CD1 3.89Å; Y914-F948 HydrophobicContact CD2-CD1 3.89Å; Y914-F948 HydrophobicContact CD2-CE1 4.02Å; Y914-F948 HydrophobicContact CE1-CE1 4.28Å; Y914-F948 AromaticContact CG-CD1 3.83Å; Y914-F948 HydrophobicContact CG-CD1 3.83Å; Y914-F948 AromaticContact CG-CE1 3.59Å; Y914-F948 HydrophobicContact CG-CE1 3.59Å; Y914-M952 HydrophobicContact CE1-CG 4.3Å; Y914-M952 HydrophobicContact CE2-CB 4.11Å; Y914-M952 HydrophobicContact CE2-CG 4.21Å; Y914-M952 WeakPolarHBondContact OH-CB 3.44Å; Y914-N956 PolarHBondContact OH-ND2 2.86Å
915I97.3Very high95.8Very high1 Ų137.9 Ų37.91%0.00518%0.18CC..Hα-helixtrans-69.9-33.4-178-62.4-62.1000111.9N881 I885 M911 C912 R917 H918 L919 G922 Y923 M927N881-I915 HydrophobicContact CB-CG2 3.87Å; I885-I915 HydrophobicContact CD1-CB 4.22Å; I885-I915 HydrophobicContact CD1-CG1 4.01Å; M911-I915 HydrophobicContact CG-CG1 4.4Å; M911-I915 WeakPolarHBondContact O-CG1 3.47Å; M911-I915 PolarHBondContact O-N 3.43Å; M911-I915 HydrophobicContact SD-CG1 4.2Å; C912-I915 PolarHBondContact O-N 3.03Å; I915-R917 VanDerWaalsContact C-N 3.27Å; I915-R917 PolarHBondContact O-N 2.81Å; I915-H918 CarbonylContact O-C 3.52Å; I915-H918 PolarHBondContact O-N 3.39Å; I915-L919 HydrophobicContact CG2-CD2 4.2Å; I915-L919 WeakPolarHBondContact O-CD2 3.48Å; I915-L919 WeakPolarHBondContact O-CG 3.4Å; I915-L919 PolarHBondContact O-N 2.81Å; I915-G922 WeakPolarHBondContact CD1-O 3.12Å; I915-Y923 HydrophobicContact CD1-CD2 4.29Å; I915-Y923 HydrophobicContact CG1-CD2 4.27Å; I915-M927 HydrophobicContact CD1-CE 3.6Å; I915-M927 HydrophobicContact CD1-SD 4.26Å
916W96.9Very high95.7Very high34 Ų3432.3 Ų32.313%0.12916%0.155CC..Hα-helixtrans-58.4-37.8172.8-173.7-103.9000112.8T602 E605 W606 C609 Y870 L874 Y878 C912 H918 L919T602-W916 HydrophobicContact CG2-CB 4.45Å; E605-W916 HydrophobicContact CB-CZ2 4.03Å; E605-W916 PolarHBondContact OE2-NE1 3.31Å; W606-W916 HydrophobicContact CB-CB 4.17Å; W606-W916 HydrophobicContact CB-CD2 3.56Å; W606-W916 HydrophobicContact CB-CE3 3.56Å; W606-W916 HydrophobicContact CB-CG 3.85Å; W606-W916 HydrophobicContact CB-CZ3 4.12Å; W606-W916 HydrophobicContact CG-CB 4.46Å; C609-W916 HydrophobicContact CB-CH2 3.46Å; C609-W916 VanDerWaalsContact CB-CH2 3.46Å; C609-W916 HydrophobicContact CB-CZ3 3.61Å; Y870-W916 HydrophobicContact CD1-CH2 4.35Å; Y870-W916 AromaticContact CE1-CH2 3.87Å; Y870-W916 HydrophobicContact CE1-CH2 3.87Å; Y870-W916 HydrophobicContact CE1-CZ2 4.23Å; L874-W916 HydrophobicContact CD2-CH2 3.84Å; L874-W916 HydrophobicContact CD2-CZ3 4Å; Y878-W916 HydrophobicContact CD1-CZ3 4.4Å; Y878-W916 AromaticContact CD2-CE3 3.72Å; Y878-W916 HydrophobicContact CD2-CE3 3.72Å; Y878-W916 AromaticContact CD2-CZ3 3.97Å; Y878-W916 HydrophobicContact CD2-CZ3 3.97Å; Y878-W916 AromaticContact CE2-CE3 3.93Å; Y878-W916 HydrophobicContact CE2-CE3 3.93Å; Y878-W916 HydrophobicContact CE2-CZ3 4.37Å; Y878-W916 HydrophobicContact CG-CE3 4.24Å; Y878-W916 HydrophobicContact CG-CZ3 4Å; C912-W916 WeakPolarHBondContact O-CB 3.07Å; C912-W916 PolarHBondContact O-N 3.08Å; W916-H918 VanDerWaalsContact C-N 3.34Å; W916-L919 HydrophobicContact CE3-CD1 4.44Å
917R95.6Very high95.6Very high83 Ų8329.8 Ų29.831%0.31314%0.144SC..THydrogen-bonded Turntrans-81-9175.6-63.5-163.9-170.9-174.8-0114.6S598 T602 Y914 I915S598-R917 PolarHBondContact O-NH2 2.96Å; S598-R917 PolarHBondContact OG-NH2 3.33Å; T602-R917 HydrophobicContact CG2-CG 4.18Å; T602-R917 VanDerWaalsContact OG1-CZ 3.28Å; T602-R917 PolarHBondContact OG1-NE 2.94Å; T602-R917 PolarHBondContact OG1-NH2 3.04Å; Y914-R917 PolarHBondContact O-N 3.35Å; I915-R917 VanDerWaalsContact C-N 3.27Å; I915-R917 PolarHBondContact O-N 2.81Å
918H94.1Very high95.6Very high52 Ų5229.8 Ų29.824%0.24114%0.144CC..THydrogen-bonded Turntrans-139.344.7-174.6-53.190.3000111.2Y914 I915 W916 D920 I921 G922Y914-H918 AromaticContact CD2-CE1 3.71Å; Y914-H918 AromaticContact CD2-ND1 3.69Å; Y914-H918 HydrophobicContact CE1-CB 4.35Å; Y914-H918 AromaticContact CE1-ND1 3.84Å; Y914-H918 AromaticContact CE2-CE1 3.21Å; Y914-H918 WeakPolarHBondContact CE2-CE1 3.43Å; Y914-H918 AromaticContact CE2-ND1 3.38Å; Y914-H918 WeakPolarHBondContact CE2-ND1 3.15Å; Y914-H918 AromaticContact CE2-NE2 3.93Å; Y914-H918 AromaticContact CZ-CE1 3.62Å; Y914-H918 AromaticContact CZ-CG 3.86Å; Y914-H918 AromaticContact CZ-ND1 3.45Å; Y914-H918 PolarHBondContact O-N 2.92Å; Y914-H918 PolarHBondContact O-ND1 3.11Å; I915-H918 CarbonylContact O-C 3.52Å; I915-H918 PolarHBondContact O-N 3.39Å; W916-H918 VanDerWaalsContact C-N 3.34Å; H918-D920 VanDerWaalsContact CA-OD1 3.31Å; H918-D920 WeakPolarHBondContact CA-OD1 3.12Å; H918-D920 PolarHBondContact O-N 3.46Å; H918-I921 HydrophobicContact CB-CB 4.33Å; H918-I921 HydrophobicContact CB-CD1 4.24Å; H918-I921 HydrophobicContact CB-CG1 4.37Å; H918-I921 PolarHBondContact O-N 3.34Å; H918-G922 PolarHBondContact O-N 2.95Å
919L92Very high95.5Very high31 Ų3129.1 Ų29.116%0.16214%0.144CC..THydrogen-bonded Turntrans-62.8-21.6-178.8-72.2172.4000112.9L874 L877 Y878 I915 W916L874-L919 HydrophobicContact CG-CD1 4.5Å; L877-L919 HydrophobicContact CD2-CB 4.04Å; Y878-L919 HydrophobicContact CD2-CD2 4.42Å; I915-L919 HydrophobicContact CG2-CD2 4.2Å; I915-L919 WeakPolarHBondContact O-CD2 3.48Å; I915-L919 WeakPolarHBondContact O-CG 3.4Å; I915-L919 PolarHBondContact O-N 2.81Å; W916-L919 HydrophobicContact CE3-CD1 4.44Å
920D88.7Confident95.5Very high141 Ų14128 Ų2875%0.75414%0.137SC*.THydrogen-bonded Turntrans-69.2-36.3172.664.6-46.4000113.1H918H918-D920 VanDerWaalsContact CA-OD1 3.31Å; H918-D920 WeakPolarHBondContact CA-OD1 3.12Å; H918-D920 PolarHBondContact O-N 3.46Å
921I89.9Confident95.5Very high50 Ų5028 Ų2826%0.25614%0.137SC..THydrogen-bonded Turntrans-80.9-42173.9-55.6-178.5000110.1H918H918-I921 HydrophobicContact CB-CB 4.33Å; H918-I921 HydrophobicContact CB-CD1 4.24Å; H918-I921 HydrophobicContact CB-CG1 4.37Å; H918-I921 PolarHBondContact O-N 3.34Å
922G92.6Very high95.5Very high7 Ų728 Ų287%0.07214%0.137CC..  trans68.9176.8-177.900000114.2I915 H918I915-G922 WeakPolarHBondContact CD1-O 3.12Å; H918-G922 PolarHBondContact O-N 2.95Å
923Y95.8Very high95.5Very high3 Ų328 Ų281%0.01214%0.137CC..  trans-83127.8179.1-179-90.6000111.6N881 R884 I885 D888 M911 I915 M927 C928N881-Y923 PolarHBondContact OD1-N 3.02Å; R884-Y923 HydrophobicContact CB-CD1 3.5Å; R884-Y923 HydrophobicContact CB-CE1 4.06Å; R884-Y923 HydrophobicContact CB-CG 4.36Å; R884-Y923 PolarHBondContact NH1-O 3.21Å; I885-Y923 HydrophobicContact CD1-CD2 4.47Å; I885-Y923 HydrophobicContact CG1-CD1 4.47Å; I885-Y923 HydrophobicContact CG1-CD2 3.56Å; I885-Y923 HydrophobicContact CG1-CE2 4.13Å; I885-Y923 HydrophobicContact CG1-CG 3.76Å; D888-Y923 HydrophobicContact CB-CE1 4.37Å; D888-Y923 VanDerWaalsContact CB-OH 3.24Å; D888-Y923 WeakPolarHBondContact CB-OH 3.47Å; D888-Y923 VanDerWaalsContact OD2-CE1 3.31Å; D888-Y923 WeakPolarHBondContact OD2-CE1 3.45Å; D888-Y923 PolarHBondContact OD2-OH 3.49Å; M911-Y923 HydrophobicContact CE-CE2 4.38Å; M911-Y923 HydrophobicContact CG-CD2 3.9Å; M911-Y923 HydrophobicContact CG-CE2 3.85Å; M911-Y923 HydrophobicContact SD-CD2 3.78Å; M911-Y923 HydrophobicContact SD-CE2 3.74Å; I915-Y923 HydrophobicContact CD1-CD2 4.29Å; I915-Y923 HydrophobicContact CG1-CD2 4.27Å; Y923-M927 HydrophobicContact CD2-CB 4.29Å; Y923-M927 HydrophobicContact CD2-SD 4.29Å; Y923-M927 HydrophobicContact CE2-CB 3.76Å; Y923-C928 PolarHBondContact OH-SG 3.43Å
924V94.5Very high95.5Very high30 Ų3028 Ų2818%0.18214%0.137CC..  trans-117.6136.3173.8-166.60000110.1G926 M927 F959V924-G926 PolarHBondContact O-N 2.93Å; V924-M927 HydrophobicContact CB-SD 4.23Å; V924-M927 PolarHBondContact N-SD 3.17Å; V924-M927 VanDerWaalsContact N-SD 3.42Å; V924-M927 WeakPolarHBondContact O-CB 3.49Å; V924-M927 VanDerWaalsContact O-CG 3.27Å; V924-M927 WeakPolarHBondContact O-CG 3.37Å; V924-M927 PolarHBondContact O-N 3.32Å; V924-F959 HydrophobicContact CB-CD1 3.71Å; V924-F959 HydrophobicContact CB-CE1 4.07Å; V924-F959 HydrophobicContact CB-CG 4.44Å; V924-F959 HydrophobicContact CG1-CD1 3.53Å; V924-F959 HydrophobicContact CG1-CE1 4.09Å; V924-F959 HydrophobicContact CG1-CG 4.46Å; V924-F959 HydrophobicContact CG2-CD1 4.36Å
925Q93.3Very high95.5Very high126 Ų12627.9 Ų27.959%0.58914%0.137SC*.THydrogen-bonded Turntrans-55.6132178.6179-180-48.600110.7
926G94.3Very high95.5Very high3 Ų328.7 Ų28.73%0.03114%0.142CC..THydrogen-bonded Turntrans105.7-15.1-175.300000114V924 C928 D929 L930V924-G926 PolarHBondContact O-N 2.93Å; G926-C928 VanDerWaalsContact C-N 3.31Å; G926-C928 PolarHBondContact O-N 3.42Å; G926-D929 VanDerWaalsContact O-CB 3.29Å; G926-D929 WeakPolarHBondContact O-CB 3.36Å; G926-D929 PolarHBondContact O-N 3.36Å; G926-D929 VanDerWaalsContact O-N 3.1Å; G926-L930 PolarHBondContact O-N 3.02Å
927M97Very high95.6Very high1 Ų128.3 Ų28.31%0.00514%0.142CC..Hα-helixtrans-63.7-35.3173.9-71.5175.367.600112.6M911 Y914 I915 Y923 V924 D929 L930 L931 F948 M952 F959M911-M927 VanDerWaalsContact CE-C 3.47Å; M911-M927 HydrophobicContact CE-CB 3.87Å; M911-M927 WeakPolarHBondContact CE-O 3.47Å; M911-M927 HydrophobicContact SD-CB 3.99Å; M911-M927 HydrophobicContact SD-CE 4.08Å; Y914-M927 HydrophobicContact CD1-CE 3.59Å; Y914-M927 HydrophobicContact CE1-CE 3.5Å; Y914-M927 VanDerWaalsContact CE1-CE 3.5Å; I915-M927 HydrophobicContact CD1-CE 3.6Å; I915-M927 HydrophobicContact CD1-SD 4.26Å; Y923-M927 HydrophobicContact CD2-CB 4.29Å; Y923-M927 HydrophobicContact CD2-SD 4.29Å; Y923-M927 HydrophobicContact CE2-CB 3.76Å; V924-M927 HydrophobicContact CB-SD 4.23Å; V924-M927 PolarHBondContact N-SD 3.17Å; V924-M927 VanDerWaalsContact N-SD 3.42Å; V924-M927 WeakPolarHBondContact O-CB 3.49Å; V924-M927 VanDerWaalsContact O-CG 3.27Å; V924-M927 WeakPolarHBondContact O-CG 3.37Å; V924-M927 PolarHBondContact O-N 3.32Å; M927-D929 VanDerWaalsContact C-N 3.3Å; M927-D929 PolarHBondContact O-N 3.03Å; M927-L930 PolarHBondContact O-N 3.28Å; M927-L931 PolarHBondContact O-N 3.21Å; M927-F948 HydrophobicContact CB-CZ 4.27Å; M927-F948 HydrophobicContact CE-CE1 4.32Å; M927-F948 HydrophobicContact CE-CZ 4.14Å; M927-M952 HydrophobicContact CE-CE 3.93Å; M927-M952 HydrophobicContact CG-CE 4.1Å; M927-M952 HydrophobicContact SD-CE 4.37Å; M927-F959 HydrophobicContact CG-CE1 4.1Å; M927-F959 HydrophobicContact CG-CE2 4.31Å; M927-F959 HydrophobicContact CG-CZ 3.72Å
928C96.9Very high95.6Very high0 Ų024.4 Ų24.40%013%0.127CC..Hα-helixtrans-60.9-38.5171.3-67.80000112.2D888 Y923 G926 L930 L931 A932D888-C928 HydrophobicContact CB-CB 4.44Å; Y923-C928 PolarHBondContact OH-SG 3.43Å; G926-C928 VanDerWaalsContact C-N 3.31Å; G926-C928 PolarHBondContact O-N 3.42Å; C928-L930 VanDerWaalsContact C-N 3.28Å; C928-L930 PolarHBondContact O-N 3.16Å; C928-L931 PolarHBondContact O-N 3.09Å; C928-A932 WeakPolarHBondContact O-CB 3.47Å; C928-A932 PolarHBondContact O-N 3.23Å
929D97.3Very high95.8Very high23 Ų2325.6 Ų25.612%0.12314%0.135CC..Hα-helixtrans-63.5-36.6178.4-53.6-1.3000111.1G926 M927 P933 L1005 K1008 R1009G926-D929 VanDerWaalsContact O-CB 3.29Å; G926-D929 WeakPolarHBondContact O-CB 3.36Å; G926-D929 PolarHBondContact O-N 3.36Å; G926-D929 VanDerWaalsContact O-N 3.1Å; M927-D929 VanDerWaalsContact C-N 3.3Å; M927-D929 PolarHBondContact O-N 3.03Å; D929-P933 WeakPolarHBondContact O-CD 3.47Å; D929-L1005 HydrophobicContact CB-CD2 4.32Å; D929-K1008 HydrophobicContact CB-CG 4.16Å; D929-R1009 IonicContact OD1-CZ 2.72Å; D929-R1009 IonicContact OD1-NE 3.18Å; D929-R1009 IonicContact OD1-NH2 2.74Å; D929-R1009 PolarHBondContact OD1-NH2 2.8Å; D929-R1009 IonicContact OD2-CZ 3.18Å; D929-R1009 IonicContact OD2-NE 3.72Å; D929-R1009 PolarHBondContact OD2-NE 3.26Å; D929-R1009 IonicContact OD2-NH2 3.91Å; D929-R1009 PolarHBondContact OD2-NH2 2.94Å; D929-R1009 VanDerWaalsContact OD2-NH2 3.17Å
930L98.1Very high96Very high0 Ų026 Ų260%014%0.138CC..Hα-helixtrans-74.9-32.6176.4-70.2177000113.3G926 M927 C928 F948 M952 M955 F959 W1020G926-L930 PolarHBondContact O-N 3.02Å; M927-L930 PolarHBondContact O-N 3.28Å; C928-L930 VanDerWaalsContact C-N 3.28Å; C928-L930 PolarHBondContact O-N 3.16Å; L930-F948 HydrophobicContact CB-CE2 3.99Å; L930-M952 HydrophobicContact CD1-SD 4.02Å; L930-M955 HydrophobicContact CD1-CB 3.92Å; L930-M955 HydrophobicContact CD1-CE 4.29Å; L930-M955 HydrophobicContact CD1-CG 4.07Å; L930-M955 HydrophobicContact CD2-CE 4.12Å; L930-F959 HydrophobicContact CD1-CE2 4.07Å; L930-F959 HydrophobicContact CD1-CZ 3.88Å; L930-W1020 HydrophobicContact CD2-CH2 4.09Å; L930-W1020 HydrophobicContact CD2-CZ2 3.91Å; L930-W1020 WeakPolarHBondContact O-CH2 3.45Å
931L98.4Very high96.4Very high0 Ų021.6 Ų21.60%011%0.113CC..Hα-helixtrans-75.4-34.4176.1177.160.9000112.2L907 V910 M911 M927 C928 L934 L935 F948L907-L931 HydrophobicContact CD1-CB 4.14Å; L907-L931 HydrophobicContact CD1-CD2 3.66Å; L907-L931 HydrophobicContact CD1-CG 3.7Å; L907-L931 HydrophobicContact CG-CD2 4.33Å; V910-L931 HydrophobicContact CB-CD1 4.47Å; V910-L931 HydrophobicContact CB-CD2 3.91Å; V910-L931 HydrophobicContact CG1-CD1 3.59Å; V910-L931 HydrophobicContact CG1-CD2 3.7Å; V910-L931 HydrophobicContact CG1-CG 4.31Å; M911-L931 HydrophobicContact CB-CD2 4.36Å; M911-L931 HydrophobicContact CE-CB 3.96Å; M911-L931 HydrophobicContact CE-CD2 3.79Å; M927-L931 PolarHBondContact O-N 3.21Å; C928-L931 PolarHBondContact O-N 3.09Å; L931-L934 WeakPolarHBondContact O-CB 3.32Å; L931-L934 PolarHBondContact O-N 2.94Å; L931-L934 VanDerWaalsContact O-N 3.11Å; L931-L935 PolarHBondContact O-N 3.46Å; L931-F948 HydrophobicContact CB-CD2 3.84Å; L931-F948 HydrophobicContact CB-CE2 3.82Å; L931-F948 HydrophobicContact CB-CG 4.41Å; L931-F948 HydrophobicContact CB-CZ 4.37Å; L931-F948 HydrophobicContact CD1-CB 3.82Å; L931-F948 HydrophobicContact CD1-CD1 4.48Å; L931-F948 HydrophobicContact CD1-CD2 4.01Å; L931-F948 HydrophobicContact CD1-CG 3.86Å
932A98.1Very high96.8Very high0 Ų019.4 Ų19.40%010%0.102CC..Hα-helixtrans-56.2-45.2-171.200000114.7F899 L907 C928 L935 V936F899-A932 HydrophobicContact CE1-CB 4.35Å; F899-A932 HydrophobicContact CE2-CB 4.35Å; F899-A932 HydrophobicContact CZ-CB 3.66Å; L907-A932 HydrophobicContact CD1-CB 4.44Å; C928-A932 WeakPolarHBondContact O-CB 3.47Å; C928-A932 PolarHBondContact O-N 3.23Å; A932-L935 PolarHBondContact O-N 3.34Å; A932-V936 VanDerWaalsContact O-CG2 3.24Å; A932-V936 WeakPolarHBondContact O-CG2 3.23Å; A932-V936 PolarHBondContact O-N 3.02Å
933P98.1Very high97Very high0 Ų020 Ų200%010%0.103CC..Hα-helixtrans-62.4-39.6174.2-25.636.3000114W572 D929 L935 V936 I937 K1008 Y1013 V1016 F1017 W1020W572-P933 HydrophobicContact CH2-CB 4.29Å; W572-P933 HydrophobicContact CZ3-CB 4.43Å; D929-P933 WeakPolarHBondContact O-CD 3.47Å; P933-L935 VanDerWaalsContact C-N 3.34Å; P933-V936 PolarHBondContact O-N 3.3Å; P933-I937 PolarHBondContact O-N 2.88Å; P933-I937 VanDerWaalsContact O-N 3.14Å; P933-K1008 HydrophobicContact CG-CD 3.67Å; P933-Y1013 HydrophobicContact CB-CE1 4.39Å; P933-Y1013 HydrophobicContact CG-CE1 4.16Å; P933-V1016 HydrophobicContact CB-CG1 4.45Å; P933-V1016 HydrophobicContact CG-CG1 4.08Å; P933-F1017 HydrophobicContact CB-CD1 4.46Å; P933-F1017 HydrophobicContact CB-CE1 4.06Å; P933-W1020 HydrophobicContact CB-CE3 4.11Å; P933-W1020 HydrophobicContact CB-CH2 4.03Å; P933-W1020 HydrophobicContact CB-CZ3 3.65Å; P933-W1020 HydrophobicContact CG-CE3 4.48Å; P933-W1020 HydrophobicContact CG-CH2 3.62Å; P933-W1020 HydrophobicContact CG-CZ2 4.14Å; P933-W1020 HydrophobicContact CG-CZ3 3.81Å
934L98.4Very high97.1Very high0 Ų019.9 Ų19.90%010%0.102CC..Hα-helixtrans-62.3-45.4177.9-57.3178.6000110.2W572 L576 L931 I937 L938 C947 F948 L951 W1020 W1024W572-L934 HydrophobicContact CE3-CD2 3.9Å; W572-L934 HydrophobicContact CZ3-CD2 3.83Å; L576-L934 HydrophobicContact CD1-CD2 3.57Å; L931-L934 WeakPolarHBondContact O-CB 3.32Å; L931-L934 PolarHBondContact O-N 2.94Å; L931-L934 VanDerWaalsContact O-N 3.11Å; L934-I937 PolarHBondContact O-N 3.05Å; L934-L938 HydrophobicContact CB-CD1 4.38Å; L934-L938 VanDerWaalsContact O-CB 3.24Å; L934-L938 WeakPolarHBondContact O-CB 3.4Å; L934-L938 VanDerWaalsContact O-CG 3.26Å; L934-L938 WeakPolarHBondContact O-CG 3.36Å; L934-L938 PolarHBondContact O-N 2.92Å; L934-C947 HydrophobicContact CD1-CB 4.32Å; L934-F948 VanDerWaalsContact CD1-CA 3.49Å; L934-F948 HydrophobicContact CD1-CB 3.75Å; L934-F948 HydrophobicContact CD1-CD2 4.08Å; L934-F948 HydrophobicContact CD1-CG 4.44Å; L934-L951 HydrophobicContact CD1-CD2 3.98Å; L934-W1020 HydrophobicContact CD2-CZ3 4.26Å; L934-W1020 HydrophobicContact CG-CZ3 4.37Å; L934-W1024 HydrophobicContact CD2-CH2 4.26Å
935L98.1Very high97.3Very high0 Ų018.6 Ų18.60%09%0.094CC..Hα-helixtrans-66.8-37.9179.6-169.164.7000112.3Y898 K906 L907 L931 A932 P933 I937 D939 A944Y898-L935 HydrophobicContact CE1-CD2 4.25Å; Y898-L935 HydrophobicContact CE1-CG 3.95Å; Y898-L935 PolarHBondContact OH-O 3.32Å; K906-L935 HydrophobicContact CB-CD1 4.21Å; K906-L935 HydrophobicContact CB-CD2 3.97Å; L907-L935 HydrophobicContact CB-CD2 3.91Å; L907-L935 HydrophobicContact CD1-CD2 3.91Å; L931-L935 PolarHBondContact O-N 3.46Å; A932-L935 PolarHBondContact O-N 3.34Å; P933-L935 VanDerWaalsContact C-N 3.34Å; L935-I937 PolarHBondContact O-N 3.44Å; L935-D939 WeakPolarHBondContact O-CA 3.37Å; L935-D939 PolarHBondContact O-N 2.59Å; L935-A944 HydrophobicContact CD1-CB 4.08Å
936V97.9Very high97.5Very high18 Ų1813.2 Ų13.211%0.1097%0.07CC..Hα-helixtrans-63.5-37.1176.5168.20000112.7Y896 Y898 F899 A932 P933 Y1013 F1017Y896-V936 HydrophobicContact CD1-CG2 4.28Å; Y896-V936 HydrophobicContact CE1-CG1 3.77Å; Y896-V936 HydrophobicContact CE1-CG2 3.83Å; Y898-V936 HydrophobicContact CD1-CB 4.38Å; Y898-V936 HydrophobicContact CD1-CG2 3.5Å; Y898-V936 HydrophobicContact CE1-CG2 4.11Å; Y898-V936 HydrophobicContact CG-CB 4.45Å; Y898-V936 HydrophobicContact CG-CG2 3.78Å; F899-V936 HydrophobicContact CE2-CG2 3.72Å; F899-V936 HydrophobicContact CZ-CG2 3.6Å; A932-V936 VanDerWaalsContact O-CG2 3.24Å; A932-V936 WeakPolarHBondContact O-CG2 3.23Å; A932-V936 PolarHBondContact O-N 3.02Å; P933-V936 PolarHBondContact O-N 3.3Å; V936-Y1013 HydrophobicContact CB-CE1 4.42Å; V936-Y1013 HydrophobicContact CG2-CE1 3.98Å; V936-F1017 HydrophobicContact CG1-CZ 3.89Å
937I97.9Very high97.7Very high27 Ų2713 Ų1314%0.1387%0.069CC..Hα-helixtrans-83.5-39.7179.5-70.5-59.4000112.2R568 K569 W572 P933 L934 L935 F1017R568-I937 HydrophobicContact CB-CD1 4.07Å; R568-I937 HydrophobicContact CB-CG2 3.73Å; K569-I937 HydrophobicContact CB-CG2 4.44Å; W572-I937 HydrophobicContact CD2-CB 4.38Å; W572-I937 HydrophobicContact CD2-CG1 4.4Å; W572-I937 HydrophobicContact CD2-CG2 3.89Å; W572-I937 HydrophobicContact CE3-CB 3.89Å; W572-I937 HydrophobicContact CE3-CG1 4.06Å; W572-I937 HydrophobicContact CE3-CG2 3.8Å; W572-I937 HydrophobicContact CG-CG2 4.31Å; W572-I937 HydrophobicContact CH2-CB 4.38Å; W572-I937 HydrophobicContact CH2-CG1 3.67Å; W572-I937 HydrophobicContact CZ2-CG1 3.98Å; W572-I937 HydrophobicContact CZ3-CB 3.88Å; W572-I937 HydrophobicContact CZ3-CG1 3.68Å; W572-I937 HydrophobicContact CZ3-CG2 4.29Å; P933-I937 PolarHBondContact O-N 2.88Å; P933-I937 VanDerWaalsContact O-N 3.14Å; L934-I937 PolarHBondContact O-N 3.05Å; L935-I937 PolarHBondContact O-N 3.44Å; I937-F1017 HydrophobicContact CD1-CD1 4.42Å; I937-F1017 HydrophobicContact CD1-CD2 4.14Å; I937-F1017 HydrophobicContact CD1-CE1 3.99Å; I937-F1017 HydrophobicContact CD1-CE2 3.73Å; I937-F1017 HydrophobicContact CD1-CG 4.47Å; I937-F1017 HydrophobicContact CD1-CZ 3.62Å; I937-F1017 HydrophobicContact CG1-CD1 4.17Å; I937-F1017 HydrophobicContact CG1-CE1 3.7Å; I937-F1017 HydrophobicContact CG1-CE2 4.38Å; I937-F1017 HydrophobicContact CG1-CZ 3.81Å
938L97.3Very high97.8Very high0 Ų013 Ų130%07%0.069CC..Hα-helixtrans-88.1-35.3-171.7-62.2169.8000113K569 P573 L934 D940 K943 A944 C947K569-L938 WeakPolarHBondContact CE-O 3.27Å; K569-L938 PolarHBondContact NZ-O 3.07Å; P573-L938 HydrophobicContact CG-CD2 3.93Å; L934-L938 HydrophobicContact CB-CD1 4.38Å; L934-L938 VanDerWaalsContact O-CB 3.24Å; L934-L938 WeakPolarHBondContact O-CB 3.4Å; L934-L938 VanDerWaalsContact O-CG 3.26Å; L934-L938 WeakPolarHBondContact O-CG 3.36Å; L934-L938 PolarHBondContact O-N 2.92Å; L938-D940 WeakPolarHBondContact O-CB 3.37Å; L938-D940 PolarHBondContact O-N 3.44Å; L938-K943 HydrophobicContact CD2-CD 4.27Å; L938-K943 HydrophobicContact CD2-CG 4.42Å; L938-A944 HydrophobicContact CD1-CB 4.2Å; L938-C947 HydrophobicContact CD1-CB 3.92Å
939D96.5Very high97.8Very high77 Ų7714.2 Ų14.241%0.4128%0.077SC..  trans41.549.7-174.4-165.413.1000113.2Y898 K906 L935Y898-D939 HydrophobicContact CE2-CB 4.35Å; Y898-D939 PolarHBondContact OH-OD1 3.47Å; Y898-D939 VanDerWaalsContact OH-OD1 3.08Å; K906-D939 IonicContact NZ-OD1 2.64Å; K906-D939 PolarHBondContact NZ-OD1 3.12Å; L935-D939 WeakPolarHBondContact O-CA 3.37Å; L935-D939 PolarHBondContact O-N 2.59Å
940D96.8Very high97.8Very high41 Ų4117 Ų1722%0.2199%0.088CC..  trans-158.5115.9-170.6174.9-32.6000106.8L938 A942 K943 A944L938-D940 WeakPolarHBondContact O-CB 3.37Å; L938-D940 PolarHBondContact O-N 3.44Å; D940-A942 PolarHBondContact OD1-N 3.42Å; D940-K943 HydrophobicContact CB-CB 3.95Å; D940-K943 WeakPolarHBondContact OD1-CB 3.28Å; D940-K943 PolarHBondContact OD1-N 2.7Å; D940-K943 WeakPolarHBondContact OD2-CB 3.43Å; D940-K943 IonicContact OD2-NZ 3.34Å; D940-K943 PolarHBondContact OD2-NZ 3.01Å; D940-A944 WeakPolarHBondContact O-CB 3.19Å; D940-A944 PolarHBondContact O-N 3.09Å
941E97.7Very high97.7Very high48 Ų4817.2 Ų17.222%0.2249%0.089CC..Hα-helixtrans-68.5-48.4-172-70.4-176.4128.300112.8Y599 K906 N909 V910 A944 F945Y599-E941 HydrophobicContact CE1-CB 3.7Å; K906-E941 WeakPolarHBondContact CA-OE1 3.33Å; K906-E941 HydrophobicContact CB-CG 4.06Å; K906-E941 HydrophobicContact CD-CG 4.43Å; K906-E941 HydrophobicContact CG-CG 3.89Å; N909-E941 VanDerWaalsContact CB-OE1 3.32Å; N909-E941 WeakPolarHBondContact CB-OE1 3.48Å; N909-E941 PolarHBondContact ND2-OE1 3.25Å; V910-E941 HydrophobicContact CG2-CB 3.81Å; V910-E941 HydrophobicContact CG2-CG 4.12Å; V910-E941 WeakPolarHBondContact CG2-O 3.48Å; E941-A944 PolarHBondContact O-N 3.41Å; E941-F945 WeakPolarHBondContact O-CB 3.27Å; E941-F945 PolarHBondContact O-N 3.32Å
942A97.4Very high97.6Very high3 Ų317.2 Ų17.23%0.0259%0.089CC..Hα-helixtrans-69.8-37-176.700000111.9M595 Y599 D940 S946M595-A942 HydrophobicContact CG-CB 4.43Å; Y599-A942 HydrophobicContact CD1-CB 4.05Å; Y599-A942 HydrophobicContact CG-CB 3.95Å; D940-A942 PolarHBondContact OD1-N 3.42Å; A942-S946 WeakPolarHBondContact O-CB 3.32Å; A942-S946 PolarHBondContact O-N 3.33Å
943K96.7Very high97.4Very high21 Ų2124.9 Ų24.99%0.09112%0.122CC..Hα-helixtrans-71.4-41175.7-163172.9-83.371.90111.6P573 Y579 D592 L938 D940 S946 C947P573-K943 HydrophobicContact CG-CD 4.29Å; Y579-K943 WeakPolarHBondContact OH-CE 3.49Å; D592-K943 VanDerWaalsContact OD1-CE 3.31Å; D592-K943 WeakPolarHBondContact OD1-CE 3.41Å; D592-K943 IonicContact OD1-NZ 3.77Å; D592-K943 PolarHBondContact OD1-NZ 2.96Å; D592-K943 VanDerWaalsContact OD2-CE 3.29Å; D592-K943 WeakPolarHBondContact OD2-CE 3.48Å; D592-K943 IonicContact OD2-NZ 3.71Å; D592-K943 PolarHBondContact OD2-NZ 3.49Å; L938-K943 HydrophobicContact CD2-CD 4.27Å; L938-K943 HydrophobicContact CD2-CG 4.42Å; D940-K943 HydrophobicContact CB-CB 3.95Å; D940-K943 WeakPolarHBondContact OD1-CB 3.28Å; D940-K943 PolarHBondContact OD1-N 2.7Å; D940-K943 WeakPolarHBondContact OD2-CB 3.43Å; D940-K943 IonicContact OD2-NZ 3.34Å; D940-K943 PolarHBondContact OD2-NZ 3.01Å; K943-S946 PolarHBondContact O-N 2.96Å; K943-C947 WeakPolarHBondContact O-CB 3.37Å; K943-C947 PolarHBondContact O-N 2.86Å; K943-C947 PolarHBondContact O-SG 3.45Å
944A98.3Very high97.1Very high0 Ų028.6 Ų28.60%014%0.136CC..Hα-helixtrans-63.7-42.2172.200000111.7L935 L938 D940 E941 S946 C947 F948L935-A944 HydrophobicContact CD1-CB 4.08Å; L938-A944 HydrophobicContact CD1-CB 4.2Å; D940-A944 WeakPolarHBondContact O-CB 3.19Å; D940-A944 PolarHBondContact O-N 3.09Å; E941-A944 PolarHBondContact O-N 3.41Å; A944-S946 VanDerWaalsContact C-N 3.35Å; A944-S946 PolarHBondContact O-N 3.26Å; A944-C947 PolarHBondContact O-N 3.06Å; A944-F948 WeakPolarHBondContact O-CB 3.47Å; A944-F948 PolarHBondContact O-N 2.89Å
945F98.3Very high96.9Very high3 Ų328.6 Ų28.61%0.01314%0.136CC..Hα-helixtrans-57.1-44.9173.1169.2-93.3000112.3M595 Y599 V910 E941 S949M595-F945 HydrophobicContact CE-CD1 3.62Å; M595-F945 HydrophobicContact CE-CE1 3.51Å; M595-F945 HydrophobicContact SD-CD1 4.24Å; M595-F945 HydrophobicContact SD-CE1 4.42Å; Y599-F945 HydrophobicContact CD2-CB 3.72Å; Y599-F945 AromaticContact CD2-CD1 3.94Å; Y599-F945 HydrophobicContact CD2-CD1 3.94Å; Y599-F945 AromaticContact CD2-CD2 3.94Å; Y599-F945 HydrophobicContact CD2-CD2 3.94Å; Y599-F945 AromaticContact CD2-CG 3.58Å; Y599-F945 HydrophobicContact CD2-CG 3.58Å; Y599-F945 HydrophobicContact CE2-CB 3.83Å; Y599-F945 HydrophobicContact CE2-CD2 4.05Å; Y599-F945 AromaticContact CE2-CG 3.96Å; Y599-F945 HydrophobicContact CE2-CG 3.96Å; V910-F945 HydrophobicContact CG1-CB 3.82Å; V910-F945 HydrophobicContact CG1-CD2 4.44Å; V910-F945 HydrophobicContact CG2-CB 4.46Å; E941-F945 WeakPolarHBondContact O-CB 3.27Å; E941-F945 PolarHBondContact O-N 3.32Å; F945-S949 VanDerWaalsContact O-CB 3.29Å; F945-S949 WeakPolarHBondContact O-CB 3.45Å; F945-S949 PolarHBondContact O-N 3.02Å; F945-S949 PolarHBondContact O-OG 3.41Å
946S97.9Very high96.7Very high12 Ų1230.4 Ų30.48%0.08415%0.146CC..Hα-helixtrans-67.6-48178.7-153.80000111.9H578 M595 A942 K943 A944 F948 S949 K950H578-S946 WeakPolarHBondContact ND1-CB 3.28Å; H578-S946 PolarHBondContact ND1-OG 3.48Å; M595-S946 WeakPolarHBondContact SD-CB 3.17Å; M595-S946 PolarHBondContact SD-OG 2.92Å; A942-S946 WeakPolarHBondContact O-CB 3.32Å; A942-S946 PolarHBondContact O-N 3.33Å; K943-S946 PolarHBondContact O-N 2.96Å; A944-S946 VanDerWaalsContact C-N 3.35Å; A944-S946 PolarHBondContact O-N 3.26Å; S946-F948 VanDerWaalsContact C-N 3.32Å; S946-F948 PolarHBondContact O-N 3.42Å; S946-S949 WeakPolarHBondContact O-CB 3.43Å; S946-S949 PolarHBondContact O-N 3.01Å; S946-K950 WeakPolarHBondContact O-CG 3.39Å; S946-K950 PolarHBondContact O-N 3Å
947C98.4Very high96.4Very high0 Ų035.1 Ų35.10%017%0.167CC..Hα-helixtrans-60.8-41177.2-69.60000111.8L576 L934 L938 K943 A944 K950 L951L576-C947 HydrophobicContact CD1-CB 3.74Å; L934-C947 HydrophobicContact CD1-CB 4.32Å; L938-C947 HydrophobicContact CD1-CB 3.92Å; K943-C947 WeakPolarHBondContact O-CB 3.37Å; K943-C947 PolarHBondContact O-N 2.86Å; K943-C947 PolarHBondContact O-SG 3.45Å; A944-C947 PolarHBondContact O-N 3.06Å; C947-K950 PolarHBondContact O-N 3.13Å; C947-L951 WeakPolarHBondContact O-CB 3.32Å; C947-L951 PolarHBondContact O-N 3.09Å
948F98.4Very high96.1Very high0 Ų034.3 Ų34.30%016%0.163CC..Hα-helixtrans-65.4-44.9174.7-176.8-111.4000111.3M911 Y914 M927 L930 L931 L934 A944 S946 K950 L951 M952M911-F948 HydrophobicContact CE-CE1 3.99Å; M911-F948 HydrophobicContact CE-CE2 4.47Å; M911-F948 HydrophobicContact CE-CZ 3.73Å; M911-F948 HydrophobicContact SD-CE1 4.23Å; M911-F948 HydrophobicContact SD-CZ 4.33Å; Y914-F948 HydrophobicContact CD1-CD1 4.4Å; Y914-F948 AromaticContact CD1-CE1 3.72Å; Y914-F948 HydrophobicContact CD1-CE1 3.72Å; Y914-F948 AromaticContact CD2-CD1 3.89Å; Y914-F948 HydrophobicContact CD2-CD1 3.89Å; Y914-F948 HydrophobicContact CD2-CE1 4.02Å; Y914-F948 HydrophobicContact CE1-CE1 4.28Å; Y914-F948 AromaticContact CG-CD1 3.83Å; Y914-F948 HydrophobicContact CG-CD1 3.83Å; Y914-F948 AromaticContact CG-CE1 3.59Å; Y914-F948 HydrophobicContact CG-CE1 3.59Å; M927-F948 HydrophobicContact CB-CZ 4.27Å; M927-F948 HydrophobicContact CE-CE1 4.32Å; M927-F948 HydrophobicContact CE-CZ 4.14Å; L930-F948 HydrophobicContact CB-CE2 3.99Å; L931-F948 HydrophobicContact CB-CD2 3.84Å; L931-F948 HydrophobicContact CB-CE2 3.82Å; L931-F948 HydrophobicContact CB-CG 4.41Å; L931-F948 HydrophobicContact CB-CZ 4.37Å; L931-F948 HydrophobicContact CD1-CB 3.82Å; L931-F948 HydrophobicContact CD1-CD1 4.48Å; L931-F948 HydrophobicContact CD1-CD2 4.01Å; L931-F948 HydrophobicContact CD1-CG 3.86Å; L934-F948 VanDerWaalsContact CD1-CA 3.49Å; L934-F948 HydrophobicContact CD1-CB 3.75Å; L934-F948 HydrophobicContact CD1-CD2 4.08Å; L934-F948 HydrophobicContact CD1-CG 4.44Å; A944-F948 WeakPolarHBondContact O-CB 3.47Å; A944-F948 PolarHBondContact O-N 2.89Å; S946-F948 VanDerWaalsContact C-N 3.32Å; S946-F948 PolarHBondContact O-N 3.42Å; F948-K950 PolarHBondContact O-N 2.8Å; F948-L951 PolarHBondContact O-N 3.21Å; F948-L951 VanDerWaalsContact O-N 3.14Å; F948-M952 HydrophobicContact CD1-CG 4.09Å; F948-M952 HydrophobicContact CD2-CG 4.15Å; F948-M952 HydrophobicContact CD2-SD 4.42Å; F948-M952 HydrophobicContact CE1-CG 3.75Å; F948-M952 HydrophobicContact CE1-SD 4.33Å; F948-M952 HydrophobicContact CE2-CG 3.8Å; F948-M952 HydrophobicContact CE2-SD 3.62Å; F948-M952 HydrophobicContact CG-CG 4.28Å; F948-M952 HydrophobicContact CZ-CG 3.58Å; F948-M952 HydrophobicContact CZ-SD 3.57Å; F948-M952 VanDerWaalsContact CZ-SD 3.57Å; F948-M952 VanDerWaalsContact O-CG 3.31Å; F948-M952 WeakPolarHBondContact O-CG 3.45Å; F948-M952 PolarHBondContact O-N 2.87Å
949S97.2Very high95.8Very high26 Ų2634.7 Ų34.718%0.18217%0.165CC..Hα-helixtrans-59-33.2175.6-61.80000112.6F945 S946F945-S949 VanDerWaalsContact O-CB 3.29Å; F945-S949 WeakPolarHBondContact O-CB 3.45Å; F945-S949 PolarHBondContact O-N 3.02Å; F945-S949 PolarHBondContact O-OG 3.41Å; S946-S949 WeakPolarHBondContact O-CB 3.43Å; S946-S949 PolarHBondContact O-N 3.01Å
950K96.9Very high95.2Very high81 Ų8135.3 Ų35.335%0.35217%0.173SC..Hα-helixtrans-75.8-43.7174.1-57.5-96.2179.4157.50111.6L576 G577 S946 C947 F948 M952 K953L576-K950 WeakPolarHBondContact O-CB 3.44Å; G577-K950 WeakPolarHBondContact O-CD 3.5Å; G577-K950 VanDerWaalsContact O-CE 3.25Å; G577-K950 WeakPolarHBondContact O-CE 3.38Å; G577-K950 PolarHBondContact O-NZ 3.46Å; S946-K950 WeakPolarHBondContact O-CG 3.39Å; S946-K950 PolarHBondContact O-N 3Å; C947-K950 PolarHBondContact O-N 3.13Å; F948-K950 PolarHBondContact O-N 2.8Å; K950-M952 PolarHBondContact O-N 3.34Å; K950-K953 WeakPolarHBondContact O-CB 3.21Å; K950-K953 PolarHBondContact O-N 3.46Å
951L97.3Very high94.4Very high4 Ų440.3 Ų40.32%0.02120%0.195CC..Hα-helixtrans-57.8-44.8175177.560.3000112L576 L934 C947 F948 K953 R954 M955 W1020L576-L951 HydrophobicContact CD2-CB 4.2Å; L576-L951 HydrophobicContact CD2-CD1 4.37Å; L934-L951 HydrophobicContact CD1-CD2 3.98Å; C947-L951 WeakPolarHBondContact O-CB 3.32Å; C947-L951 PolarHBondContact O-N 3.09Å; F948-L951 PolarHBondContact O-N 3.21Å; F948-L951 VanDerWaalsContact O-N 3.14Å; L951-K953 PolarHBondContact O-N 3.33Å; L951-R954 VanDerWaalsContact CD1-NH2 3.3Å; L951-R954 PolarHBondContact O-N 2.93Å; L951-M955 HydrophobicContact CD1-CG 3.91Å; L951-M955 HydrophobicContact CG-CG 4.03Å; L951-M955 PolarHBondContact O-N 3.07Å; L951-M955 VanDerWaalsContact O-N 3.07Å; L951-W1020 HydrophobicContact CD2-CH2 4.2Å; L951-W1020 HydrophobicContact CD2-CZ3 4.06Å
952M96.1Very high93.4Very high0 Ų039.6 Ų39.60%020%0.201CC..Hα-helixtrans-64.8-21.3-180-66.5-55.9-61.100113.1Y914 M927 L930 F948 K950 R954 M955 N956 F959Y914-M952 HydrophobicContact CE1-CG 4.3Å; Y914-M952 HydrophobicContact CE2-CB 4.11Å; Y914-M952 HydrophobicContact CE2-CG 4.21Å; Y914-M952 WeakPolarHBondContact OH-CB 3.44Å; M927-M952 HydrophobicContact CE-CE 3.93Å; M927-M952 HydrophobicContact CG-CE 4.1Å; M927-M952 HydrophobicContact SD-CE 4.37Å; L930-M952 HydrophobicContact CD1-SD 4.02Å; F948-M952 HydrophobicContact CD1-CG 4.09Å; F948-M952 HydrophobicContact CD2-CG 4.15Å; F948-M952 HydrophobicContact CD2-SD 4.42Å; F948-M952 HydrophobicContact CE1-CG 3.75Å; F948-M952 HydrophobicContact CE1-SD 4.33Å; F948-M952 HydrophobicContact CE2-CG 3.8Å; F948-M952 HydrophobicContact CE2-SD 3.62Å; F948-M952 HydrophobicContact CG-CG 4.28Å; F948-M952 HydrophobicContact CZ-CG 3.58Å; F948-M952 HydrophobicContact CZ-SD 3.57Å; F948-M952 VanDerWaalsContact CZ-SD 3.57Å; F948-M952 VanDerWaalsContact O-CG 3.31Å; F948-M952 WeakPolarHBondContact O-CG 3.45Å; F948-M952 PolarHBondContact O-N 2.87Å; K950-M952 PolarHBondContact O-N 3.34Å; M952-R954 PolarHBondContact O-N 3.37Å; M952-M955 HydrophobicContact CE-CB 4.43Å; M952-M955 PolarHBondContact O-N 3.33Å; M952-M955 HydrophobicContact SD-CB 4.1Å; M952-N956 WeakPolarHBondContact CE-OD1 3.41Å; M952-N956 WeakPolarHBondContact O-CB 3.46Å; M952-N956 PolarHBondContact O-N 3.14Å; M952-N956 PolarHBondContact O-ND2 2.86Å; M952-F959 HydrophobicContact CE-CD2 4.17Å; M952-F959 HydrophobicContact CE-CE2 3.55Å; M952-F959 HydrophobicContact CE-CZ 4.33Å
953K93.8Very high92.6Very high161 Ų16141.7 Ų41.770%0.722%0.222SC*.Hα-helixtrans-60.3-28.5170.4-63.2-167.5178.6-167.10113K950 L951K950-K953 WeakPolarHBondContact O-CB 3.21Å; K950-K953 PolarHBondContact O-N 3.46Å; L951-K953 PolarHBondContact O-N 3.33Å
954R92.6Very high92.2Very high78 Ų7841.3 Ų41.329%0.29422%0.223SC..Hα-helixtrans-85.9-50.1168.1179.3172.559.293.25.2110.9L951 M952 N956 Q957 D1006L951-R954 VanDerWaalsContact CD1-NH2 3.3Å; L951-R954 PolarHBondContact O-N 2.93Å; M952-R954 PolarHBondContact O-N 3.37Å; R954-N956 PolarHBondContact O-N 3.45Å; R954-Q957 PolarHBondContact O-N 2.81Å; R954-D1006 IonicContact CZ-OD1 3.63Å; R954-D1006 IonicContact CZ-OD2 2.81Å; R954-D1006 VanDerWaalsContact NH1-CG 3.31Å; R954-D1006 IonicContact NH1-OD1 3.33Å; R954-D1006 PolarHBondContact NH1-OD1 2.88Å; R954-D1006 IonicContact NH1-OD2 3.08Å; R954-D1006 PolarHBondContact NH1-OD2 3.18Å; R954-D1006 IonicContact NH2-OD2 3.44Å; R954-D1006 PolarHBondContact NH2-OD2 3.33Å
955M94.3Very high91.8Very high0 Ų042 Ų420%023%0.226CC..Hα-helixtrans-73.7-24.7-167.1-59-52.2-7800114.7L930 L951 M952 Q957 N958 F959 L1004 D1006L930-M955 HydrophobicContact CD1-CB 3.92Å; L930-M955 HydrophobicContact CD1-CE 4.29Å; L930-M955 HydrophobicContact CD1-CG 4.07Å; L930-M955 HydrophobicContact CD2-CE 4.12Å; L951-M955 HydrophobicContact CD1-CG 3.91Å; L951-M955 HydrophobicContact CG-CG 4.03Å; L951-M955 PolarHBondContact O-N 3.07Å; L951-M955 VanDerWaalsContact O-N 3.07Å; M952-M955 HydrophobicContact CE-CB 4.43Å; M952-M955 PolarHBondContact O-N 3.33Å; M952-M955 HydrophobicContact SD-CB 4.1Å; M955-Q957 PolarHBondContact O-N 3.01Å; M955-Q957 VanDerWaalsContact O-N 3.08Å; M955-N958 WeakPolarHBondContact O-CB 3.44Å; M955-N958 PolarHBondContact O-N 3.41Å; M955-F959 HydrophobicContact CB-CE2 4.3Å; M955-F959 WeakPolarHBondContact O-CD2 3.35Å; M955-L1004 WeakPolarHBondContact CE-O 3.47Å; M955-D1006 HydrophobicContact CE-CB 4.37Å; M955-D1006 WeakPolarHBondContact CE-OD2 3.1Å; M955-D1006 VanDerWaalsContact SD-OD2 3.32Å
956N92.3Very high91.3Very high38 Ų3846.6 Ų46.620%0.20325%0.251CS..G310 helixtrans-53.6-31.4176.4-81.5-18.9000113Y914 M952 R954 N958Y914-N956 PolarHBondContact OH-ND2 2.86Å; M952-N956 WeakPolarHBondContact CE-OD1 3.41Å; M952-N956 WeakPolarHBondContact O-CB 3.46Å; M952-N956 PolarHBondContact O-N 3.14Å; M952-N956 PolarHBondContact O-ND2 2.86Å; R954-N956 PolarHBondContact O-N 3.45Å; N956-N958 VanDerWaalsContact C-N 3.29Å; N956-N958 PolarHBondContact O-N 2.98Å
957Q91.3Very high90.9Very high118 Ų11849.7 Ų49.755%0.55127%0.27SS*.G310 helixtrans-70.4-22.8178.8-59.9-172.3-3.400113.6R954 M955 G962 G963 A964R954-Q957 PolarHBondContact O-N 2.81Å; M955-Q957 PolarHBondContact O-N 3.01Å; M955-Q957 VanDerWaalsContact O-N 3.08Å; Q957-G962 CarbonylContact O-C 3.54Å; Q957-G962 WeakPolarHBondContact O-CA 3.4Å; Q957-G963 PolarHBondContact O-N 2.81Å; Q957-A964 HydrophobicContact CB-CB 3.88Å; Q957-A964 VanDerWaalsContact O-CB 3.23Å; Q957-A964 WeakPolarHBondContact O-CB 3.14Å; Q957-A964 PolarHBondContact O-N 3.05Å
958N92.7Very high90.5Very high9 Ų950.4 Ų50.45%0.04827%0.273CS..G310 helixtrans-85-17.4-178.5-69.2-1.4000113.1M955 N956 M965 H968 F1003 L1004M955-N958 WeakPolarHBondContact O-CB 3.44Å; M955-N958 PolarHBondContact O-N 3.41Å; N956-N958 VanDerWaalsContact C-N 3.29Å; N956-N958 PolarHBondContact O-N 2.98Å; N958-M965 HydrophobicContact CB-CE 4.21Å; N958-M965 WeakPolarHBondContact O-CE 3.41Å; N958-M965 WeakPolarHBondContact O-CG 3.37Å; N958-H968 PolarHBondContact OD1-NE2 2.84Å; N958-F1003 PolarHBondContact ND2-O 3.08Å; N958-L1004 WeakPolarHBondContact O-CD1 3.4Å
959F91.1Very high90.1Very high8 Ų850.6 Ų50.64%0.03527%0.274CS..SBendtrans-76.7163.4174.9-69.8-80.2000111.5V924 M927 L930 M952 M955 H961 G962 L1004V924-F959 HydrophobicContact CB-CD1 3.71Å; V924-F959 HydrophobicContact CB-CE1 4.07Å; V924-F959 HydrophobicContact CB-CG 4.44Å; V924-F959 HydrophobicContact CG1-CD1 3.53Å; V924-F959 HydrophobicContact CG1-CE1 4.09Å; V924-F959 HydrophobicContact CG1-CG 4.46Å; V924-F959 HydrophobicContact CG2-CD1 4.36Å; M927-F959 HydrophobicContact CG-CE1 4.1Å; M927-F959 HydrophobicContact CG-CE2 4.31Å; M927-F959 HydrophobicContact CG-CZ 3.72Å; L930-F959 HydrophobicContact CD1-CE2 4.07Å; L930-F959 HydrophobicContact CD1-CZ 3.88Å; M952-F959 HydrophobicContact CE-CD2 4.17Å; M952-F959 HydrophobicContact CE-CE2 3.55Å; M952-F959 HydrophobicContact CE-CZ 4.33Å; M955-F959 HydrophobicContact CB-CE2 4.3Å; M955-F959 WeakPolarHBondContact O-CD2 3.35Å; F959-H961 PolarHBondContact O-N 3.2Å; F959-G962 PolarHBondContact O-N 3.46Å; F959-L1004 HydrophobicContact CD1-CD1 3.62Å; F959-L1004 HydrophobicContact CE1-CD1 3.76Å; F959-L1004 HydrophobicContact CE1-CG 4.28Å; F959-L1004 HydrophobicContact CG-CD1 4.13Å; F959-L1004 HydrophobicContact CZ-CD1 4.35Å
960P83.7Confident89.6Confident90 Ų9051.7 Ų51.758%0.58428%0.284SS*.THydrogen-bonded Turntrans-56.4-23.9-170.6-29.737.2000116.5
961H79.5Confident89.3Confident146 Ų14649 Ų4968%0.67627%0.274SS*.THydrogen-bonded Turntrans-81.4-12.7177.1-49.6136.6000113.7F959F959-H961 PolarHBondContact O-N 3.2Å
962G77Confident89Confident34 Ų3448.8 Ų48.835%0.35127%0.273SS..THydrogen-bonded Turntrans-102.4-15.8-166.700000116.7Q957 F959 A964Q957-G962 CarbonylContact O-C 3.54Å; Q957-G962 WeakPolarHBondContact O-CA 3.4Å; F959-G962 PolarHBondContact O-N 3.46Å; G962-A964 VanDerWaalsContact C-N 3.26Å; G962-A964 PolarHBondContact O-N 3.1Å; G962-A964 VanDerWaalsContact O-N 3.11Å
963G81.4Confident88.5Confident47 Ų4751.4 Ų51.449%0.48528%0.283SS..  trans70.8-3.7170.300000117.9Q957 M965Q957-G963 PolarHBondContact O-N 2.81Å; G963-M965 VanDerWaalsContact C-N 3.27Å; G963-M965 PolarHBondContact O-N 3.47Å
964A87.6Confident88.1Confident12 Ų1245.2 Ų45.210%0.09926%0.26CS..Hα-helixtrans-70.2-21.6-176.900000113.9Q957 G962 D966 T967 H968Q957-A964 HydrophobicContact CB-CB 3.88Å; Q957-A964 VanDerWaalsContact O-CB 3.23Å; Q957-A964 WeakPolarHBondContact O-CB 3.14Å; Q957-A964 PolarHBondContact O-N 3.05Å; G962-A964 VanDerWaalsContact C-N 3.26Å; G962-A964 PolarHBondContact O-N 3.1Å; G962-A964 VanDerWaalsContact O-N 3.11Å; A964-D966 PolarHBondContact O-N 3.37Å; A964-T967 CarbonylContact O-C 3.57Å; A964-T967 WeakPolarHBondContact O-CA 3.32Å; A964-T967 WeakPolarHBondContact O-CB 3.37Å; A964-T967 PolarHBondContact O-N 2.99Å; A964-T967 VanDerWaalsContact O-N 3.13Å; A964-H968 PolarHBondContact O-CD2 2.99Å; A964-H968 VanDerWaalsContact O-CD2 3.32Å; A964-H968 PolarHBondContact O-N 2.8Å
965M89Confident88Confident14 Ų1441.5 Ų41.57%0.06925%0.246CC..Hα-helixtrans-58.2-46.1-178.5-79.7-67.4-173.100113.6N958 G963 T967 H968 F969 Y1000 F1003 L1004N958-M965 HydrophobicContact CB-CE 4.21Å; N958-M965 WeakPolarHBondContact O-CE 3.41Å; N958-M965 WeakPolarHBondContact O-CG 3.37Å; G963-M965 VanDerWaalsContact C-N 3.27Å; G963-M965 PolarHBondContact O-N 3.47Å; M965-T967 PolarHBondContact O-N 2.87Å; M965-H968 PolarHBondContact O-N 3.36Å; M965-H968 VanDerWaalsContact O-N 3.12Å; M965-F969 HydrophobicContact CB-CD2 4.5Å; M965-F969 HydrophobicContact CB-CE2 4.02Å; M965-F969 WeakPolarHBondContact O-CD2 3.36Å; M965-F969 VanDerWaalsContact O-CG 3.31Å; M965-F969 WeakPolarHBondContact O-CG 2.99Å; M965-F969 PolarHBondContact O-N 2.66Å; M965-F969 HydrophobicContact SD-CE2 4.35Å; M965-F969 HydrophobicContact SD-CZ 4.03Å; M965-Y1000 HydrophobicContact CE-CD2 4.12Å; M965-Y1000 HydrophobicContact CE-CE2 4.09Å; M965-Y1000 HydrophobicContact CE-CG 4.49Å; M965-Y1000 WeakPolarHBondContact CE-O 3.28Å; M965-Y1000 HydrophobicContact CG-CD2 4.27Å; M965-Y1000 HydrophobicContact CG-CE2 3.93Å; M965-Y1000 HydrophobicContact SD-CD2 4Å; M965-Y1000 HydrophobicContact SD-CE2 4.19Å; M965-F1003 HydrophobicContact CE-CB 3.83Å; M965-F1003 HydrophobicContact SD-CB 3.89Å; M965-F1003 HydrophobicContact SD-CD2 4.37Å; M965-L1004 HydrophobicContact CE-CB 3.66Å; M965-L1004 HydrophobicContact CE-CD1 4.12Å; M965-L1004 VanDerWaalsContact CE-N 3.34Å
966D88.1Confident87.7Confident101 Ų10141.6 Ų41.654%0.5425%0.246SC..Hα-helixtrans-63.9-33.5178.3-61.9-47.2000111.5A964 F969 A970A964-D966 PolarHBondContact O-N 3.37Å; D966-F969 PolarHBondContact O-N 3.39Å; D966-A970 VanDerWaalsContact O-CB 3.32Å; D966-A970 WeakPolarHBondContact O-CB 3.49Å; D966-A970 PolarHBondContact O-N 3.32Å
967T89.3Confident87.4Confident77 Ų7743.8 Ų43.847%0.47226%0.255SS..Hα-helixtrans-67.9-43.6173-61.30000111.3A964 M965 F969 A970 N971A964-T967 CarbonylContact O-C 3.57Å; A964-T967 WeakPolarHBondContact O-CA 3.32Å; A964-T967 WeakPolarHBondContact O-CB 3.37Å; A964-T967 PolarHBondContact O-N 2.99Å; A964-T967 VanDerWaalsContact O-N 3.13Å; M965-T967 PolarHBondContact O-N 2.87Å; T967-F969 VanDerWaalsContact C-N 3.35Å; T967-F969 PolarHBondContact O-N 3.49Å; T967-A970 PolarHBondContact O-N 3.04Å; T967-N971 WeakPolarHBondContact CG2-ND2 3.4Å; T967-N971 WeakPolarHBondContact O-CB 3.49Å; T967-N971 PolarHBondContact O-N 2.89Å; T967-N971 PolarHBondContact O-ND2 2.83Å; T967-N971 VanDerWaalsContact O-ND2 3.1Å
968H91.1Very high87.1Confident14 Ų1440.2 Ų40.27%0.06524%0.239CC..Hα-helixtrans-60.1-44.2174.4-63.7-39.9000111.2N958 A964 M965 N971 M972 F1003 L1036N958-H968 PolarHBondContact OD1-NE2 2.84Å; A964-H968 PolarHBondContact O-CD2 2.99Å; A964-H968 VanDerWaalsContact O-CD2 3.32Å; A964-H968 PolarHBondContact O-N 2.8Å; M965-H968 PolarHBondContact O-N 3.36Å; M965-H968 VanDerWaalsContact O-N 3.12Å; H968-N971 PolarHBondContact O-N 3.1Å; H968-M972 VanDerWaalsContact O-CB 3.24Å; H968-M972 WeakPolarHBondContact O-CB 3.48Å; H968-M972 PolarHBondContact O-N 2.9Å; H968-F1003 HydrophobicContact CB-CD2 3.84Å; H968-F1003 HydrophobicContact CB-CE2 3.95Å; H968-F1003 HydrophobicContact CB-CG 4.39Å; H968-L1036 HydrophobicContact CB-CD2 3.86Å
969F89.6Confident86.8Confident4 Ų441.9 Ų41.92%0.01825%0.248CC..Hα-helixtrans-69.2-37.2179-59.8-42.4000113.5M965 D966 T967 R973 H995 F996 Y997 C999 Y1000 F1003M965-F969 HydrophobicContact CB-CD2 4.5Å; M965-F969 HydrophobicContact CB-CE2 4.02Å; M965-F969 WeakPolarHBondContact O-CD2 3.36Å; M965-F969 VanDerWaalsContact O-CG 3.31Å; M965-F969 WeakPolarHBondContact O-CG 2.99Å; M965-F969 PolarHBondContact O-N 2.66Å; M965-F969 HydrophobicContact SD-CE2 4.35Å; M965-F969 HydrophobicContact SD-CZ 4.03Å; D966-F969 PolarHBondContact O-N 3.39Å; T967-F969 VanDerWaalsContact C-N 3.35Å; T967-F969 PolarHBondContact O-N 3.49Å; F969-R973 WeakPolarHBondContact O-CB 3.42Å; F969-R973 PolarHBondContact O-N 3.43Å; F969-H995 VanDerWaalsContact CD1-O 3.29Å; F969-H995 WeakPolarHBondContact CD1-O 3.47Å; F969-H995 WeakPolarHBondContact CD2-O 3.4Å; F969-H995 WeakPolarHBondContact CG-O 3.27Å; F969-F996 HydrophobicContact CB-CB 4.42Å; F969-F996 HydrophobicContact CD1-CB 3.69Å; F969-F996 HydrophobicContact CE1-CB 4.34Å; F969-F996 HydrophobicContact CG-CB 4.32Å; F969-Y997 HydrophobicContact CE2-CD1 4.12Å; F969-Y997 HydrophobicContact CE2-CE1 4.36Å; F969-Y997 HydrophobicContact CZ-CD1 4.38Å; F969-C999 HydrophobicContact CE1-CB 4.16Å; F969-Y1000 HydrophobicContact CE2-CD2 4.15Å; F969-Y1000 AromaticContact CZ-CD2 3.85Å; F969-Y1000 HydrophobicContact CZ-CD2 3.85Å; F969-Y1000 HydrophobicContact CZ-CG 4.4Å; F969-F1003 HydrophobicContact CD1-CD2 4.33Å; F969-F1003 HydrophobicContact CD1-CE2 4.03Å; F969-F1003 AromaticContact CE1-CD2 3.86Å; F969-F1003 HydrophobicContact CE1-CD2 3.86Å; F969-F1003 AromaticContact CE1-CE2 3.91Å; F969-F1003 HydrophobicContact CE1-CE2 3.91Å
970A87.6Confident86.6Confident49 Ų4942 Ų4241%0.40525%0.249SC..Hα-helixtrans-66-39173.200000112.3D966 T967 S974D966-A970 VanDerWaalsContact O-CB 3.32Å; D966-A970 WeakPolarHBondContact O-CB 3.49Å; D966-A970 PolarHBondContact O-N 3.32Å; T967-A970 PolarHBondContact O-N 3.04Å; A970-S974 PolarHBondContact O-N 3.03Å; A970-S974 VanDerWaalsContact O-N 3.09Å; A970-S974 PolarHBondContact O-OG 3.06Å
971N90.1Very high86.7Confident24 Ų2441.1 Ų41.113%0.12825%0.245CC..Hα-helixtrans-71.5-40.6175.6-68.8-29.3000111.7L516 T967 H968 R973 S974 L975 L1036L516-N971 HydrophobicContact CD1-CB 4.01Å; L516-N971 HydrophobicContact CD2-CB 4.15Å; L516-N971 WeakPolarHBondContact CD2-ND2 3.07Å; T967-N971 WeakPolarHBondContact CG2-ND2 3.4Å; T967-N971 WeakPolarHBondContact O-CB 3.49Å; T967-N971 PolarHBondContact O-N 2.89Å; T967-N971 PolarHBondContact O-ND2 2.83Å; T967-N971 VanDerWaalsContact O-ND2 3.1Å; H968-N971 PolarHBondContact O-N 3.1Å; N971-R973 PolarHBondContact O-N 2.67Å; N971-S974 PolarHBondContact O-N 3.28Å; N971-L975 WeakPolarHBondContact O-CB 3.46Å; N971-L975 WeakPolarHBondContact O-CG 3.38Å; N971-L975 PolarHBondContact O-N 3.49Å; N971-L1036 HydrophobicContact CB-CD1 3.55Å
972M90Very high87.2Confident1 Ų139.4 Ų39.41%0.00524%0.237CC..Hα-helixtrans-60.8-43.7174.7-164.268.5-97.900111.3H968 S974 L975 I976 F996 F1003 A1039 L1040H968-M972 VanDerWaalsContact O-CB 3.24Å; H968-M972 WeakPolarHBondContact O-CB 3.48Å; H968-M972 PolarHBondContact O-N 2.9Å; M972-S974 PolarHBondContact O-N 3.46Å; M972-L975 HydrophobicContact CE-CB 4.08Å; M972-L975 HydrophobicContact CE-CD1 4.31Å; M972-L975 PolarHBondContact O-N 3.38Å; M972-I976 HydrophobicContact CE-CD1 3.84Å; M972-I976 HydrophobicContact CE-CG1 3.78Å; M972-I976 HydrophobicContact CG-CD1 4.18Å; M972-I976 WeakPolarHBondContact O-CG1 3.32Å; M972-I976 PolarHBondContact O-N 3.47Å; M972-F996 HydrophobicContact CG-CD1 4.36Å; M972-F996 HydrophobicContact CG-CG 4.37Å; M972-F1003 HydrophobicContact SD-CZ 4.19Å; M972-A1039 HydrophobicContact SD-CB 3.93Å; M972-L1040 HydrophobicContact CE-CB 3.63Å; M972-L1040 HydrophobicContact CE-CD1 3.83Å; M972-L1040 HydrophobicContact CE-CG 4.18Å
973R86.4Confident87.6Confident55 Ų5537.9 Ų37.921%0.20822%0.221CC..Hα-helixtrans-54.5-50.8171.3-178.2173.6-53.7-52.7-33.4112.1F969 N971 I976 Q977 F984 Y993 T994 F996F969-R973 WeakPolarHBondContact O-CB 3.42Å; F969-R973 PolarHBondContact O-N 3.43Å; N971-R973 PolarHBondContact O-N 2.67Å; R973-I976 PolarHBondContact O-N 3.06Å; R973-Q977 VanDerWaalsContact O-CB 3.31Å; R973-Q977 WeakPolarHBondContact O-CB 3.27Å; R973-Q977 PolarHBondContact O-N 3.2Å; R973-F984 HydrophobicContact CG-CE2 3.9Å; R973-Y993 VanDerWaalsContact CZ-O 3.31Å; R973-Y993 PolarHBondContact NH1-O 2.8Å; R973-Y993 PolarHBondContact NH2-O 3.21Å; R973-T994 PolarHBondContact NH2-O 3.42Å; R973-F996 VanDerWaalsContact CA-CE2 3.48Å; R973-F996 HydrophobicContact CB-CD2 4.22Å; R973-F996 HydrophobicContact CB-CE2 3.69Å; R973-F996 HydrophobicContact CG-CE2 4.22Å
974S86.2Confident87.8Confident31 Ų3137.3 Ų37.322%0.21721%0.205CC..Hα-helixtrans-61.8-48.6-178.1-56.30000110.5A970 N971 M972 I976 Q977 I978A970-S974 PolarHBondContact O-N 3.03Å; A970-S974 VanDerWaalsContact O-N 3.09Å; A970-S974 PolarHBondContact O-OG 3.06Å; N971-S974 PolarHBondContact O-N 3.28Å; M972-S974 PolarHBondContact O-N 3.46Å; S974-I976 PolarHBondContact O-N 3.3Å; S974-Q977 PolarHBondContact O-N 3.41Å; S974-I978 WeakPolarHBondContact O-CB 3.41Å; S974-I978 WeakPolarHBondContact O-CD1 3.27Å; S974-I978 WeakPolarHBondContact O-CG1 3.44Å; S974-I978 PolarHBondContact O-N 3.37Å; S974-I978 VanDerWaalsContact O-N 3.08Å
975L89.9Confident87.8Confident0 Ų042.2 Ų42.20%023%0.226CC..Hα-helixtrans-56.1-50.4178.6-76.4166.5000112.2L513 L516 N971 M972 I978 L979 L1036 F1037 L1040 V1087L513-L975 HydrophobicContact CD2-CD2 3.73Å; L513-L975 HydrophobicContact CD2-CG 4.22Å; L516-L975 HydrophobicContact CD1-CD1 4.18Å; L516-L975 HydrophobicContact CD1-CD2 4.3Å; L516-L975 HydrophobicContact CD1-CG 4.13Å; N971-L975 WeakPolarHBondContact O-CB 3.46Å; N971-L975 WeakPolarHBondContact O-CG 3.38Å; N971-L975 PolarHBondContact O-N 3.49Å; M972-L975 HydrophobicContact CE-CB 4.08Å; M972-L975 HydrophobicContact CE-CD1 4.31Å; M972-L975 PolarHBondContact O-N 3.38Å; L975-I978 PolarHBondContact O-N 3.15Å; L975-L979 HydrophobicContact CD2-CD1 4.06Å; L975-L979 VanDerWaalsContact O-CB 3.3Å; L975-L979 WeakPolarHBondContact O-CB 3.36Å; L975-L979 WeakPolarHBondContact O-CG 3.25Å; L975-L979 PolarHBondContact O-N 2.9Å; L975-L1036 HydrophobicContact CD1-CB 3.87Å; L975-L1036 HydrophobicContact CD1-CD1 4.26Å; L975-F1037 HydrophobicContact CD1-CZ 4.47Å; L975-F1037 HydrophobicContact CD2-CE1 3.93Å; L975-F1037 HydrophobicContact CD2-CZ 4.04Å; L975-L1040 HydrophobicContact CB-CD2 4.3Å; L975-V1087 HydrophobicContact CD2-CG2 4.07Å
976I88.7Confident87.5Confident1 Ų142.1 Ų42.11%0.00523%0.226CC..Hα-helixtrans-64.4-45.8179.1-64.7163.6000110.3M972 R973 S974 I978 L979 D980 L983 F984 F996 L1040M972-I976 HydrophobicContact CE-CD1 3.84Å; M972-I976 HydrophobicContact CE-CG1 3.78Å; M972-I976 HydrophobicContact CG-CD1 4.18Å; M972-I976 WeakPolarHBondContact O-CG1 3.32Å; M972-I976 PolarHBondContact O-N 3.47Å; R973-I976 PolarHBondContact O-N 3.06Å; S974-I976 PolarHBondContact O-N 3.3Å; I976-I978 PolarHBondContact O-N 3.17Å; I976-I978 VanDerWaalsContact O-N 3.1Å; I976-L979 PolarHBondContact O-N 3.06Å; I976-D980 CarbonylContact O-C 3.55Å; I976-D980 WeakPolarHBondContact O-CA 3.46Å; I976-D980 PolarHBondContact O-N 2.93Å; I976-L983 HydrophobicContact CG2-CD2 4.39Å; I976-F984 HydrophobicContact CG2-CB 4.1Å; I976-F996 HydrophobicContact CD1-CD1 4.33Å; I976-F996 HydrophobicContact CD1-CE1 3.42Å; I976-F996 VanDerWaalsContact CD1-CE1 3.42Å; I976-F996 HydrophobicContact CD1-CZ 3.64Å; I976-L1040 HydrophobicContact CG1-CD1 3.64Å
977Q85.9Confident87.1Confident84 Ų8437.6 Ų37.639%0.39320%0.201SC..Hα-helixtrans-56.2-30.8178.1-168.4177.814.800113.8R973 S974 F984R973-Q977 VanDerWaalsContact O-CB 3.31Å; R973-Q977 WeakPolarHBondContact O-CB 3.27Å; R973-Q977 PolarHBondContact O-N 3.2Å; S974-Q977 PolarHBondContact O-N 3.41Å; Q977-F984 HydrophobicContact CB-CD2 3.56Å; Q977-F984 HydrophobicContact CB-CE2 3.65Å; Q977-F984 HydrophobicContact CB-CG 4.03Å; Q977-F984 HydrophobicContact CB-CZ 4.22Å; Q977-F984 HydrophobicContact CG-CD1 4.12Å; Q977-F984 HydrophobicContact CG-CD2 3.98Å; Q977-F984 HydrophobicContact CG-CE1 4.03Å; Q977-F984 HydrophobicContact CG-CE2 3.86Å; Q977-F984 HydrophobicContact CG-CG 4.1Å; Q977-F984 HydrophobicContact CG-CZ 3.89Å
978I83.6Confident86.6Confident44 Ų4440.1 Ų40.123%0.22621%0.208CC..Hα-helixtrans-95.3-31.1-173.9-62.5157.3000112.2V509 L513 S974 L975 I976V509-I978 HydrophobicContact CB-CD1 4.18Å; V509-I978 HydrophobicContact CG1-CD1 3.74Å; V509-I978 HydrophobicContact CG1-CG1 4.11Å; V509-I978 HydrophobicContact CG1-CG2 3.94Å; V509-I978 HydrophobicContact CG2-CD1 3.7Å; V509-I978 HydrophobicContact CG2-CG1 3.85Å; L513-I978 HydrophobicContact CD1-CD1 3.78Å; L513-I978 HydrophobicContact CD1-CG2 4Å; L513-I978 HydrophobicContact CD2-CD1 4.04Å; L513-I978 HydrophobicContact CG-CD1 3.93Å; S974-I978 WeakPolarHBondContact O-CB 3.41Å; S974-I978 WeakPolarHBondContact O-CD1 3.27Å; S974-I978 WeakPolarHBondContact O-CG1 3.44Å; S974-I978 PolarHBondContact O-N 3.37Å; S974-I978 VanDerWaalsContact O-N 3.08Å; L975-I978 PolarHBondContact O-N 3.15Å; I976-I978 PolarHBondContact O-N 3.17Å; I976-I978 VanDerWaalsContact O-N 3.1Å
979L86.8Confident86Confident44 Ų4446.4 Ų46.423%0.2324%0.237CC..Hα-helixtrans-101.1-30.7-174.3-62170.3000112.9L975 I976 L1040 L1083 V1087 L1090L975-L979 HydrophobicContact CD2-CD1 4.06Å; L975-L979 VanDerWaalsContact O-CB 3.3Å; L975-L979 WeakPolarHBondContact O-CB 3.36Å; L975-L979 WeakPolarHBondContact O-CG 3.25Å; L975-L979 PolarHBondContact O-N 2.9Å; I976-L979 PolarHBondContact O-N 3.06Å; L979-L1040 HydrophobicContact CD1-CD2 3.56Å; L979-L1083 HydrophobicContact CD1-CD2 4.31Å; L979-V1087 HydrophobicContact CD1-CG2 3.95Å; L979-V1087 HydrophobicContact CD2-CG2 4.27Å; L979-L1090 HydrophobicContact CD2-CD1 4.03Å
980D87.1Confident84.9Confident11 Ų1149 Ų496%0.05925%0.251CS..  trans-145.184.6177.3-172.2-1000111.8I976 E982 L983 F984 R1047I976-D980 CarbonylContact O-C 3.55Å; I976-D980 WeakPolarHBondContact O-CA 3.46Å; I976-D980 PolarHBondContact O-N 2.93Å; D980-E982 VanDerWaalsContact C-N 3.27Å; D980-E982 PolarHBondContact O-N 3.04Å; D980-E982 PolarHBondContact OD1-N 2.81Å; D980-L983 HydrophobicContact CB-CB 4.24Å; D980-L983 VanDerWaalsContact CG-CB 3.45Å; D980-L983 PolarHBondContact O-N 3.46Å; D980-L983 PolarHBondContact OD1-N 3.22Å; D980-L983 WeakPolarHBondContact OD2-CB 3.34Å; D980-F984 PolarHBondContact O-N 2.93Å; D980-F984 VanDerWaalsContact O-N 3.07Å; D980-R1047 IonicContact OD1-CZ 2.74Å; D980-R1047 IonicContact OD1-NE 3.34Å; D980-R1047 IonicContact OD1-NH2 3.89Å; D980-R1047 PolarHBondContact OD1-NH2 3.32Å; D980-R1047 IonicContact OD2-CZ 3.56Å; D980-R1047 IonicContact OD2-NE 3.48Å; D980-R1047 PolarHBondContact OD2-NE 2.9Å; D980-R1047 IonicContact OD2-NH2 3.47Å; D980-R1047 PolarHBondContact OD2-NH2 3.1Å
981S85.3Confident83.7Confident71 Ų7148.6 Ų48.650%0.49725%0.251SS..Hα-helixtrans-67-24.618060.10000113.8E985S981-E985 WeakPolarHBondContact O-CB 3.27Å; S981-E985 VanDerWaalsContact O-CG 3.31Å; S981-E985 WeakPolarHBondContact O-CG 3.49Å; S981-E985 PolarHBondContact O-N 2.79Å
982E89.6Confident82.2Confident110 Ų11053.8 Ų53.851%0.51428%0.279SS..Hα-helixtrans-71.7-45179.2177.9175.7-127.700110.5D980 E985 L986 R1047 L1051D980-E982 VanDerWaalsContact C-N 3.27Å; D980-E982 PolarHBondContact O-N 3.04Å; D980-E982 PolarHBondContact OD1-N 2.81Å; E982-E985 PolarHBondContact O-N 3.28Å; E982-L986 PolarHBondContact O-N 3.48Å; E982-R1047 IonicContact OE2-CZ 3.79Å; E982-R1047 IonicContact OE2-NH1 2.78Å; E982-R1047 PolarHBondContact OE2-NH1 2.84Å; E982-R1047 IonicContact OE2-NH2 2.7Å; E982-R1047 PolarHBondContact OE2-NH2 3.45Å; E982-L1051 HydrophobicContact CG-CD1 4.29Å; E982-L1051 HydrophobicContact CG-CD2 4.11Å
983L86.7Confident80.7Confident1 Ų154.6 Ų54.61%0.00528%0.282CS..Hα-helixtrans-66.6-37.6173.3-173.270.5000112.1I976 D980 E985 L986 M987 V1043 I1050 L1051I976-L983 HydrophobicContact CG2-CD2 4.39Å; D980-L983 HydrophobicContact CB-CB 4.24Å; D980-L983 VanDerWaalsContact CG-CB 3.45Å; D980-L983 PolarHBondContact O-N 3.46Å; D980-L983 PolarHBondContact OD1-N 3.22Å; D980-L983 WeakPolarHBondContact OD2-CB 3.34Å; L983-E985 VanDerWaalsContact C-N 3.33Å; L983-E985 PolarHBondContact O-N 2.79Å; L983-L986 PolarHBondContact O-N 3.2Å; L983-M987 HydrophobicContact CD1-CE 4.01Å; L983-M987 HydrophobicContact CD2-CE 3.98Å; L983-M987 HydrophobicContact CG-CE 3.84Å; L983-M987 HydrophobicContact CG-SD 4.37Å; L983-M987 WeakPolarHBondContact O-CB 3.5Å; L983-M987 WeakPolarHBondContact O-CG 3.49Å; L983-M987 PolarHBondContact O-N 3.35Å; L983-V1043 HydrophobicContact CD2-CG1 3.41Å; L983-V1043 VanDerWaalsContact CD2-CG1 3.41Å; L983-I1050 HydrophobicContact CD1-CB 4.39Å; L983-I1050 HydrophobicContact CD1-CG2 3.77Å; L983-L1051 HydrophobicContact CD1-CD2 4.12Å; L983-L1051 HydrophobicContact CD1-CG 4.37Å
984F86.4Confident79.2Confident35 Ų3555 Ų5515%0.15429%0.291CS..Hα-helixtrans-57.9-45.2171-176.7-93.3000111.8R973 I976 Q977 D980 M987 H988R973-F984 HydrophobicContact CG-CE2 3.9Å; I976-F984 HydrophobicContact CG2-CB 4.1Å; Q977-F984 HydrophobicContact CB-CD2 3.56Å; Q977-F984 HydrophobicContact CB-CE2 3.65Å; Q977-F984 HydrophobicContact CB-CG 4.03Å; Q977-F984 HydrophobicContact CB-CZ 4.22Å; Q977-F984 HydrophobicContact CG-CD1 4.12Å; Q977-F984 HydrophobicContact CG-CD2 3.98Å; Q977-F984 HydrophobicContact CG-CE1 4.03Å; Q977-F984 HydrophobicContact CG-CE2 3.86Å; Q977-F984 HydrophobicContact CG-CG 4.1Å; Q977-F984 HydrophobicContact CG-CZ 3.89Å; D980-F984 PolarHBondContact O-N 2.93Å; D980-F984 VanDerWaalsContact O-N 3.07Å; F984-M987 PolarHBondContact O-N 3.21Å; F984-H988 WeakPolarHBondContact O-CB 3.13Å; F984-H988 PolarHBondContact O-N 3.28Å
985E85.9Confident78.2Confident116 Ų11657.1 Ų57.154%0.54230%0.297SS..Hα-helixtrans-67.1-39.2179-79.5177.1-156.300112.5S981 E982 L983 H988 Q989S981-E985 WeakPolarHBondContact O-CB 3.27Å; S981-E985 VanDerWaalsContact O-CG 3.31Å; S981-E985 WeakPolarHBondContact O-CG 3.49Å; S981-E985 PolarHBondContact O-N 2.79Å; E982-E985 PolarHBondContact O-N 3.28Å; L983-E985 VanDerWaalsContact C-N 3.33Å; L983-E985 PolarHBondContact O-N 2.79Å; E985-H988 PolarHBondContact O-N 3.4Å; E985-Q989 WeakPolarHBondContact O-CB 3.47Å; E985-Q989 VanDerWaalsContact O-CG 3.25Å; E985-Q989 WeakPolarHBondContact O-CG 3.39Å; E985-Q989 PolarHBondContact O-N 3.14Å; E985-Q989 PolarHBondContact O-NE2 2.9Å
986L83.9Confident77.6Confident12 Ų1257.3 Ų57.36%0.06330%0.298CS..Hα-helixtrans-61.2-50.1172.7174.462.5000111.1E982 L983 H988 Q989 N990 I1050 L1051 N1054E982-L986 PolarHBondContact O-N 3.48Å; L983-L986 PolarHBondContact O-N 3.2Å; L986-H988 PolarHBondContact O-N 3.1Å; L986-Q989 PolarHBondContact O-N 3.44Å; L986-N990 WeakPolarHBondContact CD1-ND2 3.47Å; L986-N990 PolarHBondContact O-N 3.24Å; L986-I1050 HydrophobicContact CD2-CG2 4.12Å; L986-L1051 HydrophobicContact CB-CD2 4.18Å; L986-L1051 HydrophobicContact CD2-CD2 3.81Å; L986-N1054 HydrophobicContact CD1-CB 4.5Å; L986-N1054 WeakPolarHBondContact CD1-OD1 3.35Å
987M79.4Confident77.3Confident5 Ų563.1 Ų63.13%0.02532%0.321CS..Hα-helixtrans-60.7-33.9178.7-72179.1179.200112L983 F984 Y993 F996 F998 V1043 I1060L983-M987 HydrophobicContact CD1-CE 4.01Å; L983-M987 HydrophobicContact CD2-CE 3.98Å; L983-M987 HydrophobicContact CG-CE 3.84Å; L983-M987 HydrophobicContact CG-SD 4.37Å; L983-M987 WeakPolarHBondContact O-CB 3.5Å; L983-M987 WeakPolarHBondContact O-CG 3.49Å; L983-M987 PolarHBondContact O-N 3.35Å; F984-M987 PolarHBondContact O-N 3.21Å; M987-Y993 HydrophobicContact CB-CD1 3.74Å; M987-Y993 HydrophobicContact CB-CE1 4.25Å; M987-Y993 HydrophobicContact CB-CG 4.41Å; M987-Y993 HydrophobicContact CG-CD1 4.07Å; M987-Y993 HydrophobicContact CG-CE1 4.35Å; M987-Y993 WeakPolarHBondContact O-CB 3.39Å; M987-Y993 VanDerWaalsContact O-CD1 3.25Å; M987-Y993 WeakPolarHBondContact O-CD1 3.05Å; M987-Y993 VanDerWaalsContact O-CD2 3.23Å; M987-Y993 WeakPolarHBondContact O-CD2 3.13Å; M987-F996 HydrophobicContact SD-CE1 3.63Å; M987-F996 HydrophobicContact SD-CZ 4.06Å; M987-F998 HydrophobicContact CE-CZ 4.23Å; M987-V1043 HydrophobicContact CE-CG1 4.25Å; M987-I1060 HydrophobicContact CE-CD1 4.3Å
988H78.8Confident77.3Confident131 Ų13160 Ų6061%0.60631%0.306SS*.Hα-helixtrans-78-31.6178-166.533.7000113.7F984 E985 L986F984-H988 WeakPolarHBondContact O-CB 3.13Å; F984-H988 PolarHBondContact O-N 3.28Å; E985-H988 PolarHBondContact O-N 3.4Å; L986-H988 PolarHBondContact O-N 3.1Å
989Q78.3Confident77.6Confident146 Ų14657.9 Ų57.968%0.68230%0.295SS*.Hα-helixtrans-68.3-36.2-179.9-81.1168.983.100113.2E985 L986 G991E985-Q989 WeakPolarHBondContact O-CB 3.47Å; E985-Q989 VanDerWaalsContact O-CG 3.25Å; E985-Q989 WeakPolarHBondContact O-CG 3.39Å; E985-Q989 PolarHBondContact O-N 3.14Å; E985-Q989 PolarHBondContact O-NE2 2.9Å; L986-Q989 PolarHBondContact O-N 3.44Å; Q989-G991 VanDerWaalsContact C-N 3.35Å; Q989-G991 PolarHBondContact O-N 3.26Å
990N66.9Low77.9Confident59 Ų5959.6 Ų59.632%0.31630%0.299SS..THydrogen-bonded Turntrans-86.34.2-171.6-71.8-16.2000114.3L986 Y993 N1054 M1055L986-N990 WeakPolarHBondContact CD1-ND2 3.47Å; L986-N990 PolarHBondContact O-N 3.24Å; N990-Y993 VanDerWaalsContact C-CE2 3.44Å; N990-Y993 HydrophobicContact CB-CE2 4.06Å; N990-Y993 WeakPolarHBondContact CB-OH 3.36Å; N990-Y993 WeakPolarHBondContact O-CE2 3.43Å; N990-N1054 PolarHBondContact ND2-ND2 3.14Å; N990-M1055 PolarHBondContact ND2-O 2.83Å
991G61.4Low78.2Confident39 Ų3962.9 Ų62.940%0.40231%0.311SS..SBendtrans144.8-157.4172.300000115.6Q989 Y993Q989-G991 VanDerWaalsContact C-N 3.35Å; Q989-G991 PolarHBondContact O-N 3.26Å; G991-Y993 VanDerWaalsContact C-CD2 3.49Å; G991-Y993 VanDerWaalsContact C-N 3.35Å; G991-Y993 PolarHBondContact O-N 3.03Å
992D58.4Low78.7Confident134 Ų13459.6 Ų59.672%0.71729%0.287SS*.  trans-84.967.8-174.8-157.3-11.1000112.7T994D992-T994 PolarHBondContact O-N 3.04Å; D992-T994 PolarHBondContact O-OG1 3.49Å; D992-T994 WeakPolarHBondContact OD1-CB 3.3Å; D992-T994 WeakPolarHBondContact OD1-CG2 3.46Å; D992-T994 PolarHBondContact OD1-OG1 2.99Å
993Y58.3Low79Confident18 Ų1854.3 Ų54.37%0.07126%0.263CS..  trans-83.734.2-173.7-68.9-143.5000110.5R973 M987 N990 G991 H995 D1056 F1057R973-Y993 VanDerWaalsContact CZ-O 3.31Å; R973-Y993 PolarHBondContact NH1-O 2.8Å; R973-Y993 PolarHBondContact NH2-O 3.21Å; M987-Y993 HydrophobicContact CB-CD1 3.74Å; M987-Y993 HydrophobicContact CB-CE1 4.25Å; M987-Y993 HydrophobicContact CB-CG 4.41Å; M987-Y993 HydrophobicContact CG-CD1 4.07Å; M987-Y993 HydrophobicContact CG-CE1 4.35Å; M987-Y993 WeakPolarHBondContact O-CB 3.39Å; M987-Y993 VanDerWaalsContact O-CD1 3.25Å; M987-Y993 WeakPolarHBondContact O-CD1 3.05Å; M987-Y993 VanDerWaalsContact O-CD2 3.23Å; M987-Y993 WeakPolarHBondContact O-CD2 3.13Å; N990-Y993 VanDerWaalsContact C-CE2 3.44Å; N990-Y993 HydrophobicContact CB-CE2 4.06Å; N990-Y993 WeakPolarHBondContact CB-OH 3.36Å; N990-Y993 WeakPolarHBondContact O-CE2 3.43Å; G991-Y993 VanDerWaalsContact C-CD2 3.49Å; G991-Y993 VanDerWaalsContact C-N 3.35Å; G991-Y993 PolarHBondContact O-N 3.03Å; Y993-H995 PolarHBondContact O-N 3.5Å; Y993-D1056 VanDerWaalsContact OH-CA 3.28Å; Y993-D1056 WeakPolarHBondContact OH-CA 3.2Å; Y993-F1057 HydrophobicContact CD1-CB 4.35Å; Y993-F1057 HydrophobicContact CD1-CD2 4.43Å; Y993-F1057 HydrophobicContact CE1-CB 3.72Å; Y993-F1057 HydrophobicContact CE2-CB 3.9Å; Y993-F1057 PolarHBondContact OH-N 3.05Å
994T56.2Low79.4Confident62 Ų6255.2 Ų55.238%0.3827%0.268SS..THydrogen-bonded Turntrans-69-10.8-174.738.20000114.2R973 D992R973-T994 PolarHBondContact NH2-O 3.42Å; D992-T994 PolarHBondContact O-N 3.04Å; D992-T994 PolarHBondContact O-OG1 3.49Å; D992-T994 WeakPolarHBondContact OD1-CB 3.3Å; D992-T994 WeakPolarHBondContact OD1-CG2 3.46Å; D992-T994 PolarHBondContact OD1-OG1 2.99Å
995H64.4Low79.9Confident76 Ų7654 Ų5435%0.35226%0.262SS..THydrogen-bonded Turntrans-130.91.7-172.4-62.8-77.9000117.8F969 Y993 Y997F969-H995 VanDerWaalsContact CD1-O 3.29Å; F969-H995 WeakPolarHBondContact CD1-O 3.47Å; F969-H995 WeakPolarHBondContact CD2-O 3.4Å; F969-H995 WeakPolarHBondContact CG-O 3.27Å; Y993-H995 PolarHBondContact O-N 3.5Å; H995-Y997 HydrophobicContact CB-CD1 4.13Å; H995-Y997 HydrophobicContact CB-CD2 3.76Å; H995-Y997 HydrophobicContact CB-CE1 3.74Å; H995-Y997 HydrophobicContact CB-CE2 3.35Å; H995-Y997 HydrophobicContact CB-CG 4.14Å; H995-Y997 AromaticContact CG-CE2 3.94Å; H995-Y997 AromaticContact CG-CZ 3.72Å; H995-Y997 PolarHBondContact O-N 3.01Å
996F77.4Confident80.4Confident5 Ų548.4 Ų48.42%0.02224%0.236CC..  trans49.527.7172.5-79.7-78.2000116.6F969 M972 R973 I976 M987 F998 C999F969-F996 HydrophobicContact CB-CB 4.42Å; F969-F996 HydrophobicContact CD1-CB 3.69Å; F969-F996 HydrophobicContact CE1-CB 4.34Å; F969-F996 HydrophobicContact CG-CB 4.32Å; M972-F996 HydrophobicContact CG-CD1 4.36Å; M972-F996 HydrophobicContact CG-CG 4.37Å; R973-F996 VanDerWaalsContact CA-CE2 3.48Å; R973-F996 HydrophobicContact CB-CD2 4.22Å; R973-F996 HydrophobicContact CB-CE2 3.69Å; R973-F996 HydrophobicContact CG-CE2 4.22Å; I976-F996 HydrophobicContact CD1-CD1 4.33Å; I976-F996 HydrophobicContact CD1-CE1 3.42Å; I976-F996 VanDerWaalsContact CD1-CE1 3.42Å; I976-F996 HydrophobicContact CD1-CZ 3.64Å; M987-F996 HydrophobicContact SD-CE1 3.63Å; M987-F996 HydrophobicContact SD-CZ 4.06Å; F996-F998 AromaticContact CD1-CE1 3.66Å; F996-F998 HydrophobicContact CD1-CE1 3.66Å; F996-F998 AromaticContact CD1-CZ 3.77Å; F996-F998 HydrophobicContact CD1-CZ 3.77Å; F996-F998 HydrophobicContact CE1-CE1 4.22Å; F996-F998 HydrophobicContact CE1-CZ 4.21Å; F996-F998 PolarHBondContact O-N 2.88Å; F996-C999 WeakPolarHBondContact O-CB 3.32Å; F996-C999 PolarHBondContact O-N 3.31Å
997Y82.4Confident81Confident122 Ų12247.9 Ų47.948%0.47823%0.234SC..G310 helixtrans-58.8-16.3-167.9-65.2-60.6000116.1F969 H995 C999 Y1000 F1057F969-Y997 HydrophobicContact CE2-CD1 4.12Å; F969-Y997 HydrophobicContact CE2-CE1 4.36Å; F969-Y997 HydrophobicContact CZ-CD1 4.38Å; H995-Y997 HydrophobicContact CB-CD1 4.13Å; H995-Y997 HydrophobicContact CB-CD2 3.76Å; H995-Y997 HydrophobicContact CB-CE1 3.74Å; H995-Y997 HydrophobicContact CB-CE2 3.35Å; H995-Y997 HydrophobicContact CB-CG 4.14Å; H995-Y997 AromaticContact CG-CE2 3.94Å; H995-Y997 AromaticContact CG-CZ 3.72Å; H995-Y997 PolarHBondContact O-N 3.01Å; Y997-C999 PolarHBondContact O-N 3.49Å; Y997-Y1000 WeakPolarHBondContact O-CB 3.22Å; Y997-Y1000 PolarHBondContact O-N 3.27Å; Y997-F1057 HydrophobicContact CD2-CZ 4.41Å
998F85.7Confident81.9Confident18 Ų1847.8 Ų47.88%0.07923%0.233CC..G310 helixtrans-59.6-30.5170.666.7-97.8000112.4M987 F996 Y1000 W1002 V1043 F1057 I1060 I1061M987-F998 HydrophobicContact CE-CZ 4.23Å; F996-F998 AromaticContact CD1-CE1 3.66Å; F996-F998 HydrophobicContact CD1-CE1 3.66Å; F996-F998 AromaticContact CD1-CZ 3.77Å; F996-F998 HydrophobicContact CD1-CZ 3.77Å; F996-F998 HydrophobicContact CE1-CE1 4.22Å; F996-F998 HydrophobicContact CE1-CZ 4.21Å; F996-F998 PolarHBondContact O-N 2.88Å; F998-Y1000 VanDerWaalsContact C-N 3.31Å; F998-Y1000 PolarHBondContact O-N 3.13Å; F998-W1002 HydrophobicContact CD2-CH2 4.08Å; F998-W1002 HydrophobicContact CD2-CZ2 4.4Å; F998-W1002 HydrophobicContact CD2-CZ3 4.4Å; F998-W1002 HydrophobicContact CE2-CH2 4.13Å; F998-W1002 HydrophobicContact CE2-CZ3 4.26Å; F998-V1043 HydrophobicContact CE2-CG2 3.84Å; F998-V1043 HydrophobicContact CZ-CG2 4.23Å; F998-F1057 HydrophobicContact CD1-CD2 4.47Å; F998-F1057 HydrophobicContact CD1-CE2 4.4Å; F998-I1060 HydrophobicContact CD1-CG2 3.97Å; F998-I1060 HydrophobicContact CD2-CG2 4.11Å; F998-I1060 HydrophobicContact CE1-CG2 4.1Å; F998-I1060 HydrophobicContact CE2-CG2 4.23Å; F998-I1060 HydrophobicContact CG-CG2 3.98Å; F998-I1060 HydrophobicContact CZ-CG2 4.23Å; F998-I1061 HydrophobicContact CB-CD1 4.41Å; F998-I1061 HydrophobicContact CB-CG1 3.55Å
999C91.5Very high82.7Confident1 Ų144.7 Ų44.71%0.00722%0.216CC..G310 helixtrans-78.6-4.7172.8-63.30000114.1F969 F996 Y997 R1001 W1002 F1003F969-C999 HydrophobicContact CE1-CB 4.16Å; F996-C999 WeakPolarHBondContact O-CB 3.32Å; F996-C999 PolarHBondContact O-N 3.31Å; Y997-C999 PolarHBondContact O-N 3.49Å; C999-R1001 PolarHBondContact O-N 3.34Å; C999-W1002 HydrophobicContact CB-CD2 4.42Å; C999-W1002 HydrophobicContact CB-CE3 4.01Å; C999-W1002 VanDerWaalsContact O-CB 3.31Å; C999-W1002 WeakPolarHBondContact O-CB 3.35Å; C999-W1002 PolarHBondContact O-N 3.04Å; C999-W1002 VanDerWaalsContact O-N 3.13Å; C999-W1002 VanDerWaalsContact SG-CE3 3.51Å; C999-W1002 VanDerWaalsContact SG-CZ3 3.56Å; C999-F1003 HydrophobicContact CB-CD2 4.01Å; C999-F1003 HydrophobicContact CB-CE2 3.5Å; C999-F1003 VanDerWaalsContact CB-CE2 3.5Å; C999-F1003 HydrophobicContact CB-CZ 3.91Å; C999-F1003 WeakPolarHBondContact O-CD2 3.5Å; C999-F1003 PolarHBondContact O-N 3.15Å; C999-F1003 VanDerWaalsContact O-N 3.09Å
1000Y92Very high83.5Confident80 Ų8037.7 Ų37.731%0.31418%0.183SC..Hα-helixtrans-60.5-46.5-173.7-176.9-90.3000112.1M965 F969 Y997 F998 W1002 L1004M965-Y1000 HydrophobicContact CE-CD2 4.12Å; M965-Y1000 HydrophobicContact CE-CE2 4.09Å; M965-Y1000 HydrophobicContact CE-CG 4.49Å; M965-Y1000 WeakPolarHBondContact CE-O 3.28Å; M965-Y1000 HydrophobicContact CG-CD2 4.27Å; M965-Y1000 HydrophobicContact CG-CE2 3.93Å; M965-Y1000 HydrophobicContact SD-CD2 4Å; M965-Y1000 HydrophobicContact SD-CE2 4.19Å; F969-Y1000 HydrophobicContact CE2-CD2 4.15Å; F969-Y1000 AromaticContact CZ-CD2 3.85Å; F969-Y1000 HydrophobicContact CZ-CD2 3.85Å; F969-Y1000 HydrophobicContact CZ-CG 4.4Å; Y997-Y1000 WeakPolarHBondContact O-CB 3.22Å; Y997-Y1000 PolarHBondContact O-N 3.27Å; F998-Y1000 VanDerWaalsContact C-N 3.31Å; F998-Y1000 PolarHBondContact O-N 3.13Å; Y1000-W1002 VanDerWaalsContact C-N 3.27Å; Y1000-W1002 PolarHBondContact O-N 3.17Å; Y1000-L1004 HydrophobicContact CE1-CD2 3.94Å; Y1000-L1004 VanDerWaalsContact O-CB 3.24Å; Y1000-L1004 WeakPolarHBondContact O-CB 3.41Å; Y1000-L1004 PolarHBondContact O-N 2.69Å
1001R93.9Very high85Confident79 Ų7935.1 Ų35.130%0.29817%0.169SC..Hα-helixtrans-64-34.3176.9-170.7173.569.5-150.1-2.9112C999 L1005 R1009 E1010 N1065C999-R1001 PolarHBondContact O-N 3.34Å; R1001-L1005 HydrophobicContact CG-CD1 3.92Å; R1001-L1005 PolarHBondContact O-N 2.96Å; R1001-R1009 HydrophobicContact CG-CB 4.08Å; R1001-R1009 HydrophobicContact CG-CG 4.45Å; R1001-E1010 IonicContact CZ-OE1 3.71Å; R1001-E1010 IonicContact CZ-OE2 3.56Å; R1001-E1010 IonicContact NE-OE1 3.34Å; R1001-E1010 PolarHBondContact NE-OE1 2.86Å; R1001-E1010 IonicContact NE-OE2 2.67Å; R1001-E1010 IonicContact NH2-OE1 2.73Å; R1001-E1010 PolarHBondContact NH2-OE1 3.46Å; R1001-E1010 IonicContact NH2-OE2 3.42Å; R1001-E1010 PolarHBondContact NH2-OE2 3.01Å; R1001-N1065 VanDerWaalsContact CZ-OD1 3.31Å; R1001-N1065 PolarHBondContact NH1-OD1 3.15Å; R1001-N1065 PolarHBondContact NH2-OD1 3.12Å
1002W96.1Very high86.6Confident2 Ų235.9 Ų35.91%0.00817%0.166CC..Hα-helixtrans-64-52.1-179-57.7-3.1000111.3F998 C999 Y1000 D1006 F1007 E1010 A1039 L1042 V1043 F1064F998-W1002 HydrophobicContact CD2-CH2 4.08Å; F998-W1002 HydrophobicContact CD2-CZ2 4.4Å; F998-W1002 HydrophobicContact CD2-CZ3 4.4Å; F998-W1002 HydrophobicContact CE2-CH2 4.13Å; F998-W1002 HydrophobicContact CE2-CZ3 4.26Å; C999-W1002 HydrophobicContact CB-CD2 4.42Å; C999-W1002 HydrophobicContact CB-CE3 4.01Å; C999-W1002 VanDerWaalsContact O-CB 3.31Å; C999-W1002 WeakPolarHBondContact O-CB 3.35Å; C999-W1002 PolarHBondContact O-N 3.04Å; C999-W1002 VanDerWaalsContact O-N 3.13Å; C999-W1002 VanDerWaalsContact SG-CE3 3.51Å; C999-W1002 VanDerWaalsContact SG-CZ3 3.56Å; Y1000-W1002 VanDerWaalsContact C-N 3.27Å; Y1000-W1002 PolarHBondContact O-N 3.17Å; W1002-D1006 WeakPolarHBondContact O-CA 3.32Å; W1002-D1006 PolarHBondContact O-N 2.99Å; W1002-D1006 VanDerWaalsContact O-N 3.12Å; W1002-F1007 HydrophobicContact CB-CD1 3.72Å; W1002-F1007 HydrophobicContact CB-CE1 3.58Å; W1002-F1007 HydrophobicContact CB-CG 4.48Å; W1002-F1007 HydrophobicContact CB-CZ 4.22Å; W1002-F1007 HydrophobicContact CD2-CD1 4.32Å; W1002-F1007 HydrophobicContact CD2-CE1 4.03Å; W1002-F1007 AromaticContact CE3-CE1 3.9Å; W1002-F1007 HydrophobicContact CE3-CE1 3.9Å; W1002-F1007 AromaticContact CG-CD1 3.97Å; W1002-F1007 HydrophobicContact CG-CD1 3.97Å; W1002-F1007 AromaticContact CG-CE1 3.96Å; W1002-F1007 HydrophobicContact CG-CE1 3.96Å; W1002-F1007 PolarHBondContact O-N 3.01Å; W1002-E1010 HydrophobicContact CG-CG 4.21Å; W1002-E1010 PolarHBondContact NE1-OE2 2.77Å; W1002-A1039 HydrophobicContact CE3-CB 3.8Å; W1002-A1039 HydrophobicContact CZ3-CB 4.07Å; W1002-L1042 HydrophobicContact CE3-CD1 4.26Å; W1002-L1042 HydrophobicContact CH2-CB 4.08Å; W1002-L1042 HydrophobicContact CH2-CD1 4.32Å; W1002-L1042 HydrophobicContact CZ3-CB 4.09Å; W1002-L1042 HydrophobicContact CZ3-CD1 4.16Å; W1002-V1043 HydrophobicContact CH2-CG2 4.29Å; W1002-V1043 HydrophobicContact CZ3-CG2 4.25Å; W1002-F1064 AromaticContact CH2-CD1 3.84Å; W1002-F1064 HydrophobicContact CH2-CD1 3.84Å; W1002-F1064 HydrophobicContact CH2-CD2 4.17Å; W1002-F1064 AromaticContact CH2-CE1 3.82Å; W1002-F1064 HydrophobicContact CH2-CE1 3.82Å; W1002-F1064 HydrophobicContact CH2-CE2 4.17Å; W1002-F1064 HydrophobicContact CH2-CG 4.03Å; W1002-F1064 HydrophobicContact CH2-CZ 4.01Å; W1002-F1064 HydrophobicContact CZ2-CB 3.96Å; W1002-F1064 AromaticContact CZ2-CD1 3.55Å; W1002-F1064 HydrophobicContact CZ2-CD1 3.55Å; W1002-F1064 HydrophobicContact CZ2-CD2 4.12Å; W1002-F1064 HydrophobicContact CZ2-CE1 4.02Å; W1002-F1064 AromaticContact CZ2-CG 3.61Å; W1002-F1064 HydrophobicContact CZ2-CG 3.61Å
1003F95.4Very high88.4Confident0 Ų030.2 Ų30.20%014%0.135CC..Hα-helixtrans-72.8-30.4179.3-57.5-40.4000112.7N958 M965 H968 F969 M972 C999 L1005 V1035 L1036 A1039N958-F1003 PolarHBondContact ND2-O 3.08Å; M965-F1003 HydrophobicContact CE-CB 3.83Å; M965-F1003 HydrophobicContact SD-CB 3.89Å; M965-F1003 HydrophobicContact SD-CD2 4.37Å; H968-F1003 HydrophobicContact CB-CD2 3.84Å; H968-F1003 HydrophobicContact CB-CE2 3.95Å; H968-F1003 HydrophobicContact CB-CG 4.39Å; F969-F1003 HydrophobicContact CD1-CD2 4.33Å; F969-F1003 HydrophobicContact CD1-CE2 4.03Å; F969-F1003 AromaticContact CE1-CD2 3.86Å; F969-F1003 HydrophobicContact CE1-CD2 3.86Å; F969-F1003 AromaticContact CE1-CE2 3.91Å; F969-F1003 HydrophobicContact CE1-CE2 3.91Å; M972-F1003 HydrophobicContact SD-CZ 4.19Å; C999-F1003 HydrophobicContact CB-CD2 4.01Å; C999-F1003 HydrophobicContact CB-CE2 3.5Å; C999-F1003 VanDerWaalsContact CB-CE2 3.5Å; C999-F1003 HydrophobicContact CB-CZ 3.91Å; C999-F1003 WeakPolarHBondContact O-CD2 3.5Å; C999-F1003 PolarHBondContact O-N 3.15Å; C999-F1003 VanDerWaalsContact O-N 3.09Å; F1003-L1005 VanDerWaalsContact C-N 3.32Å; F1003-L1005 PolarHBondContact O-N 3.1Å; F1003-V1035 HydrophobicContact CD1-CB 4.35Å; F1003-V1035 HydrophobicContact CD1-CG2 4.28Å; F1003-L1036 HydrophobicContact CE1-CD2 3.86Å; F1003-L1036 HydrophobicContact CE2-CD2 4.34Å; F1003-L1036 HydrophobicContact CZ-CD2 3.7Å; F1003-A1039 HydrophobicContact CE1-CB 3.58Å; F1003-A1039 HydrophobicContact CZ-CB 3.72Å
1004L95.3Very high90.2Very high20 Ų2034.1 Ų34.111%0.10516%0.157CC..Hα-helixtrans-67.3-35.8-179.9-173.868.6000111.8M955 N958 F959 M965 Y1000M955-L1004 WeakPolarHBondContact CE-O 3.47Å; N958-L1004 WeakPolarHBondContact O-CD1 3.4Å; F959-L1004 HydrophobicContact CD1-CD1 3.62Å; F959-L1004 HydrophobicContact CE1-CD1 3.76Å; F959-L1004 HydrophobicContact CE1-CG 4.28Å; F959-L1004 HydrophobicContact CG-CD1 4.13Å; F959-L1004 HydrophobicContact CZ-CD1 4.35Å; M965-L1004 HydrophobicContact CE-CB 3.66Å; M965-L1004 HydrophobicContact CE-CD1 4.12Å; M965-L1004 VanDerWaalsContact CE-N 3.34Å; Y1000-L1004 HydrophobicContact CE1-CD2 3.94Å; Y1000-L1004 VanDerWaalsContact O-CB 3.24Å; Y1000-L1004 WeakPolarHBondContact O-CB 3.41Å; Y1000-L1004 PolarHBondContact O-N 2.69Å
1005L96.2Very high92.1Very high8 Ų833.2 Ų33.24%0.04215%0.15CC..THydrogen-bonded Turntrans-121.815.3-167.5-51.6177.4000113.7D929 R1001 F1003 F1007 K1008 R1009D929-L1005 HydrophobicContact CB-CD2 4.32Å; R1001-L1005 HydrophobicContact CG-CD1 3.92Å; R1001-L1005 PolarHBondContact O-N 2.96Å; F1003-L1005 VanDerWaalsContact C-N 3.32Å; F1003-L1005 PolarHBondContact O-N 3.1Å; L1005-F1007 VanDerWaalsContact C-N 3.28Å; L1005-F1007 PolarHBondContact O-N 3Å; L1005-K1008 HydrophobicContact CB-CB 4.18Å; L1005-K1008 WeakPolarHBondContact O-CB 3.22Å; L1005-K1008 PolarHBondContact O-N 3.31Å; L1005-R1009 HydrophobicContact CD1-CB 4.34Å; L1005-R1009 HydrophobicContact CD1-CG 3.46Å; L1005-R1009 VanDerWaalsContact CD1-CG 3.46Å
1006D96.3Very high93.8Very high0 Ų029.6 Ų29.60%013%0.133CC..THydrogen-bonded Turntrans41.455-170.2-73-37.9000112.1R954 M955 W1002 K1008 W1020 I1023R954-D1006 IonicContact CZ-OD1 3.63Å; R954-D1006 IonicContact CZ-OD2 2.81Å; R954-D1006 VanDerWaalsContact NH1-CG 3.31Å; R954-D1006 IonicContact NH1-OD1 3.33Å; R954-D1006 PolarHBondContact NH1-OD1 2.88Å; R954-D1006 IonicContact NH1-OD2 3.08Å; R954-D1006 PolarHBondContact NH1-OD2 3.18Å; R954-D1006 IonicContact NH2-OD2 3.44Å; R954-D1006 PolarHBondContact NH2-OD2 3.33Å; M955-D1006 HydrophobicContact CE-CB 4.37Å; M955-D1006 WeakPolarHBondContact CE-OD2 3.1Å; M955-D1006 VanDerWaalsContact SD-OD2 3.32Å; W1002-D1006 WeakPolarHBondContact O-CA 3.32Å; W1002-D1006 PolarHBondContact O-N 2.99Å; W1002-D1006 VanDerWaalsContact O-N 3.12Å; D1006-K1008 PolarHBondContact O-N 3.47Å; D1006-W1020 HydrophobicContact CB-CZ2 4.35Å; D1006-W1020 VanDerWaalsContact CB-NE1 3.31Å; D1006-W1020 PolarHBondContact O-NE1 2.92Å; D1006-I1023 HydrophobicContact CB-CD1 4.32Å
1007F97.8Very high94.7Very high1 Ų129.7 Ų29.70%0.00413%0.133CC..THydrogen-bonded Turntrans60.88.6179-50.3-92.7000116.5W1002 L1005 R1009 E1010 L1011 V1019 V1035 I1038 A1039 L1042W1002-F1007 HydrophobicContact CB-CD1 3.72Å; W1002-F1007 HydrophobicContact CB-CE1 3.58Å; W1002-F1007 HydrophobicContact CB-CG 4.48Å; W1002-F1007 HydrophobicContact CB-CZ 4.22Å; W1002-F1007 HydrophobicContact CD2-CD1 4.32Å; W1002-F1007 HydrophobicContact CD2-CE1 4.03Å; W1002-F1007 AromaticContact CE3-CE1 3.9Å; W1002-F1007 HydrophobicContact CE3-CE1 3.9Å; W1002-F1007 AromaticContact CG-CD1 3.97Å; W1002-F1007 HydrophobicContact CG-CD1 3.97Å; W1002-F1007 AromaticContact CG-CE1 3.96Å; W1002-F1007 HydrophobicContact CG-CE1 3.96Å; W1002-F1007 PolarHBondContact O-N 3.01Å; L1005-F1007 VanDerWaalsContact C-N 3.28Å; L1005-F1007 PolarHBondContact O-N 3Å; F1007-R1009 PolarHBondContact O-N 3.09Å; F1007-E1010 HydrophobicContact CB-CG 4.33Å; F1007-E1010 HydrophobicContact CD1-CG 4.41Å; F1007-E1010 PolarHBondContact O-N 2.97Å; F1007-L1011 HydrophobicContact CB-CD1 3.64Å; F1007-L1011 HydrophobicContact CB-CG 4.12Å; F1007-L1011 WeakPolarHBondContact O-CG 3.33Å; F1007-V1019 HydrophobicContact CD2-CG1 4.29Å; F1007-V1035 HydrophobicContact CE2-CB 4.2Å; F1007-V1035 HydrophobicContact CE2-CG1 4.39Å; F1007-V1035 WeakPolarHBondContact CZ-O 3.33Å; F1007-I1038 HydrophobicContact CD1-CG2 4.28Å; F1007-I1038 HydrophobicContact CD2-CG2 4.1Å; F1007-I1038 HydrophobicContact CE1-CB 4.48Å; F1007-I1038 HydrophobicContact CE1-CG2 3.85Å; F1007-I1038 HydrophobicContact CE2-CB 3.87Å; F1007-I1038 HydrophobicContact CE2-CD1 4.4Å; F1007-I1038 HydrophobicContact CE2-CG2 3.67Å; F1007-I1038 HydrophobicContact CG-CG2 4.41Å; F1007-I1038 HydrophobicContact CZ-CB 3.75Å; F1007-I1038 HydrophobicContact CZ-CG2 3.54Å; F1007-A1039 HydrophobicContact CE1-CB 4.3Å; F1007-A1039 HydrophobicContact CZ-CB 4.12Å; F1007-L1042 HydrophobicContact CD1-CD1 3.67Å; F1007-L1042 HydrophobicContact CE1-CD1 3.56Å
1008K96.8Very high95.4Very high3 Ų325 Ų251%0.01312%0.12CC..THydrogen-bonded Turntrans-54.6-18.7-178.5174.762-165.584.50116.1D893 D929 P933 L1005 D1006 V1016 W1020D893-K1008 WeakPolarHBondContact OD2-CE 3.4Å; D893-K1008 IonicContact OD2-NZ 2.7Å; D893-K1008 PolarHBondContact OD2-NZ 3.02Å; D929-K1008 HydrophobicContact CB-CG 4.16Å; P933-K1008 HydrophobicContact CG-CD 3.67Å; L1005-K1008 HydrophobicContact CB-CB 4.18Å; L1005-K1008 WeakPolarHBondContact O-CB 3.22Å; L1005-K1008 PolarHBondContact O-N 3.31Å; D1006-K1008 PolarHBondContact O-N 3.47Å; K1008-V1016 HydrophobicContact CD-CG1 3.95Å; K1008-V1016 HydrophobicContact CD-CG2 4.02Å; K1008-W1020 HydrophobicContact CB-CZ2 4.43Å
1009R95.8Very high96Very high65 Ų6524.1 Ų24.125%0.24512%0.116CC..THydrogen-bonded Turntrans-105.21.5179.9-66.9-70.1167.5-138.57.5114.2D893 D929 R1001 L1005 F1007D893-R1009 IonicContact OD1-CZ 3.39Å; D893-R1009 IonicContact OD1-NH1 3.34Å; D893-R1009 PolarHBondContact OD1-NH1 3.27Å; D893-R1009 IonicContact OD1-NH2 2.78Å; D893-R1009 PolarHBondContact OD1-NH2 2.79Å; D893-R1009 IonicContact OD2-NH1 2.79Å; D893-R1009 PolarHBondContact OD2-NH1 2.88Å; D929-R1009 IonicContact OD1-CZ 2.72Å; D929-R1009 IonicContact OD1-NE 3.18Å; D929-R1009 IonicContact OD1-NH2 2.74Å; D929-R1009 PolarHBondContact OD1-NH2 2.8Å; D929-R1009 IonicContact OD2-CZ 3.18Å; D929-R1009 IonicContact OD2-NE 3.72Å; D929-R1009 PolarHBondContact OD2-NE 3.26Å; D929-R1009 IonicContact OD2-NH2 3.91Å; D929-R1009 PolarHBondContact OD2-NH2 2.94Å; D929-R1009 VanDerWaalsContact OD2-NH2 3.17Å; R1001-R1009 HydrophobicContact CG-CB 4.08Å; R1001-R1009 HydrophobicContact CG-CG 4.45Å; L1005-R1009 HydrophobicContact CD1-CB 4.34Å; L1005-R1009 HydrophobicContact CD1-CG 3.46Å; L1005-R1009 VanDerWaalsContact CD1-CG 3.46Å; F1007-R1009 PolarHBondContact O-N 3.09Å
1010E95.9Very high96.3Very high0 Ų024.1 Ų24.10%012%0.116CC..THydrogen-bonded Turntrans-109.6-6.4175.6-27.3-53.4124.100112R1001 W1002 F1007 E1069R1001-E1010 IonicContact CZ-OE1 3.71Å; R1001-E1010 IonicContact CZ-OE2 3.56Å; R1001-E1010 IonicContact NE-OE1 3.34Å; R1001-E1010 PolarHBondContact NE-OE1 2.86Å; R1001-E1010 IonicContact NE-OE2 2.67Å; R1001-E1010 IonicContact NH2-OE1 2.73Å; R1001-E1010 PolarHBondContact NH2-OE1 3.46Å; R1001-E1010 IonicContact NH2-OE2 3.42Å; R1001-E1010 PolarHBondContact NH2-OE2 3.01Å; W1002-E1010 HydrophobicContact CG-CG 4.21Å; W1002-E1010 PolarHBondContact NE1-OE2 2.77Å; F1007-E1010 HydrophobicContact CB-CG 4.33Å; F1007-E1010 HydrophobicContact CD1-CG 4.41Å; F1007-E1010 PolarHBondContact O-N 2.97Å; E1010-E1069 PolarHBondContact O-N 2.96Å
1011L97.1Very high96.6Very high4 Ų420.3 Ų20.32%0.02110%0.101CC..SBendtrans-138.7144.6-161.8-57.6-178.9000112.7F1007 D1015 V1016 V1019 H1071 I1073F1007-L1011 HydrophobicContact CB-CD1 3.64Å; F1007-L1011 HydrophobicContact CB-CG 4.12Å; F1007-L1011 WeakPolarHBondContact O-CG 3.33Å; L1011-D1015 HydrophobicContact CB-CB 4.29Å; L1011-V1016 HydrophobicContact CB-CG2 3.63Å; L1011-V1019 HydrophobicContact CD1-CB 4.18Å; L1011-V1019 HydrophobicContact CD1-CG1 4.34Å; L1011-V1019 HydrophobicContact CD1-CG2 3.77Å; L1011-H1071 HydrophobicContact CD2-CB 4.17Å; L1011-I1073 HydrophobicContact CD1-CD1 4.07Å; L1011-I1073 HydrophobicContact CD1-CG1 4.34Å; L1011-I1073 HydrophobicContact CD2-CD1 3.5Å; L1011-I1073 HydrophobicContact CD2-CG1 3.54Å; L1011-I1073 HydrophobicContact CG-CD1 4.45Å
1012V96.1Very high96.8Very high55 Ų5516.7 Ų16.733%0.3339%0.088SC..  trans-72157.6170.2-60.50000111.2D1014 D1015 V1016 E1069V1012-D1014 PolarHBondContact O-N 3.07Å; V1012-D1015 HydrophobicContact CG2-CB 4Å; V1012-D1015 WeakPolarHBondContact O-CB 3.4Å; V1012-D1015 PolarHBondContact O-N 2.8Å; V1012-V1016 WeakPolarHBondContact O-CG2 3.27Å; V1012-V1016 PolarHBondContact O-N 2.89Å; V1012-E1069 HydrophobicContact CG1-CB 3.78Å; V1012-E1069 HydrophobicContact CG1-CG 4.02Å
1013Y96.1Very high96.8Very high16 Ų1617.1 Ų17.16%0.0639%0.09CC..Hα-helixtrans-52.8-45.7-171.6-94.7-86000115D893 Y896 F899 P933 V936 D1015 V1016 F1017D893-Y1013 HydrophobicContact CB-CE2 4.38Å; D893-Y1013 WeakPolarHBondContact OD2-CE2 2.99Å; D893-Y1013 PolarHBondContact OD2-OH 2.97Å; Y896-Y1013 HydrophobicContact CD1-CD2 4.16Å; Y896-Y1013 AromaticContact CD1-CE2 3.94Å; Y896-Y1013 HydrophobicContact CD1-CE2 3.94Å; Y896-Y1013 AromaticContact CD2-CD2 3.53Å; Y896-Y1013 HydrophobicContact CD2-CD2 3.53Å; Y896-Y1013 AromaticContact CD2-CE2 3.95Å; Y896-Y1013 HydrophobicContact CD2-CE2 3.95Å; Y896-Y1013 HydrophobicContact CD2-CG 4.22Å; Y896-Y1013 HydrophobicContact CE1-CD1 4.46Å; Y896-Y1013 HydrophobicContact CE1-CD2 4.24Å; Y896-Y1013 HydrophobicContact CE1-CE2 4.35Å; Y896-Y1013 HydrophobicContact CE1-CG 4.3Å; Y896-Y1013 AromaticContact CE2-CD2 3.63Å; Y896-Y1013 HydrophobicContact CE2-CD2 3.63Å; Y896-Y1013 HydrophobicContact CE2-CE2 4.36Å; Y896-Y1013 AromaticContact CE2-CG 3.84Å; Y896-Y1013 HydrophobicContact CE2-CG 3.84Å; Y896-Y1013 AromaticContact CG-CD2 3.81Å; Y896-Y1013 HydrophobicContact CG-CD2 3.81Å; Y896-Y1013 AromaticContact CG-CE2 3.72Å; Y896-Y1013 HydrophobicContact CG-CE2 3.72Å; Y896-Y1013 AromaticContact CZ-CD2 3.99Å; Y896-Y1013 AromaticContact CZ-CG 3.87Å; F899-Y1013 WeakPolarHBondContact CE2-OH 3.4Å; P933-Y1013 HydrophobicContact CB-CE1 4.39Å; P933-Y1013 HydrophobicContact CG-CE1 4.16Å; V936-Y1013 HydrophobicContact CB-CE1 4.42Å; V936-Y1013 HydrophobicContact CG2-CE1 3.98Å; Y1013-D1015 VanDerWaalsContact C-N 3.28Å; Y1013-D1015 PolarHBondContact O-N 3.19Å; Y1013-V1016 WeakPolarHBondContact O-CB 3.41Å; Y1013-V1016 PolarHBondContact O-N 2.81Å; Y1013-F1017 AromaticContact CD1-CE1 3.74Å; Y1013-F1017 HydrophobicContact CD1-CE1 3.74Å; Y1013-F1017 AromaticContact CD1-CZ 3.66Å; Y1013-F1017 HydrophobicContact CD1-CZ 3.66Å; Y1013-F1017 HydrophobicContact CG-CZ 4.38Å; Y1013-F1017 VanDerWaalsContact O-CD1 3.32Å; Y1013-F1017 WeakPolarHBondContact O-CD1 3.5Å; Y1013-F1017 WeakPolarHBondContact O-CD2 3.48Å; Y1013-F1017 WeakPolarHBondContact O-CG 3.47Å; Y1013-F1017 PolarHBondContact O-N 3.01Å
1014D95.6Very high96.9Very high100 Ų10017.8 Ų17.854%0.5359%0.093SC..Hα-helixtrans-63.4-32.3178.7-79.6-59.1000114R568 V1012 A1018R568-D1014 IonicContact NH1-OD1 3.18Å; R568-D1014 PolarHBondContact NH1-OD1 3.36Å; V1012-D1014 PolarHBondContact O-N 3.07Å; D1014-A1018 PolarHBondContact O-N 2.74Å
1015D97.4Very high96.9Very high43 Ų4316.9 Ų16.923%0.239%0.088CC..Hα-helixtrans-77.5-38.1175.9-83.4-25.6000111.7L1011 V1012 Y1013 F1017 A1018 V1019 I1073L1011-D1015 HydrophobicContact CB-CB 4.29Å; V1012-D1015 HydrophobicContact CG2-CB 4Å; V1012-D1015 WeakPolarHBondContact O-CB 3.4Å; V1012-D1015 PolarHBondContact O-N 2.8Å; Y1013-D1015 VanDerWaalsContact C-N 3.28Å; Y1013-D1015 PolarHBondContact O-N 3.19Å; D1015-F1017 VanDerWaalsContact C-N 3.27Å; D1015-F1017 PolarHBondContact O-N 3.46Å; D1015-A1018 PolarHBondContact O-N 2.83Å; D1015-V1019 WeakPolarHBondContact O-CB 3.43Å; D1015-V1019 VanDerWaalsContact O-CG2 3.31Å; D1015-V1019 WeakPolarHBondContact O-CG2 3.3Å; D1015-V1019 PolarHBondContact O-N 3.01Å; D1015-I1073 HydrophobicContact CB-CB 4.18Å; D1015-I1073 HydrophobicContact CB-CG1 3.9Å; D1015-I1073 HydrophobicContact CB-CG2 4.29Å; D1015-I1073 WeakPolarHBondContact OD1-CB 3.42Å
1016V98.1Very high96.9Very high0 Ų016.5 Ų16.50%09%0.086CC..Hα-helixtrans-56.2-45.5170.51750000109.9P933 K1008 L1011 V1012 Y1013 V1019 W1020P933-V1016 HydrophobicContact CB-CG1 4.45Å; P933-V1016 HydrophobicContact CG-CG1 4.08Å; K1008-V1016 HydrophobicContact CD-CG1 3.95Å; K1008-V1016 HydrophobicContact CD-CG2 4.02Å; L1011-V1016 HydrophobicContact CB-CG2 3.63Å; V1012-V1016 WeakPolarHBondContact O-CG2 3.27Å; V1012-V1016 PolarHBondContact O-N 2.89Å; Y1013-V1016 WeakPolarHBondContact O-CB 3.41Å; Y1013-V1016 PolarHBondContact O-N 2.81Å; V1016-V1019 PolarHBondContact O-N 2.89Å; V1016-W1020 HydrophobicContact CG1-CD2 4.01Å; V1016-W1020 HydrophobicContact CG1-CG 4.19Å; V1016-W1020 HydrophobicContact CG1-CZ2 4.25Å; V1016-W1020 VanDerWaalsContact O-CB 3.31Å; V1016-W1020 WeakPolarHBondContact O-CB 3.43Å; V1016-W1020 VanDerWaalsContact O-CD1 3.29Å; V1016-W1020 VanDerWaalsContact O-CG 3.3Å; V1016-W1020 PolarHBondContact O-N 3.15Å
1017F97.8Very high96.7Very high6 Ų621.8 Ų21.83%0.02611%0.109CC..Hα-helixtrans-58.5-51.8178.2-57.8-27.6000111.7W572 P933 V936 I937 Y1013 D1015 V1019 W1020 E1021W572-F1017 AromaticContact CH2-CD1 3.42Å; W572-F1017 HydrophobicContact CH2-CD1 3.42Å; W572-F1017 VanDerWaalsContact CH2-CD1 3.42Å; W572-F1017 AromaticContact CH2-CE1 3.9Å; W572-F1017 HydrophobicContact CH2-CE1 3.9Å; W572-F1017 HydrophobicContact CH2-CG 4.25Å; W572-F1017 HydrophobicContact CZ2-CB 3.91Å; W572-F1017 AromaticContact CZ2-CD1 3.65Å; W572-F1017 HydrophobicContact CZ2-CD1 3.65Å; W572-F1017 HydrophobicContact CZ2-CE1 4.44Å; W572-F1017 HydrophobicContact CZ2-CG 4.01Å; P933-F1017 HydrophobicContact CB-CD1 4.46Å; P933-F1017 HydrophobicContact CB-CE1 4.06Å; V936-F1017 HydrophobicContact CG1-CZ 3.89Å; I937-F1017 HydrophobicContact CD1-CD1 4.42Å; I937-F1017 HydrophobicContact CD1-CD2 4.14Å; I937-F1017 HydrophobicContact CD1-CE1 3.99Å; I937-F1017 HydrophobicContact CD1-CE2 3.73Å; I937-F1017 HydrophobicContact CD1-CG 4.47Å; I937-F1017 HydrophobicContact CD1-CZ 3.62Å; I937-F1017 HydrophobicContact CG1-CD1 4.17Å; I937-F1017 HydrophobicContact CG1-CE1 3.7Å; I937-F1017 HydrophobicContact CG1-CE2 4.38Å; I937-F1017 HydrophobicContact CG1-CZ 3.81Å; Y1013-F1017 AromaticContact CD1-CE1 3.74Å; Y1013-F1017 HydrophobicContact CD1-CE1 3.74Å; Y1013-F1017 AromaticContact CD1-CZ 3.66Å; Y1013-F1017 HydrophobicContact CD1-CZ 3.66Å; Y1013-F1017 HydrophobicContact CG-CZ 4.38Å; Y1013-F1017 VanDerWaalsContact O-CD1 3.32Å; Y1013-F1017 WeakPolarHBondContact O-CD1 3.5Å; Y1013-F1017 WeakPolarHBondContact O-CD2 3.48Å; Y1013-F1017 WeakPolarHBondContact O-CG 3.47Å; Y1013-F1017 PolarHBondContact O-N 3.01Å; D1015-F1017 VanDerWaalsContact C-N 3.27Å; D1015-F1017 PolarHBondContact O-N 3.46Å; F1017-V1019 PolarHBondContact O-N 3.23Å; F1017-W1020 PolarHBondContact O-N 3.22Å; F1017-E1021 WeakPolarHBondContact O-CB 3.36Å; F1017-E1021 VanDerWaalsContact O-CD 3.29Å; F1017-E1021 WeakPolarHBondContact O-CG 3.18Å; F1017-E1021 PolarHBondContact O-N 2.66Å
1018A97.1Very high96.3Very high24 Ų2427.4 Ų27.420%0.19813%0.131CC..Hα-helixtrans-63.8-37.4179.200000113.2D1014 D1015 T1022D1014-A1018 PolarHBondContact O-N 2.74Å; D1015-A1018 PolarHBondContact O-N 2.83Å; A1018-T1022 WeakPolarHBondContact O-CB 3.36Å; A1018-T1022 PolarHBondContact O-N 3.25Å; A1018-T1022 VanDerWaalsContact O-N 3.08Å; A1018-T1022 PolarHBondContact O-OG1 2.91Å
1019V98.2Very high96Very high0 Ų027.8 Ų27.80%013%0.134CC..Hα-helixtrans-66.9-44.8176.1165.30000111.1F1007 L1011 D1015 V1016 F1017 T1022 I1023 I1038 I1073 L1077F1007-V1019 HydrophobicContact CD2-CG1 4.29Å; L1011-V1019 HydrophobicContact CD1-CB 4.18Å; L1011-V1019 HydrophobicContact CD1-CG1 4.34Å; L1011-V1019 HydrophobicContact CD1-CG2 3.77Å; D1015-V1019 WeakPolarHBondContact O-CB 3.43Å; D1015-V1019 VanDerWaalsContact O-CG2 3.31Å; D1015-V1019 WeakPolarHBondContact O-CG2 3.3Å; D1015-V1019 PolarHBondContact O-N 3.01Å; V1016-V1019 PolarHBondContact O-N 2.89Å; F1017-V1019 PolarHBondContact O-N 3.23Å; V1019-T1022 PolarHBondContact O-N 3.11Å; V1019-I1023 HydrophobicContact CG1-CD1 3.62Å; V1019-I1023 HydrophobicContact CG1-CG1 4.4Å; V1019-I1023 VanDerWaalsContact O-CG1 3.25Å; V1019-I1023 WeakPolarHBondContact O-CG1 3.07Å; V1019-I1023 PolarHBondContact O-N 3.25Å; V1019-I1038 HydrophobicContact CG1-CD1 4Å; V1019-I1073 HydrophobicContact CG2-CD1 3.88Å; V1019-I1073 HydrophobicContact CG2-CG1 4.3Å; V1019-I1073 HydrophobicContact CG2-CG2 3.75Å; V1019-L1077 HydrophobicContact CG2-CD1 4.21Å; V1019-L1077 HydrophobicContact CG2-CD2 4.17Å; V1019-L1077 HydrophobicContact CG2-CG 4.34Å
1020W98.2Very high95.8Very high0 Ų024.9 Ų24.90%012%0.124CC..Hα-helixtrans-67.1-46.6-179.9-76.621.3000112.2W572 L930 P933 L934 L951 D1006 K1008 V1016 F1017 T1022 I1023 W1024W572-W1020 HydrophobicContact CH2-CE3 4.44Å; L930-W1020 HydrophobicContact CD2-CH2 4.09Å; L930-W1020 HydrophobicContact CD2-CZ2 3.91Å; L930-W1020 WeakPolarHBondContact O-CH2 3.45Å; P933-W1020 HydrophobicContact CB-CE3 4.11Å; P933-W1020 HydrophobicContact CB-CH2 4.03Å; P933-W1020 HydrophobicContact CB-CZ3 3.65Å; P933-W1020 HydrophobicContact CG-CE3 4.48Å; P933-W1020 HydrophobicContact CG-CH2 3.62Å; P933-W1020 HydrophobicContact CG-CZ2 4.14Å; P933-W1020 HydrophobicContact CG-CZ3 3.81Å; L934-W1020 HydrophobicContact CD2-CZ3 4.26Å; L934-W1020 HydrophobicContact CG-CZ3 4.37Å; L951-W1020 HydrophobicContact CD2-CH2 4.2Å; L951-W1020 HydrophobicContact CD2-CZ3 4.06Å; D1006-W1020 HydrophobicContact CB-CZ2 4.35Å; D1006-W1020 VanDerWaalsContact CB-NE1 3.31Å; D1006-W1020 PolarHBondContact O-NE1 2.92Å; K1008-W1020 HydrophobicContact CB-CZ2 4.43Å; V1016-W1020 HydrophobicContact CG1-CD2 4.01Å; V1016-W1020 HydrophobicContact CG1-CG 4.19Å; V1016-W1020 HydrophobicContact CG1-CZ2 4.25Å; V1016-W1020 VanDerWaalsContact O-CB 3.31Å; V1016-W1020 WeakPolarHBondContact O-CB 3.43Å; V1016-W1020 VanDerWaalsContact O-CD1 3.29Å; V1016-W1020 VanDerWaalsContact O-CG 3.3Å; V1016-W1020 PolarHBondContact O-N 3.15Å; F1017-W1020 PolarHBondContact O-N 3.22Å; W1020-T1022 VanDerWaalsContact C-N 3.26Å; W1020-T1022 PolarHBondContact O-N 3.23Å; W1020-I1023 PolarHBondContact O-N 2.91Å; W1020-I1023 VanDerWaalsContact O-N 3.14Å; W1020-W1024 HydrophobicContact CB-CH2 4.06Å; W1020-W1024 HydrophobicContact CB-CZ2 3.77Å; W1020-W1024 HydrophobicContact CD2-CZ2 4.09Å; W1020-W1024 AromaticContact CE3-CH2 3.92Å; W1020-W1024 HydrophobicContact CE3-CH2 3.92Å; W1020-W1024 AromaticContact CE3-CZ2 3.51Å; W1020-W1024 HydrophobicContact CE3-CZ2 3.51Å; W1020-W1024 HydrophobicContact CG-CZ2 4.25Å; W1020-W1024 HydrophobicContact CZ3-CZ2 4.34Å; W1020-W1024 VanDerWaalsContact O-CD2 3.25Å; W1020-W1024 PolarHBondContact O-N 3.41Å
1021E97.7Very high95.7Very high1 Ų124.9 Ų24.91%0.00512%0.124CC..Hα-helixtrans-52.1-46.2171.3-73161.4-165.500111.2V558 V563 R568 W572 L575 F1017 A1025V558-E1021 HydrophobicContact CG1-CB 3.99Å; V563-E1021 HydrophobicContact CB-CG 4.34Å; V563-E1021 WeakPolarHBondContact CB-OE2 3.32Å; V563-E1021 HydrophobicContact CG2-CB 4.25Å; V563-E1021 HydrophobicContact CG2-CG 3.73Å; V563-E1021 PolarHBondContact N-OE2 3.17Å; R568-E1021 WeakPolarHBondContact CD-OE1 3.42Å; R568-E1021 WeakPolarHBondContact CG-OE1 3.41Å; R568-E1021 IonicContact CZ-OE1 2.88Å; R568-E1021 IonicContact NE-OE1 3.38Å; R568-E1021 PolarHBondContact NE-OE1 3.43Å; R568-E1021 IonicContact NH2-OE1 3.89Å; R568-E1021 IonicContact NH2-OE2 2.88Å; W572-E1021 PolarHBondContact NE1-OE1 2.93Å; L575-E1021 HydrophobicContact CD1-CG 4.41Å; F1017-E1021 WeakPolarHBondContact O-CB 3.36Å; F1017-E1021 VanDerWaalsContact O-CD 3.29Å; F1017-E1021 WeakPolarHBondContact O-CG 3.18Å; F1017-E1021 PolarHBondContact O-N 2.66Å; E1021-A1025 WeakPolarHBondContact O-CB 3.07Å; E1021-A1025 PolarHBondContact O-N 3.1Å; E1021-A1025 VanDerWaalsContact O-N 3.13Å
1022T97.3Very high95.5Very high2 Ų227.9 Ų27.91%0.01215%0.145CC..Hα-helixtrans-66.7-42.4177.8-53.20000112.1Y559 A1018 V1019 W1020 A1025 A1026 F1034 L1077Y559-T1022 HydrophobicContact CD2-CG2 4.07Å; Y559-T1022 HydrophobicContact CE2-CG2 4.43Å; A1018-T1022 WeakPolarHBondContact O-CB 3.36Å; A1018-T1022 PolarHBondContact O-N 3.25Å; A1018-T1022 VanDerWaalsContact O-N 3.08Å; A1018-T1022 PolarHBondContact O-OG1 2.91Å; V1019-T1022 PolarHBondContact O-N 3.11Å; W1020-T1022 VanDerWaalsContact C-N 3.26Å; W1020-T1022 PolarHBondContact O-N 3.23Å; T1022-A1025 PolarHBondContact O-N 2.9Å; T1022-A1026 WeakPolarHBondContact O-CA 3.3Å; T1022-A1026 WeakPolarHBondContact O-CB 3.46Å; T1022-A1026 PolarHBondContact O-N 3.02Å; T1022-F1034 HydrophobicContact CG2-CD1 4.31Å; T1022-F1034 HydrophobicContact CG2-CE1 3.6Å; T1022-F1034 HydrophobicContact CG2-CZ 4.19Å; T1022-L1077 HydrophobicContact CG2-CD2 4.11Å
1023I97.4Very high95.5Very high11 Ų1127.8 Ų27.86%0.05614%0.141CC..Hα-helixtrans-61.4-45.6178.2-72161.1000111.2D1006 V1019 W1020 A1026 K1027 F1034 V1035 I1038D1006-I1023 HydrophobicContact CB-CD1 4.32Å; V1019-I1023 HydrophobicContact CG1-CD1 3.62Å; V1019-I1023 HydrophobicContact CG1-CG1 4.4Å; V1019-I1023 VanDerWaalsContact O-CG1 3.25Å; V1019-I1023 WeakPolarHBondContact O-CG1 3.07Å; V1019-I1023 PolarHBondContact O-N 3.25Å; W1020-I1023 PolarHBondContact O-N 2.91Å; W1020-I1023 VanDerWaalsContact O-N 3.14Å; I1023-A1026 PolarHBondContact O-N 3.06Å; I1023-K1027 PolarHBondContact O-N 2.95Å; I1023-F1034 HydrophobicContact CG1-CD1 4.36Å; I1023-V1035 HydrophobicContact CD1-CG1 3.85Å; I1023-V1035 HydrophobicContact CG1-CG1 4.11Å; I1023-V1035 HydrophobicContact CG2-CG1 4.16Å; I1023-I1038 HydrophobicContact CD1-CD1 3.98Å; I1023-I1038 HydrophobicContact CG1-CD1 3.72Å
1024W96.9Very high95.5Very high15 Ų1527.2 Ų27.26%0.05714%0.139CC..Hα-helixtrans-65.8-42.2-178.5-55.6-23.7000111.5W572 L575 L576 L934 W1020 Y1028W572-W1024 HydrophobicContact CB-CZ3 4.37Å; W572-W1024 AromaticContact CD2-CH2 3.92Å; W572-W1024 HydrophobicContact CD2-CH2 3.92Å; W572-W1024 AromaticContact CD2-CZ3 3.77Å; W572-W1024 HydrophobicContact CD2-CZ3 3.77Å; W572-W1024 AromaticContact CE2-CZ3 3.93Å; W572-W1024 AromaticContact CE3-CH2 3.9Å; W572-W1024 HydrophobicContact CE3-CH2 3.9Å; W572-W1024 HydrophobicContact CE3-CZ3 4.23Å; W572-W1024 HydrophobicContact CG-CH2 4.42Å; W572-W1024 AromaticContact CG-CZ3 3.85Å; W572-W1024 HydrophobicContact CG-CZ3 3.85Å; W572-W1024 HydrophobicContact CH2-CH2 4.27Å; W572-W1024 HydrophobicContact CZ2-CH2 4.33Å; W572-W1024 HydrophobicContact CZ2-CZ3 4.45Å; W572-W1024 HydrophobicContact CZ3-CH2 4.1Å; L575-W1024 HydrophobicContact CB-CB 4.35Å; L575-W1024 HydrophobicContact CB-CE3 3.74Å; L575-W1024 HydrophobicContact CB-CZ3 4.49Å; L575-W1024 HydrophobicContact CD1-CE3 4.02Å; L576-W1024 HydrophobicContact CD1-CH2 3.92Å; L576-W1024 HydrophobicContact CD1-CZ2 4.17Å; L576-W1024 HydrophobicContact CD1-CZ3 4.32Å; L576-W1024 HydrophobicContact CD2-CD2 3.97Å; L576-W1024 HydrophobicContact CD2-CE3 4.41Å; L576-W1024 HydrophobicContact CD2-CG 4.49Å; L576-W1024 HydrophobicContact CD2-CH2 4.18Å; L576-W1024 HydrophobicContact CD2-CZ2 3.71Å; L576-W1024 HydrophobicContact CG-CD2 4.35Å; L576-W1024 HydrophobicContact CG-CE3 4.3Å; L576-W1024 HydrophobicContact CG-CH2 4.11Å; L576-W1024 HydrophobicContact CG-CZ2 4.16Å; L576-W1024 HydrophobicContact CG-CZ3 4.18Å; L934-W1024 HydrophobicContact CD2-CH2 4.26Å; W1020-W1024 HydrophobicContact CB-CH2 4.06Å; W1020-W1024 HydrophobicContact CB-CZ2 3.77Å; W1020-W1024 HydrophobicContact CD2-CZ2 4.09Å; W1020-W1024 AromaticContact CE3-CH2 3.92Å; W1020-W1024 HydrophobicContact CE3-CH2 3.92Å; W1020-W1024 AromaticContact CE3-CZ2 3.51Å; W1020-W1024 HydrophobicContact CE3-CZ2 3.51Å; W1020-W1024 HydrophobicContact CG-CZ2 4.25Å; W1020-W1024 HydrophobicContact CZ3-CZ2 4.34Å; W1020-W1024 VanDerWaalsContact O-CD2 3.25Å; W1020-W1024 PolarHBondContact O-N 3.41Å; W1024-Y1028 WeakPolarHBondContact O-CD2 3.4Å
1025A96.1Very high95.5Very high0 Ų022.9 Ų22.90%012%0.116CC..Hα-helixtrans-69.9-37.3174.800000113.1L555 V558 E1021 T1022 K1027 Y1028 A1029L555-A1025 HydrophobicContact CD2-CB 4.49Å; L555-A1025 WeakPolarHBondContact O-CB 3.46Å; V558-A1025 HydrophobicContact CB-CB 4.1Å; V558-A1025 HydrophobicContact CG1-CB 3.9Å; E1021-A1025 WeakPolarHBondContact O-CB 3.07Å; E1021-A1025 PolarHBondContact O-N 3.1Å; E1021-A1025 VanDerWaalsContact O-N 3.13Å; T1022-A1025 PolarHBondContact O-N 2.9Å; A1025-K1027 VanDerWaalsContact C-N 3.26Å; A1025-K1027 PolarHBondContact O-N 2.93Å; A1025-Y1028 PolarHBondContact O-N 2.91Å; A1025-Y1028 VanDerWaalsContact O-N 3.1Å; A1025-A1029 PolarHBondContact O-N 3.41Å
1026A95.6Very high95.5Very high0 Ų020.9 Ų20.90%011%0.105CC..Hα-helixtrans-60.1-33.7-178.100000113.1Y559 T1022 I1023 Y1028 A1029 S1030 S1031 F1034Y559-A1026 HydrophobicContact CD2-CB 3.68Å; Y559-A1026 HydrophobicContact CE2-CB 3.58Å; T1022-A1026 WeakPolarHBondContact O-CA 3.3Å; T1022-A1026 WeakPolarHBondContact O-CB 3.46Å; T1022-A1026 PolarHBondContact O-N 3.02Å; I1023-A1026 PolarHBondContact O-N 3.06Å; A1026-Y1028 PolarHBondContact O-N 2.7Å; A1026-Y1028 VanDerWaalsContact O-N 3.15Å; A1026-A1029 PolarHBondContact O-N 2.72Å; A1026-S1030 PolarHBondContact O-N 3.37Å; A1026-S1031 CarbonylContact C-O 3.55Å; A1026-S1031 VanDerWaalsContact C-O 3.27Å; A1026-S1031 CarbonylContact O-C 3.19Å; A1026-S1031 PolarHBondContact O-N 3.09Å; A1026-F1034 HydrophobicContact CB-CB 3.5Å; A1026-F1034 HydrophobicContact CB-CD1 3.73Å; A1026-F1034 HydrophobicContact CB-CD2 3.88Å; A1026-F1034 HydrophobicContact CB-CE1 4.45Å; A1026-F1034 HydrophobicContact CB-CG 3.41Å; A1026-F1034 VanDerWaalsContact CB-CG 3.41Å
1027K92.8Very high95.5Very high112 Ų11220.9 Ų20.949%0.48711%0.105SC..Hα-helixtrans-47.6-42.1173.9178.4-171.7166.1-158.70112.2N518 I1023 A1025 S1031N518-K1027 PolarHBondContact ND2-O 2.74Å; I1023-K1027 PolarHBondContact O-N 2.95Å; A1025-K1027 VanDerWaalsContact C-N 3.26Å; A1025-K1027 PolarHBondContact O-N 2.93Å; K1027-S1031 WeakPolarHBondContact CA-O 3.33Å; K1027-S1031 PolarHBondContact N-O 3.08Å
1028Y89.3Confident95.5Very high119 Ų11920.6 Ų20.647%0.46710%0.104SC..Hα-helixtrans-91.9-39-177.8-58.2-89.9000111.8N518 L555 W1024 A1025 A1026N518-Y1028 PolarHBondContact ND2-O 2.72Å; L555-Y1028 HydrophobicContact CD1-CD1 4.35Å; L555-Y1028 HydrophobicContact CD1-CD2 3.96Å; L555-Y1028 HydrophobicContact CD1-CG 3.78Å; W1024-Y1028 WeakPolarHBondContact O-CD2 3.4Å; A1025-Y1028 PolarHBondContact O-N 2.91Å; A1025-Y1028 VanDerWaalsContact O-N 3.1Å; A1026-Y1028 PolarHBondContact O-N 2.7Å; A1026-Y1028 VanDerWaalsContact O-N 3.15Å
1029A89.5Confident95.5Very high10 Ų1019.5 Ų19.58%0.08310%0.095CC..Hα-helixtrans-75.7-40-176.200000114.4V522 Y559 A1025 A1026V522-A1029 WeakPolarHBondContact CG2-O 3.12Å; Y559-A1029 HydrophobicContact CD1-CB 3.91Å; Y559-A1029 HydrophobicContact CD2-CB 4.12Å; Y559-A1029 HydrophobicContact CE1-CB 4.38Å; Y559-A1029 HydrophobicContact CG-CB 3.74Å; A1025-A1029 PolarHBondContact O-N 3.41Å; A1026-A1029 PolarHBondContact O-N 2.72Å
1030S92.4Very high95.4Very high4 Ų419.5 Ų19.53%0.02810%0.095CC..THydrogen-bonded Turntrans-150.8-33.5-163.870.70000117N518 Y559 A1026N518-S1030 PolarHBondContact N-O 3.3Å; Y559-S1030 VanDerWaalsContact CE2-OG 3.27Å; Y559-S1030 WeakPolarHBondContact CE2-OG 3.45Å; Y559-S1030 VanDerWaalsContact CZ-OG 3.25Å; Y559-S1030 VanDerWaalsContact OH-CB 3.27Å; Y559-S1030 WeakPolarHBondContact OH-CB 3.49Å; Y559-S1030 PolarHBondContact OH-OG 3.21Å; A1026-S1030 PolarHBondContact O-N 3.37Å
1031S94.1Very high95.3Very high1 Ų119.5 Ų19.51%0.00710%0.095CC..  trans-169.1127.1-174.3175.70000111.7L516 A1026 K1027 H1033 F1034L516-S1031 WeakPolarHBondContact O-CB 3.44Å; L516-S1031 PolarHBondContact O-OG 3.14Å; A1026-S1031 CarbonylContact C-O 3.55Å; A1026-S1031 VanDerWaalsContact C-O 3.27Å; A1026-S1031 CarbonylContact O-C 3.19Å; A1026-S1031 PolarHBondContact O-N 3.09Å; K1027-S1031 WeakPolarHBondContact CA-O 3.33Å; K1027-S1031 PolarHBondContact N-O 3.08Å; S1031-H1033 PolarHBondContact O-N 3.31Å; S1031-H1033 VanDerWaalsContact OG-C 3.29Å; S1031-H1033 WeakPolarHBondContact OG-CA 3.37Å; S1031-H1033 PolarHBondContact OG-N 3.11Å; S1031-F1034 PolarHBondContact OG-N 2.85Å
1032S92.6Very high95.2Very high67 Ų6719.5 Ų19.547%0.46910%0.095SC..THydrogen-bonded Turntrans-63.6-19.5164.449.20000113.6
1033H94.4Very high95.1Very high53 Ų5319.5 Ų19.525%0.24510%0.095CC..THydrogen-bonded Turntrans-110.426.8-175.8-61.8-77.4000112.5S1031 V1035 L1036S1031-H1033 PolarHBondContact O-N 3.31Å; S1031-H1033 VanDerWaalsContact OG-C 3.29Å; S1031-H1033 WeakPolarHBondContact OG-CA 3.37Å; S1031-H1033 PolarHBondContact OG-N 3.11Å; H1033-V1035 PolarHBondContact O-N 2.97Å; H1033-L1036 HydrophobicContact CB-CD1 3.94Å; H1033-L1036 HydrophobicContact CB-CG 4.26Å; H1033-L1036 WeakPolarHBondContact O-CB 3.31Å; H1033-L1036 PolarHBondContact O-N 2.95Å
1034F96.8Very high94.9Very high3 Ų320.8 Ų20.81%0.01310%0.101CC..Hα-helixtrans-54.6-27.5-174.4-166.1-110.7000114.2Y559 T1022 I1023 A1026 S1031 L1036 F1037 I1038 L1077 A1080 R1081 V1084Y559-F1034 HydrophobicContact CE2-CD2 4.39Å; Y559-F1034 HydrophobicContact CE2-CE2 4.01Å; Y559-F1034 HydrophobicContact CE2-CZ 4.16Å; T1022-F1034 HydrophobicContact CG2-CD1 4.31Å; T1022-F1034 HydrophobicContact CG2-CE1 3.6Å; T1022-F1034 HydrophobicContact CG2-CZ 4.19Å; I1023-F1034 HydrophobicContact CG1-CD1 4.36Å; A1026-F1034 HydrophobicContact CB-CB 3.5Å; A1026-F1034 HydrophobicContact CB-CD1 3.73Å; A1026-F1034 HydrophobicContact CB-CD2 3.88Å; A1026-F1034 HydrophobicContact CB-CE1 4.45Å; A1026-F1034 HydrophobicContact CB-CG 3.41Å; A1026-F1034 VanDerWaalsContact CB-CG 3.41Å; S1031-F1034 PolarHBondContact OG-N 2.85Å; F1034-L1036 PolarHBondContact O-N 3.33Å; F1034-F1037 HydrophobicContact CD2-CB 4.39Å; F1034-F1037 HydrophobicContact CE2-CB 4.5Å; F1034-F1037 WeakPolarHBondContact O-CB 3.44Å; F1034-F1037 PolarHBondContact O-N 3.27Å; F1034-I1038 HydrophobicContact CD1-CD1 3.74Å; F1034-I1038 HydrophobicContact CD1-CG1 3.91Å; F1034-I1038 HydrophobicContact CE1-CD1 3.77Å; F1034-I1038 HydrophobicContact CE1-CG1 3.74Å; F1034-I1038 HydrophobicContact CZ-CG1 4.48Å; F1034-I1038 PolarHBondContact O-N 3.3Å; F1034-I1038 VanDerWaalsContact O-N 3.07Å; F1034-L1077 HydrophobicContact CE1-CD2 4.23Å; F1034-A1080 HydrophobicContact CE1-CB 4.36Å; F1034-A1080 HydrophobicContact CE2-CB 4.17Å; F1034-A1080 HydrophobicContact CZ-CB 3.7Å; F1034-R1081 HydrophobicContact CE2-CG 4.33Å; F1034-R1081 HydrophobicContact CZ-CG 4.04Å; F1034-V1084 HydrophobicContact CD2-CG2 3.87Å; F1034-V1084 HydrophobicContact CE2-CG2 3.89Å
1035V96.8Very high94.9Very high10 Ų1021.8 Ų21.86%0.06111%0.109CC..Hα-helixtrans-54.6-33.5172.5-63.10000113.6F1003 F1007 I1023 H1033 F1037 I1038 A1039F1003-V1035 HydrophobicContact CD1-CB 4.35Å; F1003-V1035 HydrophobicContact CD1-CG2 4.28Å; F1007-V1035 HydrophobicContact CE2-CB 4.2Å; F1007-V1035 HydrophobicContact CE2-CG1 4.39Å; F1007-V1035 WeakPolarHBondContact CZ-O 3.33Å; I1023-V1035 HydrophobicContact CD1-CG1 3.85Å; I1023-V1035 HydrophobicContact CG1-CG1 4.11Å; I1023-V1035 HydrophobicContact CG2-CG1 4.16Å; H1033-V1035 PolarHBondContact O-N 2.97Å; V1035-F1037 VanDerWaalsContact C-N 3.31Å; V1035-F1037 PolarHBondContact O-N 3Å; V1035-I1038 PolarHBondContact O-N 3.3Å; V1035-A1039 PolarHBondContact O-N 3.04Å
1036L96.3Very high94.8Very high0 Ų023 Ų230%011%0.113CC..Hα-helixtrans-67-34.8175.8-57.7-178.6000111.7L516 H968 N971 L975 F1003 H1033 F1034 L1040L516-L1036 HydrophobicContact CD1-CD1 4.49Å; L516-L1036 HydrophobicContact CD2-CD1 4.34Å; H968-L1036 HydrophobicContact CB-CD2 3.86Å; N971-L1036 HydrophobicContact CB-CD1 3.55Å; L975-L1036 HydrophobicContact CD1-CB 3.87Å; L975-L1036 HydrophobicContact CD1-CD1 4.26Å; F1003-L1036 HydrophobicContact CE1-CD2 3.86Å; F1003-L1036 HydrophobicContact CE2-CD2 4.34Å; F1003-L1036 HydrophobicContact CZ-CD2 3.7Å; H1033-L1036 HydrophobicContact CB-CD1 3.94Å; H1033-L1036 HydrophobicContact CB-CG 4.26Å; H1033-L1036 WeakPolarHBondContact O-CB 3.31Å; H1033-L1036 PolarHBondContact O-N 2.95Å; F1034-L1036 PolarHBondContact O-N 3.33Å; L1036-L1040 WeakPolarHBondContact O-CB 3.48Å; L1036-L1040 PolarHBondContact O-N 3.48Å
1037F97.5Very high94.8Very high0 Ų025.4 Ų25.40%012%0.123CC..Hα-helixtrans-78.1-28.7179.3-64-89.4000112L516 V517 L975 F1034 V1035 A1041 A1080 L1083 V1084 V1087L516-F1037 HydrophobicContact CB-CE2 4.41Å; L516-F1037 HydrophobicContact CB-CZ 4.4Å; V517-F1037 HydrophobicContact CG1-CE1 4.34Å; V517-F1037 HydrophobicContact CG1-CE2 4.03Å; V517-F1037 HydrophobicContact CG1-CZ 3.53Å; L975-F1037 HydrophobicContact CD1-CZ 4.47Å; L975-F1037 HydrophobicContact CD2-CE1 3.93Å; L975-F1037 HydrophobicContact CD2-CZ 4.04Å; F1034-F1037 HydrophobicContact CD2-CB 4.39Å; F1034-F1037 HydrophobicContact CE2-CB 4.5Å; F1034-F1037 WeakPolarHBondContact O-CB 3.44Å; F1034-F1037 PolarHBondContact O-N 3.27Å; V1035-F1037 VanDerWaalsContact C-N 3.31Å; V1035-F1037 PolarHBondContact O-N 3Å; F1037-A1041 WeakPolarHBondContact O-CB 3.46Å; F1037-A1041 PolarHBondContact O-N 2.94Å; F1037-A1080 HydrophobicContact CB-CB 4.27Å; F1037-A1080 WeakPolarHBondContact O-CB 3.38Å; F1037-L1083 HydrophobicContact CD1-CB 3.97Å; F1037-V1084 HydrophobicContact CB-CG2 3.91Å; F1037-V1084 HydrophobicContact CD1-CB 4.35Å; F1037-V1084 HydrophobicContact CD1-CG2 3.51Å; F1037-V1084 HydrophobicContact CD2-CG2 3.65Å; F1037-V1084 HydrophobicContact CE1-CB 4.45Å; F1037-V1084 HydrophobicContact CE1-CG2 3.86Å; F1037-V1084 HydrophobicContact CE2-CG2 4Å; F1037-V1084 HydrophobicContact CG-CG2 3.39Å; F1037-V1084 HydrophobicContact CZ-CG2 4.1Å; F1037-V1087 HydrophobicContact CE1-CB 4.37Å; F1037-V1087 HydrophobicContact CE1-CG2 3.96Å; F1037-V1087 HydrophobicContact CZ-CG2 4.49Å
1038I98.1Very high94.9Very high1 Ų124.8 Ų24.81%0.00512%0.124CC..Hα-helixtrans-68.7-44.7168.4-60.6177.2000110.6F1007 V1019 I1023 F1034 V1035 A1041 L1042 I1076 L1077 A1080F1007-I1038 HydrophobicContact CD1-CG2 4.28Å; F1007-I1038 HydrophobicContact CD2-CG2 4.1Å; F1007-I1038 HydrophobicContact CE1-CB 4.48Å; F1007-I1038 HydrophobicContact CE1-CG2 3.85Å; F1007-I1038 HydrophobicContact CE2-CB 3.87Å; F1007-I1038 HydrophobicContact CE2-CD1 4.4Å; F1007-I1038 HydrophobicContact CE2-CG2 3.67Å; F1007-I1038 HydrophobicContact CG-CG2 4.41Å; F1007-I1038 HydrophobicContact CZ-CB 3.75Å; F1007-I1038 HydrophobicContact CZ-CG2 3.54Å; V1019-I1038 HydrophobicContact CG1-CD1 4Å; I1023-I1038 HydrophobicContact CD1-CD1 3.98Å; I1023-I1038 HydrophobicContact CG1-CD1 3.72Å; F1034-I1038 HydrophobicContact CD1-CD1 3.74Å; F1034-I1038 HydrophobicContact CD1-CG1 3.91Å; F1034-I1038 HydrophobicContact CE1-CD1 3.77Å; F1034-I1038 HydrophobicContact CE1-CG1 3.74Å; F1034-I1038 HydrophobicContact CZ-CG1 4.48Å; F1034-I1038 PolarHBondContact O-N 3.3Å; F1034-I1038 VanDerWaalsContact O-N 3.07Å; V1035-I1038 PolarHBondContact O-N 3.3Å; I1038-A1041 PolarHBondContact O-N 3.35Å; I1038-L1042 HydrophobicContact CG2-CD1 4.47Å; I1038-L1042 PolarHBondContact O-N 3.26Å; I1038-I1076 HydrophobicContact CG2-CG2 4.06Å; I1038-L1077 HydrophobicContact CD1-CD2 3.98Å; I1038-L1077 HydrophobicContact CG1-CD2 4.26Å; I1038-A1080 HydrophobicContact CG1-CB 4.15Å
1039A96.9Very high95.1Very high0 Ų022.6 Ų22.60%012%0.12CC..Hα-helixtrans-62.1-42.1174.800000112M972 W1002 F1003 F1007 V1035 L1042 V1043M972-A1039 HydrophobicContact SD-CB 3.93Å; W1002-A1039 HydrophobicContact CE3-CB 3.8Å; W1002-A1039 HydrophobicContact CZ3-CB 4.07Å; F1003-A1039 HydrophobicContact CE1-CB 3.58Å; F1003-A1039 HydrophobicContact CZ-CB 3.72Å; F1007-A1039 HydrophobicContact CE1-CB 4.3Å; F1007-A1039 HydrophobicContact CZ-CB 4.12Å; V1035-A1039 PolarHBondContact O-N 3.04Å; A1039-L1042 PolarHBondContact O-N 3.37Å; A1039-V1043 WeakPolarHBondContact O-CG2 3.34Å; A1039-V1043 PolarHBondContact O-N 3.27Å; A1039-V1043 VanDerWaalsContact O-N 3.14Å
1040L95.9Very high95.2Very high1 Ų122.1 Ų22.11%0.00512%0.116CC..Hα-helixtrans-62.1-46.4172.9-173.756.4000111.8M972 L975 I976 L979 L1036 L1042 V1043 E1044 L1083M972-L1040 HydrophobicContact CE-CB 3.63Å; M972-L1040 HydrophobicContact CE-CD1 3.83Å; M972-L1040 HydrophobicContact CE-CG 4.18Å; L975-L1040 HydrophobicContact CB-CD2 4.3Å; I976-L1040 HydrophobicContact CG1-CD1 3.64Å; L979-L1040 HydrophobicContact CD1-CD2 3.56Å; L1036-L1040 WeakPolarHBondContact O-CB 3.48Å; L1036-L1040 PolarHBondContact O-N 3.48Å; L1040-L1042 VanDerWaalsContact C-N 3.32Å; L1040-L1042 PolarHBondContact O-N 3.29Å; L1040-V1043 PolarHBondContact O-N 3.44Å; L1040-V1043 VanDerWaalsContact O-N 3.15Å; L1040-E1044 HydrophobicContact CD1-CG 4.03Å; L1040-E1044 HydrophobicContact CG-CG 4.12Å; L1040-E1044 WeakPolarHBondContact O-CB 3.25Å; L1040-E1044 VanDerWaalsContact O-CG 3.26Å; L1040-E1044 WeakPolarHBondContact O-CG 3.26Å; L1040-E1044 PolarHBondContact O-N 3.15Å; L1040-L1083 HydrophobicContact CB-CD1 4.13Å; L1040-L1083 HydrophobicContact CD2-CB 4.46Å; L1040-L1083 HydrophobicContact CD2-CD1 3.95Å; L1040-L1083 HydrophobicContact CD2-CD2 3.84Å; L1040-L1083 HydrophobicContact CD2-CG 4.31Å; L1040-L1083 HydrophobicContact CG-CD1 3.78Å; L1040-L1083 HydrophobicContact CG-CD2 4.3Å
1041A97.6Very high95.2Very high0 Ų023.7 Ų23.70%012%0.124CC..Hα-helixtrans-62.9-35.7178.600000112.9F1037 I1038 V1045 I1076 L1079 A1080 L1083F1037-A1041 WeakPolarHBondContact O-CB 3.46Å; F1037-A1041 PolarHBondContact O-N 2.94Å; I1038-A1041 PolarHBondContact O-N 3.35Å; A1041-V1045 WeakPolarHBondContact O-CB 3.44Å; A1041-V1045 VanDerWaalsContact O-CG2 3.23Å; A1041-V1045 WeakPolarHBondContact O-CG2 3.28Å; A1041-V1045 PolarHBondContact O-N 2.96Å; A1041-I1076 HydrophobicContact CB-CG2 3.94Å; A1041-I1076 WeakPolarHBondContact CB-O 3.15Å; A1041-L1079 HydrophobicContact CB-CB 4.05Å; A1041-L1079 HydrophobicContact CB-CD2 4.18Å; A1041-L1079 HydrophobicContact CB-CG 4.05Å; A1041-A1080 HydrophobicContact CB-CB 3.98Å; A1041-L1083 HydrophobicContact CB-CD1 3.99Å
1042L95.8Very high95.2Very high1 Ų131.7 Ų31.71%0.00516%0.161CC..Hα-helixtrans-60.6-46.1171.2-89.9163.2000111.9W1002 F1007 I1038 A1039 L1040 Y1046 F1064 H1071 I1076W1002-L1042 HydrophobicContact CE3-CD1 4.26Å; W1002-L1042 HydrophobicContact CH2-CB 4.08Å; W1002-L1042 HydrophobicContact CH2-CD1 4.32Å; W1002-L1042 HydrophobicContact CZ3-CB 4.09Å; W1002-L1042 HydrophobicContact CZ3-CD1 4.16Å; F1007-L1042 HydrophobicContact CD1-CD1 3.67Å; F1007-L1042 HydrophobicContact CE1-CD1 3.56Å; I1038-L1042 HydrophobicContact CG2-CD1 4.47Å; I1038-L1042 PolarHBondContact O-N 3.26Å; A1039-L1042 PolarHBondContact O-N 3.37Å; L1040-L1042 VanDerWaalsContact C-N 3.32Å; L1040-L1042 PolarHBondContact O-N 3.29Å; L1042-Y1046 HydrophobicContact CD2-CE2 4.46Å; L1042-Y1046 WeakPolarHBondContact O-CD2 3.31Å; L1042-F1064 HydrophobicContact CB-CE1 4.38Å; L1042-F1064 HydrophobicContact CD2-CE1 4.47Å; L1042-H1071 HydrophobicContact CD2-CB 4.38Å; L1042-H1071 WeakPolarHBondContact CD2-CD2 3.19Å; L1042-I1076 HydrophobicContact CD2-CD1 3.52Å; L1042-I1076 HydrophobicContact CD2-CG1 4.37Å; L1042-I1076 HydrophobicContact CG-CD1 4.1Å; L1042-I1076 HydrophobicContact CG-CG2 4.16Å
1043V94.1Very high95.2Very high2 Ų233.4 Ų33.41%0.01217%0.165CC..Hα-helixtrans-67.2-43.6178.3172.30000111.4L983 M987 F998 W1002 A1039 L1040 V1045 Y1046 R1047 I1050 F1064L983-V1043 HydrophobicContact CD2-CG1 3.41Å; L983-V1043 VanDerWaalsContact CD2-CG1 3.41Å; M987-V1043 HydrophobicContact CE-CG1 4.25Å; F998-V1043 HydrophobicContact CE2-CG2 3.84Å; F998-V1043 HydrophobicContact CZ-CG2 4.23Å; W1002-V1043 HydrophobicContact CH2-CG2 4.29Å; W1002-V1043 HydrophobicContact CZ3-CG2 4.25Å; A1039-V1043 WeakPolarHBondContact O-CG2 3.34Å; A1039-V1043 PolarHBondContact O-N 3.27Å; A1039-V1043 VanDerWaalsContact O-N 3.14Å; L1040-V1043 PolarHBondContact O-N 3.44Å; L1040-V1043 VanDerWaalsContact O-N 3.15Å; V1043-V1045 PolarHBondContact O-N 3.38Å; V1043-Y1046 CarbonylContact O-C 3.52Å; V1043-Y1046 PolarHBondContact O-N 3.5Å; V1043-R1047 PolarHBondContact O-N 3.05Å; V1043-I1050 HydrophobicContact CG1-CD1 4.46Å; V1043-F1064 HydrophobicContact CG2-CE2 4.46Å; V1043-F1064 HydrophobicContact CG2-CZ 4.3Å
1044E94.4Very high95Very high38 Ų3835.4 Ų35.418%0.17818%0.178CC..Hα-helixtrans-65.1-36.2178.5-72.1-113.3-160.200113.1L1040 Y1046 R1047 L1079L1040-E1044 HydrophobicContact CD1-CG 4.03Å; L1040-E1044 HydrophobicContact CG-CG 4.12Å; L1040-E1044 WeakPolarHBondContact O-CB 3.25Å; L1040-E1044 VanDerWaalsContact O-CG 3.26Å; L1040-E1044 WeakPolarHBondContact O-CG 3.26Å; L1040-E1044 PolarHBondContact O-N 3.15Å; E1044-Y1046 PolarHBondContact O-N 3.39Å; E1044-R1047 WeakPolarHBondContact O-CB 3.43Å; E1044-R1047 PolarHBondContact O-N 3.12Å; E1044-L1079 HydrophobicContact CB-CD2 3.76Å
1045V95.8Very high94.6Very high36 Ų3636.3 Ų36.322%0.21818%0.182CC..Hα-helixtrans-62-27.5176.6161.20000112.7A1041 V1043 Q1075 I1076 L1079A1041-V1045 WeakPolarHBondContact O-CB 3.44Å; A1041-V1045 VanDerWaalsContact O-CG2 3.23Å; A1041-V1045 WeakPolarHBondContact O-CG2 3.28Å; A1041-V1045 PolarHBondContact O-N 2.96Å; V1043-V1045 PolarHBondContact O-N 3.38Å; V1045-Q1075 HydrophobicContact CG2-CG 4.22Å; V1045-I1076 HydrophobicContact CG2-CG1 4.04Å; V1045-L1079 HydrophobicContact CG2-CD2 3.88Å
1046Y94.9Very high94.1Very high24 Ų2438.8 Ų38.89%0.09420%0.195CC..THydrogen-bonded Turntrans-11212.6176.9-50.5-68.6000113.2L1042 V1043 E1044 D1048 I1049 I1050 F1063 F1064 M1067 H1071L1042-Y1046 HydrophobicContact CD2-CE2 4.46Å; L1042-Y1046 WeakPolarHBondContact O-CD2 3.31Å; V1043-Y1046 CarbonylContact O-C 3.52Å; V1043-Y1046 PolarHBondContact O-N 3.5Å; E1044-Y1046 PolarHBondContact O-N 3.39Å; Y1046-D1048 PolarHBondContact O-N 3.48Å; Y1046-I1049 HydrophobicContact CD1-CD1 4.29Å; Y1046-I1049 WeakPolarHBondContact O-CB 3.44Å; Y1046-I1049 PolarHBondContact O-N 3.16Å; Y1046-I1050 WeakPolarHBondContact O-CG1 3.33Å; Y1046-I1050 PolarHBondContact O-N 2.93Å; Y1046-F1063 HydrophobicContact CD1-CE1 4.16Å; Y1046-F1063 AromaticContact CD1-CZ 3.75Å; Y1046-F1063 HydrophobicContact CD1-CZ 3.75Å; Y1046-F1063 AromaticContact CD2-CE1 3.81Å; Y1046-F1063 HydrophobicContact CD2-CE1 3.81Å; Y1046-F1063 HydrophobicContact CD2-CZ 4.24Å; Y1046-F1063 HydrophobicContact CE1-CZ 4.36Å; Y1046-F1063 AromaticContact CG-CE1 3.61Å; Y1046-F1063 HydrophobicContact CG-CE1 3.61Å; Y1046-F1063 AromaticContact CG-CZ 3.68Å; Y1046-F1063 HydrophobicContact CG-CZ 3.68Å; Y1046-F1064 AromaticContact CD2-CE1 3.58Å; Y1046-F1064 HydrophobicContact CD2-CE1 3.58Å; Y1046-F1064 AromaticContact CD2-CZ 3.84Å; Y1046-F1064 HydrophobicContact CD2-CZ 3.84Å; Y1046-F1064 AromaticContact CE2-CE1 3.86Å; Y1046-F1064 HydrophobicContact CE2-CE1 3.86Å; Y1046-M1067 HydrophobicContact CE1-CE 4.01Å; Y1046-H1071 PolarHBondContact OH-ND1 2.8Å
1047R94.1Very high93.4Very high52 Ų5241.6 Ų41.620%0.19621%0.208CC..Hα-helixtrans-44.3-57-177.9179.3-166.1-168.8-82-12.9112.8D980 E982 V1043 E1044 I1049 I1050 L1051D980-R1047 IonicContact OD1-CZ 2.74Å; D980-R1047 IonicContact OD1-NE 3.34Å; D980-R1047 IonicContact OD1-NH2 3.89Å; D980-R1047 PolarHBondContact OD1-NH2 3.32Å; D980-R1047 IonicContact OD2-CZ 3.56Å; D980-R1047 IonicContact OD2-NE 3.48Å; D980-R1047 PolarHBondContact OD2-NE 2.9Å; D980-R1047 IonicContact OD2-NH2 3.47Å; D980-R1047 PolarHBondContact OD2-NH2 3.1Å; E982-R1047 IonicContact OE2-CZ 3.79Å; E982-R1047 IonicContact OE2-NH1 2.78Å; E982-R1047 PolarHBondContact OE2-NH1 2.84Å; E982-R1047 IonicContact OE2-NH2 2.7Å; E982-R1047 PolarHBondContact OE2-NH2 3.45Å; V1043-R1047 PolarHBondContact O-N 3.05Å; E1044-R1047 WeakPolarHBondContact O-CB 3.43Å; E1044-R1047 PolarHBondContact O-N 3.12Å; R1047-I1049 VanDerWaalsContact C-N 3.27Å; R1047-I1049 PolarHBondContact O-N 2.99Å; R1047-I1050 WeakPolarHBondContact O-CB 3.43Å; R1047-I1050 PolarHBondContact O-N 3.21Å; R1047-I1050 VanDerWaalsContact O-N 3.13Å; R1047-L1051 HydrophobicContact CG-CD1 3.89Å; R1047-L1051 VanDerWaalsContact CZ-CD1 3.47Å; R1047-L1051 WeakPolarHBondContact O-CG 3.33Å; R1047-L1051 PolarHBondContact O-N 3.11Å
1048D94.8Very high92.9Very high98 Ų9845.9 Ų45.952%0.52423%0.234SC..Hα-helixtrans-67.4-31.7-173.2-58.4-26.5000111.1Y1046 L1051 E1052Y1046-D1048 PolarHBondContact O-N 3.48Å; D1048-L1051 PolarHBondContact O-N 2.96Å; D1048-E1052 VanDerWaalsContact O-CB 3.23Å; D1048-E1052 WeakPolarHBondContact O-CB 2.74Å; D1048-E1052 VanDerWaalsContact O-CG 3.26Å; D1048-E1052 WeakPolarHBondContact O-CG 3.34Å; D1048-E1052 PolarHBondContact O-N 3.09Å
1049I94.8Very high92.5Very high73 Ų7349.5 Ų49.537%0.37425%0.253SS..Hα-helixtrans-67.2-42173.9-57.9178.9000110.8Y1046 R1047 N1053 M1055 F1063Y1046-I1049 HydrophobicContact CD1-CD1 4.29Å; Y1046-I1049 WeakPolarHBondContact O-CB 3.44Å; Y1046-I1049 PolarHBondContact O-N 3.16Å; R1047-I1049 VanDerWaalsContact C-N 3.27Å; R1047-I1049 PolarHBondContact O-N 2.99Å; I1049-N1053 WeakPolarHBondContact O-CB 3.46Å; I1049-N1053 PolarHBondContact O-N 2.9Å; I1049-N1053 PolarHBondContact O-ND2 3.42Å; I1049-M1055 HydrophobicContact CG2-CE 3.81Å; I1049-F1063 HydrophobicContact CG2-CE2 4.37Å
1050I92.1Very high92.1Very high0 Ų049.6 Ų49.60%025%0.254CS..Hα-helixtrans-64.1-43177.8-65.7164.8000110.5L983 L986 V1043 Y1046 R1047 N1054 M1055 I1060 F1064L983-I1050 HydrophobicContact CD1-CB 4.39Å; L983-I1050 HydrophobicContact CD1-CG2 3.77Å; L986-I1050 HydrophobicContact CD2-CG2 4.12Å; V1043-I1050 HydrophobicContact CG1-CD1 4.46Å; Y1046-I1050 WeakPolarHBondContact O-CG1 3.33Å; Y1046-I1050 PolarHBondContact O-N 2.93Å; R1047-I1050 WeakPolarHBondContact O-CB 3.43Å; R1047-I1050 PolarHBondContact O-N 3.21Å; R1047-I1050 VanDerWaalsContact O-N 3.13Å; I1050-N1054 PolarHBondContact O-N 2.69Å; I1050-M1055 HydrophobicContact CG1-SD 4.14Å; I1050-M1055 HydrophobicContact CG2-CB 4.33Å; I1050-M1055 PolarHBondContact O-N 2.8Å; I1050-I1060 HydrophobicContact CG2-CD1 4.05Å; I1050-I1060 HydrophobicContact CG2-CG1 4.28Å; I1050-F1064 HydrophobicContact CD1-CE2 4.29Å
1051L91.8Very high91.9Very high38 Ų3852.2 Ų52.220%0.19927%0.267CS..Hα-helixtrans-71.2-51.2179.1-67.1173000112.9E982 L983 L986 R1047 D1048 N1053 N1054E982-L1051 HydrophobicContact CG-CD1 4.29Å; E982-L1051 HydrophobicContact CG-CD2 4.11Å; L983-L1051 HydrophobicContact CD1-CD2 4.12Å; L983-L1051 HydrophobicContact CD1-CG 4.37Å; L986-L1051 HydrophobicContact CB-CD2 4.18Å; L986-L1051 HydrophobicContact CD2-CD2 3.81Å; R1047-L1051 HydrophobicContact CG-CD1 3.89Å; R1047-L1051 VanDerWaalsContact CZ-CD1 3.47Å; R1047-L1051 WeakPolarHBondContact O-CG 3.33Å; R1047-L1051 PolarHBondContact O-N 3.11Å; D1048-L1051 PolarHBondContact O-N 2.96Å; L1051-N1053 PolarHBondContact O-N 2.96Å; L1051-N1054 PolarHBondContact O-N 3.03Å
1052E94.3Very high91.6Very high168 Ų16857.5 Ų57.579%0.78529%0.29SS*.Hα-helixtrans-60.5-32.2-177.6-77.5-174.3165.700112.8D1048D1048-E1052 VanDerWaalsContact O-CB 3.23Å; D1048-E1052 WeakPolarHBondContact O-CB 2.74Å; D1048-E1052 VanDerWaalsContact O-CG 3.26Å; D1048-E1052 WeakPolarHBondContact O-CG 3.34Å; D1048-E1052 PolarHBondContact O-N 3.09Å
1053N92.5Very high91.5Very high103 Ų10359 Ų5955%0.55130%0.297SS*.THydrogen-bonded Turntrans-93.3-2.8178.1-64.8-86.7000113.3I1049 L1051 M1055I1049-N1053 WeakPolarHBondContact O-CB 3.46Å; I1049-N1053 PolarHBondContact O-N 2.9Å; I1049-N1053 PolarHBondContact O-ND2 3.42Å; L1051-N1053 PolarHBondContact O-N 2.96Å; N1053-M1055 VanDerWaalsContact C-N 3.26Å; N1053-M1055 HydrophobicContact CB-CE 4.03Å; N1053-M1055 HydrophobicContact CB-CG 3.91Å; N1053-M1055 PolarHBondContact O-N 3.14Å
1054N89.3Confident91.5Very high95 Ų9559.1 Ų59.151%0.50830%0.297SS..THydrogen-bonded Turntrans48.946.3-174.9-165.3103.9000111.8L986 N990 I1050 L1051L986-N1054 HydrophobicContact CD1-CB 4.5Å; L986-N1054 WeakPolarHBondContact CD1-OD1 3.35Å; N990-N1054 PolarHBondContact ND2-ND2 3.14Å; I1050-N1054 PolarHBondContact O-N 2.69Å; L1051-N1054 PolarHBondContact O-N 3.03Å
1055M89.5Confident91.4Very high23 Ų2360.9 Ų60.911%0.11331%0.308CS..  trans-61.3138.1-170.7-66.2-173.3172.400112.2N990 I1049 I1050 N1053 D1059 I1060 F1063N990-M1055 PolarHBondContact ND2-O 2.83Å; I1049-M1055 HydrophobicContact CG2-CE 3.81Å; I1050-M1055 HydrophobicContact CG1-SD 4.14Å; I1050-M1055 HydrophobicContact CG2-CB 4.33Å; I1050-M1055 PolarHBondContact O-N 2.8Å; N1053-M1055 VanDerWaalsContact C-N 3.26Å; N1053-M1055 HydrophobicContact CB-CE 4.03Å; N1053-M1055 HydrophobicContact CB-CG 3.91Å; N1053-M1055 PolarHBondContact O-N 3.14Å; M1055-D1059 HydrophobicContact CB-CB 3.86Å; M1055-D1059 HydrophobicContact CG-CB 4.2Å; M1055-I1060 HydrophobicContact CB-CG1 3.89Å; M1055-F1063 HydrophobicContact CE-CD2 4.3Å; M1055-F1063 HydrophobicContact SD-CB 4.41Å; M1055-F1063 HydrophobicContact SD-CG 4.46Å
1056D84.8Confident91.4Very high62 Ų6265 Ų6533%0.33232%0.324SS..  trans-86176.8169.693.28.9000112.5Y993 T1058 D1059 I1060Y993-D1056 VanDerWaalsContact OH-CA 3.28Å; Y993-D1056 WeakPolarHBondContact OH-CA 3.2Å; D1056-T1058 VanDerWaalsContact C-N 3.27Å; D1056-T1058 PolarHBondContact O-N 2.83Å; D1056-T1058 VanDerWaalsContact OD1-CA 3.23Å; D1056-T1058 WeakPolarHBondContact OD1-CA 3.39Å; D1056-T1058 WeakPolarHBondContact OD1-CB 3.46Å; D1056-T1058 PolarHBondContact OD1-N 3.4Å; D1056-T1058 PolarHBondContact OD1-OG1 3.37Å; D1056-T1058 VanDerWaalsContact OD1-OG1 3.04Å; D1056-D1059 PolarHBondContact N-OD2 2.84Å; D1056-D1059 PolarHBondContact O-N 3.12Å; D1056-D1059 PolarHBondContact OD1-N 3.01Å; D1056-I1060 WeakPolarHBondContact O-CB 3.35Å; D1056-I1060 VanDerWaalsContact O-CG1 3.29Å; D1056-I1060 WeakPolarHBondContact O-CG1 3.47Å; D1056-I1060 PolarHBondContact O-N 2.93Å
1057F82.6Confident91.4Very high59 Ų5966 Ų6626%0.25933%0.331SS..Hα-helixtrans-58.5-37.5-179.5174.8-104.1000113Y993 Y997 F998 I1061Y993-F1057 HydrophobicContact CD1-CB 4.35Å; Y993-F1057 HydrophobicContact CD1-CD2 4.43Å; Y993-F1057 HydrophobicContact CE1-CB 3.72Å; Y993-F1057 HydrophobicContact CE2-CB 3.9Å; Y993-F1057 PolarHBondContact OH-N 3.05Å; Y997-F1057 HydrophobicContact CD2-CZ 4.41Å; F998-F1057 HydrophobicContact CD1-CD2 4.47Å; F998-F1057 HydrophobicContact CD1-CE2 4.4Å; F1057-I1061 HydrophobicContact CD1-CD1 3.91Å; F1057-I1061 HydrophobicContact CD2-CD1 4.44Å; F1057-I1061 HydrophobicContact CE1-CD1 3.43Å; F1057-I1061 VanDerWaalsContact CE1-CD1 3.43Å; F1057-I1061 HydrophobicContact CE2-CD1 4.01Å; F1057-I1061 HydrophobicContact CG-CD1 4.4Å; F1057-I1061 HydrophobicContact CZ-CD1 3.49Å; F1057-I1061 VanDerWaalsContact CZ-CD1 3.49Å; F1057-I1061 WeakPolarHBondContact O-CB 3.34Å; F1057-I1061 VanDerWaalsContact O-CG1 3.27Å; F1057-I1061 WeakPolarHBondContact O-CG1 3.34Å; F1057-I1061 PolarHBondContact O-N 2.89Å
1058T86.1Confident91.4Very high90 Ų9064.7 Ų64.755%0.55233%0.33SS*.Hα-helixtrans-69.5-43.9175.8-32.40000110.4D1056 I1061 K1062D1056-T1058 VanDerWaalsContact C-N 3.27Å; D1056-T1058 PolarHBondContact O-N 2.83Å; D1056-T1058 VanDerWaalsContact OD1-CA 3.23Å; D1056-T1058 WeakPolarHBondContact OD1-CA 3.39Å; D1056-T1058 WeakPolarHBondContact OD1-CB 3.46Å; D1056-T1058 PolarHBondContact OD1-N 3.4Å; D1056-T1058 PolarHBondContact OD1-OG1 3.37Å; D1056-T1058 VanDerWaalsContact OD1-OG1 3.04Å; T1058-I1061 PolarHBondContact O-N 3.22Å; T1058-K1062 VanDerWaalsContact O-CB 3.25Å; T1058-K1062 WeakPolarHBondContact O-CB 3.48Å; T1058-K1062 PolarHBondContact O-N 2.7Å
1059D90.5Very high91.4Very high77 Ų7765.6 Ų65.641%0.41233%0.332SS..Hα-helixtrans-63.8-43.9175.9-67.8-40.3000111.4M1055 D1056 K1062 F1063M1055-D1059 HydrophobicContact CB-CB 3.86Å; M1055-D1059 HydrophobicContact CG-CB 4.2Å; D1056-D1059 PolarHBondContact N-OD2 2.84Å; D1056-D1059 PolarHBondContact O-N 3.12Å; D1056-D1059 PolarHBondContact OD1-N 3.01Å; D1059-K1062 PolarHBondContact O-N 3.14Å; D1059-F1063 WeakPolarHBondContact O-CB 3.33Å; D1059-F1063 PolarHBondContact O-N 2.9Å
1060I89.7Confident91.4Very high2 Ų268.7 Ų68.71%0.0134%0.344CS..Hα-helixtrans-62.1-47.4176-70.2166.9000110.6M987 F998 I1050 M1055 D1056 K1062 F1063 F1064M987-I1060 HydrophobicContact CE-CD1 4.3Å; F998-I1060 HydrophobicContact CD1-CG2 3.97Å; F998-I1060 HydrophobicContact CD2-CG2 4.11Å; F998-I1060 HydrophobicContact CE1-CG2 4.1Å; F998-I1060 HydrophobicContact CE2-CG2 4.23Å; F998-I1060 HydrophobicContact CG-CG2 3.98Å; F998-I1060 HydrophobicContact CZ-CG2 4.23Å; I1050-I1060 HydrophobicContact CG2-CD1 4.05Å; I1050-I1060 HydrophobicContact CG2-CG1 4.28Å; M1055-I1060 HydrophobicContact CB-CG1 3.89Å; D1056-I1060 WeakPolarHBondContact O-CB 3.35Å; D1056-I1060 VanDerWaalsContact O-CG1 3.29Å; D1056-I1060 WeakPolarHBondContact O-CG1 3.47Å; D1056-I1060 PolarHBondContact O-N 2.93Å; I1060-K1062 VanDerWaalsContact C-N 3.32Å; I1060-K1062 PolarHBondContact O-N 2.7Å; I1060-F1063 PolarHBondContact O-N 3.03Å; I1060-F1064 HydrophobicContact CG2-CD2 3.87Å; I1060-F1064 HydrophobicContact CG2-CE2 4.05Å; I1060-F1064 WeakPolarHBondContact O-CD2 3.33Å; I1060-F1064 PolarHBondContact O-N 3.39Å
1061I89.8Confident91.6Very high55 Ų5569.2 Ų69.228%0.28235%0.347SS..Hα-helixtrans-57.2-47.7174.1-77.7173.7000110.5F998 F1057 T1058 N1065F998-I1061 HydrophobicContact CB-CD1 4.41Å; F998-I1061 HydrophobicContact CB-CG1 3.55Å; F1057-I1061 HydrophobicContact CD1-CD1 3.91Å; F1057-I1061 HydrophobicContact CD2-CD1 4.44Å; F1057-I1061 HydrophobicContact CE1-CD1 3.43Å; F1057-I1061 VanDerWaalsContact CE1-CD1 3.43Å; F1057-I1061 HydrophobicContact CE2-CD1 4.01Å; F1057-I1061 HydrophobicContact CG-CD1 4.4Å; F1057-I1061 HydrophobicContact CZ-CD1 3.49Å; F1057-I1061 VanDerWaalsContact CZ-CD1 3.49Å; F1057-I1061 WeakPolarHBondContact O-CB 3.34Å; F1057-I1061 VanDerWaalsContact O-CG1 3.27Å; F1057-I1061 WeakPolarHBondContact O-CG1 3.34Å; F1057-I1061 PolarHBondContact O-N 2.89Å; T1058-I1061 PolarHBondContact O-N 3.22Å; I1061-N1065 WeakPolarHBondContact O-CB 3.37Å; I1061-N1065 PolarHBondContact O-N 3.27Å; I1061-N1065 PolarHBondContact O-ND2 3.16Å
1062K92.4Very high91.8Very high112 Ų11271.3 Ų71.349%0.48736%0.358SS..Hα-helixtrans-64.2-48.9-178.1-177.2-172.1164.6-162.70111T1058 D1059 I1060 F1064 N1065 E1066T1058-K1062 VanDerWaalsContact O-CB 3.25Å; T1058-K1062 WeakPolarHBondContact O-CB 3.48Å; T1058-K1062 PolarHBondContact O-N 2.7Å; D1059-K1062 PolarHBondContact O-N 3.14Å; I1060-K1062 VanDerWaalsContact C-N 3.32Å; I1060-K1062 PolarHBondContact O-N 2.7Å; K1062-F1064 PolarHBondContact O-N 3.01Å; K1062-N1065 PolarHBondContact O-N 3.42Å; K1062-N1065 VanDerWaalsContact O-N 3.15Å; K1062-E1066 VanDerWaalsContact CE-CD 3.43Å; K1062-E1066 WeakPolarHBondContact CE-OE1 3.13Å; K1062-E1066 WeakPolarHBondContact CE-OE2 3.47Å; K1062-E1066 HydrophobicContact CG-CG 4.44Å; K1062-E1066 IonicContact NZ-OE1 3.76Å; K1062-E1066 WeakPolarHBondContact O-CG 3.49Å; K1062-E1066 PolarHBondContact O-N 2.97Å
1063F94.1Very high91.8Very high32 Ų3263.5 Ų63.514%0.1432%0.322CS..Hα-helixtrans-55.4-50.1178.5172.8-99.9000111.8Y1046 I1049 M1055 D1059 I1060 N1065 E1066 M1067Y1046-F1063 HydrophobicContact CD1-CE1 4.16Å; Y1046-F1063 AromaticContact CD1-CZ 3.75Å; Y1046-F1063 HydrophobicContact CD1-CZ 3.75Å; Y1046-F1063 AromaticContact CD2-CE1 3.81Å; Y1046-F1063 HydrophobicContact CD2-CE1 3.81Å; Y1046-F1063 HydrophobicContact CD2-CZ 4.24Å; Y1046-F1063 HydrophobicContact CE1-CZ 4.36Å; Y1046-F1063 AromaticContact CG-CE1 3.61Å; Y1046-F1063 HydrophobicContact CG-CE1 3.61Å; Y1046-F1063 AromaticContact CG-CZ 3.68Å; Y1046-F1063 HydrophobicContact CG-CZ 3.68Å; I1049-F1063 HydrophobicContact CG2-CE2 4.37Å; M1055-F1063 HydrophobicContact CE-CD2 4.3Å; M1055-F1063 HydrophobicContact SD-CB 4.41Å; M1055-F1063 HydrophobicContact SD-CG 4.46Å; D1059-F1063 WeakPolarHBondContact O-CB 3.33Å; D1059-F1063 PolarHBondContact O-N 2.9Å; I1060-F1063 PolarHBondContact O-N 3.03Å; F1063-N1065 VanDerWaalsContact C-N 3.34Å; F1063-N1065 PolarHBondContact O-N 2.8Å; F1063-E1066 PolarHBondContact O-N 3.18Å; F1063-M1067 HydrophobicContact CD2-CG 4.2Å; F1063-M1067 HydrophobicContact CE1-CG 4.19Å; F1063-M1067 HydrophobicContact CE2-CG 3.81Å; F1063-M1067 HydrophobicContact CZ-CG 3.81Å; F1063-M1067 WeakPolarHBondContact O-CB 3.24Å; F1063-M1067 WeakPolarHBondContact O-CG 3.23Å; F1063-M1067 PolarHBondContact O-N 2.97Å
1064F93.9Very high91.9Very high4 Ų466.6 Ų66.62%0.01833%0.33CS..Hα-helixtrans-69-29.8178.4-80.9-70.8000113.4W1002 L1042 V1043 Y1046 I1050 I1060 K1062 A1068W1002-F1064 AromaticContact CH2-CD1 3.84Å; W1002-F1064 HydrophobicContact CH2-CD1 3.84Å; W1002-F1064 HydrophobicContact CH2-CD2 4.17Å; W1002-F1064 AromaticContact CH2-CE1 3.82Å; W1002-F1064 HydrophobicContact CH2-CE1 3.82Å; W1002-F1064 HydrophobicContact CH2-CE2 4.17Å; W1002-F1064 HydrophobicContact CH2-CG 4.03Å; W1002-F1064 HydrophobicContact CH2-CZ 4.01Å; W1002-F1064 HydrophobicContact CZ2-CB 3.96Å; W1002-F1064 AromaticContact CZ2-CD1 3.55Å; W1002-F1064 HydrophobicContact CZ2-CD1 3.55Å; W1002-F1064 HydrophobicContact CZ2-CD2 4.12Å; W1002-F1064 HydrophobicContact CZ2-CE1 4.02Å; W1002-F1064 AromaticContact CZ2-CG 3.61Å; W1002-F1064 HydrophobicContact CZ2-CG 3.61Å; L1042-F1064 HydrophobicContact CB-CE1 4.38Å; L1042-F1064 HydrophobicContact CD2-CE1 4.47Å; V1043-F1064 HydrophobicContact CG2-CE2 4.46Å; V1043-F1064 HydrophobicContact CG2-CZ 4.3Å; Y1046-F1064 AromaticContact CD2-CE1 3.58Å; Y1046-F1064 HydrophobicContact CD2-CE1 3.58Å; Y1046-F1064 AromaticContact CD2-CZ 3.84Å; Y1046-F1064 HydrophobicContact CD2-CZ 3.84Å; Y1046-F1064 AromaticContact CE2-CE1 3.86Å; Y1046-F1064 HydrophobicContact CE2-CE1 3.86Å; I1050-F1064 HydrophobicContact CD1-CE2 4.29Å; I1060-F1064 HydrophobicContact CG2-CD2 3.87Å; I1060-F1064 HydrophobicContact CG2-CE2 4.05Å; I1060-F1064 WeakPolarHBondContact O-CD2 3.33Å; I1060-F1064 PolarHBondContact O-N 3.39Å; K1062-F1064 PolarHBondContact O-N 3.01Å; F1064-A1068 PolarHBondContact O-N 3.36Å
1065N92.7Very high92.2Very high76 Ų7666.8 Ų66.841%0.40633%0.328SS..Hα-helixtrans-70.2-34170.4-80.8-70.7000113.1R1001 I1061 K1062 F1063R1001-N1065 VanDerWaalsContact CZ-OD1 3.31Å; R1001-N1065 PolarHBondContact NH1-OD1 3.15Å; R1001-N1065 PolarHBondContact NH2-OD1 3.12Å; I1061-N1065 WeakPolarHBondContact O-CB 3.37Å; I1061-N1065 PolarHBondContact O-N 3.27Å; I1061-N1065 PolarHBondContact O-ND2 3.16Å; K1062-N1065 PolarHBondContact O-N 3.42Å; K1062-N1065 VanDerWaalsContact O-N 3.15Å; F1063-N1065 VanDerWaalsContact C-N 3.34Å; F1063-N1065 PolarHBondContact O-N 2.8Å
1066E95Very high92.6Very high122 Ų12265.7 Ų65.757%0.5732%0.323SS*.Hα-helixtrans-77.7-21.9175.5-71.6177.916800112.6K1062 F1063K1062-E1066 VanDerWaalsContact CE-CD 3.43Å; K1062-E1066 WeakPolarHBondContact CE-OE1 3.13Å; K1062-E1066 WeakPolarHBondContact CE-OE2 3.47Å; K1062-E1066 HydrophobicContact CG-CG 4.44Å; K1062-E1066 IonicContact NZ-OE1 3.76Å; K1062-E1066 WeakPolarHBondContact O-CG 3.49Å; K1062-E1066 PolarHBondContact O-N 2.97Å; F1063-E1066 PolarHBondContact O-N 3.18Å
1067M94.6Very high93.2Very high46 Ų4663.1 Ų63.123%0.22731%0.309CS..SBendtrans-94.9-0.8176.7-73.6-63.1-55.600114.6Y1046 F1063 H1070 H1071Y1046-M1067 HydrophobicContact CE1-CE 4.01Å; F1063-M1067 HydrophobicContact CD2-CG 4.2Å; F1063-M1067 HydrophobicContact CE1-CG 4.19Å; F1063-M1067 HydrophobicContact CE2-CG 3.81Å; F1063-M1067 HydrophobicContact CZ-CG 3.81Å; F1063-M1067 WeakPolarHBondContact O-CB 3.24Å; F1063-M1067 WeakPolarHBondContact O-CG 3.23Å; F1063-M1067 PolarHBondContact O-N 2.97Å; M1067-H1070 HydrophobicContact CE-CB 4.12Å; M1067-H1070 WeakPolarHBondContact O-CB 3.42Å; M1067-H1070 PolarHBondContact O-N 2.76Å; M1067-H1070 VanDerWaalsContact O-N 3.09Å; M1067-H1071 PolarHBondContact O-CE1 3.15Å; M1067-H1071 PolarHBondContact O-ND1 3.27Å
1068A94.1Very high93.9Very high23 Ų2363.8 Ų63.819%0.1932%0.318CS..THydrogen-bonded Turntrans-58142.9175.200000111.2F1064 H1070F1064-A1068 PolarHBondContact O-N 3.36Å; A1068-H1070 PolarHBondContact O-N 3.03Å; A1068-H1070 VanDerWaalsContact O-N 3.14Å
1069E95.1Very high94.4Very high117 Ų11761.2 Ų61.255%0.54730%0.3SS..THydrogen-bonded Turntrans61.110.1-172.6-60-176.3-165.500114.6E1010 V1012E1010-E1069 PolarHBondContact O-N 2.96Å; V1012-E1069 HydrophobicContact CG1-CB 3.78Å; V1012-E1069 HydrophobicContact CG1-CG 4.02Å
1070H95.4Very high94.7Very high139 Ų13957.5 Ų57.564%0.64428%0.281SS*.  trans-122.918.1-178.9-61.1-18.4000113.7M1067 A1068M1067-H1070 HydrophobicContact CE-CB 4.12Å; M1067-H1070 WeakPolarHBondContact O-CB 3.42Å; M1067-H1070 PolarHBondContact O-N 2.76Å; M1067-H1070 VanDerWaalsContact O-N 3.09Å; A1068-H1070 PolarHBondContact O-N 3.03Å; A1068-H1070 VanDerWaalsContact O-N 3.14Å
1071H95.2Very high95.1Very high10 Ų1059 Ų595%0.04629%0.286CS..  trans-87.5137.8-177.4-63.6-20000113.3L1011 L1042 Y1046 M1067 I1073 I1076L1011-H1071 HydrophobicContact CD2-CB 4.17Å; L1042-H1071 HydrophobicContact CD2-CB 4.38Å; L1042-H1071 WeakPolarHBondContact CD2-CD2 3.19Å; Y1046-H1071 PolarHBondContact OH-ND1 2.8Å; M1067-H1071 PolarHBondContact O-CE1 3.15Å; M1067-H1071 PolarHBondContact O-ND1 3.27Å; H1071-I1073 PolarHBondContact O-N 2.99Å; H1071-I1073 VanDerWaalsContact O-N 3.09Å; H1071-I1076 HydrophobicContact CB-CD1 3.76Å
1072N95.5Very high95.3Very high83 Ų8360.4 Ų60.444%0.44429%0.294SS..  trans-80.986.2173.4-178.10.4000111.3K1074 Q1075 I1076N1072-K1074 VanDerWaalsContact C-N 3.32Å; N1072-K1074 PolarHBondContact O-N 3.11Å; N1072-Q1075 HydrophobicContact CB-CB 4.14Å; N1072-Q1075 WeakPolarHBondContact ND2-CB 3.11Å; N1072-Q1075 PolarHBondContact ND2-OE1 2.89Å; N1072-Q1075 WeakPolarHBondContact O-CB 3.16Å; N1072-Q1075 PolarHBondContact O-N 3.31Å; N1072-Q1075 VanDerWaalsContact O-N 3.12Å; N1072-Q1075 PolarHBondContact OD1-N 3.45Å; N1072-I1076 WeakPolarHBondContact O-CG1 3.13Å; N1072-I1076 PolarHBondContact O-N 3.22Å
1073I95.6Very high95.4Very high4 Ų455 Ų552%0.02127%0.271CS..Hα-helixtrans-65.3-29-172.7-81.1-56.7000114.5L1011 D1015 V1019 H1071 Q1075 I1076 L1077L1011-I1073 HydrophobicContact CD1-CD1 4.07Å; L1011-I1073 HydrophobicContact CD1-CG1 4.34Å; L1011-I1073 HydrophobicContact CD2-CD1 3.5Å; L1011-I1073 HydrophobicContact CD2-CG1 3.54Å; L1011-I1073 HydrophobicContact CG-CD1 4.45Å; D1015-I1073 HydrophobicContact CB-CB 4.18Å; D1015-I1073 HydrophobicContact CB-CG1 3.9Å; D1015-I1073 HydrophobicContact CB-CG2 4.29Å; D1015-I1073 WeakPolarHBondContact OD1-CB 3.42Å; V1019-I1073 HydrophobicContact CG2-CD1 3.88Å; V1019-I1073 HydrophobicContact CG2-CG1 4.3Å; V1019-I1073 HydrophobicContact CG2-CG2 3.75Å; H1071-I1073 PolarHBondContact O-N 2.99Å; H1071-I1073 VanDerWaalsContact O-N 3.09Å; I1073-Q1075 VanDerWaalsContact C-N 3.31Å; I1073-Q1075 PolarHBondContact O-N 3.02Å; I1073-I1076 HydrophobicContact CD1-CB 4.18Å; I1073-I1076 HydrophobicContact CD1-CD1 3.9Å; I1073-I1076 HydrophobicContact CD1-CG2 4.23Å; I1073-I1076 PolarHBondContact O-N 3.41Å; I1073-L1077 HydrophobicContact CG2-CD1 3.73Å; I1073-L1077 HydrophobicContact CG2-CG 4.08Å; I1073-L1077 WeakPolarHBondContact O-CB 3.28Å; I1073-L1077 WeakPolarHBondContact O-CG 3.41Å; I1073-L1077 PolarHBondContact O-N 3.02Å
1074K94.1Very high95.5Very high168 Ų16853.5 Ų53.573%0.7326%0.264SS*.Hα-helixtrans-64.7-37.6174-64-172.8-179.8-174.40111.8N1072 T1078N1072-K1074 VanDerWaalsContact C-N 3.32Å; N1072-K1074 PolarHBondContact O-N 3.11Å; K1074-T1078 WeakPolarHBondContact O-CB 3.49Å; K1074-T1078 PolarHBondContact O-N 3.33Å; K1074-T1078 PolarHBondContact O-OG1 3.28Å
1075Q96.6Very high95.4Very high98 Ų9855.6 Ų55.646%0.45828%0.279SS..Hα-helixtrans-70.8-45.9173.9179.7178.4-6.500111.5V1045 N1072 I1073 T1078 L1079V1045-Q1075 HydrophobicContact CG2-CG 4.22Å; N1072-Q1075 HydrophobicContact CB-CB 4.14Å; N1072-Q1075 WeakPolarHBondContact ND2-CB 3.11Å; N1072-Q1075 PolarHBondContact ND2-OE1 2.89Å; N1072-Q1075 WeakPolarHBondContact O-CB 3.16Å; N1072-Q1075 PolarHBondContact O-N 3.31Å; N1072-Q1075 VanDerWaalsContact O-N 3.12Å; N1072-Q1075 PolarHBondContact OD1-N 3.45Å; I1073-Q1075 VanDerWaalsContact C-N 3.31Å; I1073-Q1075 PolarHBondContact O-N 3.02Å; Q1075-T1078 PolarHBondContact O-N 2.9Å; Q1075-L1079 WeakPolarHBondContact O-CB 3.42Å; Q1075-L1079 PolarHBondContact O-N 3.18Å
1076I97.8Very high95.3Very high0 Ų056.5 Ų56.50%028%0.279CS..Hα-helixtrans-62.5-46.6-179.7-68.9157.6000111.4I1038 A1041 L1042 V1045 H1071 N1072 I1073 T1078 L1079 A1080I1038-I1076 HydrophobicContact CG2-CG2 4.06Å; A1041-I1076 HydrophobicContact CB-CG2 3.94Å; A1041-I1076 WeakPolarHBondContact CB-O 3.15Å; L1042-I1076 HydrophobicContact CD2-CD1 3.52Å; L1042-I1076 HydrophobicContact CD2-CG1 4.37Å; L1042-I1076 HydrophobicContact CG-CD1 4.1Å; L1042-I1076 HydrophobicContact CG-CG2 4.16Å; V1045-I1076 HydrophobicContact CG2-CG1 4.04Å; H1071-I1076 HydrophobicContact CB-CD1 3.76Å; N1072-I1076 WeakPolarHBondContact O-CG1 3.13Å; N1072-I1076 PolarHBondContact O-N 3.22Å; I1073-I1076 HydrophobicContact CD1-CB 4.18Å; I1073-I1076 HydrophobicContact CD1-CD1 3.9Å; I1073-I1076 HydrophobicContact CD1-CG2 4.23Å; I1073-I1076 PolarHBondContact O-N 3.41Å; I1076-T1078 VanDerWaalsContact C-N 3.32Å; I1076-T1078 PolarHBondContact O-N 3.23Å; I1076-L1079 PolarHBondContact O-N 3.06Å; I1076-A1080 VanDerWaalsContact O-CB 3.31Å; I1076-A1080 WeakPolarHBondContact O-CB 3.44Å; I1076-A1080 PolarHBondContact O-N 3.14Å
1077L97.1Very high95Very high9 Ų950.7 Ų50.75%0.04725%0.252CS..Hα-helixtrans-65.5-34.1176.7-71.3176.9000112.2V1019 T1022 F1034 I1038 I1073 R1081V1019-L1077 HydrophobicContact CG2-CD1 4.21Å; V1019-L1077 HydrophobicContact CG2-CD2 4.17Å; V1019-L1077 HydrophobicContact CG2-CG 4.34Å; T1022-L1077 HydrophobicContact CG2-CD2 4.11Å; F1034-L1077 HydrophobicContact CE1-CD2 4.23Å; I1038-L1077 HydrophobicContact CD1-CD2 3.98Å; I1038-L1077 HydrophobicContact CG1-CD2 4.26Å; I1073-L1077 HydrophobicContact CG2-CD1 3.73Å; I1073-L1077 HydrophobicContact CG2-CG 4.08Å; I1073-L1077 WeakPolarHBondContact O-CB 3.28Å; I1073-L1077 WeakPolarHBondContact O-CG 3.41Å; I1073-L1077 PolarHBondContact O-N 3.02Å; L1077-R1081 VanDerWaalsContact O-CG 3.32Å; L1077-R1081 WeakPolarHBondContact O-CG 3.43Å; L1077-R1081 PolarHBondContact O-N 2.89Å; L1077-R1081 PolarHBondContact O-NH1 3.49Å
1078T96Very high94.8Very high73 Ų7349 Ų4945%0.44824%0.244SC..Hα-helixtrans-64.7-51.4173.5-570000110.6K1074 Q1075 I1076 A1080 R1081 D1082K1074-T1078 WeakPolarHBondContact O-CB 3.49Å; K1074-T1078 PolarHBondContact O-N 3.33Å; K1074-T1078 PolarHBondContact O-OG1 3.28Å; Q1075-T1078 PolarHBondContact O-N 2.9Å; I1076-T1078 VanDerWaalsContact C-N 3.32Å; I1076-T1078 PolarHBondContact O-N 3.23Å; T1078-A1080 VanDerWaalsContact C-N 3.33Å; T1078-A1080 PolarHBondContact O-N 3.06Å; T1078-R1081 PolarHBondContact O-N 3.28Å; T1078-R1081 VanDerWaalsContact O-N 3.11Å; T1078-D1082 PolarHBondContact O-N 3.43Å
1079L97.2Very high94.3Very high35 Ų3551.7 Ų51.718%0.18325%0.253CS..Hα-helixtrans-63.1-36.1179.7-17760000112.6A1041 E1044 V1045 Q1075 I1076 R1081 D1082 L1083A1041-L1079 HydrophobicContact CB-CB 4.05Å; A1041-L1079 HydrophobicContact CB-CD2 4.18Å; A1041-L1079 HydrophobicContact CB-CG 4.05Å; E1044-L1079 HydrophobicContact CB-CD2 3.76Å; V1045-L1079 HydrophobicContact CG2-CD2 3.88Å; Q1075-L1079 WeakPolarHBondContact O-CB 3.42Å; Q1075-L1079 PolarHBondContact O-N 3.18Å; I1076-L1079 PolarHBondContact O-N 3.06Å; L1079-R1081 VanDerWaalsContact C-N 3.34Å; L1079-R1081 PolarHBondContact O-N 3.36Å; L1079-D1082 PolarHBondContact O-N 2.93Å; L1079-L1083 HydrophobicContact CD1-CD1 4.39Å; L1079-L1083 HydrophobicContact CD1-CG 4.33Å; L1079-L1083 HydrophobicContact CG-CD1 3.93Å; L1079-L1083 HydrophobicContact CG-CG 4.36Å; L1079-L1083 WeakPolarHBondContact O-CB 3.39Å; L1079-L1083 WeakPolarHBondContact O-CD1 3.47Å; L1079-L1083 WeakPolarHBondContact O-CG 3.5Å; L1079-L1083 PolarHBondContact O-N 3.43Å
1080A97.8Very high93.6Very high0 Ų049.3 Ų49.30%024%0.244CC..Hα-helixtrans-61-40.1173.900000112.4F1034 F1037 I1038 A1041 I1076 T1078 L1083 V1084F1034-A1080 HydrophobicContact CE1-CB 4.36Å; F1034-A1080 HydrophobicContact CE2-CB 4.17Å; F1034-A1080 HydrophobicContact CZ-CB 3.7Å; F1037-A1080 HydrophobicContact CB-CB 4.27Å; F1037-A1080 WeakPolarHBondContact O-CB 3.38Å; I1038-A1080 HydrophobicContact CG1-CB 4.15Å; A1041-A1080 HydrophobicContact CB-CB 3.98Å; I1076-A1080 VanDerWaalsContact O-CB 3.31Å; I1076-A1080 WeakPolarHBondContact O-CB 3.44Å; I1076-A1080 PolarHBondContact O-N 3.14Å; T1078-A1080 VanDerWaalsContact C-N 3.33Å; T1078-A1080 PolarHBondContact O-N 3.06Å; A1080-L1083 PolarHBondContact O-N 3.36Å; A1080-V1084 WeakPolarHBondContact O-CG2 3.34Å; A1080-V1084 PolarHBondContact O-N 3.48Å
1081R96.2Very high92.9Very high33 Ų3343 Ų4313%0.12522%0.215CC..Hα-helixtrans-67.8-41.5174-62-179.2-162.6102.8-8.4111.4Y559 F560 F1034 L1077 T1078 L1079 L1083 V1084 C1085Y559-R1081 HydrophobicContact CE1-CG 4.16Å; Y559-R1081 HydrophobicContact CE2-CG 4.26Å; Y559-R1081 PolarHBondContact O-NE 3.35Å; Y559-R1081 PolarHBondContact O-NH2 2.97Å; Y559-R1081 WeakPolarHBondContact OH-CG 3.31Å; F560-R1081 PolarHBondContact O-NH2 3.43Å; F1034-R1081 HydrophobicContact CE2-CG 4.33Å; F1034-R1081 HydrophobicContact CZ-CG 4.04Å; L1077-R1081 VanDerWaalsContact O-CG 3.32Å; L1077-R1081 WeakPolarHBondContact O-CG 3.43Å; L1077-R1081 PolarHBondContact O-N 2.89Å; L1077-R1081 PolarHBondContact O-NH1 3.49Å; T1078-R1081 PolarHBondContact O-N 3.28Å; T1078-R1081 VanDerWaalsContact O-N 3.11Å; L1079-R1081 VanDerWaalsContact C-N 3.34Å; L1079-R1081 PolarHBondContact O-N 3.36Å; R1081-L1083 VanDerWaalsContact C-N 3.32Å; R1081-L1083 PolarHBondContact O-N 3.34Å; R1081-V1084 PolarHBondContact O-N 3Å; R1081-C1085 WeakPolarHBondContact O-CB 3.46Å; R1081-C1085 PolarHBondContact O-N 3.47Å
1082D95.2Very high91.7Very high84 Ų8447.7 Ų47.745%0.44924%0.237SC..Hα-helixtrans-61.8-38.9174.9-69.1-23.5000112.1T1078 L1079 C1085 K1086T1078-D1082 PolarHBondContact O-N 3.43Å; L1079-D1082 PolarHBondContact O-N 2.93Å; D1082-C1085 PolarHBondContact O-N 3.49Å; D1082-K1086 VanDerWaalsContact O-CG 3.3Å; D1082-K1086 WeakPolarHBondContact O-CG 3.36Å; D1082-K1086 PolarHBondContact O-N 2.96Å
1083L95.3Very high90Very high0 Ų048.8 Ų48.80%024%0.242CC..Hα-helixtrans-67.5-39.7176.6-71.8161.4000112.2L979 F1037 L1040 A1041 L1079 A1080 R1081 K1086 V1087L979-L1083 HydrophobicContact CD1-CD2 4.31Å; F1037-L1083 HydrophobicContact CD1-CB 3.97Å; L1040-L1083 HydrophobicContact CB-CD1 4.13Å; L1040-L1083 HydrophobicContact CD2-CB 4.46Å; L1040-L1083 HydrophobicContact CD2-CD1 3.95Å; L1040-L1083 HydrophobicContact CD2-CD2 3.84Å; L1040-L1083 HydrophobicContact CD2-CG 4.31Å; L1040-L1083 HydrophobicContact CG-CD1 3.78Å; L1040-L1083 HydrophobicContact CG-CD2 4.3Å; A1041-L1083 HydrophobicContact CB-CD1 3.99Å; L1079-L1083 HydrophobicContact CD1-CD1 4.39Å; L1079-L1083 HydrophobicContact CD1-CG 4.33Å; L1079-L1083 HydrophobicContact CG-CD1 3.93Å; L1079-L1083 HydrophobicContact CG-CG 4.36Å; L1079-L1083 WeakPolarHBondContact O-CB 3.39Å; L1079-L1083 WeakPolarHBondContact O-CD1 3.47Å; L1079-L1083 WeakPolarHBondContact O-CG 3.5Å; L1079-L1083 PolarHBondContact O-N 3.43Å; A1080-L1083 PolarHBondContact O-N 3.36Å; R1081-L1083 VanDerWaalsContact C-N 3.32Å; R1081-L1083 PolarHBondContact O-N 3.34Å; L1083-K1086 HydrophobicContact CD2-CD 4.15Å; L1083-K1086 PolarHBondContact O-N 3.03Å; L1083-V1087 WeakPolarHBondContact O-CG2 3.46Å; L1083-V1087 PolarHBondContact O-N 2.96Å; L1083-V1087 VanDerWaalsContact O-N 3.13Å
1084V94.8Very high87.7Confident0 Ų058.6 Ų58.60%029%0.285CS..Hα-helixtrans-60.5-47.2169.8172.40000110.6V517 F1034 F1037 A1080 R1081 K1086 V1087 Q1088V517-V1084 HydrophobicContact CB-CG1 4.36Å; V517-V1084 HydrophobicContact CG1-CG1 3.89Å; F1034-V1084 HydrophobicContact CD2-CG2 3.87Å; F1034-V1084 HydrophobicContact CE2-CG2 3.89Å; F1037-V1084 HydrophobicContact CB-CG2 3.91Å; F1037-V1084 HydrophobicContact CD1-CB 4.35Å; F1037-V1084 HydrophobicContact CD1-CG2 3.51Å; F1037-V1084 HydrophobicContact CD2-CG2 3.65Å; F1037-V1084 HydrophobicContact CE1-CB 4.45Å; F1037-V1084 HydrophobicContact CE1-CG2 3.86Å; F1037-V1084 HydrophobicContact CE2-CG2 4Å; F1037-V1084 HydrophobicContact CG-CG2 3.39Å; F1037-V1084 HydrophobicContact CZ-CG2 4.1Å; A1080-V1084 WeakPolarHBondContact O-CG2 3.34Å; A1080-V1084 PolarHBondContact O-N 3.48Å; R1081-V1084 PolarHBondContact O-N 3Å; V1084-K1086 PolarHBondContact O-N 2.78Å; V1084-V1087 PolarHBondContact O-N 3.32Å; V1084-V1087 VanDerWaalsContact O-N 3.12Å; V1084-Q1088 HydrophobicContact CG1-CG 4.23Å; V1084-Q1088 WeakPolarHBondContact O-CG 3.39Å; V1084-Q1088 PolarHBondContact O-N 3.41Å
1085C92.2Very high87.4Confident47 Ų4753.1 Ų53.132%0.31826%0.263SS..Hα-helixtrans-61.7-42.9179.4-171.10000112.1R1081 D1082 V1087 Q1088 M1089R1081-C1085 WeakPolarHBondContact O-CB 3.46Å; R1081-C1085 PolarHBondContact O-N 3.47Å; D1082-C1085 PolarHBondContact O-N 3.49Å; C1085-V1087 VanDerWaalsContact C-N 3.31Å; C1085-V1087 PolarHBondContact O-N 3.01Å; C1085-Q1088 PolarHBondContact O-N 2.96Å; C1085-M1089 WeakPolarHBondContact O-CB 3.44Å; C1085-M1089 VanDerWaalsContact O-CG 3.32Å; C1085-M1089 WeakPolarHBondContact O-CG 3.25Å; C1085-M1089 PolarHBondContact O-N 3.35Å
1086K90.3Very high86.9Confident96 Ų9650.7 Ų50.742%0.41725%0.252SS..Hα-helixtrans-53.8-46.5171.7-73.9170.1-172.2174.20111.3D1082 L1083 V1084 M1089 L1090D1082-K1086 VanDerWaalsContact O-CG 3.3Å; D1082-K1086 WeakPolarHBondContact O-CG 3.36Å; D1082-K1086 PolarHBondContact O-N 2.96Å; L1083-K1086 HydrophobicContact CD2-CD 4.15Å; L1083-K1086 PolarHBondContact O-N 3.03Å; V1084-K1086 PolarHBondContact O-N 2.78Å; K1086-M1089 PolarHBondContact O-N 2.9Å; K1086-L1090 VanDerWaalsContact O-CG 3.31Å; K1086-L1090 WeakPolarHBondContact O-CG 3.32Å; K1086-L1090 PolarHBondContact O-N 2.88Å
1087V89.8Confident86.3Confident0 Ų053.6 Ų53.60%027%0.266CS..Hα-helixtrans-67.7-42.6179.1172.40000112.1L513 V517 L975 L979 F1037 L1083 V1084 C1085 M1089 L1090 I1091L513-V1087 HydrophobicContact CB-CG1 3.91Å; L513-V1087 HydrophobicContact CD1-CG1 4.06Å; L513-V1087 HydrophobicContact CD1-CG2 4.36Å; L513-V1087 HydrophobicContact CG-CG1 4.47Å; V517-V1087 HydrophobicContact CG1-CB 4.23Å; V517-V1087 HydrophobicContact CG1-CG1 3.86Å; V517-V1087 HydrophobicContact CG2-CG1 3.94Å; L975-V1087 HydrophobicContact CD2-CG2 4.07Å; L979-V1087 HydrophobicContact CD1-CG2 3.95Å; L979-V1087 HydrophobicContact CD2-CG2 4.27Å; F1037-V1087 HydrophobicContact CE1-CB 4.37Å; F1037-V1087 HydrophobicContact CE1-CG2 3.96Å; F1037-V1087 HydrophobicContact CZ-CG2 4.49Å; L1083-V1087 WeakPolarHBondContact O-CG2 3.46Å; L1083-V1087 PolarHBondContact O-N 2.96Å; L1083-V1087 VanDerWaalsContact O-N 3.13Å; V1084-V1087 PolarHBondContact O-N 3.32Å; V1084-V1087 VanDerWaalsContact O-N 3.12Å; C1085-V1087 VanDerWaalsContact C-N 3.31Å; C1085-V1087 PolarHBondContact O-N 3.01Å; V1087-M1089 PolarHBondContact O-N 3.42Å; V1087-L1090 PolarHBondContact O-N 3.25Å; V1087-I1091 HydrophobicContact CG1-CD1 3.84Å; V1087-I1091 WeakPolarHBondContact O-CD1 3.48Å; V1087-I1091 WeakPolarHBondContact O-CG1 3.17Å; V1087-I1091 PolarHBondContact O-N 3.43Å; V1087-I1091 VanDerWaalsContact O-N 3.12Å
1088Q88.8Confident85.7Confident11 Ų1156.2 Ų56.25%0.05128%0.279CS..Hα-helixtrans-57.3-49173.9-69.5174.4-47.800111.1V517 N518 A520 I521 V1084 C1085 L1090 I1091 E1092V517-Q1088 HydrophobicContact CB-CG 3.96Å; V517-Q1088 HydrophobicContact CG2-CG 3.77Å; N518-Q1088 PolarHBondContact O-NE2 3.2Å; A520-Q1088 PolarHBondContact O-NE2 2.93Å; A520-Q1088 VanDerWaalsContact O-NE2 3.14Å; I521-Q1088 HydrophobicContact CD1-CB 4.02Å; I521-Q1088 HydrophobicContact CG1-CB 3.87Å; I521-Q1088 HydrophobicContact CG1-CG 4.43Å; V1084-Q1088 HydrophobicContact CG1-CG 4.23Å; V1084-Q1088 WeakPolarHBondContact O-CG 3.39Å; V1084-Q1088 PolarHBondContact O-N 3.41Å; C1085-Q1088 PolarHBondContact O-N 2.96Å; Q1088-L1090 VanDerWaalsContact C-N 3.33Å; Q1088-L1090 PolarHBondContact O-N 3.2Å; Q1088-I1091 WeakPolarHBondContact O-CB 3.41Å; Q1088-I1091 PolarHBondContact O-N 3.47Å; Q1088-E1092 PolarHBondContact O-N 3.19Å
1089M84.8Confident85.1Confident78 Ų7855.1 Ų55.138%0.38427%0.269SS..Hα-helixtrans-61.4-36.3176.9-68.8-57.7-5100112.9I521 C1085 K1086 V1087 I1091 E1092 N1093I521-M1089 HydrophobicContact CD1-CG 4.32Å; I521-M1089 HydrophobicContact CD1-SD 3.53Å; I521-M1089 VanDerWaalsContact CD1-SD 3.53Å; C1085-M1089 WeakPolarHBondContact O-CB 3.44Å; C1085-M1089 VanDerWaalsContact O-CG 3.32Å; C1085-M1089 WeakPolarHBondContact O-CG 3.25Å; C1085-M1089 PolarHBondContact O-N 3.35Å; K1086-M1089 PolarHBondContact O-N 2.9Å; V1087-M1089 PolarHBondContact O-N 3.42Å; M1089-I1091 VanDerWaalsContact C-N 3.28Å; M1089-I1091 PolarHBondContact O-N 3.42Å; M1089-E1092 PolarHBondContact O-N 2.7Å; M1089-N1093 PolarHBondContact O-N 2.91Å; M1089-N1093 VanDerWaalsContact O-N 3.16Å; M1089-N1093 PolarHBondContact O-ND2 3.38Å
1090L80.9Confident84.2Confident67 Ų6756.5 Ų56.535%0.35127%0.274SS..Hα-helixtrans-65.1-31.1174.3-74.9168.8000112.6R510 L979 K1086 V1087 Q1088R510-L1090 WeakPolarHBondContact CD-O 3.41Å; R510-L1090 PolarHBondContact NE-O 3.13Å; L979-L1090 HydrophobicContact CD2-CD1 4.03Å; K1086-L1090 VanDerWaalsContact O-CG 3.31Å; K1086-L1090 WeakPolarHBondContact O-CG 3.32Å; K1086-L1090 PolarHBondContact O-N 2.88Å; V1087-L1090 PolarHBondContact O-N 3.25Å; Q1088-L1090 VanDerWaalsContact C-N 3.33Å; Q1088-L1090 PolarHBondContact O-N 3.2Å
1091I79.3Confident83.3Confident7 Ų760.5 Ų60.54%0.03629%0.294CS..Hα-helixtrans-79.8-37.6177.5-65.4157.5000111.7L513 V517 V1087 Q1088 M1089 K1094L513-I1091 HydrophobicContact CB-CD1 4.37Å; V517-I1091 HydrophobicContact CG2-CD1 3.47Å; V517-I1091 VanDerWaalsContact CG2-CD1 3.47Å; V1087-I1091 HydrophobicContact CG1-CD1 3.84Å; V1087-I1091 WeakPolarHBondContact O-CD1 3.48Å; V1087-I1091 WeakPolarHBondContact O-CG1 3.17Å; V1087-I1091 PolarHBondContact O-N 3.43Å; V1087-I1091 VanDerWaalsContact O-N 3.12Å; Q1088-I1091 WeakPolarHBondContact O-CB 3.41Å; Q1088-I1091 PolarHBondContact O-N 3.47Å; M1089-I1091 VanDerWaalsContact C-N 3.28Å; M1089-I1091 PolarHBondContact O-N 3.42Å; I1091-K1094 VanDerWaalsContact O-CE 3.25Å; I1091-K1094 WeakPolarHBondContact O-CE 3.5Å; I1091-K1094 WeakPolarHBondContact O-CG 3.48Å
1092E71.3Confident82.3Confident108 Ų10862.6 Ų62.651%0.50531%0.307SS..Hα-helixtrans-70.9-35.5179.1-73-165.1156.500113.7Q1088 M1089 K1094Q1088-E1092 PolarHBondContact O-N 3.19Å; M1089-E1092 PolarHBondContact O-N 2.7Å; E1092-K1094 PolarHBondContact O-N 3.19Å
1093N58.5Low81.2Confident106 Ų10660.8 Ų60.857%0.56730%0.295SS*.  trans-7370.7178.3-79.8-78.1000111.8R510 M1089R510-N1093 PolarHBondContact NH2-O 3.19Å; M1089-N1093 PolarHBondContact O-N 2.91Å; M1089-N1093 VanDerWaalsContact O-N 3.16Å; M1089-N1093 PolarHBondContact O-ND2 3.38Å
1094K48.9Very low79.9Confident210 Ų21066.4 Ų66.491%0.91332%0.322SS*.  trans-82.10-179.2-65.6-178.7179173.60113.1I1091 E1092I1091-K1094 VanDerWaalsContact O-CE 3.25Å; I1091-K1094 WeakPolarHBondContact O-CE 3.5Å; I1091-K1094 WeakPolarHBondContact O-CG 3.48Å; E1092-K1094 PolarHBondContact O-N 3.19Å

Retrieved 1,094 of 1,094 residues in 957 ms (Link to these results)

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