A0A087X2M1_POEFO Loading...

Nucleolar GTP-binding protein 1

Involved in the biogenesis of the 60S ribosomal subunit.

AlphaFold DB , UniProt , Accession A0A087X2M1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 634 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.8Very low77.9Confident192 Ų19295.4 Ų95.495%0.94649%0.485SS*.  0136.30-72.7174.9-169.900106.9L3 N167M1-L3 PolarHBondContact O-N 3.34Å; M1-N167 HydrophobicContact SD-CB 4.34Å
2A47.4Very low79.4Confident78 Ų7887.7 Ų87.765%0.64545%0.446SS*.  trans-67108.4-177.300000109Y4A2-Y4 PolarHBondContact O-N 3.34Å; A2-Y4 VanDerWaalsContact O-N 3.15Å
3L63.3Low80.6Confident117 Ų11782.7 Ų82.761%0.61342%0.423SS*.  trans-60.7112.7157.1-96.5138.8000106.1M1 N5M1-L3 PolarHBondContact O-N 3.34Å; L3-N5 PolarHBondContact O-N 3.15Å
4Y71.8Confident81.7Confident72 Ų7281.4 Ų81.428%0.28242%0.421SS..  trans-67.8107.2179.2-58.7-75000108.2A2 I75 H76 Y79A2-Y4 PolarHBondContact O-N 3.34Å; A2-Y4 VanDerWaalsContact O-N 3.15Å; Y4-I75 HydrophobicContact CD1-CD1 3.9Å; Y4-I75 HydrophobicContact CD1-CG1 3.93Å; Y4-I75 HydrophobicContact CD2-CG1 4.47Å; Y4-I75 HydrophobicContact CE1-CD1 4.09Å; Y4-I75 HydrophobicContact CE1-CG1 3.58Å; Y4-I75 HydrophobicContact CE2-CG1 4.15Å; Y4-I75 HydrophobicContact CG-CD1 4.17Å; Y4-I75 HydrophobicContact CG-CG1 4.36Å; Y4-H76 HydrophobicContact CE2-CB 3.97Å; Y4-H76 PolarHBondContact OH-N 3.42Å; Y4-Y79 AromaticContact CD2-CD2 3.52Å; Y4-Y79 HydrophobicContact CD2-CD2 3.52Å; Y4-Y79 AromaticContact CD2-CE2 3.52Å; Y4-Y79 HydrophobicContact CD2-CE2 3.52Å; Y4-Y79 AromaticContact CE2-CD2 3.94Å; Y4-Y79 HydrophobicContact CE2-CD2 3.94Å; Y4-Y79 HydrophobicContact CE2-CE2 4.25Å; Y4-Y79 HydrophobicContact CG-CD2 4.3Å; Y4-Y79 HydrophobicContact CG-CE2 4.33Å
5N78.9Confident82.7Confident84 Ų8476.4 Ų76.445%0.44940%0.396SS..  trans-104.994.4177.3-174.3-9000109.4L3 K7L3-N5 PolarHBondContact O-N 3.15Å; N5-K7 PolarHBondContact O-N 2.95Å; N5-K7 VanDerWaalsContact OD1-CB 3.28Å; N5-K7 WeakPolarHBondContact OD1-CB 3.42Å; N5-K7 PolarHBondContact OD1-N 3.24Å
6F86.9Confident83.5Confident17 Ų1781.4 Ų81.48%0.07541%0.414CS..G310 helixtrans-73.3-7.1-179.9-55.9-50.3000114.2K8 I9 P70 I75 Y79 L158F6-K8 PolarHBondContact O-N 3.12Å; F6-I9 WeakPolarHBondContact O-CG1 3.41Å; F6-P70 HydrophobicContact CD1-CG 4.29Å; F6-P70 HydrophobicContact CE1-CB 4.22Å; F6-P70 HydrophobicContact CE1-CG 4.05Å; F6-I75 HydrophobicContact CE1-CD1 4Å; F6-I75 HydrophobicContact CZ-CD1 3.99Å; F6-Y79 AromaticContact CE2-CD1 3.8Å; F6-Y79 HydrophobicContact CE2-CD1 3.8Å; F6-Y79 AromaticContact CE2-CE1 3.59Å; F6-Y79 HydrophobicContact CE2-CE1 3.59Å; F6-Y79 AromaticContact CZ-CD1 3.8Å; F6-Y79 HydrophobicContact CZ-CD1 3.8Å; F6-Y79 AromaticContact CZ-CE1 3.99Å; F6-Y79 HydrophobicContact CZ-CE1 3.99Å; F6-Y79 HydrophobicContact CZ-CG 4.17Å; F6-L158 HydrophobicContact CB-CB 4.45Å; F6-L158 HydrophobicContact CB-CD2 3.67Å; F6-L158 HydrophobicContact CB-CG 3.58Å; F6-L158 HydrophobicContact CD1-CD1 4.49Å; F6-L158 HydrophobicContact CD1-CD2 3.65Å; F6-L158 HydrophobicContact CD1-CG 4.06Å; F6-L158 HydrophobicContact CD2-CD1 4.09Å; F6-L158 HydrophobicContact CD2-CD2 4.4Å; F6-L158 HydrophobicContact CD2-CG 3.89Å; F6-L158 HydrophobicContact CE1-CD2 4.39Å; F6-L158 HydrophobicContact CE2-CD1 4.35Å; F6-L158 HydrophobicContact CG-CD1 4.16Å; F6-L158 HydrophobicContact CG-CD2 3.66Å; F6-L158 HydrophobicContact CG-CG 3.58Å
7K89.4Confident84.3Confident148 Ų14882.9 Ų82.964%0.64342%0.419SS*.G310 helixtrans-75.5-12177.9-57.5-174.1175.9-177.40113.3N5 I9 S159N5-K7 PolarHBondContact O-N 2.95Å; N5-K7 VanDerWaalsContact OD1-CB 3.28Å; N5-K7 WeakPolarHBondContact OD1-CB 3.42Å; N5-K7 PolarHBondContact OD1-N 3.24Å; K7-I9 VanDerWaalsContact C-N 3.29Å; K7-I9 PolarHBondContact O-N 3.06Å; K7-S159 WeakPolarHBondContact CE-O 3.39Å
8K90.7Very high85Confident164 Ų16478.6 Ų78.671%0.71340%0.397SS*.G310 helixtrans-78.4-10.9-179.7-68.8-172.3176.2-176.20113.9F6 M10F6-K8 PolarHBondContact O-N 3.12Å; K8-M10 PolarHBondContact O-N 3.04Å
9I92.6Very high85.6Confident10 Ų1075.1 Ų75.15%0.05138%0.379CS..PPolyproline II helixtrans-69123.4-177.6-53.4177.2000109.5F6 K7 D68 F69 R155 L158F6-I9 WeakPolarHBondContact O-CG1 3.41Å; K7-I9 VanDerWaalsContact C-N 3.29Å; K7-I9 PolarHBondContact O-N 3.06Å; I9-D68 HydrophobicContact CB-CB 4.41Å; I9-D68 HydrophobicContact CG1-CB 4.44Å; I9-D68 WeakPolarHBondContact CG1-O 3.28Å; I9-D68 HydrophobicContact CG2-CB 3.97Å; I9-F69 HydrophobicContact CD1-CD1 4.08Å; I9-F69 HydrophobicContact CD1-CE1 4.33Å; I9-F69 HydrophobicContact CG2-CD2 4.22Å; I9-F69 HydrophobicContact CG2-CE1 4.42Å; I9-F69 HydrophobicContact CG2-CE2 3.97Å; I9-F69 HydrophobicContact CG2-CZ 4.1Å; I9-R155 HydrophobicContact CB-CG 3.92Å; I9-R155 HydrophobicContact CG2-CG 3.69Å; I9-L158 HydrophobicContact CD1-CD2 3.6Å
10M93.8Very high86.2Confident86 Ų8675.7 Ų75.742%0.42438%0.384SS..PPolyproline II helixtrans-66.7150.5177.5-71.2-155.273.300112.3K8 V12 R61 Q64 D68 R155K8-M10 PolarHBondContact O-N 3.04Å; M10-V12 PolarHBondContact O-N 3.02Å; M10-R61 PolarHBondContact SD-NH1 3.27Å; M10-Q64 HydrophobicContact SD-CG 4.45Å; M10-Q64 PolarHBondContact SD-NE2 3.27Å; M10-Q64 PolarHBondContact SD-OE1 2.88Å; M10-D68 PolarHBondContact N-OD2 2.88Å; M10-R155 WeakPolarHBondContact O-CD 3.47Å
11V95.3Very high86.7Confident81 Ų8175.5 Ų75.549%0.49139%0.386SS..PPolyproline II helixtrans-55.4127.8175.7-178.50000110.8P13 R61V11-P13 VanDerWaalsContact O-CD 3.26Å; V11-P13 WeakPolarHBondContact O-CD 3.26Å; V11-R61 PolarHBondContact O-NH2 3.3Å
12V95.6Very high89.1Confident3 Ų366.6 Ų66.62%0.01834%0.343CS..  trans-88.6108175.6-178.30000107.6M10 I65 F69 L148 L151 E152M10-V12 PolarHBondContact O-N 3.02Å; V12-I65 HydrophobicContact CG1-CD1 4.09Å; V12-I65 HydrophobicContact CG2-CG1 4.33Å; V12-I65 HydrophobicContact CG2-CG2 4.48Å; V12-F69 HydrophobicContact CG2-CE2 3.72Å; V12-F69 HydrophobicContact CG2-CZ 4.06Å; V12-L148 HydrophobicContact CG1-CB 4.31Å; V12-L148 HydrophobicContact CG1-CD2 3.62Å; V12-L151 HydrophobicContact CG1-CB 4.47Å; V12-L151 HydrophobicContact CG2-CB 4.49Å; V12-E152 HydrophobicContact CB-CB 4.08Å; V12-E152 PolarHBondContact N-OE2 3.23Å
13P95Very high91.5Very high23 Ų2365.6 Ų65.615%0.14933%0.326CS..  trans-68.3154.118029-35.1000111V11 E17 F18V11-P13 VanDerWaalsContact O-CD 3.26Å; V11-P13 WeakPolarHBondContact O-CD 3.26Å; P13-E17 HydrophobicContact CB-CB 4.27Å; P13-F18 HydrophobicContact CB-CB 4.15Å; P13-F18 HydrophobicContact CG-CB 3.75Å; P13-F18 HydrophobicContact CG-CD1 4.16Å; P13-F18 HydrophobicContact CG-CD2 4.32Å; P13-F18 HydrophobicContact CG-CG 3.83Å
14T96.4Very high93.1Very high65 Ų6561.6 Ų61.640%0.39931%0.308SS..  trans-62.2156.5170.3640000110.7K16 E17 F18T14-K16 PolarHBondContact O-N 3.17Å; T14-K16 VanDerWaalsContact O-N 3.11Å; T14-E17 PolarHBondContact N-OE2 3.37Å; T14-E17 VanDerWaalsContact N-OE2 3.13Å; T14-E17 PolarHBondContact O-N 3.04Å; T14-E17 WeakPolarHBondContact OG1-CB 3.44Å; T14-E17 VanDerWaalsContact OG1-CG 3.22Å; T14-E17 WeakPolarHBondContact OG1-CG 3.28Å; T14-E17 PolarHBondContact OG1-N 3.13Å; T14-E17 PolarHBondContact OG1-OE2 3.24Å; T14-F18 VanDerWaalsContact O-CB 3.28Å; T14-F18 WeakPolarHBondContact O-CB 3.36Å; T14-F18 PolarHBondContact O-N 3.42Å
15A96.1Very high94.3Very high6 Ų662.6 Ų62.65%0.0531%0.314CS..Hα-helixtrans-54.8-35.5-179.800000113I19 K145 L148A15-I19 WeakPolarHBondContact O-CD1 3.44Å; A15-I19 WeakPolarHBondContact O-CG1 3.48Å; A15-I19 PolarHBondContact O-N 3.21Å; A15-K145 HydrophobicContact CB-CB 4.29Å; A15-K145 HydrophobicContact CB-CG 4.5Å; A15-L148 HydrophobicContact CB-CD1 4.01Å
16K96.1Very high95.2Very high157 Ų15758.8 Ų58.868%0.68329%0.294SS*.Hα-helixtrans-70.1-52.8178.8-175.7176.7177.4-176.80111.4T14 F18 I19 D20T14-K16 PolarHBondContact O-N 3.17Å; T14-K16 VanDerWaalsContact O-N 3.11Å; K16-F18 VanDerWaalsContact C-N 3.25Å; K16-F18 PolarHBondContact O-N 3.47Å; K16-I19 WeakPolarHBondContact O-CB 3.47Å; K16-I19 PolarHBondContact O-N 3.23Å; K16-I19 VanDerWaalsContact O-N 3.17Å; K16-D20 PolarHBondContact O-N 3Å
17E96.3Very high95.6Very high107 Ų10764.5 Ų64.550%0.532%0.321SS..Hα-helixtrans-60.1-38.8178.2-69165157.500111.5P13 T14 I19 D20 V21P13-E17 HydrophobicContact CB-CB 4.27Å; T14-E17 PolarHBondContact N-OE2 3.37Å; T14-E17 VanDerWaalsContact N-OE2 3.13Å; T14-E17 PolarHBondContact O-N 3.04Å; T14-E17 WeakPolarHBondContact OG1-CB 3.44Å; T14-E17 VanDerWaalsContact OG1-CG 3.22Å; T14-E17 WeakPolarHBondContact OG1-CG 3.28Å; T14-E17 PolarHBondContact OG1-N 3.13Å; T14-E17 PolarHBondContact OG1-OE2 3.24Å; E17-I19 VanDerWaalsContact C-N 3.34Å; E17-I19 PolarHBondContact O-N 2.8Å; E17-D20 PolarHBondContact O-N 3.5Å; E17-V21 WeakPolarHBondContact O-CB 3.19Å; E17-V21 VanDerWaalsContact O-CG2 3.22Å; E17-V21 WeakPolarHBondContact O-CG2 3.49Å; E17-V21 PolarHBondContact O-N 3.18Å
18F96.8Very high96Very high5 Ų567.4 Ų67.42%0.02233%0.328CS..Hα-helixtrans-64.1-40.2178.8-166.6-178.2000111.8P13 T14 K16 T22 Y58 R61 L62 L141 L148P13-F18 HydrophobicContact CB-CB 4.15Å; P13-F18 HydrophobicContact CG-CB 3.75Å; P13-F18 HydrophobicContact CG-CD1 4.16Å; P13-F18 HydrophobicContact CG-CD2 4.32Å; P13-F18 HydrophobicContact CG-CG 3.83Å; T14-F18 VanDerWaalsContact O-CB 3.28Å; T14-F18 WeakPolarHBondContact O-CB 3.36Å; T14-F18 PolarHBondContact O-N 3.42Å; K16-F18 VanDerWaalsContact C-N 3.25Å; K16-F18 PolarHBondContact O-N 3.47Å; F18-T22 WeakPolarHBondContact O-CB 3.46Å; F18-T22 PolarHBondContact O-N 3.34Å; F18-T22 VanDerWaalsContact O-N 3.09Å; F18-T22 PolarHBondContact O-OG1 3.4Å; F18-Y58 HydrophobicContact CD2-CD1 4.36Å; F18-Y58 HydrophobicContact CD2-CE1 4.23Å; F18-Y58 AromaticContact CE2-CD1 3.75Å; F18-Y58 HydrophobicContact CE2-CD1 3.75Å; F18-Y58 HydrophobicContact CE2-CE1 4.07Å; F18-Y58 AromaticContact CZ-CD1 3.81Å; F18-Y58 HydrophobicContact CZ-CD1 3.81Å; F18-Y58 HydrophobicContact CZ-CE1 4.4Å; F18-R61 HydrophobicContact CD2-CG 4.35Å; F18-R61 HydrophobicContact CE1-CG 4.14Å; F18-R61 HydrophobicContact CE2-CB 3.69Å; F18-R61 HydrophobicContact CE2-CG 3.5Å; F18-R61 VanDerWaalsContact CE2-CG 3.5Å; F18-R61 HydrophobicContact CZ-CB 3.53Å; F18-R61 HydrophobicContact CZ-CG 3.39Å; F18-L62 HydrophobicContact CE1-CD2 3.88Å; F18-L62 HydrophobicContact CE1-CG 4.21Å; F18-L62 HydrophobicContact CZ-CD2 4.42Å; F18-L62 HydrophobicContact CZ-CG 4.25Å; F18-L141 HydrophobicContact CB-CD2 3.82Å; F18-L141 HydrophobicContact CD1-CD1 3.79Å; F18-L141 HydrophobicContact CD1-CD2 3.59Å; F18-L141 HydrophobicContact CD1-CG 4.21Å; F18-L141 HydrophobicContact CD2-CD2 4.4Å; F18-L141 HydrophobicContact CE1-CD1 3.82Å; F18-L141 HydrophobicContact CE1-CD2 4.17Å; F18-L141 HydrophobicContact CG-CD2 3.68Å; F18-L148 HydrophobicContact CD1-CD1 4.4Å
19I97.3Very high96.3Very high11 Ų1166.4 Ų66.46%0.05632%0.323CS..Hα-helixtrans-62.5-48.9172.7-71.1164.7000110.5A15 K16 E17 V21 T22 L23 C138 L141 K142A15-I19 WeakPolarHBondContact O-CD1 3.44Å; A15-I19 WeakPolarHBondContact O-CG1 3.48Å; A15-I19 PolarHBondContact O-N 3.21Å; K16-I19 WeakPolarHBondContact O-CB 3.47Å; K16-I19 PolarHBondContact O-N 3.23Å; K16-I19 VanDerWaalsContact O-N 3.17Å; E17-I19 VanDerWaalsContact C-N 3.34Å; E17-I19 PolarHBondContact O-N 2.8Å; I19-V21 PolarHBondContact O-N 3.16Å; I19-T22 PolarHBondContact O-N 2.85Å; I19-L23 HydrophobicContact CG2-CD1 3.66Å; I19-L23 HydrophobicContact CG2-CG 4.23Å; I19-L23 WeakPolarHBondContact O-CB 3.45Å; I19-L23 WeakPolarHBondContact O-CG 3.46Å; I19-L23 PolarHBondContact O-N 3.33Å; I19-C138 HydrophobicContact CD1-CB 4.13Å; I19-C138 HydrophobicContact CG1-CB 4.31Å; I19-C138 HydrophobicContact CG2-CB 4.35Å; I19-L141 HydrophobicContact CD1-CD2 4.39Å; I19-L141 HydrophobicContact CG1-CB 4.41Å; I19-L141 HydrophobicContact CG1-CD2 3.61Å; I19-L141 HydrophobicContact CG1-CG 4.48Å; I19-K142 HydrophobicContact CD1-CD 4.27Å; I19-K142 HydrophobicContact CD1-CG 3.51Å
20D97.3Very high96.5Very high88 Ų8866.2 Ų66.247%0.47132%0.322SS..Hα-helixtrans-63.2-44.9-175.9-68.2-22.4000111.4K16 E17 T22 S24K16-D20 PolarHBondContact O-N 3Å; E17-D20 PolarHBondContact O-N 3.5Å; D20-T22 VanDerWaalsContact C-N 3.35Å; D20-T22 PolarHBondContact O-N 2.96Å; D20-S24 WeakPolarHBondContact O-CB 3.48Å; D20-S24 PolarHBondContact O-N 3.48Å
21V96.8Very high96.6Very high72 Ų7265.2 Ų65.244%0.43632%0.323SS..Hα-helixtrans-60.3-44.5175.6169.70000111.1E17 I19 K25E17-V21 WeakPolarHBondContact O-CB 3.19Å; E17-V21 VanDerWaalsContact O-CG2 3.22Å; E17-V21 WeakPolarHBondContact O-CG2 3.49Å; E17-V21 PolarHBondContact O-N 3.18Å; I19-V21 PolarHBondContact O-N 3.16Å; V21-K25 HydrophobicContact CG1-CD 4.17Å; V21-K25 WeakPolarHBondContact O-CB 3.16Å; V21-K25 VanDerWaalsContact O-CG 3.29Å; V21-K25 WeakPolarHBondContact O-CG 3.21Å; V21-K25 PolarHBondContact O-N 3.42Å
22T97.2Very high96.6Very high4 Ų465.7 Ų65.73%0.02533%0.326CS..Hα-helixtrans-72.2-42.4-175.4-56.40000112.1F18 I19 D20 K25 T26 T54 N57 Y58F18-T22 WeakPolarHBondContact O-CB 3.46Å; F18-T22 PolarHBondContact O-N 3.34Å; F18-T22 VanDerWaalsContact O-N 3.09Å; F18-T22 PolarHBondContact O-OG1 3.4Å; I19-T22 PolarHBondContact O-N 2.85Å; D20-T22 VanDerWaalsContact C-N 3.35Å; D20-T22 PolarHBondContact O-N 2.96Å; T22-K25 PolarHBondContact O-N 2.77Å; T22-T26 WeakPolarHBondContact O-CB 3.34Å; T22-T26 PolarHBondContact O-N 2.93Å; T22-T26 PolarHBondContact O-OG1 3.18Å; T22-T54 HydrophobicContact CG2-CG2 3.86Å; T22-N57 HydrophobicContact CG2-CB 3.89Å; T22-Y58 HydrophobicContact CG2-CD1 4.06Å; T22-Y58 HydrophobicContact CG2-CD2 4Å; T22-Y58 HydrophobicContact CG2-CE1 3.83Å; T22-Y58 HydrophobicContact CG2-CE2 3.81Å; T22-Y58 HydrophobicContact CG2-CG 4.12Å; T22-Y58 WeakPolarHBondContact OG1-CE1 3.49Å
23L97.3Very high96.6Very high57 Ų5770.4 Ų70.430%0.29835%0.354SS..Hα-helixtrans-68.4-40.1176.3-67.8180000111.4I19 T26 Q27 L134I19-L23 HydrophobicContact CG2-CD1 3.66Å; I19-L23 HydrophobicContact CG2-CG 4.23Å; I19-L23 WeakPolarHBondContact O-CB 3.45Å; I19-L23 WeakPolarHBondContact O-CG 3.46Å; I19-L23 PolarHBondContact O-N 3.33Å; L23-T26 WeakPolarHBondContact O-CB 3.31Å; L23-T26 PolarHBondContact O-N 2.93Å; L23-Q27 PolarHBondContact O-N 3.25Å; L23-L134 HydrophobicContact CD2-CD1 4.4Å
24S97.6Very high96.6Very high34 Ų3470.2 Ų70.224%0.23835%0.352CS..Hα-helixtrans-61.1-46.9173.9-177.90000111.6D20 T26 Q27 R28D20-S24 WeakPolarHBondContact O-CB 3.48Å; D20-S24 PolarHBondContact O-N 3.48Å; S24-T26 VanDerWaalsContact C-N 3.31Å; S24-T26 PolarHBondContact O-N 3.35Å; S24-Q27 PolarHBondContact O-N 3.42Å; S24-Q27 VanDerWaalsContact O-N 3.14Å; S24-R28 WeakPolarHBondContact O-CG 3.48Å; S24-R28 PolarHBondContact O-N 3.07Å; S24-R28 VanDerWaalsContact OG-CZ 3.3Å; S24-R28 PolarHBondContact OG-NE 3.02Å; S24-R28 PolarHBondContact OG-NH2 3.5Å
25K97.3Very high96.5Very high92 Ų9271.2 Ų71.240%0.435%0.352SS..Hα-helixtrans-57.2-44.1172.7-79.8177.4-179.8179.50111.6V21 T22 Q27 R28 K29V21-K25 HydrophobicContact CG1-CD 4.17Å; V21-K25 WeakPolarHBondContact O-CB 3.16Å; V21-K25 VanDerWaalsContact O-CG 3.29Å; V21-K25 WeakPolarHBondContact O-CG 3.21Å; V21-K25 PolarHBondContact O-N 3.42Å; T22-K25 PolarHBondContact O-N 2.77Å; K25-Q27 VanDerWaalsContact C-N 3.31Å; K25-Q27 PolarHBondContact O-N 3.42Å; K25-R28 PolarHBondContact O-N 3.31Å; K25-K29 VanDerWaalsContact O-CB 3.3Å; K25-K29 WeakPolarHBondContact O-CB 3.29Å; K25-K29 PolarHBondContact O-N 3.19Å
26T97.4Very high96.4Very high5 Ų579.5 Ų79.53%0.03139%0.387CS..Hα-helixtrans-61.7-40.5177.7-57.30000111.2T22 L23 S24 T30 K50 F53 T54T22-T26 WeakPolarHBondContact O-CB 3.34Å; T22-T26 PolarHBondContact O-N 2.93Å; T22-T26 PolarHBondContact O-OG1 3.18Å; L23-T26 WeakPolarHBondContact O-CB 3.31Å; L23-T26 PolarHBondContact O-N 2.93Å; S24-T26 VanDerWaalsContact C-N 3.31Å; S24-T26 PolarHBondContact O-N 3.35Å; T26-T30 PolarHBondContact O-OG1 3.19Å; T26-K50 HydrophobicContact CG2-CD 3.89Å; T26-K50 PolarHBondContact O-NZ 3.1Å; T26-F53 HydrophobicContact CG2-CD1 4.33Å; T26-T54 WeakPolarHBondContact CG2-OG1 3.36Å; T26-T54 PolarHBondContact OG1-OG1 3.28Å
27Q96.4Very high96.3Very high136 Ų13679.2 Ų79.264%0.63639%0.387SS*.Hα-helixtrans-69.3-45.1178.6-172.6171.91.600112.4L23 S24 K25 T32L23-Q27 PolarHBondContact O-N 3.25Å; S24-Q27 PolarHBondContact O-N 3.42Å; S24-Q27 VanDerWaalsContact O-N 3.14Å; K25-Q27 VanDerWaalsContact C-N 3.31Å; K25-Q27 PolarHBondContact O-N 3.42Å; Q27-T32 HydrophobicContact CG-CG2 4.4Å; Q27-T32 WeakPolarHBondContact O-CG2 3.38Å
28R97.1Very high96.2Very high210 Ų21077.2 Ų77.279%0.79238%0.376SS*.Hα-helixtrans-76-38.4-175.5-64.6178.8-166.8176.93.3113.7S24 K25S24-R28 WeakPolarHBondContact O-CG 3.48Å; S24-R28 PolarHBondContact O-N 3.07Å; S24-R28 VanDerWaalsContact OG-CZ 3.3Å; S24-R28 PolarHBondContact OG-NE 3.02Å; S24-R28 PolarHBondContact OG-NH2 3.5Å; K25-R28 PolarHBondContact O-N 3.31Å
29K97.4Very high96.2Very high142 Ų14284.5 Ų84.562%0.61741%0.41SS*.Hα-helixtrans-94-3.5-171.5-65-168.5170-167.50115.1K25 F53K25-K29 VanDerWaalsContact O-CB 3.3Å; K25-K29 WeakPolarHBondContact O-CB 3.29Å; K25-K29 PolarHBondContact O-N 3.19Å; K29-F53 HydrophobicContact CB-CE1 4Å; K29-F53 HydrophobicContact CB-CE2 4.41Å; K29-F53 HydrophobicContact CB-CZ 3.6Å; K29-F53 HydrophobicContact CD-CZ 3.9Å; K29-F53 HydrophobicContact CG-CZ 4.34Å
30T96.5Very high96Very high6 Ų686.9 Ų86.94%0.03742%0.422CS..SBendtrans-130.4146.2178630000110.6T26 K50 F53T26-T30 PolarHBondContact O-OG1 3.19Å; T30-K50 PolarHBondContact O-NZ 3.37Å; T30-K50 WeakPolarHBondContact OG1-CD 3.3Å; T30-K50 WeakPolarHBondContact OG1-CE 3.46Å; T30-K50 PolarHBondContact OG1-NZ 3.43Å; T30-F53 HydrophobicContact CG2-CB 3.95Å; T30-F53 HydrophobicContact CG2-CD1 3.76Å; T30-F53 HydrophobicContact CG2-CD2 3.85Å; T30-F53 HydrophobicContact CG2-CE1 4.2Å; T30-F53 HydrophobicContact CG2-CE2 4.3Å; T30-F53 HydrophobicContact CG2-CG 3.56Å; T30-F53 HydrophobicContact CG2-CZ 4.46Å
31P95.9Very high95.9Very high66 Ų6689.2 Ų89.243%0.42943%0.43SS..  trans-54.8143-173.922.7-34.9000111.8F46 K50P31-F46 HydrophobicContact CB-CE2 4.17Å; P31-F46 HydrophobicContact CG-CD2 4.33Å; P31-F46 HydrophobicContact CG-CE2 4.26Å; P31-F46 WeakPolarHBondContact O-CE2 3.43Å; P31-F46 VanDerWaalsContact O-CZ 3.24Å; P31-F46 WeakPolarHBondContact O-CZ 3.3Å; P31-K50 WeakPolarHBondContact O-CE 3.48Å; P31-K50 PolarHBondContact O-NZ 3.26Å
32T95.8Very high95.8Very high90 Ų9092.4 Ų92.455%0.55243%0.434SS*.  trans-108.3-29.4-171.549.80000113.7Q27 F46Q27-T32 HydrophobicContact CG-CG2 4.4Å; Q27-T32 WeakPolarHBondContact O-CG2 3.38Å; T32-F46 WeakPolarHBondContact O-CZ 3.41Å
33V94.8Very high95.8Very high103 Ų10392.5 Ų92.562%0.62443%0.434SS*.  trans-93130.7-175.2-175.40000110.9
34I94.9Very high95.8Very high18 Ų1893.3 Ų93.39%0.09243%0.433CS..  trans-150.3142.1169.6-170.6157.4000110.4Y38 I43 F46 M123I34-Y38 HydrophobicContact CG1-CD2 3.96Å; I34-I43 HydrophobicContact CD1-CB 4.17Å; I34-I43 HydrophobicContact CD1-CG1 3.84Å; I34-I43 HydrophobicContact CG1-CG1 4.34Å; I34-F46 HydrophobicContact CB-CD1 4.27Å; I34-F46 HydrophobicContact CB-CD2 4.16Å; I34-F46 HydrophobicContact CB-CE1 4.27Å; I34-F46 HydrophobicContact CB-CE2 4.12Å; I34-F46 HydrophobicContact CB-CG 4.23Å; I34-F46 HydrophobicContact CB-CZ 4.2Å; I34-F46 HydrophobicContact CD1-CB 3.49Å; I34-F46 VanDerWaalsContact CD1-CB 3.49Å; I34-F46 HydrophobicContact CD1-CD1 4.03Å; I34-F46 HydrophobicContact CD1-CD2 4.07Å; I34-F46 HydrophobicContact CD1-CG 3.61Å; I34-F46 HydrophobicContact CG2-CD1 3.85Å; I34-F46 HydrophobicContact CG2-CE1 3.66Å; I34-F46 HydrophobicContact CG2-CE2 4.38Å; I34-F46 HydrophobicContact CG2-CG 4.31Å; I34-F46 HydrophobicContact CG2-CZ 3.95Å; I34-M123 HydrophobicContact CG2-CE 3.85Å; I34-M123 WeakPolarHBondContact O-CE 3.42Å
35H94.1Very high95.8Very high86 Ų8696.8 Ų96.840%0.39845%0.446SS..  trans-111.7154-178-58.5-82.5000112.4H37 Y38H35-H37 VanDerWaalsContact C-N 3.29Å; H35-H37 WeakPolarHBondContact CB-CE1 3.44Å; H35-H37 WeakPolarHBondContact CB-ND1 3.26Å; H35-H37 AromaticContact CG-CE1 3.74Å; H35-H37 PolarHBondContact O-N 3.21Å; H35-Y38 HydrophobicContact CB-CD1 4.45Å; H35-Y38 HydrophobicContact CB-CE1 4.39Å; H35-Y38 AromaticContact CD2-CZ 3.85Å; H35-Y38 PolarHBondContact O-N 3.11Å
36K93.6Very high95.8Very high180 Ų18093.5 Ų93.578%0.78343%0.432SS*.THydrogen-bonded Turntrans-64.6-27.7-176.6-172.4-178.8175.6-173.30113.8Y38 M123K36-Y38 VanDerWaalsContact C-N 3.31Å; K36-Y38 PolarHBondContact O-N 2.91Å; K36-M123 HydrophobicContact CB-SD 4.09Å
37H93.9Very high95.8Very high151 Ų15193.6 Ų93.670%0.69943%0.432SS*.THydrogen-bonded Turntrans-82.8-3.1-176.762.3-89.5000113.9H35H35-H37 VanDerWaalsContact C-N 3.29Å; H35-H37 WeakPolarHBondContact CB-CE1 3.44Å; H35-H37 WeakPolarHBondContact CB-ND1 3.26Å; H35-H37 AromaticContact CG-CE1 3.74Å; H35-H37 PolarHBondContact O-N 3.21Å
38Y95.6Very high95.9Very high65 Ų6588.8 Ų88.826%0.25541%0.409SS..SBendtrans-71.7153177-73.5-1.3000111.9I34 H35 K36 I40 R42 I43I34-Y38 HydrophobicContact CG1-CD2 3.96Å; H35-Y38 HydrophobicContact CB-CD1 4.45Å; H35-Y38 HydrophobicContact CB-CE1 4.39Å; H35-Y38 AromaticContact CD2-CZ 3.85Å; H35-Y38 PolarHBondContact O-N 3.11Å; K36-Y38 VanDerWaalsContact C-N 3.31Å; K36-Y38 PolarHBondContact O-N 2.91Å; Y38-I40 PolarHBondContact O-N 2.64Å; Y38-R42 HydrophobicContact CD2-CG 4.3Å; Y38-R42 VanDerWaalsContact CE2-NH1 3.3Å; Y38-I43 WeakPolarHBondContact O-CD1 3.39Å
39Q95.4Very high95.9Very high158 Ų15884.7 Ų84.774%0.73839%0.394SS*.  trans-53.5138.7174.1-66.6173.9-16.900111.1H41 R42 I43Q39-H41 PolarHBondContact O-N 3.29Å; Q39-H41 VanDerWaalsContact O-N 3.1Å; Q39-R42 WeakPolarHBondContact O-CB 3.47Å; Q39-R42 PolarHBondContact O-N 3.25Å; Q39-I43 PolarHBondContact O-N 3.22Å
40I93.4Very high95.9Very high62 Ų6278.8 Ų78.832%0.31837%0.368SS..Hα-helixtrans-57.2-32.6-175.3-168.458.8000112.8Y38 R42 I43 R44 G120 D121Y38-I40 PolarHBondContact O-N 2.64Å; I40-R42 VanDerWaalsContact C-N 3.34Å; I40-R42 PolarHBondContact O-N 3.45Å; I40-I43 HydrophobicContact CD1-CB 4.39Å; I40-I43 PolarHBondContact O-N 3.24Å; I40-R44 HydrophobicContact CD1-CG 4.43Å; I40-R44 HydrophobicContact CG1-CG 4.26Å; I40-R44 WeakPolarHBondContact O-CG 3.49Å; I40-R44 PolarHBondContact O-N 3Å; I40-G120 WeakPolarHBondContact CD1-O 3.43Å; I40-D121 WeakPolarHBondContact CD1-O 3.36Å
41H94.9Very high96Very high137 Ų13778.5 Ų78.563%0.63437%0.366SS*.Hα-helixtrans-55.8-47173.8177.3-101.4000111.9Q39 I43 R44 H45Q39-H41 PolarHBondContact O-N 3.29Å; Q39-H41 VanDerWaalsContact O-N 3.1Å; H41-I43 PolarHBondContact O-N 3.2Å; H41-R44 PolarHBondContact O-N 3.31Å; H41-H45 VanDerWaalsContact O-CB 3.32Å; H41-H45 WeakPolarHBondContact O-CB 3.43Å; H41-H45 PolarHBondContact O-N 3.12Å
42R96.1Very high96.1Very high139 Ų13979.6 Ų79.653%0.52536%0.364SS..Hα-helixtrans-65.9-38.5178.6-171.9172.8178.9-176.40.2111.7Y38 Q39 I40 F46Y38-R42 HydrophobicContact CD2-CG 4.3Å; Y38-R42 VanDerWaalsContact CE2-NH1 3.3Å; Q39-R42 WeakPolarHBondContact O-CB 3.47Å; Q39-R42 PolarHBondContact O-N 3.25Å; I40-R42 VanDerWaalsContact C-N 3.34Å; I40-R42 PolarHBondContact O-N 3.45Å; R42-F46 VanDerWaalsContact O-CB 3.26Å; R42-F46 WeakPolarHBondContact O-CB 3.43Å; R42-F46 PolarHBondContact O-N 3.11Å
43I96.1Very high96.2Very high5 Ų577.8 Ų77.83%0.02635%0.349CS..Hα-helixtrans-65.5-48.1177.3-62.2172.9000111.6I34 Y38 Q39 I40 H41 F46 Y47 M123 C126I34-I43 HydrophobicContact CD1-CB 4.17Å; I34-I43 HydrophobicContact CD1-CG1 3.84Å; I34-I43 HydrophobicContact CG1-CG1 4.34Å; Y38-I43 WeakPolarHBondContact O-CD1 3.39Å; Q39-I43 PolarHBondContact O-N 3.22Å; I40-I43 HydrophobicContact CD1-CB 4.39Å; I40-I43 PolarHBondContact O-N 3.24Å; H41-I43 PolarHBondContact O-N 3.2Å; I43-F46 PolarHBondContact O-N 3.23Å; I43-Y47 HydrophobicContact CG2-CD2 4.03Å; I43-Y47 HydrophobicContact CG2-CE2 3.89Å; I43-Y47 VanDerWaalsContact O-CD2 3.26Å; I43-Y47 WeakPolarHBondContact O-CD2 3.49Å; I43-Y47 PolarHBondContact O-N 3.35Å; I43-M123 HydrophobicContact CD1-CB 4.32Å; I43-M123 HydrophobicContact CG2-CB 4.25Å; I43-M123 HydrophobicContact CG2-CG 4.48Å; I43-C126 HydrophobicContact CG2-CB 4.31Å
44R96.9Very high96.4Very high74 Ų7472.9 Ų72.928%0.27932%0.319SS..Hα-helixtrans-60.7-50.1176.7-70.2176.6-177.4166.22.1110.8I40 H41 F46 Y47 M48 K118 G120I40-R44 HydrophobicContact CD1-CG 4.43Å; I40-R44 HydrophobicContact CG1-CG 4.26Å; I40-R44 WeakPolarHBondContact O-CG 3.49Å; I40-R44 PolarHBondContact O-N 3Å; H41-R44 PolarHBondContact O-N 3.31Å; R44-F46 VanDerWaalsContact C-N 3.33Å; R44-F46 PolarHBondContact O-N 2.95Å; R44-Y47 PolarHBondContact O-N 2.8Å; R44-M48 HydrophobicContact CB-SD 4.49Å; R44-M48 WeakPolarHBondContact O-CB 3.49Å; R44-M48 VanDerWaalsContact O-CG 3.23Å; R44-M48 WeakPolarHBondContact O-CG 3.46Å; R44-M48 PolarHBondContact O-N 3.13Å; R44-K118 PolarHBondContact NE-O 3.25Å; R44-K118 PolarHBondContact NH1-O 3.37Å; R44-G120 PolarHBondContact NE-O 2.8Å; R44-G120 PolarHBondContact NH2-O 3.48Å
45H97.4Very high96.5Very high108 Ų10872.8 Ų72.850%0.532%0.318SS..Hα-helixtrans-59.8-41.2179.6-176.1-98000112.5H41 Y47 M48 R49H41-H45 VanDerWaalsContact O-CB 3.32Å; H41-H45 WeakPolarHBondContact O-CB 3.43Å; H41-H45 PolarHBondContact O-N 3.12Å; H45-Y47 PolarHBondContact O-N 3.44Å; H45-M48 PolarHBondContact O-N 3.19Å; H45-R49 VanDerWaalsContact O-CB 3.29Å; H45-R49 WeakPolarHBondContact O-CB 3.11Å; H45-R49 PolarHBondContact O-N 2.9Å
46F97.9Very high96.7Very high23 Ų2372.9 Ų72.910%0.10132%0.319CS..Hα-helixtrans-57.1-48.6176.9177.6-88.4000112.5P31 T32 I34 R42 I43 R44 K50P31-F46 HydrophobicContact CB-CE2 4.17Å; P31-F46 HydrophobicContact CG-CD2 4.33Å; P31-F46 HydrophobicContact CG-CE2 4.26Å; P31-F46 WeakPolarHBondContact O-CE2 3.43Å; P31-F46 VanDerWaalsContact O-CZ 3.24Å; P31-F46 WeakPolarHBondContact O-CZ 3.3Å; T32-F46 WeakPolarHBondContact O-CZ 3.41Å; I34-F46 HydrophobicContact CB-CD1 4.27Å; I34-F46 HydrophobicContact CB-CD2 4.16Å; I34-F46 HydrophobicContact CB-CE1 4.27Å; I34-F46 HydrophobicContact CB-CE2 4.12Å; I34-F46 HydrophobicContact CB-CG 4.23Å; I34-F46 HydrophobicContact CB-CZ 4.2Å; I34-F46 HydrophobicContact CD1-CB 3.49Å; I34-F46 VanDerWaalsContact CD1-CB 3.49Å; I34-F46 HydrophobicContact CD1-CD1 4.03Å; I34-F46 HydrophobicContact CD1-CD2 4.07Å; I34-F46 HydrophobicContact CD1-CG 3.61Å; I34-F46 HydrophobicContact CG2-CD1 3.85Å; I34-F46 HydrophobicContact CG2-CE1 3.66Å; I34-F46 HydrophobicContact CG2-CE2 4.38Å; I34-F46 HydrophobicContact CG2-CG 4.31Å; I34-F46 HydrophobicContact CG2-CZ 3.95Å; R42-F46 VanDerWaalsContact O-CB 3.26Å; R42-F46 WeakPolarHBondContact O-CB 3.43Å; R42-F46 PolarHBondContact O-N 3.11Å; I43-F46 PolarHBondContact O-N 3.23Å; R44-F46 VanDerWaalsContact C-N 3.33Å; R44-F46 PolarHBondContact O-N 2.95Å; F46-K50 WeakPolarHBondContact O-CG 3.49Å; F46-K50 PolarHBondContact O-N 3.09Å
47Y97.8Very high96.9Very high7 Ų765.6 Ų65.63%0.02729%0.289CS..Hα-helixtrans-77.8-34.8-179.3-69-59000113.4I43 R44 H45 R49 K50 V51 M123 C126 K127 K130I43-Y47 HydrophobicContact CG2-CD2 4.03Å; I43-Y47 HydrophobicContact CG2-CE2 3.89Å; I43-Y47 VanDerWaalsContact O-CD2 3.26Å; I43-Y47 WeakPolarHBondContact O-CD2 3.49Å; I43-Y47 PolarHBondContact O-N 3.35Å; R44-Y47 PolarHBondContact O-N 2.8Å; H45-Y47 PolarHBondContact O-N 3.44Å; Y47-R49 VanDerWaalsContact C-N 3.32Å; Y47-R49 PolarHBondContact O-N 3.5Å; Y47-K50 PolarHBondContact O-N 3.42Å; Y47-V51 PolarHBondContact O-N 3.45Å; Y47-V51 VanDerWaalsContact O-N 3.12Å; Y47-M123 HydrophobicContact CE2-CG 4.34Å; Y47-C126 HydrophobicContact CD2-CB 3.32Å; Y47-C126 HydrophobicContact CE2-CB 3.79Å; Y47-C126 HydrophobicContact CG-CB 4.15Å; Y47-K127 HydrophobicContact CE1-CB 4.37Å; Y47-K127 HydrophobicContact CE2-CB 4.46Å; Y47-K130 HydrophobicContact CD1-CB 3.91Å; Y47-K130 HydrophobicContact CD1-CD 4.29Å; Y47-K130 VanDerWaalsContact CD1-CE 3.47Å; Y47-K130 HydrophobicContact CD1-CG 3.94Å; Y47-K130 VanDerWaalsContact CE1-CE 3.46Å; Y47-K130 HydrophobicContact CG-CB 4.33Å
48M97.8Very high97.1Very high35 Ų3558.4 Ų58.417%0.17226%0.255CS..Hα-helixtrans-58.7-44.5171.6-76.1172.2163.800111.2R44 H45 K50 V51 K52 V114 M117 K118R44-M48 HydrophobicContact CB-SD 4.49Å; R44-M48 WeakPolarHBondContact O-CB 3.49Å; R44-M48 VanDerWaalsContact O-CG 3.23Å; R44-M48 WeakPolarHBondContact O-CG 3.46Å; R44-M48 PolarHBondContact O-N 3.13Å; H45-M48 PolarHBondContact O-N 3.19Å; M48-K50 VanDerWaalsContact C-N 3.33Å; M48-K50 PolarHBondContact O-N 3.34Å; M48-V51 PolarHBondContact O-N 3.26Å; M48-K52 WeakPolarHBondContact O-CB 3.4Å; M48-K52 PolarHBondContact O-N 3.09Å; M48-V114 HydrophobicContact CE-CG1 4.39Å; M48-V114 VanDerWaalsContact CE-O 3.22Å; M48-V114 WeakPolarHBondContact CE-O 3.47Å; M48-V114 HydrophobicContact CG-CG1 4.32Å; M48-M117 HydrophobicContact CE-CB 3.88Å; M48-M117 HydrophobicContact CG-CB 4.05Å; M48-M117 HydrophobicContact CG-SD 4.16Å; M48-K118 HydrophobicContact CE-CB 4.14Å; M48-K118 HydrophobicContact CE-CG 3.36Å
49R97.8Very high97.2Very high124 Ų12457.6 Ų57.647%0.46825%0.254SS..Hα-helixtrans-60.1-42176.9-173.6175.5-176.51782.2111.6H45 Y47 F53H45-R49 VanDerWaalsContact O-CB 3.29Å; H45-R49 WeakPolarHBondContact O-CB 3.11Å; H45-R49 PolarHBondContact O-N 2.9Å; Y47-R49 VanDerWaalsContact C-N 3.32Å; Y47-R49 PolarHBondContact O-N 3.5Å; R49-F53 WeakPolarHBondContact O-CB 3.45Å; R49-F53 PolarHBondContact O-N 3.17Å
50K97.8Very high97.3Very high17 Ų1753.8 Ų53.87%0.07424%0.238CC..Hα-helixtrans-60.3-49.3176.8-70.2-82.5176-176.40111.4T26 T30 P31 F46 Y47 M48 F53 T54 K130T26-K50 HydrophobicContact CG2-CD 3.89Å; T26-K50 PolarHBondContact O-NZ 3.1Å; T30-K50 PolarHBondContact O-NZ 3.37Å; T30-K50 WeakPolarHBondContact OG1-CD 3.3Å; T30-K50 WeakPolarHBondContact OG1-CE 3.46Å; T30-K50 PolarHBondContact OG1-NZ 3.43Å; P31-K50 WeakPolarHBondContact O-CE 3.48Å; P31-K50 PolarHBondContact O-NZ 3.26Å; F46-K50 WeakPolarHBondContact O-CG 3.49Å; F46-K50 PolarHBondContact O-N 3.09Å; Y47-K50 PolarHBondContact O-N 3.42Å; M48-K50 VanDerWaalsContact C-N 3.33Å; M48-K50 PolarHBondContact O-N 3.34Å; K50-F53 PolarHBondContact O-N 3.25Å; K50-T54 PolarHBondContact O-N 3.45Å; K50-T54 PolarHBondContact O-OG1 3.34Å; K50-K130 HydrophobicContact CB-CG 4.29Å
51V98.1Very high97.5Very high0 Ų053.2 Ų53.20%023%0.232CC..Hα-helixtrans-65.4-45.2-179.8174.10000111.9Y47 M48 T54 Q55 A110 V114 M117 K130 A133 M137Y47-V51 PolarHBondContact O-N 3.45Å; Y47-V51 VanDerWaalsContact O-N 3.12Å; M48-V51 PolarHBondContact O-N 3.26Å; V51-T54 PolarHBondContact O-N 3.04Å; V51-Q55 WeakPolarHBondContact O-CB 3.3Å; V51-Q55 PolarHBondContact O-N 3.18Å; V51-A110 HydrophobicContact CG1-CB 4.28Å; V51-V114 HydrophobicContact CG1-CG2 4.19Å; V51-M117 HydrophobicContact CB-CE 4.44Å; V51-M117 HydrophobicContact CG2-CE 3.47Å; V51-M117 VanDerWaalsContact CG2-CE 3.47Å; V51-M117 HydrophobicContact CG2-SD 4.45Å; V51-K130 HydrophobicContact CG2-CB 4.4Å; V51-K130 HydrophobicContact CG2-CG 4.08Å; V51-A133 HydrophobicContact CG1-CB 4Å; V51-A133 HydrophobicContact CG2-CB 3.71Å; V51-M137 HydrophobicContact CG1-CE 3.85Å
52K98.2Very high97.6Very high89 Ų8946.7 Ų46.739%0.38720%0.202SC..Hα-helixtrans-63.9-41.7177.6-81.2-61.8-165.6174.20112.7M48 Q55 Q56 V114M48-K52 WeakPolarHBondContact O-CB 3.4Å; M48-K52 PolarHBondContact O-N 3.09Å; K52-Q55 PolarHBondContact O-N 3.28Å; K52-Q56 WeakPolarHBondContact O-CB 3.24Å; K52-Q56 PolarHBondContact O-N 3.34Å; K52-V114 HydrophobicContact CD-CG2 4.14Å; K52-V114 HydrophobicContact CG-CG2 3.85Å
53F98.4Very high97.6Very high53 Ų5341.8 Ų41.823%0.23219%0.188CC..Hα-helixtrans-63.4-43177.6-171.5-94.8000111.6T26 K29 T30 R49 K50 Q56 N57T26-F53 HydrophobicContact CG2-CD1 4.33Å; K29-F53 HydrophobicContact CB-CE1 4Å; K29-F53 HydrophobicContact CB-CE2 4.41Å; K29-F53 HydrophobicContact CB-CZ 3.6Å; K29-F53 HydrophobicContact CD-CZ 3.9Å; K29-F53 HydrophobicContact CG-CZ 4.34Å; T30-F53 HydrophobicContact CG2-CB 3.95Å; T30-F53 HydrophobicContact CG2-CD1 3.76Å; T30-F53 HydrophobicContact CG2-CD2 3.85Å; T30-F53 HydrophobicContact CG2-CE1 4.2Å; T30-F53 HydrophobicContact CG2-CE2 4.3Å; T30-F53 HydrophobicContact CG2-CG 3.56Å; T30-F53 HydrophobicContact CG2-CZ 4.46Å; R49-F53 WeakPolarHBondContact O-CB 3.45Å; R49-F53 PolarHBondContact O-N 3.17Å; K50-F53 PolarHBondContact O-N 3.25Å; F53-Q56 PolarHBondContact O-N 3.35Å; F53-N57 WeakPolarHBondContact CD1-ND2 3.38Å; F53-N57 WeakPolarHBondContact CE1-ND2 3.31Å; F53-N57 WeakPolarHBondContact CZ-ND2 3.38Å; F53-N57 PolarHBondContact O-N 3.17Å; F53-N57 VanDerWaalsContact O-N 3.14Å; F53-N57 PolarHBondContact O-ND2 3.07Å
54T98.2Very high97.7Very high0 Ų044.6 Ų44.60%020%0.201CC..Hα-helixtrans-64.7-44175.7-52.10000111.7T22 T26 K50 V51 Q56 N57 Y58 L134 M137T22-T54 HydrophobicContact CG2-CG2 3.86Å; T26-T54 WeakPolarHBondContact CG2-OG1 3.36Å; T26-T54 PolarHBondContact OG1-OG1 3.28Å; K50-T54 PolarHBondContact O-N 3.45Å; K50-T54 PolarHBondContact O-OG1 3.34Å; V51-T54 PolarHBondContact O-N 3.04Å; T54-Q56 PolarHBondContact O-N 3.47Å; T54-N57 PolarHBondContact O-N 3.33Å; T54-Y58 HydrophobicContact CG2-CD2 3.82Å; T54-Y58 HydrophobicContact CG2-CE2 3.55Å; T54-Y58 WeakPolarHBondContact O-CD2 3.34Å; T54-Y58 PolarHBondContact O-N 3.48Å; T54-Y58 VanDerWaalsContact O-N 3.08Å; T54-L134 VanDerWaalsContact CB-CD2 3.47Å; T54-L134 HydrophobicContact CG2-CD2 3.52Å; T54-L134 VanDerWaalsContact OG1-CD2 3.23Å; T54-L134 WeakPolarHBondContact OG1-CD2 3.47Å; T54-M137 HydrophobicContact CG2-SD 4.24Å
55Q98Very high97.6Very high15 Ų1541.3 Ų41.37%0.0719%0.189CC..Hα-helixtrans-58.1-47.9175.8172.2-101.5-42.700111.8V51 K52 N57 Y58 H59 I106 D107 A110 M137V51-Q55 WeakPolarHBondContact O-CB 3.3Å; V51-Q55 PolarHBondContact O-N 3.18Å; K52-Q55 PolarHBondContact O-N 3.28Å; Q55-N57 VanDerWaalsContact C-N 3.34Å; Q55-N57 PolarHBondContact O-N 3.23Å; Q55-Y58 PolarHBondContact O-N 3.44Å; Q55-H59 WeakPolarHBondContact O-CB 3.02Å; Q55-H59 PolarHBondContact O-N 3.31Å; Q55-I106 HydrophobicContact CG-CG2 4.24Å; Q55-D107 WeakPolarHBondContact CG-OD1 3.23Å; Q55-D107 PolarHBondContact NE2-OD1 2.83Å; Q55-A110 HydrophobicContact CB-CB 3.51Å; Q55-A110 HydrophobicContact CG-CB 3.47Å; Q55-A110 VanDerWaalsContact CG-CB 3.47Å; Q55-M137 HydrophobicContact CB-CE 4.01Å
56Q98.2Very high97.5Very high89 Ų8937.8 Ų37.842%0.41617%0.173SC..Hα-helixtrans-58.6-45.6179.5-168.165.346.200111.5K52 F53 T54 Y58 H59 D60K52-Q56 WeakPolarHBondContact O-CB 3.24Å; K52-Q56 PolarHBondContact O-N 3.34Å; F53-Q56 PolarHBondContact O-N 3.35Å; T54-Q56 PolarHBondContact O-N 3.47Å; Q56-Y58 PolarHBondContact O-N 2.9Å; Q56-H59 PolarHBondContact O-N 2.97Å; Q56-D60 PolarHBondContact NE2-OD1 3.01Å; Q56-D60 WeakPolarHBondContact O-CB 3.45Å; Q56-D60 PolarHBondContact O-N 3.34Å
57N97.9Very high97.3Very high26 Ų2641.3 Ų41.314%0.13920%0.197CC..Hα-helixtrans-63.4-39.1178.7-75.6-76.1000113T22 F53 T54 Q55 R61T22-N57 HydrophobicContact CG2-CB 3.89Å; F53-N57 WeakPolarHBondContact CD1-ND2 3.38Å; F53-N57 WeakPolarHBondContact CE1-ND2 3.31Å; F53-N57 WeakPolarHBondContact CZ-ND2 3.38Å; F53-N57 PolarHBondContact O-N 3.17Å; F53-N57 VanDerWaalsContact O-N 3.14Å; F53-N57 PolarHBondContact O-ND2 3.07Å; T54-N57 PolarHBondContact O-N 3.33Å; Q55-N57 VanDerWaalsContact C-N 3.34Å; Q55-N57 PolarHBondContact O-N 3.23Å; N57-R61 WeakPolarHBondContact O-CB 3.42Å; N57-R61 PolarHBondContact O-N 3.32Å
58Y97.6Very high97.1Very high0 Ų043.4 Ų43.40%021%0.209CC..Hα-helixtrans-66.3-45.9173.7-80-51.9000111.3F18 T22 T54 Q55 Q56 R61 L62 I106 M137 L141F18-Y58 HydrophobicContact CD2-CD1 4.36Å; F18-Y58 HydrophobicContact CD2-CE1 4.23Å; F18-Y58 AromaticContact CE2-CD1 3.75Å; F18-Y58 HydrophobicContact CE2-CD1 3.75Å; F18-Y58 HydrophobicContact CE2-CE1 4.07Å; F18-Y58 AromaticContact CZ-CD1 3.81Å; F18-Y58 HydrophobicContact CZ-CD1 3.81Å; F18-Y58 HydrophobicContact CZ-CE1 4.4Å; T22-Y58 HydrophobicContact CG2-CD1 4.06Å; T22-Y58 HydrophobicContact CG2-CD2 4Å; T22-Y58 HydrophobicContact CG2-CE1 3.83Å; T22-Y58 HydrophobicContact CG2-CE2 3.81Å; T22-Y58 HydrophobicContact CG2-CG 4.12Å; T22-Y58 WeakPolarHBondContact OG1-CE1 3.49Å; T54-Y58 HydrophobicContact CG2-CD2 3.82Å; T54-Y58 HydrophobicContact CG2-CE2 3.55Å; T54-Y58 WeakPolarHBondContact O-CD2 3.34Å; T54-Y58 PolarHBondContact O-N 3.48Å; T54-Y58 VanDerWaalsContact O-N 3.08Å; Q55-Y58 PolarHBondContact O-N 3.44Å; Q56-Y58 PolarHBondContact O-N 2.9Å; Y58-R61 PolarHBondContact O-N 3.25Å; Y58-L62 WeakPolarHBondContact O-CB 3.46Å; Y58-L62 WeakPolarHBondContact O-CG 3.34Å; Y58-L62 PolarHBondContact O-N 2.98Å; Y58-I106 HydrophobicContact CD2-CG2 4.32Å; Y58-I106 HydrophobicContact CG-CD1 4.23Å; Y58-M137 HydrophobicContact CD2-CB 4.32Å; Y58-M137 HydrophobicContact CE2-CB 4.01Å; Y58-L141 HydrophobicContact CD1-CD2 4.17Å; Y58-L141 HydrophobicContact CE1-CD2 3.45Å; Y58-L141 VanDerWaalsContact CE1-CD2 3.45Å
59H97.9Very high96.8Very high48 Ų4842 Ų4222%0.22220%0.202CC..Hα-helixtrans-58.1-51.4178.6179.794.4000111.3Q55 Q56 R61 L62 T63 D107Q55-H59 WeakPolarHBondContact O-CB 3.02Å; Q55-H59 PolarHBondContact O-N 3.31Å; Q56-H59 PolarHBondContact O-N 2.97Å; H59-R61 VanDerWaalsContact C-N 3.32Å; H59-R61 PolarHBondContact O-N 2.81Å; H59-L62 PolarHBondContact O-N 3.17Å; H59-T63 PolarHBondContact NE2-OG1 3.28Å; H59-T63 VanDerWaalsContact O-CB 3.22Å; H59-T63 WeakPolarHBondContact O-CB 3.41Å; H59-T63 PolarHBondContact O-N 3.48Å; H59-T63 PolarHBondContact O-OG1 3.14Å; H59-D107 IonicContact CE1-OD2 3.56Å; H59-D107 PolarHBondContact CE1-OD2 2.97Å; H59-D107 IonicContact CG-OD1 2.77Å; H59-D107 IonicContact CG-OD2 3.91Å; H59-D107 IonicContact ND1-OD1 3.83Å; H59-D107 PolarHBondContact ND1-OD1 2.87Å; H59-D107 IonicContact ND1-OD2 3.45Å; H59-D107 PolarHBondContact ND1-OD2 3.34Å
60D97.4Very high96.6Very high78 Ų7837.1 Ų37.142%0.41719%0.186SC..Hα-helixtrans-58.4-46.2-179.2-65.9-16.9000110.8Q56 Q64Q56-D60 PolarHBondContact NE2-OD1 3.01Å; Q56-D60 WeakPolarHBondContact O-CB 3.45Å; Q56-D60 PolarHBondContact O-N 3.34Å; D60-Q64 VanDerWaalsContact O-CB 3.29Å; D60-Q64 WeakPolarHBondContact O-CB 3.44Å; D60-Q64 PolarHBondContact O-N 3.13Å
61R96.6Very high96.2Very high51 Ų5143 Ų4319%0.19221%0.211CC..Hα-helixtrans-72.5-38.6-177.3-174.456.5169.1-173.10.6112.9M10 V11 F18 N57 Y58 H59 Q64 I65M10-R61 PolarHBondContact SD-NH1 3.27Å; V11-R61 PolarHBondContact O-NH2 3.3Å; F18-R61 HydrophobicContact CD2-CG 4.35Å; F18-R61 HydrophobicContact CE1-CG 4.14Å; F18-R61 HydrophobicContact CE2-CB 3.69Å; F18-R61 HydrophobicContact CE2-CG 3.5Å; F18-R61 VanDerWaalsContact CE2-CG 3.5Å; F18-R61 HydrophobicContact CZ-CB 3.53Å; F18-R61 HydrophobicContact CZ-CG 3.39Å; N57-R61 WeakPolarHBondContact O-CB 3.42Å; N57-R61 PolarHBondContact O-N 3.32Å; Y58-R61 PolarHBondContact O-N 3.25Å; H59-R61 VanDerWaalsContact C-N 3.32Å; H59-R61 PolarHBondContact O-N 2.81Å; R61-Q64 PolarHBondContact O-N 3.29Å; R61-I65 WeakPolarHBondContact O-CG1 3.28Å; R61-I65 PolarHBondContact O-N 3.33Å; R61-I65 VanDerWaalsContact O-N 3.1Å
62L96.9Very high95.8Very high0 Ų043.5 Ų43.50%021%0.214CC..Hα-helixtrans-68.7-40.2175-68.5167.8000111.3F18 Y58 H59 Q64 I65 L66 I99 R103 I106 L141F18-L62 HydrophobicContact CE1-CD2 3.88Å; F18-L62 HydrophobicContact CE1-CG 4.21Å; F18-L62 HydrophobicContact CZ-CD2 4.42Å; F18-L62 HydrophobicContact CZ-CG 4.25Å; Y58-L62 WeakPolarHBondContact O-CB 3.46Å; Y58-L62 WeakPolarHBondContact O-CG 3.34Å; Y58-L62 PolarHBondContact O-N 2.98Å; H59-L62 PolarHBondContact O-N 3.17Å; L62-Q64 VanDerWaalsContact C-N 3.33Å; L62-I65 PolarHBondContact O-N 3.37Å; L62-L66 WeakPolarHBondContact O-CG 3.25Å; L62-L66 PolarHBondContact O-N 2.97Å; L62-I99 HydrophobicContact CB-CG2 4.41Å; L62-I99 HydrophobicContact CD2-CG2 3.78Å; L62-R103 HydrophobicContact CB-CB 4.09Å; L62-R103 HydrophobicContact CB-CG 4.3Å; L62-R103 HydrophobicContact CD1-CB 4Å; L62-I106 HydrophobicContact CD1-CD1 3.83Å; L62-L141 HydrophobicContact CD2-CD1 4.33Å
63T97.7Very high95.3Very high36 Ų3644.1 Ų44.122%0.22122%0.221CC..Hα-helixtrans-60.9-44.7173.5-69.80000110.5H59 I65 L66 T67 R103H59-T63 PolarHBondContact NE2-OG1 3.28Å; H59-T63 VanDerWaalsContact O-CB 3.22Å; H59-T63 WeakPolarHBondContact O-CB 3.41Å; H59-T63 PolarHBondContact O-N 3.48Å; H59-T63 PolarHBondContact O-OG1 3.14Å; T63-I65 VanDerWaalsContact C-N 3.34Å; T63-I65 PolarHBondContact O-N 3.12Å; T63-L66 PolarHBondContact O-N 3.33Å; T63-L66 VanDerWaalsContact O-N 3.1Å; T63-T67 HydrophobicContact CG2-CG2 4.2Å; T63-T67 WeakPolarHBondContact O-CG2 3.46Å; T63-T67 PolarHBondContact O-N 3.39Å; T63-T67 PolarHBondContact O-OG1 2.73Å; T63-T67 VanDerWaalsContact O-OG1 3.12Å; T63-R103 WeakPolarHBondContact OG1-CD 3.45Å; T63-R103 PolarHBondContact OG1-NH1 3.34Å
64Q96.2Very high94.9Very high63 Ų6347.4 Ų47.429%0.29424%0.241SC..Hα-helixtrans-58-44.6176.4-178.9165.542.800112.6M10 D60 R61 L62 L66 T67 D68M10-Q64 HydrophobicContact SD-CG 4.45Å; M10-Q64 PolarHBondContact SD-NE2 3.27Å; M10-Q64 PolarHBondContact SD-OE1 2.88Å; D60-Q64 VanDerWaalsContact O-CB 3.29Å; D60-Q64 WeakPolarHBondContact O-CB 3.44Å; D60-Q64 PolarHBondContact O-N 3.13Å; R61-Q64 PolarHBondContact O-N 3.29Å; L62-Q64 VanDerWaalsContact C-N 3.33Å; Q64-L66 VanDerWaalsContact C-N 3.34Å; Q64-L66 PolarHBondContact O-N 3.49Å; Q64-T67 WeakPolarHBondContact CA-OG1 3.38Å; Q64-T67 PolarHBondContact O-N 2.95Å; Q64-T67 PolarHBondContact O-OG1 2.99Å; Q64-D68 WeakPolarHBondContact CG-OD2 3.29Å; Q64-D68 VanDerWaalsContact O-CB 3.29Å; Q64-D68 WeakPolarHBondContact O-CB 3.42Å; Q64-D68 PolarHBondContact O-N 3.24Å
65I95.9Very high94.6Very high6 Ų648.2 Ų48.23%0.03125%0.246CC..Hα-helixtrans-57.6-49.9173.9-67.4166.3000109.7V12 R61 L62 T63 T67 D68 F69 I99 L148 L151V12-I65 HydrophobicContact CG1-CD1 4.09Å; V12-I65 HydrophobicContact CG2-CG1 4.33Å; V12-I65 HydrophobicContact CG2-CG2 4.48Å; R61-I65 WeakPolarHBondContact O-CG1 3.28Å; R61-I65 PolarHBondContact O-N 3.33Å; R61-I65 VanDerWaalsContact O-N 3.1Å; L62-I65 PolarHBondContact O-N 3.37Å; T63-I65 VanDerWaalsContact C-N 3.34Å; T63-I65 PolarHBondContact O-N 3.12Å; I65-T67 VanDerWaalsContact C-N 3.28Å; I65-T67 PolarHBondContact O-N 3.14Å; I65-D68 PolarHBondContact O-N 3.49Å; I65-F69 HydrophobicContact CG2-CD2 3.91Å; I65-F69 HydrophobicContact CG2-CE2 3.94Å; I65-F69 VanDerWaalsContact O-CD2 3.29Å; I65-F69 WeakPolarHBondContact O-CD2 3.44Å; I65-F69 PolarHBondContact O-N 3.39Å; I65-I99 HydrophobicContact CG2-CG2 4.4Å; I65-L148 HydrophobicContact CD1-CD2 4.29Å; I65-L151 HydrophobicContact CG2-CD1 4.29Å
66L95.3Very high94.3Very high34 Ų3449.6 Ų49.618%0.17825%0.252CS..Hα-helixtrans-63.6-29.8-178.7-67168.5000114.2L62 T63 Q64 L96 I99 N100L62-L66 WeakPolarHBondContact O-CG 3.25Å; L62-L66 PolarHBondContact O-N 2.97Å; T63-L66 PolarHBondContact O-N 3.33Å; T63-L66 VanDerWaalsContact O-N 3.1Å; Q64-L66 VanDerWaalsContact C-N 3.34Å; Q64-L66 PolarHBondContact O-N 3.49Å; L66-L96 HydrophobicContact CD2-CB 4.31Å; L66-L96 HydrophobicContact CD2-CD2 4.24Å; L66-L96 WeakPolarHBondContact CD2-O 3.38Å; L66-I99 HydrophobicContact CD1-CG2 4.37Å; L66-I99 HydrophobicContact CD2-CB 4.14Å; L66-I99 HydrophobicContact CD2-CG2 3.9Å; L66-I99 HydrophobicContact CG-CG2 3.94Å; L66-N100 HydrophobicContact CD1-CB 3.92Å; L66-N100 HydrophobicContact CD2-CB 4.14Å
67T93.6Very high94Very high97 Ų9748.7 Ų48.760%0.59525%0.254SS*.Hα-helixtrans-86.2-33-179.753.10000113.3T63 Q64 I65T63-T67 HydrophobicContact CG2-CG2 4.2Å; T63-T67 WeakPolarHBondContact O-CG2 3.46Å; T63-T67 PolarHBondContact O-N 3.39Å; T63-T67 PolarHBondContact O-OG1 2.73Å; T63-T67 VanDerWaalsContact O-OG1 3.12Å; Q64-T67 WeakPolarHBondContact CA-OG1 3.38Å; Q64-T67 PolarHBondContact O-N 2.95Å; Q64-T67 PolarHBondContact O-OG1 2.99Å; I65-T67 VanDerWaalsContact C-N 3.28Å; I65-T67 PolarHBondContact O-N 3.14Å
68D92.7Very high93.7Very high51 Ų5147.4 Ų47.427%0.27325%0.247SC..Hα-helixtrans-74.9-35.8-176.1-71-0.6000111.3I9 M10 Q64 I65I9-D68 HydrophobicContact CB-CB 4.41Å; I9-D68 HydrophobicContact CG1-CB 4.44Å; I9-D68 WeakPolarHBondContact CG1-O 3.28Å; I9-D68 HydrophobicContact CG2-CB 3.97Å; M10-D68 PolarHBondContact N-OD2 2.88Å; Q64-D68 WeakPolarHBondContact CG-OD2 3.29Å; Q64-D68 VanDerWaalsContact O-CB 3.29Å; Q64-D68 WeakPolarHBondContact O-CB 3.42Å; Q64-D68 PolarHBondContact O-N 3.24Å; I65-D68 PolarHBondContact O-N 3.49Å
69F93.3Very high93.5Very high5 Ų547.6 Ų47.62%0.02225%0.248CC..SBendtrans-71.2135.3178.9-86.6-78.1000112I9 V12 I65 K71 Y92 L96 L151 V154 R155I9-F69 HydrophobicContact CD1-CD1 4.08Å; I9-F69 HydrophobicContact CD1-CE1 4.33Å; I9-F69 HydrophobicContact CG2-CD2 4.22Å; I9-F69 HydrophobicContact CG2-CE1 4.42Å; I9-F69 HydrophobicContact CG2-CE2 3.97Å; I9-F69 HydrophobicContact CG2-CZ 4.1Å; V12-F69 HydrophobicContact CG2-CE2 3.72Å; V12-F69 HydrophobicContact CG2-CZ 4.06Å; I65-F69 HydrophobicContact CG2-CD2 3.91Å; I65-F69 HydrophobicContact CG2-CE2 3.94Å; I65-F69 VanDerWaalsContact O-CD2 3.29Å; I65-F69 WeakPolarHBondContact O-CD2 3.44Å; I65-F69 PolarHBondContact O-N 3.39Å; F69-K71 PolarHBondContact O-N 2.96Å; F69-Y92 WeakPolarHBondContact CB-OH 3.5Å; F69-Y92 HydrophobicContact CD1-CE2 4.05Å; F69-Y92 VanDerWaalsContact CD1-OH 3.27Å; F69-Y92 WeakPolarHBondContact CD1-OH 3.49Å; F69-Y92 HydrophobicContact CE1-CE2 4.48Å; F69-L96 HydrophobicContact CB-CD1 4.23Å; F69-L96 HydrophobicContact CB-CD2 4.11Å; F69-L96 HydrophobicContact CD2-CD2 4.19Å; F69-L96 HydrophobicContact CG-CD2 4.24Å; F69-L151 HydrophobicContact CE1-CD2 4.22Å; F69-L151 HydrophobicContact CE2-CB 4.27Å; F69-L151 HydrophobicContact CE2-CD2 4.33Å; F69-L151 HydrophobicContact CZ-CB 3.98Å; F69-L151 HydrophobicContact CZ-CD2 4.09Å; F69-L151 WeakPolarHBondContact CZ-O 3.38Å; F69-V154 HydrophobicContact CE1-CG1 4.38Å; F69-R155 HydrophobicContact CE1-CB 4.29Å; F69-R155 HydrophobicContact CZ-CB 3.96Å
70P92Very high93.2Very high21 Ų2146 Ų4614%0.13624%0.243CC..  trans-67.4134-179.127.4-35.1000111.6F6 L72 I75 M83 Y92 L158F6-P70 HydrophobicContact CD1-CG 4.29Å; F6-P70 HydrophobicContact CE1-CB 4.22Å; F6-P70 HydrophobicContact CE1-CG 4.05Å; P70-L72 PolarHBondContact O-N 3.43Å; P70-I75 HydrophobicContact CB-CD1 4.05Å; P70-M83 HydrophobicContact CG-CE 3.88Å; P70-M83 HydrophobicContact CG-SD 3.95Å; P70-Y92 WeakPolarHBondContact CD-OH 3.42Å; P70-Y92 PolarHBondContact O-OH 3.04Å; P70-L158 HydrophobicContact CG-CD2 4.14Å
71K90.4Very high92.9Very high141 Ų14145.4 Ų45.461%0.61324%0.24SC*.  trans-76.6114171.4-65.9-179.2-179.1179.80109.6F69 D73 D74 I75F69-K71 PolarHBondContact O-N 2.96Å; K71-D73 PolarHBondContact O-N 2.98Å; K71-D74 HydrophobicContact CB-CB 4.19Å; K71-D74 VanDerWaalsContact CD-OD2 3.3Å; K71-D74 WeakPolarHBondContact CD-OD2 3.45Å; K71-D74 PolarHBondContact O-N 2.82Å; K71-I75 PolarHBondContact O-N 3.4Å; K71-I75 VanDerWaalsContact O-N 3.12Å
72L88.8Confident92.7Very high10 Ų1043.3 Ų43.35%0.05223%0.232CC..THydrogen-bonded Turntrans-61.2-25.6-176.7-62-176000114.4P70 I75 A80 M83 K89 Y92P70-L72 PolarHBondContact O-N 3.43Å; L72-I75 WeakPolarHBondContact O-CG2 3.42Å; L72-A80 VanDerWaalsContact O-CB 3.31Å; L72-A80 WeakPolarHBondContact O-CB 3.44Å; L72-M83 HydrophobicContact CD2-CB 3.6Å; L72-M83 HydrophobicContact CD2-CE 3.53Å; L72-M83 HydrophobicContact CD2-CG 4.05Å; L72-M83 HydrophobicContact CD2-SD 3.32Å; L72-M83 WeakPolarHBondContact CD2-SD 3.44Å; L72-K89 HydrophobicContact CD1-CB 4.24Å; L72-K89 HydrophobicContact CD1-CG 3.92Å; L72-Y92 HydrophobicContact CD1-CD1 3.46Å; L72-Y92 VanDerWaalsContact CD1-CD1 3.46Å; L72-Y92 HydrophobicContact CD1-CE1 4.02Å; L72-Y92 HydrophobicContact CD1-CG 4.06Å; L72-Y92 HydrophobicContact CD2-CD1 4.5Å; L72-Y92 HydrophobicContact CD2-CE1 4.28Å; L72-Y92 HydrophobicContact CG-CD1 3.79Å; L72-Y92 HydrophobicContact CG-CE1 3.8Å
73D88.9Confident92.4Very high102 Ų10243.4 Ų43.455%0.54523%0.233SC..THydrogen-bonded Turntrans-85.2-22.9-179.6-56.2-42.7000112.7K71 K89 K93K71-D73 PolarHBondContact O-N 2.98Å; D73-K89 WeakPolarHBondContact OD1-CE 3.38Å; D73-K89 IonicContact OD1-NZ 3.92Å; D73-K89 PolarHBondContact OD1-NZ 3.31Å; D73-K93 WeakPolarHBondContact OD1-CE 3.45Å; D73-K93 IonicContact OD1-NZ 2.78Å; D73-K93 PolarHBondContact OD1-NZ 3.39Å; D73-K93 WeakPolarHBondContact OD2-CE 3.43Å; D73-K93 IonicContact OD2-NZ 2.84Å; D73-K93 PolarHBondContact OD2-NZ 3.36Å
74D90.1Very high92.2Very high122 Ų12245 Ų4565%0.65224%0.24SC*.THydrogen-bonded Turntrans-98.8-12.2-178.7-64.7-26000112.4K71K71-D74 HydrophobicContact CB-CB 4.19Å; K71-D74 VanDerWaalsContact CD-OD2 3.3Å; K71-D74 WeakPolarHBondContact CD-OD2 3.45Å; K71-D74 PolarHBondContact O-N 2.82Å
75I90.6Very high91.9Very high17 Ų1743.6 Ų43.69%0.08724%0.235CC..SBendtrans-79.9161.4179.6-159.3166.2000111.1Y4 F6 P70 K71 L72 Y79 A80Y4-I75 HydrophobicContact CD1-CD1 3.9Å; Y4-I75 HydrophobicContact CD1-CG1 3.93Å; Y4-I75 HydrophobicContact CD2-CG1 4.47Å; Y4-I75 HydrophobicContact CE1-CD1 4.09Å; Y4-I75 HydrophobicContact CE1-CG1 3.58Å; Y4-I75 HydrophobicContact CE2-CG1 4.15Å; Y4-I75 HydrophobicContact CG-CD1 4.17Å; Y4-I75 HydrophobicContact CG-CG1 4.36Å; F6-I75 HydrophobicContact CE1-CD1 4Å; F6-I75 HydrophobicContact CZ-CD1 3.99Å; P70-I75 HydrophobicContact CB-CD1 4.05Å; K71-I75 PolarHBondContact O-N 3.4Å; K71-I75 VanDerWaalsContact O-N 3.12Å; L72-I75 WeakPolarHBondContact O-CG2 3.42Å; I75-Y79 HydrophobicContact CD1-CG 4.23Å; I75-A80 HydrophobicContact CG2-CB 3.75Å
76H91.3Very high91.6Very high45 Ų4545.2 Ų45.221%0.20824%0.244CC..  trans-56.1138.5175.6-172.7-82.2000111.5Y4 F78 Y79 A80 P166Y4-H76 HydrophobicContact CE2-CB 3.97Å; Y4-H76 PolarHBondContact OH-N 3.42Å; H76-F78 VanDerWaalsContact C-N 3.28Å; H76-F78 VanDerWaalsContact ND1-CB 3.32Å; H76-F78 WeakPolarHBondContact ND1-CB 3.29Å; H76-F78 PolarHBondContact ND1-N 3.47Å; H76-F78 VanDerWaalsContact ND1-N 3.13Å; H76-F78 PolarHBondContact O-N 3.24Å; H76-F78 VanDerWaalsContact O-N 3.12Å; H76-Y79 PolarHBondContact O-N 2.97Å; H76-A80 PolarHBondContact O-N 3.41Å; H76-P166 HydrophobicContact CB-CG 4.42Å; H76-P166 VanDerWaalsContact CE1-CB 3.48Å; H76-P166 WeakPolarHBondContact CE1-CB 3.47Å
77P92.3Very high91.4Very high69 Ų6944.6 Ų44.645%0.44824%0.239SC..Hα-helixtrans-48.4-43.7-177.7-32.136.2000114.6Y79 A80 D81P77-Y79 VanDerWaalsContact C-N 3.33Å; P77-Y79 PolarHBondContact O-N 3.35Å; P77-A80 PolarHBondContact O-N 3.11Å; P77-A80 VanDerWaalsContact O-N 3.13Å; P77-D81 PolarHBondContact O-N 3.37Å
78F92.6Very high91.3Very high0 Ų043.9 Ų43.90%023%0.232CC..Hα-helixtrans-47-51172174-114.2000113.7H76 L82 I164 P166 L205 T242 A243 H246 L247H76-F78 VanDerWaalsContact C-N 3.28Å; H76-F78 VanDerWaalsContact ND1-CB 3.32Å; H76-F78 WeakPolarHBondContact ND1-CB 3.29Å; H76-F78 PolarHBondContact ND1-N 3.47Å; H76-F78 VanDerWaalsContact ND1-N 3.13Å; H76-F78 PolarHBondContact O-N 3.24Å; H76-F78 VanDerWaalsContact O-N 3.12Å; F78-L82 HydrophobicContact CE1-CD2 4.42Å; F78-L82 HydrophobicContact CZ-CD2 4.17Å; F78-L82 WeakPolarHBondContact O-CB 3.49Å; F78-L82 PolarHBondContact O-N 3.46Å; F78-I164 HydrophobicContact CE1-CB 4.09Å; F78-I164 HydrophobicContact CE1-CD1 4.12Å; F78-I164 HydrophobicContact CE1-CG2 4.14Å; F78-I164 HydrophobicContact CZ-CD1 3.93Å; F78-P166 HydrophobicContact CB-CB 4.45Å; F78-L205 HydrophobicContact CE2-CD1 4.42Å; F78-L205 HydrophobicContact CZ-CD1 4.11Å; F78-T242 HydrophobicContact CD2-CG2 4.2Å; F78-T242 HydrophobicContact CE2-CG2 4.45Å; F78-A243 HydrophobicContact CE2-CB 4.17Å; F78-H246 HydrophobicContact CB-CB 3.71Å; F78-H246 HydrophobicContact CD2-CB 4.04Å; F78-H246 HydrophobicContact CG-CB 4.33Å; F78-L247 HydrophobicContact CD1-CD2 4.26Å; F78-L247 HydrophobicContact CD2-CD2 4.06Å; F78-L247 HydrophobicContact CD2-CG 4.23Å; F78-L247 HydrophobicContact CE1-CD2 4.31Å; F78-L247 HydrophobicContact CE2-CD1 4.34Å; F78-L247 HydrophobicContact CE2-CD2 4.12Å; F78-L247 HydrophobicContact CE2-CG 4.12Å; F78-L247 HydrophobicContact CG-CD2 4.13Å; F78-L247 HydrophobicContact CZ-CD2 4.24Å
79Y91.9Very high91.3Very high4 Ų444.7 Ų44.72%0.01623%0.233CC..Hα-helixtrans-77.3-32.3-178.7-80.1-65000112.1Y4 F6 I75 H76 P77 L82 M83 I164Y4-Y79 AromaticContact CD2-CD2 3.52Å; Y4-Y79 HydrophobicContact CD2-CD2 3.52Å; Y4-Y79 AromaticContact CD2-CE2 3.52Å; Y4-Y79 HydrophobicContact CD2-CE2 3.52Å; Y4-Y79 AromaticContact CE2-CD2 3.94Å; Y4-Y79 HydrophobicContact CE2-CD2 3.94Å; Y4-Y79 HydrophobicContact CE2-CE2 4.25Å; Y4-Y79 HydrophobicContact CG-CD2 4.3Å; Y4-Y79 HydrophobicContact CG-CE2 4.33Å; F6-Y79 AromaticContact CE2-CD1 3.8Å; F6-Y79 HydrophobicContact CE2-CD1 3.8Å; F6-Y79 AromaticContact CE2-CE1 3.59Å; F6-Y79 HydrophobicContact CE2-CE1 3.59Å; F6-Y79 AromaticContact CZ-CD1 3.8Å; F6-Y79 HydrophobicContact CZ-CD1 3.8Å; F6-Y79 AromaticContact CZ-CE1 3.99Å; F6-Y79 HydrophobicContact CZ-CE1 3.99Å; F6-Y79 HydrophobicContact CZ-CG 4.17Å; I75-Y79 HydrophobicContact CD1-CG 4.23Å; H76-Y79 PolarHBondContact O-N 2.97Å; P77-Y79 VanDerWaalsContact C-N 3.33Å; P77-Y79 PolarHBondContact O-N 3.35Å; Y79-L82 HydrophobicContact CD1-CD2 4.36Å; Y79-M83 VanDerWaalsContact O-CB 3.27Å; Y79-M83 WeakPolarHBondContact O-CB 3.36Å; Y79-M83 WeakPolarHBondContact O-CG 3.42Å; Y79-M83 PolarHBondContact O-N 2.87Å; Y79-I164 WeakPolarHBondContact CE2-O 3.35Å; Y79-I164 PolarHBondContact OH-N 3.3Å; Y79-I164 PolarHBondContact OH-O 3.29Å
80A91.9Very high91.3Very high14 Ų1449.6 Ų49.612%0.11626%0.259CS..Hα-helixtrans-61.2-47.9175.400000111L72 I75 H76 P77 M83 N84L72-A80 VanDerWaalsContact O-CB 3.31Å; L72-A80 WeakPolarHBondContact O-CB 3.44Å; I75-A80 HydrophobicContact CG2-CB 3.75Å; H76-A80 PolarHBondContact O-N 3.41Å; P77-A80 PolarHBondContact O-N 3.11Å; P77-A80 VanDerWaalsContact O-N 3.13Å; A80-M83 PolarHBondContact O-N 3.14Å; A80-N84 WeakPolarHBondContact O-CB 3.41Å; A80-N84 PolarHBondContact O-N 3.06Å
81D92.2Very high91.4Very high66 Ų6652.9 Ų52.935%0.35327%0.273SS..Hα-helixtrans-73.4-37.7-179.7-69.9-9000111.6P77 M83 N84 V85 T242 H246P77-D81 PolarHBondContact O-N 3.37Å; D81-M83 VanDerWaalsContact C-N 3.29Å; D81-M83 PolarHBondContact O-N 3.43Å; D81-N84 WeakPolarHBondContact O-CB 3.41Å; D81-N84 PolarHBondContact O-N 2.96Å; D81-N84 VanDerWaalsContact O-N 3.14Å; D81-V85 WeakPolarHBondContact O-CG2 3.45Å; D81-V85 PolarHBondContact O-N 3.45Å; D81-T242 HydrophobicContact CB-CG2 3.8Å; D81-H246 IonicContact OD2-CD2 3.71Å; D81-H246 IonicContact OD2-CE1 2.8Å; D81-H246 PolarHBondContact OD2-CE1 2.97Å; D81-H246 IonicContact OD2-NE2 3.98Å; D81-H246 PolarHBondContact OD2-NE2 3.49Å
82L91.6Very high91.7Very high7 Ų746.3 Ų46.34%0.03724%0.244CC..Hα-helixtrans-60.9-41.6173.5-178.263.4000111.2F78 Y79 V85 L86 L205 Q239 T242F78-L82 HydrophobicContact CE1-CD2 4.42Å; F78-L82 HydrophobicContact CZ-CD2 4.17Å; F78-L82 WeakPolarHBondContact O-CB 3.49Å; F78-L82 PolarHBondContact O-N 3.46Å; Y79-L82 HydrophobicContact CD1-CD2 4.36Å; L82-V85 PolarHBondContact O-N 3.15Å; L82-L86 HydrophobicContact CD1-CD1 4.09Å; L82-L86 HydrophobicContact CD1-CG 4.4Å; L82-L86 HydrophobicContact CG-CD1 4Å; L82-L86 WeakPolarHBondContact O-CB 3.5Å; L82-L86 VanDerWaalsContact O-CG 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.41Å; L82-L86 PolarHBondContact O-N 2.87Å; L82-L205 HydrophobicContact CD1-CD1 4.34Å; L82-Q239 HydrophobicContact CD1-CB 4.2Å; L82-Q239 HydrophobicContact CD1-CG 3.83Å; L82-T242 HydrophobicContact CB-CG2 4.23Å
83M91.6Very high92Very high2 Ų249.5 Ų49.51%0.0126%0.258CS..Hα-helixtrans-70.6-31.9175.4-73.3-17473.200112.5P70 L72 Y79 A80 D81 L86 Y87 Y92 L158P70-M83 HydrophobicContact CG-CE 3.88Å; P70-M83 HydrophobicContact CG-SD 3.95Å; L72-M83 HydrophobicContact CD2-CB 3.6Å; L72-M83 HydrophobicContact CD2-CE 3.53Å; L72-M83 HydrophobicContact CD2-CG 4.05Å; L72-M83 HydrophobicContact CD2-SD 3.32Å; L72-M83 WeakPolarHBondContact CD2-SD 3.44Å; Y79-M83 VanDerWaalsContact O-CB 3.27Å; Y79-M83 WeakPolarHBondContact O-CB 3.36Å; Y79-M83 WeakPolarHBondContact O-CG 3.42Å; Y79-M83 PolarHBondContact O-N 2.87Å; A80-M83 PolarHBondContact O-N 3.14Å; D81-M83 VanDerWaalsContact C-N 3.29Å; D81-M83 PolarHBondContact O-N 3.43Å; M83-L86 PolarHBondContact O-N 3.24Å; M83-Y87 HydrophobicContact CB-CD2 4.01Å; M83-Y87 HydrophobicContact CB-CE2 4.5Å; M83-Y87 HydrophobicContact CE-CD2 4.02Å; M83-Y87 HydrophobicContact CE-CE2 4.21Å; M83-Y87 HydrophobicContact CG-CD2 4.03Å; M83-Y87 HydrophobicContact CG-CE2 4.05Å; M83-Y87 WeakPolarHBondContact O-CB 3.42Å; M83-Y87 PolarHBondContact O-N 3.31Å; M83-Y92 HydrophobicContact CE-CE2 4.01Å; M83-L158 HydrophobicContact CE-CD1 4.03Å; M83-L158 HydrophobicContact CG-CD1 4.38Å; M83-L158 HydrophobicContact SD-CD1 4.16Å
84N92.3Very high92.3Very high70 Ų7049.9 Ų49.937%0.37426%0.259SS..Hα-helixtrans-61.7-47.8173.1-17236.4000111A80 D81 D88 K89A80-N84 WeakPolarHBondContact O-CB 3.41Å; A80-N84 PolarHBondContact O-N 3.06Å; D81-N84 WeakPolarHBondContact O-CB 3.41Å; D81-N84 PolarHBondContact O-N 2.96Å; D81-N84 VanDerWaalsContact O-N 3.14Å; N84-D88 WeakPolarHBondContact O-CA 3.34Å; N84-D88 PolarHBondContact O-N 3.14Å; N84-D88 VanDerWaalsContact O-N 3.15Å; N84-K89 HydrophobicContact CB-CB 4.27Å; N84-K89 WeakPolarHBondContact OD1-CB 3.37Å; N84-K89 PolarHBondContact OD1-N 3.04Å
85V90.6Very high92.6Very high32 Ų3244.2 Ų44.219%0.19423%0.229CC..Hα-helixtrans-64.6-40.4177.9173.90000111.9D81 L82 T235 M238 Q239D81-V85 WeakPolarHBondContact O-CG2 3.45Å; D81-V85 PolarHBondContact O-N 3.45Å; L82-V85 PolarHBondContact O-N 3.15Å; V85-T235 WeakPolarHBondContact CG1-O 3.43Å; V85-M238 HydrophobicContact CG1-CB 3.67Å; V85-M238 HydrophobicContact CG2-CB 4.02Å; V85-Q239 HydrophobicContact CG1-CG 4.31Å
86L90.3Very high92.9Very high40 Ų4044.7 Ų44.721%0.20923%0.231CC..Hα-helixtrans-81.6-36.8-174.3-73.6176.3000114.5L82 M83 L161 Q239L82-L86 HydrophobicContact CD1-CD1 4.09Å; L82-L86 HydrophobicContact CD1-CG 4.4Å; L82-L86 HydrophobicContact CG-CD1 4Å; L82-L86 WeakPolarHBondContact O-CB 3.5Å; L82-L86 VanDerWaalsContact O-CG 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.41Å; L82-L86 PolarHBondContact O-N 2.87Å; M83-L86 PolarHBondContact O-N 3.24Å; L86-L161 HydrophobicContact CD1-CD1 4.09Å; L86-L161 HydrophobicContact CD1-CD2 4.09Å; L86-Q239 HydrophobicContact CD2-CG 4.34Å; L86-Q239 VanDerWaalsContact CD2-NE2 3.3Å
87Y90.6Very high93.2Very high22 Ų2244 Ų449%0.08624%0.236CC..Hα-helixtrans-124.4-3.7-164.9-53.7-58.3000114.6M83 Y150 V154 H157 L158M83-Y87 HydrophobicContact CB-CD2 4.01Å; M83-Y87 HydrophobicContact CB-CE2 4.5Å; M83-Y87 HydrophobicContact CE-CD2 4.02Å; M83-Y87 HydrophobicContact CE-CE2 4.21Å; M83-Y87 HydrophobicContact CG-CD2 4.03Å; M83-Y87 HydrophobicContact CG-CE2 4.05Å; M83-Y87 WeakPolarHBondContact O-CB 3.42Å; M83-Y87 PolarHBondContact O-N 3.31Å; Y87-Y150 PolarHBondContact O-OH 3.45Å; Y87-V154 HydrophobicContact CD1-CB 4.35Å; Y87-V154 HydrophobicContact CD1-CG1 3.98Å; Y87-V154 HydrophobicContact CD1-CG2 3.86Å; Y87-V154 HydrophobicContact CD2-CG1 4.18Å; Y87-V154 HydrophobicContact CE1-CB 4.47Å; Y87-V154 HydrophobicContact CE1-CG1 4.04Å; Y87-V154 HydrophobicContact CE1-CG2 4.41Å; Y87-V154 HydrophobicContact CE2-CG1 4.26Å; Y87-V154 HydrophobicContact CG-CG1 4.04Å; Y87-V154 HydrophobicContact CG-CG2 4.28Å; Y87-H157 HydrophobicContact CE1-CB 4.04Å; Y87-H157 AromaticContact CE1-ND1 3.37Å; Y87-H157 WeakPolarHBondContact CE1-ND1 3.49Å; Y87-H157 AromaticContact CZ-ND1 3.42Å; Y87-H157 PolarHBondContact OH-ND1 3.09Å; Y87-L158 HydrophobicContact CE2-CD1 3.72Å; Y87-L158 WeakPolarHBondContact OH-CA 3.46Å; Y87-L158 PolarHBondContact OH-N 3.49Å
88D91.5Very high93.4Very high81 Ų8144.6 Ų44.643%0.43323%0.233SC..  trans58.1111.2-166.5177.212.1000112N84 D90 H91 Y92N84-D88 WeakPolarHBondContact O-CA 3.34Å; N84-D88 PolarHBondContact O-N 3.14Å; N84-D88 VanDerWaalsContact O-N 3.15Å; D88-D90 PolarHBondContact O-N 2.8Å; D88-D90 PolarHBondContact OD1-N 2.92Å; D88-H91 HydrophobicContact CB-CB 4.22Å; D88-H91 PolarHBondContact O-N 2.67Å; D88-Y92 WeakPolarHBondContact O-CB 3.21Å; D88-Y92 PolarHBondContact O-N 3.02Å
89K91.9Very high93.6Very high68 Ų6844.6 Ų44.630%0.29623%0.233SC..Hα-helixtrans-56.8-36.9-178176.6176.1-177.81740112.2L72 D73 N84 K93L72-K89 HydrophobicContact CD1-CB 4.24Å; L72-K89 HydrophobicContact CD1-CG 3.92Å; D73-K89 WeakPolarHBondContact OD1-CE 3.38Å; D73-K89 IonicContact OD1-NZ 3.92Å; D73-K89 PolarHBondContact OD1-NZ 3.31Å; N84-K89 HydrophobicContact CB-CB 4.27Å; N84-K89 WeakPolarHBondContact OD1-CB 3.37Å; N84-K89 PolarHBondContact OD1-N 3.04Å; K89-K93 VanDerWaalsContact CE-CE 3.47Å; K89-K93 HydrophobicContact CG-CD 4.41Å; K89-K93 WeakPolarHBondContact O-CB 3.35Å; K89-K93 WeakPolarHBondContact O-CG 3.35Å; K89-K93 PolarHBondContact O-N 2.88Å
90D93.8Very high93.9Very high108 Ų10847.1 Ų47.158%0.57825%0.247SC*.Hα-helixtrans-74.8-45.8-174.7-72.5-21.5000110.7D88 Y92 K93 L94D88-D90 PolarHBondContact O-N 2.8Å; D88-D90 PolarHBondContact OD1-N 2.92Å; D90-Y92 VanDerWaalsContact C-N 3.3Å; D90-Y92 PolarHBondContact O-N 3.44Å; D90-K93 PolarHBondContact O-N 2.76Å; D90-L94 WeakPolarHBondContact O-CB 3.43Å; D90-L94 WeakPolarHBondContact O-CG 3.46Å; D90-L94 PolarHBondContact O-N 3.49Å
91H95Very high94.2Very high90 Ų9051.1 Ų51.142%0.41727%0.265SS..Hα-helixtrans-60.4-41.7174.7-157.480.3000111.9D88 L94 A95 Y150D88-H91 HydrophobicContact CB-CB 4.22Å; D88-H91 PolarHBondContact O-N 2.67Å; H91-L94 PolarHBondContact O-N 3.43Å; H91-A95 WeakPolarHBondContact O-CB 3.49Å; H91-A95 PolarHBondContact O-N 3.12Å; H91-Y150 AromaticContact CD2-CD1 3.81Å; H91-Y150 AromaticContact CD2-CD2 3.67Å; H91-Y150 AromaticContact CD2-CE1 3.7Å; H91-Y150 AromaticContact CD2-CE2 3.52Å; H91-Y150 AromaticContact CD2-CG 3.8Å; H91-Y150 AromaticContact CD2-CZ 3.54Å; H91-Y150 AromaticContact NE2-CG 3.94Å
92Y95.3Very high94.4Very high3 Ų348 Ų481%0.01225%0.248CC..Hα-helixtrans-60.1-49.1177.1-175.1-94.1000112.9F69 P70 L72 M83 D88 D90 A95 L96 Y150 L151 V154F69-Y92 WeakPolarHBondContact CB-OH 3.5Å; F69-Y92 HydrophobicContact CD1-CE2 4.05Å; F69-Y92 VanDerWaalsContact CD1-OH 3.27Å; F69-Y92 WeakPolarHBondContact CD1-OH 3.49Å; F69-Y92 HydrophobicContact CE1-CE2 4.48Å; P70-Y92 WeakPolarHBondContact CD-OH 3.42Å; P70-Y92 PolarHBondContact O-OH 3.04Å; L72-Y92 HydrophobicContact CD1-CD1 3.46Å; L72-Y92 VanDerWaalsContact CD1-CD1 3.46Å; L72-Y92 HydrophobicContact CD1-CE1 4.02Å; L72-Y92 HydrophobicContact CD1-CG 4.06Å; L72-Y92 HydrophobicContact CD2-CD1 4.5Å; L72-Y92 HydrophobicContact CD2-CE1 4.28Å; L72-Y92 HydrophobicContact CG-CD1 3.79Å; L72-Y92 HydrophobicContact CG-CE1 3.8Å; M83-Y92 HydrophobicContact CE-CE2 4.01Å; D88-Y92 WeakPolarHBondContact O-CB 3.21Å; D88-Y92 PolarHBondContact O-N 3.02Å; D90-Y92 VanDerWaalsContact C-N 3.3Å; D90-Y92 PolarHBondContact O-N 3.44Å; Y92-A95 PolarHBondContact O-N 3.41Å; Y92-L96 HydrophobicContact CD1-CD1 4.02Å; Y92-L96 HydrophobicContact CE1-CD1 3.4Å; Y92-L96 HydrophobicContact CE1-CG 4.43Å; Y92-L96 PolarHBondContact O-N 3.11Å; Y92-L96 VanDerWaalsContact O-N 3.17Å; Y92-Y150 HydrophobicContact CD2-CE1 4.44Å; Y92-L151 HydrophobicContact CE2-CD2 4.46Å; Y92-V154 HydrophobicContact CD2-CG1 4.23Å; Y92-V154 HydrophobicContact CE2-CG1 3.95Å
93K95.4Very high94.7Very high78 Ų7850.1 Ų50.134%0.33926%0.256SS..Hα-helixtrans-66.5-40178.2-76.2-172.5-178.4-1690112.2D73 K89 D90 L96 G97D73-K93 WeakPolarHBondContact OD1-CE 3.45Å; D73-K93 IonicContact OD1-NZ 2.78Å; D73-K93 PolarHBondContact OD1-NZ 3.39Å; D73-K93 WeakPolarHBondContact OD2-CE 3.43Å; D73-K93 IonicContact OD2-NZ 2.84Å; D73-K93 PolarHBondContact OD2-NZ 3.36Å; K89-K93 VanDerWaalsContact CE-CE 3.47Å; K89-K93 HydrophobicContact CG-CD 4.41Å; K89-K93 WeakPolarHBondContact O-CB 3.35Å; K89-K93 WeakPolarHBondContact O-CG 3.35Å; K89-K93 PolarHBondContact O-N 2.88Å; D90-K93 PolarHBondContact O-N 2.76Å; K93-L96 PolarHBondContact O-N 3.01Å; K93-G97 PolarHBondContact O-N 2.92Å
94L96.1Very high95Very high110 Ų11053.3 Ų53.358%0.57627%0.273SS*.Hα-helixtrans-62.1-43.5176.7-74.1172.4000111.3D90 H91 G97 Q98D90-L94 WeakPolarHBondContact O-CB 3.43Å; D90-L94 WeakPolarHBondContact O-CG 3.46Å; D90-L94 PolarHBondContact O-N 3.49Å; H91-L94 PolarHBondContact O-N 3.43Å; L94-G97 PolarHBondContact O-N 3.02Å; L94-Q98 VanDerWaalsContact O-CG 3.29Å; L94-Q98 WeakPolarHBondContact O-CG 3.12Å; L94-Q98 PolarHBondContact O-N 3.21Å
95A96.6Very high95.3Very high2 Ų253 Ų532%0.01727%0.271CS..Hα-helixtrans-60-51.6177.200000111.7H91 Y92 G97 Q98 I99 Y150 L151H91-A95 WeakPolarHBondContact O-CB 3.49Å; H91-A95 PolarHBondContact O-N 3.12Å; Y92-A95 PolarHBondContact O-N 3.41Å; A95-G97 VanDerWaalsContact C-N 3.33Å; A95-G97 PolarHBondContact O-N 3.12Å; A95-Q98 PolarHBondContact O-N 3.24Å; A95-I99 WeakPolarHBondContact O-CG1 3.3Å; A95-I99 PolarHBondContact O-N 3.35Å; A95-I99 VanDerWaalsContact O-N 3.12Å; A95-Y150 HydrophobicContact CB-CD1 3.81Å; A95-Y150 HydrophobicContact CB-CE1 4.04Å; A95-L151 HydrophobicContact CB-CD1 4.48Å; A95-L151 HydrophobicContact CB-CD2 4.26Å; A95-L151 HydrophobicContact CB-CG 4.19Å
96L96.3Very high95.6Very high27 Ų2751.5 Ų51.514%0.14126%0.262CS..Hα-helixtrans-63.7-37.4176.7-69.4176.8000112.4L66 F69 Y92 K93 Q98 I99 N100 L151L66-L96 HydrophobicContact CD2-CB 4.31Å; L66-L96 HydrophobicContact CD2-CD2 4.24Å; L66-L96 WeakPolarHBondContact CD2-O 3.38Å; F69-L96 HydrophobicContact CB-CD1 4.23Å; F69-L96 HydrophobicContact CB-CD2 4.11Å; F69-L96 HydrophobicContact CD2-CD2 4.19Å; F69-L96 HydrophobicContact CG-CD2 4.24Å; Y92-L96 HydrophobicContact CD1-CD1 4.02Å; Y92-L96 HydrophobicContact CE1-CD1 3.4Å; Y92-L96 HydrophobicContact CE1-CG 4.43Å; Y92-L96 PolarHBondContact O-N 3.11Å; Y92-L96 VanDerWaalsContact O-N 3.17Å; K93-L96 PolarHBondContact O-N 3.01Å; L96-Q98 PolarHBondContact O-N 3.27Å; L96-I99 PolarHBondContact O-N 3.33Å; L96-N100 PolarHBondContact O-N 3.36Å; L96-L151 HydrophobicContact CD2-CD1 4.01Å; L96-L151 HydrophobicContact CD2-CD2 3.95Å; L96-L151 HydrophobicContact CG-CD2 4.23Å
97G96.8Very high96Very high30 Ų3051.1 Ų51.131%0.30926%0.26SS..Hα-helixtrans-59.3-45.1174.300000112.2K93 L94 A95 I99 N100 I101K93-G97 PolarHBondContact O-N 2.92Å; L94-G97 PolarHBondContact O-N 3.02Å; A95-G97 VanDerWaalsContact C-N 3.33Å; A95-G97 PolarHBondContact O-N 3.12Å; G97-I99 PolarHBondContact O-N 3.11Å; G97-N100 WeakPolarHBondContact O-CB 3.41Å; G97-N100 PolarHBondContact O-N 2.87Å; G97-I101 WeakPolarHBondContact O-CG1 3.16Å; G97-I101 PolarHBondContact O-N 3.03Å
98Q96.8Very high96.4Very high82 Ų8254.4 Ų54.438%0.38328%0.279SS..Hα-helixtrans-63.6-39176-71.5176.911.600112.7L94 A95 L96 N100 I101 A102 S147L94-Q98 VanDerWaalsContact O-CG 3.29Å; L94-Q98 WeakPolarHBondContact O-CG 3.12Å; L94-Q98 PolarHBondContact O-N 3.21Å; A95-Q98 PolarHBondContact O-N 3.24Å; L96-Q98 PolarHBondContact O-N 3.27Å; Q98-N100 VanDerWaalsContact C-N 3.35Å; Q98-I101 PolarHBondContact O-N 2.85Å; Q98-A102 WeakPolarHBondContact O-CB 3.38Å; Q98-A102 PolarHBondContact O-N 2.85Å; Q98-S147 PolarHBondContact OE1-OG 2.91Å
99I97.2Very high96.7Very high0 Ų051.5 Ų51.50%027%0.265CS..Hα-helixtrans-62.8-41.8174.4-65.2-51.5000110.9L62 I65 L66 A95 L96 G97 A102 R103 Q144 L148 L151L62-I99 HydrophobicContact CB-CG2 4.41Å; L62-I99 HydrophobicContact CD2-CG2 3.78Å; I65-I99 HydrophobicContact CG2-CG2 4.4Å; L66-I99 HydrophobicContact CD1-CG2 4.37Å; L66-I99 HydrophobicContact CD2-CB 4.14Å; L66-I99 HydrophobicContact CD2-CG2 3.9Å; L66-I99 HydrophobicContact CG-CG2 3.94Å; A95-I99 WeakPolarHBondContact O-CG1 3.3Å; A95-I99 PolarHBondContact O-N 3.35Å; A95-I99 VanDerWaalsContact O-N 3.12Å; L96-I99 PolarHBondContact O-N 3.33Å; G97-I99 PolarHBondContact O-N 3.11Å; I99-A102 PolarHBondContact O-N 3.38Å; I99-R103 PolarHBondContact O-N 3.18Å; I99-Q144 HydrophobicContact CD1-CB 4.23Å; I99-Q144 HydrophobicContact CD1-CG 4.5Å; I99-L148 HydrophobicContact CD1-CD2 3.69Å; I99-L148 HydrophobicContact CD1-CG 4.05Å; I99-L151 HydrophobicContact CG1-CD1 3.88Å
100N97.7Very high97Very high57 Ų5748.3 Ų48.331%0.30525%0.251SS..Hα-helixtrans-64.1-42.9175.8-175.138.1000112.5L66 L96 G97 Q98 A102 R103 N104L66-N100 HydrophobicContact CD1-CB 3.92Å; L66-N100 HydrophobicContact CD2-CB 4.14Å; L96-N100 PolarHBondContact O-N 3.36Å; G97-N100 WeakPolarHBondContact O-CB 3.41Å; G97-N100 PolarHBondContact O-N 2.87Å; Q98-N100 VanDerWaalsContact C-N 3.35Å; N100-A102 VanDerWaalsContact C-N 3.34Å; N100-A102 PolarHBondContact O-N 3.21Å; N100-R103 WeakPolarHBondContact O-CB 3.47Å; N100-R103 PolarHBondContact O-N 3.32Å; N100-R103 PolarHBondContact OD1-NH2 2.7Å; N100-N104 PolarHBondContact O-N 3.36Å; N100-N104 VanDerWaalsContact O-N 3.15Å
101I97.8Very high97.2Very high98 Ų9848.9 Ų48.950%0.50325%0.248SC..Hα-helixtrans-62.5-43.2174.7-65.4166.8000110.5G97 Q98 R103 N104 L105G97-I101 WeakPolarHBondContact O-CG1 3.16Å; G97-I101 PolarHBondContact O-N 3.03Å; Q98-I101 PolarHBondContact O-N 2.85Å; I101-R103 PolarHBondContact O-N 3.06Å; I101-N104 PolarHBondContact O-N 3.37Å; I101-L105 HydrophobicContact CG2-CD1 3.82Å; I101-L105 HydrophobicContact CG2-CG 4.28Å; I101-L105 WeakPolarHBondContact O-CG 3.2Å; I101-L105 PolarHBondContact O-N 2.92Å
102A97.6Very high97.3Very high0 Ų047.9 Ų47.90%025%0.246CC..Hα-helixtrans-60.2-43.7177.900000112.2Q98 I99 N100 N104 L105 I106 I140 Q144Q98-A102 WeakPolarHBondContact O-CB 3.38Å; Q98-A102 PolarHBondContact O-N 2.85Å; I99-A102 PolarHBondContact O-N 3.38Å; N100-A102 VanDerWaalsContact C-N 3.34Å; N100-A102 PolarHBondContact O-N 3.21Å; A102-N104 PolarHBondContact O-N 3.3Å; A102-L105 PolarHBondContact O-N 3.41Å; A102-I106 WeakPolarHBondContact O-CG1 3.44Å; A102-I106 PolarHBondContact O-N 3.2Å; A102-I140 HydrophobicContact CB-CG2 3.98Å; A102-Q144 HydrophobicContact CB-CG 4.13Å; A102-Q144 VanDerWaalsContact CB-OE1 3.31Å
103R97.8Very high97.4Very high53 Ų5348.5 Ų48.520%0.225%0.248CC..Hα-helixtrans-55-52.4173.8-177.7-17465.8171.5-2.3111.2L62 T63 I99 N100 I101 L105 I106 D107L62-R103 HydrophobicContact CB-CB 4.09Å; L62-R103 HydrophobicContact CB-CG 4.3Å; L62-R103 HydrophobicContact CD1-CB 4Å; T63-R103 WeakPolarHBondContact OG1-CD 3.45Å; T63-R103 PolarHBondContact OG1-NH1 3.34Å; I99-R103 PolarHBondContact O-N 3.18Å; N100-R103 WeakPolarHBondContact O-CB 3.47Å; N100-R103 PolarHBondContact O-N 3.32Å; N100-R103 PolarHBondContact OD1-NH2 2.7Å; I101-R103 PolarHBondContact O-N 3.06Å; R103-L105 VanDerWaalsContact C-N 3.34Å; R103-L105 PolarHBondContact O-N 3.32Å; R103-I106 PolarHBondContact O-N 3.17Å; R103-D107 PolarHBondContact O-N 3.39Å; R103-D107 VanDerWaalsContact O-N 3.11Å
104N98.1Very high97.6Very high69 Ų6946 Ų4637%0.36924%0.239SC..Hα-helixtrans-64.1-38.3-178.3-64.5-14.5000112.2N100 I101 A102 D107 N108N100-N104 PolarHBondContact O-N 3.36Å; N100-N104 VanDerWaalsContact O-N 3.15Å; I101-N104 PolarHBondContact O-N 3.37Å; A102-N104 PolarHBondContact O-N 3.3Å; N104-D107 PolarHBondContact O-N 3.1Å; N104-N108 VanDerWaalsContact O-CG 3.31Å; N104-N108 PolarHBondContact O-N 2.98Å; N104-N108 PolarHBondContact O-ND2 3.4Å
105L98.1Very high97.6Very high63 Ų6346.6 Ų46.633%0.3323%0.234SC..Hα-helixtrans-65-42176.3-73.7169.2000112.1I101 A102 R103 D107 N108 V109 I140I101-L105 HydrophobicContact CG2-CD1 3.82Å; I101-L105 HydrophobicContact CG2-CG 4.28Å; I101-L105 WeakPolarHBondContact O-CG 3.2Å; I101-L105 PolarHBondContact O-N 2.92Å; A102-L105 PolarHBondContact O-N 3.41Å; R103-L105 VanDerWaalsContact C-N 3.34Å; R103-L105 PolarHBondContact O-N 3.32Å; L105-D107 VanDerWaalsContact C-N 3.32Å; L105-D107 PolarHBondContact O-N 2.88Å; L105-N108 PolarHBondContact O-N 3.4Å; L105-V109 WeakPolarHBondContact O-CB 3.42Å; L105-V109 VanDerWaalsContact O-CG2 3.28Å; L105-V109 WeakPolarHBondContact O-CG2 3.48Å; L105-V109 PolarHBondContact O-N 2.92Å; L105-I140 HydrophobicContact CB-CD1 3.88Å; L105-I140 HydrophobicContact CB-CG2 4.46Å
106I97.7Very high97.6Very high0 Ų050.8 Ų50.80%026%0.256CS..Hα-helixtrans-62.3-42.2177.5-72.3167.7000110.8Q55 Y58 L62 A102 R103 V109 A110 M137 I140Q55-I106 HydrophobicContact CG-CG2 4.24Å; Y58-I106 HydrophobicContact CD2-CG2 4.32Å; Y58-I106 HydrophobicContact CG-CD1 4.23Å; L62-I106 HydrophobicContact CD1-CD1 3.83Å; A102-I106 WeakPolarHBondContact O-CG1 3.44Å; A102-I106 PolarHBondContact O-N 3.2Å; R103-I106 PolarHBondContact O-N 3.17Å; I106-V109 PolarHBondContact O-N 3.27Å; I106-A110 PolarHBondContact O-N 3.27Å; I106-M137 HydrophobicContact CG2-CG 4.15Å; I106-M137 HydrophobicContact CG2-SD 4.4Å; I106-I140 HydrophobicContact CD1-CG2 4.34Å; I106-I140 HydrophobicContact CG1-CB 4.33Å; I106-I140 HydrophobicContact CG1-CD1 4.11Å; I106-I140 HydrophobicContact CG1-CG2 4.1Å
107D98.1Very high97.6Very high33 Ų3349.6 Ų49.618%0.17625%0.249CC..Hα-helixtrans-63.4-43.2177.9-68.9-20.7000112Q55 H59 R103 N104 L105 A110 K111Q55-D107 WeakPolarHBondContact CG-OD1 3.23Å; Q55-D107 PolarHBondContact NE2-OD1 2.83Å; H59-D107 IonicContact CE1-OD2 3.56Å; H59-D107 PolarHBondContact CE1-OD2 2.97Å; H59-D107 IonicContact CG-OD1 2.77Å; H59-D107 IonicContact CG-OD2 3.91Å; H59-D107 IonicContact ND1-OD1 3.83Å; H59-D107 PolarHBondContact ND1-OD1 2.87Å; H59-D107 IonicContact ND1-OD2 3.45Å; H59-D107 PolarHBondContact ND1-OD2 3.34Å; R103-D107 PolarHBondContact O-N 3.39Å; R103-D107 VanDerWaalsContact O-N 3.11Å; N104-D107 PolarHBondContact O-N 3.1Å; L105-D107 VanDerWaalsContact C-N 3.32Å; L105-D107 PolarHBondContact O-N 2.88Å; D107-A110 PolarHBondContact O-N 3.43Å; D107-K111 WeakPolarHBondContact O-CB 3.43Å; D107-K111 PolarHBondContact O-N 3.03Å
108N98.2Very high97.6Very high90 Ų9053.9 Ų53.948%0.48126%0.259SS..Hα-helixtrans-64-46.5176.1-72.8-23.6000112N104 L105 A110 K111 D112N104-N108 VanDerWaalsContact O-CG 3.31Å; N104-N108 PolarHBondContact O-N 2.98Å; N104-N108 PolarHBondContact O-ND2 3.4Å; L105-N108 PolarHBondContact O-N 3.4Å; N108-A110 VanDerWaalsContact C-N 3.3Å; N108-A110 PolarHBondContact O-N 3.29Å; N108-K111 WeakPolarHBondContact O-CB 3.44Å; N108-K111 PolarHBondContact O-N 3Å; N108-K111 VanDerWaalsContact O-N 3.15Å; N108-D112 PolarHBondContact O-N 3.49Å
109V98Very high97.5Very high21 Ų2158.2 Ų58.213%0.12727%0.273CS..Hα-helixtrans-56.7-45.6176168.80000110.8L105 I106 D112 Y113 R136 M137 I140L105-V109 WeakPolarHBondContact O-CB 3.42Å; L105-V109 VanDerWaalsContact O-CG2 3.28Å; L105-V109 WeakPolarHBondContact O-CG2 3.48Å; L105-V109 PolarHBondContact O-N 2.92Å; I106-V109 PolarHBondContact O-N 3.27Å; V109-D112 PolarHBondContact O-N 3.21Å; V109-Y113 HydrophobicContact CG1-CD2 3.69Å; V109-Y113 HydrophobicContact CG1-CE2 3.82Å; V109-Y113 VanDerWaalsContact O-CD2 3.26Å; V109-Y113 WeakPolarHBondContact O-CD2 3.29Å; V109-Y113 PolarHBondContact O-N 3.35Å; V109-R136 HydrophobicContact CG1-CB 3.97Å; V109-M137 HydrophobicContact CG1-CE 4.26Å; V109-M137 HydrophobicContact CG1-CG 4.18Å; V109-I140 HydrophobicContact CG2-CD1 3.93Å
110A98.1Very high97.4Very high0 Ų058.2 Ų58.20%027%0.273CS..Hα-helixtrans-62.6-44.8177.800000112.2V51 Q55 I106 D107 N108 D112 Y113 V114 M137V51-A110 HydrophobicContact CG1-CB 4.28Å; Q55-A110 HydrophobicContact CB-CB 3.51Å; Q55-A110 HydrophobicContact CG-CB 3.47Å; Q55-A110 VanDerWaalsContact CG-CB 3.47Å; I106-A110 PolarHBondContact O-N 3.27Å; D107-A110 PolarHBondContact O-N 3.43Å; N108-A110 VanDerWaalsContact C-N 3.3Å; N108-A110 PolarHBondContact O-N 3.29Å; A110-D112 VanDerWaalsContact C-N 3.33Å; A110-D112 PolarHBondContact O-N 3.14Å; A110-Y113 PolarHBondContact O-N 3.47Å; A110-V114 VanDerWaalsContact O-CB 3.32Å; A110-V114 WeakPolarHBondContact O-CB 3.42Å; A110-V114 WeakPolarHBondContact O-CG2 3.32Å; A110-V114 PolarHBondContact O-N 2.96Å; A110-M137 HydrophobicContact CB-CE 3.44Å; A110-M137 VanDerWaalsContact CB-CE 3.44Å
111K98.1Very high97.2Very high121 Ų12159.9 Ų59.953%0.52628%0.282SS..Hα-helixtrans-59.1-45.4179.9-170.8175.9-178.6178.80111.1D107 N108 R115D107-K111 WeakPolarHBondContact O-CB 3.43Å; D107-K111 PolarHBondContact O-N 3.03Å; N108-K111 WeakPolarHBondContact O-CB 3.44Å; N108-K111 PolarHBondContact O-N 3Å; N108-K111 VanDerWaalsContact O-N 3.15Å; K111-R115 WeakPolarHBondContact O-CB 3.48Å; K111-R115 PolarHBondContact O-N 3.46Å
112D98Very high97Very high69 Ų6957.4 Ų57.437%0.36927%0.273SS..Hα-helixtrans-69.3-44.1-179.6-69.1-23.7000112.4N108 V109 A110 V114 R115 L116N108-D112 PolarHBondContact O-N 3.49Å; V109-D112 PolarHBondContact O-N 3.21Å; A110-D112 VanDerWaalsContact C-N 3.33Å; A110-D112 PolarHBondContact O-N 3.14Å; D112-V114 PolarHBondContact O-N 3.28Å; D112-R115 WeakPolarHBondContact O-CB 3.43Å; D112-R115 PolarHBondContact O-N 3.28Å; D112-R115 IonicContact OD1-CZ 3.74Å; D112-R115 IonicContact OD1-NH1 3.93Å; D112-R115 PolarHBondContact OD1-NH1 2.79Å; D112-L116 WeakPolarHBondContact O-CG 3.5Å; D112-L116 PolarHBondContact O-N 3.16Å
113Y98Very high96.9Very high16 Ų1659.6 Ų59.66%0.06328%0.284CS..Hα-helixtrans-67.4-36.8177.5-87.1-71.4000113.5V109 A110 R115 L116 M117 L129 A132 A133 R136V109-Y113 HydrophobicContact CG1-CD2 3.69Å; V109-Y113 HydrophobicContact CG1-CE2 3.82Å; V109-Y113 VanDerWaalsContact O-CD2 3.26Å; V109-Y113 WeakPolarHBondContact O-CD2 3.29Å; V109-Y113 PolarHBondContact O-N 3.35Å; A110-Y113 PolarHBondContact O-N 3.47Å; Y113-R115 VanDerWaalsContact C-N 3.29Å; Y113-R115 PolarHBondContact O-N 3.04Å; Y113-L116 HydrophobicContact CD1-CD1 4.42Å; Y113-L116 PolarHBondContact O-N 2.77Å; Y113-M117 WeakPolarHBondContact O-CB 3.2Å; Y113-M117 VanDerWaalsContact O-CG 3.27Å; Y113-M117 WeakPolarHBondContact O-CG 3.34Å; Y113-M117 PolarHBondContact O-N 3Å; Y113-L129 HydrophobicContact CD1-CB 4.38Å; Y113-L129 HydrophobicContact CD1-CD2 4.1Å; Y113-L129 HydrophobicContact CE1-CD2 4.07Å; Y113-A132 HydrophobicContact CE1-CB 3.93Å; Y113-A132 WeakPolarHBondContact OH-CB 3.38Å; Y113-A133 HydrophobicContact CD1-CB 3.99Å; Y113-A133 HydrophobicContact CD2-CB 3.43Å; Y113-A133 VanDerWaalsContact CD2-CB 3.43Å; Y113-A133 HydrophobicContact CE1-CB 4.36Å; Y113-A133 HydrophobicContact CE2-CB 3.79Å; Y113-A133 HydrophobicContact CG-CB 3.5Å; Y113-R136 VanDerWaalsContact CZ-CZ 3.47Å; Y113-R136 VanDerWaalsContact CZ-NE 3.28Å; Y113-R136 PolarHBondContact OH-NE 3.4Å; Y113-R136 PolarHBondContact OH-NH2 3.16Å
114V97.8Very high96.8Very high24 Ų2464.7 Ų64.715%0.14531%0.305CS..Hα-helixtrans-64.7-38.2174.2170.50000110.2M48 V51 K52 A110 D112 M117M48-V114 HydrophobicContact CE-CG1 4.39Å; M48-V114 VanDerWaalsContact CE-O 3.22Å; M48-V114 WeakPolarHBondContact CE-O 3.47Å; M48-V114 HydrophobicContact CG-CG1 4.32Å; V51-V114 HydrophobicContact CG1-CG2 4.19Å; K52-V114 HydrophobicContact CD-CG2 4.14Å; K52-V114 HydrophobicContact CG-CG2 3.85Å; A110-V114 VanDerWaalsContact O-CB 3.32Å; A110-V114 WeakPolarHBondContact O-CB 3.42Å; A110-V114 WeakPolarHBondContact O-CG2 3.32Å; A110-V114 PolarHBondContact O-N 2.96Å; D112-V114 PolarHBondContact O-N 3.28Å; V114-M117 PolarHBondContact O-N 3.05Å
115R97.9Very high96.7Very high124 Ų12467.3 Ų67.347%0.46831%0.309SS..Hα-helixtrans-62.1-47.7172.9-167.3-172.2-65.9118.7-4.2111.3K111 D112 Y113 M117 K118K111-R115 WeakPolarHBondContact O-CB 3.48Å; K111-R115 PolarHBondContact O-N 3.46Å; D112-R115 WeakPolarHBondContact O-CB 3.43Å; D112-R115 PolarHBondContact O-N 3.28Å; D112-R115 IonicContact OD1-CZ 3.74Å; D112-R115 IonicContact OD1-NH1 3.93Å; D112-R115 PolarHBondContact OD1-NH1 2.79Å; Y113-R115 VanDerWaalsContact C-N 3.29Å; Y113-R115 PolarHBondContact O-N 3.04Å; R115-M117 PolarHBondContact O-N 3.37Å; R115-K118 WeakPolarHBondContact O-CB 3.17Å; R115-K118 PolarHBondContact O-N 3.43Å
116L96.7Very high96.6Very high90 Ų9064.3 Ų64.347%0.47129%0.294SS..Hα-helixtrans-63.1-37.7178.7-70.8168.3000112.8D112 Y113 K118 Y119 L129D112-L116 WeakPolarHBondContact O-CG 3.5Å; D112-L116 PolarHBondContact O-N 3.16Å; Y113-L116 HydrophobicContact CD1-CD1 4.42Å; Y113-L116 PolarHBondContact O-N 2.77Å; L116-K118 PolarHBondContact O-N 2.95Å; L116-Y119 PolarHBondContact O-N 3.2Å; L116-Y119 VanDerWaalsContact O-N 3.16Å; L116-L129 HydrophobicContact CB-CD2 4.46Å
117M95.8Very high96.6Very high1 Ų169.1 Ų69.11%0.00532%0.315CS..Hα-helixtrans-65.1-19.9178.5-77.2-176.6-158.700113.7M48 V51 Y113 V114 R115 Y119 G120 L129 K130M48-M117 HydrophobicContact CE-CB 3.88Å; M48-M117 HydrophobicContact CG-CB 4.05Å; M48-M117 HydrophobicContact CG-SD 4.16Å; V51-M117 HydrophobicContact CB-CE 4.44Å; V51-M117 HydrophobicContact CG2-CE 3.47Å; V51-M117 VanDerWaalsContact CG2-CE 3.47Å; V51-M117 HydrophobicContact CG2-SD 4.45Å; Y113-M117 WeakPolarHBondContact O-CB 3.2Å; Y113-M117 VanDerWaalsContact O-CG 3.27Å; Y113-M117 WeakPolarHBondContact O-CG 3.34Å; Y113-M117 PolarHBondContact O-N 3Å; V114-M117 PolarHBondContact O-N 3.05Å; R115-M117 PolarHBondContact O-N 3.37Å; M117-Y119 PolarHBondContact O-N 3.22Å; M117-G120 PolarHBondContact O-N 3.13Å; M117-G120 VanDerWaalsContact O-N 3.14Å; M117-L129 HydrophobicContact CE-CB 3.86Å; M117-L129 HydrophobicContact CG-CB 3.97Å; M117-L129 HydrophobicContact CG-CD1 3.89Å; M117-K130 HydrophobicContact CE-CB 3.91Å
118K95.9Very high96.6Very high121 Ų12172 Ų7253%0.52633%0.327SS..THydrogen-bonded Turntrans-60.1-29.2174.2-66.5-176.4176.8-172.80112R44 M48 R115 L116R44-K118 PolarHBondContact NE-O 3.25Å; R44-K118 PolarHBondContact NH1-O 3.37Å; M48-K118 HydrophobicContact CE-CB 4.14Å; M48-K118 HydrophobicContact CE-CG 3.36Å; R115-K118 WeakPolarHBondContact O-CB 3.17Å; R115-K118 PolarHBondContact O-N 3.43Å; L116-K118 PolarHBondContact O-N 2.95Å
119Y95.9Very high96.5Very high173 Ų17369.4 Ų69.468%0.67831%0.313SS*.THydrogen-bonded Turntrans-99.39.2-179.6-52.3-77.9000113.2L116 M117 D121L116-Y119 PolarHBondContact O-N 3.2Å; L116-Y119 VanDerWaalsContact O-N 3.16Å; M117-Y119 PolarHBondContact O-N 3.22Å; Y119-D121 PolarHBondContact O-N 3.37Å
120G93.9Very high96.5Very high0 Ų070.6 Ų70.60%032%0.316CS..  trans-66119.7176.300000111.4I40 R44 M117I40-G120 WeakPolarHBondContact CD1-O 3.43Å; R44-G120 PolarHBondContact NE-O 2.8Å; R44-G120 PolarHBondContact NH2-O 3.48Å; M117-G120 PolarHBondContact O-N 3.13Å; M117-G120 VanDerWaalsContact O-N 3.14Å
121D93.9Very high96.5Very high92 Ų9279.1 Ų79.149%0.49235%0.348SS..  trans-82.8-28.1-178.246.124.4000113.4I40 Y119 R125I40-D121 WeakPolarHBondContact CD1-O 3.36Å; Y119-D121 PolarHBondContact O-N 3.37Å; D121-R125 WeakPolarHBondContact OD1-CB 3.37Å; D121-R125 WeakPolarHBondContact OD1-CD 3.48Å; D121-R125 IonicContact OD2-CZ 3.83Å; D121-R125 IonicContact OD2-NH1 2.77Å; D121-R125 PolarHBondContact OD2-NH1 3.44Å
122S94.2Very high96.5Very high45 Ų4575.2 Ų75.232%0.31534%0.339SS..SBendtrans-139.3158.3-168.663.10000112.3Y124 R125 C126S122-Y124 PolarHBondContact O-N 2.86Å; S122-R125 PolarHBondContact O-N 2.94Å; S122-R125 WeakPolarHBondContact OG-CB 3.2Å; S122-R125 PolarHBondContact OG-N 3.11Å; S122-C126 PolarHBondContact O-N 3.06Å; S122-C126 VanDerWaalsContact O-N 3.08Å; S122-C126 PolarHBondContact O-SG 3.39Å
123M95Very high96.5Very high46 Ų4672 Ų7223%0.22732%0.322CS..Hα-helixtrans-57.1-39.8172.7-177.3179.7170.700111.9I34 K36 I43 Y47 K127I34-M123 HydrophobicContact CG2-CE 3.85Å; I34-M123 WeakPolarHBondContact O-CE 3.42Å; K36-M123 HydrophobicContact CB-SD 4.09Å; I43-M123 HydrophobicContact CD1-CB 4.32Å; I43-M123 HydrophobicContact CG2-CB 4.25Å; I43-M123 HydrophobicContact CG2-CG 4.48Å; Y47-M123 HydrophobicContact CE2-CG 4.34Å; M123-K127 VanDerWaalsContact O-CB 3.28Å; M123-K127 WeakPolarHBondContact O-CB 3.43Å; M123-K127 PolarHBondContact O-N 3.22Å
124Y96.2Very high96.5Very high161 Ų16172.4 Ų72.463%0.63133%0.325SS*.Hα-helixtrans-63.7-50.4-179.4-178.7-103000111.7S122 C126 K127 Q128S122-Y124 PolarHBondContact O-N 2.86Å; Y124-C126 PolarHBondContact O-N 2.85Å; Y124-K127 WeakPolarHBondContact O-CB 3.34Å; Y124-K127 PolarHBondContact O-N 3.44Å; Y124-K127 VanDerWaalsContact O-N 3.15Å; Y124-Q128 HydrophobicContact CD1-CG 4.44Å; Y124-Q128 HydrophobicContact CE1-CG 4.11Å; Y124-Q128 HydrophobicContact CE2-CG 4.49Å; Y124-Q128 WeakPolarHBondContact O-CG 3.44Å; Y124-Q128 PolarHBondContact O-N 3.3Å; Y124-Q128 PolarHBondContact OH-NE2 3.27Å
125R95.3Very high96.5Very high123 Ų12373 Ų7346%0.46434%0.335SS..Hα-helixtrans-60.5-43.7178.2-167.5172.8-174.4170.41.8111.7D121 S122 K127 Q128 L129D121-R125 WeakPolarHBondContact OD1-CB 3.37Å; D121-R125 WeakPolarHBondContact OD1-CD 3.48Å; D121-R125 IonicContact OD2-CZ 3.83Å; D121-R125 IonicContact OD2-NH1 2.77Å; D121-R125 PolarHBondContact OD2-NH1 3.44Å; S122-R125 PolarHBondContact O-N 2.94Å; S122-R125 WeakPolarHBondContact OG-CB 3.2Å; S122-R125 PolarHBondContact OG-N 3.11Å; R125-K127 PolarHBondContact O-N 3Å; R125-Q128 PolarHBondContact O-N 3.1Å; R125-L129 WeakPolarHBondContact O-CG 3.44Å; R125-L129 PolarHBondContact O-N 3.23Å
126C96.4Very high96.4Very high0 Ų072.8 Ų72.80%034%0.335CS..Hα-helixtrans-64.8-38.7176-61.50000112.5I43 Y47 S122 Y124 L129 K130I43-C126 HydrophobicContact CG2-CB 4.31Å; Y47-C126 HydrophobicContact CD2-CB 3.32Å; Y47-C126 HydrophobicContact CE2-CB 3.79Å; Y47-C126 HydrophobicContact CG-CB 4.15Å; S122-C126 PolarHBondContact O-N 3.06Å; S122-C126 VanDerWaalsContact O-N 3.08Å; S122-C126 PolarHBondContact O-SG 3.39Å; Y124-C126 PolarHBondContact O-N 2.85Å; C126-L129 PolarHBondContact O-N 3.2Å; C126-K130 WeakPolarHBondContact O-CB 3.34Å; C126-K130 PolarHBondContact O-N 2.98Å
127K97.3Very high96.5Very high102 Ų10268.5 Ų68.544%0.44331%0.312SS..Hα-helixtrans-63.4-42.1175.8-176.7179.1177.9-178.90111.6Y47 M123 Y124 R125 K130 R131Y47-K127 HydrophobicContact CE1-CB 4.37Å; Y47-K127 HydrophobicContact CE2-CB 4.46Å; M123-K127 VanDerWaalsContact O-CB 3.28Å; M123-K127 WeakPolarHBondContact O-CB 3.43Å; M123-K127 PolarHBondContact O-N 3.22Å; Y124-K127 WeakPolarHBondContact O-CB 3.34Å; Y124-K127 PolarHBondContact O-N 3.44Å; Y124-K127 VanDerWaalsContact O-N 3.15Å; R125-K127 PolarHBondContact O-N 3Å; K127-K130 PolarHBondContact O-N 2.84Å; K127-R131 WeakPolarHBondContact O-CG 3.42Å; K127-R131 PolarHBondContact O-N 3.04Å
128Q97.1Very high96.6Very high94 Ų9469.1 Ų69.144%0.43932%0.316SS..Hα-helixtrans-64.1-48.1176-72.8-175.9-39.600111.8Y124 R125 K130 R131 A132Y124-Q128 HydrophobicContact CD1-CG 4.44Å; Y124-Q128 HydrophobicContact CE1-CG 4.11Å; Y124-Q128 HydrophobicContact CE2-CG 4.49Å; Y124-Q128 WeakPolarHBondContact O-CG 3.44Å; Y124-Q128 PolarHBondContact O-N 3.3Å; Y124-Q128 PolarHBondContact OH-NE2 3.27Å; R125-Q128 PolarHBondContact O-N 3.1Å; Q128-K130 VanDerWaalsContact C-N 3.26Å; Q128-K130 PolarHBondContact O-N 2.9Å; Q128-R131 PolarHBondContact O-N 3.41Å; Q128-R131 VanDerWaalsContact O-N 3.13Å; Q128-A132 WeakPolarHBondContact O-CB 3.26Å; Q128-A132 PolarHBondContact O-N 3.01Å
129L97.6Very high96.7Very high35 Ų3567.9 Ų67.918%0.18332%0.319CS..Hα-helixtrans-57.2-41.5176-72.3173000111.5Y113 L116 M117 R125 C126 A132 A133Y113-L129 HydrophobicContact CD1-CB 4.38Å; Y113-L129 HydrophobicContact CD1-CD2 4.1Å; Y113-L129 HydrophobicContact CE1-CD2 4.07Å; L116-L129 HydrophobicContact CB-CD2 4.46Å; M117-L129 HydrophobicContact CE-CB 3.86Å; M117-L129 HydrophobicContact CG-CB 3.97Å; M117-L129 HydrophobicContact CG-CD1 3.89Å; R125-L129 WeakPolarHBondContact O-CG 3.44Å; R125-L129 PolarHBondContact O-N 3.23Å; C126-L129 PolarHBondContact O-N 3.2Å; L129-A132 PolarHBondContact O-N 3.47Å; L129-A133 WeakPolarHBondContact O-CB 3.25Å; L129-A133 PolarHBondContact O-N 3.36Å
130K97.6Very high96.7Very high45 Ų4560.6 Ų60.620%0.19629%0.292CS..Hα-helixtrans-64.6-43.5176.4-179.5-98.3-60.2-165.90112.4Y47 K50 V51 M117 C126 K127 Q128 A133 L134Y47-K130 HydrophobicContact CD1-CB 3.91Å; Y47-K130 HydrophobicContact CD1-CD 4.29Å; Y47-K130 VanDerWaalsContact CD1-CE 3.47Å; Y47-K130 HydrophobicContact CD1-CG 3.94Å; Y47-K130 VanDerWaalsContact CE1-CE 3.46Å; Y47-K130 HydrophobicContact CG-CB 4.33Å; K50-K130 HydrophobicContact CB-CG 4.29Å; V51-K130 HydrophobicContact CG2-CB 4.4Å; V51-K130 HydrophobicContact CG2-CG 4.08Å; M117-K130 HydrophobicContact CE-CB 3.91Å; C126-K130 WeakPolarHBondContact O-CB 3.34Å; C126-K130 PolarHBondContact O-N 2.98Å; K127-K130 PolarHBondContact O-N 2.84Å; Q128-K130 VanDerWaalsContact C-N 3.26Å; Q128-K130 PolarHBondContact O-N 2.9Å; K130-A133 PolarHBondContact O-N 3.39Å; K130-L134 HydrophobicContact CD-CD1 3.87Å; K130-L134 HydrophobicContact CG-CD1 4.4Å; K130-L134 WeakPolarHBondContact O-CG 3.09Å; K130-L134 PolarHBondContact O-N 3.27Å; K130-L134 VanDerWaalsContact O-N 3.1Å
131R97.6Very high96.8Very high179 Ų17960.6 Ų60.668%0.67529%0.292SS*.Hα-helixtrans-62.4-44.1176.1-74.5179.672.3-172.33.8111.4K127 Q128 G135K127-R131 WeakPolarHBondContact O-CG 3.42Å; K127-R131 PolarHBondContact O-N 3.04Å; Q128-R131 PolarHBondContact O-N 3.41Å; Q128-R131 VanDerWaalsContact O-N 3.13Å; R131-G135 PolarHBondContact O-N 3.38Å
132A97.9Very high96.9Very high40 Ų4062.8 Ų62.833%0.33130%0.297SS..Hα-helixtrans-66.2-38.9179.500000111.9Y113 Q128 L129 G135 R136Y113-A132 HydrophobicContact CE1-CB 3.93Å; Y113-A132 WeakPolarHBondContact OH-CB 3.38Å; Q128-A132 WeakPolarHBondContact O-CB 3.26Å; Q128-A132 PolarHBondContact O-N 3.01Å; L129-A132 PolarHBondContact O-N 3.47Å; A132-G135 PolarHBondContact O-N 3.02Å; A132-R136 WeakPolarHBondContact O-CG 3.31Å; A132-R136 PolarHBondContact O-N 3.46Å
133A97.9Very high97Very high0 Ų068.5 Ų68.50%031%0.312CS..Hα-helixtrans-60.3-54.5174.400000112.7V51 Y113 L129 K130 G135 R136 M137V51-A133 HydrophobicContact CG1-CB 4Å; V51-A133 HydrophobicContact CG2-CB 3.71Å; Y113-A133 HydrophobicContact CD1-CB 3.99Å; Y113-A133 HydrophobicContact CD2-CB 3.43Å; Y113-A133 VanDerWaalsContact CD2-CB 3.43Å; Y113-A133 HydrophobicContact CE1-CB 4.36Å; Y113-A133 HydrophobicContact CE2-CB 3.79Å; Y113-A133 HydrophobicContact CG-CB 3.5Å; L129-A133 WeakPolarHBondContact O-CB 3.25Å; L129-A133 PolarHBondContact O-N 3.36Å; K130-A133 PolarHBondContact O-N 3.39Å; A133-G135 VanDerWaalsContact C-N 3.31Å; A133-G135 PolarHBondContact O-N 3.13Å; A133-R136 PolarHBondContact O-N 3.18Å; A133-M137 WeakPolarHBondContact O-CG 3.46Å; A133-M137 PolarHBondContact O-N 3.32Å
134L98Very high97.1Very high26 Ų2666.7 Ų66.714%0.13630%0.303CS..Hα-helixtrans-63.5-39.4179.1-62.2-178.7000111.4L23 T54 K130 M137 C138L23-L134 HydrophobicContact CD2-CD1 4.4Å; T54-L134 VanDerWaalsContact CB-CD2 3.47Å; T54-L134 HydrophobicContact CG2-CD2 3.52Å; T54-L134 VanDerWaalsContact OG1-CD2 3.23Å; T54-L134 WeakPolarHBondContact OG1-CD2 3.47Å; K130-L134 HydrophobicContact CD-CD1 3.87Å; K130-L134 HydrophobicContact CG-CD1 4.4Å; K130-L134 WeakPolarHBondContact O-CG 3.09Å; K130-L134 PolarHBondContact O-N 3.27Å; K130-L134 VanDerWaalsContact O-N 3.1Å; L134-M137 HydrophobicContact CD2-SD 4.37Å; L134-M137 PolarHBondContact O-N 3.42Å; L134-C138 PolarHBondContact O-N 3.05Å; L134-C138 PolarHBondContact O-SG 3.45Å
135G97.6Very high97.1Very high35 Ų3565.3 Ų65.336%0.36130%0.3SS..Hα-helixtrans-58.3-50174.700000112.4R131 A132 A133 M137 C138 T139R131-G135 PolarHBondContact O-N 3.38Å; A132-G135 PolarHBondContact O-N 3.02Å; A133-G135 VanDerWaalsContact C-N 3.31Å; A133-G135 PolarHBondContact O-N 3.13Å; G135-M137 VanDerWaalsContact C-N 3.35Å; G135-M137 PolarHBondContact O-N 3.45Å; G135-C138 PolarHBondContact O-N 3.31Å; G135-T139 PolarHBondContact O-N 2.69Å; G135-T139 PolarHBondContact O-OG1 3.34Å
136R97.4Very high97.1Very high120 Ų12063.3 Ų63.345%0.45331%0.305SS..Hα-helixtrans-61-41.1177.7-75.5-155.4-83.1-172.86.2112.3V109 Y113 A132 A133 T139 I140V109-R136 HydrophobicContact CG1-CB 3.97Å; Y113-R136 VanDerWaalsContact CZ-CZ 3.47Å; Y113-R136 VanDerWaalsContact CZ-NE 3.28Å; Y113-R136 PolarHBondContact OH-NE 3.4Å; Y113-R136 PolarHBondContact OH-NH2 3.16Å; A132-R136 WeakPolarHBondContact O-CG 3.31Å; A132-R136 PolarHBondContact O-N 3.46Å; A133-R136 PolarHBondContact O-N 3.18Å; R136-T139 PolarHBondContact O-N 3.32Å; R136-I140 WeakPolarHBondContact O-CG1 3.49Å; R136-I140 PolarHBondContact O-N 3.29Å
137M97.9Very high97.1Very high0 Ų063.5 Ų63.50%031%0.306CS..Hα-helixtrans-61.6-46.4175.1-66.5172.9-177.900111.9V51 T54 Q55 Y58 I106 V109 A110 A133 L134 G135 T139 I140 L141V51-M137 HydrophobicContact CG1-CE 3.85Å; T54-M137 HydrophobicContact CG2-SD 4.24Å; Q55-M137 HydrophobicContact CB-CE 4.01Å; Y58-M137 HydrophobicContact CD2-CB 4.32Å; Y58-M137 HydrophobicContact CE2-CB 4.01Å; I106-M137 HydrophobicContact CG2-CG 4.15Å; I106-M137 HydrophobicContact CG2-SD 4.4Å; V109-M137 HydrophobicContact CG1-CE 4.26Å; V109-M137 HydrophobicContact CG1-CG 4.18Å; A110-M137 HydrophobicContact CB-CE 3.44Å; A110-M137 VanDerWaalsContact CB-CE 3.44Å; A133-M137 WeakPolarHBondContact O-CG 3.46Å; A133-M137 PolarHBondContact O-N 3.32Å; L134-M137 HydrophobicContact CD2-SD 4.37Å; L134-M137 PolarHBondContact O-N 3.42Å; G135-M137 VanDerWaalsContact C-N 3.35Å; G135-M137 PolarHBondContact O-N 3.45Å; M137-T139 VanDerWaalsContact C-N 3.34Å; M137-T139 PolarHBondContact O-N 3.5Å; M137-I140 PolarHBondContact O-N 3.47Å; M137-L141 PolarHBondContact O-N 3.11Å; M137-L141 VanDerWaalsContact O-N 3.15Å
138C97.4Very high97.1Very high14 Ų1458.7 Ų58.710%0.09529%0.285CS..Hα-helixtrans-64.6-38177.2-65.30000112.1I19 L134 G135 L141 K142I19-C138 HydrophobicContact CD1-CB 4.13Å; I19-C138 HydrophobicContact CG1-CB 4.31Å; I19-C138 HydrophobicContact CG2-CB 4.35Å; L134-C138 PolarHBondContact O-N 3.05Å; L134-C138 PolarHBondContact O-SG 3.45Å; G135-C138 PolarHBondContact O-N 3.31Å; C138-L141 PolarHBondContact O-N 2.84Å; C138-K142 WeakPolarHBondContact O-CG 3.32Å; C138-K142 PolarHBondContact O-N 2.86Å
139T97.8Very high97.1Very high95 Ų9558.8 Ų58.858%0.58329%0.286SS*.Hα-helixtrans-64.9-39.8176.5-59.20000112G135 R136 M137 K142 R143G135-T139 PolarHBondContact O-N 2.69Å; G135-T139 PolarHBondContact O-OG1 3.34Å; R136-T139 PolarHBondContact O-N 3.32Å; M137-T139 VanDerWaalsContact C-N 3.34Å; M137-T139 PolarHBondContact O-N 3.5Å; T139-K142 PolarHBondContact O-N 3.25Å; T139-R143 PolarHBondContact O-N 3.11Å
140I97Very high97Very high20 Ų2058.7 Ų58.710%0.10328%0.283CS..Hα-helixtrans-55.6-56.3172.6-68.9161.2000108.2A102 L105 I106 V109 R136 M137 K142 R143 Q144A102-I140 HydrophobicContact CB-CG2 3.98Å; L105-I140 HydrophobicContact CB-CD1 3.88Å; L105-I140 HydrophobicContact CB-CG2 4.46Å; I106-I140 HydrophobicContact CD1-CG2 4.34Å; I106-I140 HydrophobicContact CG1-CB 4.33Å; I106-I140 HydrophobicContact CG1-CD1 4.11Å; I106-I140 HydrophobicContact CG1-CG2 4.1Å; V109-I140 HydrophobicContact CG2-CD1 3.93Å; R136-I140 WeakPolarHBondContact O-CG1 3.49Å; R136-I140 PolarHBondContact O-N 3.29Å; M137-I140 PolarHBondContact O-N 3.47Å; I140-K142 VanDerWaalsContact C-N 3.35Å; I140-K142 PolarHBondContact O-N 3.31Å; I140-R143 WeakPolarHBondContact O-CB 3.41Å; I140-R143 PolarHBondContact O-N 3.04Å; I140-Q144 VanDerWaalsContact C-OE1 3.22Å; I140-Q144 PolarHBondContact O-NE2 3.09Å; I140-Q144 PolarHBondContact O-OE1 2.74Å
141L95.6Very high97Very high0 Ų056.6 Ų56.60%027%0.274CS..Hα-helixtrans-61-38.9-176.4-163.869.8000113.6F18 I19 Y58 L62 M137 C138 R143 Q144 L148F18-L141 HydrophobicContact CB-CD2 3.82Å; F18-L141 HydrophobicContact CD1-CD1 3.79Å; F18-L141 HydrophobicContact CD1-CD2 3.59Å; F18-L141 HydrophobicContact CD1-CG 4.21Å; F18-L141 HydrophobicContact CD2-CD2 4.4Å; F18-L141 HydrophobicContact CE1-CD1 3.82Å; F18-L141 HydrophobicContact CE1-CD2 4.17Å; F18-L141 HydrophobicContact CG-CD2 3.68Å; I19-L141 HydrophobicContact CD1-CD2 4.39Å; I19-L141 HydrophobicContact CG1-CB 4.41Å; I19-L141 HydrophobicContact CG1-CD2 3.61Å; I19-L141 HydrophobicContact CG1-CG 4.48Å; Y58-L141 HydrophobicContact CD1-CD2 4.17Å; Y58-L141 HydrophobicContact CE1-CD2 3.45Å; Y58-L141 VanDerWaalsContact CE1-CD2 3.45Å; L62-L141 HydrophobicContact CD2-CD1 4.33Å; M137-L141 PolarHBondContact O-N 3.11Å; M137-L141 VanDerWaalsContact O-N 3.15Å; C138-L141 PolarHBondContact O-N 2.84Å; L141-R143 PolarHBondContact O-N 3.01Å; L141-Q144 PolarHBondContact O-N 3.07Å; L141-Q144 VanDerWaalsContact O-N 3.1Å; L141-L148 HydrophobicContact CD1-CD1 4.25Å
142K95.8Very high96.9Very high138 Ų13849.2 Ų49.260%0.625%0.247SC*.Hα-helixtrans-59.1-31.7174.8-76.3-177.2-179.6-174.50112.6I19 C138 T139 I140 Q144 K145I19-K142 HydrophobicContact CD1-CD 4.27Å; I19-K142 HydrophobicContact CD1-CG 3.51Å; C138-K142 WeakPolarHBondContact O-CG 3.32Å; C138-K142 PolarHBondContact O-N 2.86Å; T139-K142 PolarHBondContact O-N 3.25Å; I140-K142 VanDerWaalsContact C-N 3.35Å; I140-K142 PolarHBondContact O-N 3.31Å; K142-Q144 VanDerWaalsContact C-N 3.28Å; K142-Q144 PolarHBondContact O-N 3Å; K142-K145 PolarHBondContact O-N 3.24Å
143R96.8Very high96.7Very high165 Ų16552.9 Ų52.962%0.62326%0.257SS*.Hα-helixtrans-69.1-25.3178.6-168.7176.763.5-175.62.2112.4T139 I140 L141 K145T139-R143 PolarHBondContact O-N 3.11Å; I140-R143 WeakPolarHBondContact O-CB 3.41Å; I140-R143 PolarHBondContact O-N 3.04Å; L141-R143 PolarHBondContact O-N 3.01Å; R143-K145 VanDerWaalsContact C-N 3.32Å; R143-K145 PolarHBondContact O-N 2.73Å
144Q96.3Very high96.6Very high8 Ų853.1 Ų53.14%0.03726%0.259CS..THydrogen-bonded Turntrans-92.827.7176.5-65.382.247.800113.4I99 A102 I140 L141 K142 S146 S147 L148I99-Q144 HydrophobicContact CD1-CB 4.23Å; I99-Q144 HydrophobicContact CD1-CG 4.5Å; A102-Q144 HydrophobicContact CB-CG 4.13Å; A102-Q144 VanDerWaalsContact CB-OE1 3.31Å; I140-Q144 VanDerWaalsContact C-OE1 3.22Å; I140-Q144 PolarHBondContact O-NE2 3.09Å; I140-Q144 PolarHBondContact O-OE1 2.74Å; L141-Q144 PolarHBondContact O-N 3.07Å; L141-Q144 VanDerWaalsContact O-N 3.1Å; K142-Q144 VanDerWaalsContact C-N 3.28Å; K142-Q144 PolarHBondContact O-N 3Å; Q144-S146 PolarHBondContact O-N 2.96Å; Q144-S147 PolarHBondContact O-N 3.05Å; Q144-L148 WeakPolarHBondContact O-CG 3.03Å; Q144-L148 PolarHBondContact O-N 2.87Å
145K96.6Very high96.5Very high133 Ų13353.5 Ų53.558%0.57826%0.259SS*.Hα-helixtrans-56.4-52-179.2-177.4-169.7170.9-165.30112.4A15 K142 R143 S147 L148 E149A15-K145 HydrophobicContact CB-CB 4.29Å; A15-K145 HydrophobicContact CB-CG 4.5Å; K142-K145 PolarHBondContact O-N 3.24Å; R143-K145 VanDerWaalsContact C-N 3.32Å; R143-K145 PolarHBondContact O-N 2.73Å; K145-S147 PolarHBondContact O-N 3.09Å; K145-L148 PolarHBondContact O-N 2.93Å; K145-E149 PolarHBondContact O-N 3.36Å; K145-E149 VanDerWaalsContact O-N 3.14Å
146S96Very high96.3Very high80 Ų8056.3 Ų56.356%0.55926%0.262SS*.Hα-helixtrans-60.7-44.3-176.947.30000112.2Q144 L148 E149 Y150Q144-S146 PolarHBondContact O-N 2.96Å; S146-L148 PolarHBondContact O-N 3.05Å; S146-E149 PolarHBondContact O-N 2.8Å; S146-Y150 WeakPolarHBondContact O-CB 3.48Å; S146-Y150 PolarHBondContact O-N 2.8Å
147S96.6Very high96Very high5 Ų554.4 Ų54.44%0.03526%0.258CS..Hα-helixtrans-67.9-36.3-177.9-52.80000112.9Q98 Q144 K145 L151Q98-S147 PolarHBondContact OE1-OG 2.91Å; Q144-S147 PolarHBondContact O-N 3.05Å; K145-S147 PolarHBondContact O-N 3.09Å; S147-L151 WeakPolarHBondContact O-CB 3.25Å; S147-L151 WeakPolarHBondContact O-CG 3.18Å; S147-L151 PolarHBondContact O-N 3.23Å
148L96.6Very high95.7Very high1 Ų154.4 Ų54.41%0.00526%0.258CS..Hα-helixtrans-68.6-39.1174.3-71.6172.3000112V12 A15 F18 I65 I99 L141 Q144 K145 S146 E152V12-L148 HydrophobicContact CG1-CB 4.31Å; V12-L148 HydrophobicContact CG1-CD2 3.62Å; A15-L148 HydrophobicContact CB-CD1 4.01Å; F18-L148 HydrophobicContact CD1-CD1 4.4Å; I65-L148 HydrophobicContact CD1-CD2 4.29Å; I99-L148 HydrophobicContact CD1-CD2 3.69Å; I99-L148 HydrophobicContact CD1-CG 4.05Å; L141-L148 HydrophobicContact CD1-CD1 4.25Å; Q144-L148 WeakPolarHBondContact O-CG 3.03Å; Q144-L148 PolarHBondContact O-N 2.87Å; K145-L148 PolarHBondContact O-N 2.93Å; S146-L148 PolarHBondContact O-N 3.05Å; L148-E152 PolarHBondContact O-N 3.24Å
149E96.6Very high95.4Very high95 Ų9555.3 Ų55.344%0.44427%0.265SS..Hα-helixtrans-66.1-46.1177-175.5168.8-172.600111.5K145 S146 E152 Q153K145-E149 PolarHBondContact O-N 3.36Å; K145-E149 VanDerWaalsContact O-N 3.14Å; S146-E149 PolarHBondContact O-N 2.8Å; E149-E152 PolarHBondContact O-N 3.03Å; E149-Q153 WeakPolarHBondContact O-CG 3.38Å; E149-Q153 PolarHBondContact O-N 2.87Å; E149-Q153 VanDerWaalsContact O-N 3.09Å
150Y96.9Very high94.9Very high34 Ų3460.5 Ų60.513%0.13327%0.274CS..Hα-helixtrans-59.8-48.1173.9166.8-99.3000111.9Y87 H91 Y92 A95 S146 E152 Q153 V154Y87-Y150 PolarHBondContact O-OH 3.45Å; H91-Y150 AromaticContact CD2-CD1 3.81Å; H91-Y150 AromaticContact CD2-CD2 3.67Å; H91-Y150 AromaticContact CD2-CE1 3.7Å; H91-Y150 AromaticContact CD2-CE2 3.52Å; H91-Y150 AromaticContact CD2-CG 3.8Å; H91-Y150 AromaticContact CD2-CZ 3.54Å; H91-Y150 AromaticContact NE2-CG 3.94Å; Y92-Y150 HydrophobicContact CD2-CE1 4.44Å; A95-Y150 HydrophobicContact CB-CD1 3.81Å; A95-Y150 HydrophobicContact CB-CE1 4.04Å; S146-Y150 WeakPolarHBondContact O-CB 3.48Å; S146-Y150 PolarHBondContact O-N 2.8Å; Y150-E152 VanDerWaalsContact C-N 3.28Å; Y150-E152 PolarHBondContact O-N 3.17Å; Y150-Q153 WeakPolarHBondContact O-CB 3.32Å; Y150-Q153 PolarHBondContact O-N 3.01Å; Y150-Q153 VanDerWaalsContact O-N 3.15Å; Y150-V154 HydrophobicContact CD1-CG2 4.29Å; Y150-V154 HydrophobicContact CD2-CG2 4.08Å; Y150-V154 HydrophobicContact CE1-CG2 3.79Å; Y150-V154 HydrophobicContact CE2-CG2 3.59Å; Y150-V154 HydrophobicContact CG-CG2 4.42Å; Y150-V154 VanDerWaalsContact CZ-CG2 3.43Å; Y150-V154 WeakPolarHBondContact O-CG2 3.29Å; Y150-V154 PolarHBondContact O-N 3.26Å
151L96.3Very high94.5Very high0 Ų060.6 Ų60.60%027%0.274CS..Hα-helixtrans-62.2-35179.4-74.3173.7000112.4V12 I65 F69 Y92 A95 L96 I99 S147 V154 R155V12-L151 HydrophobicContact CG1-CB 4.47Å; V12-L151 HydrophobicContact CG2-CB 4.49Å; I65-L151 HydrophobicContact CG2-CD1 4.29Å; F69-L151 HydrophobicContact CE1-CD2 4.22Å; F69-L151 HydrophobicContact CE2-CB 4.27Å; F69-L151 HydrophobicContact CE2-CD2 4.33Å; F69-L151 HydrophobicContact CZ-CB 3.98Å; F69-L151 HydrophobicContact CZ-CD2 4.09Å; F69-L151 WeakPolarHBondContact CZ-O 3.38Å; Y92-L151 HydrophobicContact CE2-CD2 4.46Å; A95-L151 HydrophobicContact CB-CD1 4.48Å; A95-L151 HydrophobicContact CB-CD2 4.26Å; A95-L151 HydrophobicContact CB-CG 4.19Å; L96-L151 HydrophobicContact CD2-CD1 4.01Å; L96-L151 HydrophobicContact CD2-CD2 3.95Å; L96-L151 HydrophobicContact CG-CD2 4.23Å; I99-L151 HydrophobicContact CG1-CD1 3.88Å; S147-L151 WeakPolarHBondContact O-CB 3.25Å; S147-L151 WeakPolarHBondContact O-CG 3.18Å; S147-L151 PolarHBondContact O-N 3.23Å; L151-V154 PolarHBondContact O-N 3.25Å; L151-R155 WeakPolarHBondContact O-CB 3.48Å; L151-R155 PolarHBondContact O-N 2.89Å
152E95.5Very high94.1Very high25 Ų2562.4 Ų62.412%0.11729%0.286CS..Hα-helixtrans-67.3-41.2174.8-179.151.7-156.400112V12 L148 E149 Y150 R155 Q156V12-E152 HydrophobicContact CB-CB 4.08Å; V12-E152 PolarHBondContact N-OE2 3.23Å; L148-E152 PolarHBondContact O-N 3.24Å; E149-E152 PolarHBondContact O-N 3.03Å; Y150-E152 VanDerWaalsContact C-N 3.28Å; Y150-E152 PolarHBondContact O-N 3.17Å; E152-R155 WeakPolarHBondContact O-CB 3.26Å; E152-R155 PolarHBondContact O-N 3.45Å; E152-R155 IonicContact OE1-CZ 3.83Å; E152-R155 IonicContact OE1-NE 3.42Å; E152-R155 PolarHBondContact OE1-NE 3.39Å; E152-R155 IonicContact OE1-NH2 2.7Å; E152-R155 PolarHBondContact OE1-NH2 3.08Å; E152-R155 IonicContact OE2-CZ 2.71Å; E152-R155 IonicContact OE2-NE 2.68Å; E152-R155 PolarHBondContact OE2-NE 2.8Å; E152-R155 IonicContact OE2-NH2 2.73Å; E152-Q156 WeakPolarHBondContact O-CG 3.38Å; E152-Q156 PolarHBondContact O-N 2.92Å; E152-Q156 WeakPolarHBondContact OE1-CG 3.43Å; E152-Q156 PolarHBondContact OE1-NE2 3.1Å
153Q95.1Very high93.8Very high116 Ų11658.9 Ų58.954%0.54228%0.279SS..Hα-helixtrans-61.2-46.5174.1-68.7175.59.200111.4E149 Y150 R155 Q156 H157E149-Q153 WeakPolarHBondContact O-CG 3.38Å; E149-Q153 PolarHBondContact O-N 2.87Å; E149-Q153 VanDerWaalsContact O-N 3.09Å; Y150-Q153 WeakPolarHBondContact O-CB 3.32Å; Y150-Q153 PolarHBondContact O-N 3.01Å; Y150-Q153 VanDerWaalsContact O-N 3.15Å; Q153-R155 VanDerWaalsContact C-N 3.33Å; Q153-R155 PolarHBondContact O-N 3.01Å; Q153-Q156 PolarHBondContact O-N 3.04Å; Q153-H157 PolarHBondContact O-N 3.5Å
154V95Very high93.5Very high5 Ų551.2 Ų51.23%0.0325%0.25CS..Hα-helixtrans-59.5-44.9175.9174.20000110.6F69 Y87 Y92 Y150 L151 Q156 H157 L158F69-V154 HydrophobicContact CE1-CG1 4.38Å; Y87-V154 HydrophobicContact CD1-CB 4.35Å; Y87-V154 HydrophobicContact CD1-CG1 3.98Å; Y87-V154 HydrophobicContact CD1-CG2 3.86Å; Y87-V154 HydrophobicContact CD2-CG1 4.18Å; Y87-V154 HydrophobicContact CE1-CB 4.47Å; Y87-V154 HydrophobicContact CE1-CG1 4.04Å; Y87-V154 HydrophobicContact CE1-CG2 4.41Å; Y87-V154 HydrophobicContact CE2-CG1 4.26Å; Y87-V154 HydrophobicContact CG-CG1 4.04Å; Y87-V154 HydrophobicContact CG-CG2 4.28Å; Y92-V154 HydrophobicContact CD2-CG1 4.23Å; Y92-V154 HydrophobicContact CE2-CG1 3.95Å; Y150-V154 HydrophobicContact CD1-CG2 4.29Å; Y150-V154 HydrophobicContact CD2-CG2 4.08Å; Y150-V154 HydrophobicContact CE1-CG2 3.79Å; Y150-V154 HydrophobicContact CE2-CG2 3.59Å; Y150-V154 HydrophobicContact CG-CG2 4.42Å; Y150-V154 VanDerWaalsContact CZ-CG2 3.43Å; Y150-V154 WeakPolarHBondContact O-CG2 3.29Å; Y150-V154 PolarHBondContact O-N 3.26Å; L151-V154 PolarHBondContact O-N 3.25Å; V154-Q156 PolarHBondContact O-N 3.39Å; V154-H157 PolarHBondContact O-N 3.2Å; V154-L158 WeakPolarHBondContact O-CB 3.45Å; V154-L158 PolarHBondContact O-N 3.3Å
155R95.2Very high93.3Very high35 Ų3553.1 Ų53.113%0.13226%0.26CS..Hα-helixtrans-58.7-46.9177.8-172.9-157.968.977.42.9112.1I9 M10 F69 L151 E152 Q153 H157 L158 S159I9-R155 HydrophobicContact CB-CG 3.92Å; I9-R155 HydrophobicContact CG2-CG 3.69Å; M10-R155 WeakPolarHBondContact O-CD 3.47Å; F69-R155 HydrophobicContact CE1-CB 4.29Å; F69-R155 HydrophobicContact CZ-CB 3.96Å; L151-R155 WeakPolarHBondContact O-CB 3.48Å; L151-R155 PolarHBondContact O-N 2.89Å; E152-R155 WeakPolarHBondContact O-CB 3.26Å; E152-R155 PolarHBondContact O-N 3.45Å; E152-R155 IonicContact OE1-CZ 3.83Å; E152-R155 IonicContact OE1-NE 3.42Å; E152-R155 PolarHBondContact OE1-NE 3.39Å; E152-R155 IonicContact OE1-NH2 2.7Å; E152-R155 PolarHBondContact OE1-NH2 3.08Å; E152-R155 IonicContact OE2-CZ 2.71Å; E152-R155 IonicContact OE2-NE 2.68Å; E152-R155 PolarHBondContact OE2-NE 2.8Å; E152-R155 IonicContact OE2-NH2 2.73Å; Q153-R155 VanDerWaalsContact C-N 3.33Å; Q153-R155 PolarHBondContact O-N 3.01Å; R155-H157 VanDerWaalsContact C-N 3.34Å; R155-H157 PolarHBondContact O-N 3.37Å; R155-L158 PolarHBondContact O-N 3.27Å; R155-S159 WeakPolarHBondContact O-CB 3.27Å; R155-S159 PolarHBondContact O-N 3.43Å
156Q93.4Very high93Very high93 Ų9347 Ų4744%0.43524%0.235SC..Hα-helixtrans-61.7-43.5-179.6-72.6176.714.700111.5E152 Q153 V154E152-Q156 WeakPolarHBondContact O-CG 3.38Å; E152-Q156 PolarHBondContact O-N 2.92Å; E152-Q156 WeakPolarHBondContact OE1-CG 3.43Å; E152-Q156 PolarHBondContact OE1-NE2 3.1Å; Q153-Q156 PolarHBondContact O-N 3.04Å; V154-Q156 PolarHBondContact O-N 3.39Å
157H91.8Very high92.7Very high80 Ų8045.9 Ų45.937%0.3722%0.222SC..Hα-helixtrans-68.3-45.2176.9-168.4-108.1000111.8Y87 Q153 V154 R155 S159 R160 L161Y87-H157 HydrophobicContact CE1-CB 4.04Å; Y87-H157 AromaticContact CE1-ND1 3.37Å; Y87-H157 WeakPolarHBondContact CE1-ND1 3.49Å; Y87-H157 AromaticContact CZ-ND1 3.42Å; Y87-H157 PolarHBondContact OH-ND1 3.09Å; Q153-H157 PolarHBondContact O-N 3.5Å; V154-H157 PolarHBondContact O-N 3.2Å; R155-H157 VanDerWaalsContact C-N 3.34Å; R155-H157 PolarHBondContact O-N 3.37Å; H157-S159 VanDerWaalsContact C-N 3.26Å; H157-S159 PolarHBondContact O-N 3.35Å; H157-R160 WeakPolarHBondContact O-CB 3.44Å; H157-R160 PolarHBondContact O-N 3.47Å; H157-L161 PolarHBondContact O-N 3.39Å
158L91.1Very high92.5Very high0 Ų047.2 Ų47.20%023%0.23CC..Hα-helixtrans-62.2-33.7179.1-162.279.2000112.3F6 I9 P70 M83 Y87 V154 R155 R160 L161F6-L158 HydrophobicContact CB-CB 4.45Å; F6-L158 HydrophobicContact CB-CD2 3.67Å; F6-L158 HydrophobicContact CB-CG 3.58Å; F6-L158 HydrophobicContact CD1-CD1 4.49Å; F6-L158 HydrophobicContact CD1-CD2 3.65Å; F6-L158 HydrophobicContact CD1-CG 4.06Å; F6-L158 HydrophobicContact CD2-CD1 4.09Å; F6-L158 HydrophobicContact CD2-CD2 4.4Å; F6-L158 HydrophobicContact CD2-CG 3.89Å; F6-L158 HydrophobicContact CE1-CD2 4.39Å; F6-L158 HydrophobicContact CE2-CD1 4.35Å; F6-L158 HydrophobicContact CG-CD1 4.16Å; F6-L158 HydrophobicContact CG-CD2 3.66Å; F6-L158 HydrophobicContact CG-CG 3.58Å; I9-L158 HydrophobicContact CD1-CD2 3.6Å; P70-L158 HydrophobicContact CG-CD2 4.14Å; M83-L158 HydrophobicContact CE-CD1 4.03Å; M83-L158 HydrophobicContact CG-CD1 4.38Å; M83-L158 HydrophobicContact SD-CD1 4.16Å; Y87-L158 HydrophobicContact CE2-CD1 3.72Å; Y87-L158 WeakPolarHBondContact OH-CA 3.46Å; Y87-L158 PolarHBondContact OH-N 3.49Å; V154-L158 WeakPolarHBondContact O-CB 3.45Å; V154-L158 PolarHBondContact O-N 3.3Å; R155-L158 PolarHBondContact O-N 3.27Å; L158-R160 PolarHBondContact O-N 3.22Å; L158-L161 HydrophobicContact CD1-CD1 3.69Å; L158-L161 PolarHBondContact O-N 3.38Å
159S90.9Very high92.4Very high33 Ų3349.4 Ų49.423%0.23124%0.238CC..THydrogen-bonded Turntrans-64.9-21.7174.8-1770000113.5K7 R155 H157K7-S159 WeakPolarHBondContact CE-O 3.39Å; R155-S159 WeakPolarHBondContact O-CB 3.27Å; R155-S159 PolarHBondContact O-N 3.43Å; H157-S159 VanDerWaalsContact C-N 3.26Å; H157-S159 PolarHBondContact O-N 3.35Å
160R88.5Confident92.3Very high204 Ų20444.9 Ų44.977%0.7722%0.217SC*.THydrogen-bonded Turntrans-91.2-16.9177.9-64.9177.8-178.3175.40.7112.7H157 L158H157-R160 WeakPolarHBondContact O-CB 3.44Å; H157-R160 PolarHBondContact O-N 3.47Å; L158-R160 PolarHBondContact O-N 3.22Å
161L87.7Confident92.3Very high23 Ų2343.3 Ų43.312%0.1221%0.211CC..SBendtrans-62.1138.5178.4-70-176.3000111L86 H157 L158L86-L161 HydrophobicContact CD1-CD1 4.09Å; L86-L161 HydrophobicContact CD1-CD2 4.09Å; H157-L161 PolarHBondContact O-N 3.39Å; L158-L161 HydrophobicContact CD1-CD1 3.69Å; L158-L161 PolarHBondContact O-N 3.38Å
162P88.3Confident92.2Very high38 Ų3843.3 Ų43.325%0.24721%0.211CC..  trans-70.3149.6176.431.4-36.4000111.2I164 L205 V207P162-I164 HydrophobicContact CG-CD1 4.28Å; P162-I164 HydrophobicContact CG-CG1 4.47Å; P162-I164 PolarHBondContact O-N 3.39Å; P162-L205 WeakPolarHBondContact CG-O 3.24Å; P162-V207 HydrophobicContact CB-CB 4.13Å; P162-V207 HydrophobicContact CB-CG2 3.57Å; P162-V207 HydrophobicContact CG-CG2 3.76Å
163S88.4Confident92.2Very high63 Ų6342.1 Ų42.144%0.44121%0.206SC..  trans-81.9111172.156.10000109.8
164I90.6Very high92Very high5 Ų536.6 Ų36.63%0.02618%0.18CC..  trans-113.3124.6178.7-62.8168000107.1F78 Y79 P162 P166 L205 V207 V220 L247F78-I164 HydrophobicContact CE1-CB 4.09Å; F78-I164 HydrophobicContact CE1-CD1 4.12Å; F78-I164 HydrophobicContact CE1-CG2 4.14Å; F78-I164 HydrophobicContact CZ-CD1 3.93Å; Y79-I164 WeakPolarHBondContact CE2-O 3.35Å; Y79-I164 PolarHBondContact OH-N 3.3Å; Y79-I164 PolarHBondContact OH-O 3.29Å; P162-I164 HydrophobicContact CG-CD1 4.28Å; P162-I164 HydrophobicContact CG-CG1 4.47Å; P162-I164 PolarHBondContact O-N 3.39Å; I164-P166 WeakPolarHBondContact O-CD 3.28Å; I164-L205 HydrophobicContact CD1-CD1 4.49Å; I164-V207 HydrophobicContact CD1-CG2 3.76Å; I164-V207 HydrophobicContact CG1-CG2 3.35Å; I164-V220 HydrophobicContact CD1-CG1 4.45Å; I164-L247 HydrophobicContact CG2-CD1 4.47Å; I164-L247 HydrophobicContact CG2-CD2 3.86Å
165D91.4Very high91.8Very high47 Ų4736.4 Ų36.425%0.25118%0.179SC..  trans-88.7111.9169.3179.9-1.7000109N167 T168 Q218D165-N167 PolarHBondContact O-N 2.91Å; D165-N167 VanDerWaalsContact O-N 3.15Å; D165-N167 PolarHBondContact OD1-N 3.29Å; D165-T168 HydrophobicContact CB-CG2 3.8Å; D165-T168 WeakPolarHBondContact O-CG2 3.38Å; D165-T168 PolarHBondContact O-N 3.47Å; D165-Q218 PolarHBondContact O-NE2 3.26Å
166P91.2Very high91.6Very high6 Ų635.1 Ų35.14%0.03917%0.174CC..THydrogen-bonded Turntrans-65.2-19.5-178.326.5-34.5000113.2H76 F78 I164 L247H76-P166 HydrophobicContact CB-CG 4.42Å; H76-P166 VanDerWaalsContact CE1-CB 3.48Å; H76-P166 WeakPolarHBondContact CE1-CB 3.47Å; F78-P166 HydrophobicContact CB-CB 4.45Å; I164-P166 WeakPolarHBondContact O-CD 3.28Å; P166-L247 HydrophobicContact CB-CD2 4.07Å
167N89.7Confident91.4Very high55 Ų5531.2 Ų31.229%0.29416%0.157SC..THydrogen-bonded Turntrans-97.8-4.9-178.3-67.5-58000113.5M1 D165 R343M1-N167 HydrophobicContact SD-CB 4.34Å; D165-N167 PolarHBondContact O-N 2.91Å; D165-N167 VanDerWaalsContact O-N 3.15Å; D165-N167 PolarHBondContact OD1-N 3.29Å; N167-R343 PolarHBondContact O-NH2 3.24Å
168T92.4Very high91.3Very high34 Ų3430 Ų3021%0.20915%0.153CC..SBendtrans-85.5175.8176.8-158.10000112.3D165 T170 Q218 R343D165-T168 HydrophobicContact CB-CG2 3.8Å; D165-T168 WeakPolarHBondContact O-CG2 3.38Å; D165-T168 PolarHBondContact O-N 3.47Å; T168-T170 PolarHBondContact O-N 3.2Å; T168-T170 PolarHBondContact O-OG1 3.19Å; T168-Q218 HydrophobicContact CG2-CG 3.83Å; T168-R343 PolarHBondContact O-NH2 3.29Å; T168-R343 VanDerWaalsContact O-NH2 3.09Å
169R94.3Very high91.3Very high46 Ų4630 Ų3017%0.17415%0.153CC..  trans-74.1116.6179-62.5173.3-167.677-6.8108.8W217 Q218 L339R169-W217 HydrophobicContact CB-CD2 3.85Å; R169-W217 HydrophobicContact CB-CE3 3.62Å; R169-W217 HydrophobicContact CB-CG 4.5Å; R169-W217 HydrophobicContact CB-CH2 4.21Å; R169-W217 HydrophobicContact CB-CZ2 4.45Å; R169-W217 HydrophobicContact CB-CZ3 3.85Å; R169-W217 HydrophobicContact CG-CH2 4.42Å; R169-Q218 WeakPolarHBondContact O-CG 3.31Å; R169-Q218 PolarHBondContact O-N 2.8Å; R169-L339 HydrophobicContact CB-CD2 4.33Å
170T95.3Very high91.2Very high0 Ų029 Ų290%015%0.148CC..EExtended strand (participates in β ladder)trans-123.9136-172.8-470000109.7T168 Q218 V220 L247 A249 A250 L339T168-T170 PolarHBondContact O-N 3.2Å; T168-T170 PolarHBondContact O-OG1 3.19Å; T170-Q218 CarbonylContact C-O 3.56Å; T170-Q218 VanDerWaalsContact CA-O 3.25Å; T170-Q218 WeakPolarHBondContact CA-O 3.31Å; T170-Q218 HydrophobicContact CG2-CG 3.77Å; T170-Q218 PolarHBondContact OG1-NE2 3.4Å; T170-V220 HydrophobicContact CG2-CB 4.36Å; T170-V220 HydrophobicContact CG2-CG2 3.65Å; T170-L247 HydrophobicContact CG2-CD1 4.41Å; T170-A249 HydrophobicContact CG2-CB 3.82Å; T170-A249 CarbonylContact O-C 3.58Å; T170-A249 WeakPolarHBondContact O-CA 3.34Å; T170-A249 VanDerWaalsContact O-CB 3.3Å; T170-A249 WeakPolarHBondContact O-CB 3.29Å; T170-A250 PolarHBondContact O-N 3.32Å; T170-L339 WeakPolarHBondContact O-CD2 3.37Å
171L95.7Very high91.4Very high2 Ų219.8 Ų19.81%0.0111%0.114CC..EExtended strand (participates in β ladder)trans-105.2133.2160.1-59.5-174.5000107.4M210 W217 Q218 V219 V220 A250 L252 A335L171-M210 HydrophobicContact CD1-CE 3.34Å; L171-M210 HydrophobicContact CG-CE 4.19Å; L171-W217 HydrophobicContact CD2-CE3 4.31Å; L171-W217 HydrophobicContact CD2-CZ3 4.18Å; L171-W217 HydrophobicContact CG-CE3 4.25Å; L171-Q218 PolarHBondContact N-O 2.83Å; L171-V219 HydrophobicContact CB-CG2 4.36Å; L171-V219 HydrophobicContact CD1-CG2 4.44Å; L171-V219 CarbonylContact O-C 3.48Å; L171-V219 WeakPolarHBondContact O-CA 3.34Å; L171-V220 PolarHBondContact O-N 3.13Å; L171-A250 CarbonylContact C-O 3.55Å; L171-A250 WeakPolarHBondContact CA-O 3.27Å; L171-A250 HydrophobicContact CD2-CB 3.49Å; L171-A250 VanDerWaalsContact CD2-CB 3.49Å; L171-L252 HydrophobicContact CB-CD1 4.1Å; L171-L252 HydrophobicContact CD1-CD1 4.26Å; L171-A335 HydrophobicContact CD1-CB 4.21Å; L171-A335 HydrophobicContact CD2-CB 3.84Å
172L95.2Very high91.6Very high0 Ų019.4 Ų19.40%011%0.113CC..EExtended strand (participates in β ladder)trans-118.7121.4-177.6-171.762.2000108.5V220 T222 A243 L244 L247 A249 A250 L252L172-V220 HydrophobicContact CD1-CB 3.64Å; L172-V220 HydrophobicContact CD1-CG1 3.61Å; L172-T222 HydrophobicContact CD1-CG2 3.36Å; L172-T222 HydrophobicContact CG-CG2 4.01Å; L172-A243 HydrophobicContact CD1-CB 4.18Å; L172-A243 HydrophobicContact CD2-CB 4.4Å; L172-L244 HydrophobicContact CD2-CB 4.45Å; L172-L244 HydrophobicContact CD2-CD2 3.6Å; L172-L244 HydrophobicContact CD2-CG 3.95Å; L172-L244 HydrophobicContact CG-CD2 4.45Å; L172-L247 HydrophobicContact CD1-CD1 4.24Å; L172-A249 HydrophobicContact CB-CB 3.87Å; L172-A250 PolarHBondContact N-O 3.48Å; L172-L252 PolarHBondContact O-N 3.14Å
173L94.3Very high91.8Very high0 Ų018.9 Ų18.90%011%0.11CC..EExtended strand (participates in β ladder)trans-90.7123.5179.4-59.4170.2000109K181 F184 I185 V219 V220 D221 T222 L252L173-K181 HydrophobicContact CB-CB 4.3Å; L173-K181 HydrophobicContact CB-CD 4.43Å; L173-F184 HydrophobicContact CD1-CD1 4.12Å; L173-F184 HydrophobicContact CD2-CD1 3.57Å; L173-F184 HydrophobicContact CD2-CE1 3.86Å; L173-F184 HydrophobicContact CD2-CG 4.49Å; L173-I185 HydrophobicContact CD1-CB 3.9Å; L173-V219 HydrophobicContact CD1-CG1 3.9Å; L173-V219 HydrophobicContact CG-CG1 4.12Å; L173-V220 PolarHBondContact N-O 3.44Å; L173-D221 HydrophobicContact CD1-CB 4.35Å; L173-T222 WeakPolarHBondContact O-CG2 3.46Å; L173-T222 PolarHBondContact O-N 3.4Å; L173-T222 PolarHBondContact O-OG1 3Å; L173-L252 HydrophobicContact CD2-CB 3.87Å; L173-L252 HydrophobicContact CD2-CD1 3.64Å; L173-L252 HydrophobicContact CD2-CG 4.41Å
174C92Very high92Very high0 Ų016.1 Ų16.10%09%0.09CC..EExtended strand (participates in β ladder)trans-135.5157.4179.6-64.30000110.9L244 V251 L252 Y253 V254C174-L244 VanDerWaalsContact SG-CD2 3.51Å; C174-V251 HydrophobicContact CB-CG1 4.43Å; C174-L252 PolarHBondContact N-O 3.19Å; C174-Y253 HydrophobicContact CB-CD2 4.47Å; C174-Y253 CarbonylContact O-C 3.54Å; C174-Y253 WeakPolarHBondContact O-CA 3.33Å; C174-V254 PolarHBondContact O-N 2.96Å
175G91Very high92.2Very high1 Ų115.9 Ų15.91%0.019%0.089CC..SBendtrans142.8178-177.600000112K181 G224 I225G175-K181 PolarHBondContact O-NZ 3.22Å; G175-G224 WeakPolarHBondContact O-CA 3.45Å; G175-I225 PolarHBondContact O-N 3.21Å
176Y90.3Very high92.3Very high8 Ų815.9 Ų15.93%0.0319%0.089CC..SBendtrans-59157.4-179-89.6-90.6000113.1V179 K181 L226 H263 E267 Q268 L271Y176-V179 WeakPolarHBondContact O-CG2 3.29Å; Y176-K181 PolarHBondContact O-NZ 3.33Å; Y176-L226 HydrophobicContact CD1-CD2 4.05Å; Y176-L226 HydrophobicContact CE1-CD2 4.05Å; Y176-H263 HydrophobicContact CD1-CB 4.24Å; Y176-H263 AromaticContact CD1-CD2 3.27Å; Y176-H263 WeakPolarHBondContact CD1-CD2 3.28Å; Y176-H263 AromaticContact CD1-CG 3.64Å; Y176-H263 AromaticContact CD1-NE2 3.62Å; Y176-H263 HydrophobicContact CE1-CB 4.28Å; Y176-H263 AromaticContact CE1-CD2 3.65Å; Y176-H263 AromaticContact CE1-CE1 3.79Å; Y176-H263 AromaticContact CE1-CG 3.62Å; Y176-H263 AromaticContact CE1-ND1 3.71Å; Y176-H263 AromaticContact CE1-NE2 3.74Å; Y176-E267 PolarHBondContact OH-O 2.7Å; Y176-Q268 HydrophobicContact CD2-CB 4.3Å; Y176-Q268 HydrophobicContact CD2-CG 3.73Å; Y176-Q268 HydrophobicContact CE2-CB 4.35Å; Y176-Q268 HydrophobicContact CE2-CG 4.08Å; Y176-Q268 HydrophobicContact CG-CG 4.46Å; Y176-L271 HydrophobicContact CD2-CB 4.4Å; Y176-L271 HydrophobicContact CD2-CD2 3.49Å; Y176-L271 VanDerWaalsContact CD2-CD2 3.49Å; Y176-L271 HydrophobicContact CE2-CB 3.47Å; Y176-L271 VanDerWaalsContact CE2-CB 3.47Å; Y176-L271 HydrophobicContact CE2-CD2 3.3Å; Y176-L271 HydrophobicContact CE2-CG 3.99Å; Y176-L271 HydrophobicContact CG-CD2 4.21Å
177P89.4Confident92.4Very high11 Ų1120.6 Ų20.67%0.07111%0.109CC..THydrogen-bonded Turntrans-51.9152.9165.1-22.634000111.5V179 A199 L226P177-V179 PolarHBondContact O-N 3.34Å; P177-A199 HydrophobicContact CB-CB 3.83Å; P177-A199 HydrophobicContact CG-CB 4.36Å; P177-L226 HydrophobicContact CG-CD2 3.98Å
178N88.9Confident92.6Very high54 Ų5418.9 Ų18.929%0.28910%0.101SC..THydrogen-bonded Turntrans61.95.2174-60.8-14.8000118.3G180 P197 Y198 C261 K290N178-G180 PolarHBondContact O-N 3.14Å; N178-P197 PolarHBondContact ND2-O 3.25Å; N178-Y198 PolarHBondContact OD1-O 3.16Å; N178-C261 HydrophobicContact CB-CB 4.3Å; N178-K290 PolarHBondContact O-NZ 3.43Å; N178-K290 VanDerWaalsContact O-NZ 3.13Å
179V91.1Very high92.7Very high0 Ų017.9 Ų17.90%09%0.094CC..SBendtrans-73.6-9.6174.1-56.80000113.9Y176 P177 K181 V254 D256 C261 N289Y176-V179 WeakPolarHBondContact O-CG2 3.29Å; P177-V179 PolarHBondContact O-N 3.34Å; V179-K181 HydrophobicContact CG2-CD 4.33Å; V179-K181 HydrophobicContact CG2-CG 3.64Å; V179-V254 HydrophobicContact CB-CG1 4.16Å; V179-V254 HydrophobicContact CG2-CB 3.85Å; V179-V254 HydrophobicContact CG2-CG1 3.75Å; V179-D256 HydrophobicContact CB-CB 4.25Å; V179-D256 HydrophobicContact CG1-CB 4.07Å; V179-C261 HydrophobicContact CG1-CB 3.91Å; V179-N289 PolarHBondContact O-ND2 3.07Å
180G89.9Confident92.5Very high13 Ų1327.7 Ų27.713%0.13413%0.131CC..SBendtrans97.922.1176.800000116.4N178 S183 F184N178-G180 PolarHBondContact O-N 3.14Å; G180-S183 PolarHBondContact O-N 3.49Å; G180-F184 PolarHBondContact O-N 3.03Å
181K92Very high92.2Very high9 Ų928.8 Ų28.84%0.03914%0.141CC..Hα-helixtrans-56.3-49.9174.9-56.9-173-64-78.90112.9L173 G175 Y176 V179 S183 F184 I185 D221 T222 V254L173-K181 HydrophobicContact CB-CB 4.3Å; L173-K181 HydrophobicContact CB-CD 4.43Å; G175-K181 PolarHBondContact O-NZ 3.22Å; Y176-K181 PolarHBondContact O-NZ 3.33Å; V179-K181 HydrophobicContact CG2-CD 4.33Å; V179-K181 HydrophobicContact CG2-CG 3.64Å; K181-S183 VanDerWaalsContact C-N 3.31Å; K181-S183 PolarHBondContact O-N 3.19Å; K181-F184 WeakPolarHBondContact O-CB 3.46Å; K181-F184 PolarHBondContact O-N 3.11Å; K181-F184 VanDerWaalsContact O-N 3.09Å; K181-I185 PolarHBondContact O-N 2.8Å; K181-I185 VanDerWaalsContact O-N 3.08Å; K181-D221 WeakPolarHBondContact CB-OD1 3.45Å; K181-T222 VanDerWaalsContact CE-O 3.22Å; K181-T222 WeakPolarHBondContact CE-O 3.39Å; K181-V254 HydrophobicContact CG-CB 4.12Å; K181-V254 HydrophobicContact CG-CG2 4.06Å
182S92Very high91.8Very high15 Ų1536 Ų3611%0.10518%0.179CC..Hα-helixtrans-67.2-31.4-179.7-49.50000112.5I185 N186 T202 D221S182-I185 WeakPolarHBondContact O-CG2 3.44Å; S182-N186 VanDerWaalsContact O-CG 3.3Å; S182-N186 PolarHBondContact O-N 3.02Å; S182-N186 PolarHBondContact O-ND2 2.84Å; S182-T202 VanDerWaalsContact OG-CG2 3.26Å; S182-T202 WeakPolarHBondContact OG-CG2 3.47Å; S182-D221 WeakPolarHBondContact CA-OD2 3.35Å; S182-D221 WeakPolarHBondContact CB-OD2 3.26Å; S182-D221 PolarHBondContact OG-OD2 3.02Å
183S92.3Very high91.5Very high28 Ų2836.1 Ų36.120%0.19618%0.18CC..Hα-helixtrans-67.1-39.3170.5-51.90000111.9G180 K181 N186 K187 V195G180-S183 PolarHBondContact O-N 3.49Å; K181-S183 VanDerWaalsContact C-N 3.31Å; K181-S183 PolarHBondContact O-N 3.19Å; S183-N186 PolarHBondContact O-N 3.05Å; S183-K187 WeakPolarHBondContact O-CG 3.31Å; S183-K187 PolarHBondContact O-N 3.2Å; S183-K187 VanDerWaalsContact O-N 3.14Å; S183-V195 WeakPolarHBondContact OG-CG1 3.47Å
184F93.9Very high91.2Very high5 Ų541.9 Ų41.92%0.02221%0.21CC..Hα-helixtrans-63.9-44.8178.4-176.3-90.2000112L173 G180 K181 N186 K187 V188 L252 T322 V328 V331L173-F184 HydrophobicContact CD1-CD1 4.12Å; L173-F184 HydrophobicContact CD2-CD1 3.57Å; L173-F184 HydrophobicContact CD2-CE1 3.86Å; L173-F184 HydrophobicContact CD2-CG 4.49Å; G180-F184 PolarHBondContact O-N 3.03Å; K181-F184 WeakPolarHBondContact O-CB 3.46Å; K181-F184 PolarHBondContact O-N 3.11Å; K181-F184 VanDerWaalsContact O-N 3.09Å; F184-N186 VanDerWaalsContact C-N 3.34Å; F184-N186 PolarHBondContact O-N 3.4Å; F184-K187 PolarHBondContact O-N 3.37Å; F184-V188 HydrophobicContact CD1-CG2 3.96Å; F184-V188 HydrophobicContact CD2-CG2 4.46Å; F184-V188 HydrophobicContact CE1-CB 4.46Å; F184-V188 HydrophobicContact CE1-CG2 3.6Å; F184-V188 HydrophobicContact CE2-CG2 4.14Å; F184-V188 HydrophobicContact CG-CG2 4.39Å; F184-V188 HydrophobicContact CZ-CG2 3.69Å; F184-V188 WeakPolarHBondContact O-CB 3.3Å; F184-V188 WeakPolarHBondContact O-CG2 2.99Å; F184-V188 PolarHBondContact O-N 3.22Å; F184-L252 HydrophobicContact CE1-CD1 4.26Å; F184-T322 HydrophobicContact CB-CG2 4.15Å; F184-V328 HydrophobicContact CD2-CG1 4.36Å; F184-V328 HydrophobicContact CE2-CG1 3.97Å; F184-V331 HydrophobicContact CE2-CB 4.39Å; F184-V331 HydrophobicContact CE2-CG1 4.21Å; F184-V331 HydrophobicContact CZ-CB 4.24Å; F184-V331 HydrophobicContact CZ-CG1 3.76Å
185I94.3Very high90.9Very high0 Ų045.1 Ų45.10%023%0.23CC..Hα-helixtrans-62.1-38.7176.2-176.6172000112.4L173 K181 S182 K187 V188 T189 A191 V193 V219 D221L173-I185 HydrophobicContact CD1-CB 3.9Å; K181-I185 PolarHBondContact O-N 2.8Å; K181-I185 VanDerWaalsContact O-N 3.08Å; S182-I185 WeakPolarHBondContact O-CG2 3.44Å; I185-K187 VanDerWaalsContact C-N 3.31Å; I185-K187 PolarHBondContact O-N 2.9Å; I185-V188 PolarHBondContact O-N 2.93Å; I185-T189 HydrophobicContact CG1-CG2 4.22Å; I185-T189 WeakPolarHBondContact CG1-OG1 3.4Å; I185-T189 WeakPolarHBondContact O-CA 3.35Å; I185-T189 WeakPolarHBondContact O-CB 3.48Å; I185-T189 PolarHBondContact O-N 3.24Å; I185-T189 PolarHBondContact O-OG1 2.99Å; I185-A191 HydrophobicContact CD1-CB 4.3Å; I185-A191 HydrophobicContact CG1-CB 4.14Å; I185-V193 HydrophobicContact CD1-CG2 4.49Å; I185-V193 HydrophobicContact CG2-CB 4.42Å; I185-V193 HydrophobicContact CG2-CG2 3.97Å; I185-V219 HydrophobicContact CD1-CG1 4.36Å; I185-V219 HydrophobicContact CG1-CG1 4.22Å; I185-D221 HydrophobicContact CD1-CB 3.88Å; I185-D221 HydrophobicContact CG2-CB 4.27Å
186N93.3Very high90.6Very high47 Ų4749.6 Ų49.625%0.25125%0.251SS..Hα-helixtrans-67.5-29.9177.3-69.3-9.4000112.8S182 S183 F184 T189 A191 V193S182-N186 VanDerWaalsContact O-CG 3.3Å; S182-N186 PolarHBondContact O-N 3.02Å; S182-N186 PolarHBondContact O-ND2 2.84Å; S183-N186 PolarHBondContact O-N 3.05Å; F184-N186 VanDerWaalsContact C-N 3.34Å; F184-N186 PolarHBondContact O-N 3.4Å; N186-T189 CarbonylContact C-O 3.58Å; N186-A191 PolarHBondContact OD1-O 3.16Å; N186-V193 PolarHBondContact ND2-O 2.95Å; N186-V193 PolarHBondContact OD1-N 2.86Å
187K93.6Very high90.3Very high104 Ų10454.3 Ų54.345%0.45228%0.282SS..Hα-helixtrans-80.7-35.3175.5-69.4-63.3-1711710112.8S183 F184 I185 T322 E325 V328S183-K187 WeakPolarHBondContact O-CG 3.31Å; S183-K187 PolarHBondContact O-N 3.2Å; S183-K187 VanDerWaalsContact O-N 3.14Å; F184-K187 PolarHBondContact O-N 3.37Å; I185-K187 VanDerWaalsContact C-N 3.31Å; I185-K187 PolarHBondContact O-N 2.9Å; K187-T322 VanDerWaalsContact CE-O 3.29Å; K187-T322 WeakPolarHBondContact CE-O 3.36Å; K187-E325 HydrophobicContact CD-CG 4.42Å; K187-E325 IonicContact NZ-OE1 3.8Å; K187-E325 PolarHBondContact NZ-OE1 3.24Å; K187-V328 HydrophobicContact CB-CG1 4.46Å
188V94.1Very high89.9Confident20 Ų2060.5 Ų60.512%0.12131%0.306CS..Hα-helixtrans-83-30-178.1172.30000112.8F184 I185 M210 V219 V328 K332F184-V188 HydrophobicContact CD1-CG2 3.96Å; F184-V188 HydrophobicContact CD2-CG2 4.46Å; F184-V188 HydrophobicContact CE1-CB 4.46Å; F184-V188 HydrophobicContact CE1-CG2 3.6Å; F184-V188 HydrophobicContact CE2-CG2 4.14Å; F184-V188 HydrophobicContact CG-CG2 4.39Å; F184-V188 HydrophobicContact CZ-CG2 3.69Å; F184-V188 WeakPolarHBondContact O-CB 3.3Å; F184-V188 WeakPolarHBondContact O-CG2 2.99Å; F184-V188 PolarHBondContact O-N 3.22Å; I185-V188 PolarHBondContact O-N 2.93Å; V188-M210 HydrophobicContact CG1-SD 3.37Å; V188-M210 WeakPolarHBondContact CG1-SD 3.18Å; V188-V219 HydrophobicContact CG1-CG2 4.39Å; V188-V328 HydrophobicContact CG2-CG1 3.48Å; V188-V328 VanDerWaalsContact CG2-CG1 3.48Å; V188-K332 HydrophobicContact CG1-CD 4.29Å
189T93.8Very high89.5Confident12 Ų1260 Ų607%0.07431%0.308CS..SBendtrans-128.5170.6-173.977.40000111I185 N186 A191 M210 V219I185-T189 HydrophobicContact CG1-CG2 4.22Å; I185-T189 WeakPolarHBondContact CG1-OG1 3.4Å; I185-T189 WeakPolarHBondContact O-CA 3.35Å; I185-T189 WeakPolarHBondContact O-CB 3.48Å; I185-T189 PolarHBondContact O-N 3.24Å; I185-T189 PolarHBondContact O-OG1 2.99Å; N186-T189 CarbonylContact C-O 3.58Å; T189-A191 PolarHBondContact O-N 2.93Å; T189-A191 VanDerWaalsContact OG1-CB 3.29Å; T189-A191 WeakPolarHBondContact OG1-CB 3.4Å; T189-A191 PolarHBondContact OG1-N 3.2Å; T189-M210 HydrophobicContact CG2-CB 4.2Å; T189-V219 HydrophobicContact CG2-CB 3.97Å; T189-V219 HydrophobicContact CG2-CG2 3.71Å
190R89.9Confident88.9Confident253 Ų25363.2 Ų63.296%0.95532%0.323SS*.SBendtrans-86.820.4171.8-58.9-176.4-177.3-169.7-0.3113
191A88.6Confident88.4Confident23 Ų2364.3 Ų64.319%0.1933%0.327CS..  trans-71.5148.7174.400000109.7I185 N186 T189 V193I185-A191 HydrophobicContact CD1-CB 4.3Å; I185-A191 HydrophobicContact CG1-CB 4.14Å; N186-A191 PolarHBondContact OD1-O 3.16Å; T189-A191 PolarHBondContact O-N 2.93Å; T189-A191 VanDerWaalsContact OG1-CB 3.29Å; T189-A191 WeakPolarHBondContact OG1-CB 3.4Å; T189-A191 PolarHBondContact OG1-N 3.2Å; A191-V193 HydrophobicContact CB-CG2 4.29Å
192D87.9Confident87.7Confident152 Ų15264.5 Ų64.581%0.81333%0.328SS*.  trans-116.587.8175.5-166.516.3000107.6
193V89.3Confident87.3Confident4 Ų470.3 Ų70.32%0.02435%0.352CS..  trans-101.8130.2177.6-1740000108.4I185 N186 A191 V195 T202 F206I185-V193 HydrophobicContact CD1-CG2 4.49Å; I185-V193 HydrophobicContact CG2-CB 4.42Å; I185-V193 HydrophobicContact CG2-CG2 3.97Å; N186-V193 PolarHBondContact ND2-O 2.95Å; N186-V193 PolarHBondContact OD1-N 2.86Å; A191-V193 HydrophobicContact CB-CG2 4.29Å; V193-V195 PolarHBondContact O-N 3.42Å; V193-T202 HydrophobicContact CG1-CG2 3.68Å; V193-F206 HydrophobicContact CG1-CD2 4.06Å; V193-F206 HydrophobicContact CG1-CE2 4.32Å; V193-F206 HydrophobicContact CG1-CG 4.36Å; V193-F206 HydrophobicContact CG2-CB 4.02Å; V193-F206 HydrophobicContact CG2-CD1 4.39Å; V193-F206 HydrophobicContact CG2-CG 4.1Å
194D86.6Confident87Confident120 Ų12070.9 Ų70.964%0.64236%0.356SS*.  trans-61130177.1-68.8-38.4000110.9T201D194-T201 HydrophobicContact CB-CG2 4.35Å; D194-T201 WeakPolarHBondContact O-CG2 3.22Å
195V86.1Confident86.8Confident69 Ų6970.9 Ų70.942%0.41836%0.356SS..  trans-116.3119.4175.9-177.70000108.5S183 V193S183-V195 WeakPolarHBondContact OG-CG1 3.47Å; V193-V195 PolarHBondContact O-N 3.42Å
196Q86.1Confident86.6Confident94 Ų9474.6 Ų74.644%0.43937%0.372SS..  trans-137.9154.1179.5-64.8-66.9-30.400109.6Y198 T201Q196-Y198 HydrophobicContact CB-CD1 3.9Å; Q196-Y198 HydrophobicContact CB-CE1 3.42Å; Q196-Y198 VanDerWaalsContact CB-CE1 3.42Å; Q196-Y198 HydrophobicContact CB-CE2 4.19Å; Q196-Y198 HydrophobicContact CB-CG 4.48Å; Q196-Y198 HydrophobicContact CG-CE1 3.9Å; Q196-Y198 PolarHBondContact O-N 3.48Å; Q196-T201 HydrophobicContact CB-CG2 3.93Å; Q196-T201 HydrophobicContact CG-CG2 4.18Å; Q196-T201 PolarHBondContact O-OG1 3.43Å
197P82.8Confident86.6Confident107 Ų10773.7 Ų73.770%0.69537%0.368SS*.SBendtrans-77.1-3.4-172.730.7-35.9000114.2N178N178-P197 PolarHBondContact ND2-O 3.25Å
198Y81.9Confident86.6Confident142 Ų14268.8 Ų68.856%0.55735%0.347SS*.SBendtrans-99.5149.4179.753.2-97000112.1N178 Q196 T201N178-Y198 PolarHBondContact OD1-O 3.16Å; Q196-Y198 HydrophobicContact CB-CD1 3.9Å; Q196-Y198 HydrophobicContact CB-CE1 3.42Å; Q196-Y198 VanDerWaalsContact CB-CE1 3.42Å; Q196-Y198 HydrophobicContact CB-CE2 4.19Å; Q196-Y198 HydrophobicContact CB-CG 4.48Å; Q196-Y198 HydrophobicContact CG-CE1 3.9Å; Q196-Y198 PolarHBondContact O-N 3.48Å; Y198-T201 PolarHBondContact O-OG1 3.04Å
199A79.6Confident86.6Confident42 Ų4271.6 Ų71.635%0.34736%0.359SS..THydrogen-bonded Turntrans-62.2157.5179.100000112.1P177 T201P177-A199 HydrophobicContact CB-CB 3.83Å; P177-A199 HydrophobicContact CG-CB 4.36Å; A199-T201 VanDerWaalsContact C-N 3.25Å; A199-T201 PolarHBondContact O-N 2.62Å
200F80Confident86.7Confident69 Ų6971.4 Ų71.430%0.30336%0.358SS..THydrogen-bonded Turntrans61.127.2-178.3-54.3-79.5000115.3T202 K203 L226 I236F200-T202 VanDerWaalsContact C-N 3.27Å; F200-T202 PolarHBondContact O-N 2.81Å; F200-K203 WeakPolarHBondContact O-CG 3.34Å; F200-L226 HydrophobicContact CZ-CD1 3.92Å; F200-I236 HydrophobicContact CD1-CD1 4.39Å; F200-I236 HydrophobicContact CD1-CG2 4.4Å
201T77.9Confident87Confident36 Ų3664.8 Ų64.822%0.22134%0.341CS..SBendtrans-55.8-43.8169.3-62.30000110.8D194 Q196 Y198 A199D194-T201 HydrophobicContact CB-CG2 4.35Å; D194-T201 WeakPolarHBondContact O-CG2 3.22Å; Q196-T201 HydrophobicContact CB-CG2 3.93Å; Q196-T201 HydrophobicContact CG-CG2 4.18Å; Q196-T201 PolarHBondContact O-OG1 3.43Å; Y198-T201 PolarHBondContact O-OG1 3.04Å; A199-T201 VanDerWaalsContact C-N 3.25Å; A199-T201 PolarHBondContact O-N 2.62Å
202T78.4Confident87.3Confident12 Ų1265.5 Ų65.57%0.07434%0.339CS..  trans-97.5107.6172.953.90000111.6S182 V193 F200 F206 P223S182-T202 VanDerWaalsContact OG-CG2 3.26Å; S182-T202 WeakPolarHBondContact OG-CG2 3.47Å; V193-T202 HydrophobicContact CG1-CG2 3.68Å; F200-T202 VanDerWaalsContact C-N 3.27Å; F200-T202 PolarHBondContact O-N 2.81Å; T202-F206 HydrophobicContact CG2-CD2 4.11Å; T202-F206 HydrophobicContact CG2-CE2 4.11Å; T202-P223 WeakPolarHBondContact O-CB 3.18Å
203K82.7Confident87.7Confident138 Ų13865.1 Ų65.160%0.633%0.326SS*.  trans-93.8-12178.8-61.2-175.4179.11790114.7F200 I236F200-K203 WeakPolarHBondContact O-CG 3.34Å; K203-I236 HydrophobicContact CB-CD1 4.26Å; K203-I236 HydrophobicContact CG-CD1 4.16Å
204S86.1Confident87.9Confident39 Ų3976.3 Ų76.327%0.27337%0.37SS..SBendtrans-134.4159.8179.957.70000110.9F206S204-F206 VanDerWaalsContact O-CD2 3.26Å; S204-F206 WeakPolarHBondContact O-CD2 3.32Å; S204-F206 PolarHBondContact O-N 3Å
205L89.3Confident88.3Confident6 Ų673.2 Ų73.23%0.03135%0.353CS..  trans-62.1129.4171.4-62.6169.9000110.1F78 L82 P162 I164 V220 D221 T222 A243F78-L205 HydrophobicContact CE2-CD1 4.42Å; F78-L205 HydrophobicContact CZ-CD1 4.11Å; L82-L205 HydrophobicContact CD1-CD1 4.34Å; P162-L205 WeakPolarHBondContact CG-O 3.24Å; I164-L205 HydrophobicContact CD1-CD1 4.49Å; L205-V220 HydrophobicContact CB-CG1 4.47Å; L205-V220 HydrophobicContact CD2-CG1 4.17Å; L205-D221 WeakPolarHBondContact CA-O 3.38Å; L205-T222 HydrophobicContact CD2-CG2 3.81Å; L205-A243 HydrophobicContact CD1-CB 4.05Å; L205-A243 HydrophobicContact CD2-CB 3.95Å
206F91.4Very high88.7Confident77 Ų7777.6 Ų77.634%0.33836%0.362SS..EExtended strand (participates in β ladder)trans-109.2154.3171.4-73.8-83.5000110.5V193 T202 S204 V220 D221V193-F206 HydrophobicContact CG1-CD2 4.06Å; V193-F206 HydrophobicContact CG1-CE2 4.32Å; V193-F206 HydrophobicContact CG1-CG 4.36Å; V193-F206 HydrophobicContact CG2-CB 4.02Å; V193-F206 HydrophobicContact CG2-CD1 4.39Å; V193-F206 HydrophobicContact CG2-CG 4.1Å; T202-F206 HydrophobicContact CG2-CD2 4.11Å; T202-F206 HydrophobicContact CG2-CE2 4.11Å; S204-F206 VanDerWaalsContact O-CD2 3.26Å; S204-F206 WeakPolarHBondContact O-CD2 3.32Å; S204-F206 PolarHBondContact O-N 3Å; F206-V220 CarbonylContact O-C 3.45Å; F206-V220 VanDerWaalsContact O-CA 3.3Å; F206-V220 WeakPolarHBondContact O-CA 3.31Å; F206-D221 HydrophobicContact CB-CB 4.26Å; F206-D221 PolarHBondContact N-O 2.82Å; F206-D221 VanDerWaalsContact N-O 3.14Å; F206-D221 PolarHBondContact O-N 3.43Å
207V92.7Very high89.2Confident28 Ų2873.2 Ų73.217%0.1734%0.341CS..EExtended strand (participates in β ladder)trans-130.9121.6-178.4-174.80000109.9P162 I164 Q218 V219 V220P162-V207 HydrophobicContact CB-CB 4.13Å; P162-V207 HydrophobicContact CB-CG2 3.57Å; P162-V207 HydrophobicContact CG-CG2 3.76Å; I164-V207 HydrophobicContact CD1-CG2 3.76Å; I164-V207 HydrophobicContact CG1-CG2 3.35Å; V207-Q218 HydrophobicContact CG1-CB 4.12Å; V207-V219 CarbonylContact C-O 3.48Å; V207-V219 WeakPolarHBondContact CA-O 3.44Å; V207-V220 HydrophobicContact CG2-CG2 4.33Å
208G93.6Very high89.8Confident1 Ų168.5 Ų68.51%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-105.2145.4168.500000110.1Q218 V219G208-Q218 CarbonylContact O-C 3.6Å; G208-Q218 WeakPolarHBondContact O-CA 3.43Å; G208-V219 PolarHBondContact N-O 2.82Å; G208-V219 PolarHBondContact O-N 3.49Å
209H94.9Very high90.4Very high79 Ų7961.8 Ų61.837%0.36628%0.284SS..EExtended strand (participates in β ladder)trans-106.7139.3171.7-66.5-63.9000110.1W217H209-W217 WeakPolarHBondContact CA-O 3.47Å
210M94.8Very high91.1Very high9 Ų959.8 Ų59.84%0.04427%0.267CS..EExtended strand (participates in β ladder)trans-137.5157.5171.266.3175-170.600110.6L171 V188 T189 W217 V219 K332 C336L171-M210 HydrophobicContact CD1-CE 3.34Å; L171-M210 HydrophobicContact CG-CE 4.19Å; V188-M210 HydrophobicContact CG1-SD 3.37Å; V188-M210 WeakPolarHBondContact CG1-SD 3.18Å; T189-M210 HydrophobicContact CG2-CB 4.2Å; M210-W217 HydrophobicContact CE-CB 3.74Å; M210-W217 HydrophobicContact CE-CD2 4.37Å; M210-W217 HydrophobicContact CE-CG 4.01Å; M210-W217 HydrophobicContact CG-CB 3.79Å; M210-W217 PolarHBondContact N-O 2.88Å; M210-W217 VanDerWaalsContact N-O 3.16Å; M210-W217 PolarHBondContact O-N 2.96Å; M210-V219 HydrophobicContact CE-CG2 4.14Å; M210-V219 HydrophobicContact CG-CG2 4.13Å; M210-V219 HydrophobicContact SD-CG2 3.92Å; M210-K332 HydrophobicContact CE-CG 4.06Å; M210-K332 HydrophobicContact SD-CD 3.82Å; M210-K332 VanDerWaalsContact SD-CE 3.5Å; M210-K332 HydrophobicContact SD-CG 3.89Å; M210-C336 WeakPolarHBondContact CE-SG 3.34Å
211D95.7Very high91.7Very high113 Ų11356.5 Ų56.560%0.60425%0.253SS*.EExtended strand (participates in β ladder)trans-107.1137.2172.6-62.3-39.8000110.3L215 K332D211-L215 WeakPolarHBondContact CA-O 3.45Å; D211-K332 PolarHBondContact O-NZ 3.22Å; D211-K332 VanDerWaalsContact O-NZ 3.11Å
212Y96.1Very high92.3Very high38 Ų3854.8 Ų54.815%0.14924%0.242CC..EExtended strand (participates in β ladder)trans-152.5131.8175.7179.6-105.8000110.2Y214 L215 W217 T333 C336 D337Y212-Y214 VanDerWaalsContact C-N 3.26Å; Y212-Y214 PolarHBondContact O-N 2.81Å; Y212-L215 PolarHBondContact N-O 2.84Å; Y212-L215 WeakPolarHBondContact O-CB 3.37Å; Y212-L215 PolarHBondContact O-N 2.71Å; Y212-W217 PolarHBondContact O-NE1 3.12Å; Y212-T333 HydrophobicContact CE2-CG2 3.65Å; Y212-C336 HydrophobicContact CD1-CB 3.33Å; Y212-C336 HydrophobicContact CE1-CB 3.46Å; Y212-C336 VanDerWaalsContact CE1-CB 3.46Å; Y212-C336 HydrophobicContact CG-CB 4.22Å; Y212-D337 WeakPolarHBondContact CE1-OD1 3.45Å; Y212-D337 PolarHBondContact OH-OD1 3.28Å; Y212-D337 PolarHBondContact OH-OD2 3.15Å
213R94.8Very high92.7Very high145 Ų14554.2 Ų54.255%0.54724%0.239SC..THydrogen-bonded Turntrans48.145.1-173.4-66.3-178.2-177.1-144.95.2113.1L215 D337R213-L215 PolarHBondContact O-N 3.09Å; R213-L215 VanDerWaalsContact O-N 3.1Å; R213-D337 IonicContact CZ-OD1 3.59Å; R213-D337 IonicContact CZ-OD2 4Å; R213-D337 IonicContact NE-OD1 3.91Å; R213-D337 PolarHBondContact NE-OD1 3.01Å; R213-D337 IonicContact NE-OD2 3.8Å; R213-D337 IonicContact NH1-OD1 3Å; R213-D337 IonicContact NH2-OD1 2.73Å; R213-D337 PolarHBondContact NH2-OD1 2.93Å; R213-D337 IonicContact NH2-OD2 2.97Å; R213-D337 PolarHBondContact NH2-OD2 3.15Å
214Y95.4Very high92.6Very high239 Ų23947.9 Ų47.994%0.93721%0.213SC*.THydrogen-bonded Turntrans58.519.2-177.7-50.2-80.2000114.8Y212Y212-Y214 VanDerWaalsContact C-N 3.26Å; Y212-Y214 PolarHBondContact O-N 2.81Å
215L94.7Very high92.4Very high55 Ų5546.1 Ų46.129%0.28820%0.2SC..EExtended strand (participates in β ladder)trans-115.1143.5176.2-63.4170.5000109.2D211 Y212 R213 L340D211-L215 WeakPolarHBondContact CA-O 3.45Å; Y212-L215 PolarHBondContact N-O 2.84Å; Y212-L215 WeakPolarHBondContact O-CB 3.37Å; Y212-L215 PolarHBondContact O-N 2.71Å; R213-L215 PolarHBondContact O-N 3.09Å; R213-L215 VanDerWaalsContact O-N 3.1Å; L215-L340 HydrophobicContact CD1-CD2 3.94Å
216R94.6Very high91.6Very high161 Ų16147.2 Ų47.261%0.60821%0.206SC*.EExtended strand (participates in β ladder)trans-84.1131.4173-164.5167.4-171.8157.43.8110.4
217W95.4Very high90.6Very high2 Ų245.8 Ų45.81%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-118.1151.6177.9-65.575.5000109.8R169 L171 H209 M210 Y212 C336 L339 L340R169-W217 HydrophobicContact CB-CD2 3.85Å; R169-W217 HydrophobicContact CB-CE3 3.62Å; R169-W217 HydrophobicContact CB-CG 4.5Å; R169-W217 HydrophobicContact CB-CH2 4.21Å; R169-W217 HydrophobicContact CB-CZ2 4.45Å; R169-W217 HydrophobicContact CB-CZ3 3.85Å; R169-W217 HydrophobicContact CG-CH2 4.42Å; L171-W217 HydrophobicContact CD2-CE3 4.31Å; L171-W217 HydrophobicContact CD2-CZ3 4.18Å; L171-W217 HydrophobicContact CG-CE3 4.25Å; H209-W217 WeakPolarHBondContact CA-O 3.47Å; M210-W217 HydrophobicContact CE-CB 3.74Å; M210-W217 HydrophobicContact CE-CD2 4.37Å; M210-W217 HydrophobicContact CE-CG 4.01Å; M210-W217 HydrophobicContact CG-CB 3.79Å; M210-W217 PolarHBondContact N-O 2.88Å; M210-W217 VanDerWaalsContact N-O 3.16Å; M210-W217 PolarHBondContact O-N 2.96Å; Y212-W217 PolarHBondContact O-NE1 3.12Å; W217-C336 VanDerWaalsContact CH2-CA 3.46Å; W217-C336 HydrophobicContact CH2-CB 3.67Å; W217-C336 VanDerWaalsContact CH2-O 3.25Å; W217-C336 WeakPolarHBondContact CH2-O 3.49Å; W217-C336 HydrophobicContact CZ2-CB 3.71Å; W217-C336 HydrophobicContact CZ3-CB 4.06Å; W217-L339 HydrophobicContact CE3-CD2 4.37Å; W217-L339 HydrophobicContact CH2-CB 4.12Å; W217-L339 HydrophobicContact CH2-CD2 4.09Å; W217-L339 HydrophobicContact CH2-CG 4.45Å; W217-L339 HydrophobicContact CZ3-CB 4.09Å; W217-L339 HydrophobicContact CZ3-CD2 3.47Å; W217-L339 VanDerWaalsContact CZ3-CD2 3.47Å; W217-L339 HydrophobicContact CZ3-CG 4.25Å; W217-L340 HydrophobicContact CH2-CD2 4.16Å; W217-L340 HydrophobicContact CH2-CG 3.86Å; W217-L340 HydrophobicContact CZ2-CD1 3.99Å; W217-L340 HydrophobicContact CZ2-CD2 3.81Å; W217-L340 HydrophobicContact CZ2-CG 3.67Å
218Q95.1Very high89.7Confident7 Ų748.3 Ų48.33%0.03321%0.211CC..EExtended strand (participates in β ladder)trans-111.8130.3168.771.7-171.112.700109D165 T168 R169 T170 L171 V207 G208 V220D165-Q218 PolarHBondContact O-NE2 3.26Å; T168-Q218 HydrophobicContact CG2-CG 3.83Å; R169-Q218 WeakPolarHBondContact O-CG 3.31Å; R169-Q218 PolarHBondContact O-N 2.8Å; T170-Q218 CarbonylContact C-O 3.56Å; T170-Q218 VanDerWaalsContact CA-O 3.25Å; T170-Q218 WeakPolarHBondContact CA-O 3.31Å; T170-Q218 HydrophobicContact CG2-CG 3.77Å; T170-Q218 PolarHBondContact OG1-NE2 3.4Å; L171-Q218 PolarHBondContact N-O 2.83Å; V207-Q218 HydrophobicContact CG1-CB 4.12Å; G208-Q218 CarbonylContact O-C 3.6Å; G208-Q218 WeakPolarHBondContact O-CA 3.43Å; Q218-V220 HydrophobicContact CG-CG2 4.46Å
219V95.5Very high88.7Confident1 Ų152 Ų521%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-104.8118.4171.7-175.50000105.9L171 L173 I185 V188 T189 V207 G208 M210L171-V219 HydrophobicContact CB-CG2 4.36Å; L171-V219 HydrophobicContact CD1-CG2 4.44Å; L171-V219 CarbonylContact O-C 3.48Å; L171-V219 WeakPolarHBondContact O-CA 3.34Å; L173-V219 HydrophobicContact CD1-CG1 3.9Å; L173-V219 HydrophobicContact CG-CG1 4.12Å; I185-V219 HydrophobicContact CD1-CG1 4.36Å; I185-V219 HydrophobicContact CG1-CG1 4.22Å; V188-V219 HydrophobicContact CG1-CG2 4.39Å; T189-V219 HydrophobicContact CG2-CB 3.97Å; T189-V219 HydrophobicContact CG2-CG2 3.71Å; V207-V219 CarbonylContact C-O 3.48Å; V207-V219 WeakPolarHBondContact CA-O 3.44Å; G208-V219 PolarHBondContact N-O 2.82Å; G208-V219 PolarHBondContact O-N 3.49Å; M210-V219 HydrophobicContact CE-CG2 4.14Å; M210-V219 HydrophobicContact CG-CG2 4.13Å; M210-V219 HydrophobicContact SD-CG2 3.92Å
220V94.3Very high87.4Confident0 Ų053.4 Ų53.40%025%0.245CC..EExtended strand (participates in β ladder)trans-104.3119.2179.7179.90000107.6I164 T170 L171 L172 L173 L205 F206 V207 Q218 L247I164-V220 HydrophobicContact CD1-CG1 4.45Å; T170-V220 HydrophobicContact CG2-CB 4.36Å; T170-V220 HydrophobicContact CG2-CG2 3.65Å; L171-V220 PolarHBondContact O-N 3.13Å; L172-V220 HydrophobicContact CD1-CB 3.64Å; L172-V220 HydrophobicContact CD1-CG1 3.61Å; L173-V220 PolarHBondContact N-O 3.44Å; L205-V220 HydrophobicContact CB-CG1 4.47Å; L205-V220 HydrophobicContact CD2-CG1 4.17Å; F206-V220 CarbonylContact O-C 3.45Å; F206-V220 VanDerWaalsContact O-CA 3.3Å; F206-V220 WeakPolarHBondContact O-CA 3.31Å; V207-V220 HydrophobicContact CG2-CG2 4.33Å; Q218-V220 HydrophobicContact CG-CG2 4.46Å; V220-L247 HydrophobicContact CG1-CD1 4.49Å; V220-L247 HydrophobicContact CG2-CD1 4.38Å
221D93.1Very high86.2Confident1 Ų162.3 Ų62.31%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-88.7128172.3-168.623000109L173 K181 S182 I185 L205 F206L173-D221 HydrophobicContact CD1-CB 4.35Å; K181-D221 WeakPolarHBondContact CB-OD1 3.45Å; S182-D221 WeakPolarHBondContact CA-OD2 3.35Å; S182-D221 WeakPolarHBondContact CB-OD2 3.26Å; S182-D221 PolarHBondContact OG-OD2 3.02Å; I185-D221 HydrophobicContact CD1-CB 3.88Å; I185-D221 HydrophobicContact CG2-CB 4.27Å; L205-D221 WeakPolarHBondContact CA-O 3.38Å; F206-D221 HydrophobicContact CB-CB 4.26Å; F206-D221 PolarHBondContact N-O 2.82Å; F206-D221 VanDerWaalsContact N-O 3.14Å; F206-D221 PolarHBondContact O-N 3.43Å
222T90.1Very high85.2Confident0 Ų063.6 Ų63.60%029%0.289CS..PPolyproline II helixtrans-101.4147.3176.175.10000111L172 L173 K181 L205 A240 A243L172-T222 HydrophobicContact CD1-CG2 3.36Å; L172-T222 HydrophobicContact CG-CG2 4.01Å; L173-T222 WeakPolarHBondContact O-CG2 3.46Å; L173-T222 PolarHBondContact O-N 3.4Å; L173-T222 PolarHBondContact O-OG1 3Å; K181-T222 VanDerWaalsContact CE-O 3.22Å; K181-T222 WeakPolarHBondContact CE-O 3.39Å; L205-T222 HydrophobicContact CD2-CG2 3.81Å; T222-A240 HydrophobicContact CG2-CB 4.39Å; T222-A243 HydrophobicContact CG2-CB 4.44Å
223P87.6Confident84.4Confident0 Ų063.1 Ų63.10%029%0.287CS..PPolyproline II helixtrans-48.1148.4160.9-25.434.5000111.4T202 I225 I236T202-P223 WeakPolarHBondContact O-CB 3.18Å; P223-I225 PolarHBondContact O-N 2.81Å; P223-I236 HydrophobicContact CB-CG2 3.43Å; P223-I236 VanDerWaalsContact CB-CG2 3.43Å; P223-I236 HydrophobicContact CG-CG2 3.75Å
224G80.4Confident83.9Confident5 Ų560.5 Ų60.55%0.05228%0.284CS..PPolyproline II helixtrans-59.7135.2174.300000110.7G175G175-G224 WeakPolarHBondContact O-CA 3.45Å
225I80.8Confident83.4Confident1 Ų153.4 Ų53.41%0.00527%0.266CS..PPolyproline II helixtrans-95.9133.8175.9-55.8175.6000107G175 P223 A240 L244 L271G175-I225 PolarHBondContact O-N 3.21Å; P223-I225 PolarHBondContact O-N 2.81Å; I225-A240 HydrophobicContact CD1-CB 3.83Å; I225-A240 HydrophobicContact CG1-CB 3.67Å; I225-L244 HydrophobicContact CD1-CD1 3.56Å; I225-L271 HydrophobicContact CB-CD2 4.48Å; I225-L271 HydrophobicContact CG2-CD1 3.94Å; I225-L271 VanDerWaalsContact O-CD2 3.31Å; I225-L271 WeakPolarHBondContact O-CD2 3.17Å
226L73.7Confident83Confident29 Ų2952.4 Ų52.415%0.15226%0.26CS..PPolyproline II helixtrans-102.5158.7169.6-61.8174.6000110.2Y176 P177 F200 H228 E237Y176-L226 HydrophobicContact CD1-CD2 4.05Å; Y176-L226 HydrophobicContact CE1-CD2 4.05Å; P177-L226 HydrophobicContact CG-CD2 3.98Å; F200-L226 HydrophobicContact CZ-CD1 3.92Å; L226-H228 PolarHBondContact O-N 3.17Å; L226-E237 WeakPolarHBondContact CB-OE1 3.41Å
227D69.8Low82.6Confident48 Ų4844.8 Ų44.826%0.25723%0.231SC..SBendtrans-84.764.1-176.3-16025000112.4L271 N274D227-L271 HydrophobicContact CB-CB 4.43Å; D227-L271 HydrophobicContact CB-CD1 4.14Å; D227-N274 PolarHBondContact OD1-ND2 2.73Å; D227-N274 PolarHBondContact OD2-ND2 3.1Å
228H73.4Confident82.2Confident80 Ų8047.5 Ų47.537%0.3725%0.245SC..  trans-103.9149.9171.6-59.3-48.8000110.4L226 R233L226-H228 PolarHBondContact O-N 3.17Å; H228-R233 HydrophobicContact CB-CG 4.16Å; H228-R233 VanDerWaalsContact O-CZ 3.3Å; H228-R233 PolarHBondContact O-NE 3.35Å; H228-R233 PolarHBondContact O-NH2 3.41Å
229P71.9Confident81.9Confident80 Ų8047.6 Ų47.652%0.51925%0.245SC..  trans-53144.5169-24.133.8000111.1E231 E232 R233P229-E231 PolarHBondContact O-N 2.57Å; P229-E232 PolarHBondContact O-N 3.07Å; P229-R233 WeakPolarHBondContact O-CG 3.4Å; P229-R233 PolarHBondContact O-N 2.77Å
230L67.6Low81.6Confident107 Ų10747.6 Ų47.656%0.5625%0.245SC*.G310 helixtrans-52.7-31.8-174-71.3170.4000114I241L230-I241 HydrophobicContact CD2-CD1 3.85Å
231E69.4Low81.4Confident196 Ų19648.4 Ų48.492%0.91625%0.249SC*.G310 helixtrans-75.2-23.4-178.1-61.2-175.6175.900113.6P229P229-E231 PolarHBondContact O-N 2.57Å
232E75.9Confident81.3Confident140 Ų14048.9 Ų48.965%0.65425%0.252SS*.G310 helixtrans-100.21.4-177.2-62.8-178.7170.400112.5P229P229-E232 PolarHBondContact O-N 3.07Å
233R79.3Confident81.3Confident29 Ų2948.9 Ų48.911%0.10925%0.252CS..  trans-73.4143.4-176.6-72.2-175.6-169.5-170.6-3.2112.5H228 P229 E237 M238H228-R233 HydrophobicContact CB-CG 4.16Å; H228-R233 VanDerWaalsContact O-CZ 3.3Å; H228-R233 PolarHBondContact O-NE 3.35Å; H228-R233 PolarHBondContact O-NH2 3.41Å; P229-R233 WeakPolarHBondContact O-CG 3.4Å; P229-R233 PolarHBondContact O-N 2.77Å; R233-E237 WeakPolarHBondContact CA-OE2 3.4Å; R233-E237 HydrophobicContact CB-CB 4.18Å; R233-E237 WeakPolarHBondContact CB-OE2 3.44Å; R233-M238 HydrophobicContact CB-CG 4.28Å; R233-M238 HydrophobicContact CB-SD 4.14Å
234N84.3Confident81.4Confident89 Ų8948.9 Ų48.948%0.47625%0.252SS..  trans-71.3159.5178.7-71.4-49.2000111.8I236 E237 M238N234-I236 PolarHBondContact O-N 3.21Å; N234-I236 VanDerWaalsContact O-N 3.09Å; N234-E237 PolarHBondContact N-OE2 3.03Å; N234-E237 VanDerWaalsContact N-OE2 3.13Å; N234-E237 PolarHBondContact O-N 3.32Å; N234-M238 WeakPolarHBondContact O-CG 3.26Å; N234-M238 PolarHBondContact O-N 3.1Å
235T85.3Confident81.8Confident91 Ų9150.9 Ų50.956%0.55827%0.269SS*.Hα-helixtrans-56.2-29.9175.856.50000113V85 Q239V85-T235 WeakPolarHBondContact CG1-O 3.43Å; T235-Q239 WeakPolarHBondContact O-CG 3.19Å; T235-Q239 PolarHBondContact O-N 2.69Å
236I86.2Confident82.3Confident34 Ų3453.7 Ų53.717%0.17428%0.281CS..Hα-helixtrans-69.3-44.5176.6-61.5175000111.1F200 K203 P223 N234 Q239F200-I236 HydrophobicContact CD1-CD1 4.39Å; F200-I236 HydrophobicContact CD1-CG2 4.4Å; K203-I236 HydrophobicContact CB-CD1 4.26Å; K203-I236 HydrophobicContact CG-CD1 4.16Å; P223-I236 HydrophobicContact CB-CG2 3.43Å; P223-I236 VanDerWaalsContact CB-CG2 3.43Å; P223-I236 HydrophobicContact CG-CG2 3.75Å; N234-I236 PolarHBondContact O-N 3.21Å; N234-I236 VanDerWaalsContact O-N 3.09Å; I236-Q239 WeakPolarHBondContact O-CB 3.47Å; I236-Q239 PolarHBondContact O-N 3.31Å
237E85.3Confident83.2Confident0 Ų052.3 Ų52.30%027%0.274CS..Hα-helixtrans-70.8-36.6179.6-66.5170165.800111.2L226 R233 N234 Q239 A240 I241L226-E237 WeakPolarHBondContact CB-OE1 3.41Å; R233-E237 WeakPolarHBondContact CA-OE2 3.4Å; R233-E237 HydrophobicContact CB-CB 4.18Å; R233-E237 WeakPolarHBondContact CB-OE2 3.44Å; N234-E237 PolarHBondContact N-OE2 3.03Å; N234-E237 VanDerWaalsContact N-OE2 3.13Å; N234-E237 PolarHBondContact O-N 3.32Å; E237-Q239 PolarHBondContact O-N 3.45Å; E237-A240 WeakPolarHBondContact O-CB 3.27Å; E237-A240 PolarHBondContact O-N 3.36Å; E237-I241 WeakPolarHBondContact O-CG1 3.3Å; E237-I241 PolarHBondContact O-N 2.9Å
238M87.6Confident84.1Confident59 Ų5958 Ų5829%0.29129%0.292SS..Hα-helixtrans-60.6-28.5174.3-71.5-59.7-67.500112.7V85 R233 N234 I241 T242V85-M238 HydrophobicContact CG1-CB 3.67Å; V85-M238 HydrophobicContact CG2-CB 4.02Å; R233-M238 HydrophobicContact CB-CG 4.28Å; R233-M238 HydrophobicContact CB-SD 4.14Å; N234-M238 WeakPolarHBondContact O-CG 3.26Å; N234-M238 PolarHBondContact O-N 3.1Å; M238-I241 HydrophobicContact SD-CD1 3.74Å; M238-T242 WeakPolarHBondContact O-CB 3.31Å; M238-T242 PolarHBondContact O-N 3.48Å; M238-T242 PolarHBondContact O-OG1 3.41Å
239Q89.6Confident84.9Confident10 Ų1054.3 Ų54.35%0.04728%0.275CS..Hα-helixtrans-66.2-42.2171.6-66.2171.541.800112L82 V85 L86 T235 I236 E237 I241 T242 A243L82-Q239 HydrophobicContact CD1-CB 4.2Å; L82-Q239 HydrophobicContact CD1-CG 3.83Å; V85-Q239 HydrophobicContact CG1-CG 4.31Å; L86-Q239 HydrophobicContact CD2-CG 4.34Å; L86-Q239 VanDerWaalsContact CD2-NE2 3.3Å; T235-Q239 WeakPolarHBondContact O-CG 3.19Å; T235-Q239 PolarHBondContact O-N 2.69Å; I236-Q239 WeakPolarHBondContact O-CB 3.47Å; I236-Q239 PolarHBondContact O-N 3.31Å; E237-Q239 PolarHBondContact O-N 3.45Å; Q239-I241 VanDerWaalsContact C-N 3.34Å; Q239-T242 PolarHBondContact O-N 2.89Å; Q239-A243 PolarHBondContact O-N 3Å
240A89.1Confident86Confident0 Ų050.6 Ų50.60%025%0.251CS..Hα-helixtrans-64.1-41.2177.800000110.9T222 I225 E237 A243 L244T222-A240 HydrophobicContact CG2-CB 4.39Å; I225-A240 HydrophobicContact CD1-CB 3.83Å; I225-A240 HydrophobicContact CG1-CB 3.67Å; E237-A240 WeakPolarHBondContact O-CB 3.27Å; E237-A240 PolarHBondContact O-N 3.36Å; A240-A243 PolarHBondContact O-N 3.25Å; A240-L244 WeakPolarHBondContact O-CB 3.4Å; A240-L244 WeakPolarHBondContact O-CG 3.39Å; A240-L244 PolarHBondContact O-N 3.17Å
241I89.1Confident87.3Confident17 Ų1745.5 Ų45.59%0.08723%0.225CC..Hα-helixtrans-64.9-42175.3-61.8163.2000111.2L230 E237 M238 Q239 A243 L244 A245 L278L230-I241 HydrophobicContact CD2-CD1 3.85Å; E237-I241 WeakPolarHBondContact O-CG1 3.3Å; E237-I241 PolarHBondContact O-N 2.9Å; M238-I241 HydrophobicContact SD-CD1 3.74Å; Q239-I241 VanDerWaalsContact C-N 3.34Å; I241-A243 VanDerWaalsContact C-N 3.31Å; I241-A243 PolarHBondContact O-N 2.89Å; I241-L244 CarbonylContact O-C 3.57Å; I241-L244 PolarHBondContact O-N 2.92Å; I241-A245 WeakPolarHBondContact O-CB 3.47Å; I241-A245 PolarHBondContact O-N 3.28Å; I241-L278 HydrophobicContact CG2-CD1 4.3Å
242T90.3Very high88.6Confident11 Ų1136.2 Ų36.27%0.06718%0.181CC..Hα-helixtrans-61.5-41.9177.9-580000111.2F78 D81 L82 M238 Q239 H246F78-T242 HydrophobicContact CD2-CG2 4.2Å; F78-T242 HydrophobicContact CE2-CG2 4.45Å; D81-T242 HydrophobicContact CB-CG2 3.8Å; L82-T242 HydrophobicContact CB-CG2 4.23Å; M238-T242 WeakPolarHBondContact O-CB 3.31Å; M238-T242 PolarHBondContact O-N 3.48Å; M238-T242 PolarHBondContact O-OG1 3.41Å; Q239-T242 PolarHBondContact O-N 2.89Å; T242-H246 PolarHBondContact O-CD2 2.95Å; T242-H246 PolarHBondContact O-N 2.84Å; T242-H246 VanDerWaalsContact O-N 3.17Å
243A91.4Very high89.5Confident0 Ų029.6 Ų29.60%015%0.15CC..Hα-helixtrans-64-46.7173.100000111.6F78 L172 L205 T222 Q239 A240 I241 A245 L247F78-A243 HydrophobicContact CE2-CB 4.17Å; L172-A243 HydrophobicContact CD1-CB 4.18Å; L172-A243 HydrophobicContact CD2-CB 4.4Å; L205-A243 HydrophobicContact CD1-CB 4.05Å; L205-A243 HydrophobicContact CD2-CB 3.95Å; T222-A243 HydrophobicContact CG2-CB 4.44Å; Q239-A243 PolarHBondContact O-N 3Å; A240-A243 PolarHBondContact O-N 3.25Å; I241-A243 VanDerWaalsContact C-N 3.31Å; I241-A243 PolarHBondContact O-N 2.89Å; A243-A245 VanDerWaalsContact C-N 3.32Å; A243-A245 PolarHBondContact O-N 3.46Å; A243-L247 HydrophobicContact CB-CD1 3.85Å; A243-L247 HydrophobicContact CB-CG 4.48Å; A243-L247 WeakPolarHBondContact O-CB 3.37Å; A243-L247 VanDerWaalsContact O-CG 3.25Å; A243-L247 WeakPolarHBondContact O-CG 3.39Å; A243-L247 PolarHBondContact O-N 3.35Å
244L89.4Confident90.2Very high0 Ų028.4 Ų28.40%015%0.146CC..Hα-helixtrans-62.8-32.6177.4-86.2174.5000113.7L172 C174 I225 A240 I241 V251 F279 K282L172-L244 HydrophobicContact CD2-CB 4.45Å; L172-L244 HydrophobicContact CD2-CD2 3.6Å; L172-L244 HydrophobicContact CD2-CG 3.95Å; L172-L244 HydrophobicContact CG-CD2 4.45Å; C174-L244 VanDerWaalsContact SG-CD2 3.51Å; I225-L244 HydrophobicContact CD1-CD1 3.56Å; A240-L244 WeakPolarHBondContact O-CB 3.4Å; A240-L244 WeakPolarHBondContact O-CG 3.39Å; A240-L244 PolarHBondContact O-N 3.17Å; I241-L244 CarbonylContact O-C 3.57Å; I241-L244 PolarHBondContact O-N 2.92Å; L244-V251 HydrophobicContact CD2-CG1 4.16Å; L244-V251 HydrophobicContact CD2-CG2 4.11Å; L244-F279 HydrophobicContact CD1-CE1 4.37Å; L244-F279 HydrophobicContact CD2-CD1 4.16Å; L244-F279 HydrophobicContact CD2-CE1 3.62Å; L244-K282 PolarHBondContact O-NZ 2.86Å
245A89.5Confident90.6Very high48 Ų4824.2 Ų24.240%0.39712%0.124SC..Hα-helixtrans-76.7-53.9179.400000110.8I241 A243 K282I241-A245 WeakPolarHBondContact O-CB 3.47Å; I241-A245 PolarHBondContact O-N 3.28Å; A243-A245 VanDerWaalsContact C-N 3.32Å; A243-A245 PolarHBondContact O-N 3.46Å; A245-K282 PolarHBondContact O-NZ 3.44Å
246H90.4Very high91Very high59 Ų5919.9 Ų19.927%0.27310%0.097SC..Hα-helixtrans-90.9-25.3-166.4-68.7-71.8000115.5F78 D81 T242F78-H246 HydrophobicContact CB-CB 3.71Å; F78-H246 HydrophobicContact CD2-CB 4.04Å; F78-H246 HydrophobicContact CG-CB 4.33Å; D81-H246 IonicContact OD2-CD2 3.71Å; D81-H246 IonicContact OD2-CE1 2.8Å; D81-H246 PolarHBondContact OD2-CE1 2.97Å; D81-H246 IonicContact OD2-NE2 3.98Å; D81-H246 PolarHBondContact OD2-NE2 3.49Å; T242-H246 PolarHBondContact O-CD2 2.95Å; T242-H246 PolarHBondContact O-N 2.84Å; T242-H246 VanDerWaalsContact O-N 3.17Å
247L91.6Very high91.1Very high0 Ų018.3 Ų18.30%09%0.089CC..  trans-77.1130.4-177.8-60.9178.1000110.8F78 I164 P166 T170 L172 V220 A243 A249 K282F78-L247 HydrophobicContact CD1-CD2 4.26Å; F78-L247 HydrophobicContact CD2-CD2 4.06Å; F78-L247 HydrophobicContact CD2-CG 4.23Å; F78-L247 HydrophobicContact CE1-CD2 4.31Å; F78-L247 HydrophobicContact CE2-CD1 4.34Å; F78-L247 HydrophobicContact CE2-CD2 4.12Å; F78-L247 HydrophobicContact CE2-CG 4.12Å; F78-L247 HydrophobicContact CG-CD2 4.13Å; F78-L247 HydrophobicContact CZ-CD2 4.24Å; I164-L247 HydrophobicContact CG2-CD1 4.47Å; I164-L247 HydrophobicContact CG2-CD2 3.86Å; P166-L247 HydrophobicContact CB-CD2 4.07Å; T170-L247 HydrophobicContact CG2-CD1 4.41Å; L172-L247 HydrophobicContact CD1-CD1 4.24Å; V220-L247 HydrophobicContact CG1-CD1 4.49Å; V220-L247 HydrophobicContact CG2-CD1 4.38Å; A243-L247 HydrophobicContact CB-CD1 3.85Å; A243-L247 HydrophobicContact CB-CG 4.48Å; A243-L247 WeakPolarHBondContact O-CB 3.37Å; A243-L247 VanDerWaalsContact O-CG 3.25Å; A243-L247 WeakPolarHBondContact O-CG 3.39Å; A243-L247 PolarHBondContact O-N 3.35Å; L247-A249 VanDerWaalsContact C-N 3.31Å; L247-A249 HydrophobicContact CB-CB 4.39Å; L247-A249 PolarHBondContact O-N 3.15Å; L247-A249 VanDerWaalsContact O-N 3.1Å; L247-K282 PolarHBondContact O-NZ 3.39Å
248R88.8Confident91.3Very high169 Ų16918.8 Ų18.864%0.6389%0.093SC*.  trans-84.378.6171.5-65.9-178.7179.7169.8-1109.2
249A91.9Very high91.3Very high2 Ų219.7 Ų19.72%0.01710%0.096CC..EExtended strand (participates in β ladder)trans-118.9162.3-171.900000112.4T170 L172 L247 P283T170-A249 HydrophobicContact CG2-CB 3.82Å; T170-A249 CarbonylContact O-C 3.58Å; T170-A249 WeakPolarHBondContact O-CA 3.34Å; T170-A249 VanDerWaalsContact O-CB 3.3Å; T170-A249 WeakPolarHBondContact O-CB 3.29Å; L172-A249 HydrophobicContact CB-CB 3.87Å; L247-A249 VanDerWaalsContact C-N 3.31Å; L247-A249 HydrophobicContact CB-CB 4.39Å; L247-A249 PolarHBondContact O-N 3.15Å; L247-A249 VanDerWaalsContact O-N 3.1Å; A249-P283 WeakPolarHBondContact O-CD 3.44Å
250A94.7Very high91.2Very high2 Ų225 Ų252%0.01712%0.121CC..EExtended strand (participates in β ladder)trans-80.7131.2153.300000108T170 L171 L172 P283 L339T170-A250 PolarHBondContact O-N 3.32Å; L171-A250 CarbonylContact C-O 3.55Å; L171-A250 WeakPolarHBondContact CA-O 3.27Å; L171-A250 HydrophobicContact CD2-CB 3.49Å; L171-A250 VanDerWaalsContact CD2-CB 3.49Å; L172-A250 PolarHBondContact N-O 3.48Å; A250-P283 CarbonylContact C-O 3.58Å; A250-P283 WeakPolarHBondContact CA-O 3.38Å; A250-P283 HydrophobicContact CB-CB 4.41Å; A250-P283 HydrophobicContact CB-CG 3.88Å; A250-L339 HydrophobicContact CB-CB 4.09Å; A250-L339 HydrophobicContact CB-CD1 4.45Å; A250-L339 HydrophobicContact CB-CD2 4.41Å
251V94.9Very high91Very high0 Ų025.4 Ų25.40%012%0.124CC..EExtended strand (participates in β ladder)trans-96.8126.5-180-177.70000108.7C174 L244 F279 K282 P283 L284 I285C174-V251 HydrophobicContact CB-CG1 4.43Å; L244-V251 HydrophobicContact CD2-CG1 4.16Å; L244-V251 HydrophobicContact CD2-CG2 4.11Å; V251-F279 HydrophobicContact CB-CD1 4.42Å; V251-F279 HydrophobicContact CB-CE1 4.48Å; V251-F279 HydrophobicContact CG1-CD1 4.13Å; V251-F279 HydrophobicContact CG1-CE1 3.71Å; V251-F279 HydrophobicContact CG1-CZ 4.12Å; V251-F279 HydrophobicContact CG2-CD1 4.12Å; V251-F279 HydrophobicContact CG2-CE1 4.41Å; V251-K282 HydrophobicContact CG2-CB 4.29Å; V251-K282 HydrophobicContact CG2-CD 4.16Å; V251-P283 PolarHBondContact N-O 3.19Å; V251-L284 HydrophobicContact CB-CD1 4.06Å; V251-L284 HydrophobicContact CG1-CD1 4.05Å; V251-L284 WeakPolarHBondContact O-CA 3.33Å; V251-I285 PolarHBondContact O-N 3.18Å
252L95.2Very high90.9Very high1 Ų127.8 Ų27.81%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-105.7105.9173.9-72.8159.4000107.1L171 L172 L173 C174 F184 I285 V287 V331 A335L171-L252 HydrophobicContact CB-CD1 4.1Å; L171-L252 HydrophobicContact CD1-CD1 4.26Å; L172-L252 PolarHBondContact O-N 3.14Å; L173-L252 HydrophobicContact CD2-CB 3.87Å; L173-L252 HydrophobicContact CD2-CD1 3.64Å; L173-L252 HydrophobicContact CD2-CG 4.41Å; C174-L252 PolarHBondContact N-O 3.19Å; F184-L252 HydrophobicContact CE1-CD1 4.26Å; L252-I285 WeakPolarHBondContact CA-O 3.42Å; L252-I285 HydrophobicContact CD2-CB 4.04Å; L252-I285 HydrophobicContact CD2-CG2 4.21Å; L252-V287 HydrophobicContact CB-CG2 4.49Å; L252-V287 HydrophobicContact CD2-CG2 3.66Å; L252-V331 HydrophobicContact CD2-CG1 3.35Å; L252-A335 HydrophobicContact CD2-CB 4.16Å
253Y94.8Very high90.8Very high1 Ų129.8 Ų29.80%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-90.4109.8176.1-169.1-103.6000109.2C174 M255 Q268 F272 I275 I285 V286 V287C174-Y253 HydrophobicContact CB-CD2 4.47Å; C174-Y253 CarbonylContact O-C 3.54Å; C174-Y253 WeakPolarHBondContact O-CA 3.33Å; Y253-M255 HydrophobicContact CD1-CG 3.61Å; Y253-M255 HydrophobicContact CD1-SD 4.09Å; Y253-M255 HydrophobicContact CE1-CG 3.49Å; Y253-M255 VanDerWaalsContact CE1-CG 3.49Å; Y253-M255 HydrophobicContact CE1-SD 3.96Å; Y253-Q268 PolarHBondContact OH-O 3.14Å; Y253-F272 HydrophobicContact CD1-CB 4.32Å; Y253-F272 AromaticContact CD1-CD2 3.72Å; Y253-F272 HydrophobicContact CD1-CD2 3.72Å; Y253-F272 HydrophobicContact CD1-CG 4.35Å; Y253-F272 HydrophobicContact CD2-CD2 4.17Å; Y253-F272 HydrophobicContact CE1-CB 3.69Å; Y253-F272 AromaticContact CE1-CD2 3.97Å; Y253-F272 HydrophobicContact CE1-CD2 3.97Å; Y253-F272 HydrophobicContact CE1-CG 4.2Å; Y253-F272 HydrophobicContact CE2-CB 4.41Å; Y253-F272 HydrophobicContact CE2-CD2 4.41Å; Y253-F272 AromaticContact CG-CD2 3.82Å; Y253-F272 HydrophobicContact CG-CD2 3.82Å; Y253-F272 HydrophobicContact CG-CE2 4.47Å; Y253-F272 PolarHBondContact OH-N 3.09Å; Y253-I275 HydrophobicContact CD2-CD1 4.12Å; Y253-I275 HydrophobicContact CE2-CD1 3.71Å; Y253-I285 PolarHBondContact N-O 3Å; Y253-V286 WeakPolarHBondContact O-CA 3.42Å; Y253-V287 PolarHBondContact O-N 3.42Å
254V94.4Very high90.7Very high3 Ų332.4 Ų32.42%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-92.5118.3-175.9-171.90000109.4C174 V179 K181 V287 N289C174-V254 PolarHBondContact O-N 2.96Å; V179-V254 HydrophobicContact CB-CG1 4.16Å; V179-V254 HydrophobicContact CG2-CB 3.85Å; V179-V254 HydrophobicContact CG2-CG1 3.75Å; K181-V254 HydrophobicContact CG-CB 4.12Å; K181-V254 HydrophobicContact CG-CG2 4.06Å; V254-V287 CarbonylContact C-O 3.6Å; V254-V287 WeakPolarHBondContact CA-O 3.43Å; V254-V287 HydrophobicContact CG2-CB 4.4Å; V254-N289 HydrophobicContact CG1-CB 3.72Å
255M93Very high90.7Very high1 Ų132.5 Ų32.51%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-109.9150.5174.7-65.5-17773.400110.1Y253 L265 Q268 V286 V287 N289 F307Y253-M255 HydrophobicContact CD1-CG 3.61Å; Y253-M255 HydrophobicContact CD1-SD 4.09Å; Y253-M255 HydrophobicContact CE1-CG 3.49Å; Y253-M255 VanDerWaalsContact CE1-CG 3.49Å; Y253-M255 HydrophobicContact CE1-SD 3.96Å; M255-L265 HydrophobicContact CE-CD2 4.01Å; M255-Q268 VanDerWaalsContact CA-OE1 3.31Å; M255-Q268 HydrophobicContact CE-CB 3.76Å; M255-V286 HydrophobicContact CG-CG1 4.2Å; M255-V286 HydrophobicContact SD-CG1 3.7Å; M255-V287 PolarHBondContact N-O 3.42Å; M255-N289 PolarHBondContact O-N 3.3Å; M255-F307 HydrophobicContact CE-CE1 4.36Å; M255-F307 HydrophobicContact SD-CE1 4.11Å
256D92.9Very high90.7Very high0 Ų036.1 Ų36.10%019%0.186CC..  trans-114.6101.1176.3179.73.9000109.7V179 S258 E259 Q260 C261 Q268 K290V179-D256 HydrophobicContact CB-CB 4.25Å; V179-D256 HydrophobicContact CG1-CB 4.07Å; D256-S258 PolarHBondContact O-N 3.28Å; D256-S258 VanDerWaalsContact OD1-CB 3.31Å; D256-S258 WeakPolarHBondContact OD1-CB 3.48Å; D256-S258 PolarHBondContact OD1-N 3.37Å; D256-S258 PolarHBondContact OD1-OG 3.26Å; D256-S258 PolarHBondContact OD2-OG 3.22Å; D256-E259 PolarHBondContact O-N 3.44Å; D256-Q260 PolarHBondContact OD2-N 3.46Å; D256-C261 HydrophobicContact CB-CB 4.25Å; D256-C261 PolarHBondContact OD2-N 3.38Å; D256-C261 VanDerWaalsContact OD2-N 3.1Å; D256-Q268 PolarHBondContact O-NE2 3.03Å; D256-Q268 VanDerWaalsContact O-NE2 3.07Å; D256-K290 WeakPolarHBondContact OD2-CD 3.39Å; D256-K290 WeakPolarHBondContact OD2-CE 3.48Å; D256-K290 IonicContact OD2-NZ 2.76Å; D256-K290 PolarHBondContact OD2-NZ 2.76Å
257P90.1Very high90.6Very high1 Ų136.6 Ų36.61%0.00619%0.188CC..THydrogen-bonded Turntrans-69.3-13.4176.9-13.228.6000114.4E259 A288 N289 L299 F307P257-E259 VanDerWaalsContact C-N 3.31Å; P257-A288 HydrophobicContact CG-CB 3.82Å; P257-N289 WeakPolarHBondContact CD-O 3.45Å; P257-L299 HydrophobicContact CB-CD1 3.93Å; P257-L299 HydrophobicContact CB-CD2 4.27Å; P257-F307 HydrophobicContact CG-CZ 4.3Å
258S88.2Confident90.5Very high11 Ų1136.6 Ų36.68%0.07719%0.188CC..THydrogen-bonded Turntrans-80.4-13.9178.376.80000113.4D256 Q260D256-S258 PolarHBondContact O-N 3.28Å; D256-S258 VanDerWaalsContact OD1-CB 3.31Å; D256-S258 WeakPolarHBondContact OD1-CB 3.48Å; D256-S258 PolarHBondContact OD1-N 3.37Å; D256-S258 PolarHBondContact OD1-OG 3.26Å; D256-S258 PolarHBondContact OD2-OG 3.22Å; S258-Q260 PolarHBondContact O-N 2.71Å; S258-Q260 VanDerWaalsContact O-N 3.17Å; S258-Q260 WeakPolarHBondContact OG-CB 3.48Å; S258-Q260 VanDerWaalsContact OG-CG 3.32Å; S258-Q260 WeakPolarHBondContact OG-CG 3.46Å; S258-Q260 PolarHBondContact OG-N 3.5Å
259E87.8Confident90.6Very high78 Ų7830.6 Ų30.636%0.36417%0.169SC..  trans6111.1-174.3-55.6-176.315100114.4D256 P257 C261 G262 L265D256-E259 PolarHBondContact O-N 3.44Å; P257-E259 VanDerWaalsContact C-N 3.31Å; E259-C261 PolarHBondContact O-N 3.02Å; E259-G262 PolarHBondContact O-N 2.94Å; E259-L265 HydrophobicContact CG-CG 4.44Å; E259-L265 PolarHBondContact OE1-N 2.7Å
260Q87.2Confident90.4Very high121 Ų12135.3 Ų35.357%0.56519%0.19SC*.THydrogen-bonded Turntrans-67.2-14.1176.5-71-178.2-9.100113.5D256 S258 G262D256-Q260 PolarHBondContact OD2-N 3.46Å; S258-Q260 PolarHBondContact O-N 2.71Å; S258-Q260 VanDerWaalsContact O-N 3.17Å; S258-Q260 WeakPolarHBondContact OG-CB 3.48Å; S258-Q260 VanDerWaalsContact OG-CG 3.32Å; S258-Q260 WeakPolarHBondContact OG-CG 3.46Å; S258-Q260 PolarHBondContact OG-N 3.5Å; Q260-G262 PolarHBondContact O-N 3.41Å
261C85.8Confident90.1Very high9 Ų935.2 Ų35.26%0.06119%0.19CC..THydrogen-bonded Turntrans-69.5-9.3173.764.20000113.8N178 V179 D256 E259N178-C261 HydrophobicContact CB-CB 4.3Å; V179-C261 HydrophobicContact CG1-CB 3.91Å; D256-C261 HydrophobicContact CB-CB 4.25Å; D256-C261 PolarHBondContact OD2-N 3.38Å; D256-C261 VanDerWaalsContact OD2-N 3.1Å; E259-C261 PolarHBondContact O-N 3.02Å
262G85.9Confident89.9Confident66 Ų6635.3 Ų35.368%0.6819%0.19SC*.SBendtrans89.910.4179.900000114.5E259 Q260E259-G262 PolarHBondContact O-N 2.94Å; Q260-G262 PolarHBondContact O-N 3.41Å
263H87.9Confident89.5Confident54 Ų5438.5 Ų38.525%0.2521%0.207CC..SBendtrans-133.6142.8-179.5-70.2-73.3000110.2Y176 E267 Q268Y176-H263 HydrophobicContact CD1-CB 4.24Å; Y176-H263 AromaticContact CD1-CD2 3.27Å; Y176-H263 WeakPolarHBondContact CD1-CD2 3.28Å; Y176-H263 AromaticContact CD1-CG 3.64Å; Y176-H263 AromaticContact CD1-NE2 3.62Å; Y176-H263 HydrophobicContact CE1-CB 4.28Å; Y176-H263 AromaticContact CE1-CD2 3.65Å; Y176-H263 AromaticContact CE1-CE1 3.79Å; Y176-H263 AromaticContact CE1-CG 3.62Å; Y176-H263 AromaticContact CE1-ND1 3.71Å; Y176-H263 AromaticContact CE1-NE2 3.74Å; H263-E267 WeakPolarHBondContact CB-OE2 3.47Å; H263-E267 IonicContact CE1-OE2 2.76Å; H263-E267 IonicContact CG-OE2 3.21Å; H263-E267 IonicContact ND1-OE2 3.88Å; H263-E267 PolarHBondContact ND1-OE2 3.38Å; H263-Q268 PolarHBondContact O-NE2 3.42Å
264T90.9Very high89.2Confident55 Ų5542.9 Ų42.934%0.33723%0.23SC..  trans-71.2159.8179.5640000111.5Q266 E267 Q268T264-Q266 PolarHBondContact O-N 3.18Å; T264-E267 PolarHBondContact O-N 3.25Å; T264-E267 WeakPolarHBondContact OG1-CG 3.37Å; T264-E267 PolarHBondContact OG1-N 3Å; T264-E267 PolarHBondContact OG1-OE1 3.38Å; T264-Q268 WeakPolarHBondContact O-CG 3.18Å; T264-Q268 PolarHBondContact O-N 3.45Å; T264-Q268 VanDerWaalsContact O-N 3.1Å
265L88.8Confident88.8Confident1 Ų142.8 Ų42.81%0.00523%0.23CC..Hα-helixtrans-61.5-30.3174.7-84.6170.6000113.5M255 E259 Q268 L269 L299 N303 F307M255-L265 HydrophobicContact CE-CD2 4.01Å; E259-L265 HydrophobicContact CG-CG 4.44Å; E259-L265 PolarHBondContact OE1-N 2.7Å; L265-Q268 PolarHBondContact O-N 2.78Å; L265-L269 PolarHBondContact O-N 2.87Å; L265-L269 VanDerWaalsContact O-N 3.1Å; L265-L299 HydrophobicContact CD1-CD1 4.44Å; L265-N303 HydrophobicContact CD1-CB 3.92Å; L265-F307 HydrophobicContact CD2-CE2 4.47Å; L265-F307 HydrophobicContact CD2-CZ 3.99Å
266Q88.6Confident88.5Confident125 Ų12547.8 Ų47.858%0.58425%0.249SC*.Hα-helixtrans-66.5-47.6175.5-83.8171.1-12.600111.7T264 Q268 L269 E270T264-Q266 PolarHBondContact O-N 3.18Å; Q266-Q268 VanDerWaalsContact C-N 3.27Å; Q266-Q268 PolarHBondContact O-N 3.23Å; Q266-L269 CarbonylContact O-C 3.57Å; Q266-L269 WeakPolarHBondContact O-CA 3.41Å; Q266-L269 WeakPolarHBondContact O-CB 3.41Å; Q266-L269 PolarHBondContact O-N 2.78Å; Q266-E270 WeakPolarHBondContact O-CG 3.29Å; Q266-E270 PolarHBondContact O-N 2.9Å
267E88.9Confident88.3Confident69 Ų6952.5 Ų52.532%0.32228%0.279SS..Hα-helixtrans-59.1-40.7174.7-71.4165.5-149.600111.4Y176 H263 T264 L269 E270 L271Y176-E267 PolarHBondContact OH-O 2.7Å; H263-E267 WeakPolarHBondContact CB-OE2 3.47Å; H263-E267 IonicContact CE1-OE2 2.76Å; H263-E267 IonicContact CG-OE2 3.21Å; H263-E267 IonicContact ND1-OE2 3.88Å; H263-E267 PolarHBondContact ND1-OE2 3.38Å; T264-E267 PolarHBondContact O-N 3.25Å; T264-E267 WeakPolarHBondContact OG1-CG 3.37Å; T264-E267 PolarHBondContact OG1-N 3Å; T264-E267 PolarHBondContact OG1-OE1 3.38Å; E267-L269 PolarHBondContact O-N 2.81Å; E267-E270 PolarHBondContact O-N 3.29Å; E267-L271 PolarHBondContact O-N 3.43Å
268Q90.4Very high88Confident0 Ų055 Ų550%029%0.293CS..Hα-helixtrans-59.6-34.8175-69.2-177.257.900113.2Y176 Y253 M255 D256 H263 T264 L265 Q266 F272Y176-Q268 HydrophobicContact CD2-CB 4.3Å; Y176-Q268 HydrophobicContact CD2-CG 3.73Å; Y176-Q268 HydrophobicContact CE2-CB 4.35Å; Y176-Q268 HydrophobicContact CE2-CG 4.08Å; Y176-Q268 HydrophobicContact CG-CG 4.46Å; Y253-Q268 PolarHBondContact OH-O 3.14Å; M255-Q268 VanDerWaalsContact CA-OE1 3.31Å; M255-Q268 HydrophobicContact CE-CB 3.76Å; D256-Q268 PolarHBondContact O-NE2 3.03Å; D256-Q268 VanDerWaalsContact O-NE2 3.07Å; H263-Q268 PolarHBondContact O-NE2 3.42Å; T264-Q268 WeakPolarHBondContact O-CG 3.18Å; T264-Q268 PolarHBondContact O-N 3.45Å; T264-Q268 VanDerWaalsContact O-N 3.1Å; L265-Q268 PolarHBondContact O-N 2.78Å; Q266-Q268 VanDerWaalsContact C-N 3.27Å; Q266-Q268 PolarHBondContact O-N 3.23Å; Q268-F272 PolarHBondContact O-N 2.99Å
269L89.7Confident87.8Confident43 Ų4355.1 Ų55.123%0.22529%0.292CS..Hα-helixtrans-80.1-36.2176.4-179.9132.7000112.7L265 Q266 E267 F272 N273 I306L265-L269 PolarHBondContact O-N 2.87Å; L265-L269 VanDerWaalsContact O-N 3.1Å; Q266-L269 CarbonylContact O-C 3.57Å; Q266-L269 WeakPolarHBondContact O-CA 3.41Å; Q266-L269 WeakPolarHBondContact O-CB 3.41Å; Q266-L269 PolarHBondContact O-N 2.78Å; E267-L269 PolarHBondContact O-N 2.81Å; L269-F272 WeakPolarHBondContact O-CB 3.44Å; L269-F272 PolarHBondContact O-N 3.42Å; L269-N273 VanDerWaalsContact CD2-ND2 3.27Å; L269-N273 WeakPolarHBondContact CD2-ND2 3.38Å; L269-N273 PolarHBondContact O-N 2.83Å; L269-N273 PolarHBondContact O-ND2 3.44Å; L269-I306 HydrophobicContact CD1-CB 4.34Å; L269-I306 HydrophobicContact CD1-CG1 4.4Å; L269-I306 HydrophobicContact CD1-CG2 3.29Å
270E89.4Confident87.6Confident101 Ų10154.3 Ų54.347%0.47230%0.299SS..Hα-helixtrans-59.5-48.7173.6-74.3174.7177.700110.9Q266 E267 F272 N273 N274Q266-E270 WeakPolarHBondContact O-CG 3.29Å; Q266-E270 PolarHBondContact O-N 2.9Å; E267-E270 PolarHBondContact O-N 3.29Å; E270-F272 VanDerWaalsContact C-N 3.28Å; E270-F272 PolarHBondContact O-N 3.32Å; E270-N273 PolarHBondContact O-N 3.15Å; E270-N274 WeakPolarHBondContact O-CB 3.5Å; E270-N274 VanDerWaalsContact O-CG 3.28Å; E270-N274 PolarHBondContact O-N 2.85Å; E270-N274 PolarHBondContact O-ND2 3.08Å
271L87.9Confident87.5Confident0 Ų055.8 Ų55.80%031%0.31CS..Hα-helixtrans-56.6-45.4174.2177.664.7000111.2Y176 I225 D227 E267 N273 N274 I275Y176-L271 HydrophobicContact CD2-CB 4.4Å; Y176-L271 HydrophobicContact CD2-CD2 3.49Å; Y176-L271 VanDerWaalsContact CD2-CD2 3.49Å; Y176-L271 HydrophobicContact CE2-CB 3.47Å; Y176-L271 VanDerWaalsContact CE2-CB 3.47Å; Y176-L271 HydrophobicContact CE2-CD2 3.3Å; Y176-L271 HydrophobicContact CE2-CG 3.99Å; Y176-L271 HydrophobicContact CG-CD2 4.21Å; I225-L271 HydrophobicContact CB-CD2 4.48Å; I225-L271 HydrophobicContact CG2-CD1 3.94Å; I225-L271 VanDerWaalsContact O-CD2 3.31Å; I225-L271 WeakPolarHBondContact O-CD2 3.17Å; D227-L271 HydrophobicContact CB-CB 4.43Å; D227-L271 HydrophobicContact CB-CD1 4.14Å; E267-L271 PolarHBondContact O-N 3.43Å; L271-N273 VanDerWaalsContact C-N 3.34Å; L271-N273 PolarHBondContact O-N 2.95Å; L271-N274 PolarHBondContact O-N 3.34Å; L271-I275 HydrophobicContact CD1-CG2 4.07Å; L271-I275 HydrophobicContact CG-CD1 4.44Å; L271-I275 VanDerWaalsContact O-CG1 3.26Å; L271-I275 WeakPolarHBondContact O-CG1 3.44Å; L271-I275 PolarHBondContact O-N 3.47Å
272F89.5Confident87.7Confident1 Ų157 Ų570%0.00432%0.315CS..Hα-helixtrans-57.6-47.1178.9173.9-101.1000111.5Y253 Q268 L269 E270 I275 R276 F279 L284 V286 L310 I315Y253-F272 HydrophobicContact CD1-CB 4.32Å; Y253-F272 AromaticContact CD1-CD2 3.72Å; Y253-F272 HydrophobicContact CD1-CD2 3.72Å; Y253-F272 HydrophobicContact CD1-CG 4.35Å; Y253-F272 HydrophobicContact CD2-CD2 4.17Å; Y253-F272 HydrophobicContact CE1-CB 3.69Å; Y253-F272 AromaticContact CE1-CD2 3.97Å; Y253-F272 HydrophobicContact CE1-CD2 3.97Å; Y253-F272 HydrophobicContact CE1-CG 4.2Å; Y253-F272 HydrophobicContact CE2-CB 4.41Å; Y253-F272 HydrophobicContact CE2-CD2 4.41Å; Y253-F272 AromaticContact CG-CD2 3.82Å; Y253-F272 HydrophobicContact CG-CD2 3.82Å; Y253-F272 HydrophobicContact CG-CE2 4.47Å; Y253-F272 PolarHBondContact OH-N 3.09Å; Q268-F272 PolarHBondContact O-N 2.99Å; L269-F272 WeakPolarHBondContact O-CB 3.44Å; L269-F272 PolarHBondContact O-N 3.42Å; E270-F272 VanDerWaalsContact C-N 3.28Å; E270-F272 PolarHBondContact O-N 3.32Å; F272-I275 WeakPolarHBondContact O-CG1 3.39Å; F272-I275 PolarHBondContact O-N 3.39Å; F272-R276 WeakPolarHBondContact O-CB 3.27Å; F272-R276 PolarHBondContact O-N 2.94Å; F272-F279 HydrophobicContact CD2-CE2 4.01Å; F272-F279 HydrophobicContact CE2-CD2 4.26Å; F272-F279 AromaticContact CE2-CE2 3.79Å; F272-F279 HydrophobicContact CE2-CE2 3.79Å; F272-L284 HydrophobicContact CE2-CD1 4.18Å; F272-L284 HydrophobicContact CE2-CD2 3.44Å; F272-L284 VanDerWaalsContact CE2-CD2 3.44Å; F272-L284 HydrophobicContact CE2-CG 4.35Å; F272-L284 HydrophobicContact CZ-CD2 3.41Å; F272-L284 VanDerWaalsContact CZ-CD2 3.41Å; F272-V286 HydrophobicContact CE2-CG2 4.46Å; F272-L310 HydrophobicContact CD1-CD2 4.1Å; F272-L310 HydrophobicContact CE1-CD2 3.62Å; F272-L310 HydrophobicContact CZ-CD2 4.25Å; F272-I315 HydrophobicContact CZ-CD1 4.01Å
273N88.5Confident88Confident68 Ų6854.8 Ų54.836%0.36429%0.288SS..Hα-helixtrans-65.3-38.9178.2-73.5-34.5000112.1L269 E270 L271 I275 R276L269-N273 VanDerWaalsContact CD2-ND2 3.27Å; L269-N273 WeakPolarHBondContact CD2-ND2 3.38Å; L269-N273 PolarHBondContact O-N 2.83Å; L269-N273 PolarHBondContact O-ND2 3.44Å; E270-N273 PolarHBondContact O-N 3.15Å; L271-N273 VanDerWaalsContact C-N 3.34Å; L271-N273 PolarHBondContact O-N 2.95Å; N273-I275 PolarHBondContact O-N 2.54Å; N273-R276 VanDerWaalsContact O-CB 3.29Å; N273-R276 WeakPolarHBondContact O-CB 3.32Å; N273-R276 PolarHBondContact O-N 3.39Å
274N86.6Confident88.3Confident93 Ų9353.2 Ų53.250%0.49728%0.281SS..Hα-helixtrans-66.6-36178.6-72.6-18.8000112.6D227 E270 L271 P277D227-N274 PolarHBondContact OD1-ND2 2.73Å; D227-N274 PolarHBondContact OD2-ND2 3.1Å; E270-N274 WeakPolarHBondContact O-CB 3.5Å; E270-N274 VanDerWaalsContact O-CG 3.28Å; E270-N274 PolarHBondContact O-N 2.85Å; E270-N274 PolarHBondContact O-ND2 3.08Å; L271-N274 PolarHBondContact O-N 3.34Å; N274-P277 WeakPolarHBondContact O-CD 3.28Å
275I86.9Confident88.5Confident2 Ų250.6 Ų50.61%0.0127%0.265CS..Hα-helixtrans-91.6-9.2177.669.8-176.5000113.6Y253 L271 F272 N273 P277 L278 F279Y253-I275 HydrophobicContact CD2-CD1 4.12Å; Y253-I275 HydrophobicContact CE2-CD1 3.71Å; L271-I275 HydrophobicContact CD1-CG2 4.07Å; L271-I275 HydrophobicContact CG-CD1 4.44Å; L271-I275 VanDerWaalsContact O-CG1 3.26Å; L271-I275 WeakPolarHBondContact O-CG1 3.44Å; L271-I275 PolarHBondContact O-N 3.47Å; F272-I275 WeakPolarHBondContact O-CG1 3.39Å; F272-I275 PolarHBondContact O-N 3.39Å; N273-I275 PolarHBondContact O-N 2.54Å; I275-P277 VanDerWaalsContact C-N 3.29Å; I275-P277 VanDerWaalsContact O-N 3.16Å; I275-L278 HydrophobicContact CB-CD1 4.42Å; I275-L278 VanDerWaalsContact O-CB 3.29Å; I275-L278 WeakPolarHBondContact O-CB 3.37Å; I275-L278 PolarHBondContact O-N 3.04Å; I275-F279 HydrophobicContact CB-CZ 4.28Å; I275-F279 HydrophobicContact CD1-CE1 4.25Å; I275-F279 HydrophobicContact CD1-CE2 4.1Å; I275-F279 HydrophobicContact CD1-CZ 3.41Å; I275-F279 VanDerWaalsContact CD1-CZ 3.41Å; I275-F279 HydrophobicContact CG1-CE1 4.22Å; I275-F279 HydrophobicContact CG1-CE2 3.66Å; I275-F279 HydrophobicContact CG1-CZ 3.38Å
276R86.7Confident88.8Confident105 Ų10550.6 Ų50.640%0.39627%0.265SS..G310 helixtrans-47.9-39.8178.4-170174.6177.5173.81.3114.2F272 N273 L278 F279 E313F272-R276 WeakPolarHBondContact O-CB 3.27Å; F272-R276 PolarHBondContact O-N 2.94Å; N273-R276 VanDerWaalsContact O-CB 3.29Å; N273-R276 WeakPolarHBondContact O-CB 3.32Å; N273-R276 PolarHBondContact O-N 3.39Å; R276-L278 PolarHBondContact O-N 3.17Å; R276-F279 WeakPolarHBondContact O-CB 3.41Å; R276-F279 PolarHBondContact O-N 3.12Å; R276-E313 IonicContact CZ-OE1 3.32Å; R276-E313 IonicContact CZ-OE2 2.87Å; R276-E313 IonicContact NH1-OE1 2.73Å; R276-E313 PolarHBondContact NH1-OE1 3.14Å; R276-E313 IonicContact NH1-OE2 2.63Å; R276-E313 PolarHBondContact NH1-OE2 3.42Å; R276-E313 VanDerWaalsContact NH1-OE2 3.11Å; R276-E313 IonicContact NH2-OE1 3.36Å; R276-E313 PolarHBondContact NH2-OE1 3.31Å; R276-E313 IonicContact NH2-OE2 3.17Å; R276-E313 PolarHBondContact NH2-OE2 3.12Å
277P87.6Confident89.1Confident99 Ų9944.7 Ų44.764%0.64324%0.238SC*.G310 helixtrans-59.3-28.7176.2-25.336.1000114.1N274 I275 F279N274-P277 WeakPolarHBondContact O-CD 3.28Å; I275-P277 VanDerWaalsContact C-N 3.29Å; I275-P277 VanDerWaalsContact O-N 3.16Å; P277-F279 PolarHBondContact O-N 2.88Å
278L85.1Confident89.3Confident55 Ų5541.4 Ų41.429%0.28822%0.223SC..G310 helixtrans-74.4-15178.7-59.9173.2000112.8I241 I275 R276 A280I241-L278 HydrophobicContact CG2-CD1 4.3Å; I275-L278 HydrophobicContact CB-CD1 4.42Å; I275-L278 VanDerWaalsContact O-CB 3.29Å; I275-L278 WeakPolarHBondContact O-CB 3.37Å; I275-L278 PolarHBondContact O-N 3.04Å; R276-L278 PolarHBondContact O-N 3.17Å; L278-A280 VanDerWaalsContact C-N 3.33Å
279F84.6Confident89.4Confident12 Ų1241.5 Ų41.55%0.05322%0.223CC..G310 helixtrans-88.72.2180-53.1-32.4000113.5L244 V251 F272 I275 R276 P277 N281 K282 L284L244-F279 HydrophobicContact CD1-CE1 4.37Å; L244-F279 HydrophobicContact CD2-CD1 4.16Å; L244-F279 HydrophobicContact CD2-CE1 3.62Å; V251-F279 HydrophobicContact CB-CD1 4.42Å; V251-F279 HydrophobicContact CB-CE1 4.48Å; V251-F279 HydrophobicContact CG1-CD1 4.13Å; V251-F279 HydrophobicContact CG1-CE1 3.71Å; V251-F279 HydrophobicContact CG1-CZ 4.12Å; V251-F279 HydrophobicContact CG2-CD1 4.12Å; V251-F279 HydrophobicContact CG2-CE1 4.41Å; F272-F279 HydrophobicContact CD2-CE2 4.01Å; F272-F279 HydrophobicContact CE2-CD2 4.26Å; F272-F279 AromaticContact CE2-CE2 3.79Å; F272-F279 HydrophobicContact CE2-CE2 3.79Å; I275-F279 HydrophobicContact CB-CZ 4.28Å; I275-F279 HydrophobicContact CD1-CE1 4.25Å; I275-F279 HydrophobicContact CD1-CE2 4.1Å; I275-F279 HydrophobicContact CD1-CZ 3.41Å; I275-F279 VanDerWaalsContact CD1-CZ 3.41Å; I275-F279 HydrophobicContact CG1-CE1 4.22Å; I275-F279 HydrophobicContact CG1-CE2 3.66Å; I275-F279 HydrophobicContact CG1-CZ 3.38Å; R276-F279 WeakPolarHBondContact O-CB 3.41Å; R276-F279 PolarHBondContact O-N 3.12Å; P277-F279 PolarHBondContact O-N 2.88Å; F279-N281 PolarHBondContact O-N 3.34Å; F279-K282 WeakPolarHBondContact O-CB 3.42Å; F279-K282 PolarHBondContact O-N 3.27Å; F279-L284 HydrophobicContact CD2-CD1 4.06Å; F279-L284 HydrophobicContact CD2-CD2 4.32Å; F279-L284 HydrophobicContact CE2-CD1 4.13Å; F279-L284 HydrophobicContact CG-CD1 4.47Å
280A81.9Confident89.5Confident62 Ų6241.1 Ų41.151%0.51222%0.22SC..THydrogen-bonded Turntrans-53.5128.9178.800000111.4L278 K282L278-A280 VanDerWaalsContact C-N 3.33Å; A280-K282 VanDerWaalsContact C-N 3.29Å; A280-K282 PolarHBondContact O-N 3.02Å
281N85.6Confident89.5Confident151 Ų15136.9 Ų36.981%0.80720%0.201SC*.THydrogen-bonded Turntrans64.422.5-175.8-51.7-65.8000115.4F279 Q342F279-N281 PolarHBondContact O-N 3.34Å; N281-Q342 PolarHBondContact O-NE2 3.02Å
282K90.6Very high89.6Confident36 Ų3640.1 Ų40.116%0.15722%0.218CC..SBendtrans-118.9138.4176-55.9-174.6-168.3-1630110L244 A245 L247 V251 F279 A280 L284L244-K282 PolarHBondContact O-NZ 2.86Å; A245-K282 PolarHBondContact O-NZ 3.44Å; L247-K282 PolarHBondContact O-NZ 3.39Å; V251-K282 HydrophobicContact CG2-CB 4.29Å; V251-K282 HydrophobicContact CG2-CD 4.16Å; F279-K282 WeakPolarHBondContact O-CB 3.42Å; F279-K282 PolarHBondContact O-N 3.27Å; A280-K282 VanDerWaalsContact C-N 3.29Å; A280-K282 PolarHBondContact O-N 3.02Å; K282-L284 PolarHBondContact O-N 3.36Å
283P92.8Very high89.5Confident18 Ų1843 Ų4312%0.11724%0.236CC..  trans-68.1129.7171.214.8-3.5000108.2A249 A250 V251 R338 L339A249-P283 WeakPolarHBondContact O-CD 3.44Å; A250-P283 CarbonylContact C-O 3.58Å; A250-P283 WeakPolarHBondContact CA-O 3.38Å; A250-P283 HydrophobicContact CB-CB 4.41Å; A250-P283 HydrophobicContact CB-CG 3.88Å; V251-P283 PolarHBondContact N-O 3.19Å; P283-R338 HydrophobicContact CB-CB 4.09Å; P283-L339 HydrophobicContact CG-CB 4.15Å; P283-L339 HydrophobicContact CG-CD1 3.69Å
284L93.8Very high89.5Confident21 Ų2144 Ų4411%0.1124%0.237CC..EExtended strand (participates in β ladder)trans-114.6139.6-177.7179.371.7000109.8V251 F272 F279 K282 I315V251-L284 HydrophobicContact CB-CD1 4.06Å; V251-L284 HydrophobicContact CG1-CD1 4.05Å; V251-L284 WeakPolarHBondContact O-CA 3.33Å; F272-L284 HydrophobicContact CE2-CD1 4.18Å; F272-L284 HydrophobicContact CE2-CD2 3.44Å; F272-L284 VanDerWaalsContact CE2-CD2 3.44Å; F272-L284 HydrophobicContact CE2-CG 4.35Å; F272-L284 HydrophobicContact CZ-CD2 3.41Å; F272-L284 VanDerWaalsContact CZ-CD2 3.41Å; F279-L284 HydrophobicContact CD2-CD1 4.06Å; F279-L284 HydrophobicContact CD2-CD2 4.32Å; F279-L284 HydrophobicContact CE2-CD1 4.13Å; F279-L284 HydrophobicContact CG-CD1 4.47Å; K282-L284 PolarHBondContact O-N 3.36Å; L284-I315 HydrophobicContact CD2-CD1 3.73Å; L284-I315 HydrophobicContact CD2-CG1 4.07Å; L284-I315 HydrophobicContact CD2-CG2 3.85Å; L284-I315 HydrophobicContact CG-CG2 3.99Å
285I94.3Very high89.6Confident1 Ų143.9 Ų43.91%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-135.7132171.6-59.1-171.9000107.9V251 L252 Y253 V287 P316 I318 E334 A335V251-I285 PolarHBondContact O-N 3.18Å; L252-I285 WeakPolarHBondContact CA-O 3.42Å; L252-I285 HydrophobicContact CD2-CB 4.04Å; L252-I285 HydrophobicContact CD2-CG2 4.21Å; Y253-I285 PolarHBondContact N-O 3Å; I285-V287 HydrophobicContact CG2-CG2 4.14Å; I285-P316 HydrophobicContact CB-CG 4.26Å; I285-P316 HydrophobicContact CD1-CG 4.37Å; I285-P316 HydrophobicContact CG1-CG 3.8Å; I285-P316 HydrophobicContact CG2-CG 4.17Å; I285-I318 HydrophobicContact CG2-CD1 4.35Å; I285-E334 HydrophobicContact CD1-CB 4.07Å; I285-E334 HydrophobicContact CD1-CG 3.81Å; I285-A335 HydrophobicContact CD1-CB 3.73Å; I285-A335 VanDerWaalsContact CD1-N 3.34Å
286V94.8Very high89.5Confident0 Ų045.2 Ų45.20%024%0.239CC..EExtended strand (participates in β ladder)trans-94.9125.4172.9175.10000108Y253 M255 F272 L310 I315 P316 V317 I318Y253-V286 WeakPolarHBondContact O-CA 3.42Å; M255-V286 HydrophobicContact CG-CG1 4.2Å; M255-V286 HydrophobicContact SD-CG1 3.7Å; F272-V286 HydrophobicContact CE2-CG2 4.46Å; V286-L310 HydrophobicContact CG1-CD1 4.45Å; V286-L310 HydrophobicContact CG2-CD1 4.45Å; V286-I315 HydrophobicContact CB-CG2 4.44Å; V286-I315 HydrophobicContact CG2-CG2 3.74Å; V286-P316 PolarHBondContact N-O 3.13Å; V286-V317 HydrophobicContact CB-CG2 4.26Å; V286-V317 HydrophobicContact CG1-CG2 4.47Å; V286-V317 WeakPolarHBondContact O-CA 3.38Å; V286-I318 PolarHBondContact O-N 3.3Å
287V94.9Very high89.6Confident2 Ų244.4 Ų44.41%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-111.7110.4-176.7-179.90000107.5L252 Y253 V254 M255 I285 N289 T320 V331L252-V287 HydrophobicContact CB-CG2 4.49Å; L252-V287 HydrophobicContact CD2-CG2 3.66Å; Y253-V287 PolarHBondContact O-N 3.42Å; V254-V287 CarbonylContact C-O 3.6Å; V254-V287 WeakPolarHBondContact CA-O 3.43Å; V254-V287 HydrophobicContact CG2-CB 4.4Å; M255-V287 PolarHBondContact N-O 3.42Å; I285-V287 HydrophobicContact CG2-CG2 4.14Å; V287-N289 PolarHBondContact O-N 3.38Å; V287-T320 HydrophobicContact CG1-CG2 3.69Å; V287-T320 WeakPolarHBondContact CG1-OG1 3.34Å; V287-V331 HydrophobicContact CG1-CG2 4.29Å; V287-V331 HydrophobicContact CG2-CG1 3.67Å; V287-V331 HydrophobicContact CG2-CG2 4.13Å
288A94.2Very high89.6Confident0 Ų045.8 Ų45.80%025%0.247CC..EExtended strand (participates in β ladder)trans-82.3106.8171.200000107.6P257 C291 I296 I318 E319 T320P257-A288 HydrophobicContact CG-CB 3.82Å; A288-C291 PolarHBondContact O-SG 2.89Å; A288-I296 HydrophobicContact CB-CD1 3.92Å; A288-I296 HydrophobicContact CB-CG1 4.39Å; A288-I318 PolarHBondContact N-O 3.49Å; A288-E319 CarbonylContact O-C 3.55Å; A288-T320 PolarHBondContact O-N 3.01Å; A288-T320 PolarHBondContact O-OG1 3.17Å
289N93Very high89.6Confident2 Ų243.6 Ų43.61%0.01124%0.236CC..  trans-98.2161.4-178.9-16830.3000111.4V179 V254 M255 P257 V287 T320V179-N289 PolarHBondContact O-ND2 3.07Å; V254-N289 HydrophobicContact CG1-CB 3.72Å; M255-N289 PolarHBondContact O-N 3.3Å; P257-N289 WeakPolarHBondContact CD-O 3.45Å; V287-N289 PolarHBondContact O-N 3.38Å; N289-T320 CarbonylContact C-O 3.5Å; N289-T320 VanDerWaalsContact CA-O 3.31Å; N289-T320 WeakPolarHBondContact CA-O 3.21Å; N289-T320 WeakPolarHBondContact CA-OG1 3.26Å; N289-T320 PolarHBondContact OD1-O 3.38Å
290K91.3Very high89.7Confident35 Ų3546.8 Ų46.815%0.15226%0.257CS..  trans67.933.3-175.6-48.6-173.3-168.6165.30114.7N178 D256 D292 V293 T320N178-K290 PolarHBondContact O-NZ 3.43Å; N178-K290 VanDerWaalsContact O-NZ 3.13Å; D256-K290 WeakPolarHBondContact OD2-CD 3.39Å; D256-K290 WeakPolarHBondContact OD2-CE 3.48Å; D256-K290 IonicContact OD2-NZ 2.76Å; D256-K290 PolarHBondContact OD2-NZ 2.76Å; K290-D292 VanDerWaalsContact CA-OD1 3.31Å; K290-D292 WeakPolarHBondContact CA-OD1 3.46Å; K290-D292 PolarHBondContact O-N 3.13Å; K290-D292 VanDerWaalsContact O-N 3.09Å; K290-V293 PolarHBondContact O-N 3.42Å; K290-T320 PolarHBondContact N-O 3.32Å; K290-T320 VanDerWaalsContact N-O 3.12Å
291C89.4Confident89.9Confident11 Ų1150.9 Ų50.97%0.07427%0.266CS..THydrogen-bonded Turntrans-64.8-9.8176-63.10000114.3A288 V293 K294 K295 E319 T320A288-C291 PolarHBondContact O-SG 2.89Å; C291-V293 VanDerWaalsContact C-N 3.28Å; C291-K294 WeakPolarHBondContact CA-O 3.08Å; C291-K295 WeakPolarHBondContact O-CG 3.15Å; C291-E319 HydrophobicContact CB-CB 4.33Å; C291-E319 WeakPolarHBondContact SG-CB 3.5Å; C291-T320 PolarHBondContact N-O 3.45Å; C291-T320 PolarHBondContact SG-O 3.18Å
292D88.8Confident89.9Confident68 Ų6850.6 Ų50.636%0.36426%0.26SS..THydrogen-bonded Turntrans-67.7-25.816951.8-66.8000113.2K290 S321 L323 T324K290-D292 VanDerWaalsContact CA-OD1 3.31Å; K290-D292 WeakPolarHBondContact CA-OD1 3.46Å; K290-D292 PolarHBondContact O-N 3.13Å; K290-D292 VanDerWaalsContact O-N 3.09Å; D292-S321 VanDerWaalsContact CG-OG 3.26Å; D292-S321 WeakPolarHBondContact OD1-CB 3.44Å; D292-S321 PolarHBondContact OD1-OG 3.42Å; D292-L323 WeakPolarHBondContact OD2-CD2 3.34Å; D292-T324 HydrophobicContact CB-CG2 4.2Å
293V89.2Confident89.6Confident63 Ų6350.2 Ų50.238%0.38226%0.26SS..THydrogen-bonded Turntrans-92.3-48.8178.7-178.50000111.7K290 C291K290-V293 PolarHBondContact O-N 3.42Å; C291-V293 VanDerWaalsContact C-N 3.28Å
294K87.9Confident89.3Confident88 Ų8852.8 Ų52.838%0.38327%0.27SS..  trans-142.5127.1176.3-74.2-171.9-173.6168.20109.8C291 L299C291-K294 WeakPolarHBondContact CA-O 3.08Å; K294-L299 HydrophobicContact CD-CD2 4.37Å
295K87.6Confident89Confident90 Ų9057.7 Ų57.739%0.39129%0.291SS..  trans-86157.7172.7-65.4-175.3178.9-176.80111.2C291 S297 E298C291-K295 WeakPolarHBondContact O-CG 3.15Å; K295-S297 PolarHBondContact O-N 3Å; K295-E298 HydrophobicContact CB-CG 4.35Å; K295-E298 PolarHBondContact N-OE2 2.68Å; K295-E298 VanDerWaalsContact N-OE2 3.15Å; K295-E298 PolarHBondContact O-N 3.44Å
296I85.9Confident88.7Confident30 Ų3058.8 Ų58.815%0.15430%0.296CS..G310 helixtrans-60.5-34.7179.1-63.2174000110.6A288 E298 L299 Q304 F307 V317 E319A288-I296 HydrophobicContact CB-CD1 3.92Å; A288-I296 HydrophobicContact CB-CG1 4.39Å; I296-E298 PolarHBondContact O-N 2.92Å; I296-L299 HydrophobicContact CB-CD1 4.48Å; I296-L299 HydrophobicContact CG2-CD1 4.44Å; I296-L299 WeakPolarHBondContact O-CB 3.35Å; I296-L299 PolarHBondContact O-N 3.06Å; I296-Q304 WeakPolarHBondContact O-CG 3.44Å; I296-Q304 PolarHBondContact O-NE2 3.19Å; I296-F307 HydrophobicContact CD1-CG 4.49Å; I296-F307 HydrophobicContact CG2-CD2 4.05Å; I296-F307 HydrophobicContact CG2-CG 4.49Å; I296-V317 HydrophobicContact CD1-CG1 3.96Å; I296-E319 WeakPolarHBondContact CB-OE1 3.36Å; I296-E319 HydrophobicContact CD1-CG 3.48Å; I296-E319 VanDerWaalsContact CD1-CG 3.48Å; I296-E319 HydrophobicContact CG1-CG 3.87Å; I296-E319 WeakPolarHBondContact CG1-OE1 3.44Å; I296-E319 PolarHBondContact N-OE1 2.92Å
297S87.7Confident88.4Confident89 Ų8959.1 Ų59.162%0.62230%0.297SS*.G310 helixtrans-64.1-21.3176.8560000114.7K295 Q304K295-S297 PolarHBondContact O-N 3Å; S297-Q304 PolarHBondContact O-NE2 3.27Å
298E88.1Confident88Confident127 Ų12761.7 Ų61.759%0.59332%0.319SS*.G310 helixtrans-96-5.2-177.4-62.9167175.500112.2K295 I296K295-E298 HydrophobicContact CB-CG 4.35Å; K295-E298 PolarHBondContact N-OE2 2.68Å; K295-E298 VanDerWaalsContact N-OE2 3.15Å; K295-E298 PolarHBondContact O-N 3.44Å; I296-E298 PolarHBondContact O-N 2.92Å
299L85.4Confident87.8Confident10 Ų1066.7 Ų66.75%0.05235%0.346CS..SBendtrans-74.4155.2178.4-65.2172.9000111.5P257 L265 K294 I296 N303 Q304 F307P257-L299 HydrophobicContact CB-CD1 3.93Å; P257-L299 HydrophobicContact CB-CD2 4.27Å; L265-L299 HydrophobicContact CD1-CD1 4.44Å; K294-L299 HydrophobicContact CD-CD2 4.37Å; I296-L299 HydrophobicContact CB-CD1 4.48Å; I296-L299 HydrophobicContact CG2-CD1 4.44Å; I296-L299 WeakPolarHBondContact O-CB 3.35Å; I296-L299 PolarHBondContact O-N 3.06Å; L299-N303 HydrophobicContact CB-CB 4.14Å; L299-N303 HydrophobicContact CD1-CB 4.45Å; L299-Q304 HydrophobicContact CB-CG 4.12Å; L299-Q304 PolarHBondContact O-NE2 2.95Å; L299-F307 HydrophobicContact CD1-CD2 4.23Å; L299-F307 HydrophobicContact CD1-CE2 3.67Å
300P87.6Confident87.5Confident78 Ų7867 Ų6751%0.50635%0.347SS..  trans-54148.3169.5-23.232.7000112.1E302 N303 Q304P300-E302 PolarHBondContact O-N 3.1Å; P300-E302 VanDerWaalsContact O-N 3.08Å; P300-N303 PolarHBondContact O-N 3.35Å; P300-Q304 PolarHBondContact O-N 3.19Å
301E86.1Confident87.3Confident148 Ų14868.2 Ų68.269%0.69236%0.36SS*.Hα-helixtrans-54.3-32.1-179.7-65.8-174.8-179.200113Q304 K305E301-Q304 PolarHBondContact O-N 3.34Å; E301-K305 VanDerWaalsContact O-CG 3.29Å; E301-K305 WeakPolarHBondContact O-CG 3.29Å; E301-K305 PolarHBondContact O-N 2.75Å
302E84.3Confident87.1Confident146 Ų14671.7 Ų71.768%0.68239%0.39SS*.Hα-helixtrans-62.3-43.3174.9-63.8-177.217200112.4P300 K305 I306P300-E302 PolarHBondContact O-N 3.1Å; P300-E302 VanDerWaalsContact O-N 3.08Å; E302-K305 WeakPolarHBondContact O-CB 3.29Å; E302-K305 PolarHBondContact O-N 2.88Å; E302-I306 PolarHBondContact O-N 3.45Å
303N85.2Confident86.9Confident28 Ų2872.6 Ų72.615%0.1539%0.392CS..Hα-helixtrans-78.3-28.3179.8-70.9-15.5000112L265 L299 P300 K305 I306 F307L265-N303 HydrophobicContact CD1-CB 3.92Å; L299-N303 HydrophobicContact CB-CB 4.14Å; L299-N303 HydrophobicContact CD1-CB 4.45Å; P300-N303 PolarHBondContact O-N 3.35Å; N303-K305 VanDerWaalsContact C-N 3.33Å; N303-I306 WeakPolarHBondContact O-CB 3.22Å; N303-I306 PolarHBondContact O-N 3.33Å; N303-F307 VanDerWaalsContact O-CD2 3.23Å; N303-F307 WeakPolarHBondContact O-CD2 3.35Å
304Q85.7Confident86.7Confident71 Ų7177.7 Ų77.733%0.33241%0.411SS..Hα-helixtrans-66.1-38171.4-66.2-174.812.900111.6I296 S297 L299 P300 E301 I306 F307 A308I296-Q304 WeakPolarHBondContact O-CG 3.44Å; I296-Q304 PolarHBondContact O-NE2 3.19Å; S297-Q304 PolarHBondContact O-NE2 3.27Å; L299-Q304 HydrophobicContact CB-CG 4.12Å; L299-Q304 PolarHBondContact O-NE2 2.95Å; P300-Q304 PolarHBondContact O-N 3.19Å; E301-Q304 PolarHBondContact O-N 3.34Å; Q304-I306 VanDerWaalsContact C-N 3.27Å; Q304-I306 PolarHBondContact O-N 3.34Å; Q304-F307 PolarHBondContact O-N 3.32Å; Q304-A308 PolarHBondContact O-N 3.25Å
305K88.3Confident86.7Confident125 Ų12574.3 Ų74.354%0.54340%0.397SS..Hα-helixtrans-58.5-38.8174.9-74.1169.3-172.9175.70111.9E301 E302 N303 F307 A308 D309E301-K305 VanDerWaalsContact O-CG 3.29Å; E301-K305 WeakPolarHBondContact O-CG 3.29Å; E301-K305 PolarHBondContact O-N 2.75Å; E302-K305 WeakPolarHBondContact O-CB 3.29Å; E302-K305 PolarHBondContact O-N 2.88Å; N303-K305 VanDerWaalsContact C-N 3.33Å; K305-F307 PolarHBondContact O-N 2.76Å; K305-A308 PolarHBondContact O-N 3.12Å; K305-A308 VanDerWaalsContact O-N 3.16Å; K305-D309 WeakPolarHBondContact O-CB 3.49Å; K305-D309 PolarHBondContact O-N 3.39Å
306I87.3Confident86.9Confident23 Ų2371.1 Ų71.112%0.11839%0.386CS..Hα-helixtrans-54.7-49.3175.5-67.1171.8000111.7L269 E302 N303 Q304 D309 L310L269-I306 HydrophobicContact CD1-CB 4.34Å; L269-I306 HydrophobicContact CD1-CG1 4.4Å; L269-I306 HydrophobicContact CD1-CG2 3.29Å; E302-I306 PolarHBondContact O-N 3.45Å; N303-I306 WeakPolarHBondContact O-CB 3.22Å; N303-I306 PolarHBondContact O-N 3.33Å; Q304-I306 VanDerWaalsContact C-N 3.27Å; Q304-I306 PolarHBondContact O-N 3.34Å; I306-D309 PolarHBondContact O-N 3.24Å; I306-L310 HydrophobicContact CG2-CD1 4.32Å; I306-L310 WeakPolarHBondContact O-CG 3.35Å; I306-L310 PolarHBondContact O-N 3.01Å; I306-L310 VanDerWaalsContact O-N 3.13Å
307F87.8Confident87.3Confident7 Ų771.2 Ų71.23%0.03139%0.388CS..Hα-helixtrans-72.8-30.6-180-64.1-69.8000112.7M255 P257 L265 I296 L299 N303 Q304 K305 L310 S311 V317M255-F307 HydrophobicContact CE-CE1 4.36Å; M255-F307 HydrophobicContact SD-CE1 4.11Å; P257-F307 HydrophobicContact CG-CZ 4.3Å; L265-F307 HydrophobicContact CD2-CE2 4.47Å; L265-F307 HydrophobicContact CD2-CZ 3.99Å; I296-F307 HydrophobicContact CD1-CG 4.49Å; I296-F307 HydrophobicContact CG2-CD2 4.05Å; I296-F307 HydrophobicContact CG2-CG 4.49Å; L299-F307 HydrophobicContact CD1-CD2 4.23Å; L299-F307 HydrophobicContact CD1-CE2 3.67Å; N303-F307 VanDerWaalsContact O-CD2 3.23Å; N303-F307 WeakPolarHBondContact O-CD2 3.35Å; Q304-F307 PolarHBondContact O-N 3.32Å; K305-F307 PolarHBondContact O-N 2.76Å; F307-L310 HydrophobicContact CD1-CD1 4.44Å; F307-S311 WeakPolarHBondContact O-CB 3.37Å; F307-S311 PolarHBondContact O-N 3.49Å; F307-S311 PolarHBondContact O-OG 3.37Å; F307-V317 HydrophobicContact CB-CG1 4.39Å; F307-V317 HydrophobicContact CD1-CG1 3.71Å; F307-V317 HydrophobicContact CD1-CG2 4.36Å; F307-V317 HydrophobicContact CE1-CG1 4.42Å; F307-V317 HydrophobicContact CG-CG1 4.35Å
308A87.7Confident87.6Confident56 Ų5668.3 Ų68.346%0.46337%0.365SS..Hα-helixtrans-67.1-42173.700000111.7Q304 K305 S311 A312Q304-A308 PolarHBondContact O-N 3.25Å; K305-A308 PolarHBondContact O-N 3.12Å; K305-A308 VanDerWaalsContact O-N 3.16Å; A308-S311 WeakPolarHBondContact O-CB 3.47Å; A308-S311 PolarHBondContact O-N 2.86Å; A308-A312 PolarHBondContact O-N 3.47Å
309D89.4Confident87.9Confident105 Ų10566 Ų6656%0.56135%0.354SS*.Hα-helixtrans-64.2-44.3177.1-68.9-18.8000110.9K305 I306 S311 A312 E313K305-D309 WeakPolarHBondContact O-CB 3.49Å; K305-D309 PolarHBondContact O-N 3.39Å; I306-D309 PolarHBondContact O-N 3.24Å; D309-S311 VanDerWaalsContact C-N 3.28Å; D309-S311 PolarHBondContact O-N 2.99Å; D309-A312 WeakPolarHBondContact O-CB 3.21Å; D309-A312 PolarHBondContact O-N 3.02Å; D309-A312 VanDerWaalsContact O-N 3.15Å; D309-E313 PolarHBondContact O-N 3.28Å; D309-E313 VanDerWaalsContact O-N 3.14Å
310L87.3Confident88.3Confident8 Ų865.5 Ų65.54%0.04235%0.352CS..Hα-helixtrans-59.8-39.6173.3-70.7169.9000112F272 V286 I306 F307 A312 E313 I315 V317F272-L310 HydrophobicContact CD1-CD2 4.1Å; F272-L310 HydrophobicContact CE1-CD2 3.62Å; F272-L310 HydrophobicContact CZ-CD2 4.25Å; V286-L310 HydrophobicContact CG1-CD1 4.45Å; V286-L310 HydrophobicContact CG2-CD1 4.45Å; I306-L310 HydrophobicContact CG2-CD1 4.32Å; I306-L310 WeakPolarHBondContact O-CG 3.35Å; I306-L310 PolarHBondContact O-N 3.01Å; I306-L310 VanDerWaalsContact O-N 3.13Å; F307-L310 HydrophobicContact CD1-CD1 4.44Å; L310-A312 VanDerWaalsContact C-N 3.35Å; L310-E313 PolarHBondContact O-N 2.69Å; L310-I315 HydrophobicContact CD2-CD1 4.43Å; L310-I315 WeakPolarHBondContact O-CB 3.33Å; L310-I315 PolarHBondContact O-N 2.69Å; L310-V317 HydrophobicContact CB-CG2 4.14Å
311S85.9Confident88.6Confident62 Ų6261.9 Ų61.943%0.43433%0.328SS..Hα-helixtrans-68.4-34.7176.8-58.60000112.3F307 A308 D309 E313 E314 I315F307-S311 WeakPolarHBondContact O-CB 3.37Å; F307-S311 PolarHBondContact O-N 3.49Å; F307-S311 PolarHBondContact O-OG 3.37Å; A308-S311 WeakPolarHBondContact O-CB 3.47Å; A308-S311 PolarHBondContact O-N 2.86Å; D309-S311 VanDerWaalsContact C-N 3.28Å; D309-S311 PolarHBondContact O-N 2.99Å; S311-E313 VanDerWaalsContact C-N 3.26Å; S311-E313 PolarHBondContact O-N 3.03Å; S311-E314 PolarHBondContact O-N 2.83Å; S311-E314 VanDerWaalsContact O-N 3.14Å; S311-I315 WeakPolarHBondContact CA-O 3.33Å
312A87Confident88.8Confident83 Ų8355.9 Ų55.969%0.68630%0.302SS*.Hα-helixtrans-66.5-27.5175.400000112.4A308 D309 L310 E314A308-A312 PolarHBondContact O-N 3.47Å; D309-A312 WeakPolarHBondContact O-CB 3.21Å; D309-A312 PolarHBondContact O-N 3.02Å; D309-A312 VanDerWaalsContact O-N 3.15Å; L310-A312 VanDerWaalsContact C-N 3.35Å; A312-E314 PolarHBondContact O-N 2.85Å
313E83.9Confident89.1Confident87 Ų8755.1 Ų55.141%0.40730%0.302SS..THydrogen-bonded Turntrans-78.815.3171.7-63.1-169.4146.700114R276 D309 L310 S311 I315R276-E313 IonicContact CZ-OE1 3.32Å; R276-E313 IonicContact CZ-OE2 2.87Å; R276-E313 IonicContact NH1-OE1 2.73Å; R276-E313 PolarHBondContact NH1-OE1 3.14Å; R276-E313 IonicContact NH1-OE2 2.63Å; R276-E313 PolarHBondContact NH1-OE2 3.42Å; R276-E313 VanDerWaalsContact NH1-OE2 3.11Å; R276-E313 IonicContact NH2-OE1 3.36Å; R276-E313 PolarHBondContact NH2-OE1 3.31Å; R276-E313 IonicContact NH2-OE2 3.17Å; R276-E313 PolarHBondContact NH2-OE2 3.12Å; D309-E313 PolarHBondContact O-N 3.28Å; D309-E313 VanDerWaalsContact O-N 3.14Å; L310-E313 PolarHBondContact O-N 2.69Å; S311-E313 VanDerWaalsContact C-N 3.26Å; S311-E313 PolarHBondContact O-N 3.03Å; E313-I315 HydrophobicContact CB-CD1 4.16Å; E313-I315 HydrophobicContact CB-CG1 4.38Å; E313-I315 PolarHBondContact O-N 2.98Å
314E84.3Confident89.4Confident170 Ų17057.1 Ų57.179%0.79432%0.315SS*.THydrogen-bonded Turntrans64.317.1-176.8-54.5-175.3160.100114.9S311 A312 R338S311-E314 PolarHBondContact O-N 2.83Å; S311-E314 VanDerWaalsContact O-N 3.14Å; A312-E314 PolarHBondContact O-N 2.85Å; E314-R338 PolarHBondContact O-NH1 2.86Å
315I88.6Confident89.7Confident17 Ų1759 Ų599%0.08732%0.323CS..  trans-93.5114.4176-53.9163.4000108.7F272 L284 V286 L310 S311 E313 V317F272-I315 HydrophobicContact CZ-CD1 4.01Å; L284-I315 HydrophobicContact CD2-CD1 3.73Å; L284-I315 HydrophobicContact CD2-CG1 4.07Å; L284-I315 HydrophobicContact CD2-CG2 3.85Å; L284-I315 HydrophobicContact CG-CG2 3.99Å; V286-I315 HydrophobicContact CB-CG2 4.44Å; V286-I315 HydrophobicContact CG2-CG2 3.74Å; L310-I315 HydrophobicContact CD2-CD1 4.43Å; L310-I315 WeakPolarHBondContact O-CB 3.33Å; L310-I315 PolarHBondContact O-N 2.69Å; S311-I315 WeakPolarHBondContact CA-O 3.33Å; E313-I315 HydrophobicContact CB-CD1 4.16Å; E313-I315 HydrophobicContact CB-CG1 4.38Å; E313-I315 PolarHBondContact O-N 2.98Å; I315-V317 PolarHBondContact O-N 3.17Å
316P92Very high89.8Confident23 Ų2358.9 Ų58.915%0.14933%0.325CS..  trans-70.4129.2-17830.7-36.6000109.6I285 V286 R338I285-P316 HydrophobicContact CB-CG 4.26Å; I285-P316 HydrophobicContact CD1-CG 4.37Å; I285-P316 HydrophobicContact CG1-CG 3.8Å; I285-P316 HydrophobicContact CG2-CG 4.17Å; V286-P316 PolarHBondContact N-O 3.13Å; P316-R338 VanDerWaalsContact CG-CZ 3.41Å
317V93.8Very high90.1Very high32 Ų3258.5 Ų58.519%0.19433%0.327CS..EExtended strand (participates in β ladder)trans-100.5123.3170.5-176.80000108.2V286 I296 F307 L310 I315V286-V317 HydrophobicContact CB-CG2 4.26Å; V286-V317 HydrophobicContact CG1-CG2 4.47Å; V286-V317 WeakPolarHBondContact O-CA 3.38Å; I296-V317 HydrophobicContact CD1-CG1 3.96Å; F307-V317 HydrophobicContact CB-CG1 4.39Å; F307-V317 HydrophobicContact CD1-CG1 3.71Å; F307-V317 HydrophobicContact CD1-CG2 4.36Å; F307-V317 HydrophobicContact CE1-CG1 4.42Å; F307-V317 HydrophobicContact CG-CG1 4.35Å; L310-V317 HydrophobicContact CB-CG2 4.14Å; I315-V317 PolarHBondContact O-N 3.17Å
318I93.6Very high90.3Very high29 Ų2958.6 Ų58.615%0.14933%0.328CS..EExtended strand (participates in β ladder)trans-125.2127.5179.6-57.3173000109.6I285 V286 A288 T320 V331 E334I285-I318 HydrophobicContact CG2-CD1 4.35Å; V286-I318 PolarHBondContact O-N 3.3Å; A288-I318 PolarHBondContact N-O 3.49Å; I318-T320 HydrophobicContact CG2-CG2 4.36Å; I318-V331 HydrophobicContact CB-CG2 3.74Å; I318-V331 HydrophobicContact CD1-CG2 4.05Å; I318-V331 HydrophobicContact CG1-CG2 4.48Å; I318-V331 HydrophobicContact CG2-CG2 3.52Å; I318-E334 HydrophobicContact CD1-CB 4.08Å; I318-E334 HydrophobicContact CD1-CG 4.18Å
319E93.9Very high90.6Very high77 Ų7761.9 Ų61.936%0.3634%0.336SS..EExtended strand (participates in β ladder)trans-71.8133.4170.8-69.4-172.5149.600111.3A288 C291 I296A288-E319 CarbonylContact O-C 3.55Å; C291-E319 HydrophobicContact CB-CB 4.33Å; C291-E319 WeakPolarHBondContact SG-CB 3.5Å; I296-E319 WeakPolarHBondContact CB-OE1 3.36Å; I296-E319 HydrophobicContact CD1-CG 3.48Å; I296-E319 VanDerWaalsContact CD1-CG 3.48Å; I296-E319 HydrophobicContact CG1-CG 3.87Å; I296-E319 WeakPolarHBondContact CG1-OE1 3.44Å; I296-E319 PolarHBondContact N-OE1 2.92Å
320T94.3Very high90.9Very high1 Ų163.9 Ų63.91%0.00634%0.34CS..  trans-141.3148.6179.857.90000111.6V287 A288 N289 K290 C291 I318 E326 V331V287-T320 HydrophobicContact CG1-CG2 3.69Å; V287-T320 WeakPolarHBondContact CG1-OG1 3.34Å; A288-T320 PolarHBondContact O-N 3.01Å; A288-T320 PolarHBondContact O-OG1 3.17Å; N289-T320 CarbonylContact C-O 3.5Å; N289-T320 VanDerWaalsContact CA-O 3.31Å; N289-T320 WeakPolarHBondContact CA-O 3.21Å; N289-T320 WeakPolarHBondContact CA-OG1 3.26Å; N289-T320 PolarHBondContact OD1-O 3.38Å; K290-T320 PolarHBondContact N-O 3.32Å; K290-T320 VanDerWaalsContact N-O 3.12Å; C291-T320 PolarHBondContact N-O 3.45Å; C291-T320 PolarHBondContact SG-O 3.18Å; I318-T320 HydrophobicContact CG2-CG2 4.36Å; T320-E326 WeakPolarHBondContact CA-O 3.34Å; T320-V331 HydrophobicContact CG2-CB 4.32Å; T320-V331 HydrophobicContact CG2-CG2 3.31Å
321S94.3Very high91.3Very high1 Ų163.5 Ų63.51%0.00734%0.338CS..  trans-133.6125.6165.1175.40000109.6D292 L323 T324 E325 E326D292-S321 VanDerWaalsContact CG-OG 3.26Å; D292-S321 WeakPolarHBondContact OD1-CB 3.44Å; D292-S321 PolarHBondContact OD1-OG 3.42Å; S321-L323 PolarHBondContact O-N 3.2Å; S321-L323 PolarHBondContact OG-N 3.4Å; S321-L323 VanDerWaalsContact OG-N 3.16Å; S321-T324 VanDerWaalsContact CB-OG1 3.26Å; S321-T324 WeakPolarHBondContact CB-OG1 3.46Å; S321-T324 PolarHBondContact OG-N 2.91Å; S321-T324 PolarHBondContact OG-OG1 2.95Å; S321-E325 CarbonylContact O-C 3.57Å; S321-E325 WeakPolarHBondContact O-CA 3.4Å; S321-E325 PolarHBondContact O-N 3.14Å; S321-E326 PolarHBondContact N-O 3.38Å
322T90.9Very high91.7Very high23 Ų2362.6 Ų62.614%0.14133%0.326CS..THydrogen-bonded Turntrans-75.8-12171.853.30000112.9F184 K187F184-T322 HydrophobicContact CB-CG2 4.15Å; K187-T322 VanDerWaalsContact CE-O 3.29Å; K187-T322 WeakPolarHBondContact CE-O 3.36Å
323L90.2Very high92.1Very high130 Ų13060.8 Ų60.868%0.68131%0.307SS*.THydrogen-bonded Turntrans-85.7-50.9177.8-176.863.7000111.2D292 S321D292-L323 WeakPolarHBondContact OD2-CD2 3.34Å; S321-L323 PolarHBondContact O-N 3.2Å; S321-L323 PolarHBondContact OG-N 3.4Å; S321-L323 VanDerWaalsContact OG-N 3.16Å
324T91.4Very high92.6Very high69 Ų6959.9 Ų59.942%0.42330%0.302SS..THydrogen-bonded Turntrans-87.7-9.3178.963.10000113.4D292 S321 E326D292-T324 HydrophobicContact CB-CG2 4.2Å; S321-T324 VanDerWaalsContact CB-OG1 3.26Å; S321-T324 WeakPolarHBondContact CB-OG1 3.46Å; S321-T324 PolarHBondContact OG-N 2.91Å; S321-T324 PolarHBondContact OG-OG1 2.95Å; T324-E326 PolarHBondContact O-N 2.7Å; T324-E326 WeakPolarHBondContact OG1-CG 3.4Å
325E91.4Very high93.1Very high110 Ų11051.8 Ų51.851%0.51427%0.265SS..  trans64.510.6-175.5-52.8-175.8174.400114.3K187 S321K187-E325 HydrophobicContact CD-CG 4.42Å; K187-E325 IonicContact NZ-OE1 3.8Å; K187-E325 PolarHBondContact NZ-OE1 3.24Å; S321-E325 CarbonylContact O-C 3.57Å; S321-E325 WeakPolarHBondContact O-CA 3.4Å; S321-E325 PolarHBondContact O-N 3.14Å
326E91.8Very high93.5Very high123 Ų12351 Ų5158%0.57526%0.261SS*.THydrogen-bonded Turntrans-67.6136174.1-67.9-178.4-178.900110.8T320 S321 T324 V328T320-E326 WeakPolarHBondContact CA-O 3.34Å; S321-E326 PolarHBondContact N-O 3.38Å; T324-E326 PolarHBondContact O-N 2.7Å; T324-E326 WeakPolarHBondContact OG1-CG 3.4Å; E326-V328 PolarHBondContact O-N 2.77Å
327G91.8Very high93.6Very high15 Ų1552 Ų5216%0.15527%0.265CS..THydrogen-bonded Turntrans76.5-17.8175.200000116.1I329 K330 V331G327-I329 PolarHBondContact O-N 2.73Å; G327-K330 WeakPolarHBondContact O-CB 3.21Å; G327-K330 PolarHBondContact O-N 2.78Å; G327-K330 VanDerWaalsContact O-N 3.07Å; G327-V331 PolarHBondContact O-N 2.94Å
328V93.6Very high93.7Very high10 Ų1054.7 Ų54.76%0.06127%0.272CS..Hα-helixtrans-57.2-45.9-177.31780000112.1F184 K187 V188 E326 K332F184-V328 HydrophobicContact CD2-CG1 4.36Å; F184-V328 HydrophobicContact CE2-CG1 3.97Å; K187-V328 HydrophobicContact CB-CG1 4.46Å; V188-V328 HydrophobicContact CG2-CG1 3.48Å; V188-V328 VanDerWaalsContact CG2-CG1 3.48Å; E326-V328 PolarHBondContact O-N 2.77Å; V328-K332 PolarHBondContact O-N 2.63Å; V328-K332 VanDerWaalsContact O-N 3.11Å
329I94.1Very high93.7Very high124 Ų12453.6 Ų53.664%0.63627%0.266SS*.Hα-helixtrans-69-36.7178.8-60.1172.3000111.1G327 K332 T333G327-I329 PolarHBondContact O-N 2.73Å; I329-K332 WeakPolarHBondContact O-CB 3.33Å; I329-K332 PolarHBondContact O-N 3.31Å; I329-T333 HydrophobicContact CG2-CG2 4.33Å; I329-T333 WeakPolarHBondContact O-CG2 3.35Å; I329-T333 PolarHBondContact O-N 3.01Å; I329-T333 PolarHBondContact O-OG1 3.49Å
330K95.3Very high93.8Very high148 Ų14851.2 Ų51.264%0.64326%0.255SS*.Hα-helixtrans-62.9-45.3178.8-64.8-178.9179.8175.10111G327 K332 T333 E334G327-K330 WeakPolarHBondContact O-CB 3.21Å; G327-K330 PolarHBondContact O-N 2.78Å; G327-K330 VanDerWaalsContact O-N 3.07Å; K330-K332 VanDerWaalsContact C-N 3.35Å; K330-K332 PolarHBondContact O-N 2.98Å; K330-T333 PolarHBondContact O-N 2.98Å; K330-T333 PolarHBondContact O-OG1 3.34Å; K330-E334 WeakPolarHBondContact O-CB 3.39Å; K330-E334 PolarHBondContact O-N 3.37Å
331V95Very high93.8Very high0 Ų053.7 Ų53.70%028%0.276CS..Hα-helixtrans-60.1-46.2174171.90000110.9F184 L252 V287 I318 T320 G327 T333 E334 A335F184-V331 HydrophobicContact CE2-CB 4.39Å; F184-V331 HydrophobicContact CE2-CG1 4.21Å; F184-V331 HydrophobicContact CZ-CB 4.24Å; F184-V331 HydrophobicContact CZ-CG1 3.76Å; L252-V331 HydrophobicContact CD2-CG1 3.35Å; V287-V331 HydrophobicContact CG1-CG2 4.29Å; V287-V331 HydrophobicContact CG2-CG1 3.67Å; V287-V331 HydrophobicContact CG2-CG2 4.13Å; I318-V331 HydrophobicContact CB-CG2 3.74Å; I318-V331 HydrophobicContact CD1-CG2 4.05Å; I318-V331 HydrophobicContact CG1-CG2 4.48Å; I318-V331 HydrophobicContact CG2-CG2 3.52Å; T320-V331 HydrophobicContact CG2-CB 4.32Å; T320-V331 HydrophobicContact CG2-CG2 3.31Å; G327-V331 PolarHBondContact O-N 2.94Å; V331-T333 VanDerWaalsContact C-N 3.35Å; V331-T333 PolarHBondContact O-N 3.41Å; V331-E334 PolarHBondContact O-N 2.97Å; V331-A335 WeakPolarHBondContact O-CB 3.21Å; V331-A335 PolarHBondContact O-N 3.29Å
332K94.2Very high93.7Very high43 Ų4356.9 Ų56.919%0.18729%0.291CS..Hα-helixtrans-55.7-48.7176.8174.1-174.6171.1175.10111.5V188 M210 D211 V328 I329 K330 C336V188-K332 HydrophobicContact CG1-CD 4.29Å; M210-K332 HydrophobicContact CE-CG 4.06Å; M210-K332 HydrophobicContact SD-CD 3.82Å; M210-K332 VanDerWaalsContact SD-CE 3.5Å; M210-K332 HydrophobicContact SD-CG 3.89Å; D211-K332 PolarHBondContact O-NZ 3.22Å; D211-K332 VanDerWaalsContact O-NZ 3.11Å; V328-K332 PolarHBondContact O-N 2.63Å; V328-K332 VanDerWaalsContact O-N 3.11Å; I329-K332 WeakPolarHBondContact O-CB 3.33Å; I329-K332 PolarHBondContact O-N 3.31Å; K330-K332 VanDerWaalsContact C-N 3.35Å; K330-K332 PolarHBondContact O-N 2.98Å; K332-C336 WeakPolarHBondContact O-CB 3.36Å; K332-C336 PolarHBondContact O-N 3.39Å; K332-C336 VanDerWaalsContact O-N 3.14Å; K332-C336 PolarHBondContact O-SG 2.93Å
333T95.6Very high93.7Very high44 Ų4458.1 Ų58.127%0.2729%0.293SS..Hα-helixtrans-66.1-47.7-177.753.10000112Y212 I329 K330 V331 A335 C336 D337Y212-T333 HydrophobicContact CE2-CG2 3.65Å; I329-T333 HydrophobicContact CG2-CG2 4.33Å; I329-T333 WeakPolarHBondContact O-CG2 3.35Å; I329-T333 PolarHBondContact O-N 3.01Å; I329-T333 PolarHBondContact O-OG1 3.49Å; K330-T333 PolarHBondContact O-N 2.98Å; K330-T333 PolarHBondContact O-OG1 3.34Å; V331-T333 VanDerWaalsContact C-N 3.35Å; V331-T333 PolarHBondContact O-N 3.41Å; T333-A335 PolarHBondContact O-N 2.91Å; T333-C336 PolarHBondContact O-N 3.24Å; T333-D337 WeakPolarHBondContact O-CB 3.44Å; T333-D337 PolarHBondContact O-N 3.02Å
334E95.3Very high93.8Very high68 Ų6855.4 Ų55.432%0.31828%0.282SS..Hα-helixtrans-63-44.7-178.4-171.466.6-164.300111.3I285 I318 K330 V331 C336 D337 R338I285-E334 HydrophobicContact CD1-CB 4.07Å; I285-E334 HydrophobicContact CD1-CG 3.81Å; I318-E334 HydrophobicContact CD1-CB 4.08Å; I318-E334 HydrophobicContact CD1-CG 4.18Å; K330-E334 WeakPolarHBondContact O-CB 3.39Å; K330-E334 PolarHBondContact O-N 3.37Å; V331-E334 PolarHBondContact O-N 2.97Å; E334-C336 VanDerWaalsContact C-N 3.34Å; E334-C336 PolarHBondContact O-N 3.27Å; E334-D337 PolarHBondContact O-N 3.12Å; E334-R338 WeakPolarHBondContact O-CB 3.48Å; E334-R338 WeakPolarHBondContact O-CG 3.4Å; E334-R338 PolarHBondContact O-N 3.29Å; E334-R338 IonicContact OE1-CZ 2.99Å; E334-R338 IonicContact OE1-NE 3.35Å; E334-R338 PolarHBondContact OE1-NE 3.26Å; E334-R338 IonicContact OE1-NH2 3.56Å; E334-R338 PolarHBondContact OE1-NH2 3.33Å
335A95.1Very high93.8Very high1 Ų156.7 Ų56.71%0.00829%0.286CS..Hα-helixtrans-61.1-43.3177.600000112.3L171 L252 I285 V331 T333 L339L171-A335 HydrophobicContact CD1-CB 4.21Å; L171-A335 HydrophobicContact CD2-CB 3.84Å; L252-A335 HydrophobicContact CD2-CB 4.16Å; I285-A335 HydrophobicContact CD1-CB 3.73Å; I285-A335 VanDerWaalsContact CD1-N 3.34Å; V331-A335 WeakPolarHBondContact O-CB 3.21Å; V331-A335 PolarHBondContact O-N 3.29Å; T333-A335 PolarHBondContact O-N 2.91Å; A335-L339 WeakPolarHBondContact O-CB 3.36Å; A335-L339 PolarHBondContact O-N 3.16Å
336C95.6Very high93.8Very high0 Ų055.8 Ų55.80%029%0.288CS..Hα-helixtrans-67.8-45.7179.4-69.70000111.6M210 Y212 W217 K332 T333 E334 L339 L340M210-C336 WeakPolarHBondContact CE-SG 3.34Å; Y212-C336 HydrophobicContact CD1-CB 3.33Å; Y212-C336 HydrophobicContact CE1-CB 3.46Å; Y212-C336 VanDerWaalsContact CE1-CB 3.46Å; Y212-C336 HydrophobicContact CG-CB 4.22Å; W217-C336 VanDerWaalsContact CH2-CA 3.46Å; W217-C336 HydrophobicContact CH2-CB 3.67Å; W217-C336 VanDerWaalsContact CH2-O 3.25Å; W217-C336 WeakPolarHBondContact CH2-O 3.49Å; W217-C336 HydrophobicContact CZ2-CB 3.71Å; W217-C336 HydrophobicContact CZ3-CB 4.06Å; K332-C336 WeakPolarHBondContact O-CB 3.36Å; K332-C336 PolarHBondContact O-N 3.39Å; K332-C336 VanDerWaalsContact O-N 3.14Å; K332-C336 PolarHBondContact O-SG 2.93Å; T333-C336 PolarHBondContact O-N 3.24Å; E334-C336 VanDerWaalsContact C-N 3.34Å; E334-C336 PolarHBondContact O-N 3.27Å; C336-L339 PolarHBondContact O-N 3.43Å; C336-L340 WeakPolarHBondContact O-CB 3.33Å; C336-L340 VanDerWaalsContact O-CG 3.28Å; C336-L340 WeakPolarHBondContact O-CG 3.29Å; C336-L340 PolarHBondContact O-N 3.43Å
337D95.6Very high93.8Very high44 Ų4455.7 Ų55.724%0.23529%0.286CS..Hα-helixtrans-67.5-40.8-175.9-74.6-19.6000112Y212 R213 T333 E334 L339 L340 A341Y212-D337 WeakPolarHBondContact CE1-OD1 3.45Å; Y212-D337 PolarHBondContact OH-OD1 3.28Å; Y212-D337 PolarHBondContact OH-OD2 3.15Å; R213-D337 IonicContact CZ-OD1 3.59Å; R213-D337 IonicContact CZ-OD2 4Å; R213-D337 IonicContact NE-OD1 3.91Å; R213-D337 PolarHBondContact NE-OD1 3.01Å; R213-D337 IonicContact NE-OD2 3.8Å; R213-D337 IonicContact NH1-OD1 3Å; R213-D337 IonicContact NH2-OD1 2.73Å; R213-D337 PolarHBondContact NH2-OD1 2.93Å; R213-D337 IonicContact NH2-OD2 2.97Å; R213-D337 PolarHBondContact NH2-OD2 3.15Å; T333-D337 WeakPolarHBondContact O-CB 3.44Å; T333-D337 PolarHBondContact O-N 3.02Å; E334-D337 PolarHBondContact O-N 3.12Å; D337-L339 PolarHBondContact O-N 3.32Å; D337-L340 PolarHBondContact O-N 3.42Å; D337-A341 WeakPolarHBondContact O-CB 3.43Å; D337-A341 PolarHBondContact O-N 2.75Å
338R94.1Very high93.8Very high89 Ų8960.1 Ų60.134%0.33631%0.305SS..Hα-helixtrans-61-45.2173.1-72.7-174.6176.4-134.2-1.2112.4P283 E314 P316 E334 L340 A341 Q342P283-R338 HydrophobicContact CB-CB 4.09Å; E314-R338 PolarHBondContact O-NH1 2.86Å; P316-R338 VanDerWaalsContact CG-CZ 3.41Å; E334-R338 WeakPolarHBondContact O-CB 3.48Å; E334-R338 WeakPolarHBondContact O-CG 3.4Å; E334-R338 PolarHBondContact O-N 3.29Å; E334-R338 IonicContact OE1-CZ 2.99Å; E334-R338 IonicContact OE1-NE 3.35Å; E334-R338 PolarHBondContact OE1-NE 3.26Å; E334-R338 IonicContact OE1-NH2 3.56Å; E334-R338 PolarHBondContact OE1-NH2 3.33Å; R338-L340 VanDerWaalsContact C-N 3.32Å; R338-L340 PolarHBondContact O-N 3.33Å; R338-A341 PolarHBondContact O-N 3.15Å; R338-Q342 PolarHBondContact O-N 3.48Å; R338-Q342 VanDerWaalsContact O-N 3.11Å
339L95.1Very high93.7Very high5 Ų568.6 Ų68.63%0.02634%0.341CS..Hα-helixtrans-65.8-36.9176.9-172.465.9000111.8R169 T170 W217 A250 P283 A335 C336 D337 R343R169-L339 HydrophobicContact CB-CD2 4.33Å; T170-L339 WeakPolarHBondContact O-CD2 3.37Å; W217-L339 HydrophobicContact CE3-CD2 4.37Å; W217-L339 HydrophobicContact CH2-CB 4.12Å; W217-L339 HydrophobicContact CH2-CD2 4.09Å; W217-L339 HydrophobicContact CH2-CG 4.45Å; W217-L339 HydrophobicContact CZ3-CB 4.09Å; W217-L339 HydrophobicContact CZ3-CD2 3.47Å; W217-L339 VanDerWaalsContact CZ3-CD2 3.47Å; W217-L339 HydrophobicContact CZ3-CG 4.25Å; A250-L339 HydrophobicContact CB-CB 4.09Å; A250-L339 HydrophobicContact CB-CD1 4.45Å; A250-L339 HydrophobicContact CB-CD2 4.41Å; P283-L339 HydrophobicContact CG-CB 4.15Å; P283-L339 HydrophobicContact CG-CD1 3.69Å; A335-L339 WeakPolarHBondContact O-CB 3.36Å; A335-L339 PolarHBondContact O-N 3.16Å; C336-L339 PolarHBondContact O-N 3.43Å; D337-L339 PolarHBondContact O-N 3.32Å; L339-R343 HydrophobicContact CD1-CG 4.49Å; L339-R343 HydrophobicContact CG-CG 4.44Å; L339-R343 VanDerWaalsContact O-CB 3.29Å; L339-R343 WeakPolarHBondContact O-CB 3.48Å; L339-R343 VanDerWaalsContact O-CG 3.28Å; L339-R343 WeakPolarHBondContact O-CG 3.3Å; L339-R343 PolarHBondContact O-N 3.48Å
340L95.3Very high93.6Very high27 Ų2764.2 Ų64.214%0.14133%0.327CS..Hα-helixtrans-64.3-46.1175.7-75.4176.2000111.4L215 W217 C336 D337 R338 Q342 R343 V344L215-L340 HydrophobicContact CD1-CD2 3.94Å; W217-L340 HydrophobicContact CH2-CD2 4.16Å; W217-L340 HydrophobicContact CH2-CG 3.86Å; W217-L340 HydrophobicContact CZ2-CD1 3.99Å; W217-L340 HydrophobicContact CZ2-CD2 3.81Å; W217-L340 HydrophobicContact CZ2-CG 3.67Å; C336-L340 WeakPolarHBondContact O-CB 3.33Å; C336-L340 VanDerWaalsContact O-CG 3.28Å; C336-L340 WeakPolarHBondContact O-CG 3.29Å; C336-L340 PolarHBondContact O-N 3.43Å; D337-L340 PolarHBondContact O-N 3.42Å; R338-L340 VanDerWaalsContact C-N 3.32Å; R338-L340 PolarHBondContact O-N 3.33Å; L340-Q342 PolarHBondContact O-N 3.3Å; L340-R343 PolarHBondContact O-N 3.09Å; L340-V344 WeakPolarHBondContact O-CB 3.29Å; L340-V344 VanDerWaalsContact O-CG2 3.26Å; L340-V344 WeakPolarHBondContact O-CG2 3.11Å; L340-V344 PolarHBondContact O-N 3.49Å
341A93.6Very high93.4Very high54 Ų5466 Ų6645%0.44633%0.334SS..Hα-helixtrans-56.9-50.6177.800000111.2D337 R338 R343 V344 N345D337-A341 WeakPolarHBondContact O-CB 3.43Å; D337-A341 PolarHBondContact O-N 2.75Å; R338-A341 PolarHBondContact O-N 3.15Å; A341-R343 PolarHBondContact O-N 3.02Å; A341-V344 PolarHBondContact O-N 3.27Å; A341-N345 WeakPolarHBondContact O-CB 3.18Å; A341-N345 VanDerWaalsContact O-CG 3.26Å; A341-N345 PolarHBondContact O-N 3.35Å; A341-N345 PolarHBondContact O-ND2 2.9Å
342Q92.1Very high93.1Very high68 Ų6874.2 Ų74.232%0.31837%0.37SS..Hα-helixtrans-60.6-44.7177.3-167.9-170.7-0.300112.1N281 R338 L340 N345 T346N281-Q342 PolarHBondContact O-NE2 3.02Å; R338-Q342 PolarHBondContact O-N 3.48Å; R338-Q342 VanDerWaalsContact O-N 3.11Å; L340-Q342 PolarHBondContact O-N 3.3Å; Q342-N345 WeakPolarHBondContact O-CB 3.04Å; Q342-N345 PolarHBondContact O-N 3.46Å; Q342-T346 PolarHBondContact O-N 2.95Å; Q342-T346 PolarHBondContact O-OG1 3.21Å; Q342-T346 VanDerWaalsContact O-OG1 3.06Å
343R92.2Very high92.9Very high49 Ų4973.9 Ų73.919%0.18537%0.371CS..Hα-helixtrans-66-39.2179.8-79.9-172.7149-138.6-12.4113.1N167 T168 L339 L340 A341 N345 T346 K347N167-R343 PolarHBondContact O-NH2 3.24Å; T168-R343 PolarHBondContact O-NH2 3.29Å; T168-R343 VanDerWaalsContact O-NH2 3.09Å; L339-R343 HydrophobicContact CD1-CG 4.49Å; L339-R343 HydrophobicContact CG-CG 4.44Å; L339-R343 VanDerWaalsContact O-CB 3.29Å; L339-R343 WeakPolarHBondContact O-CB 3.48Å; L339-R343 VanDerWaalsContact O-CG 3.28Å; L339-R343 WeakPolarHBondContact O-CG 3.3Å; L339-R343 PolarHBondContact O-N 3.48Å; L340-R343 PolarHBondContact O-N 3.09Å; A341-R343 PolarHBondContact O-N 3.02Å; R343-N345 VanDerWaalsContact C-N 3.35Å; R343-T346 PolarHBondContact O-N 3.13Å; R343-K347 WeakPolarHBondContact O-CG 3.42Å; R343-K347 PolarHBondContact O-N 3.32Å
344V92.3Very high92.6Very high73 Ų7378.1 Ų78.144%0.44239%0.388SS..Hα-helixtrans-64.2-44.3175.6169.30000109.3L340 A341 T346 K347 I348L340-V344 WeakPolarHBondContact O-CB 3.29Å; L340-V344 VanDerWaalsContact O-CG2 3.26Å; L340-V344 WeakPolarHBondContact O-CG2 3.11Å; L340-V344 PolarHBondContact O-N 3.49Å; A341-V344 PolarHBondContact O-N 3.27Å; V344-T346 PolarHBondContact O-N 2.9Å; V344-K347 CarbonylContact O-C 3.53Å; V344-K347 WeakPolarHBondContact O-CA 3.23Å; V344-K347 WeakPolarHBondContact O-CB 3.43Å; V344-K347 PolarHBondContact O-N 2.89Å; V344-I348 HydrophobicContact CG1-CD1 3.64Å; V344-I348 HydrophobicContact CG1-CG1 4.2Å; V344-I348 WeakPolarHBondContact O-CG1 3.49Å; V344-I348 PolarHBondContact O-N 3.41Å
345N92.1Very high92.5Very high95 Ų9580.7 Ų80.751%0.50840%0.404SS..Hα-helixtrans-58.6-43.8174.6-70.9-17.4000112.3A341 Q342 R343 K347 I348 K349A341-N345 WeakPolarHBondContact O-CB 3.18Å; A341-N345 VanDerWaalsContact O-CG 3.26Å; A341-N345 PolarHBondContact O-N 3.35Å; A341-N345 PolarHBondContact O-ND2 2.9Å; Q342-N345 WeakPolarHBondContact O-CB 3.04Å; Q342-N345 PolarHBondContact O-N 3.46Å; R343-N345 VanDerWaalsContact C-N 3.35Å; N345-K347 VanDerWaalsContact C-N 3.31Å; N345-K347 PolarHBondContact O-N 3.45Å; N345-I348 PolarHBondContact O-N 2.82Å; N345-K349 WeakPolarHBondContact O-CG 3.28Å; N345-K349 PolarHBondContact O-N 3.28Å
346T91.3Very high92.4Very high92 Ų9283.4 Ų83.456%0.56442%0.42SS*.Hα-helixtrans-62.3-37.9173.9-51.50000112.3Q342 R343 V344 G350Q342-T346 PolarHBondContact O-N 2.95Å; Q342-T346 PolarHBondContact O-OG1 3.21Å; Q342-T346 VanDerWaalsContact O-OG1 3.06Å; R343-T346 PolarHBondContact O-N 3.13Å; V344-T346 PolarHBondContact O-N 2.9Å; T346-G350 PolarHBondContact O-N 3.1Å
347K90.8Very high92.2Very high120 Ų12087.4 Ų87.452%0.52244%0.441SS..Hα-helixtrans-69.6-43.2178-77-178.2177.7-1720112.3R343 V344 N345 K349 G350 V353R343-K347 WeakPolarHBondContact O-CG 3.42Å; R343-K347 PolarHBondContact O-N 3.32Å; V344-K347 CarbonylContact O-C 3.53Å; V344-K347 WeakPolarHBondContact O-CA 3.23Å; V344-K347 WeakPolarHBondContact O-CB 3.43Å; V344-K347 PolarHBondContact O-N 2.89Å; N345-K347 VanDerWaalsContact C-N 3.31Å; N345-K347 PolarHBondContact O-N 3.45Å; K347-K349 VanDerWaalsContact C-N 3.3Å; K347-K349 PolarHBondContact O-N 3.1Å; K347-G350 CarbonylContact O-C 3.5Å; K347-G350 VanDerWaalsContact O-CA 3.31Å; K347-G350 WeakPolarHBondContact O-CA 3.5Å; K347-G350 PolarHBondContact O-N 2.9Å; K347-G350 VanDerWaalsContact O-O 3.05Å; K347-V353 HydrophobicContact CB-CG2 4.13Å; K347-V353 WeakPolarHBondContact O-CG2 3.15Å
348I91.8Very high92.1Very high109 Ų10990.9 Ų90.956%0.55946%0.459SS*.Hα-helixtrans-61-40176.8-68.2169.3000110.9V344 N345 G350V344-I348 HydrophobicContact CG1-CD1 3.64Å; V344-I348 HydrophobicContact CG1-CG1 4.2Å; V344-I348 WeakPolarHBondContact O-CG1 3.49Å; V344-I348 PolarHBondContact O-N 3.41Å; N345-I348 PolarHBondContact O-N 2.82Å; I348-G350 PolarHBondContact O-N 3.33Å
349K92.2Very high92.1Very high188 Ų18896.7 Ų96.782%0.81748%0.481SS*.THydrogen-bonded Turntrans-62.8-21.9171.7-71.7178.9179.9-174.50112.9N345 K347N345-K349 WeakPolarHBondContact O-CG 3.28Å; N345-K349 PolarHBondContact O-N 3.28Å; K347-K349 VanDerWaalsContact C-N 3.3Å; K347-K349 PolarHBondContact O-N 3.1Å
350G91.8Very high92Very high32 Ų32102.6 Ų102.633%0.3351%0.512SS..SBendtrans-89.815917700000113.2T346 K347 I348 K352T346-G350 PolarHBondContact O-N 3.1Å; K347-G350 CarbonylContact O-C 3.5Å; K347-G350 VanDerWaalsContact O-CA 3.31Å; K347-G350 WeakPolarHBondContact O-CA 3.5Å; K347-G350 PolarHBondContact O-N 2.9Å; K347-G350 VanDerWaalsContact O-O 3.05Å; I348-G350 PolarHBondContact O-N 3.33Å; G350-K352 VanDerWaalsContact C-N 3.31Å; G350-K352 PolarHBondContact O-N 3.31Å
351K90.6Very high91.9Very high185 Ų185107.8 Ų107.880%0.80454%0.536SS*.G310 helixtrans-75.1-16.5-179-63.3-177.4177.8-177.20114.6V353 H354K351-V353 PolarHBondContact O-N 3.46Å; K351-H354 PolarHBondContact O-CD2 3.43Å; K351-H354 PolarHBondContact O-N 3.3Å
352K88.1Confident92Very high172 Ų172112 Ų11275%0.74855%0.55SS*.G310 helixtrans-69.7-10.6-173.6-67.2-172.4172.7-178.20114.7G350 H354G350-K352 VanDerWaalsContact C-N 3.31Å; G350-K352 PolarHBondContact O-N 3.31Å; K352-H354 VanDerWaalsContact C-N 3.31Å
353V91.1Very high92Very high36 Ų36112.3 Ų112.322%0.21856%0.564CS.*G310 helixtrans-69.8-33.4177.31720000110.7K347 K351 D355 V356 L357K347-V353 HydrophobicContact CB-CG2 4.13Å; K347-V353 WeakPolarHBondContact O-CG2 3.15Å; K351-V353 PolarHBondContact O-N 3.46Å; V353-D355 VanDerWaalsContact C-N 3.27Å; V353-D355 PolarHBondContact O-N 3.41Å; V353-V356 WeakPolarHBondContact O-CG2 3.32Å; V353-V356 PolarHBondContact O-N 2.81Å; V353-V356 VanDerWaalsContact O-N 3.09Å; V353-L357 HydrophobicContact CG1-CD2 4.21Å; V353-L357 WeakPolarHBondContact O-CG 3.32Å; V353-L357 PolarHBondContact O-N 3.49Å
354H89.5Confident92.1Very high134 Ų134117.9 Ų117.962%0.6259%0.594SS**G310 helixtrans-59.3-37.5179.5-65.8-64.1000112.9K351 K352 V356 L357K351-H354 PolarHBondContact O-CD2 3.43Å; K351-H354 PolarHBondContact O-N 3.3Å; K352-H354 VanDerWaalsContact C-N 3.31Å; H354-V356 PolarHBondContact O-N 3.23Å; H354-L357 HydrophobicContact CB-CD1 4.45Å; H354-L357 PolarHBondContact O-N 2.89Å
355D92.4Very high91.9Very high122 Ų122120.3 Ų120.365%0.65261%0.612SS**G310 helixtrans-64.6-20.8179.5-56.8-22.7000113.6V353 N358V353-D355 VanDerWaalsContact C-N 3.27Å; V353-D355 PolarHBondContact O-N 3.41Å; D355-N358 PolarHBondContact O-OD1 3.29Å
356V93.1Very high91.8Very high57 Ų57120.2 Ų120.235%0.34562%0.624SS.*G310 helixtrans-111.9-0.2-176.6-63.10000113.6V353 H354 N358 R359 L360V353-V356 WeakPolarHBondContact O-CG2 3.32Å; V353-V356 PolarHBondContact O-N 2.81Å; V353-V356 VanDerWaalsContact O-N 3.09Å; H354-V356 PolarHBondContact O-N 3.23Å; V356-N358 VanDerWaalsContact C-N 3.26Å; V356-N358 PolarHBondContact O-N 3.45Å; V356-R359 WeakPolarHBondContact O-CB 3.47Å; V356-R359 PolarHBondContact O-N 2.99Å; V356-L360 HydrophobicContact CG2-CD1 4.42Å; V356-L360 PolarHBondContact O-N 2.8Å
357L92.6Very high91.6Very high84 Ų84126 Ų12644%0.4464%0.642SS.*Hα-helixtrans-59.4-37-179.9-77174.3000112.3V353 H354 R359 L360 H361V353-L357 HydrophobicContact CG1-CD2 4.21Å; V353-L357 WeakPolarHBondContact O-CG 3.32Å; V353-L357 PolarHBondContact O-N 3.49Å; H354-L357 HydrophobicContact CB-CD1 4.45Å; H354-L357 PolarHBondContact O-N 2.89Å; L357-R359 PolarHBondContact O-N 3.35Å; L357-L360 PolarHBondContact O-N 3.06Å; L357-L360 VanDerWaalsContact O-N 3.12Å; L357-H361 PolarHBondContact O-N 3.38Å
358N93.1Very high91.5Very high117 Ų117130.7 Ų130.763%0.62666%0.656SS**Hα-helixtrans-59.2-29.9175.261.1-16000113.6D355 V356D355-N358 PolarHBondContact O-OD1 3.29Å; V356-N358 VanDerWaalsContact C-N 3.26Å; V356-N358 PolarHBondContact O-N 3.45Å
359R93.8Very high91.5Very high211 Ų211129.6 Ų129.680%0.79665%0.651SS**Hα-helixtrans-82.2-25.4177.3-59.8179.3-174.6-176.1-0112.9V356 L357V356-R359 WeakPolarHBondContact O-CB 3.47Å; V356-R359 PolarHBondContact O-N 2.99Å; L357-R359 PolarHBondContact O-N 3.35Å
360L92.3Very high91.4Very high129 Ų129130.3 Ų130.368%0.67566%0.658SS**Hα-helixtrans-84.3-24.1178.4-69.8162.9000111.8V356 L357 L362V356-L360 HydrophobicContact CG2-CD1 4.42Å; V356-L360 PolarHBondContact O-N 2.8Å; L357-L360 PolarHBondContact O-N 3.06Å; L357-L360 VanDerWaalsContact O-N 3.12Å; L360-L362 PolarHBondContact O-N 3.46Å
361H93.4Very high91.3Very high137 Ų137136.7 Ų136.763%0.63468%0.676SS**  trans-72.1108.7-179.9179.7-89.6000111.4L357 A363L357-H361 PolarHBondContact O-N 3.38Å; H361-A363 PolarHBondContact O-N 3.04Å
362L95.2Very high91.3Very high142 Ų142136.6 Ų136.674%0.74368%0.679SS**  trans-79.8111.1168.5-177.465000109.1L360 M364L360-L362 PolarHBondContact O-N 3.46Å; L362-M364 PolarHBondContact O-N 3.03Å
363A93.7Very high91.3Very high75 Ų75138 Ų13862%0.6268%0.679SS**PPolyproline II helixtrans-67.8117.8178.100000110.7H361H361-A363 PolarHBondContact O-N 3.04Å
364M92.3Very high91.4Very high165 Ų165141.1 Ų141.181%0.81370%0.7SS**PPolyproline II helixtrans-88.6116.6172.2-65.9-174.5179.500108.8L362 A366L362-M364 PolarHBondContact O-N 3.03Å; M364-A366 PolarHBondContact O-N 2.76Å
365P90.1Very high91.6Very high124 Ų124140 Ų14081%0.80571%0.705SS**PPolyproline II helixtrans-66.8126.7-179.326.7-32.8000110.3
366A88.9Confident91.7Very high94 Ų94143.4 Ų143.478%0.77771%0.714SS**PPolyproline II helixtrans-70.7136.9169.600000109.7M364 R368M364-A366 PolarHBondContact O-N 2.76Å; A366-R368 PolarHBondContact O-N 3.43Å; A366-R368 VanDerWaalsContact O-N 3.15Å
367K87.9Confident91.7Very high214 Ų214145.5 Ų145.593%0.9372%0.722SS**  trans-63.9115.6175.5-69.4-172.1178-174.70109
368R87.1Confident91.8Very high217 Ų217144.7 Ų144.782%0.81972%0.722SS**  trans-92-51.6179.3-176.6-172.1164.5170.4-1.1112A366A366-R368 PolarHBondContact O-N 3.43Å; A366-R368 VanDerWaalsContact O-N 3.15Å
369D91.9Very high91.8Very high87 Ų87146.5 Ų146.547%0.46573%0.727SS.*SBendtrans-133.1164.8-177.2-48.6-42.8000109.6K371D369-K371 PolarHBondContact O-N 3.32Å
370E89.8Confident91.6Very high203 Ų203138.5 Ų138.595%0.94971%0.71SS**SBendtrans-82.711.7176.3-63.2-173.3162.800114.1
371K90.7Very high91.5Very high166 Ų166133.9 Ų133.972%0.72269%0.691SS**  trans-81.8120.9179.4-66.6-176.9179.6-179.40111.5D369D369-K371 PolarHBondContact O-N 3.32Å
372E89.9Confident91.2Very high182 Ų182131.3 Ų131.385%0.8568%0.681SS**  trans-71138.2173.5-62.5-169.7166.100111.8
373R88.8Confident90.8Very high202 Ų202129.1 Ų129.176%0.76267%0.67SS**  trans-128.974.3177.1-61-178.1-170.1-179.72.3109.6
374P92.9Very high90.3Very high102 Ų102133.3 Ų133.366%0.66267%0.67SS**  trans-68.4151.2-179.328.7-34.5000111.4F376P374-F376 PolarHBondContact O-N 2.82Å
375P93.5Very high89.9Confident111 Ų111134.1 Ų134.172%0.72166%0.664SS**  trans-66.9124.6170.928.2-32.7000110I377P375-I377 PolarHBondContact O-N 2.97Å
376F94.3Very high89.5Confident192 Ų192134.7 Ų134.784%0.84265%0.654SS**  trans-86.995.4177.1-174.3-105.6000110.5P374P374-F376 PolarHBondContact O-N 2.82Å
377I93.6Very high89Confident101 Ų101132.2 Ų132.252%0.51863%0.633SS.*  trans-104115.1174.3-57.6173.8000107.7P375 A381 L382P375-I377 PolarHBondContact O-N 2.97Å; I377-A381 HydrophobicContact CG2-CB 4.32Å; I377-L382 HydrophobicContact CG2-CD2 4Å; I377-L382 HydrophobicContact CG2-CG 3.97Å
378P94.5Very high88.3Confident67 Ų67129.9 Ų129.944%0.43563%0.627SS.*  trans-68.9148.1-177.628-34.2000111.4G380 A381 L382P378-G380 PolarHBondContact O-N 3.42Å; P378-A381 HydrophobicContact CG-CB 4.1Å; P378-A381 WeakPolarHBondContact O-CB 3.48Å; P378-A381 PolarHBondContact O-N 3.03Å; P378-L382 PolarHBondContact O-N 3.27Å
379E92.8Very high87.6Confident156 Ų156126.9 Ų126.973%0.72962%0.623SS**Hα-helixtrans-57.5-36.5-177.8-62.2-172.1166.400112.7A381 L382 N383E379-A381 PolarHBondContact O-N 3.48Å; E379-L382 PolarHBondContact O-N 3.17Å; E379-L382 VanDerWaalsContact O-N 3.11Å; E379-N383 PolarHBondContact O-N 3.48Å
380G90.6Very high86.7Confident43 Ų43127.2 Ų127.244%0.44363%0.628SS.*Hα-helixtrans-62-24.917600000114.4P378 R384P378-G380 PolarHBondContact O-N 3.42Å; G380-R384 WeakPolarHBondContact O-CB 3.41Å; G380-R384 VanDerWaalsContact O-CG 3.3Å; G380-R384 WeakPolarHBondContact O-CG 3.49Å; G380-R384 PolarHBondContact O-N 2.69Å; G380-R384 PolarHBondContact O-NE 3.35Å; G380-R384 VanDerWaalsContact O-NE 3.13Å
381A89.1Confident85.8Confident32 Ų32125.7 Ų125.726%0.26463%0.626SS.*Hα-helixtrans-78.9-37.917300000111.8I377 P378 E379 R384 R385I377-A381 HydrophobicContact CG2-CB 4.32Å; P378-A381 HydrophobicContact CG-CB 4.1Å; P378-A381 WeakPolarHBondContact O-CB 3.48Å; P378-A381 PolarHBondContact O-N 3.03Å; E379-A381 PolarHBondContact O-N 3.48Å; A381-R384 PolarHBondContact O-N 3.39Å; A381-R385 PolarHBondContact O-N 3.01Å; A381-R385 VanDerWaalsContact O-N 3.09Å
382L88.7Confident85Confident83 Ų83121.3 Ų121.344%0.43561%0.613SS.*Hα-helixtrans-65.9-43175.8-65.5171.8000111.4I377 P378 E379 R384 R385 K386I377-L382 HydrophobicContact CG2-CD2 4Å; I377-L382 HydrophobicContact CG2-CG 3.97Å; P378-L382 PolarHBondContact O-N 3.27Å; E379-L382 PolarHBondContact O-N 3.17Å; E379-L382 VanDerWaalsContact O-N 3.11Å; L382-R384 PolarHBondContact O-N 2.94Å; L382-R385 PolarHBondContact O-N 3.4Å; L382-K386 PolarHBondContact O-N 3.39Å
383N86.7Confident84.2Confident95 Ų95118.7 Ų118.751%0.50861%0.612SS.*Hα-helixtrans-64.7-38.6176.5-70.2-13.1000111.8E379 R385 K386 A387E379-N383 PolarHBondContact O-N 3.48Å; N383-R385 PolarHBondContact O-N 2.95Å; N383-K386 PolarHBondContact O-N 3.22Å; N383-A387 WeakPolarHBondContact O-CB 3.41Å; N383-A387 PolarHBondContact O-N 2.9Å
384R83.3Confident83.6Confident164 Ų164118.6 Ų118.662%0.61962%0.617SS**Hα-helixtrans-62.5-40173.4-82.5-175.8-70.5163.1-5.4112.8G380 A381 L382 K386 A387 M388G380-R384 WeakPolarHBondContact O-CB 3.41Å; G380-R384 VanDerWaalsContact O-CG 3.3Å; G380-R384 WeakPolarHBondContact O-CG 3.49Å; G380-R384 PolarHBondContact O-N 2.69Å; G380-R384 PolarHBondContact O-NE 3.35Å; G380-R384 VanDerWaalsContact O-NE 3.13Å; A381-R384 PolarHBondContact O-N 3.39Å; L382-R384 PolarHBondContact O-N 2.94Å; R384-K386 VanDerWaalsContact C-N 3.35Å; R384-A387 PolarHBondContact O-N 3.04Å; R384-M388 WeakPolarHBondContact O-CG 3.28Å; R384-M388 PolarHBondContact O-N 3.09Å
385R82.4Confident83.1Confident182 Ų182123.5 Ų123.569%0.68762%0.623SS**Hα-helixtrans-61.6-43.7176.4-175.6177.6174178.5-1.1111.5A381 L382 N383 M388A381-R385 PolarHBondContact O-N 3.01Å; A381-R385 VanDerWaalsContact O-N 3.09Å; L382-R385 PolarHBondContact O-N 3.4Å; N383-R385 PolarHBondContact O-N 2.95Å; R385-M388 PolarHBondContact O-N 2.76Å
386K82.1Confident82.8Confident136 Ų136124 Ų12459%0.59161%0.613SS**Hα-helixtrans-64.1-41.8174.2-65.6177.1-178.41770111.8L382 N383 R384 M388 E389L382-K386 PolarHBondContact O-N 3.39Å; N383-K386 PolarHBondContact O-N 3.22Å; R384-K386 VanDerWaalsContact C-N 3.35Å; K386-M388 VanDerWaalsContact C-N 3.27Å; K386-M388 PolarHBondContact O-N 2.99Å; K386-E389 WeakPolarHBondContact O-CB 3.5Å; K386-E389 PolarHBondContact O-N 3.28Å; K386-E389 VanDerWaalsContact O-N 3.14Å
387A78.3Confident82.5Confident41 Ų41120.3 Ų120.334%0.33960%0.602SS.*Hα-helixtrans-67.1-24.6178.300000113.4N383 R384 E389 V390 T392N383-A387 WeakPolarHBondContact O-CB 3.41Å; N383-A387 PolarHBondContact O-N 2.9Å; R384-A387 PolarHBondContact O-N 3.04Å; A387-E389 VanDerWaalsContact C-N 3.29Å; A387-V390 PolarHBondContact O-N 2.64Å; A387-T392 PolarHBondContact O-OG1 2.84Å
388M73.3Confident82.3Confident165 Ų165118.2 Ų118.281%0.81359%0.59SS**Hα-helixtrans-72.5-20.3172.5-75.7179.6177.400113.5R384 R385 K386 V390R384-M388 WeakPolarHBondContact O-CG 3.28Å; R384-M388 PolarHBondContact O-N 3.09Å; R385-M388 PolarHBondContact O-N 2.76Å; K386-M388 VanDerWaalsContact C-N 3.27Å; K386-M388 PolarHBondContact O-N 2.99Å; M388-V390 VanDerWaalsContact C-N 3.28Å
389E72.8Confident82.1Confident154 Ų154123.5 Ų123.572%0.7260%0.601SS**Hα-helixtrans-77.6-19.2174.4-63.7172.4176.600111.6K386 A387K386-E389 WeakPolarHBondContact O-CB 3.5Å; K386-E389 PolarHBondContact O-N 3.28Å; K386-E389 VanDerWaalsContact O-N 3.14Å; A387-E389 VanDerWaalsContact C-N 3.29Å
390V73.3Confident82.1Confident94 Ų94119 Ų11957%0.5758%0.582SS**THydrogen-bonded Turntrans-102.7132.3175.2-170.20000107.8A387 M388 T392A387-V390 PolarHBondContact O-N 2.64Å; M388-V390 VanDerWaalsContact C-N 3.28Å; V390-T392 HydrophobicContact CB-CG2 4.39Å; V390-T392 HydrophobicContact CG1-CG2 4.23Å; V390-T392 PolarHBondContact O-N 3.21Å
391D69.8Low82.1Confident171 Ų171118.9 Ų118.991%0.91457%0.571SS**THydrogen-bonded Turntrans-74.262.5-175.4-160.222.9000112.2
392T75Confident82.3Confident74 Ų74122.1 Ų122.145%0.45458%0.581SS.*PPolyproline II helixtrans-77.8147.3176.252.40000110.2A387 V390 K394A387-T392 PolarHBondContact O-OG1 2.84Å; V390-T392 HydrophobicContact CB-CG2 4.39Å; V390-T392 HydrophobicContact CG1-CG2 4.23Å; V390-T392 PolarHBondContact O-N 3.21Å; T392-K394 PolarHBondContact O-N 2.85Å
393P73.5Confident82.6Confident127 Ų127124.1 Ų124.183%0.82559%0.589SS**PPolyproline II helixtrans-61.8129.2-177.924.2-33000110.8
394K76.1Confident82.9Confident200 Ų200125.7 Ų125.787%0.8759%0.594SS**PPolyproline II helixtrans-64.9135.3178.6-67.4177.4-177.6172.30110.1T392T392-K394 PolarHBondContact O-N 2.85Å
395R82.2Confident83.4Confident206 Ų206122.1 Ų122.178%0.77759%0.586SS**PPolyproline II helixtrans-59.2135.2169.8178.8-178.9171176.2-0.5109.3L397R395-L397 PolarHBondContact O-N 2.72Å
396K85.7Confident83.9Confident122 Ų122115.5 Ų115.553%0.5357%0.574SS.*PPolyproline II helixtrans-57.4125.5170.1-73.7-167.5172.1-167.10109.6L401 E404K396-L401 HydrophobicContact CD-CD2 4.28Å; K396-E404 IonicContact NZ-OE1 3.42Å; K396-E404 IonicContact NZ-OE2 3.46Å; K396-E404 PolarHBondContact NZ-OE2 3.33Å
397L89.9Confident84.4Confident113 Ų113117.3 Ų117.359%0.59259%0.59SS**PPolyproline II helixtrans-84.6161.6174.3-61.5174.9000109.9R395 R399 D400 L401R395-L397 PolarHBondContact O-N 2.72Å; L397-R399 PolarHBondContact O-N 3.24Å; L397-D400 PolarHBondContact N-OD2 2.82Å; L397-D400 WeakPolarHBondContact O-CB 3.19Å; L397-D400 PolarHBondContact O-N 2.83Å; L397-L401 PolarHBondContact O-N 3.41Å
398E88.8Confident85.2Confident58 Ų58122 Ų12227%0.27161%0.61SS.*Hα-helixtrans-60.3-33.6176.8-15568.5171.700112.6D400 L401 E402 Y409 L411 Y416E398-D400 VanDerWaalsContact C-N 3.26Å; E398-D400 PolarHBondContact O-N 3.39Å; E398-L401 WeakPolarHBondContact O-CB 3.45Å; E398-L401 PolarHBondContact O-N 2.89Å; E398-L401 WeakPolarHBondContact OE2-CD1 3.43Å; E398-E402 WeakPolarHBondContact O-CB 3.42Å; E398-E402 PolarHBondContact O-N 3.38Å; E398-Y409 WeakPolarHBondContact CG-OH 3.29Å; E398-Y409 PolarHBondContact OE1-OH 2.98Å; E398-L411 HydrophobicContact CG-CD1 4.33Å; E398-Y416 PolarHBondContact OE1-OH 3.26Å; E398-Y416 PolarHBondContact OE2-OH 3.28Å
399R90.9Very high86.2Confident177 Ų177116.4 Ų116.467%0.66858%0.58SS**Hα-helixtrans-62.4-33.4173.2-174.4175.1179.6147.24.2112.7L397 M403L397-R399 PolarHBondContact O-N 3.24Å; R399-M403 HydrophobicContact CG-CE 4.31Å; R399-M403 VanDerWaalsContact O-CG 3.31Å; R399-M403 WeakPolarHBondContact O-CG 3.43Å; R399-M403 PolarHBondContact O-N 2.79Å
400D92.4Very high87.1Confident63 Ų63114.9 Ų114.934%0.33758%0.581SS.*Hα-helixtrans-71.3-38.3177.5-55.6-38.1000110.2L397 E398 M403 E404L397-D400 PolarHBondContact N-OD2 2.82Å; L397-D400 WeakPolarHBondContact O-CB 3.19Å; L397-D400 PolarHBondContact O-N 2.83Å; E398-D400 VanDerWaalsContact C-N 3.26Å; E398-D400 PolarHBondContact O-N 3.39Å; D400-M403 PolarHBondContact O-N 3.09Å; D400-E404 WeakPolarHBondContact O-CB 3.29Å; D400-E404 PolarHBondContact O-N 3.39Å
401L90.6Very high88Confident40 Ų40115.1 Ų115.121%0.20958%0.579CS.*Hα-helixtrans-66.5-41.3173.7-66.1173.4000112K396 L397 E398 M403 E404 L405K396-L401 HydrophobicContact CD-CD2 4.28Å; L397-L401 PolarHBondContact O-N 3.41Å; E398-L401 WeakPolarHBondContact O-CB 3.45Å; E398-L401 PolarHBondContact O-N 2.89Å; E398-L401 WeakPolarHBondContact OE2-CD1 3.43Å; L401-M403 VanDerWaalsContact C-N 3.35Å; L401-M403 PolarHBondContact O-N 3.15Å; L401-E404 PolarHBondContact O-N 3.21Å; L401-L405 WeakPolarHBondContact O-CB 3.3Å; L401-L405 WeakPolarHBondContact O-CG 3.4Å; L401-L405 PolarHBondContact O-N 3.04Å
402E93.3Very high89.1Confident99 Ų99109.4 Ų109.446%0.46355%0.548SS..Hα-helixtrans-59-44.6173.3178.3-177.1-152.800111.2E398 G406 Y409E398-E402 WeakPolarHBondContact O-CB 3.42Å; E398-E402 PolarHBondContact O-N 3.38Å; E402-G406 WeakPolarHBondContact O-CA 3.37Å; E402-G406 PolarHBondContact O-N 3.32Å; E402-Y409 HydrophobicContact CB-CD1 3.88Å; E402-Y409 HydrophobicContact CB-CD2 4.36Å; E402-Y409 HydrophobicContact CB-CE1 3.91Å; E402-Y409 HydrophobicContact CB-CE2 4.4Å; E402-Y409 HydrophobicContact CB-CG 4.11Å; E402-Y409 HydrophobicContact CG-CD1 3.66Å; E402-Y409 HydrophobicContact CG-CE1 3.94Å; E402-Y409 HydrophobicContact CG-CG 4.19Å
403M93.5Very high89.8Confident125 Ų125111 Ų11162%0.61655%0.554SS**Hα-helixtrans-68.6-32176.7-71.8-175.7-59.700113.3R399 D400 L401R399-M403 HydrophobicContact CG-CE 4.31Å; R399-M403 VanDerWaalsContact O-CG 3.31Å; R399-M403 WeakPolarHBondContact O-CG 3.43Å; R399-M403 PolarHBondContact O-N 2.79Å; D400-M403 PolarHBondContact O-N 3.09Å; L401-M403 VanDerWaalsContact C-N 3.35Å; L401-M403 PolarHBondContact O-N 3.15Å
404E93.8Very high90.6Very high129 Ų129108 Ų10860%0.60353%0.528SS*.Hα-helixtrans-73.3-40.2179-174.4170.3-174.100111.8K396 D400 L401K396-E404 IonicContact NZ-OE1 3.42Å; K396-E404 IonicContact NZ-OE2 3.46Å; K396-E404 PolarHBondContact NZ-OE2 3.33Å; D400-E404 WeakPolarHBondContact O-CB 3.29Å; D400-E404 PolarHBondContact O-N 3.39Å; L401-E404 PolarHBondContact O-N 3.21Å
405L93.1Very high91.1Very high89 Ų89103.6 Ų103.647%0.46651%0.509SS..Hα-helixtrans-89-25-177.7-68.8167.2000113.1L401 D407 D408 Y409L401-L405 WeakPolarHBondContact O-CB 3.3Å; L401-L405 WeakPolarHBondContact O-CG 3.4Å; L401-L405 PolarHBondContact O-N 3.04Å; L405-D407 PolarHBondContact O-N 3.06Å; L405-D408 PolarHBondContact O-N 2.71Å; L405-D408 VanDerWaalsContact O-N 3.12Å; L405-Y409 HydrophobicContact CB-CD2 4.39Å; L405-Y409 HydrophobicContact CD1-CD2 3.9Å
406G94.1Very high91.4Very high42 Ų4298.4 Ų98.443%0.43349%0.49SS..G310 helixtrans58.9-120.9175.700000112.5E402 D408 Y409E402-G406 WeakPolarHBondContact O-CA 3.37Å; E402-G406 PolarHBondContact O-N 3.32Å; G406-D408 VanDerWaalsContact C-N 3.26Å; G406-D408 PolarHBondContact O-N 2.78Å; G406-Y409 VanDerWaalsContact O-CB 3.28Å; G406-Y409 WeakPolarHBondContact O-CB 3.03Å; G406-Y409 PolarHBondContact O-N 3.45Å
407D93.1Very high91.6Very high174 Ų17498.2 Ų98.293%0.9349%0.486SS*.G310 helixtrans-70.1-21.4-178.8-68.1-20.4000113L405 Y409L405-D407 PolarHBondContact O-N 3.06Å; D407-Y409 VanDerWaalsContact C-N 3.25Å; D407-Y409 PolarHBondContact O-N 3.49Å
408D93.4Very high91.7Very high141 Ų141100.4 Ų100.475%0.75450%0.499SS*.G310 helixtrans-83.6-2.6177.2-66.2-31.8000112.4L405 G406 V410L405-D408 PolarHBondContact O-N 2.71Å; L405-D408 VanDerWaalsContact O-N 3.12Å; G406-D408 VanDerWaalsContact C-N 3.26Å; G406-D408 PolarHBondContact O-N 2.78Å; D408-V410 PolarHBondContact O-N 2.91Å
409Y94.5Very high91.9Very high46 Ų46101.3 Ų101.318%0.1851%0.505CS..  trans-72.9121.7179.3179.7-110.5000111.7E398 E402 L405 G406 D407 L411E398-Y409 WeakPolarHBondContact CG-OH 3.29Å; E398-Y409 PolarHBondContact OE1-OH 2.98Å; E402-Y409 HydrophobicContact CB-CD1 3.88Å; E402-Y409 HydrophobicContact CB-CD2 4.36Å; E402-Y409 HydrophobicContact CB-CE1 3.91Å; E402-Y409 HydrophobicContact CB-CE2 4.4Å; E402-Y409 HydrophobicContact CB-CG 4.11Å; E402-Y409 HydrophobicContact CG-CD1 3.66Å; E402-Y409 HydrophobicContact CG-CE1 3.94Å; E402-Y409 HydrophobicContact CG-CG 4.19Å; L405-Y409 HydrophobicContact CB-CD2 4.39Å; L405-Y409 HydrophobicContact CD1-CD2 3.9Å; G406-Y409 VanDerWaalsContact O-CB 3.28Å; G406-Y409 WeakPolarHBondContact O-CB 3.03Å; G406-Y409 PolarHBondContact O-N 3.45Å; D407-Y409 VanDerWaalsContact C-N 3.25Å; D407-Y409 PolarHBondContact O-N 3.49Å; Y409-L411 HydrophobicContact CE1-CB 4.19Å; Y409-L411 WeakPolarHBondContact OH-CD1 3.32Å
410V92.4Very high91.9Very high122 Ų122101.6 Ų101.674%0.73952%0.516SS*.  trans-120.4122.8168.1-178.10000108.1D408 D412D408-V410 PolarHBondContact O-N 2.91Å; V410-D412 PolarHBondContact O-N 3.4Å
411L93.1Very high91.9Very high99 Ų99102.3 Ų102.352%0.51852%0.52SS..  trans-67.4104.7176.1176.368.3000109.7E398 Y409 L413E398-L411 HydrophobicContact CG-CD1 4.33Å; Y409-L411 HydrophobicContact CE1-CB 4.19Å; Y409-L411 WeakPolarHBondContact OH-CD1 3.32Å; L411-L413 HydrophobicContact CD1-CD2 4.35Å; L411-L413 HydrophobicContact CD2-CD2 3.95Å; L411-L413 HydrophobicContact CG-CD2 4Å; L411-L413 HydrophobicContact CG-CG 4.48Å
412D91.1Very high91.9Very high51 Ų51107.2 Ų107.227%0.27354%0.542SS..  trans-92.1107.5173.2-178.19.1000110.6V410 Q414 K415 Y416 H426V410-D412 PolarHBondContact O-N 3.4Å; D412-Q414 WeakPolarHBondContact OD1-CB 3.01Å; D412-Q414 PolarHBondContact OD1-N 3.33Å; D412-K415 PolarHBondContact OD1-N 3.06Å; D412-Y416 WeakPolarHBondContact O-CE2 3.47Å; D412-H426 IonicContact OD1-NE2 3.11Å; D412-H426 IonicContact OD2-CD2 2.85Å; D412-H426 IonicContact OD2-CE1 2.86Å; D412-H426 IonicContact OD2-NE2 2.94Å; D412-H426 PolarHBondContact OD2-NE2 3.48Å
413L90.6Very high91.7Very high109 Ų109110 Ų11057%0.57156%0.559SS**SBendtrans-76.9-27176.6-61.7178.2000112.5L411 K415 Y416 W417L411-L413 HydrophobicContact CD1-CD2 4.35Å; L411-L413 HydrophobicContact CD2-CD2 3.95Å; L411-L413 HydrophobicContact CG-CD2 4Å; L411-L413 HydrophobicContact CG-CG 4.48Å; L413-K415 VanDerWaalsContact C-N 3.32Å; L413-K415 PolarHBondContact O-N 3.11Å; L413-Y416 PolarHBondContact O-N 2.93Å; L413-W417 PolarHBondContact O-NE1 3.49Å
414Q90.3Very high91.6Very high62 Ų62108.3 Ų108.329%0.2955%0.55SS.*G310 helixtrans-70.6-30.9-173.7-66.9175.9-16.600111.7D412 Y416 W417 K425 H426D412-Q414 WeakPolarHBondContact OD1-CB 3.01Å; D412-Q414 PolarHBondContact OD1-N 3.33Å; Q414-Y416 PolarHBondContact O-N 3.43Å; Q414-W417 HydrophobicContact CB-CE3 4.42Å; Q414-W417 HydrophobicContact CG-CE3 4.23Å; Q414-W417 HydrophobicContact CG-CH2 3.95Å; Q414-W417 HydrophobicContact CG-CZ2 4.27Å; Q414-W417 HydrophobicContact CG-CZ3 3.93Å; Q414-W417 WeakPolarHBondContact O-CB 3.18Å; Q414-W417 PolarHBondContact O-N 3.15Å; Q414-K425 WeakPolarHBondContact CB-O 3.47Å; Q414-H426 PolarHBondContact OE1-CD2 3.32Å
415K86.9Confident91.4Very high108 Ų108103.4 Ų103.447%0.4753%0.527SS..G310 helixtrans-51.6-29173-179.1-178.1174.9-169.90114.1D412 L413D412-K415 PolarHBondContact OD1-N 3.06Å; L413-K415 VanDerWaalsContact C-N 3.32Å; L413-K415 PolarHBondContact O-N 3.11Å
416Y87.4Confident91.4Very high97 Ų97104.2 Ų104.238%0.3853%0.528SS..G310 helixtrans-95.13.7-176-58.8-65.8000114E398 D412 L413 Q414E398-Y416 PolarHBondContact OE1-OH 3.26Å; E398-Y416 PolarHBondContact OE2-OH 3.28Å; D412-Y416 WeakPolarHBondContact O-CE2 3.47Å; L413-Y416 PolarHBondContact O-N 2.93Å; Q414-Y416 PolarHBondContact O-N 3.43Å
417W90.7Very high91.2Very high119 Ų119107 Ų10745%0.45153%0.533SS..  trans-82.2133.9177.7-62.7-6.4000110.6L413 Q414 L419 K425L413-W417 PolarHBondContact O-NE1 3.49Å; Q414-W417 HydrophobicContact CB-CE3 4.42Å; Q414-W417 HydrophobicContact CG-CE3 4.23Å; Q414-W417 HydrophobicContact CG-CH2 3.95Å; Q414-W417 HydrophobicContact CG-CZ2 4.27Å; Q414-W417 HydrophobicContact CG-CZ3 3.93Å; Q414-W417 WeakPolarHBondContact O-CB 3.18Å; Q414-W417 PolarHBondContact O-N 3.15Å; W417-L419 HydrophobicContact CB-CG 4.46Å; W417-K425 WeakPolarHBondContact O-CD 3.36Å; W417-K425 WeakPolarHBondContact O-CE 3.22Å; W417-K425 PolarHBondContact O-NZ 3.24Å; W417-K425 VanDerWaalsContact O-NZ 3.17Å
418D92.3Very high91.1Very high159 Ų159108.3 Ų108.385%0.8553%0.53SS*.  trans-96.698173.8-67.8-23.5000107.8
419L92.3Very high91Very high77 Ų77107.5 Ų107.540%0.40353%0.525SS..  trans-104.3165.3177.5-63.2-178.5000110.8W417 N421 E424 K425W417-L419 HydrophobicContact CB-CG 4.46Å; L419-N421 VanDerWaalsContact C-N 3.32Å; L419-N421 WeakPolarHBondContact CB-O 3.21Å; L419-N421 PolarHBondContact O-N 3.46Å; L419-E424 HydrophobicContact CD1-CB 4.39Å; L419-K425 HydrophobicContact CD1-CB 4.49Å; L419-K425 HydrophobicContact CD1-CG 4.02Å; L419-K425 HydrophobicContact CG-CG 4.37Å
420M91.8Very high90.9Very high182 Ų182109.4 Ų109.490%0.89754%0.543SS*.SBendtrans-60.8-42.8177-171.569.9-175.600111.6
421N92.7Very high90.9Very high79 Ų79110.9 Ų110.942%0.42254%0.542SS..SBendtrans-113.7132.6173.3-63.2-30.7000109.1L419 D423 E424L419-N421 VanDerWaalsContact C-N 3.32Å; L419-N421 WeakPolarHBondContact CB-O 3.21Å; L419-N421 PolarHBondContact O-N 3.46Å; N421-D423 VanDerWaalsContact C-N 3.32Å; N421-E424 HydrophobicContact CB-CG 4.14Å; N421-E424 PolarHBondContact ND2-OE1 2.96Å
422E89Confident91Very high143 Ų143110.4 Ų110.467%0.66854%0.543SS*.G310 helixtrans-74-24.7-179.4-62.9-158.7127.400113.4E424 K425E422-E424 PolarHBondContact O-N 3.5Å; E422-K425 VanDerWaalsContact O-CG 3.31Å; E422-K425 WeakPolarHBondContact O-CG 3.22Å; E422-K425 PolarHBondContact O-N 3.38Å; E422-K425 IonicContact OE1-NZ 3.47Å; E422-K425 PolarHBondContact OE1-NZ 3.38Å
423D90.1Very high91Very high156 Ų156116.2 Ų116.283%0.83456%0.561SS**G310 helixtrans-67.6-25.9-178.2-62.4-34000112.6N421 K425N421-D423 VanDerWaalsContact C-N 3.32Å; D423-K425 VanDerWaalsContact C-N 3.31Å; D423-K425 PolarHBondContact O-N 2.97Å
424E90.8Very high91.1Very high91 Ų91118.7 Ų118.743%0.42557%0.57SS.*G310 helixtrans-83.9-1.9-176.9-63.5170-164.300112.9L419 N421 E422 H426 D427L419-E424 HydrophobicContact CD1-CB 4.39Å; N421-E424 HydrophobicContact CB-CG 4.14Å; N421-E424 PolarHBondContact ND2-OE1 2.96Å; E422-E424 PolarHBondContact O-N 3.5Å; E424-H426 PolarHBondContact O-N 3.31Å; E424-D427 WeakPolarHBondContact O-CB 3.43Å; E424-D427 PolarHBondContact O-N 2.89Å
425K90.9Very high91.1Very high25 Ų25119.1 Ų119.111%0.10959%0.591CS.*G310 helixtrans-59.1-34.7-175.7-73.8-178.6-167.1-169.10113Q414 W417 L419 E422 D423Q414-K425 WeakPolarHBondContact CB-O 3.47Å; W417-K425 WeakPolarHBondContact O-CD 3.36Å; W417-K425 WeakPolarHBondContact O-CE 3.22Å; W417-K425 PolarHBondContact O-NZ 3.24Å; W417-K425 VanDerWaalsContact O-NZ 3.17Å; L419-K425 HydrophobicContact CD1-CB 4.49Å; L419-K425 HydrophobicContact CD1-CG 4.02Å; L419-K425 HydrophobicContact CG-CG 4.37Å; E422-K425 VanDerWaalsContact O-CG 3.31Å; E422-K425 WeakPolarHBondContact O-CG 3.22Å; E422-K425 PolarHBondContact O-N 3.38Å; E422-K425 IonicContact OE1-NZ 3.47Å; E422-K425 PolarHBondContact OE1-NZ 3.38Å; D423-K425 VanDerWaalsContact C-N 3.31Å; D423-K425 PolarHBondContact O-N 2.97Å
426H91.3Very high91.4Very high107 Ų107119.1 Ų119.150%0.49559%0.592SS.*G310 helixtrans-10010.6-176.8-65.794000113.7D412 Q414 E424D412-H426 IonicContact OD1-NE2 3.11Å; D412-H426 IonicContact OD2-CD2 2.85Å; D412-H426 IonicContact OD2-CE1 2.86Å; D412-H426 IonicContact OD2-NE2 2.94Å; D412-H426 PolarHBondContact OD2-NE2 3.48Å; Q414-H426 PolarHBondContact OE1-CD2 3.32Å; E424-H426 PolarHBondContact O-N 3.31Å
427D91.7Very high91.7Very high101 Ų101118.4 Ų118.454%0.5460%0.595SS.*  trans-68.8140.5178.4-78.8-13.5000111.8E424 I429E424-D427 WeakPolarHBondContact O-CB 3.43Å; E424-D427 PolarHBondContact O-N 2.89Å; D427-I429 PolarHBondContact O-N 3.12Å
428K90.4Very high91.9Very high200 Ų200114.8 Ų114.887%0.8759%0.586SS**  trans-87.2108179.1-65.7-176.8-177.2178.10109.5P430K428-P430 WeakPolarHBondContact O-CD 3.46Å
429I90.5Very high92Very high124 Ų124110.5 Ų110.564%0.63657%0.573SS**  trans-70.1119.8176.5-56.8175.5000109D427 E431D427-I429 PolarHBondContact O-N 3.12Å; I429-E431 PolarHBondContact O-N 2.9Å
430P93.9Very high92Very high87 Ų87112.6 Ų112.657%0.56558%0.584SS**  trans-69.2120.717328-31.8000109.3K428 V438K428-P430 WeakPolarHBondContact O-CD 3.46Å; P430-V438 VanDerWaalsContact O-CB 3.24Å; P430-V438 WeakPolarHBondContact O-CB 3.23Å; P430-V438 WeakPolarHBondContact O-CG2 3.33Å
431E92.1Very high92Very high153 Ų153110.3 Ų110.372%0.71557%0.567SS**  trans-89.6-33.7-177.5-65.7-176.9171.100112.7I429 N437 V438I429-E431 PolarHBondContact O-N 2.9Å; E431-N437 CarbonylContact O-C 3.58Å; E431-N437 WeakPolarHBondContact O-CA 3.34Å; E431-V438 PolarHBondContact O-N 3.49Å
432V93.9Very high92Very high89 Ų89112.7 Ų112.754%0.53958%0.578SS.*EExtended strand (participates in β ladder)trans-133.6135.1-172.4-178.30000110.9H436V432-H436 CarbonylContact C-O 3.59Å; V432-H436 WeakPolarHBondContact CA-O 3.23Å
433W92.4Very high92.2Very high173 Ų173108.4 Ų108.466%0.65556%0.56SS**EExtended strand (participates in β ladder)trans-132.8118.9172.8-175.8-92.1000110.2G435 H436 V438W433-G435 PolarHBondContact O-N 3.27Å; W433-H436 PolarHBondContact N-O 2.76Å; W433-H436 PolarHBondContact O-N 2.95Å; W433-V438 HydrophobicContact CB-CG2 4.14Å
434E91.5Very high92.4Very high160 Ų160107.3 Ų107.375%0.74856%0.561SS**THydrogen-bonded Turntrans47.740.1173.5-63.5-177.7156.900114.9H436E434-H436 PolarHBondContact O-ND1 3.14Å; E434-H436 VanDerWaalsContact O-ND1 3.11Å
435G90.9Very high92.6Very high72 Ų72106.5 Ų106.574%0.74256%0.56SS**THydrogen-bonded Turntrans88.81.2178.800000115.6W433W433-G435 PolarHBondContact O-N 3.27Å
436H92.3Very high92.7Very high107 Ų107108.7 Ų108.750%0.49557%0.572SS.*EExtended strand (participates in β ladder)trans-113147.8177.7-53.279.9000110.4V432 W433 E434 Y441V432-H436 CarbonylContact C-O 3.59Å; V432-H436 WeakPolarHBondContact CA-O 3.23Å; W433-H436 PolarHBondContact N-O 2.76Å; W433-H436 PolarHBondContact O-N 2.95Å; E434-H436 PolarHBondContact O-ND1 3.14Å; E434-H436 VanDerWaalsContact O-ND1 3.11Å; H436-Y441 HydrophobicContact CB-CE2 4.19Å
437N94.4Very high92.8Very high82 Ų82109.6 Ų109.644%0.43958%0.578SS.*EExtended strand (participates in β ladder)trans-84.7131.6174.6-47.3-50.4000109.5E431 A439 D440 Y441E431-N437 CarbonylContact O-C 3.58Å; E431-N437 WeakPolarHBondContact O-CA 3.34Å; N437-A439 VanDerWaalsContact C-N 3.26Å; N437-A439 PolarHBondContact O-N 3.47Å; N437-D440 WeakPolarHBondContact CB-OD2 3.37Å; N437-D440 PolarHBondContact ND2-OD2 2.9Å; N437-D440 VanDerWaalsContact ND2-OD2 3.12Å; N437-D440 PolarHBondContact O-N 3.36Å; N437-Y441 VanDerWaalsContact O-CD2 3.3Å; N437-Y441 WeakPolarHBondContact O-CD2 3.22Å
438V94.3Very high92.9Very high44 Ų44111.1 Ų111.127%0.26758%0.576SS.*G310 helixtrans-66.1-32.9178.3178.50000111.2P430 E431 W433 D440 Y441P430-V438 VanDerWaalsContact O-CB 3.24Å; P430-V438 WeakPolarHBondContact O-CB 3.23Å; P430-V438 WeakPolarHBondContact O-CG2 3.33Å; E431-V438 PolarHBondContact O-N 3.49Å; W433-V438 HydrophobicContact CB-CG2 4.14Å; V438-D440 PolarHBondContact O-N 2.9Å; V438-D440 VanDerWaalsContact O-N 3.17Å; V438-Y441 PolarHBondContact O-N 2.97Å
439A93.8Very high93Very high69 Ų69106.3 Ų106.357%0.5756%0.555SS**G310 helixtrans-57.8-29.3178.700000113.6N437 Y441 I442N437-A439 VanDerWaalsContact C-N 3.26Å; N437-A439 PolarHBondContact O-N 3.47Å; A439-Y441 PolarHBondContact O-N 3.41Å; A439-I442 PolarHBondContact O-N 3.22Å
440D93.4Very high93.1Very high120 Ų120104.1 Ų104.164%0.64254%0.544SS*.G310 helixtrans-70.2-17.4179.2-62.8-29.5000112.1N437 V438N437-D440 WeakPolarHBondContact CB-OD2 3.37Å; N437-D440 PolarHBondContact ND2-OD2 2.9Å; N437-D440 VanDerWaalsContact ND2-OD2 3.12Å; N437-D440 PolarHBondContact O-N 3.36Å; V438-D440 PolarHBondContact O-N 2.9Å; V438-D440 VanDerWaalsContact O-N 3.17Å
441Y91.2Very high93.1Very high135 Ų135104.8 Ų104.853%0.52954%0.54SS..G310 helixtrans-109.65.9-177.5-61.1-91.3000113.4H436 N437 V438 A439 D443H436-Y441 HydrophobicContact CB-CE2 4.19Å; N437-Y441 VanDerWaalsContact O-CD2 3.3Å; N437-Y441 WeakPolarHBondContact O-CD2 3.22Å; V438-Y441 PolarHBondContact O-N 2.97Å; A439-Y441 PolarHBondContact O-N 3.41Å; Y441-D443 PolarHBondContact O-N 3.08Å; Y441-D443 VanDerWaalsContact O-N 3.13Å
442I93.8Very high93.1Very high129 Ų129103.1 Ų103.166%0.66253%0.532SS*.  trans-76.1102.1176.3-60.4178.5000109.2A439A439-I442 PolarHBondContact O-N 3.22Å
443D93.2Very high93.1Very high53 Ų53103.5 Ų103.528%0.28353%0.531SS..  trans-139.5130.1176.1-173.2-30.4000108.9Y441 D445 I446 K449Y441-D443 PolarHBondContact O-N 3.08Å; Y441-D443 VanDerWaalsContact O-N 3.13Å; D443-D445 PolarHBondContact O-N 3.4Å; D443-D445 VanDerWaalsContact O-N 3.11Å; D443-D445 PolarHBondContact OD1-N 3.34Å; D443-I446 HydrophobicContact CB-CB 4.3Å; D443-I446 PolarHBondContact O-N 3.47Å; D443-K449 IonicContact OD2-NZ 2.64Å; D443-K449 PolarHBondContact OD2-NZ 3.41Å
444P94Very high93Very high133 Ų133100.3 Ų100.386%0.86452%0.523SS*.THydrogen-bonded Turntrans-55.9-25.5176.823.7-35.2000113.7
445D94.6Very high93Very high73 Ų7398.6 Ų98.639%0.3951%0.513SS..THydrogen-bonded Turntrans-104.216.6-176.8-74-7.1000113.8D443 M447 R448 K449D443-D445 PolarHBondContact O-N 3.4Å; D443-D445 VanDerWaalsContact O-N 3.11Å; D443-D445 PolarHBondContact OD1-N 3.34Å; D445-M447 VanDerWaalsContact C-N 3.34Å; D445-M447 PolarHBondContact O-N 3.07Å; D445-R448 PolarHBondContact O-N 2.92Å; D445-R448 IonicContact OD2-CZ 3.49Å; D445-R448 IonicContact OD2-NH1 3.55Å; D445-R448 IonicContact OD2-NH2 2.8Å; D445-R448 PolarHBondContact OD2-NH2 3.46Å; D445-K449 PolarHBondContact O-N 3Å
446I93.7Very high93Very high72 Ų72100 Ų10037%0.36950%0.501SS..Hα-helixtrans-58.1-39.5-170.9-169.461.6000114D443 R448 K449 L450D443-I446 HydrophobicContact CB-CB 4.3Å; D443-I446 PolarHBondContact O-N 3.47Å; I446-R448 VanDerWaalsContact C-N 3.32Å; I446-R448 PolarHBondContact O-N 3.46Å; I446-K449 PolarHBondContact O-N 3.42Å; I446-L450 PolarHBondContact O-N 3.17Å
447M92.9Very high92.8Very high125 Ų12597.9 Ų97.962%0.61649%0.491SS*.Hα-helixtrans-63.6-37.2-178.6-67-59.9-67.100112.1D445 K449 L450 E451D445-M447 VanDerWaalsContact C-N 3.34Å; D445-M447 PolarHBondContact O-N 3.07Å; M447-K449 PolarHBondContact O-N 2.78Å; M447-L450 PolarHBondContact O-N 3.49Å; M447-E451 WeakPolarHBondContact O-CG 3.48Å; M447-E451 PolarHBondContact O-N 3.14Å; M447-E451 VanDerWaalsContact O-N 3.07Å
448R93.4Very high92.4Very high133 Ų13398.9 Ų98.950%0.50249%0.493SS..Hα-helixtrans-64.7-41.7176.6-173.4-176.867.9-147.6-14.5111.2D445 I446 L450 E451 E452D445-R448 PolarHBondContact O-N 2.92Å; D445-R448 IonicContact OD2-CZ 3.49Å; D445-R448 IonicContact OD2-NH1 3.55Å; D445-R448 IonicContact OD2-NH2 2.8Å; D445-R448 PolarHBondContact OD2-NH2 3.46Å; I446-R448 VanDerWaalsContact C-N 3.32Å; I446-R448 PolarHBondContact O-N 3.46Å; R448-L450 VanDerWaalsContact C-N 3.32Å; R448-E451 PolarHBondContact O-N 3.49Å; R448-E452 PolarHBondContact O-N 3.48Å
449K92.3Very high92.1Very high99 Ų99102 Ų10243%0.4351%0.507SS..Hα-helixtrans-65.3-36.6177.4-67.8178.5177.3172.90111.7D443 D445 I446 M447 E452 L453D443-K449 IonicContact OD2-NZ 2.64Å; D443-K449 PolarHBondContact OD2-NZ 3.41Å; D445-K449 PolarHBondContact O-N 3Å; I446-K449 PolarHBondContact O-N 3.42Å; M447-K449 PolarHBondContact O-N 2.78Å; K449-E452 PolarHBondContact O-N 2.91Å; K449-L453 PolarHBondContact O-N 3.3Å
450L93.5Very high91.6Very high78 Ų78101.5 Ų101.541%0.40849%0.492SS..Hα-helixtrans-64.4-45.9176.2-177.663.7000111.5I446 M447 R448 E452 L453 E454I446-L450 PolarHBondContact O-N 3.17Å; M447-L450 PolarHBondContact O-N 3.49Å; R448-L450 VanDerWaalsContact C-N 3.32Å; L450-E452 PolarHBondContact O-N 3.46Å; L450-L453 PolarHBondContact O-N 3.47Å; L450-L453 VanDerWaalsContact O-N 3.1Å; L450-E454 HydrophobicContact CD1-CG 4.39Å; L450-E454 HydrophobicContact CG-CG 4.44Å; L450-E454 WeakPolarHBondContact O-CG 3.33Å; L450-E454 PolarHBondContact O-N 2.97Å
451E93.3Very high91.1Very high102 Ų102102.1 Ų102.148%0.47749%0.491SS..Hα-helixtrans-59.8-33.6177-72.6177.1-163.100113.2M447 R448 K455M447-E451 WeakPolarHBondContact O-CG 3.48Å; M447-E451 PolarHBondContact O-N 3.14Å; M447-E451 VanDerWaalsContact O-N 3.07Å; R448-E451 PolarHBondContact O-N 3.49Å; E451-K455 WeakPolarHBondContact O-CD 3.44Å; E451-K455 VanDerWaalsContact O-CG 3.28Å; E451-K455 WeakPolarHBondContact O-CG 3.34Å; E451-K455 PolarHBondContact O-N 2.98Å
452E92.8Very high90.7Very high118 Ų118104.1 Ų104.155%0.55150%0.498SS*.Hα-helixtrans-69.3-41.1175.1-72171.4-17600111.6R448 K449 L450 K455 E456R448-E452 PolarHBondContact O-N 3.48Å; K449-E452 PolarHBondContact O-N 2.91Å; L450-E452 PolarHBondContact O-N 3.46Å; E452-K455 PolarHBondContact O-N 3.35Å; E452-E456 PolarHBondContact O-N 2.93Å; E452-E456 VanDerWaalsContact O-N 3.13Å
453L92.7Very high90.1Very high96 Ų96101.8 Ų101.850%0.50350%0.498SS..Hα-helixtrans-68.5-43.7179.6-165.3159000111.6K449 L450 K455 E456 E457K449-L453 PolarHBondContact O-N 3.3Å; L450-L453 PolarHBondContact O-N 3.47Å; L450-L453 VanDerWaalsContact O-N 3.1Å; L453-K455 VanDerWaalsContact C-N 3.31Å; L453-K455 PolarHBondContact O-N 3.39Å; L453-E456 WeakPolarHBondContact O-CA 3.22Å; L453-E456 WeakPolarHBondContact O-CB 3.27Å; L453-E456 PolarHBondContact O-N 3.36Å; L453-E457 HydrophobicContact CD2-CG 4.03Å; L453-E457 PolarHBondContact O-N 3.48Å
454E91.8Very high89.1Confident106 Ų106100.5 Ų100.550%0.49550%0.498SS..Hα-helixtrans-60.5-40.5176.5-71.6177.3168.100111.7L450 E456 E457 E458L450-E454 HydrophobicContact CD1-CG 4.39Å; L450-E454 HydrophobicContact CG-CG 4.44Å; L450-E454 WeakPolarHBondContact O-CG 3.33Å; L450-E454 PolarHBondContact O-N 2.97Å; E454-E456 VanDerWaalsContact C-N 3.29Å; E454-E456 PolarHBondContact O-N 3.05Å; E454-E457 PolarHBondContact O-N 3.15Å; E454-E458 PolarHBondContact O-N 2.99Å
455K91.5Very high88.3Confident125 Ų125100.6 Ų100.654%0.54349%0.486SS..Hα-helixtrans-63.7-34.5173.3-73.7170.3-171.1161.90112.4E451 E452 L453 L459E451-K455 WeakPolarHBondContact O-CD 3.44Å; E451-K455 VanDerWaalsContact O-CG 3.28Å; E451-K455 WeakPolarHBondContact O-CG 3.34Å; E451-K455 PolarHBondContact O-N 2.98Å; E452-K455 PolarHBondContact O-N 3.35Å; L453-K455 VanDerWaalsContact C-N 3.31Å; L453-K455 PolarHBondContact O-N 3.39Å; K455-L459 VanDerWaalsContact O-CG 3.26Å; K455-L459 WeakPolarHBondContact O-CG 3.34Å; K455-L459 PolarHBondContact O-N 2.64Å
456E90.3Very high87.3Confident102 Ų102103.9 Ų103.948%0.47749%0.494SS..Hα-helixtrans-68.3-45.4175.4-166.2-171.7143.100111.4E452 L453 E454 L459 K460E452-E456 PolarHBondContact O-N 2.93Å; E452-E456 VanDerWaalsContact O-N 3.13Å; L453-E456 WeakPolarHBondContact O-CA 3.22Å; L453-E456 WeakPolarHBondContact O-CB 3.27Å; L453-E456 PolarHBondContact O-N 3.36Å; E454-E456 VanDerWaalsContact C-N 3.29Å; E454-E456 PolarHBondContact O-N 3.05Å; E456-L459 WeakPolarHBondContact O-CB 3.34Å; E456-L459 PolarHBondContact O-N 3.21Å; E456-L459 VanDerWaalsContact O-N 3.17Å; E456-K460 PolarHBondContact O-N 2.77Å; E456-K460 WeakPolarHBondContact OE1-CE 3.34Å; E456-K460 IonicContact OE1-NZ 2.77Å; E456-K460 PolarHBondContact OE1-NZ 2.84Å
457E87Confident86.1Confident62 Ų62107.9 Ų107.929%0.2951%0.512SS..Hα-helixtrans-62.1-43176.3-76.8-63.3146.200111.9L453 E454 L459 K460 E461 Y466L453-E457 HydrophobicContact CD2-CG 4.03Å; L453-E457 PolarHBondContact O-N 3.48Å; E454-E457 PolarHBondContact O-N 3.15Å; E457-L459 PolarHBondContact O-N 2.6Å; E457-K460 PolarHBondContact O-N 3.06Å; E457-K460 IonicContact OE1-NZ 3.85Å; E457-E461 PolarHBondContact O-N 2.83Å; E457-Y466 PolarHBondContact OE2-OH 3.08Å
458E87.8Confident84.6Confident103 Ų103106.9 Ų106.948%0.48152%0.516SS..Hα-helixtrans-60.2-32174.8-78.9-170.2-172.100113.2E454 R462E454-E458 PolarHBondContact O-N 2.99Å; E458-R462 WeakPolarHBondContact O-CB 3.35Å; E458-R462 WeakPolarHBondContact O-CG 3.26Å; E458-R462 PolarHBondContact O-N 3.47Å; E458-R462 PolarHBondContact O-NE 3.02Å; E458-R462 IonicContact OE2-NH2 2.95Å; E458-R462 PolarHBondContact OE2-NH2 2.9Å
459L87.4Confident82.9Confident109 Ų109107.4 Ų107.457%0.57153%0.529SS*.Hα-helixtrans-72.7-38.4175-72170.6000111.3K455 E456 E457 A463K455-L459 VanDerWaalsContact O-CG 3.26Å; K455-L459 WeakPolarHBondContact O-CG 3.34Å; K455-L459 PolarHBondContact O-N 2.64Å; E456-L459 WeakPolarHBondContact O-CB 3.34Å; E456-L459 PolarHBondContact O-N 3.21Å; E456-L459 VanDerWaalsContact O-N 3.17Å; E457-L459 PolarHBondContact O-N 2.6Å; L459-A463 PolarHBondContact O-N 3.01Å; L459-A463 VanDerWaalsContact O-N 3.12Å
460K83.5Confident81.2Confident59 Ų59111.5 Ų111.526%0.25755%0.55SS..Hα-helixtrans-67.7-43.3176.1-70.8178.3-174.6157.60112.5E456 E457 R462 A463 G464 E465E456-K460 PolarHBondContact O-N 2.77Å; E456-K460 WeakPolarHBondContact OE1-CE 3.34Å; E456-K460 IonicContact OE1-NZ 2.77Å; E456-K460 PolarHBondContact OE1-NZ 2.84Å; E457-K460 PolarHBondContact O-N 3.06Å; E457-K460 IonicContact OE1-NZ 3.85Å; K460-R462 VanDerWaalsContact C-N 3.35Å; K460-R462 PolarHBondContact O-N 2.97Å; K460-A463 WeakPolarHBondContact O-CA 3.36Å; K460-A463 WeakPolarHBondContact O-CB 3.22Å; K460-A463 PolarHBondContact O-N 3.18Å; K460-G464 PolarHBondContact O-N 3.18Å; K460-E465 WeakPolarHBondContact CG-OE2 3.41Å; K460-E465 PolarHBondContact O-N 3.29Å
461E82.1Confident79.4Confident132 Ų132116.5 Ų116.562%0.61757%0.571SS**Hα-helixtrans-60.7-44.1174.2-78.4-170.7164.600111.3E457 A463 G464 Y466E457-E461 PolarHBondContact O-N 2.83Å; E461-A463 PolarHBondContact O-N 3.1Å; E461-G464 PolarHBondContact O-N 3.46Å; E461-Y466 HydrophobicContact CG-CD2 3.95Å; E461-Y466 HydrophobicContact CG-CE2 4.1Å
462R82.8Confident77.6Confident177 Ų177117 Ų11767%0.66859%0.586SS**Hα-helixtrans-62.6-24.5174.1-83.5-177.9-106.4172.8-10.8113.6E458 K460 G464E458-R462 WeakPolarHBondContact O-CB 3.35Å; E458-R462 WeakPolarHBondContact O-CG 3.26Å; E458-R462 PolarHBondContact O-N 3.47Å; E458-R462 PolarHBondContact O-NE 3.02Å; E458-R462 IonicContact OE2-NH2 2.95Å; E458-R462 PolarHBondContact OE2-NH2 2.9Å; K460-R462 VanDerWaalsContact C-N 3.35Å; K460-R462 PolarHBondContact O-N 2.97Å; R462-G464 VanDerWaalsContact C-N 3.28Å
463A81.3Confident75.9Confident80 Ų80115.9 Ų115.966%0.66158%0.581SS**THydrogen-bonded Turntrans-81.7-5.4175.700000113.2L459 K460 E461L459-A463 PolarHBondContact O-N 3.01Å; L459-A463 VanDerWaalsContact O-N 3.12Å; K460-A463 WeakPolarHBondContact O-CA 3.36Å; K460-A463 WeakPolarHBondContact O-CB 3.22Å; K460-A463 PolarHBondContact O-N 3.18Å; E461-A463 PolarHBondContact O-N 3.1Å
464G73.6Confident74.6Confident27 Ų27117.2 Ų117.228%0.27859%0.589SS.*THydrogen-bonded Turntrans78.617.8176.600000114.6K460 E461 R462 Y466 E467K460-G464 PolarHBondContact O-N 3.18Å; E461-G464 PolarHBondContact O-N 3.46Å; R462-G464 VanDerWaalsContact C-N 3.28Å; G464-Y466 PolarHBondContact O-N 3.17Å; G464-Y466 VanDerWaalsContact O-N 3.16Å; G464-E467 PolarHBondContact O-N 3.31Å
465E75.4Confident73.4Confident135 Ų135120 Ų12063%0.63160%0.601SS**THydrogen-bonded Turntrans-64.2-22.3-173-161.8167.4-165.300113.7K460K460-E465 WeakPolarHBondContact CG-OE2 3.41Å; K460-E465 PolarHBondContact O-N 3.29Å
466Y73.9Confident72.4Confident142 Ų142121.2 Ų121.256%0.55761%0.609SS**THydrogen-bonded Turntrans-102.34.2180-56.7-68.4000114.2E457 E461 G464 S468E457-Y466 PolarHBondContact OE2-OH 3.08Å; E461-Y466 HydrophobicContact CG-CD2 3.95Å; E461-Y466 HydrophobicContact CG-CE2 4.1Å; G464-Y466 PolarHBondContact O-N 3.17Å; G464-Y466 VanDerWaalsContact O-N 3.16Å; Y466-S468 PolarHBondContact O-N 3.29Å
467E69.8Low71.4Confident156 Ų156121.4 Ų121.473%0.72961%0.611SS**  trans-77.3112171.1-71.3-173.416200109.7G464G464-E467 PolarHBondContact O-N 3.31Å
468S60.4Low70.8Confident103 Ų103124 Ų12472%0.7262%0.623SS**  trans-98.494.7174.6170.50000109.5Y466 E470Y466-S468 PolarHBondContact O-N 3.29Å; S468-E470 PolarHBondContact O-N 3.32Å
469D58Low70.3Confident144 Ų144125.3 Ų125.377%0.7763%0.629SS**  trans-71.9107.5171.7-73-25000110.2E471D469-E471 PolarHBondContact O-N 3.33Å
470E55.9Low70Confident185 Ų185125.7 Ų125.786%0.86463%0.631SS**  trans-77.698.2167.3-75.5-172.6167.300109.3S468 S472S468-E470 PolarHBondContact O-N 3.32Å; E470-S472 PolarHBondContact O-N 3.33Å
471E55.3Low69.7Low183 Ų183130.8 Ų130.886%0.85565%0.648SS**PPolyproline II helixtrans-67.2126.1171-74.8-177.5160.800110.7D469 E473D469-E471 PolarHBondContact O-N 3.33Å; E471-E473 PolarHBondContact O-N 2.95Å
472S56.4Low69.8Low112 Ų112127.4 Ų127.478%0.78364%0.64SS**PPolyproline II helixtrans-66.3119.3173.853.50000111E470 D474E470-S472 PolarHBondContact O-N 3.33Å; S472-D474 PolarHBondContact O-N 3.3Å
473E57.6Low69.9Low96 Ų96123.6 Ų123.645%0.44963%0.632SS.*PPolyproline II helixtrans-59.3129.2-177.8-63.9-178167.500113E471 R481E471-E473 PolarHBondContact O-N 2.95Å; E473-R481 IonicContact OE2-NH1 2.77Å
474D64.1Low70Confident124 Ų124121.8 Ų121.866%0.66362%0.617SS**PPolyproline II helixtrans-60.9150177.1-64.8-41.2000113.6S472 E476 M477S472-D474 PolarHBondContact O-N 3.3Å; D474-E476 PolarHBondContact O-N 3.17Å; D474-E476 VanDerWaalsContact O-N 3.14Å; D474-M477 PolarHBondContact O-N 3.43Å
475E68Low70.5Confident163 Ų163127 Ų12776%0.76263%0.632SS**Hα-helixtrans-54.3-35.4-177.7-65.8-177.9164.800113M477 Q478 E479E475-M477 VanDerWaalsContact C-N 3.31Å; E475-M477 PolarHBondContact O-N 3.11Å; E475-Q478 PolarHBondContact O-N 2.86Å; E475-E479 PolarHBondContact O-N 2.63Å
476E70.3Confident71Confident151 Ų151126.2 Ų126.271%0.70663%0.628SS**Hα-helixtrans-60.8-37.7177.9-73.4-168.1160.400112.7D474 Q478 E479 I480D474-E476 PolarHBondContact O-N 3.17Å; D474-E476 VanDerWaalsContact O-N 3.14Å; E476-Q478 VanDerWaalsContact C-N 3.34Å; E476-E479 PolarHBondContact O-N 2.91Å; E476-I480 VanDerWaalsContact O-CG1 3.29Å; E476-I480 WeakPolarHBondContact O-CG1 3.44Å; E476-I480 PolarHBondContact O-N 2.91Å
477M68.8Low71.6Confident107 Ų107124.3 Ų124.353%0.52763%0.627SS.*Hα-helixtrans-72.8-33.5-177.2-157.7174.9-61.600111.3D474 E475 R481D474-M477 PolarHBondContact O-N 3.43Å; E475-M477 VanDerWaalsContact C-N 3.31Å; E475-M477 PolarHBondContact O-N 3.11Å; M477-R481 PolarHBondContact O-N 2.92Å
478Q73.5Confident72.2Confident115 Ų115125.8 Ų125.854%0.53763%0.626SS.*Hα-helixtrans-68.7-40.4172.2-59.2-174.213.200111.3E475 E476 R481 S482E475-Q478 PolarHBondContact O-N 2.86Å; E476-Q478 VanDerWaalsContact C-N 3.34Å; Q478-R481 PolarHBondContact O-N 3.14Å; Q478-S482 PolarHBondContact O-N 3.49Å
479E77.9Confident73.4Confident131 Ų131125.9 Ų125.961%0.61262%0.615SS**Hα-helixtrans-62.1-46.8175.6-77.3-166.2164.800112.2E475 E476 R481 S482 L483E475-E479 PolarHBondContact O-N 2.63Å; E476-E479 PolarHBondContact O-N 2.91Å; E479-R481 VanDerWaalsContact C-N 3.29Å; E479-R481 PolarHBondContact O-N 2.89Å; E479-S482 PolarHBondContact O-N 2.91Å; E479-S482 VanDerWaalsContact O-N 3.11Å; E479-S482 PolarHBondContact O-OG 3.45Å; E479-L483 WeakPolarHBondContact O-CB 3.41Å; E479-L483 PolarHBondContact O-N 2.91Å
480I80.4Confident74.7Confident117 Ų117125.5 Ų125.560%0.661%0.606SS**Hα-helixtrans-58.2-43.1177.8-68.5164.5000110.8E476 S482 L483 A484E476-I480 VanDerWaalsContact O-CG1 3.29Å; E476-I480 WeakPolarHBondContact O-CG1 3.44Å; E476-I480 PolarHBondContact O-N 2.91Å; I480-S482 VanDerWaalsContact C-N 3.34Å; I480-S482 PolarHBondContact O-N 2.96Å; I480-L483 PolarHBondContact O-N 3.49Å; I480-A484 VanDerWaalsContact O-CB 3.3Å; I480-A484 WeakPolarHBondContact O-CB 3.5Å; I480-A484 PolarHBondContact O-N 3.43Å
481R79.1Confident76.1Confident166 Ų166124 Ų12463%0.62660%0.597SS**Hα-helixtrans-63.8-41.4178.1-171.6-180-77.9166.30.9111.2E473 M477 Q478 E479 K485E473-R481 IonicContact OE2-NH1 2.77Å; M477-R481 PolarHBondContact O-N 2.92Å; Q478-R481 PolarHBondContact O-N 3.14Å; E479-R481 VanDerWaalsContact C-N 3.29Å; E479-R481 PolarHBondContact O-N 2.89Å; R481-K485 PolarHBondContact O-N 3.37Å
482S82.4Confident77.4Confident62 Ų62121.7 Ų121.743%0.43459%0.586SS.*Hα-helixtrans-65.3-43.5177.683.50000112Q478 E479 I480 K485 Q486Q478-S482 PolarHBondContact O-N 3.49Å; E479-S482 PolarHBondContact O-N 2.91Å; E479-S482 VanDerWaalsContact O-N 3.11Å; E479-S482 PolarHBondContact O-OG 3.45Å; I480-S482 VanDerWaalsContact C-N 3.34Å; I480-S482 PolarHBondContact O-N 2.96Å; S482-K485 WeakPolarHBondContact O-CB 3.41Å; S482-K485 PolarHBondContact O-N 3.41Å; S482-Q486 PolarHBondContact O-N 3.37Å
483L84.9Confident78.8Confident97 Ų97121.5 Ų121.551%0.50858%0.575SS.*Hα-helixtrans-66.1-44.4179.1-175.867.2000111.3E479 I480 K485 Q486 I487E479-L483 WeakPolarHBondContact O-CB 3.41Å; E479-L483 PolarHBondContact O-N 2.91Å; I480-L483 PolarHBondContact O-N 3.49Å; L483-K485 PolarHBondContact O-N 3.32Å; L483-Q486 PolarHBondContact O-N 3.42Å; L483-Q486 VanDerWaalsContact O-N 3.12Å; L483-I487 HydrophobicContact CG-CD1 4.31Å; L483-I487 WeakPolarHBondContact O-CG1 3.5Å; L483-I487 PolarHBondContact O-N 3.25Å
484A83.4Confident80Confident42 Ų42122.3 Ų122.335%0.34758%0.583SS.*Hα-helixtrans-58.1-33.9177.300000112.1I480 R488I480-A484 VanDerWaalsContact O-CB 3.3Å; I480-A484 WeakPolarHBondContact O-CB 3.5Å; I480-A484 PolarHBondContact O-N 3.43Å; A484-R488 WeakPolarHBondContact O-CG 3.34Å; A484-R488 PolarHBondContact O-N 2.86Å
485K84.9Confident80.9Confident137 Ų137120.3 Ų120.360%0.59658%0.575SS**Hα-helixtrans-68.3-46.3175.5-163.9177.3178.4-177.70111.8R481 S482 L483 I487 R488 E489R481-K485 PolarHBondContact O-N 3.37Å; S482-K485 WeakPolarHBondContact O-CB 3.41Å; S482-K485 PolarHBondContact O-N 3.41Å; L483-K485 PolarHBondContact O-N 3.32Å; K485-I487 VanDerWaalsContact C-N 3.3Å; K485-I487 PolarHBondContact O-N 2.82Å; K485-R488 PolarHBondContact O-N 2.69Å; K485-E489 PolarHBondContact O-N 2.59Å; K485-E489 VanDerWaalsContact O-N 3.13Å
486Q86.1Confident81.5Confident118 Ų118117.7 Ų117.755%0.55157%0.565SS**Hα-helixtrans-60.1-39.4176.9-65.2179.113.300112.3S482 L483 E489 K490S482-Q486 PolarHBondContact O-N 3.37Å; L483-Q486 PolarHBondContact O-N 3.42Å; L483-Q486 VanDerWaalsContact O-N 3.12Å; Q486-E489 PolarHBondContact O-N 2.84Å; Q486-K490 PolarHBondContact O-N 2.95Å
487I85.3Confident82.1Confident102 Ų102114.9 Ų114.952%0.52355%0.552SS.*Hα-helixtrans-61.6-45.3176.4-66.2172.7000110.9L483 K485 E489 K490 K491L483-I487 HydrophobicContact CG-CD1 4.31Å; L483-I487 WeakPolarHBondContact O-CG1 3.5Å; L483-I487 PolarHBondContact O-N 3.25Å; K485-I487 VanDerWaalsContact C-N 3.3Å; K485-I487 PolarHBondContact O-N 2.82Å; I487-E489 VanDerWaalsContact C-N 3.34Å; I487-E489 PolarHBondContact O-N 3.21Å; I487-K490 PolarHBondContact O-N 2.89Å; I487-K491 WeakPolarHBondContact O-CB 3.3Å; I487-K491 PolarHBondContact O-N 3.44Å
488R83.5Confident82.8Confident187 Ų187113.6 Ų113.671%0.70655%0.553SS**Hα-helixtrans-61.5-42.8179.4-75.2178.5-178.1177.82.4111.6A484 K485 K491 Q492A484-R488 WeakPolarHBondContact O-CG 3.34Å; A484-R488 PolarHBondContact O-N 2.86Å; K485-R488 PolarHBondContact O-N 2.69Å; R488-K491 PolarHBondContact O-N 3.24Å; R488-Q492 PolarHBondContact O-N 3.26Å; R488-Q492 VanDerWaalsContact O-N 3.16Å
489E85.5Confident83.2Confident105 Ų105115.4 Ų115.449%0.49156%0.56SS.*Hα-helixtrans-65.6-46.8178.9-70.8175-174.800112.2K485 Q486 I487 K491 Q492 L493K485-E489 PolarHBondContact O-N 2.59Å; K485-E489 VanDerWaalsContact O-N 3.13Å; Q486-E489 PolarHBondContact O-N 2.84Å; I487-E489 VanDerWaalsContact C-N 3.34Å; I487-E489 PolarHBondContact O-N 3.21Å; E489-K491 VanDerWaalsContact C-N 3.29Å; E489-K491 PolarHBondContact O-N 3.09Å; E489-Q492 PolarHBondContact O-N 2.84Å; E489-L493 PolarHBondContact O-N 3.24Å; E489-L493 VanDerWaalsContact O-N 3.14Å
490K85.9Confident83.2Confident136 Ų136116.4 Ų116.459%0.59156%0.564SS**Hα-helixtrans-57.5-40.6174.1-93.9-90.7-175.6163.60112.5Q486 I487 Q492 L493 L494Q486-K490 PolarHBondContact O-N 2.95Å; I487-K490 PolarHBondContact O-N 2.89Å; K490-Q492 VanDerWaalsContact C-N 3.34Å; K490-Q492 PolarHBondContact O-N 2.9Å; K490-L493 PolarHBondContact O-N 2.99Å; K490-L494 PolarHBondContact O-N 3.47Å
491K84.9Confident83Confident152 Ų152116.4 Ų116.466%0.66156%0.56SS**Hα-helixtrans-64.9-38.2179.2-158176.6-173.81780111.7I487 R488 E489 V495I487-K491 WeakPolarHBondContact O-CB 3.3Å; I487-K491 PolarHBondContact O-N 3.44Å; R488-K491 PolarHBondContact O-N 3.24Å; E489-K491 VanDerWaalsContact C-N 3.29Å; E489-K491 PolarHBondContact O-N 3.09Å; K491-V495 WeakPolarHBondContact O-CG2 3.22Å; K491-V495 PolarHBondContact O-N 2.87Å
492Q82.1Confident82.9Confident136 Ų136114.1 Ų114.164%0.63656%0.56SS**Hα-helixtrans-65.9-41.3175.3-73.2-178.2-100112.4R488 E489 K490 L494 V495 L496R488-Q492 PolarHBondContact O-N 3.26Å; R488-Q492 VanDerWaalsContact O-N 3.16Å; E489-Q492 PolarHBondContact O-N 2.84Å; K490-Q492 VanDerWaalsContact C-N 3.34Å; K490-Q492 PolarHBondContact O-N 2.9Å; Q492-L494 VanDerWaalsContact C-N 3.34Å; Q492-L494 PolarHBondContact O-N 2.95Å; Q492-V495 PolarHBondContact O-N 3.47Å; Q492-L496 PolarHBondContact O-N 3.48Å; Q492-L496 VanDerWaalsContact O-N 3.11Å
493L85.6Confident82.6Confident107 Ų107116.2 Ų116.256%0.5657%0.57SS**Hα-helixtrans-61.1-40.5176.8-74.4172.4000112.7E489 K490 V495 L496 E497E489-L493 PolarHBondContact O-N 3.24Å; E489-L493 VanDerWaalsContact O-N 3.14Å; K490-L493 PolarHBondContact O-N 2.99Å; L493-V495 VanDerWaalsContact C-N 3.32Å; L493-V495 PolarHBondContact O-N 3.45Å; L493-L496 PolarHBondContact O-N 2.81Å; L493-E497 PolarHBondContact O-N 3.13Å
494L84.4Confident81.5Confident114 Ų114121.7 Ų121.760%0.59759%0.593SS**Hα-helixtrans-62.7-37.8176.2-73170.1000112.6K490 Q492 L496 S498K490-L494 PolarHBondContact O-N 3.47Å; Q492-L494 VanDerWaalsContact C-N 3.34Å; Q492-L494 PolarHBondContact O-N 2.95Å; L494-L496 VanDerWaalsContact C-N 3.35Å; L494-S498 WeakPolarHBondContact O-CB 3.47Å; L494-S498 PolarHBondContact O-N 3.27Å
495V81.2Confident81.1Confident82 Ų82122 Ų12250%0.49760%0.601SS.*Hα-helixtrans-65.4-40175.7173.90000110.9K491 Q492 L493 S498 K499K491-V495 WeakPolarHBondContact O-CG2 3.22Å; K491-V495 PolarHBondContact O-N 2.87Å; Q492-V495 PolarHBondContact O-N 3.47Å; L493-V495 VanDerWaalsContact C-N 3.32Å; L493-V495 PolarHBondContact O-N 3.45Å; V495-S498 PolarHBondContact O-N 3.38Å; V495-K499 PolarHBondContact O-N 3.3Å
496L80.8Confident80.4Confident107 Ų107121.9 Ų121.956%0.5661%0.613SS**Hα-helixtrans-64.8-47176.8-73.5168.2000112Q492 L493 L494 S498 K499 E500Q492-L496 PolarHBondContact O-N 3.48Å; Q492-L496 VanDerWaalsContact O-N 3.11Å; L493-L496 PolarHBondContact O-N 2.81Å; L494-L496 VanDerWaalsContact C-N 3.35Å; L496-S498 VanDerWaalsContact C-N 3.28Å; L496-S498 PolarHBondContact O-N 3.23Å; L496-K499 PolarHBondContact O-N 3.12Å; L496-E500 PolarHBondContact O-N 3Å; L496-E500 VanDerWaalsContact O-N 3.14Å
497E84.6Confident79.9Confident92 Ų92123.8 Ų123.843%0.4362%0.616SS.*Hα-helixtrans-61.1-35.9175.1-81.1-165-169.700112.9L493 K499 E500 K501L493-E497 PolarHBondContact O-N 3.13Å; E497-K499 VanDerWaalsContact C-N 3.3Å; E497-K499 PolarHBondContact O-N 3.17Å; E497-E500 PolarHBondContact O-N 3.2Å; E497-K501 WeakPolarHBondContact O-CG 3.24Å; E497-K501 PolarHBondContact O-N 3.33Å; E497-K501 VanDerWaalsContact O-N 3.15Å; E497-K501 IonicContact OE2-NZ 3.31Å; E497-K501 PolarHBondContact OE2-NZ 2.86Å
498S83.2Confident79.4Confident80 Ų80125.5 Ų125.556%0.55962%0.623SS**Hα-helixtrans-64.1-37.6177.3-1740000111.9L494 V495 L496L494-S498 WeakPolarHBondContact O-CB 3.47Å; L494-S498 PolarHBondContact O-N 3.27Å; V495-S498 PolarHBondContact O-N 3.38Å; L496-S498 VanDerWaalsContact C-N 3.28Å; L496-S498 PolarHBondContact O-N 3.23Å
499K80.3Confident79.1Confident153 Ų153120 Ų12067%0.66561%0.612SS**Hα-helixtrans-67.6-38.5175.2-72.8-178.5177.6-1780111.8V495 L496 E497 K501 D502V495-K499 PolarHBondContact O-N 3.3Å; L496-K499 PolarHBondContact O-N 3.12Å; E497-K499 VanDerWaalsContact C-N 3.3Å; E497-K499 PolarHBondContact O-N 3.17Å; K499-K501 VanDerWaalsContact C-N 3.33Å; K499-K501 PolarHBondContact O-N 3.11Å; K499-D502 PolarHBondContact O-N 3.23Å
500E78.6Confident78.5Confident152 Ų152125.5 Ų125.571%0.7163%0.628SS**Hα-helixtrans-64-37.5177.9-168.2-166.5173.200112.5L496 E497 D502L496-E500 PolarHBondContact O-N 3Å; L496-E500 VanDerWaalsContact O-N 3.14Å; E497-E500 PolarHBondContact O-N 3.2Å; E500-D502 PolarHBondContact O-N 3.48Å
501K77.1Confident78.1Confident117 Ų117125.5 Ų125.551%0.50964%0.64SS.*THydrogen-bonded Turntrans-72.5-6.9179.8-68.5164.4-168.41610113.2E497 K499 V503 R507E497-K501 WeakPolarHBondContact O-CG 3.24Å; E497-K501 PolarHBondContact O-N 3.33Å; E497-K501 VanDerWaalsContact O-N 3.15Å; E497-K501 IonicContact OE2-NZ 3.31Å; E497-K501 PolarHBondContact OE2-NZ 2.86Å; K499-K501 VanDerWaalsContact C-N 3.33Å; K499-K501 PolarHBondContact O-N 3.11Å; K501-V503 PolarHBondContact O-N 3Å; K501-R507 VanDerWaalsContact O-CZ 3.32Å; K501-R507 PolarHBondContact O-NE 3.24Å; K501-R507 PolarHBondContact O-NH2 3.22Å
502D76.3Confident77.5Confident118 Ų118121.3 Ų121.363%0.63163%0.634SS**  trans-93.691.1-179.2-154.615.4000112.4K499 E500 R507K499-D502 PolarHBondContact O-N 3.23Å; E500-D502 PolarHBondContact O-N 3.48Å; D502-R507 VanDerWaalsContact CA-NH2 3.34Å; D502-R507 IonicContact OD1-CZ 3.8Å; D502-R507 IonicContact OD1-NH2 2.8Å; D502-R507 PolarHBondContact OD1-NH2 3.48Å
503V75.4Confident77.1Confident107 Ų107118.3 Ų118.365%0.64863%0.625SS**  trans-113.9142.4-175-1500000110.2K501 G505K501-V503 PolarHBondContact O-N 3Å; V503-G505 PolarHBondContact O-N 3.44Å
504H62.7Low76.5Confident211 Ų211120.9 Ų120.998%0.97763%0.631SS**SBendtrans-76.692.6-178.5-145.358.8000111.3
505G74.4Confident76Confident50 Ų50118.7 Ų118.752%0.51562%0.623SS.*SBendtrans162.7171.7179.100000112.1V503 R507V503-G505 PolarHBondContact O-N 3.44Å; G505-R507 PolarHBondContact O-N 2.89Å
506P70.1Confident75.6Confident133 Ų133121.9 Ų121.986%0.86463%0.632SS**PPolyproline II helixtrans-66.4122176.825.3-30.8000110.6
507R75.3Confident75.2Confident158 Ų158120.6 Ų120.660%0.59662%0.622SS**PPolyproline II helixtrans-72.4129.9177.4-67-175.5-175.4175.83.6110.1K501 D502 G505K501-R507 VanDerWaalsContact O-CZ 3.32Å; K501-R507 PolarHBondContact O-NE 3.24Å; K501-R507 PolarHBondContact O-NH2 3.22Å; D502-R507 VanDerWaalsContact CA-NH2 3.34Å; D502-R507 IonicContact OD1-CZ 3.8Å; D502-R507 IonicContact OD1-NH2 2.8Å; D502-R507 PolarHBondContact OD1-NH2 3.48Å; G505-R507 PolarHBondContact O-N 2.89Å
508M75.7Confident74.7Confident138 Ų138124.7 Ų124.768%0.6864%0.638SS**PPolyproline II helixtrans-64.6130.5175.9-70.8-65.6-70.500110.3A512M508-A512 HydrophobicContact CE-CB 4.09Å
509P76.8Confident74.5Confident73 Ų73127.7 Ų127.747%0.47464%0.641SS.*PPolyproline II helixtrans-67.8142.2177.728-33.4000110.1T511 A512P509-T511 PolarHBondContact O-N 3.5Å; P509-A512 HydrophobicContact CG-CB 4.11Å; P509-A512 PolarHBondContact O-N 3.33Å
510R73.3Confident74.2Confident219 Ų219123.9 Ų123.983%0.82663%0.628SS**THydrogen-bonded Turntrans-58.2-18.2178.4-80.3-179.4141174.5-7113.7
511T76.7Confident74Confident136 Ų136119.1 Ų119.183%0.83461%0.606SS**THydrogen-bonded Turntrans-74.2-23.4175.451.30000113.4P509P509-T511 PolarHBondContact O-N 3.5Å
512A73.8Confident74.1Confident65 Ų65120.4 Ų120.454%0.53761%0.611SS.*THydrogen-bonded Turntrans-88.9-18.2178.600000113M508 P509M508-A512 HydrophobicContact CE-CB 4.09Å; P509-A512 HydrophobicContact CG-CB 4.11Å; P509-A512 PolarHBondContact O-N 3.33Å
513T72.9Confident74.3Confident73 Ų73119.4 Ų119.445%0.44860%0.603SS.*SBendtrans-102.2136.5-178.553.10000111.6V515T513-V515 PolarHBondContact O-N 3.07Å
514K73.3Confident74.5Confident161 Ų161117.4 Ų117.470%0.759%0.587SS**PPolyproline II helixtrans-82.8119.5179.5-165.5175.6-177.8-176.10109.9
515V72.7Confident75.3Confident68 Ų68110 Ų11041%0.41256%0.559SS.*PPolyproline II helixtrans-76.3131.1176.8-177.60000110.3T513 L520T513-V515 PolarHBondContact O-N 3.07Å; V515-L520 HydrophobicContact CG1-CB 4.47Å; V515-L520 HydrophobicContact CG1-CD1 4.44Å
516E73.9Confident75.5Confident148 Ų148113 Ų11369%0.69256%0.563SS**PPolyproline II helixtrans-82129.1173.1-71.7-169.5163.900111.5K518 K519 L520E516-K518 VanDerWaalsContact C-N 3.33Å; E516-K518 PolarHBondContact O-N 3.15Å; E516-K519 PolarHBondContact O-N 3.36Å; E516-L520 PolarHBondContact O-N 3.43Å
517K72.3Confident75.8Confident81 Ų81113.2 Ų113.235%0.35256%0.557SS.*Hα-helixtrans-53.5-46.7-179.1-177.9-177172.6178.20112.7K519 L520 E521K517-K519 VanDerWaalsContact C-N 3.27Å; K517-K519 PolarHBondContact O-N 3.43Å; K517-L520 PolarHBondContact O-N 3.31Å; K517-E521 WeakPolarHBondContact O-CB 3.06Å; K517-E521 PolarHBondContact O-N 3.32Å
518K74.3Confident75.8Confident177 Ų177109 Ų10977%0.7756%0.563SS**Hα-helixtrans-60.7-34.2-175.3-78.6-172174.2-174.50113.4E516 K522E516-K518 VanDerWaalsContact C-N 3.33Å; E516-K518 PolarHBondContact O-N 3.15Å; K518-K522 WeakPolarHBondContact O-CB 3.4Å; K518-K522 PolarHBondContact O-N 3.32Å
519K78.3Confident75.7Confident143 Ų143107.2 Ų107.262%0.62256%0.555SS**Hα-helixtrans-73-43.4-179-166.2175.6-179.5177.30111.1E516 K517 K522 E523E516-K519 PolarHBondContact O-N 3.36Å; K517-K519 VanDerWaalsContact C-N 3.27Å; K517-K519 PolarHBondContact O-N 3.43Å; K519-K522 PolarHBondContact O-N 3.45Å; K519-E523 PolarHBondContact O-N 2.9Å
520L75.1Confident75.5Confident74 Ų74109.7 Ų109.739%0.38756%0.564SS.*Hα-helixtrans-65.8-42.3176.1-16492.2000111.8V515 E516 K517 K522 E523 M524V515-L520 HydrophobicContact CG1-CB 4.47Å; V515-L520 HydrophobicContact CG1-CD1 4.44Å; E516-L520 PolarHBondContact O-N 3.43Å; K517-L520 PolarHBondContact O-N 3.31Å; L520-K522 VanDerWaalsContact C-N 3.3Å; L520-K522 PolarHBondContact O-N 3.1Å; L520-E523 PolarHBondContact O-N 3.24Å; L520-M524 WeakPolarHBondContact O-CG 3.43Å; L520-M524 PolarHBondContact O-N 2.95Å
521E73.7Confident75.1Confident52 Ų52102.8 Ų102.824%0.24354%0.542CS..Hα-helixtrans-57.9-43.3177.8-173.1171.4-179.600111.2K517 S525 M531K517-E521 WeakPolarHBondContact O-CB 3.06Å; K517-E521 PolarHBondContact O-N 3.32Å; E521-S525 WeakPolarHBondContact O-CB 2.91Å; E521-S525 PolarHBondContact O-N 3.47Å; E521-S525 PolarHBondContact O-OG 3.33Å; E521-M531 HydrophobicContact CG-CB 3.94Å; E521-M531 HydrophobicContact CG-CG 4.4Å
522K79.7Confident74.5Confident144 Ų14499.4 Ų99.463%0.62652%0.524SS*.Hα-helixtrans-69.2-36.9178.5-167.5177.8-178.2-177.90113.6K518 K519 L520 S525 N526K518-K522 WeakPolarHBondContact O-CB 3.4Å; K518-K522 PolarHBondContact O-N 3.32Å; K519-K522 PolarHBondContact O-N 3.45Å; L520-K522 VanDerWaalsContact C-N 3.3Å; L520-K522 PolarHBondContact O-N 3.1Å; K522-S525 WeakPolarHBondContact CA-OG 3.26Å; K522-S525 PolarHBondContact O-OG 3.21Å; K522-N526 WeakPolarHBondContact O-CB 3.43Å; K522-N526 PolarHBondContact O-N 3.04Å; K522-N526 PolarHBondContact O-ND2 2.98Å; K522-N526 PolarHBondContact O-OD1 3.24Å
523E80.2Confident73.7Confident97 Ų97104.1 Ų104.145%0.45354%0.54SS..Hα-helixtrans-69.9-40.6177.5-79.5177.9-168.800111.9K519 L520 N526 L527K519-E523 PolarHBondContact O-N 2.9Å; L520-E523 PolarHBondContact O-N 3.24Å; E523-N526 PolarHBondContact O-N 3.01Å; E523-L527 PolarHBondContact O-N 3.47Å
524M79.2Confident73Confident64 Ų64106.2 Ų106.232%0.31554%0.543SS..Hα-helixtrans-72.3-38.3178.8-65-61.9166.300112.3L520 N526 L527 G528 L529 M531L520-M524 WeakPolarHBondContact O-CG 3.43Å; L520-M524 PolarHBondContact O-N 2.95Å; M524-N526 VanDerWaalsContact C-N 3.28Å; M524-N526 PolarHBondContact O-N 3.45Å; M524-L527 PolarHBondContact O-N 3.26Å; M524-L527 VanDerWaalsContact O-N 3.1Å; M524-L527 HydrophobicContact SD-CD1 4.48Å; M524-G528 PolarHBondContact O-N 3.41Å; M524-L529 HydrophobicContact CB-CB 4.37Å; M524-L529 HydrophobicContact CB-CD1 4.44Å; M524-L529 WeakPolarHBondContact O-CB 3.36Å; M524-L529 PolarHBondContact O-N 3.08Å; M524-L529 VanDerWaalsContact O-N 3.12Å; M524-L529 HydrophobicContact SD-CD1 3.95Å; M524-M531 HydrophobicContact CB-CG 4.14Å; M524-M531 HydrophobicContact CB-SD 4.09Å
525S79.2Confident71.9Confident57 Ų57104 Ų10440%0.39954%0.539SS..Hα-helixtrans-62.3-36.9173.766.90000112.2E521 K522 L527 G528 L529E521-S525 WeakPolarHBondContact O-CB 2.91Å; E521-S525 PolarHBondContact O-N 3.47Å; E521-S525 PolarHBondContact O-OG 3.33Å; K522-S525 WeakPolarHBondContact CA-OG 3.26Å; K522-S525 PolarHBondContact O-OG 3.21Å; S525-L527 PolarHBondContact O-N 2.9Å; S525-G528 PolarHBondContact O-N 2.87Å; S525-L529 WeakPolarHBondContact CA-O 3.26Å
526N78.9Confident71.1Confident112 Ų112108.6 Ų108.660%0.59956%0.561SS**THydrogen-bonded Turntrans-68.8-18.1176.9-74-7.7000113.6K522 E523 M524 G528K522-N526 WeakPolarHBondContact O-CB 3.43Å; K522-N526 PolarHBondContact O-N 3.04Å; K522-N526 PolarHBondContact O-ND2 2.98Å; K522-N526 PolarHBondContact O-OD1 3.24Å; E523-N526 PolarHBondContact O-N 3.01Å; M524-N526 VanDerWaalsContact C-N 3.28Å; M524-N526 PolarHBondContact O-N 3.45Å; N526-G528 VanDerWaalsContact C-N 3.32Å
527L77.4Confident70.3Confident138 Ų138104.1 Ų104.172%0.72355%0.546SS*.THydrogen-bonded Turntrans-91.22.7172.7-75.2157.4000112.1E523 M524 S525E523-L527 PolarHBondContact O-N 3.47Å; M524-L527 PolarHBondContact O-N 3.26Å; M524-L527 VanDerWaalsContact O-N 3.1Å; M524-L527 HydrophobicContact SD-CD1 4.48Å; S525-L527 PolarHBondContact O-N 2.9Å
528G73.9Confident69.5Low70 Ų70107.3 Ų107.372%0.72256%0.562SS**THydrogen-bonded Turntrans86.511.1178.800000114.7M524 S525 N526M524-G528 PolarHBondContact O-N 3.41Å; S525-G528 PolarHBondContact O-N 2.87Å; N526-G528 VanDerWaalsContact C-N 3.32Å
529L74.9Confident68.6Low99 Ų99104 Ų10452%0.51855%0.545SS..  trans-86123174.1-67.7166.6000109.9M524 S525 M531M524-L529 HydrophobicContact CB-CB 4.37Å; M524-L529 HydrophobicContact CB-CD1 4.44Å; M524-L529 WeakPolarHBondContact O-CB 3.36Å; M524-L529 PolarHBondContact O-N 3.08Å; M524-L529 VanDerWaalsContact O-N 3.12Å; M524-L529 HydrophobicContact SD-CD1 3.95Å; S525-L529 WeakPolarHBondContact CA-O 3.26Å; L529-M531 PolarHBondContact O-N 3Å
530D71.7Confident67.5Low125 Ų12598.6 Ų98.667%0.66853%0.528SS*.  trans-74.2123.8175.6-169.58.1000110.8S532D530-S532 WeakPolarHBondContact OD1-CB 3.41Å; D530-S532 PolarHBondContact OD1-N 3.14Å; D530-S532 PolarHBondContact OD1-OG 3.39Å; D530-S532 PolarHBondContact OD2-OG 3.41Å
531M65.8Low66.5Low75 Ų75100.3 Ų100.337%0.36954%0.537SS..  trans-107.915.2179.8-62.5-64.9-64.800111.7E521 M524 L529E521-M531 HydrophobicContact CG-CB 3.94Å; E521-M531 HydrophobicContact CG-CG 4.4Å; M524-M531 HydrophobicContact CB-CG 4.14Å; M524-M531 HydrophobicContact CB-SD 4.09Å; L529-M531 PolarHBondContact O-N 3Å
532S63.3Low65.5Low65 Ų65102.4 Ų102.446%0.45555%0.546SS..  trans-74.3-24.8-178.774.30000113.9D530 K534D530-S532 WeakPolarHBondContact OD1-CB 3.41Å; D530-S532 PolarHBondContact OD1-N 3.14Å; D530-S532 PolarHBondContact OD1-OG 3.39Å; D530-S532 PolarHBondContact OD2-OG 3.41Å; S532-K534 PolarHBondContact O-N 3.37Å
533D56.6Low64.2Low164 Ų16498.3 Ų98.388%0.87754%0.539SS*.  trans-73.973.7173-81.9-19000111.8
534K57.9Low63Low117 Ų117103.7 Ų103.751%0.50956%0.556SS.*  trans-78.7121.9171-67.9163.7-176.81650107.6S532S532-K534 PolarHBondContact O-N 3.37Å
535N51.7Low61.6Low115 Ų115112 Ų11262%0.61558%0.583SS**SBend177.6-12.7128.7-82.4-30.5000116.1
536D55.8Low60.4Low164 Ų164113.6 Ų113.688%0.87759%0.594SS**SBendtrans-10510.3-176.2-76.5-19.6000116.3
537S57.4Low59.1Low53 Ų53118.3 Ų118.337%0.37160%0.604SS.*SBendtrans-83.4142.8172.758.40000111.7Y539 A540S537-Y539 PolarHBondContact O-N 3.35Å; S537-A540 PolarHBondContact O-N 3.09Å
538H54.6Low58.1Low149 Ų149117 Ų11769%0.6961%0.606SS**Hα-helixtrans-49.9-23-179.4-170-72.3000114Q542H538-Q542 PolarHBondContact O-N 2.98Å
539Y56.2Low57.3Low106 Ų106122.1 Ų122.142%0.41662%0.616SS.*Hα-helixtrans-73.6-31.1177.3-60.8-74.1000114.4S537S537-Y539 PolarHBondContact O-N 3.35Å
540A55Low56.4Low30 Ų30123.5 Ų123.525%0.24863%0.629CS.*Hα-helixtrans-76.7-36.8176.500000111.8S537 Q542 A543S537-A540 PolarHBondContact O-N 3.09Å; A540-Q542 VanDerWaalsContact C-N 3.26Å; A540-Q542 PolarHBondContact O-N 3.16Å; A540-A543 PolarHBondContact O-N 3.19Å
541L53.7Low55.1Low111 Ų111129.1 Ų129.158%0.58164%0.641SS**Hα-helixtrans-59.2-36.8172.6-79.4161.3000112.1A543 R544 R545L541-A543 VanDerWaalsContact C-N 3.35Å; L541-A543 PolarHBondContact O-N 2.89Å; L541-R544 PolarHBondContact O-N 3.4Å; L541-R545 PolarHBondContact O-N 3.37Å; L541-R545 VanDerWaalsContact O-N 3.09Å
542Q51.8Low54Low95 Ų95134.2 Ų134.244%0.44466%0.661SS.*Hα-helixtrans-66.1-35-179.9-163.6176.930.400112.8H538 A540 R544 R545 S546H538-Q542 PolarHBondContact O-N 2.98Å; A540-Q542 VanDerWaalsContact C-N 3.26Å; A540-Q542 PolarHBondContact O-N 3.16Å; Q542-R544 VanDerWaalsContact C-N 3.33Å; Q542-R544 PolarHBondContact O-N 3.11Å; Q542-R545 PolarHBondContact O-N 3.48Å; Q542-S546 VanDerWaalsContact O-CB 3.24Å; Q542-S546 WeakPolarHBondContact O-CB 3.38Å; Q542-S546 PolarHBondContact O-N 3.01Å; Q542-S546 PolarHBondContact O-OG 3.13Å
543A53Low53.2Low58 Ų58142 Ų14248%0.47968%0.68SS.*Hα-helixtrans-71.5-26.2178.600000113.1A540 L541A540-A543 PolarHBondContact O-N 3.19Å; L541-A543 VanDerWaalsContact C-N 3.35Å; L541-A543 PolarHBondContact O-N 2.89Å
544R53.9Low53.2Low211 Ų211144 Ų14480%0.79668%0.681SS**Hα-helixtrans-78.8-35.1171.7-72.3-174.1173-177-0.5112.2L541 Q542L541-R544 PolarHBondContact O-N 3.4Å; Q542-R544 VanDerWaalsContact C-N 3.33Å; Q542-R544 PolarHBondContact O-N 3.11Å
545R50.1Low52.4Low238 Ų238146.8 Ų146.890%0.89869%0.689SS**Hα-helixtrans-78.4-25.9179-152.5179.6-173.2-173.92.9113.7L541 Q542L541-R545 PolarHBondContact O-N 3.37Å; L541-R545 VanDerWaalsContact O-N 3.09Å; Q542-R545 PolarHBondContact O-N 3.48Å
546S54.1Low51.9Low90 Ų90149.5 Ų149.563%0.62970%0.697SS**SBendtrans-87.4-6-175.465.30000115.1Q542Q542-S546 VanDerWaalsContact O-CB 3.24Å; Q542-S546 WeakPolarHBondContact O-CB 3.38Å; Q542-S546 PolarHBondContact O-N 3.01Å; Q542-S546 PolarHBondContact O-OG 3.13Å
547R52.3Low51.6Low211 Ų211146.7 Ų146.780%0.79670%0.697SS**SBendtrans-97113.7172.1-72.4-177.6176.9173.9-0.2109.5
548S55.8Low51Low111 Ų111149.2 Ų149.278%0.77672%0.715SS**  trans-69128.5178.846.30000111.6
549L57.8Low50.9Low177 Ų177146.3 Ų146.393%0.92772%0.717SS**  trans-84.4125.6170.2-80.1162.3000109.8R551L549-R551 PolarHBondContact O-N 3.38Å
550T54.9Low51Low128 Ų128146.7 Ų146.779%0.78573%0.732SS**  trans-88.2103.8-17338.10000111.6
551R44.4Very low50.6Low243 Ų243150 Ų15092%0.91775%0.751SS**  trans-90.4150.8161.9-154.7175.2177.5-173.2-0.8108.2L549 R553L549-R551 PolarHBondContact O-N 3.38Å; R551-R553 PolarHBondContact O-N 3.12Å
552K43.9Very low50.6Low183 Ų183151.6 Ų151.680%0.79677%0.766SS**SBendtrans-37.188.8-172.1-149.4179-167.4177.90115.2
553R46.7Very low50Low227 Ų227151.5 Ų151.586%0.85778%0.775SS**  trans-159.349.2149-128.7-178.1-171.3171.43.1110.7R551 R555R551-R553 PolarHBondContact O-N 3.12Å; R553-R555 PolarHBondContact O-N 3.14Å
554K57.2Low49.9Very low206 Ų206155.8 Ų155.890%0.89678%0.783SS**  trans-82.678.8138.8-85.8-171.5178.1-179.50105.7
555R40.6Very low49.1Very low177 Ų177151.6 Ų151.667%0.66878%0.781SS**  trans-144.9133.4166.5-83.8-165.7176.7179.4-4.9108.6R553R553-R555 PolarHBondContact O-N 3.14Å
556E41.4Very low48.9Very low171 Ų171152.2 Ų152.280%0.79978%0.784SS**  trans89.2114.3162.7-68.3159-151.900116.8
557A49.4Very low48.3Very low106 Ų106153.6 Ų153.688%0.87679%0.794SS**  trans-59.3130163.300000109.3
558S44.7Very low47.8Very low105 Ų105148.9 Ų148.973%0.73478%0.78SS**  trans178.3125.8163.346.60000109.5
559A52.6Low47.1Very low89 Ų89148.8 Ų148.874%0.73678%0.78SS**  trans-56.7174.2152.800000110.3
560P57.5Low46.6Very low114 Ų114143.6 Ų143.674%0.7476%0.763SS**  cis-122.6-148.8-3126.3-1.7000110
561P47.2Very low46.5Very low100 Ų100142.8 Ų142.865%0.64976%0.762SS**  -145.9145.295.437.6-20.6000116.4S563P561-S563 PolarHBondContact O-N 2.94Å; P561-S563 VanDerWaalsContact O-N 3.09Å
562T52.4Low47.2Very low143 Ų143141.2 Ų141.288%0.87776%0.756SS**  trans-49.6100.2141.843.80000110.1
563S39.7Very low48Very low93 Ų93136.4 Ų136.465%0.6574%0.744SS**  trans-150.2108.6164.161.30000111.8P561P561-S563 PolarHBondContact O-N 2.94Å; P561-S563 VanDerWaalsContact O-N 3.09Å
564K52.2Low49Very low148 Ų148127.5 Ų127.564%0.64372%0.715SS**  trans-44.5144.6158.1-67.1168.2172.8173.40111.3A570K564-A570 HydrophobicContact CD-CB 4.25Å
565T36.9Very low49.9Very low123 Ų123129.1 Ų129.176%0.75572%0.715SS**  trans-90.2142.4169.2-18.80000111.2S567 Q568T565-S567 PolarHBondContact O-N 3.37Å; T565-Q568 PolarHBondContact O-N 3.18Å
566R44.3Very low51.3Low251 Ų251124.2 Ų124.295%0.94770%0.703SS**THydrogen-bonded Turntrans-69.926.7-160.1-157.9175.6179.5178.6-0.6116.8
567S42.6Very low53Low120 Ų120120.3 Ų120.384%0.83968%0.684SS**THydrogen-bonded Turntrans-117.2-1165.955.40000113.1T565T565-S567 PolarHBondContact O-N 3.37Å
568Q42.4Very low54.2Low111 Ų111118.5 Ų118.552%0.51967%0.665SS.*SBendtrans-94.8100.5152.1-71.7-170-0.700108.4T565 A570T565-Q568 PolarHBondContact O-N 3.18Å; Q568-A570 VanDerWaalsContact C-N 3.33Å; Q568-A570 PolarHBondContact O-N 3.21Å
569S39.2Very low55.9Low110 Ų110116.9 Ų116.977%0.76967%0.665SS**  trans-52.9105.5151.138.30000107.3S571S569-S571 VanDerWaalsContact C-N 3.35Å; S569-S571 PolarHBondContact O-N 3.37Å
570A49.2Very low57.2Low68 Ų68115.3 Ų115.356%0.56264%0.644SS**THydrogen-bonded Turntrans-67.999.3169.200000107.8K564 Q568K564-A570 HydrophobicContact CD-CB 4.25Å; Q568-A570 VanDerWaalsContact C-N 3.33Å; Q568-A570 PolarHBondContact O-N 3.21Å
571S51.1Low58Low110 Ų110119.9 Ų119.977%0.76965%0.647SS**THydrogen-bonded Turntrans-128.7-14.1144.564.90000112.2S569S569-S571 VanDerWaalsContact C-N 3.35Å; S569-S571 PolarHBondContact O-N 3.37Å
572R58.9Low59.5Low211 Ų211118.7 Ų118.780%0.79664%0.635SS**SBendtrans-137.2132.9-179-71.8179.6158.1163.6-6112.6
573P62.5Low60.7Low82 Ų82118 Ų11853%0.53263%0.63SS.*  trans-60.1149.8167.718.2-23.1000110.9
574P66.9Low62.7Low39 Ų39122.1 Ų122.125%0.25364%0.636SS.*  trans-52.1140176.2-27.335.8000111.7D576 Q577 S578P574-D576 WeakPolarHBondContact CB-OD1 3.15Å; P574-D576 PolarHBondContact O-N 3.38Å; P574-D576 VanDerWaalsContact O-N 3.1Å; P574-Q577 CarbonylContact O-C 3.6Å; P574-Q577 WeakPolarHBondContact O-CA 3.47Å; P574-Q577 PolarHBondContact O-N 2.83Å; P574-S578 PolarHBondContact O-N 3.48Å
575R75.1Confident64.1Low240 Ų240119.6 Ų119.691%0.90663%0.628SS**THydrogen-bonded Turntrans-60.4-25.1-172.1-158.3177.3179.6-178.7-0.6113.5Q577R575-Q577 VanDerWaalsContact C-N 3.27Å
576D71.9Confident66.2Low75 Ų75114.7 Ų114.740%0.40160%0.598SS.*THydrogen-bonded Turntrans-76.5-12.1174.568.6-40.8000113.5P574 K590P574-D576 WeakPolarHBondContact CB-OD1 3.15Å; P574-D576 PolarHBondContact O-N 3.38Å; P574-D576 VanDerWaalsContact O-N 3.1Å; D576-K590 WeakPolarHBondContact OD2-CE 3.45Å; D576-K590 IonicContact OD2-NZ 3.06Å; D576-K590 PolarHBondContact OD2-NZ 3.34Å
577Q76.1Confident68Low88 Ų88110.7 Ų110.741%0.41159%0.587SS.*THydrogen-bonded Turntrans-118-31.3-176.8-63.9173.436.100112.6P574 R575 G579 L580 V586P574-Q577 CarbonylContact O-C 3.6Å; P574-Q577 WeakPolarHBondContact O-CA 3.47Å; P574-Q577 PolarHBondContact O-N 2.83Å; R575-Q577 VanDerWaalsContact C-N 3.27Å; Q577-G579 PolarHBondContact O-N 3.4Å; Q577-G579 VanDerWaalsContact O-N 3.14Å; Q577-L580 PolarHBondContact O-N 2.98Å; Q577-L580 VanDerWaalsContact O-N 3.12Å; Q577-V586 HydrophobicContact CG-CG1 4.01Å; Q577-V586 HydrophobicContact CG-CG2 4.31Å
578S75.6Confident70.1Confident69 Ų69111.7 Ų111.748%0.48358%0.577SS.*THydrogen-bonded Turntrans-61-24.8-173.265.30000114.9P574P574-S578 PolarHBondContact O-N 3.48Å
579G79Confident72.1Confident71 Ų71107.9 Ų107.973%0.73256%0.564SS**THydrogen-bonded Turntrans-99.96.6-179.800000114.7Q577Q577-G579 PolarHBondContact O-N 3.4Å; Q577-G579 VanDerWaalsContact O-N 3.14Å
580L80.5Confident74.4Confident56 Ų56107.3 Ų107.329%0.29355%0.548SS..  trans-122.1131.2-175.7-64.6174.5000110Q577 V586 A589Q577-L580 PolarHBondContact O-N 2.98Å; Q577-L580 VanDerWaalsContact O-N 3.12Å; L580-V586 HydrophobicContact CB-CG2 3.87Å; L580-V586 HydrophobicContact CD1-CB 4.34Å; L580-V586 HydrophobicContact CD1-CG2 3.99Å; L580-A589 HydrophobicContact CD1-CB 3.61Å
581R75Confident76.2Confident209 Ų209111 Ų11179%0.78955%0.551SS**SBendtrans-65.2-45.6-171-164.3-179.774.8-176.15.8113.6M585R581-M585 HydrophobicContact CB-SD 4.44Å
582D77.6Confident78Confident76 Ų76111 Ų11141%0.40654%0.54SS..SBendtrans-131.4152.4-169.2-63.3-47000112.5K584 M585 V586D582-K584 PolarHBondContact O-N 3.33Å; D582-K584 VanDerWaalsContact O-N 3.14Å; D582-M585 WeakPolarHBondContact O-CA 3.42Å; D582-M585 WeakPolarHBondContact O-CB 3.49Å; D582-M585 PolarHBondContact O-N 3.29Å; D582-V586 PolarHBondContact O-N 3.41Å; D582-V586 VanDerWaalsContact O-N 3.08Å
583V76.9Confident79.3Confident127 Ų127105.2 Ų105.277%0.7752%0.523SS*.Hα-helixtrans-58.3-31.7179.6-175.10000112.2V586 K587V583-V586 PolarHBondContact O-N 3.23Å; V583-K587 PolarHBondContact O-N 3.21Å
584K82.5Confident80.5Confident181 Ų181108 Ų10879%0.78753%0.527SS*.Hα-helixtrans-63.7-39.2173.3-71.4-178.1-179.3176.40111.8D582 K587 K588D582-K584 PolarHBondContact O-N 3.33Å; D582-K584 VanDerWaalsContact O-N 3.14Å; K584-K587 PolarHBondContact O-N 3.32Å; K584-K588 PolarHBondContact O-N 3.04Å
585M81.1Confident81.5Confident95 Ų95109.8 Ų109.847%0.46853%0.534SS..Hα-helixtrans-70.5-37.8175.7-69.9-16979.800111.9R581 D582 K587 K588 A589R581-M585 HydrophobicContact CB-SD 4.44Å; D582-M585 WeakPolarHBondContact O-CA 3.42Å; D582-M585 WeakPolarHBondContact O-CB 3.49Å; D582-M585 PolarHBondContact O-N 3.29Å; M585-K587 VanDerWaalsContact C-N 3.3Å; M585-K587 PolarHBondContact O-N 3.21Å; M585-K588 PolarHBondContact O-N 2.92Å; M585-A589 WeakPolarHBondContact O-CB 3.35Å; M585-A589 PolarHBondContact O-N 2.99Å
586V81.1Confident82.1Confident20 Ų20102.3 Ų102.312%0.12152%0.519CS..Hα-helixtrans-57.6-44.8171.5178.50000110.8Q577 L580 D582 V583 K588 A589 K590Q577-V586 HydrophobicContact CG-CG1 4.01Å; Q577-V586 HydrophobicContact CG-CG2 4.31Å; L580-V586 HydrophobicContact CB-CG2 3.87Å; L580-V586 HydrophobicContact CD1-CB 4.34Å; L580-V586 HydrophobicContact CD1-CG2 3.99Å; D582-V586 PolarHBondContact O-N 3.41Å; D582-V586 VanDerWaalsContact O-N 3.08Å; V583-V586 PolarHBondContact O-N 3.23Å; V586-K588 PolarHBondContact O-N 3.42Å; V586-A589 PolarHBondContact O-N 3.15Å; V586-K590 PolarHBondContact O-N 3.48Å
587K83.4Confident82.8Confident166 Ų166101.8 Ų101.872%0.72251%0.514SS*.Hα-helixtrans-65.2-39.1177.2-155.7176.4-175.1178.10111.9V583 K584 M585 K591V583-K587 PolarHBondContact O-N 3.21Å; K584-K587 PolarHBondContact O-N 3.32Å; M585-K587 VanDerWaalsContact C-N 3.3Å; M585-K587 PolarHBondContact O-N 3.21Å; K587-K591 PolarHBondContact O-N 2.98Å; K587-K591 VanDerWaalsContact O-N 3.09Å
588K86.1Confident83.4Confident142 Ų142105.7 Ų105.762%0.61753%0.525SS*.Hα-helixtrans-65-45175.2-168.1178-179.3-179.30111.7K584 M585 V586 K591 M592K584-K588 PolarHBondContact O-N 3.04Å; M585-K588 PolarHBondContact O-N 2.92Å; V586-K588 PolarHBondContact O-N 3.42Å; K588-K591 WeakPolarHBondContact O-CB 3.47Å; K588-K591 PolarHBondContact O-N 2.88Å; K588-K591 VanDerWaalsContact O-N 3.16Å; K588-M592 HydrophobicContact CG-CE 4.4Å; K588-M592 WeakPolarHBondContact O-CG 3.37Å; K588-M592 PolarHBondContact O-N 3.1Å
589A85.1Confident84Confident31 Ų31106.8 Ų106.826%0.25653%0.525SS..Hα-helixtrans-62-43.9176.800000112L580 M585 V586 K591 M592 M593L580-A589 HydrophobicContact CD1-CB 3.61Å; M585-A589 WeakPolarHBondContact O-CB 3.35Å; M585-A589 PolarHBondContact O-N 2.99Å; V586-A589 PolarHBondContact O-N 3.15Å; A589-K591 VanDerWaalsContact C-N 3.28Å; A589-K591 PolarHBondContact O-N 3.28Å; A589-M592 PolarHBondContact O-N 3.28Å; A589-M593 WeakPolarHBondContact O-CB 3.47Å; A589-M593 PolarHBondContact O-N 3.22Å
590K85.7Confident84.3Confident98 Ų98105.6 Ų105.643%0.42650%0.501SS..Hα-helixtrans-61.5-34.9173.4-76-167.5177.5-177.10112.9D576 V586 K594D576-K590 WeakPolarHBondContact OD2-CE 3.45Å; D576-K590 IonicContact OD2-NZ 3.06Å; D576-K590 PolarHBondContact OD2-NZ 3.34Å; V586-K590 PolarHBondContact O-N 3.48Å; K590-K594 WeakPolarHBondContact O-CG 3.49Å; K590-K594 PolarHBondContact O-N 3.25Å; K590-K594 VanDerWaalsContact O-N 3.11Å
591K87.9Confident84.6Confident144 Ų144107.7 Ų107.763%0.62651%0.513SS*.Hα-helixtrans-69.1-41.8174.7-165176.1-177.5-178.90111.6K587 K588 A589 K594 N595K587-K591 PolarHBondContact O-N 2.98Å; K587-K591 VanDerWaalsContact O-N 3.09Å; K588-K591 WeakPolarHBondContact O-CB 3.47Å; K588-K591 PolarHBondContact O-N 2.88Å; K588-K591 VanDerWaalsContact O-N 3.16Å; A589-K591 VanDerWaalsContact C-N 3.28Å; A589-K591 PolarHBondContact O-N 3.28Å; K591-K594 PolarHBondContact O-N 3.47Å; K591-N595 PolarHBondContact O-N 3.45Å
592M88.5Confident85.3Confident111 Ų111107 Ų10755%0.54751%0.511SS..Hα-helixtrans-64-42.3175.8-70.2-172.4-63.500112.1K588 A589 K594 N595 S596K588-M592 HydrophobicContact CG-CE 4.4Å; K588-M592 WeakPolarHBondContact O-CG 3.37Å; K588-M592 PolarHBondContact O-N 3.1Å; A589-M592 PolarHBondContact O-N 3.28Å; M592-K594 PolarHBondContact O-N 2.98Å; M592-N595 PolarHBondContact O-N 2.9Å; M592-N595 VanDerWaalsContact O-N 3.13Å; M592-S596 PolarHBondContact O-N 2.78Å; M592-S596 PolarHBondContact O-OG 2.9Å
593M87.2Confident85.6Confident89 Ų89109 Ų10944%0.43852%0.517SS..Hα-helixtrans-58.5-46173.6-178.5-161.177.600112.1A589 N595 S596 Q597A589-M593 WeakPolarHBondContact O-CB 3.47Å; A589-M593 PolarHBondContact O-N 3.22Å; M593-N595 VanDerWaalsContact C-N 3.26Å; M593-N595 PolarHBondContact O-N 3.43Å; M593-S596 PolarHBondContact O-N 2.79Å; M593-S596 PolarHBondContact O-OG 3.24Å; M593-Q597 WeakPolarHBondContact O-CG 3.44Å; M593-Q597 PolarHBondContact O-N 3.14Å
594K86.5Confident86.1Confident142 Ų142107 Ų10762%0.61751%0.514SS*.Hα-helixtrans-64.2-32.9176-74.5-175.3177.2-169.20112.5K590 K591 M592K590-K594 WeakPolarHBondContact O-CG 3.49Å; K590-K594 PolarHBondContact O-N 3.25Å; K590-K594 VanDerWaalsContact O-N 3.11Å; K591-K594 PolarHBondContact O-N 3.47Å; M592-K594 PolarHBondContact O-N 2.98Å
595N88.9Confident86.3Confident76 Ų76102.9 Ų102.941%0.40649%0.493SS..Hα-helixtrans-73.2-40.9176.9-75.5-7000111.9K591 M592 M593 Q597 R598K591-N595 PolarHBondContact O-N 3.45Å; M592-N595 PolarHBondContact O-N 2.9Å; M592-N595 VanDerWaalsContact O-N 3.13Å; M593-N595 VanDerWaalsContact C-N 3.26Å; M593-N595 PolarHBondContact O-N 3.43Å; N595-Q597 VanDerWaalsContact C-N 3.26Å; N595-Q597 PolarHBondContact O-N 3.13Å; N595-R598 WeakPolarHBondContact O-CB 3.28Å; N595-R598 WeakPolarHBondContact O-CG 3.44Å; N595-R598 PolarHBondContact O-N 3.31Å
596S86.8Confident86.6Confident83 Ų83108 Ų10858%0.5851%0.513SS*.Hα-helixtrans-66.3-28.8178.264.40000112.8M592 M593 R598M592-S596 PolarHBondContact O-N 2.78Å; M592-S596 PolarHBondContact O-OG 2.9Å; M593-S596 PolarHBondContact O-N 2.79Å; M593-S596 PolarHBondContact O-OG 3.24Å; S596-R598 VanDerWaalsContact C-N 3.27Å; S596-R598 PolarHBondContact O-N 3.44Å
597Q87.5Confident86.9Confident64 Ų64108.5 Ų108.530%0.29952%0.522SS..THydrogen-bonded Turntrans-74-11176.4-71.3173.3-10.900114.3M593 N595 D599 M600 N601M593-Q597 WeakPolarHBondContact O-CG 3.44Å; M593-Q597 PolarHBondContact O-N 3.14Å; N595-Q597 VanDerWaalsContact C-N 3.26Å; N595-Q597 PolarHBondContact O-N 3.13Å; Q597-D599 VanDerWaalsContact C-N 3.35Å; Q597-D599 PolarHBondContact O-N 3Å; Q597-M600 HydrophobicContact CB-CE 4.28Å; Q597-M600 HydrophobicContact CG-CE 3.87Å; Q597-M600 PolarHBondContact O-N 3.1Å; Q597-N601 WeakPolarHBondContact O-CB 3.33Å; Q597-N601 VanDerWaalsContact O-CG 3.22Å; Q597-N601 PolarHBondContact O-N 2.87Å; Q597-N601 PolarHBondContact O-OD1 2.99Å
598R88.6Confident87Confident169 Ų169107.3 Ų107.364%0.63852%0.519SS*.Hα-helixtrans-60-39.8-174.9-74.2-178.3175.6-164.4-4.4113.5N595 S596 N601 R602N595-R598 WeakPolarHBondContact O-CB 3.28Å; N595-R598 WeakPolarHBondContact O-CG 3.44Å; N595-R598 PolarHBondContact O-N 3.31Å; S596-R598 VanDerWaalsContact C-N 3.27Å; S596-R598 PolarHBondContact O-N 3.44Å; R598-N601 PolarHBondContact O-N 3.35Å; R598-R602 VanDerWaalsContact O-CB 3.3Å; R598-R602 WeakPolarHBondContact O-CB 3.46Å; R598-R602 PolarHBondContact O-N 2.76Å
599D87.5Confident87Confident92 Ų92105.3 Ų105.349%0.49252%0.523SS..Hα-helixtrans-67.9-40.6-179.7-81.1-30.4000112.5Q597 R602 Q603Q597-D599 VanDerWaalsContact C-N 3.35Å; Q597-D599 PolarHBondContact O-N 3Å; D599-R602 PolarHBondContact O-N 2.91Å; D599-R602 IonicContact OD1-CZ 3.44Å; D599-R602 IonicContact OD1-NE 3.59Å; D599-R602 IonicContact OD1-NH2 2.7Å; D599-R602 PolarHBondContact OD1-NH2 3.48Å; D599-Q603 WeakPolarHBondContact O-CG 3.46Å; D599-Q603 PolarHBondContact O-N 2.89Å
600M85.8Confident86.9Confident46 Ų46106 Ų10623%0.22752%0.523CS..Hα-helixtrans-64.3-43.3174.6-65.3-171.8-64.900111.2Q597 R602 Q603 A604 R605 E608Q597-M600 HydrophobicContact CB-CE 4.28Å; Q597-M600 HydrophobicContact CG-CE 3.87Å; Q597-M600 PolarHBondContact O-N 3.1Å; M600-R602 VanDerWaalsContact C-N 3.33Å; M600-R602 PolarHBondContact O-N 2.98Å; M600-Q603 CarbonylContact O-C 3.58Å; M600-Q603 PolarHBondContact O-N 3.2Å; M600-A604 PolarHBondContact O-N 3.17Å; M600-R605 HydrophobicContact CB-CB 4.35Å; M600-R605 PolarHBondContact O-N 2.81Å; M600-E608 HydrophobicContact CE-CB 3.99Å; M600-E608 VanDerWaalsContact SD-CA 3.59Å; M600-E608 HydrophobicContact SD-CB 3.91Å
601N87.7Confident87Confident101 Ų101110.6 Ų110.654%0.5454%0.537SS..Hα-helixtrans-65-37.7176.8-67-8.5000111.6Q597 R598 Q603 A604Q597-N601 WeakPolarHBondContact O-CB 3.33Å; Q597-N601 VanDerWaalsContact O-CG 3.22Å; Q597-N601 PolarHBondContact O-N 2.87Å; Q597-N601 PolarHBondContact O-OD1 2.99Å; R598-N601 PolarHBondContact O-N 3.35Å; N601-Q603 VanDerWaalsContact C-N 3.31Å; N601-Q603 PolarHBondContact O-N 3.03Å; N601-A604 WeakPolarHBondContact O-CA 3.12Å; N601-A604 PolarHBondContact O-N 3.16Å
602R88.6Confident86.9Confident195 Ų195109.6 Ų109.674%0.73653%0.534SS*.Hα-helixtrans-64.4-35.3175.2-179.5170.660.8163.9-1.6112.1R598 D599 M600 A604R598-R602 VanDerWaalsContact O-CB 3.3Å; R598-R602 WeakPolarHBondContact O-CB 3.46Å; R598-R602 PolarHBondContact O-N 2.76Å; D599-R602 PolarHBondContact O-N 2.91Å; D599-R602 IonicContact OD1-CZ 3.44Å; D599-R602 IonicContact OD1-NE 3.59Å; D599-R602 IonicContact OD1-NH2 2.7Å; D599-R602 PolarHBondContact OD1-NH2 3.48Å; M600-R602 VanDerWaalsContact C-N 3.33Å; M600-R602 PolarHBondContact O-N 2.98Å; R602-A604 PolarHBondContact O-N 3.49Å
603Q84.5Confident86.8Confident118 Ų118110.5 Ų110.555%0.55155%0.546SS*.THydrogen-bonded Turntrans-80.75.7171.6-66.7-179.87.400113.1D599 M600 N601 R605D599-Q603 WeakPolarHBondContact O-CG 3.46Å; D599-Q603 PolarHBondContact O-N 2.89Å; M600-Q603 CarbonylContact O-C 3.58Å; M600-Q603 PolarHBondContact O-N 3.2Å; N601-Q603 VanDerWaalsContact C-N 3.31Å; N601-Q603 PolarHBondContact O-N 3.03Å; Q603-R605 HydrophobicContact CB-CG 4.11Å; Q603-R605 PolarHBondContact O-N 2.94Å; Q603-R605 VanDerWaalsContact OE1-CZ 3.28Å
604A87.9Confident86.9Confident84 Ų84113.3 Ų113.369%0.69456%0.556SS**THydrogen-bonded Turntrans53.132-177.700000114.5M600 N601 R602M600-A604 PolarHBondContact O-N 3.17Å; N601-A604 WeakPolarHBondContact O-CA 3.12Å; N601-A604 PolarHBondContact O-N 3.16Å; R602-A604 PolarHBondContact O-N 3.49Å
605R85.9Confident86.9Confident95 Ų95112 Ų11236%0.35856%0.556SS.*  trans-68.6142.6175.4-65.1-178-177.6-140.25.5110.1M600 Q603 G607 D610M600-R605 HydrophobicContact CB-CB 4.35Å; M600-R605 PolarHBondContact O-N 2.81Å; Q603-R605 HydrophobicContact CB-CG 4.11Å; Q603-R605 PolarHBondContact O-N 2.94Å; Q603-R605 VanDerWaalsContact OE1-CZ 3.28Å; R605-G607 PolarHBondContact O-N 2.87Å; R605-D610 HydrophobicContact CB-CB 4.28Å; R605-D610 WeakPolarHBondContact CD-O 3.41Å; R605-D610 PolarHBondContact NH1-O 3.37Å
606K87.1Confident86.9Confident202 Ų202115.8 Ų115.888%0.87858%0.575SS**SBendtrans-749.9-179.5-64179.2-179.3177.20114.3D610K606-D610 HydrophobicContact CB-CB 4.18Å; K606-D610 PolarHBondContact N-OD2 3.49Å
607G87.2Confident87Confident30 Ų30119.4 Ų119.431%0.30958%0.581SS.*SBendtrans142.6-179.2-179.100000111.2R605 S609 D610R605-G607 PolarHBondContact O-N 2.87Å; G607-S609 PolarHBondContact O-N 2.7Å; G607-D610 PolarHBondContact O-N 3.48Å
608E86.5Confident87.1Confident141 Ų141117.7 Ų117.766%0.65958%0.575SS**THydrogen-bonded Turntrans-66.2-24.6177.866.5-177.2-174.400113.5M600 D610M600-E608 HydrophobicContact CE-CB 3.99Å; M600-E608 VanDerWaalsContact SD-CA 3.59Å; M600-E608 HydrophobicContact SD-CB 3.91Å; E608-D610 VanDerWaalsContact C-N 3.29Å
609S84.6Confident87.1Confident100 Ų100117.4 Ų117.470%0.69958%0.578SS**THydrogen-bonded Turntrans-76.3-17.6177.2-480000112.9G607 R611G607-S609 PolarHBondContact O-N 2.7Å; S609-R611 PolarHBondContact O-N 3.48Å; S609-R611 VanDerWaalsContact O-N 3.08Å
610D84.8Confident87Confident47 Ų47120.2 Ų120.225%0.25159%0.588SS.*  trans-81.590.9179.7-17210.6000110.6R605 K606 G607 E608R605-D610 HydrophobicContact CB-CB 4.28Å; R605-D610 WeakPolarHBondContact CD-O 3.41Å; R605-D610 PolarHBondContact NH1-O 3.37Å; K606-D610 HydrophobicContact CB-CB 4.18Å; K606-D610 PolarHBondContact N-OD2 3.49Å; G607-D610 PolarHBondContact O-N 3.48Å; E608-D610 VanDerWaalsContact C-N 3.29Å
611R86.7Confident87Confident193 Ų193122.9 Ų122.973%0.72860%0.603SS**  trans-115.824.6179.4-64177.4-77179.8-3.8111.3S609 V613S609-R611 PolarHBondContact O-N 3.48Å; S609-R611 VanDerWaalsContact O-N 3.08Å; R611-V613 PolarHBondContact O-N 3.32Å
612H85.3Confident87Confident123 Ų123123.8 Ų123.857%0.56961%0.607SS**  trans-66.2120.8-178.8-175.4-100000110.7F614H612-F614 AromaticContact CE1-CD1 3.58Å; H612-F614 AromaticContact CE1-CE1 3.69Å; H612-F614 AromaticContact ND1-CD1 3.53Å; H612-F614 AromaticContact ND1-CE1 3.43Å; H612-F614 WeakPolarHBondContact ND1-CE1 3.5Å; H612-F614 AromaticContact ND1-CE2 3.99Å; H612-F614 AromaticContact ND1-CG 3.87Å; H612-F614 AromaticContact ND1-CZ 3.67Å
613V87.3Confident86.8Confident131 Ų131117.4 Ų117.479%0.79459%0.592SS**  trans-92.1111.3174.2-1780000107.6R611R611-V613 PolarHBondContact O-N 3.32Å
614F88.3Confident86.8Confident147 Ų147115.3 Ų115.365%0.64560%0.602SS**  trans-69.4134.2175.4-67.2-78.4000110.6H612 L616H612-F614 AromaticContact CE1-CD1 3.58Å; H612-F614 AromaticContact CE1-CE1 3.69Å; H612-F614 AromaticContact ND1-CD1 3.53Å; H612-F614 AromaticContact ND1-CE1 3.43Å; H612-F614 WeakPolarHBondContact ND1-CE1 3.5Å; H612-F614 AromaticContact ND1-CE2 3.99Å; H612-F614 AromaticContact ND1-CG 3.87Å; H612-F614 AromaticContact ND1-CZ 3.67Å; F614-L616 VanDerWaalsContact C-N 3.33Å; F614-L616 HydrophobicContact CB-CD2 4.32Å; F614-L616 PolarHBondContact O-N 3.15Å
615D88.2Confident86.5Confident115 Ų115120.6 Ų120.662%0.61561%0.609SS**  trans-75.789168.3-174.55.8000109.3K617 P618D615-K617 PolarHBondContact O-N 2.9Å; D615-K617 PolarHBondContact OD1-N 3.47Å; D615-K617 VanDerWaalsContact OD1-N 3.15Å; D615-P618 VanDerWaalsContact OD2-CA 3.29Å; D615-P618 WeakPolarHBondContact OD2-CA 3.46Å
616L88.5Confident86.1Confident156 Ų156125.4 Ų125.482%0.81763%0.628SS**SBendtrans-69.1-16.5179.4-63.7174.8000112.6F614 P618F614-L616 VanDerWaalsContact C-N 3.33Å; F614-L616 HydrophobicContact CB-CD2 4.32Å; F614-L616 PolarHBondContact O-N 3.15Å; L616-P618 VanDerWaalsContact C-CD 3.48Å
617K87.9Confident86Confident159 Ų159124.1 Ų124.169%0.69162%0.622SS**SBendtrans-131.762.9-173.5-77.3-167.4178.9179.50110.2D615 K619 L622D615-K617 PolarHBondContact O-N 2.9Å; D615-K617 PolarHBondContact OD1-N 3.47Å; D615-K617 VanDerWaalsContact OD1-N 3.15Å; K617-K619 PolarHBondContact O-N 3.27Å; K617-L622 VanDerWaalsContact CA-CD1 3.49Å; K617-L622 HydrophobicContact CB-CD1 3.37Å; K617-L622 HydrophobicContact CD-CD1 4.07Å; K617-L622 HydrophobicContact CG-CD1 3.63Å
618P89.5Confident85.6Confident28 Ų28129.4 Ų129.418%0.18265%0.654CS.*  trans-63.6126.1-173.327.3-34.8000110.9D615 L616 H620 L621 L622D615-P618 VanDerWaalsContact OD2-CA 3.29Å; D615-P618 WeakPolarHBondContact OD2-CA 3.46Å; L616-P618 VanDerWaalsContact C-CD 3.48Å; P618-H620 PolarHBondContact O-N 3.08Å; P618-H620 VanDerWaalsContact O-N 3.11Å; P618-L621 HydrophobicContact CG-CB 4.33Å; P618-L621 HydrophobicContact CG-CD1 3.68Å; P618-L621 HydrophobicContact CG-CG 3.99Å; P618-L621 PolarHBondContact O-N 3Å; P618-L622 PolarHBondContact O-N 2.94Å
619K88.4Confident85.4Confident163 Ų163125.4 Ų125.471%0.70965%0.651SS**Hα-helixtrans-55.3-34.9-171-176.6175.2178.6-176.20113K617 L621 L622 S623K617-K619 PolarHBondContact O-N 3.27Å; K619-L621 PolarHBondContact O-N 3.34Å; K619-L622 PolarHBondContact O-N 3.42Å; K619-S623 VanDerWaalsContact CG-OG 3.22Å; K619-S623 WeakPolarHBondContact CG-OG 3.46Å; K619-S623 VanDerWaalsContact O-CB 3.3Å; K619-S623 WeakPolarHBondContact O-CB 3.25Å; K619-S623 PolarHBondContact O-N 3.42Å; K619-S623 PolarHBondContact O-OG 3.24Å
620H86.6Confident84.9Confident151 Ų151127.1 Ų127.170%0.69966%0.657SS**Hα-helixtrans-69-17.9179.869-92000114P618P618-H620 PolarHBondContact O-N 3.08Å; P618-H620 VanDerWaalsContact O-N 3.11Å
621L84.5Confident84.9Confident101 Ų101130.9 Ų130.953%0.52967%0.671SS.*Hα-helixtrans-91.8-33.2173.1-63.3-175.7000112.5P618 K619P618-L621 HydrophobicContact CG-CB 4.33Å; P618-L621 HydrophobicContact CG-CD1 3.68Å; P618-L621 HydrophobicContact CG-CG 3.99Å; P618-L621 PolarHBondContact O-N 3Å; K619-L621 PolarHBondContact O-N 3.34Å
622L87.9Confident84.7Confident120 Ų120129.7 Ų129.763%0.62868%0.679SS**Hα-helixtrans-102.6-7.8-170.4-62.7176.4000113.9K617 P618 K619K617-L622 VanDerWaalsContact CA-CD1 3.49Å; K617-L622 HydrophobicContact CB-CD1 3.37Å; K617-L622 HydrophobicContact CD-CD1 4.07Å; K617-L622 HydrophobicContact CG-CD1 3.63Å; P618-L622 PolarHBondContact O-N 2.94Å; K619-L622 PolarHBondContact O-N 3.42Å
623S84.3Confident84.5Confident61 Ų61133.1 Ų133.143%0.42769%0.687SS.*SBendtrans-125.1150.8177.4760000111.5K619K619-S623 VanDerWaalsContact CG-OG 3.22Å; K619-S623 WeakPolarHBondContact CG-OG 3.46Å; K619-S623 VanDerWaalsContact O-CB 3.3Å; K619-S623 WeakPolarHBondContact O-CB 3.25Å; K619-S623 PolarHBondContact O-N 3.42Å; K619-S623 PolarHBondContact O-OG 3.24Å
624G84.4Confident83.9Confident74 Ų74141.8 Ų141.876%0.76371%0.706SS**  trans93161.3-171.600000113
625K81.8Confident83.7Confident195 Ų195141.5 Ų141.585%0.84871%0.709SS**  trans-131.2141.7170.4-66.8-175.2-178.1-179.70107.9K627K625-K627 PolarHBondContact O-N 2.77Å; K625-K627 VanDerWaalsContact O-N 3.17Å
626R78.9Confident83.4Confident196 Ų196142.9 Ų142.974%0.7471%0.714SS**  trans-62.5118.2177.8-165.918084.8-179.73.6109.8K631R626-K631 HydrophobicContact CG-CG 4.23Å
627K84.3Confident83.2Confident176 Ų176142.2 Ų142.277%0.76571%0.708SS**  trans-86.8164.1174.1-66.4-174.6179.4-179.50110.7K625 G629K625-K627 PolarHBondContact O-N 2.77Å; K625-K627 VanDerWaalsContact O-N 3.17Å; K627-G629 PolarHBondContact O-N 3.35Å
628S78.8Confident82.9Confident140 Ų140141.2 Ų141.298%0.97971%0.709SS**SBendtrans-76.176.9171.2-174.40000109.3
629G81.9Confident82.5Confident57 Ų57148.3 Ų148.359%0.58874%0.742SS**SBendtrans-178-145.5-176.200000110.8K627K627-G629 PolarHBondContact O-N 3.35Å
630T75.4Confident82.1Confident136 Ų136147.3 Ų147.383%0.83474%0.744SS**  trans-63.3146.1175.542.20000111.8
631K84.1Confident81.8Confident127 Ų127147 Ų14755%0.55275%0.747SS**  trans-108141.7179.6-60.6179.3-172.2168.30109.4R626 R633R626-K631 HydrophobicContact CG-CG 4.23Å; K631-R633 PolarHBondContact O-N 2.97Å
632D82.4Confident81.5Confident167 Ų167150.5 Ų150.589%0.89376%0.764SS**SBendtrans-76.5-4.6-177.9-54.4-42.3000113.7
633R80.6Confident81Confident195 Ų195153.1 Ų153.174%0.73678%0.775SS**  trans-140142.617460.9-175-178.8-179.10.8109.5K631K631-R633 PolarHBondContact O-N 2.97Å
634R75.4Confident80.7Confident313 Ų313161.5 Ų161.5100%1.18181%0.807SS**  trans-66.60-178-169.6172.9179.7176.5-0.8111.9

Retrieved 634 of 634 residues in 232.4 ms (Link to these results)

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