A0A3Q0KLH5_SCHMA Loading...

dynamin GTPase

AlphaFold DB , UniProt , Accession A0A3Q0KLH5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 948 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
1M27.3Very low52.4Low227 Ų22788.7 Ų88.7100%1.11843%0.434SS*.  096.40-73.5173.8165.400106.6
2Y37.2Very low53Low175 Ų17588 Ų8869%0.68644%0.441SS*.  trans-13229.7-163.7-63.8-67.2000113.5L132Y2-L132 WeakPolarHBondContact O-CD2 3.38Å
3G43.8Very low53.7Low43 Ų4382.2 Ų82.244%0.44341%0.413SS..  trans-100.312317400000111.3E5G3-E5 PolarHBondContact O-N 3.12Å
4N54.4Low54.2Low48 Ų4876.6 Ų76.626%0.25738%0.384SS..  trans-84.683170.1-83.7-23.8000109.3G6 M7 E8 N284 T288N4-G6 PolarHBondContact O-N 2.88Å; N4-G6 VanDerWaalsContact O-N 3.09Å; N4-M7 HydrophobicContact CB-CB 3.9Å; N4-M7 HydrophobicContact CB-CG 3.65Å; N4-M7 WeakPolarHBondContact O-CB 3.4Å; N4-M7 PolarHBondContact O-N 2.75Å; N4-E8 PolarHBondContact O-N 3.04Å; N4-N284 PolarHBondContact ND2-ND2 3.38Å; N4-N284 PolarHBondContact ND2-OD1 3.07Å; N4-T288 PolarHBondContact ND2-OG1 3.38Å
5E56.6Low54.5Low141 Ų14175.5 Ų75.566%0.65938%0.38SS*.Hα-helixtrans-56-29.9-178-63.3-172.3167.500113.3G3 M7 E8G3-E5 PolarHBondContact O-N 3.12Å; E5-M7 VanDerWaalsContact C-N 3.34Å; E5-M7 PolarHBondContact O-N 3.06Å; E5-E8 PolarHBondContact O-N 3.02Å
6G57.2Low54.9Low21 Ų2176.2 Ų76.222%0.21638%0.38CS..Hα-helixtrans-66.2-31.2173.900000114.1N4 L10N4-G6 PolarHBondContact O-N 2.88Å; N4-G6 VanDerWaalsContact O-N 3.09Å; G6-L10 PolarHBondContact O-N 2.86Å
7M57.3Low55.1Low18 Ų1871.9 Ų71.99%0.08936%0.359CS..Hα-helixtrans-71.7-39.7176.9-74-74-7600111.9N4 E5 R9 L10 I11 L287 I291N4-M7 HydrophobicContact CB-CB 3.9Å; N4-M7 HydrophobicContact CB-CG 3.65Å; N4-M7 WeakPolarHBondContact O-CB 3.4Å; N4-M7 PolarHBondContact O-N 2.75Å; E5-M7 VanDerWaalsContact C-N 3.34Å; E5-M7 PolarHBondContact O-N 3.06Å; M7-R9 PolarHBondContact O-N 3.11Å; M7-L10 PolarHBondContact O-N 3.39Å; M7-I11 PolarHBondContact O-N 2.89Å; M7-L287 HydrophobicContact CE-CD2 3.74Å; M7-L287 HydrophobicContact CE-CG 4.27Å; M7-I291 HydrophobicContact CE-CD1 3.4Å; M7-I291 VanDerWaalsContact CE-CD1 3.4Å; M7-I291 HydrophobicContact SD-CD1 3.24Å; M7-I291 WeakPolarHBondContact SD-CD1 3.3Å
8E59.1Low55.4Low83 Ų8372.1 Ų72.139%0.38836%0.358SS..Hα-helixtrans-61.4-30.6-179.2-67.9174.3-178.200112N4 E5 P12 N133N4-E8 PolarHBondContact O-N 3.04Å; E5-E8 PolarHBondContact O-N 3.02Å; E8-P12 WeakPolarHBondContact O-CD 3.3Å; E8-N133 WeakPolarHBondContact CG-ND2 3.38Å; E8-N133 PolarHBondContact OE1-ND2 3.2Å
9R62Low55.4Low155 Ų15574.4 Ų74.459%0.58537%0.372SS*.Hα-helixtrans-81.7-26.3174.7-61-174.9-172.6-171.14.3113.9M7M7-R9 PolarHBondContact O-N 3.11Å
10L61.7Low55.5Low5 Ų571.3 Ų71.33%0.02636%0.359CS..Hα-helixtrans-75.8-38.7-174.8-169.967.5000112.2G6 M7 L13 V14 L32 I291 L295G6-L10 PolarHBondContact O-N 2.86Å; M7-L10 PolarHBondContact O-N 3.39Å; L10-L13 HydrophobicContact CD1-CD2 4.49Å; L10-L13 WeakPolarHBondContact O-CB 3.45Å; L10-L13 PolarHBondContact O-N 2.91Å; L10-V14 HydrophobicContact CG-CG2 4.42Å; L10-V14 WeakPolarHBondContact O-CG2 3.32Å; L10-V14 PolarHBondContact O-N 3.34Å; L10-L32 HydrophobicContact CD2-CD2 4.31Å; L10-I291 HydrophobicContact CD2-CG2 3.64Å; L10-L295 HydrophobicContact CD1-CD2 4.07Å; L10-L295 HydrophobicContact CD2-CD2 4.46Å
11I59.4Low55.6Low60 Ų6068.2 Ų68.231%0.30834%0.343SS..Hα-helixtrans-63-49.5-175.3-63.2168.6000112.6M7 L13 V14 N15M7-I11 PolarHBondContact O-N 2.89Å; I11-L13 VanDerWaalsContact C-N 3.26Å; I11-L13 PolarHBondContact O-N 3.46Å; I11-V14 PolarHBondContact O-N 2.89Å; I11-N15 PolarHBondContact O-N 3.47Å; I11-N15 PolarHBondContact O-ND2 2.73Å
12P60.2Low57Low80 Ų8060.8 Ų60.852%0.51932%0.317SS..Hα-helixtrans-62.8-33.6177.8-22.334.4000113.1E8 K16E8-P12 WeakPolarHBondContact O-CD 3.3Å; P12-K16 PolarHBondContact O-N 3.14Å; P12-K16 VanDerWaalsContact O-N 3.1Å
13L61.3Low57.8Low13 Ų1355.7 Ų55.77%0.06831%0.307CS..Hα-helixtrans-66.7-43.7178.8-173.383.2000112.1L10 I11 N15 K16 L17 A731 V734L10-L13 HydrophobicContact CD1-CD2 4.49Å; L10-L13 WeakPolarHBondContact O-CB 3.45Å; L10-L13 PolarHBondContact O-N 2.91Å; I11-L13 VanDerWaalsContact C-N 3.26Å; I11-L13 PolarHBondContact O-N 3.46Å; L13-N15 VanDerWaalsContact C-N 3.33Å; L13-N15 PolarHBondContact O-N 3.42Å; L13-K16 PolarHBondContact O-N 2.77Å; L13-L17 HydrophobicContact CG-CD1 4.47Å; L13-L17 PolarHBondContact O-N 3.35Å; L13-A731 HydrophobicContact CD1-CB 4.43Å; L13-A731 HydrophobicContact CD2-CB 4.31Å; L13-A731 HydrophobicContact CG-CB 4.46Å; L13-V734 HydrophobicContact CD1-CB 4.07Å; L13-V734 HydrophobicContact CD1-CG1 4.49Å; L13-V734 HydrophobicContact CD1-CG2 3.99Å; L13-V734 HydrophobicContact CD2-CB 3.68Å; L13-V734 HydrophobicContact CD2-CG1 3.75Å; L13-V734 HydrophobicContact CG-CB 4.43Å
14V61Low58.2Low3 Ų355.3 Ų55.32%0.01830%0.295CS..Hα-helixtrans-64.2-40.1178.6170.70000111L10 I11 K16 L17 Q18 L30 L32L10-V14 HydrophobicContact CG-CG2 4.42Å; L10-V14 WeakPolarHBondContact O-CG2 3.32Å; L10-V14 PolarHBondContact O-N 3.34Å; I11-V14 PolarHBondContact O-N 2.89Å; V14-K16 PolarHBondContact O-N 2.97Å; V14-L17 WeakPolarHBondContact O-CB 3.3Å; V14-L17 PolarHBondContact O-N 3.1Å; V14-Q18 HydrophobicContact CG1-CG 4.4Å; V14-Q18 WeakPolarHBondContact O-CG 3.45Å; V14-Q18 PolarHBondContact O-N 3.44Å; V14-L30 HydrophobicContact CB-CD1 4.33Å; V14-L30 HydrophobicContact CG1-CB 4.25Å; V14-L30 HydrophobicContact CG1-CD1 3.8Å; V14-L30 HydrophobicContact CG1-CD2 4.49Å; V14-L30 HydrophobicContact CG1-CG 4.43Å; V14-L30 HydrophobicContact CG2-CD1 4.21Å; V14-L30 HydrophobicContact CG2-CD2 4.47Å; V14-L32 HydrophobicContact CB-CD1 3.92Å; V14-L32 HydrophobicContact CB-CG 4.21Å; V14-L32 HydrophobicContact CG1-CD1 3.63Å; V14-L32 HydrophobicContact CG1-CG 3.77Å; V14-L32 HydrophobicContact CG2-CD1 4.24Å; V14-L32 HydrophobicContact CG2-CD2 3.91Å; V14-L32 HydrophobicContact CG2-CG 4.08Å
15N59Low58.1Low60 Ų6060.2 Ų60.232%0.32132%0.321SS..Hα-helixtrans-59.4-48.2173.4-62.2-23.2000111.1I11 L13 L17 Q18 D19I11-N15 PolarHBondContact O-N 3.47Å; I11-N15 PolarHBondContact O-ND2 2.73Å; L13-N15 VanDerWaalsContact C-N 3.33Å; L13-N15 PolarHBondContact O-N 3.42Å; N15-L17 VanDerWaalsContact C-N 3.29Å; N15-L17 PolarHBondContact O-N 2.92Å; N15-Q18 PolarHBondContact O-N 2.68Å; N15-Q18 VanDerWaalsContact O-N 3.14Å; N15-D19 PolarHBondContact O-N 3.08Å
16K60.3Low58.1Low87 Ų8756.8 Ų56.838%0.37831%0.307SS..Hα-helixtrans-60.6-35.2177.2-177.9172.6173.9177.90113.3P12 L13 V14 A20 E730P12-K16 PolarHBondContact O-N 3.14Å; P12-K16 VanDerWaalsContact O-N 3.1Å; L13-K16 PolarHBondContact O-N 2.77Å; V14-K16 PolarHBondContact O-N 2.97Å; K16-A20 WeakPolarHBondContact O-CB 3.41Å; K16-A20 PolarHBondContact O-N 2.93Å; K16-E730 IonicContact NZ-OE1 3.55Å; K16-E730 PolarHBondContact NZ-OE1 3.25Å; K16-E730 IonicContact NZ-OE2 2.76Å; K16-E730 PolarHBondContact NZ-OE2 3.35Å
17L59.5Low57.7Low3 Ų360.5 Ų60.52%0.01633%0.327CS..Hα-helixtrans-68.5-44.2173-82.3171.2000112.5L13 V14 N15 D19 A20 F21 L28 L30 L302 A731L13-L17 HydrophobicContact CG-CD1 4.47Å; L13-L17 PolarHBondContact O-N 3.35Å; V14-L17 WeakPolarHBondContact O-CB 3.3Å; V14-L17 PolarHBondContact O-N 3.1Å; N15-L17 VanDerWaalsContact C-N 3.29Å; N15-L17 PolarHBondContact O-N 2.92Å; L17-D19 VanDerWaalsContact C-N 3.35Å; L17-A20 PolarHBondContact O-N 2.63Å; L17-F21 HydrophobicContact CD2-CE2 4.29Å; L17-F21 WeakPolarHBondContact O-CD2 3.15Å; L17-F21 PolarHBondContact O-N 3.26Å; L17-L28 HydrophobicContact CB-CD2 3.86Å; L17-L30 HydrophobicContact CB-CD1 3.75Å; L17-L30 HydrophobicContact CD1-CD1 3.65Å; L17-L30 HydrophobicContact CG-CD1 4.37Å; L17-L302 HydrophobicContact CD1-CD1 4.33Å; L17-L302 HydrophobicContact CD2-CD2 4.48Å; L17-A731 HydrophobicContact CD1-CB 3.6Å; L17-A731 HydrophobicContact CD2-CB 3.59Å; L17-A731 HydrophobicContact CG-CB 3.84Å
18Q60Low57.6Low76 Ų7660.5 Ų60.536%0.35533%0.327SS..Hα-helixtrans-60.9-45.3175.9-73.4174.8-10.800110.7V14 N15 A20 F21 A22 L30V14-Q18 HydrophobicContact CG1-CG 4.4Å; V14-Q18 WeakPolarHBondContact O-CG 3.45Å; V14-Q18 PolarHBondContact O-N 3.44Å; N15-Q18 PolarHBondContact O-N 2.68Å; N15-Q18 VanDerWaalsContact O-N 3.14Å; Q18-A20 PolarHBondContact O-N 2.84Å; Q18-F21 PolarHBondContact O-N 3.35Å; Q18-A22 VanDerWaalsContact O-CB 3.23Å; Q18-A22 WeakPolarHBondContact O-CB 3.37Å; Q18-A22 PolarHBondContact O-N 2.94Å; Q18-L30 HydrophobicContact CG-CB 4.38Å
19D56.2Low57.3Low116 Ų11662.2 Ų62.262%0.6234%0.339SS*.Hα-helixtrans-59.9-45.7175.7-69.4-26.6000112N15 L17 S23N15-D19 PolarHBondContact O-N 3.08Å; L17-D19 VanDerWaalsContact C-N 3.35Å; D19-S23 PolarHBondContact O-N 3.06Å
20A56.3Low57Low12 Ų1255.6 Ų55.610%0.09932%0.316CS..Hα-helixtrans-61.3-46.217800000111.9K16 L17 Q18 S23 M724K16-A20 WeakPolarHBondContact O-CB 3.41Å; K16-A20 PolarHBondContact O-N 2.93Å; L17-A20 PolarHBondContact O-N 2.63Å; Q18-A20 PolarHBondContact O-N 2.84Å; A20-S23 PolarHBondContact O-N 3.07Å; A20-S23 PolarHBondContact O-OG 2.81Å; A20-M724 VanDerWaalsContact C-CE 3.42Å; A20-M724 HydrophobicContact CB-CE 4.16Å; A20-M724 WeakPolarHBondContact O-CE 3.45Å
21F57.8Low56.8Low7 Ų758 Ų583%0.03133%0.328CS..Hα-helixtrans-72.6-36.9-178.9-86.7-104.2000113L17 Q18 S23 L24 N25 L26 L28 L302 M724 I728L17-F21 HydrophobicContact CD2-CE2 4.29Å; L17-F21 WeakPolarHBondContact O-CD2 3.15Å; L17-F21 PolarHBondContact O-N 3.26Å; Q18-F21 PolarHBondContact O-N 3.35Å; F21-S23 VanDerWaalsContact C-N 3.26Å; F21-S23 PolarHBondContact O-N 3.35Å; F21-L24 PolarHBondContact O-N 3.29Å; F21-N25 PolarHBondContact O-N 3.03Å; F21-L26 CarbonylContact C-O 3.58Å; F21-L26 HydrophobicContact CD1-CB 3.64Å; F21-L26 HydrophobicContact CD1-CD1 4.41Å; F21-L26 HydrophobicContact CE1-CB 4.33Å; F21-L26 HydrophobicContact CE1-CD1 4.5Å; F21-L26 HydrophobicContact CG-CB 4.49Å; F21-L26 PolarHBondContact O-N 3.38Å; F21-L28 HydrophobicContact CB-CB 3.5Å; F21-L28 VanDerWaalsContact CB-CB 3.5Å; F21-L28 HydrophobicContact CB-CD2 4.22Å; F21-L28 HydrophobicContact CB-CG 4.46Å; F21-L28 HydrophobicContact CD1-CB 3.61Å; F21-L28 HydrophobicContact CD1-CD1 4.14Å; F21-L28 HydrophobicContact CD1-CD2 4.46Å; F21-L28 HydrophobicContact CD1-CG 4.28Å; F21-L28 HydrophobicContact CD2-CB 4.16Å; F21-L28 HydrophobicContact CD2-CD1 4.42Å; F21-L28 HydrophobicContact CD2-CD2 3.59Å; F21-L28 HydrophobicContact CD2-CG 4.27Å; F21-L28 HydrophobicContact CE1-CB 4.32Å; F21-L28 HydrophobicContact CE1-CD1 3.97Å; F21-L28 HydrophobicContact CE2-CD1 4.23Å; F21-L28 HydrophobicContact CE2-CD2 3.95Å; F21-L28 HydrophobicContact CG-CB 3.5Å; F21-L28 VanDerWaalsContact CG-CB 3.5Å; F21-L28 HydrophobicContact CG-CD1 4.34Å; F21-L28 HydrophobicContact CG-CD2 3.85Å; F21-L28 HydrophobicContact CG-CG 4.1Å; F21-L28 HydrophobicContact CZ-CD1 4.01Å; F21-L302 HydrophobicContact CE2-CD2 4.27Å; F21-L302 HydrophobicContact CZ-CD2 4.19Å; F21-M724 HydrophobicContact CB-CE 4.25Å; F21-M724 HydrophobicContact CD1-CE 4.19Å; F21-M724 HydrophobicContact CD2-CE 3.6Å; F21-M724 HydrophobicContact CD2-SD 3.66Å; F21-M724 HydrophobicContact CE1-SD 4.41Å; F21-M724 HydrophobicContact CE2-CE 4.01Å; F21-M724 HydrophobicContact CE2-SD 3.44Å; F21-M724 WeakPolarHBondContact CE2-SD 3.41Å; F21-M724 HydrophobicContact CG-CE 3.73Å; F21-M724 HydrophobicContact CG-SD 4.28Å; F21-M724 HydrophobicContact CZ-CE 4.45Å; F21-M724 HydrophobicContact CZ-SD 3.85Å; F21-I728 HydrophobicContact CE2-CD1 4.1Å; F21-I728 HydrophobicContact CE2-CG1 3.91Å; F21-I728 HydrophobicContact CZ-CD1 3.88Å; F21-I728 HydrophobicContact CZ-CG1 4.15Å
22A56.8Low56.8Low70 Ų7057 Ų5758%0.57932%0.323SS*.Hα-helixtrans-58.2-38.8170.200000111.9Q18 L24 N25Q18-A22 VanDerWaalsContact O-CB 3.23Å; Q18-A22 WeakPolarHBondContact O-CB 3.37Å; Q18-A22 PolarHBondContact O-N 2.94Å; A22-L24 PolarHBondContact O-N 2.84Å; A22-N25 PolarHBondContact O-N 3.26Å; A22-N25 VanDerWaalsContact O-N 3.16Å
23S53Low57Low68 Ų6853.6 Ų53.648%0.47630%0.302SS..Hα-helixtrans-63.3-24179.178.80000114.6D19 A20 F21D19-S23 PolarHBondContact O-N 3.06Å; A20-S23 PolarHBondContact O-N 3.07Å; A20-S23 PolarHBondContact O-OG 2.81Å; F21-S23 VanDerWaalsContact C-N 3.26Å; F21-S23 PolarHBondContact O-N 3.35Å
24L52.8Low57.7Low35 Ų3555 Ų5518%0.18331%0.307CS..THydrogen-bonded Turntrans-101.35.4177.6-58.8-157.4000114.1F21 A22 L26 E720 M724F21-L24 PolarHBondContact O-N 3.29Å; A22-L24 PolarHBondContact O-N 2.84Å; L24-L26 HydrophobicContact CB-CB 4.45Å; L24-L26 HydrophobicContact CB-CD1 3.96Å; L24-L26 HydrophobicContact CB-CG 3.9Å; L24-L26 HydrophobicContact CD1-CD1 4.03Å; L24-L26 PolarHBondContact O-N 2.79Å; L24-E720 HydrophobicContact CD2-CB 3.44Å; L24-E720 VanDerWaalsContact CD2-CB 3.44Å; L24-E720 HydrophobicContact CD2-CG 3.61Å; L24-M724 HydrophobicContact CB-CE 4.36Å; L24-M724 HydrophobicContact CD1-CB 3.63Å; L24-M724 HydrophobicContact CD1-CE 3.71Å; L24-M724 HydrophobicContact CD1-CG 3.83Å; L24-M724 HydrophobicContact CG-CB 4.49Å; L24-M724 HydrophobicContact CG-CE 3.78Å
25N52.9Low59Low151 Ų15154.8 Ų54.881%0.80731%0.307SS*.THydrogen-bonded Turntrans54.325.9-167-57.4-60.8000114F21 A22F21-N25 PolarHBondContact O-N 3.03Å; A22-N25 PolarHBondContact O-N 3.26Å; A22-N25 VanDerWaalsContact O-N 3.16Å
26L55.4Low60.6Low69 Ų6952 Ų5236%0.36129%0.291SS..  trans-90.4125.7177.4-70175.5000109.7F21 L24 L28 M724F21-L26 CarbonylContact C-O 3.58Å; F21-L26 HydrophobicContact CD1-CB 3.64Å; F21-L26 HydrophobicContact CD1-CD1 4.41Å; F21-L26 HydrophobicContact CE1-CB 4.33Å; F21-L26 HydrophobicContact CE1-CD1 4.5Å; F21-L26 HydrophobicContact CG-CB 4.49Å; F21-L26 PolarHBondContact O-N 3.38Å; L24-L26 HydrophobicContact CB-CB 4.45Å; L24-L26 HydrophobicContact CB-CD1 3.96Å; L24-L26 HydrophobicContact CB-CG 3.9Å; L24-L26 HydrophobicContact CD1-CD1 4.03Å; L24-L26 PolarHBondContact O-N 2.79Å; L26-L28 PolarHBondContact O-N 3.12Å; L26-M724 HydrophobicContact CD1-CE 4.48Å
27P50.4Low62.2Low99 Ų9947.8 Ų47.864%0.64327%0.273SS*.  trans-74.299.7-177.228.6-34.2000111.5R301P27-R301 PolarHBondContact O-NH2 2.97Å
28L53.7Low63.9Low18 Ų1847.7 Ų47.79%0.09427%0.273CS..  trans-10081.4167.5-166.675000110.8L17 F21 L26 L30L17-L28 HydrophobicContact CB-CD2 3.86Å; F21-L28 HydrophobicContact CB-CB 3.5Å; F21-L28 VanDerWaalsContact CB-CB 3.5Å; F21-L28 HydrophobicContact CB-CD2 4.22Å; F21-L28 HydrophobicContact CB-CG 4.46Å; F21-L28 HydrophobicContact CD1-CB 3.61Å; F21-L28 HydrophobicContact CD1-CD1 4.14Å; F21-L28 HydrophobicContact CD1-CD2 4.46Å; F21-L28 HydrophobicContact CD1-CG 4.28Å; F21-L28 HydrophobicContact CD2-CB 4.16Å; F21-L28 HydrophobicContact CD2-CD1 4.42Å; F21-L28 HydrophobicContact CD2-CD2 3.59Å; F21-L28 HydrophobicContact CD2-CG 4.27Å; F21-L28 HydrophobicContact CE1-CB 4.32Å; F21-L28 HydrophobicContact CE1-CD1 3.97Å; F21-L28 HydrophobicContact CE2-CD1 4.23Å; F21-L28 HydrophobicContact CE2-CD2 3.95Å; F21-L28 HydrophobicContact CG-CB 3.5Å; F21-L28 VanDerWaalsContact CG-CB 3.5Å; F21-L28 HydrophobicContact CG-CD1 4.34Å; F21-L28 HydrophobicContact CG-CD2 3.85Å; F21-L28 HydrophobicContact CG-CG 4.1Å; F21-L28 HydrophobicContact CZ-CD1 4.01Å; L26-L28 PolarHBondContact O-N 3.12Å; L28-L30 HydrophobicContact CD2-CB 4.14Å; L28-L30 HydrophobicContact CD2-CD1 3.47Å; L28-L30 VanDerWaalsContact CD2-CD1 3.47Å; L28-L30 HydrophobicContact CD2-CG 3.82Å; L28-L30 HydrophobicContact CG-CB 4.03Å; L28-L30 HydrophobicContact CG-CD1 4.18Å; L28-L30 HydrophobicContact CG-CG 3.95Å; L28-L30 PolarHBondContact O-N 2.93Å
29N53.9Low65.4Low119 Ų11944.1 Ų44.164%0.63626%0.256SS*.  trans-67.484.2162.1-66.913.2000108.1D31N29-D31 PolarHBondContact O-N 3.45Å
30L56.5Low67.1Low17 Ų1740 Ų409%0.08924%0.236CC..  trans-92.676.2173.5-124.7-175.3000107V14 L17 Q18 L28 L32 L298V14-L30 HydrophobicContact CB-CD1 4.33Å; V14-L30 HydrophobicContact CG1-CB 4.25Å; V14-L30 HydrophobicContact CG1-CD1 3.8Å; V14-L30 HydrophobicContact CG1-CD2 4.49Å; V14-L30 HydrophobicContact CG1-CG 4.43Å; V14-L30 HydrophobicContact CG2-CD1 4.21Å; V14-L30 HydrophobicContact CG2-CD2 4.47Å; L17-L30 HydrophobicContact CB-CD1 3.75Å; L17-L30 HydrophobicContact CD1-CD1 3.65Å; L17-L30 HydrophobicContact CG-CD1 4.37Å; Q18-L30 HydrophobicContact CG-CB 4.38Å; L28-L30 HydrophobicContact CD2-CB 4.14Å; L28-L30 HydrophobicContact CD2-CD1 3.47Å; L28-L30 VanDerWaalsContact CD2-CD1 3.47Å; L28-L30 HydrophobicContact CD2-CG 3.82Å; L28-L30 HydrophobicContact CG-CB 4.03Å; L28-L30 HydrophobicContact CG-CD1 4.18Å; L28-L30 HydrophobicContact CG-CG 3.95Å; L28-L30 PolarHBondContact O-N 2.93Å; L30-L32 VanDerWaalsContact C-N 3.3Å; L30-L32 PolarHBondContact O-N 2.91Å; L30-L298 HydrophobicContact CD2-CD1 3.51Å; L30-L298 HydrophobicContact CD2-CD2 3.61Å; L30-L298 HydrophobicContact CD2-CG 4.16Å; L30-L298 HydrophobicContact CG-CD1 3.97Å
31D57.5Low68.6Low55 Ų5542.8 Ų42.829%0.29425%0.247SC..  trans-73.688178.7-66.4-64.9000110N29 R168 S170N29-D31 PolarHBondContact O-N 3.45Å; D31-R168 WeakPolarHBondContact OD1-CD 3.41Å; D31-R168 IonicContact OD1-CZ 3.51Å; D31-R168 IonicContact OD1-NE 2.76Å; D31-R168 IonicContact OD1-NH1 3.34Å; D31-R168 PolarHBondContact OD1-NH1 3.23Å; D31-S170 WeakPolarHBondContact CB-OG 3.46Å; D31-S170 WeakPolarHBondContact O-CB 3.46Å
32L58Low70Confident38 Ų3846.5 Ų46.520%0.19927%0.274CS..  trans-52.8135.1165-90.1173.5000109.6L10 V14 L30 Q34L10-L32 HydrophobicContact CD2-CD2 4.31Å; V14-L32 HydrophobicContact CB-CD1 3.92Å; V14-L32 HydrophobicContact CB-CG 4.21Å; V14-L32 HydrophobicContact CG1-CD1 3.63Å; V14-L32 HydrophobicContact CG1-CG 3.77Å; V14-L32 HydrophobicContact CG2-CD1 4.24Å; V14-L32 HydrophobicContact CG2-CD2 3.91Å; V14-L32 HydrophobicContact CG2-CG 4.08Å; L30-L32 VanDerWaalsContact C-N 3.3Å; L30-L32 PolarHBondContact O-N 2.91Å; L32-Q34 WeakPolarHBondContact O-CG 3.43Å; L32-Q34 PolarHBondContact O-N 3.3Å; L32-Q34 PolarHBondContact O-NE2 2.77Å
33P64.3Low71.5Confident10 Ų1043.1 Ų43.17%0.06525%0.246CC..  trans-54.5126.3172.4-35.642.9000113.2S170 L287 I291P33-S170 VanDerWaalsContact CA-O 3.28Å; P33-S170 WeakPolarHBondContact CA-O 3.42Å; P33-L287 HydrophobicContact CB-CD1 3.62Å; P33-I291 HydrophobicContact CB-CD1 4.26Å; P33-I291 HydrophobicContact CB-CG1 3.69Å; P33-I291 HydrophobicContact CG-CB 4.49Å; P33-I291 HydrophobicContact CG-CD1 4.42Å; P33-I291 HydrophobicContact CG-CG1 3.45Å; P33-I291 VanDerWaalsContact CG-CG1 3.45Å
34Q77.5Confident73.2Confident41 Ų4140.7 Ų40.719%0.19223%0.232CC..EExtended strand (participates in β ladder)trans-128.4152.2-175.2-74.6159.130.200108.6L32 T135 I137 L172L32-Q34 WeakPolarHBondContact O-CG 3.43Å; L32-Q34 PolarHBondContact O-N 3.3Å; L32-Q34 PolarHBondContact O-NE2 2.77Å; Q34-T135 HydrophobicContact CG-CG2 4.15Å; Q34-I137 HydrophobicContact CB-CD1 4.06Å; Q34-I137 HydrophobicContact CG-CD1 4.31Å; Q34-I137 VanDerWaalsContact OE1-CD1 3.3Å; Q34-L172 PolarHBondContact O-N 3.32Å
35I88.1Confident75Confident0 Ų039.6 Ų39.60%023%0.226CC..EExtended strand (participates in β ladder)trans-109.6109.3177.4-60.7169.3000108.6T135 L136 I137 L172 L174 L283 L287I35-T135 PolarHBondContact N-O 3.45Å; I35-T135 VanDerWaalsContact N-O 3.11Å; I35-L136 HydrophobicContact CB-CD2 4Å; I35-L136 HydrophobicContact CD1-CD2 4.24Å; I35-L136 HydrophobicContact CG2-CD2 3.92Å; I35-L136 CarbonylContact O-C 3.58Å; I35-L136 WeakPolarHBondContact O-CA 3.06Å; I35-I137 PolarHBondContact O-N 3.38Å; I35-L172 CarbonylContact C-O 3.56Å; I35-L172 WeakPolarHBondContact CA-O 3.42Å; I35-L172 HydrophobicContact CG1-CB 4.25Å; I35-L172 HydrophobicContact CG2-CD2 4.39Å; I35-L174 HydrophobicContact CG2-CB 4.04Å; I35-L174 HydrophobicContact CG2-CD2 4.5Å; I35-L283 HydrophobicContact CD1-CB 4.08Å; I35-L283 HydrophobicContact CD1-CD1 4.18Å; I35-L283 HydrophobicContact CG2-CD1 4.34Å; I35-L287 HydrophobicContact CG1-CD1 4.49Å
36A92.1Very high76.7Confident0 Ų033.6 Ų33.60%020%0.195CC..EExtended strand (participates in β ladder)trans-91.2124.4176.700000110.9L139 I166 C171 L172 L174A36-L139 HydrophobicContact CB-CD1 3.99Å; A36-I166 HydrophobicContact CB-CG2 4.03Å; A36-C171 WeakPolarHBondContact CB-SG 3.24Å; A36-L172 PolarHBondContact N-O 3.37Å; A36-L174 PolarHBondContact O-N 3.12Å
37V94.1Very high78.3Confident0 Ų031.1 Ų31.10%018%0.184CC..EExtended strand (participates in β ladder)trans-92.4108.4179.5-169.20000109.8K45 L49 I137 L174 V176V37-K45 HydrophobicContact CG1-CB 3.91Å; V37-K45 HydrophobicContact CG1-CD 3.92Å; V37-K45 HydrophobicContact CG1-CG 3.82Å; V37-L49 HydrophobicContact CG2-CD1 4.42Å; V37-L49 HydrophobicContact CG2-CD2 3.95Å; V37-L49 HydrophobicContact CG2-CG 4.37Å; V37-I137 PolarHBondContact N-O 2.99Å; V37-L174 HydrophobicContact CG1-CD2 4.4Å; V37-L174 HydrophobicContact CG2-CB 4.46Å; V37-L174 HydrophobicContact CG2-CD2 4.07Å; V37-V176 HydrophobicContact CG1-CG2 3.58Å
38V94.1Very high80.2Confident1 Ų126.6 Ų26.61%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-111.9138.6-176.6-176.30000109.4L139 I162 I166 I173 L174 V176 A188 L191V38-L139 HydrophobicContact CG2-CD1 4.2Å; V38-I162 HydrophobicContact CG1-CG2 4.17Å; V38-I162 HydrophobicContact CG2-CG2 3.77Å; V38-I166 HydrophobicContact CG2-CG2 3.92Å; V38-I173 HydrophobicContact CB-CG2 4.47Å; V38-I173 HydrophobicContact CG2-CG2 4.13Å; V38-L174 PolarHBondContact N-O 2.54Å; V38-V176 PolarHBondContact O-N 3.49Å; V38-A188 HydrophobicContact CG1-CB 4.21Å; V38-L191 HydrophobicContact CG1-CD2 4.32Å
39G92.8Very high81.9Confident0 Ų025.9 Ų25.90%015%0.15CC..  trans176.1148.2-171.700000111.7K45 G141 M142 V176G39-K45 PolarHBondContact O-NZ 3.48Å; G39-G141 WeakPolarHBondContact O-CA 3.21Å; G39-M142 PolarHBondContact O-N 3.06Å; G39-V176 WeakPolarHBondContact CA-O 3.45Å
40S91.1Very high83.5Confident30 Ų3020.2 Ų20.221%0.2112%0.12CC..BIsolated β-bridgetrans-59.7166172.555.80000112S42 A43 K45S40-S42 PolarHBondContact O-N 3.4Å; S40-A43 VanDerWaalsContact O-CB 3.28Å; S40-A43 WeakPolarHBondContact O-CB 2.97Å; S40-A43 PolarHBondContact O-N 2.75Å; S40-K45 PolarHBondContact O-NZ 3.15Å; S40-K45 VanDerWaalsContact O-NZ 3.17Å
41Q87.6Confident84.8Confident71 Ų7119.7 Ų19.733%0.33212%0.118SC..THydrogen-bonded Turntrans-54136.9170-167.4-165.9-16.300110.1A43 G63 M142 T143Q41-A43 PolarHBondContact O-N 3.09Å; Q41-A43 VanDerWaalsContact O-N 3.1Å; Q41-G63 PolarHBondContact NE2-O 3.13Å; Q41-M142 PolarHBondContact N-O 3.47Å; Q41-T143 HydrophobicContact CB-CG2 4.07Å; Q41-T143 HydrophobicContact CG-CG2 4.47Å
42S86.7Confident86Confident84 Ų8417.5 Ų17.559%0.58711%0.105SC*.THydrogen-bonded Turntrans60.515.1-179.4-53.10000116.3S40 G44 K208S40-S42 PolarHBondContact O-N 3.4Å; S42-G44 PolarHBondContact O-N 3.09Å; S42-K208 VanDerWaalsContact O-CE 3.24Å; S42-K208 WeakPolarHBondContact O-CE 3.46Å; S42-K208 PolarHBondContact O-NZ 2.89Å
43A89.8Confident87.2Confident0 Ų015.7 Ų15.70%010%0.096CC..SBendtrans-67.1-9.1171.400000114.3S40 Q41 V176 T207S40-A43 VanDerWaalsContact O-CB 3.28Å; S40-A43 WeakPolarHBondContact O-CB 2.97Å; S40-A43 PolarHBondContact O-N 2.75Å; Q41-A43 PolarHBondContact O-N 3.09Å; Q41-A43 VanDerWaalsContact O-N 3.1Å; A43-V176 HydrophobicContact CB-CG1 4.39Å; A43-V176 WeakPolarHBondContact O-CG1 3.42Å; A43-T207 WeakPolarHBondContact O-CG2 3.18Å; A43-T207 PolarHBondContact O-OG1 3.49Å
44G88.1Confident88Confident16 Ų1616.6 Ų16.617%0.16511%0.107CC..SBendtrans96.110.117800000115.9S42 S46 S47 V48S42-G44 PolarHBondContact O-N 3.09Å; G44-S46 PolarHBondContact O-N 3.18Å; G44-S47 PolarHBondContact O-N 3.37Å; G44-S47 VanDerWaalsContact O-N 3.11Å; G44-V48 PolarHBondContact O-N 2.72Å
45K90.9Very high88.3Confident13 Ų1320.1 Ų20.16%0.05712%0.118CC..Hα-helixtrans-44.7-56.7178.8-64.3-166.7-65.3-68.10113.6V37 G39 S40 S47 V48 L49 L139 V176V37-K45 HydrophobicContact CG1-CB 3.91Å; V37-K45 HydrophobicContact CG1-CD 3.92Å; V37-K45 HydrophobicContact CG1-CG 3.82Å; G39-K45 PolarHBondContact O-NZ 3.48Å; S40-K45 PolarHBondContact O-NZ 3.15Å; S40-K45 VanDerWaalsContact O-NZ 3.17Å; K45-S47 VanDerWaalsContact C-N 3.32Å; K45-S47 PolarHBondContact O-N 3.37Å; K45-V48 WeakPolarHBondContact O-CB 3.49Å; K45-V48 PolarHBondContact O-N 2.83Å; K45-V48 VanDerWaalsContact O-N 3.08Å; K45-L49 PolarHBondContact O-N 3.22Å; K45-L139 WeakPolarHBondContact CE-O 3.47Å; K45-V176 HydrophobicContact CG-CB 4.17Å; K45-V176 HydrophobicContact CG-CG1 4.44Å; K45-V176 HydrophobicContact CG-CG2 4.33Å
46S88.7Confident88.2Confident24 Ų2422 Ų2217%0.16813%0.128CC..Hα-helixtrans-60.6-40.9-178.3-40.50000111.8G44 V48 L49 E50G44-S46 PolarHBondContact O-N 3.18Å; S46-V48 VanDerWaalsContact C-N 3.34Å; S46-V48 PolarHBondContact O-N 2.99Å; S46-L49 PolarHBondContact O-N 3.09Å; S46-L49 VanDerWaalsContact O-N 3.16Å; S46-E50 WeakPolarHBondContact O-CG 3.11Å; S46-E50 PolarHBondContact O-N 3.32Å
47S88.9Confident88.1Confident18 Ų1822 Ų2213%0.12613%0.128CC..Hα-helixtrans-66.9-32.1176.1-54.40000113.2G44 K45 N51 R60G44-S47 PolarHBondContact O-N 3.37Å; G44-S47 VanDerWaalsContact O-N 3.11Å; K45-S47 VanDerWaalsContact C-N 3.32Å; K45-S47 PolarHBondContact O-N 3.37Å; S47-N51 VanDerWaalsContact O-CB 3.31Å; S47-N51 WeakPolarHBondContact O-CB 3.34Å; S47-N51 PolarHBondContact O-N 2.87Å; S47-N51 PolarHBondContact O-OD1 3.08Å; S47-R60 PolarHBondContact OG-NH1 3.13Å
48V89.6Confident88Confident3 Ų322 Ų222%0.01813%0.129CC..Hα-helixtrans-64.2-46.7170.31760000109.8G44 K45 S46 E50 N51 F52 V205 T207 V236 L279G44-V48 PolarHBondContact O-N 2.72Å; K45-V48 WeakPolarHBondContact O-CB 3.49Å; K45-V48 PolarHBondContact O-N 2.83Å; K45-V48 VanDerWaalsContact O-N 3.08Å; S46-V48 VanDerWaalsContact C-N 3.34Å; S46-V48 PolarHBondContact O-N 2.99Å; V48-E50 PolarHBondContact O-N 2.71Å; V48-N51 PolarHBondContact O-N 2.7Å; V48-F52 HydrophobicContact CG1-CD2 4.23Å; V48-F52 HydrophobicContact CG1-CE2 4.1Å; V48-F52 VanDerWaalsContact O-CD2 3.26Å; V48-F52 WeakPolarHBondContact O-CD2 3.38Å; V48-F52 PolarHBondContact O-N 2.7Å; V48-F52 VanDerWaalsContact O-N 3.08Å; V48-V205 HydrophobicContact CG2-CG1 4.46Å; V48-T207 HydrophobicContact CG2-CG2 4Å; V48-V236 HydrophobicContact CG2-CG2 4.17Å; V48-L279 HydrophobicContact CG1-CD2 4.08Å
49L89.5Confident87.6Confident3 Ų322.7 Ų22.72%0.01613%0.133CC..Hα-helixtrans-64.4-38.6178.9-69.4171.8000113.4V37 K45 S46 F52 V53 L58 L136 D138V37-L49 HydrophobicContact CG2-CD1 4.42Å; V37-L49 HydrophobicContact CG2-CD2 3.95Å; V37-L49 HydrophobicContact CG2-CG 4.37Å; K45-L49 PolarHBondContact O-N 3.22Å; S46-L49 PolarHBondContact O-N 3.09Å; S46-L49 VanDerWaalsContact O-N 3.16Å; L49-F52 VanDerWaalsContact O-CB 3.29Å; L49-F52 WeakPolarHBondContact O-CB 3.15Å; L49-F52 PolarHBondContact O-N 2.93Å; L49-F52 VanDerWaalsContact O-N 3.13Å; L49-V53 PolarHBondContact O-N 3.04Å; L49-L58 HydrophobicContact CB-CD1 3.76Å; L49-L58 HydrophobicContact CD1-CD1 4Å; L49-L136 HydrophobicContact CD2-CB 3.84Å; L49-L136 HydrophobicContact CD2-CD1 3.81Å; L49-L136 HydrophobicContact CD2-CD2 4.16Å; L49-L136 HydrophobicContact CD2-CG 4.15Å; L49-D138 HydrophobicContact CD1-CB 3.47Å; L49-D138 VanDerWaalsContact CD1-CB 3.47Å
50E87.9Confident87.1Confident0 Ų026.2 Ų26.20%015%0.146CC..Hα-helixtrans-68.6-37.8175.9-71.7169.7130.800112.1S46 V48 F52 V53 G54 R55 D56 F57 L58 R60S46-E50 WeakPolarHBondContact O-CG 3.11Å; S46-E50 PolarHBondContact O-N 3.32Å; V48-E50 PolarHBondContact O-N 2.71Å; E50-F52 PolarHBondContact O-N 2.76Å; E50-V53 PolarHBondContact O-N 2.67Å; E50-G54 PolarHBondContact O-N 3.38Å; E50-R55 WeakPolarHBondContact CB-O 3.26Å; E50-R55 PolarHBondContact O-N 3.27Å; E50-D56 WeakPolarHBondContact OE1-CA 3.46Å; E50-F57 HydrophobicContact CG-CD1 4.07Å; E50-F57 HydrophobicContact CG-CE1 3.96Å; E50-F57 PolarHBondContact OE1-N 2.92Å; E50-F57 VanDerWaalsContact OE1-N 3.12Å; E50-L58 HydrophobicContact CG-CB 4.26Å; E50-L58 HydrophobicContact CG-CD1 4.14Å; E50-L58 HydrophobicContact CG-CG 4.09Å; E50-L58 PolarHBondContact OE1-N 3.48Å; E50-L58 VanDerWaalsContact OE1-N 3.1Å; E50-R60 IonicContact OE1-CZ 2.65Å; E50-R60 IonicContact OE1-NH2 2.81Å; E50-R60 IonicContact OE2-CZ 2.63Å; E50-R60 IonicContact OE2-NE 2.82Å; E50-R60 IonicContact OE2-NH1 3.9Å; E50-R60 PolarHBondContact OE2-NH1 3.42Å; E50-R60 IonicContact OE2-NH2 3.76Å; E50-R60 PolarHBondContact OE2-NH2 3.45Å
51N84.3Confident86.3Confident7 Ų727.5 Ų27.54%0.03716%0.164CC..Hα-helixtrans-65-22.2170.4-77.74.2000112.8S47 V48 N238 T276 Q280S47-N51 VanDerWaalsContact O-CB 3.31Å; S47-N51 WeakPolarHBondContact O-CB 3.34Å; S47-N51 PolarHBondContact O-N 2.87Å; S47-N51 PolarHBondContact O-OD1 3.08Å; V48-N51 PolarHBondContact O-N 2.7Å; N51-N238 PolarHBondContact ND2-OD1 3.26Å; N51-N238 VanDerWaalsContact ND2-OD1 3.1Å; N51-T276 HydrophobicContact CB-CG2 3.74Å; N51-Q280 PolarHBondContact O-NE2 3.48Å; N51-Q280 VanDerWaalsContact O-NE2 3.07Å
52F81.8Confident85.6Confident8 Ų830.1 Ų30.14%0.03519%0.19CC..Hα-helixtrans-76.3-36.7171.8-95.5-116000113.2V48 L49 E50 L134 L136 L279 Q280 L283V48-F52 HydrophobicContact CG1-CD2 4.23Å; V48-F52 HydrophobicContact CG1-CE2 4.1Å; V48-F52 VanDerWaalsContact O-CD2 3.26Å; V48-F52 WeakPolarHBondContact O-CD2 3.38Å; V48-F52 PolarHBondContact O-N 2.7Å; V48-F52 VanDerWaalsContact O-N 3.08Å; L49-F52 VanDerWaalsContact O-CB 3.29Å; L49-F52 WeakPolarHBondContact O-CB 3.15Å; L49-F52 PolarHBondContact O-N 2.93Å; L49-F52 VanDerWaalsContact O-N 3.13Å; E50-F52 PolarHBondContact O-N 2.76Å; F52-L134 HydrophobicContact CD1-CD1 4.23Å; F52-L134 HydrophobicContact CE1-CD1 4.17Å; F52-L136 HydrophobicContact CB-CD1 4.47Å; F52-L136 HydrophobicContact CD1-CD1 4.13Å; F52-L279 HydrophobicContact CE2-CB 4.49Å; F52-L279 HydrophobicContact CE2-CD2 3.95Å; F52-L279 HydrophobicContact CE2-CG 3.96Å; F52-L279 HydrophobicContact CZ-CD2 4.39Å; F52-L279 HydrophobicContact CZ-CG 3.94Å; F52-Q280 HydrophobicContact CD1-CG 3.85Å; F52-Q280 HydrophobicContact CD2-CG 3.97Å; F52-Q280 HydrophobicContact CE1-CB 4.16Å; F52-Q280 HydrophobicContact CE1-CG 3.69Å; F52-Q280 HydrophobicContact CE2-CG 3.84Å; F52-Q280 HydrophobicContact CG-CG 3.98Å; F52-Q280 HydrophobicContact CZ-CB 4.2Å; F52-Q280 HydrophobicContact CZ-CG 3.69Å; F52-L283 HydrophobicContact CE1-CB 4.32Å; F52-L283 HydrophobicContact CE1-CD1 3.68Å; F52-L283 HydrophobicContact CE1-CG 4.26Å; F52-L283 HydrophobicContact CE2-CD1 4.44Å; F52-L283 HydrophobicContact CZ-CB 4.43Å; F52-L283 HydrophobicContact CZ-CD1 3.41Å; F52-L283 VanDerWaalsContact CZ-CD1 3.41Å; F52-L283 HydrophobicContact CZ-CG 3.92Å
53V83.3Confident85Confident1 Ų127 Ų271%0.00617%0.171CC..Hα-helixtrans-83.2-29.4178.9179.90000112.1L49 E50 R55 F57 L72 L74 F96 I126L49-V53 PolarHBondContact O-N 3.04Å; E50-V53 PolarHBondContact O-N 2.67Å; V53-R55 HydrophobicContact CG1-CB 4.1Å; V53-R55 HydrophobicContact CG1-CG 4.29Å; V53-F57 HydrophobicContact CB-CD1 4.26Å; V53-F57 HydrophobicContact CB-CE1 3.69Å; V53-F57 HydrophobicContact CG1-CD1 4.28Å; V53-F57 HydrophobicContact CG1-CE1 4.11Å; V53-F57 HydrophobicContact CG2-CD1 4.38Å; V53-F57 HydrophobicContact CG2-CE1 3.43Å; V53-F57 VanDerWaalsContact CG2-CE1 3.43Å; V53-F57 HydrophobicContact CG2-CZ 3.79Å; V53-L72 HydrophobicContact CG2-CD2 4.24Å; V53-L74 HydrophobicContact CG2-CD1 4.2Å; V53-L74 HydrophobicContact CG2-CD2 3.66Å; V53-F96 HydrophobicContact CG1-CE1 4.03Å; V53-I126 HydrophobicContact CG1-CD1 4.11Å; V53-I126 HydrophobicContact CG1-CG2 4.19Å; V53-I126 HydrophobicContact CG2-CD1 4.31Å
54G81.9Confident84.4Confident28 Ų2827.7 Ų27.729%0.28918%0.175SC..THydrogen-bonded Turntrans8019.4-172.100000113.4E50 I250E50-G54 PolarHBondContact O-N 3.38Å; G54-I250 WeakPolarHBondContact O-CD1 3.41Å
55R83.5Confident84.2Confident115 Ų11528.9 Ų28.943%0.43418%0.179SC..SBendtrans-144.5149-179.5-61.1-67.1-173.2-169.14.8110.3E50 V53 F57 E81 F96E50-R55 WeakPolarHBondContact CB-O 3.26Å; E50-R55 PolarHBondContact O-N 3.27Å; V53-R55 HydrophobicContact CG1-CB 4.1Å; V53-R55 HydrophobicContact CG1-CG 4.29Å; R55-F57 WeakPolarHBondContact O-CD1 2.96Å; R55-E81 IonicContact CZ-OE2 3.37Å; R55-E81 VanDerWaalsContact CZ-OE2 3.23Å; R55-E81 IonicContact NE-OE1 3.47Å; R55-E81 IonicContact NE-OE2 3.61Å; R55-E81 PolarHBondContact NE-OE2 2.69Å; R55-E81 IonicContact NH2-OE2 3.1Å; R55-E81 PolarHBondContact NH2-OE2 2.9Å; R55-F96 HydrophobicContact CB-CB 4.37Å; R55-F96 HydrophobicContact CB-CD1 3.66Å; R55-F96 HydrophobicContact CB-CD2 4.26Å; R55-F96 HydrophobicContact CB-CE1 3.92Å; R55-F96 HydrophobicContact CB-CG 3.84Å; R55-F96 HydrophobicContact CB-CZ 4.35Å; R55-F96 HydrophobicContact CG-CD1 3.96Å; R55-F96 HydrophobicContact CG-CD2 3.91Å; R55-F96 HydrophobicContact CG-CE1 3.82Å; R55-F96 HydrophobicContact CG-CE2 3.78Å; R55-F96 HydrophobicContact CG-CG 4Å; R55-F96 HydrophobicContact CG-CZ 3.73Å
56D85.7Confident84Confident39 Ų3929.2 Ų29.221%0.20918%0.182CC..  trans-82.9119.3166.1-70.5-78.6000109.2E50 R60 R100 R239E50-D56 WeakPolarHBondContact OE1-CA 3.46Å; D56-R60 IonicContact OD1-CZ 2.84Å; D56-R60 IonicContact OD1-NE 2.69Å; D56-R60 IonicContact OD1-NH2 3.84Å; D56-R60 PolarHBondContact OD1-NH2 2.93Å; D56-R100 VanDerWaalsContact C-NH2 3.31Å; D56-R100 PolarHBondContact O-NH2 3.45Å; D56-R239 IonicContact OD1-CZ 2.69Å; D56-R239 IonicContact OD1-NH1 3.93Å; D56-R239 IonicContact OD1-NH2 2.76Å; D56-R239 PolarHBondContact OD1-NH2 3.5Å; D56-R239 IonicContact OD2-CZ 3.11Å; D56-R239 VanDerWaalsContact OD2-CZ 3.26Å; D56-R239 IonicContact OD2-NH1 3.25Å; D56-R239 PolarHBondContact OD2-NH1 3.32Å; D56-R239 IonicContact OD2-NH2 3.39Å; D56-R239 PolarHBondContact OD2-NH2 3.32Å
57F90.5Very high83.9Confident0 Ų029.6 Ų29.60%018%0.18CC..  trans-149.7-7.7-178.271.5-82.9000113.5E50 V53 R55 L72 F96 I99 R100 I103 L124 I126E50-F57 HydrophobicContact CG-CD1 4.07Å; E50-F57 HydrophobicContact CG-CE1 3.96Å; E50-F57 PolarHBondContact OE1-N 2.92Å; E50-F57 VanDerWaalsContact OE1-N 3.12Å; V53-F57 HydrophobicContact CB-CD1 4.26Å; V53-F57 HydrophobicContact CB-CE1 3.69Å; V53-F57 HydrophobicContact CG1-CD1 4.28Å; V53-F57 HydrophobicContact CG1-CE1 4.11Å; V53-F57 HydrophobicContact CG2-CD1 4.38Å; V53-F57 HydrophobicContact CG2-CE1 3.43Å; V53-F57 VanDerWaalsContact CG2-CE1 3.43Å; V53-F57 HydrophobicContact CG2-CZ 3.79Å; R55-F57 WeakPolarHBondContact O-CD1 2.96Å; F57-L72 HydrophobicContact CE2-CD1 4.08Å; F57-L72 HydrophobicContact CE2-CD2 4.2Å; F57-L72 HydrophobicContact CZ-CD1 4.23Å; F57-L72 HydrophobicContact CZ-CD2 3.68Å; F57-F96 HydrophobicContact CB-CB 4.1Å; F57-F96 HydrophobicContact CB-CD1 3.87Å; F57-F96 HydrophobicContact CB-CG 4.49Å; F57-F96 HydrophobicContact CG-CD1 4.38Å; F57-I99 HydrophobicContact CB-CG2 4.22Å; F57-I99 HydrophobicContact CD2-CG2 4.16Å; F57-R100 VanDerWaalsContact O-CA 3.26Å; F57-R100 WeakPolarHBondContact O-CA 3.49Å; F57-R100 WeakPolarHBondContact O-CB 3.36Å; F57-I103 HydrophobicContact CD2-CD1 4.35Å; F57-L124 HydrophobicContact CD2-CD2 4.09Å; F57-L124 HydrophobicContact CE2-CD2 4.1Å; F57-I126 HydrophobicContact CD2-CD1 4.12Å; F57-I126 HydrophobicContact CE1-CD1 4.43Å; F57-I126 HydrophobicContact CE2-CD1 3.98Å; F57-I126 HydrophobicContact CG-CD1 4.4Å; F57-I126 HydrophobicContact CZ-CD1 4.17Å
58L91Very high84Confident2 Ų229.1 Ų29.11%0.0118%0.175CC..SBendtrans-87.9148.6176.2-65178.6000109.7L49 E50 L70 R100 I103L49-L58 HydrophobicContact CB-CD1 3.76Å; L49-L58 HydrophobicContact CD1-CD1 4Å; E50-L58 HydrophobicContact CG-CB 4.26Å; E50-L58 HydrophobicContact CG-CD1 4.14Å; E50-L58 HydrophobicContact CG-CG 4.09Å; E50-L58 PolarHBondContact OE1-N 3.48Å; E50-L58 VanDerWaalsContact OE1-N 3.1Å; L58-L70 HydrophobicContact CD2-CD2 3.29Å; L58-R100 WeakPolarHBondContact O-CD 3.35Å; L58-R100 WeakPolarHBondContact O-CG 3.11Å; L58-R100 PolarHBondContact O-NE 2.97Å; L58-R100 VanDerWaalsContact O-NE 3.12Å; L58-I103 HydrophobicContact CD2-CD1 4.29Å
59P86.4Confident84Confident14 Ų1429 Ų299%0.09117%0.174CC..  trans-58.3151.1174.1-23.735.6000110.7V65 R100 I103 E104P59-V65 VanDerWaalsContact C-CG1 3.48Å; P59-V65 HydrophobicContact CB-CG1 3.65Å; P59-V65 WeakPolarHBondContact O-CG1 3.39Å; P59-R100 HydrophobicContact CG-CG 4.47Å; P59-I103 HydrophobicContact CG-CB 4.17Å; P59-I103 HydrophobicContact CG-CG2 3.66Å; P59-E104 HydrophobicContact CB-CG 3.77Å; P59-E104 WeakPolarHBondContact CB-OE1 3.35Å; P59-E104 HydrophobicContact CG-CG 3.71Å
60R80.8Confident84.2Confident75 Ų7529.2 Ų29.228%0.28318%0.175SC..  trans-135.2136.8175.5-63.8-171.3-173.7-84.57.8109.8S47 E50 D56S47-R60 PolarHBondContact OG-NH1 3.13Å; E50-R60 IonicContact OE1-CZ 2.65Å; E50-R60 IonicContact OE1-NH2 2.81Å; E50-R60 IonicContact OE2-CZ 2.63Å; E50-R60 IonicContact OE2-NE 2.82Å; E50-R60 IonicContact OE2-NH1 3.9Å; E50-R60 PolarHBondContact OE2-NH1 3.42Å; E50-R60 IonicContact OE2-NH2 3.76Å; E50-R60 PolarHBondContact OE2-NH2 3.45Å; D56-R60 IonicContact OD1-CZ 2.84Å; D56-R60 IonicContact OD1-NE 2.69Å; D56-R60 IonicContact OD1-NH2 3.84Å; D56-R60 PolarHBondContact OD1-NH2 2.93Å
61G75.9Confident84.2Confident57 Ų5730.3 Ų30.359%0.58818%0.181SC*.  trans177.7-179.4-179.600000113.4V65G61-V65 VanDerWaalsContact O-CG2 3.24Å; G61-V65 WeakPolarHBondContact O-CG2 3.47Å
62S72.2Confident84.4Confident126 Ų12630 Ų3088%0.88118%0.179SC*.SBendtrans-86.6145.5171.756.50000111.2
63G74.9Confident84.5Confident18 Ų1831.9 Ų31.919%0.18619%0.188CC..SBendtrans89.4-158.8-175.700000113.5Q41 V65Q41-G63 PolarHBondContact NE2-O 3.13Å; G63-V65 PolarHBondContact O-N 2.81Å
64I77Confident84.5Confident15 Ų1532.1 Ų32.18%0.07719%0.189CC..  trans-79.7104.1176.3-54-168.2000108.4T66 R67 T143 I154 I158I64-T66 WeakPolarHBondContact CG2-O 3.2Å; I64-R67 HydrophobicContact CG2-CG 4.12Å; I64-T143 HydrophobicContact CD1-CG2 3.63Å; I64-T143 HydrophobicContact CG1-CG2 3.75Å; I64-I154 HydrophobicContact CD1-CG1 4.3Å; I64-I158 HydrophobicContact CD1-CD1 3.55Å
65V83.1Confident84.4Confident40 Ų4032.9 Ų32.924%0.24219%0.188CC..  trans-80.4-59.6-177.2-179.70000110.4P59 G61 G63 R67P59-V65 VanDerWaalsContact C-CG1 3.48Å; P59-V65 HydrophobicContact CB-CG1 3.65Å; P59-V65 WeakPolarHBondContact O-CG1 3.39Å; G61-V65 VanDerWaalsContact O-CG2 3.24Å; G61-V65 WeakPolarHBondContact O-CG2 3.47Å; G63-V65 PolarHBondContact O-N 2.81Å; V65-R67 PolarHBondContact O-N 2.8Å
66T86.7Confident84.1Confident20 Ų2030 Ų3012%0.12318%0.18CC..  trans-73.5101.7170.7-49.30000109.5I64 R68 D138 P140I64-T66 WeakPolarHBondContact CG2-O 3.2Å; T66-R68 VanDerWaalsContact CG2-O 3.27Å; T66-R68 WeakPolarHBondContact CG2-O 3.5Å; T66-D138 HydrophobicContact CG2-CB 4.4Å; T66-D138 WeakPolarHBondContact CG2-OD2 3.12Å; T66-D138 PolarHBondContact OG1-OD2 3.49Å; T66-P140 WeakPolarHBondContact O-CA 3.33Å; T66-P140 VanDerWaalsContact O-CB 3.24Å; T66-P140 WeakPolarHBondContact O-CB 3.5Å; T66-P140 WeakPolarHBondContact O-CG 3.35Å
67R87.7Confident83.9Confident32 Ų3229.8 Ų29.812%0.12118%0.179CC..  trans-101-8.9179.8-71.1176.1-77.4155.4-9.7114.6I64 V65 T107 D108 T111 G112 G116 I117 S118I64-R67 HydrophobicContact CG2-CG 4.12Å; V65-R67 PolarHBondContact O-N 2.8Å; R67-T107 HydrophobicContact CB-CG2 3.75Å; R67-D108 IonicContact CZ-OD1 2.88Å; R67-D108 IonicContact NH1-OD1 2.75Å; R67-D108 PolarHBondContact NH1-OD1 3.12Å; R67-D108 IonicContact NH2-OD1 3.59Å; R67-D108 PolarHBondContact NH2-OD1 3.43Å; R67-D108 IonicContact NH2-OD2 3.83Å; R67-T111 PolarHBondContact NH1-OG1 2.86Å; R67-G112 PolarHBondContact NH1-O 3.02Å; R67-G116 WeakPolarHBondContact CD-O 3.49Å; R67-I117 HydrophobicContact CB-CG2 4.27Å; R67-I117 HydrophobicContact CG-CG2 4.43Å; R67-I117 VanDerWaalsContact O-CA 3.27Å; R67-I117 WeakPolarHBondContact O-CA 3.35Å; R67-I117 WeakPolarHBondContact O-CB 3.39Å; R67-S118 PolarHBondContact O-N 2.75Å; R67-S118 VanDerWaalsContact O-N 3.12Å
68R90Very high83.2Confident9 Ų938.5 Ų38.53%0.03422%0.217CC..SBendtrans-134.4148.5176.1-68.9175.564.7-172.6-6108.6T66 L70 E106 T107 I110 T111 S118 I120 P121 I122T66-R68 VanDerWaalsContact CG2-O 3.27Å; T66-R68 WeakPolarHBondContact CG2-O 3.5Å; R68-L70 PolarHBondContact O-N 3.44Å; R68-E106 IonicContact CZ-OE1 3.57Å; R68-E106 PolarHBondContact NH1-O 3.26Å; R68-E106 IonicContact NH1-OE1 2.76Å; R68-E106 PolarHBondContact NH1-OE1 3.39Å; R68-E106 IonicContact NH2-OE1 3.3Å; R68-T107 HydrophobicContact CG-CG2 4.39Å; R68-I110 VanDerWaalsContact NH1-CG1 3.26Å; R68-T111 HydrophobicContact CG-CG2 4Å; R68-S118 WeakPolarHBondContact CA-O 3.46Å; R68-I120 PolarHBondContact NE-O 2.54Å; R68-I120 PolarHBondContact NH2-O 2.82Å; R68-P121 PolarHBondContact NH2-O 2.8Å; R68-I122 HydrophobicContact CB-CD1 4.46Å; R68-I122 HydrophobicContact CB-CG1 4.44Å
69P90.7Very high82.6Confident0 Ų043 Ų430%025%0.248CC..  trans-58.3131.8170.7-22.533.9000110.3S118 P121 I122 I137 D138 L139 M161 F165P69-S118 VanDerWaalsContact CD-O 3.23Å; P69-S118 WeakPolarHBondContact CD-O 3.43Å; P69-P121 HydrophobicContact CB-CB 4.2Å; P69-P121 CarbonylContact O-C 3.48Å; P69-P121 WeakPolarHBondContact O-CA 3.41Å; P69-I122 PolarHBondContact O-N 3.37Å; P69-I137 HydrophobicContact CB-CG2 4.48Å; P69-D138 WeakPolarHBondContact CA-O 3.48Å; P69-L139 HydrophobicContact CB-CD2 3.98Å; P69-L139 HydrophobicContact CG-CD2 4.25Å; P69-M161 VanDerWaalsContact CD-SD 3.59Å; P69-M161 HydrophobicContact CG-CG 3.96Å; P69-M161 HydrophobicContact CG-SD 3.6Å; P69-M161 VanDerWaalsContact CG-SD 3.6Å; P69-F165 HydrophobicContact CB-CE2 3.97Å; P69-F165 HydrophobicContact CB-CZ 3.82Å; P69-F165 HydrophobicContact CG-CE2 3.79Å; P69-F165 HydrophobicContact CG-CZ 3.99Å
70L91.9Very high82.3Confident7 Ų745.9 Ų45.94%0.03727%0.265CS..EExtended strand (participates in β ladder)trans-108.3107.8173.5-179.569.8000109.2L58 R68 L72 I103 I122 L124 I137 D138L58-L70 HydrophobicContact CD2-CD2 3.29Å; R68-L70 PolarHBondContact O-N 3.44Å; L70-L72 PolarHBondContact O-N 2.78Å; L70-I103 HydrophobicContact CD1-CD1 4.47Å; L70-I103 HydrophobicContact CD1-CG1 4.5Å; L70-I103 HydrophobicContact CD2-CD1 4.09Å; L70-I122 HydrophobicContact CD1-CB 3.78Å; L70-I122 HydrophobicContact CD1-CG2 3.71Å; L70-L124 HydrophobicContact CD1-CB 4.14Å; L70-I137 WeakPolarHBondContact O-CA 3.28Å; L70-D138 HydrophobicContact CB-CB 4.18Å; L70-D138 PolarHBondContact N-O 3.13Å; L70-D138 PolarHBondContact O-N 2.88Å
71I89.2Confident82.7Confident23 Ų2344.3 Ų44.312%0.11826%0.261CS..EExtended strand (participates in β ladder)trans-83.9104.3173-59.2176.7000107.5Q73 P121 I122 L124 T135 I137I71-Q73 HydrophobicContact CG2-CG 4.44Å; I71-P121 HydrophobicContact CD1-CB 3.64Å; I71-P121 HydrophobicContact CD1-CG 3.92Å; I71-P121 HydrophobicContact CG1-CB 3.91Å; I71-I122 PolarHBondContact N-O 3.14Å; I71-L124 PolarHBondContact O-N 2.84Å; I71-T135 HydrophobicContact CG2-CG2 3.98Å; I71-I137 HydrophobicContact CG1-CD1 4.47Å; I71-I137 HydrophobicContact CG1-CG1 4.37Å; I71-I137 HydrophobicContact CG1-CG2 4.45Å
72L88.3Confident83.4Confident1 Ų142.8 Ų42.81%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-100.7106.7-177.8177.364.1000109.9V53 F57 L70 L74 L124 I126 T135 L136V53-L72 HydrophobicContact CG2-CD2 4.24Å; F57-L72 HydrophobicContact CE2-CD1 4.08Å; F57-L72 HydrophobicContact CE2-CD2 4.2Å; F57-L72 HydrophobicContact CZ-CD1 4.23Å; F57-L72 HydrophobicContact CZ-CD2 3.68Å; L70-L72 PolarHBondContact O-N 2.78Å; L72-L74 HydrophobicContact CD1-CD2 3.79Å; L72-L74 HydrophobicContact CD2-CD2 3.98Å; L72-L74 HydrophobicContact CD2-CG 4.48Å; L72-L74 HydrophobicContact CG-CD2 3.7Å; L72-L74 HydrophobicContact CG-CG 4.21Å; L72-L124 WeakPolarHBondContact CA-O 3.33Å; L72-L124 HydrophobicContact CD1-CD2 4.06Å; L72-L124 HydrophobicContact CD1-CG 4.11Å; L72-I126 HydrophobicContact CD1-CD1 3.57Å; L72-I126 HydrophobicContact CD1-CG1 3.79Å; L72-T135 WeakPolarHBondContact O-CA 3.31Å; L72-L136 HydrophobicContact CB-CB 4.32Å; L72-L136 HydrophobicContact CD2-CB 4.46Å; L72-L136 HydrophobicContact CD2-CD1 4.28Å; L72-L136 PolarHBondContact N-O 2.83Å; L72-L136 PolarHBondContact O-N 3.46Å
73Q84Confident84.3Confident48 Ų4836.8 Ų36.822%0.22420%0.196CC..EExtended strand (participates in β ladder)trans-96100.1176.5-71.1179.8-8.800109.4I71 L124 R125 I126 T135I71-Q73 HydrophobicContact CG2-CG 4.44Å; Q73-L124 PolarHBondContact N-O 2.88Å; Q73-R125 HydrophobicContact CB-CG 3.8Å; Q73-R125 CarbonylContact O-C 3.55Å; Q73-R125 VanDerWaalsContact O-CA 3.29Å; Q73-R125 WeakPolarHBondContact O-CA 3.23Å; Q73-I126 PolarHBondContact O-N 2.84Å; Q73-T135 HydrophobicContact CG-CG2 4.17Å
74L82.3Confident85Confident5 Ų538.4 Ų38.43%0.02620%0.199CC..EExtended strand (participates in β ladder)trans-81128.5173.2-56.7-172.5000109.5V53 L72 I126 V131 L132 N133 L134 L136V53-L74 HydrophobicContact CG2-CD1 4.2Å; V53-L74 HydrophobicContact CG2-CD2 3.66Å; L72-L74 HydrophobicContact CD1-CD2 3.79Å; L72-L74 HydrophobicContact CD2-CD2 3.98Å; L72-L74 HydrophobicContact CD2-CG 4.48Å; L72-L74 HydrophobicContact CG-CD2 3.7Å; L72-L74 HydrophobicContact CG-CG 4.21Å; L74-I126 HydrophobicContact CD2-CB 3.99Å; L74-I126 HydrophobicContact CD2-CD1 4.47Å; L74-I126 HydrophobicContact CD2-CG1 4.49Å; L74-V131 HydrophobicContact CB-CB 4.1Å; L74-V131 HydrophobicContact CB-CG2 3.96Å; L74-V131 HydrophobicContact CD1-CB 4.19Å; L74-V131 HydrophobicContact CD1-CG1 4.19Å; L74-V131 HydrophobicContact CD2-CG1 4.49Å; L74-L132 WeakPolarHBondContact CB-O 3.41Å; L74-N133 WeakPolarHBondContact O-CA 3.31Å; L74-L134 HydrophobicContact CB-CB 4.45Å; L74-L134 PolarHBondContact N-O 3.12Å; L74-L134 PolarHBondContact O-N 3.24Å; L74-L134 VanDerWaalsContact O-N 3.13Å; L74-L136 HydrophobicContact CD1-CD1 3.69Å; L74-L136 HydrophobicContact CG-CD1 4.28Å
75V79.7Confident85.6Confident44 Ų4438 Ų3827%0.26720%0.196SC..EExtended strand (participates in β ladder)trans-124.7124.9179.6-176.70000108.7D77 I126 H127 S128 V131 N133V75-D77 PolarHBondContact O-N 3.39Å; V75-I126 PolarHBondContact N-O 2.93Å; V75-H127 WeakPolarHBondContact O-CA 3.38Å; V75-S128 PolarHBondContact O-N 3.04Å; V75-V131 WeakPolarHBondContact O-CG2 3.4Å; V75-N133 WeakPolarHBondContact CA-OD1 3.23Å
76H77.3Confident85.6Confident55 Ų5540.2 Ų40.226%0.25521%0.206SC..EExtended strand (participates in β ladder)trans-73.2108.4176.1-175.371.6000109.9S128 P129 V131 N133H76-S128 WeakPolarHBondContact CA-O 3.24Å; H76-P129 PolarHBondContact CE1-O 3.46Å; H76-P129 PolarHBondContact ND1-O 3.49Å; H76-V131 WeakPolarHBondContact CB-O 3.26Å; H76-V131 PolarHBondContact ND1-O 3.01Å; H76-N133 PolarHBondContact N-OD1 3.41Å
77D81.4Confident85.5Confident35 Ų3542.7 Ų42.719%0.18722%0.216CC..  trans-119.8119.5175.6-169-37.4000109.3V75 S79 V80 H127 S128 P129V75-D77 PolarHBondContact O-N 3.39Å; D77-S79 PolarHBondContact O-N 2.89Å; D77-S79 WeakPolarHBondContact OD1-CB 3.47Å; D77-S79 PolarHBondContact OD1-N 3.07Å; D77-S79 PolarHBondContact OD1-OG 2.72Å; D77-V80 PolarHBondContact OD1-N 2.83Å; D77-H127 HydrophobicContact CB-CB 3.97Å; D77-H127 IonicContact OD2-ND1 3.02Å; D77-S128 PolarHBondContact N-O 2.9Å; D77-S128 VanDerWaalsContact N-O 3.09Å; D77-S128 CarbonylContact O-C 3.56Å; D77-P129 WeakPolarHBondContact O-CA 3.38Å; D77-P129 WeakPolarHBondContact O-CB 3.32Å; D77-P129 WeakPolarHBondContact O-CD 3.46Å
78K77.4Confident85.4Confident183 Ų18342.3 Ų42.380%0.79622%0.218SC*.SBendtrans-71.3-12.7-177.1-65.4175.1-176.8166.80113.6
79S77.2Confident84.7Confident96 Ų9650.3 Ų50.367%0.67125%0.253SS*.SBendtrans-118-35.7-16167.20000115.1D77D77-S79 PolarHBondContact O-N 2.89Å; D77-S79 WeakPolarHBondContact OD1-CB 3.47Å; D77-S79 PolarHBondContact OD1-N 3.07Å; D77-S79 PolarHBondContact OD1-OG 2.72Å
80V80.9Confident84.1Confident75 Ų7558.3 Ų58.346%0.45530%0.296SS..  trans-143.4141.9-175.4-165.80000110.4D77 Y82D77-V80 PolarHBondContact OD1-N 2.83Å; V80-Y82 HydrophobicContact CB-CD1 3.94Å; V80-Y82 HydrophobicContact CB-CE1 4.14Å; V80-Y82 HydrophobicContact CG1-CD1 3.73Å; V80-Y82 HydrophobicContact CG1-CE1 4.34Å
81E87.9Confident84Confident41 Ų4162.8 Ų62.819%0.19232%0.315CS..  trans-104.1119.8169.9-175.9168.2-118.300110.4R55 F96 H127 S128R55-E81 IonicContact CZ-OE2 3.37Å; R55-E81 VanDerWaalsContact CZ-OE2 3.23Å; R55-E81 IonicContact NE-OE1 3.47Å; R55-E81 IonicContact NE-OE2 3.61Å; R55-E81 PolarHBondContact NE-OE2 2.69Å; R55-E81 IonicContact NH2-OE2 3.1Å; R55-E81 PolarHBondContact NH2-OE2 2.9Å; E81-F96 HydrophobicContact CG-CE2 3.73Å; E81-F96 HydrophobicContact CG-CZ 3.59Å; E81-H127 CarbonylContact C-O 3.56Å; E81-H127 VanDerWaalsContact CA-O 3.25Å; E81-H127 WeakPolarHBondContact CA-O 3.47Å; E81-S128 WeakPolarHBondContact OE1-CB 3.43Å; E81-S128 PolarHBondContact OE1-OG 3.41Å
82Y92Very high84.1Confident26 Ų2667 Ų6710%0.10233%0.333CS..EExtended strand (participates in β ladder)trans-163.4155.5179.465.9-80.9000112.8V80 E84 K92 F93 H127V80-Y82 HydrophobicContact CB-CD1 3.94Å; V80-Y82 HydrophobicContact CB-CE1 4.14Å; V80-Y82 HydrophobicContact CG1-CD1 3.73Å; V80-Y82 HydrophobicContact CG1-CE1 4.34Å; Y82-E84 HydrophobicContact CD2-CG 3.96Å; Y82-E84 HydrophobicContact CE2-CG 3.82Å; Y82-E84 WeakPolarHBondContact CE2-OE1 3.47Å; Y82-K92 HydrophobicContact CD2-CB 4.07Å; Y82-K92 HydrophobicContact CD2-CD 3.9Å; Y82-K92 HydrophobicContact CD2-CG 3.8Å; Y82-K92 HydrophobicContact CE2-CD 3.91Å; Y82-K92 HydrophobicContact CE2-CG 4.01Å; Y82-K92 HydrophobicContact CG-CD 4.42Å; Y82-K92 PolarHBondContact OH-NZ 3Å; Y82-K92 VanDerWaalsContact OH-NZ 3.11Å; Y82-F93 CarbonylContact C-O 3.33Å; Y82-F93 WeakPolarHBondContact CA-O 3.48Å; Y82-H127 HydrophobicContact CD1-CB 3.76Å; Y82-H127 HydrophobicContact CE1-CB 3.48Å; Y82-H127 VanDerWaalsContact CE1-CB 3.48Å; Y82-H127 AromaticContact CE1-CG 3.68Å; Y82-H127 HydrophobicContact CE2-CB 4.29Å; Y82-H127 AromaticContact CE2-CD2 3.5Å; Y82-H127 AromaticContact CE2-CG 3.89Å; Y82-H127 HydrophobicContact CG-CB 4.3Å; Y82-H127 AromaticContact CZ-CD2 3.52Å; Y82-H127 AromaticContact CZ-CG 3.43Å; Y82-H127 VanDerWaalsContact CZ-CG 3.43Å; Y82-H127 AromaticContact CZ-ND1 3.88Å; Y82-H127 PolarHBondContact N-O 2.93Å; Y82-H127 PolarHBondContact O-N 2.87Å
83G90.6Very high84.3Confident0 Ų067.3 Ų67.30%033%0.334CS..EExtended strand (participates in β ladder)trans-102.2150.8170.300000113.8F93 R125G83-F93 PolarHBondContact N-O 2.93Å; G83-F93 PolarHBondContact O-N 3.07Å; G83-R125 CarbonylContact C-O 3.5Å; G83-R125 WeakPolarHBondContact CA-O 3.1Å
84E90.3Very high84.6Confident51 Ų5170.3 Ų70.324%0.23836%0.355CS..EExtended strand (participates in β ladder)trans-135.6133.3168.6-71.7-174.3178.500110.4Y82 K92 R125Y82-E84 HydrophobicContact CD2-CG 3.96Å; Y82-E84 HydrophobicContact CE2-CG 3.82Å; Y82-E84 WeakPolarHBondContact CE2-OE1 3.47Å; E84-K92 HydrophobicContact CG-CG 4.07Å; E84-K92 WeakPolarHBondContact OE1-CE 3.29Å; E84-K92 WeakPolarHBondContact OE1-CG 3.46Å; E84-K92 IonicContact OE1-NZ 3.15Å; E84-K92 PolarHBondContact OE1-NZ 3.46Å; E84-R125 PolarHBondContact N-O 3.47Å; E84-R125 PolarHBondContact O-N 2.86Å
85F88.9Confident85Confident6 Ų673.2 Ų73.23%0.02637%0.371CS..EExtended strand (participates in β ladder)trans-101.8143.6172.2-68.2-87.7000111.3H87 C88 F93 I99 E102 I103 I122 N123 L124F85-H87 VanDerWaalsContact C-N 3.27Å; F85-H87 VanDerWaalsContact CB-CE1 3.5Å; F85-H87 WeakPolarHBondContact CB-CE1 3.3Å; F85-H87 AromaticContact CD1-CE1 3.45Å; F85-H87 VanDerWaalsContact CD1-CE1 3.45Å; F85-H87 WeakPolarHBondContact CD1-CE1 3.11Å; F85-H87 AromaticContact CD1-ND1 3.99Å; F85-H87 AromaticContact CG-CE1 3.56Å; F85-H87 PolarHBondContact O-N 2.96Å; F85-C88 HydrophobicContact CB-CB 4.12Å; F85-C88 CarbonylContact O-C 3.57Å; F85-C88 PolarHBondContact O-N 2.85Å; F85-F93 HydrophobicContact CD2-CD2 4.01Å; F85-F93 HydrophobicContact CD2-CE1 4.44Å; F85-F93 AromaticContact CD2-CE2 3.59Å; F85-F93 HydrophobicContact CD2-CE2 3.59Å; F85-F93 AromaticContact CD2-CZ 3.82Å; F85-F93 HydrophobicContact CD2-CZ 3.82Å; F85-F93 HydrophobicContact CE2-CD1 4.42Å; F85-F93 HydrophobicContact CE2-CD2 4.31Å; F85-F93 HydrophobicContact CE2-CE1 4.19Å; F85-F93 HydrophobicContact CE2-CE2 4.1Å; F85-F93 HydrophobicContact CE2-CG 4.48Å; F85-F93 HydrophobicContact CE2-CZ 4.02Å; F85-I99 HydrophobicContact CE2-CG1 4.48Å; F85-I99 HydrophobicContact CE2-CG2 4.2Å; F85-I99 HydrophobicContact CZ-CG2 3.81Å; F85-E102 HydrophobicContact CD2-CG 3.87Å; F85-E102 HydrophobicContact CE2-CB 3.77Å; F85-E102 HydrophobicContact CE2-CG 3.61Å; F85-E102 HydrophobicContact CG-CG 4.43Å; F85-E102 HydrophobicContact CZ-CB 4Å; F85-E102 HydrophobicContact CZ-CG 3.95Å; F85-I103 HydrophobicContact CE1-CG1 3.85Å; F85-I103 HydrophobicContact CZ-CG1 3.82Å; F85-I122 HydrophobicContact CD1-CG2 3.98Å; F85-I122 HydrophobicContact CE1-CG2 3.95Å; F85-N123 WeakPolarHBondContact CA-O 3.4Å; F85-L124 HydrophobicContact CD1-CB 4.03Å; F85-L124 HydrophobicContact CD1-CD1 4.05Å; F85-L124 HydrophobicContact CD2-CD1 4.24Å; F85-L124 HydrophobicContact CE1-CB 3.89Å; F85-L124 HydrophobicContact CE1-CD1 3.84Å; F85-L124 HydrophobicContact CE1-CD2 4.19Å; F85-L124 HydrophobicContact CE1-CG 4.18Å; F85-L124 HydrophobicContact CE2-CD1 4.03Å; F85-L124 HydrophobicContact CG-CD1 4.26Å; F85-L124 HydrophobicContact CZ-CD1 3.84Å; F85-L124 HydrophobicContact CZ-CD2 4.26Å; F85-L124 HydrophobicContact CZ-CG 4.47Å
86I84Confident85.5Confident87 Ų8771.9 Ų71.945%0.44636%0.362SS..SBendtrans-64.3-32.6176.9-62.6-169.8000111.8N123I86-N123 HydrophobicContact CB-CB 4.06Å; I86-N123 HydrophobicContact CD1-CB 3.41Å; I86-N123 VanDerWaalsContact CD1-CB 3.41Å; I86-N123 HydrophobicContact CG1-CB 3.61Å; I86-N123 PolarHBondContact N-O 3.05Å
87H83.8Confident86.1Confident72 Ų7272 Ų7233%0.33336%0.364SS..SBendtrans-77.3-27.317766-80.9000113.2F85 K89 E102 E106F85-H87 VanDerWaalsContact C-N 3.27Å; F85-H87 VanDerWaalsContact CB-CE1 3.5Å; F85-H87 WeakPolarHBondContact CB-CE1 3.3Å; F85-H87 AromaticContact CD1-CE1 3.45Å; F85-H87 VanDerWaalsContact CD1-CE1 3.45Å; F85-H87 WeakPolarHBondContact CD1-CE1 3.11Å; F85-H87 AromaticContact CD1-ND1 3.99Å; F85-H87 AromaticContact CG-CE1 3.56Å; F85-H87 PolarHBondContact O-N 2.96Å; H87-K89 PolarHBondContact O-N 2.96Å; H87-E102 IonicContact CD2-OE1 2.74Å; H87-E102 IonicContact CE1-OE1 2.93Å; H87-E102 IonicContact NE2-OE1 3.82Å; H87-E102 PolarHBondContact NE2-OE1 3.31Å; H87-E106 IonicContact CD2-OE2 2.75Å; H87-E106 IonicContact NE2-OE2 2.75Å
88C86.2Confident86.7Confident24 Ų2473.6 Ų73.616%0.16237%0.373CS..SBendtrans-96.461.2175.1-58.70000112.3F85 N90 K91 F93F85-C88 HydrophobicContact CB-CB 4.12Å; F85-C88 CarbonylContact O-C 3.57Å; F85-C88 PolarHBondContact O-N 2.85Å; C88-N90 PolarHBondContact O-N 2.9Å; C88-K91 HydrophobicContact CB-CB 4.12Å; C88-K91 PolarHBondContact O-N 2.95Å; C88-F93 HydrophobicContact CB-CE2 4.02Å; C88-F93 HydrophobicContact CB-CZ 4.36Å
89K74.9Confident87.5Confident177 Ų17764.9 Ų64.977%0.7734%0.335SS*.THydrogen-bonded Turntrans-48.1130.7-179.2-64.5-175.6179.8-179.10112H87 K91H87-K89 PolarHBondContact O-N 2.96Å; K89-K91 PolarHBondContact O-N 3.29Å
90N78.6Confident88.2Confident168 Ų16862.6 Ų62.690%0.89831%0.312SS*.THydrogen-bonded Turntrans65.68.3179.6-50.7-25.4000116.5C88C88-N90 PolarHBondContact O-N 2.9Å
91K89.3Confident88.8Confident101 Ų10163.8 Ų63.844%0.43931%0.308SS..  trans-98.9111.2173.2-173-178.6171-165.70110.5C88 K89 F93C88-K91 HydrophobicContact CB-CB 4.12Å; C88-K91 PolarHBondContact O-N 2.95Å; K89-K91 PolarHBondContact O-N 3.29Å; K91-F93 HydrophobicContact CB-CE2 4.06Å; K91-F93 HydrophobicContact CD-CD2 4.37Å; K91-F93 HydrophobicContact CD-CE1 4.3Å; K91-F93 HydrophobicContact CD-CE2 3.57Å; K91-F93 HydrophobicContact CD-CZ 3.56Å; K91-F93 VanDerWaalsContact CE-CZ 3.43Å; K91-F93 HydrophobicContact CG-CD2 4.09Å; K91-F93 HydrophobicContact CG-CE2 3.66Å; K91-F93 HydrophobicContact CG-CZ 4.18Å; K91-F93 VanDerWaalsContact NZ-CZ 3.33Å; K91-F93 WeakPolarHBondContact O-CD2 3Å
92K91Very high89.1Confident113 Ų11362.7 Ų62.749%0.49130%0.303SS..EExtended strand (participates in β ladder)trans-85.9131.2168.7-66-178-173.7-73.70109.7Y82 E84Y82-K92 HydrophobicContact CD2-CB 4.07Å; Y82-K92 HydrophobicContact CD2-CD 3.9Å; Y82-K92 HydrophobicContact CD2-CG 3.8Å; Y82-K92 HydrophobicContact CE2-CD 3.91Å; Y82-K92 HydrophobicContact CE2-CG 4.01Å; Y82-K92 HydrophobicContact CG-CD 4.42Å; Y82-K92 PolarHBondContact OH-NZ 3Å; Y82-K92 VanDerWaalsContact OH-NZ 3.11Å; E84-K92 HydrophobicContact CG-CG 4.07Å; E84-K92 WeakPolarHBondContact OE1-CE 3.29Å; E84-K92 WeakPolarHBondContact OE1-CG 3.46Å; E84-K92 IonicContact OE1-NZ 3.15Å; E84-K92 PolarHBondContact OE1-NZ 3.46Å
93F92.8Very high89.1Confident6 Ų661.9 Ų61.93%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-104.6113.4178.6-69.6-112.1000108.9Y82 G83 F85 C88 K91 D98 I99 E102Y82-F93 CarbonylContact C-O 3.33Å; Y82-F93 WeakPolarHBondContact CA-O 3.48Å; G83-F93 PolarHBondContact N-O 2.93Å; G83-F93 PolarHBondContact O-N 3.07Å; F85-F93 HydrophobicContact CD2-CD2 4.01Å; F85-F93 HydrophobicContact CD2-CE1 4.44Å; F85-F93 AromaticContact CD2-CE2 3.59Å; F85-F93 HydrophobicContact CD2-CE2 3.59Å; F85-F93 AromaticContact CD2-CZ 3.82Å; F85-F93 HydrophobicContact CD2-CZ 3.82Å; F85-F93 HydrophobicContact CE2-CD1 4.42Å; F85-F93 HydrophobicContact CE2-CD2 4.31Å; F85-F93 HydrophobicContact CE2-CE1 4.19Å; F85-F93 HydrophobicContact CE2-CE2 4.1Å; F85-F93 HydrophobicContact CE2-CG 4.48Å; F85-F93 HydrophobicContact CE2-CZ 4.02Å; C88-F93 HydrophobicContact CB-CE2 4.02Å; C88-F93 HydrophobicContact CB-CZ 4.36Å; K91-F93 HydrophobicContact CB-CE2 4.06Å; K91-F93 HydrophobicContact CD-CD2 4.37Å; K91-F93 HydrophobicContact CD-CE1 4.3Å; K91-F93 HydrophobicContact CD-CE2 3.57Å; K91-F93 HydrophobicContact CD-CZ 3.56Å; K91-F93 VanDerWaalsContact CE-CZ 3.43Å; K91-F93 HydrophobicContact CG-CD2 4.09Å; K91-F93 HydrophobicContact CG-CE2 3.66Å; K91-F93 HydrophobicContact CG-CZ 4.18Å; K91-F93 VanDerWaalsContact NZ-CZ 3.33Å; K91-F93 WeakPolarHBondContact O-CD2 3Å; F93-D98 HydrophobicContact CD1-CB 3.85Å; F93-D98 HydrophobicContact CE1-CB 4.4Å; F93-I99 HydrophobicContact CB-CD1 4.05Å; F93-I99 HydrophobicContact CB-CG1 3.57Å; F93-I99 HydrophobicContact CD1-CG1 4.2Å; F93-I99 HydrophobicContact CG-CG1 4.12Å; F93-E102 HydrophobicContact CE1-CB 3.91Å; F93-E102 HydrophobicContact CE1-CG 4.18Å; F93-E102 HydrophobicContact CZ-CB 4.2Å; F93-E102 HydrophobicContact CZ-CG 3.94Å
94T90.9Very high89.2Confident111 Ų11165.2 Ų65.268%0.68132%0.316SS*.  trans-96.1-20.7177.950.70000113.1
95D91Very high89.2Confident66 Ų6667.8 Ų67.835%0.35333%0.327SS..  trans-93.7124.8170.1-179.913.9000110D97 D98 I99 R101D95-D97 VanDerWaalsContact C-N 3.3Å; D95-D97 WeakPolarHBondContact OD1-CB 3.13Å; D95-D97 PolarHBondContact OD1-N 3.02Å; D95-D98 HydrophobicContact CB-CB 4.23Å; D95-D98 WeakPolarHBondContact O-CB 3.41Å; D95-D98 PolarHBondContact O-N 3.42Å; D95-I99 PolarHBondContact O-N 3.15Å; D95-R101 IonicContact OD2-NH2 3.2Å; D95-R101 PolarHBondContact OD2-NH2 2.78Å; D95-R101 VanDerWaalsContact OD2-NH2 3.1Å
96F89.7Confident89.4Confident16 Ų1668.4 Ų68.47%0.0733%0.331CS..Hα-helixtrans-75.5-19.8177.2-72.7-99000112.4V53 R55 F57 E81 D98 I99 R100 I126V53-F96 HydrophobicContact CG1-CE1 4.03Å; R55-F96 HydrophobicContact CB-CB 4.37Å; R55-F96 HydrophobicContact CB-CD1 3.66Å; R55-F96 HydrophobicContact CB-CD2 4.26Å; R55-F96 HydrophobicContact CB-CE1 3.92Å; R55-F96 HydrophobicContact CB-CG 3.84Å; R55-F96 HydrophobicContact CB-CZ 4.35Å; R55-F96 HydrophobicContact CG-CD1 3.96Å; R55-F96 HydrophobicContact CG-CD2 3.91Å; R55-F96 HydrophobicContact CG-CE1 3.82Å; R55-F96 HydrophobicContact CG-CE2 3.78Å; R55-F96 HydrophobicContact CG-CG 4Å; R55-F96 HydrophobicContact CG-CZ 3.73Å; F57-F96 HydrophobicContact CB-CB 4.1Å; F57-F96 HydrophobicContact CB-CD1 3.87Å; F57-F96 HydrophobicContact CB-CG 4.49Å; F57-F96 HydrophobicContact CG-CD1 4.38Å; E81-F96 HydrophobicContact CG-CE2 3.73Å; E81-F96 HydrophobicContact CG-CZ 3.59Å; F96-D98 VanDerWaalsContact C-N 3.35Å; F96-I99 HydrophobicContact CD1-CD1 3.86Å; F96-I99 HydrophobicContact CE1-CD1 4.19Å; F96-I99 HydrophobicContact CG-CD1 4.27Å; F96-I99 WeakPolarHBondContact O-CB 3.22Å; F96-I99 PolarHBondContact O-N 3.25Å; F96-R100 PolarHBondContact O-N 3.19Å; F96-I126 HydrophobicContact CE1-CD1 4.16Å; F96-I126 HydrophobicContact CE1-CG2 3.9Å; F96-I126 HydrophobicContact CZ-CG2 4.15Å
97D90.3Very high89.7Confident59 Ų5964.7 Ų64.732%0.31631%0.312SS..Hα-helixtrans-71.3-30.5168.8-73-23.6000111.3D95 R100 R101D95-D97 VanDerWaalsContact C-N 3.3Å; D95-D97 WeakPolarHBondContact OD1-CB 3.13Å; D95-D97 PolarHBondContact OD1-N 3.02Å; D97-R100 PolarHBondContact O-N 3.44Å; D97-R100 IonicContact OD1-CZ 2.78Å; D97-R100 IonicContact OD1-NH1 2.75Å; D97-R100 PolarHBondContact OD1-NH1 2.81Å; D97-R100 IonicContact OD1-NH2 2.68Å; D97-R100 PolarHBondContact OD1-NH2 2.84Å; D97-R101 WeakPolarHBondContact O-CG 3.26Å; D97-R101 PolarHBondContact O-N 2.81Å; D97-R101 PolarHBondContact O-NE 3.32Å
98D93Very high90Very high67 Ų6764.3 Ų64.336%0.35831%0.312SS..Hα-helixtrans-68.3-37169.1-85.6-27.8000111.9F93 D95 F96 R100 R101 E102F93-D98 HydrophobicContact CD1-CB 3.85Å; F93-D98 HydrophobicContact CE1-CB 4.4Å; D95-D98 HydrophobicContact CB-CB 4.23Å; D95-D98 WeakPolarHBondContact O-CB 3.41Å; D95-D98 PolarHBondContact O-N 3.42Å; F96-D98 VanDerWaalsContact C-N 3.35Å; D98-R100 VanDerWaalsContact C-N 3.34Å; D98-R101 VanDerWaalsContact CG-NH2 3.31Å; D98-R101 PolarHBondContact O-N 3Å; D98-R101 IonicContact OD1-CZ 3.23Å; D98-R101 VanDerWaalsContact OD1-CZ 3.29Å; D98-R101 IonicContact OD1-NE 3.68Å; D98-R101 PolarHBondContact OD1-NE 3.48Å; D98-R101 VanDerWaalsContact OD1-NE 3.08Å; D98-R101 IonicContact OD1-NH2 2.68Å; D98-R101 PolarHBondContact OD1-NH2 3.04Å; D98-E102 WeakPolarHBondContact O-CB 3.41Å; D98-E102 PolarHBondContact O-N 2.96Å
99I93.7Very high90.2Very high0 Ų069.8 Ų69.80%033%0.33CS..Hα-helixtrans-60.9-45.2173.2-64.2176000109.9F57 F85 F93 D95 F96 E102 I103 L124F57-I99 HydrophobicContact CB-CG2 4.22Å; F57-I99 HydrophobicContact CD2-CG2 4.16Å; F85-I99 HydrophobicContact CE2-CG1 4.48Å; F85-I99 HydrophobicContact CE2-CG2 4.2Å; F85-I99 HydrophobicContact CZ-CG2 3.81Å; F93-I99 HydrophobicContact CB-CD1 4.05Å; F93-I99 HydrophobicContact CB-CG1 3.57Å; F93-I99 HydrophobicContact CD1-CG1 4.2Å; F93-I99 HydrophobicContact CG-CG1 4.12Å; D95-I99 PolarHBondContact O-N 3.15Å; F96-I99 HydrophobicContact CD1-CD1 3.86Å; F96-I99 HydrophobicContact CE1-CD1 4.19Å; F96-I99 HydrophobicContact CG-CD1 4.27Å; F96-I99 WeakPolarHBondContact O-CB 3.22Å; F96-I99 PolarHBondContact O-N 3.25Å; I99-E102 PolarHBondContact O-N 3.04Å; I99-I103 HydrophobicContact CG2-CD1 4.09Å; I99-I103 WeakPolarHBondContact O-CG1 3.41Å; I99-I103 PolarHBondContact O-N 3.15Å; I99-L124 HydrophobicContact CG2-CD1 4.19Å; I99-L124 HydrophobicContact CG2-CD2 3.59Å
100R92.7Very high90.8Very high49 Ų4965.2 Ų65.219%0.18531%0.313CS..Hα-helixtrans-58.9-50175.6-166.6-176.6-50.5107.716.8111.8D56 F57 L58 P59 F96 D97 D98 E102 I103 E104D56-R100 VanDerWaalsContact C-NH2 3.31Å; D56-R100 PolarHBondContact O-NH2 3.45Å; F57-R100 VanDerWaalsContact O-CA 3.26Å; F57-R100 WeakPolarHBondContact O-CA 3.49Å; F57-R100 WeakPolarHBondContact O-CB 3.36Å; L58-R100 WeakPolarHBondContact O-CD 3.35Å; L58-R100 WeakPolarHBondContact O-CG 3.11Å; L58-R100 PolarHBondContact O-NE 2.97Å; L58-R100 VanDerWaalsContact O-NE 3.12Å; P59-R100 HydrophobicContact CG-CG 4.47Å; F96-R100 PolarHBondContact O-N 3.19Å; D97-R100 PolarHBondContact O-N 3.44Å; D97-R100 IonicContact OD1-CZ 2.78Å; D97-R100 IonicContact OD1-NH1 2.75Å; D97-R100 PolarHBondContact OD1-NH1 2.81Å; D97-R100 IonicContact OD1-NH2 2.68Å; D97-R100 PolarHBondContact OD1-NH2 2.84Å; D98-R100 VanDerWaalsContact C-N 3.34Å; R100-E102 VanDerWaalsContact C-N 3.31Å; R100-E102 PolarHBondContact O-N 3.11Å; R100-I103 PolarHBondContact O-N 3.24Å; R100-E104 WeakPolarHBondContact O-CG 3.38Å; R100-E104 PolarHBondContact O-N 3.28Å; R100-E104 VanDerWaalsContact O-N 3.07Å
101R93.1Very high91.1Very high100 Ų10058.3 Ų58.338%0.37728%0.276SS..Hα-helixtrans-58.7-40.3177.9-74.7-176.9-73-91.65.6112.2D95 D97 D98 E104 Q105D95-R101 IonicContact OD2-NH2 3.2Å; D95-R101 PolarHBondContact OD2-NH2 2.78Å; D95-R101 VanDerWaalsContact OD2-NH2 3.1Å; D97-R101 WeakPolarHBondContact O-CG 3.26Å; D97-R101 PolarHBondContact O-N 2.81Å; D97-R101 PolarHBondContact O-NE 3.32Å; D98-R101 VanDerWaalsContact CG-NH2 3.31Å; D98-R101 PolarHBondContact O-N 3Å; D98-R101 IonicContact OD1-CZ 3.23Å; D98-R101 VanDerWaalsContact OD1-CZ 3.29Å; D98-R101 IonicContact OD1-NE 3.68Å; D98-R101 PolarHBondContact OD1-NE 3.48Å; D98-R101 VanDerWaalsContact OD1-NE 3.08Å; D98-R101 IonicContact OD1-NH2 2.68Å; D98-R101 PolarHBondContact OD1-NH2 3.04Å; R101-E104 PolarHBondContact O-N 3.4Å; R101-Q105 WeakPolarHBondContact O-CB 3.48Å; R101-Q105 VanDerWaalsContact O-CG 3.22Å; R101-Q105 WeakPolarHBondContact O-CG 3.31Å; R101-Q105 PolarHBondContact O-N 2.79Å
102E94.3Very high90.8Very high17 Ų1755 Ų558%0.07927%0.271CS..Hα-helixtrans-68.9-38.8177.4-17667-133.100112F85 H87 F93 D98 I99 R100 E104 Q105 E106 R109F85-E102 HydrophobicContact CD2-CG 3.87Å; F85-E102 HydrophobicContact CE2-CB 3.77Å; F85-E102 HydrophobicContact CE2-CG 3.61Å; F85-E102 HydrophobicContact CG-CG 4.43Å; F85-E102 HydrophobicContact CZ-CB 4Å; F85-E102 HydrophobicContact CZ-CG 3.95Å; H87-E102 IonicContact CD2-OE1 2.74Å; H87-E102 IonicContact CE1-OE1 2.93Å; H87-E102 IonicContact NE2-OE1 3.82Å; H87-E102 PolarHBondContact NE2-OE1 3.31Å; F93-E102 HydrophobicContact CE1-CB 3.91Å; F93-E102 HydrophobicContact CE1-CG 4.18Å; F93-E102 HydrophobicContact CZ-CB 4.2Å; F93-E102 HydrophobicContact CZ-CG 3.94Å; D98-E102 WeakPolarHBondContact O-CB 3.41Å; D98-E102 PolarHBondContact O-N 2.96Å; I99-E102 PolarHBondContact O-N 3.04Å; R100-E102 VanDerWaalsContact C-N 3.31Å; R100-E102 PolarHBondContact O-N 3.11Å; E102-E104 VanDerWaalsContact C-N 3.34Å; E102-E104 PolarHBondContact O-N 2.82Å; E102-Q105 PolarHBondContact O-N 2.67Å; E102-E106 WeakPolarHBondContact O-CB 3.3Å; E102-E106 PolarHBondContact O-N 3.42Å; E102-R109 IonicContact OE1-NH1 2.72Å
103I92.6Very high90Very high9 Ų954.1 Ų54.15%0.04628%0.279CS..Hα-helixtrans-61.1-43.9174.3-66.1164.1000110.6F57 L58 P59 L70 F85 I99 R100 T107 I122 L124F57-I103 HydrophobicContact CD2-CD1 4.35Å; L58-I103 HydrophobicContact CD2-CD1 4.29Å; P59-I103 HydrophobicContact CG-CB 4.17Å; P59-I103 HydrophobicContact CG-CG2 3.66Å; L70-I103 HydrophobicContact CD1-CD1 4.47Å; L70-I103 HydrophobicContact CD1-CG1 4.5Å; L70-I103 HydrophobicContact CD2-CD1 4.09Å; F85-I103 HydrophobicContact CE1-CG1 3.85Å; F85-I103 HydrophobicContact CZ-CG1 3.82Å; I99-I103 HydrophobicContact CG2-CD1 4.09Å; I99-I103 WeakPolarHBondContact O-CG1 3.41Å; I99-I103 PolarHBondContact O-N 3.15Å; R100-I103 PolarHBondContact O-N 3.24Å; I103-T107 WeakPolarHBondContact O-CB 3.32Å; I103-T107 PolarHBondContact O-N 3.25Å; I103-T107 PolarHBondContact O-OG1 3.11Å; I103-I122 HydrophobicContact CG2-CD1 4.36Å; I103-L124 HydrophobicContact CD1-CD2 4.16Å
104E91.6Very high89Confident71 Ų7158.3 Ų58.333%0.33230%0.302SS..Hα-helixtrans-61.7-51.8176.5-69169.4175.100110.8P59 R100 R101 E102 E106 T107 D108P59-E104 HydrophobicContact CB-CG 3.77Å; P59-E104 WeakPolarHBondContact CB-OE1 3.35Å; P59-E104 HydrophobicContact CG-CG 3.71Å; R100-E104 WeakPolarHBondContact O-CG 3.38Å; R100-E104 PolarHBondContact O-N 3.28Å; R100-E104 VanDerWaalsContact O-N 3.07Å; R101-E104 PolarHBondContact O-N 3.4Å; E102-E104 VanDerWaalsContact C-N 3.34Å; E102-E104 PolarHBondContact O-N 2.82Å; E104-E106 PolarHBondContact O-N 3.37Å; E104-T107 WeakPolarHBondContact O-CB 3.4Å; E104-T107 PolarHBondContact O-N 3.43Å; E104-D108 PolarHBondContact O-N 3.39Å
105Q91.6Very high88.2Confident104 Ų10457.2 Ų57.249%0.48629%0.288SS..Hα-helixtrans-63.3-43.3-179.2-72.1172.437.400113.4R101 E102 T107 D108 R109R101-Q105 WeakPolarHBondContact O-CB 3.48Å; R101-Q105 VanDerWaalsContact O-CG 3.22Å; R101-Q105 WeakPolarHBondContact O-CG 3.31Å; R101-Q105 PolarHBondContact O-N 2.79Å; E102-Q105 PolarHBondContact O-N 2.67Å; Q105-T107 VanDerWaalsContact C-N 3.31Å; Q105-D108 PolarHBondContact O-N 2.96Å; Q105-R109 WeakPolarHBondContact O-CB 3.44Å; Q105-R109 PolarHBondContact O-N 3.15Å
106E91.5Very high87.6Confident20 Ų2055.1 Ų55.19%0.09328%0.281CS..Hα-helixtrans-69.6-29.3176.117455.1-154.100111.7R68 H87 E102 E104 R109 I122R68-E106 IonicContact CZ-OE1 3.57Å; R68-E106 PolarHBondContact NH1-O 3.26Å; R68-E106 IonicContact NH1-OE1 2.76Å; R68-E106 PolarHBondContact NH1-OE1 3.39Å; R68-E106 IonicContact NH2-OE1 3.3Å; H87-E106 IonicContact CD2-OE2 2.75Å; H87-E106 IonicContact NE2-OE2 2.75Å; E102-E106 WeakPolarHBondContact O-CB 3.3Å; E102-E106 PolarHBondContact O-N 3.42Å; E104-E106 PolarHBondContact O-N 3.37Å; E106-R109 WeakPolarHBondContact OE2-CD 3.37Å; E106-R109 IonicContact OE2-CZ 2.93Å; E106-R109 IonicContact OE2-NE 3.79Å; E106-R109 IonicContact OE2-NH1 3.37Å; E106-R109 PolarHBondContact OE2-NH1 3.1Å; E106-I122 HydrophobicContact CB-CD1 4.28Å; E106-I122 HydrophobicContact CG-CD1 3.88Å; E106-I122 HydrophobicContact CG-CG1 3.99Å
107T91.2Very high87.4Confident8 Ų855.7 Ų55.75%0.04929%0.285CS..Hα-helixtrans-67.8-51171.4-61.80000111.2R67 R68 I103 E104 Q105 R109 I110 T111 I122R67-T107 HydrophobicContact CB-CG2 3.75Å; R68-T107 HydrophobicContact CG-CG2 4.39Å; I103-T107 WeakPolarHBondContact O-CB 3.32Å; I103-T107 PolarHBondContact O-N 3.25Å; I103-T107 PolarHBondContact O-OG1 3.11Å; E104-T107 WeakPolarHBondContact O-CB 3.4Å; E104-T107 PolarHBondContact O-N 3.43Å; Q105-T107 VanDerWaalsContact C-N 3.31Å; T107-R109 VanDerWaalsContact C-N 3.3Å; T107-R109 PolarHBondContact O-N 3.03Å; T107-I110 PolarHBondContact O-N 2.82Å; T107-T111 HydrophobicContact CG2-CG2 4.46Å; T107-T111 PolarHBondContact O-N 2.76Å; T107-T111 PolarHBondContact O-OG1 3.42Å; T107-I122 WeakPolarHBondContact OG1-CD1 3.49Å
108D90.6Very high87.2Confident64 Ų6453.8 Ų53.834%0.34228%0.276SS..Hα-helixtrans-66.2-30.9179.1-74.8-35.1000112.6R67 E104 Q105 I110 G112R67-D108 IonicContact CZ-OD1 2.88Å; R67-D108 IonicContact NH1-OD1 2.75Å; R67-D108 PolarHBondContact NH1-OD1 3.12Å; R67-D108 IonicContact NH2-OD1 3.59Å; R67-D108 PolarHBondContact NH2-OD1 3.43Å; R67-D108 IonicContact NH2-OD2 3.83Å; E104-D108 PolarHBondContact O-N 3.39Å; Q105-D108 PolarHBondContact O-N 2.96Å; D108-I110 PolarHBondContact O-N 3.36Å; D108-G112 WeakPolarHBondContact O-CA 3.38Å; D108-G112 PolarHBondContact O-N 3.09Å
109R90.4Very high86.9Confident140 Ų14054.6 Ų54.653%0.52828%0.28SS..Hα-helixtrans-58.1-32.1174.7-176179.4-65.2136.21.4113.3E102 Q105 E106 T107E102-R109 IonicContact OE1-NH1 2.72Å; Q105-R109 WeakPolarHBondContact O-CB 3.44Å; Q105-R109 PolarHBondContact O-N 3.15Å; E106-R109 WeakPolarHBondContact OE2-CD 3.37Å; E106-R109 IonicContact OE2-CZ 2.93Å; E106-R109 IonicContact OE2-NE 3.79Å; E106-R109 IonicContact OE2-NH1 3.37Å; E106-R109 PolarHBondContact OE2-NH1 3.1Å; T107-R109 VanDerWaalsContact C-N 3.3Å; T107-R109 PolarHBondContact O-N 3.03Å
110I87.8Confident86.5Confident81 Ų8158.9 Ų58.942%0.41530%0.303SS..Hα-helixtrans-104.6-40.8-178.3-61.7-57.2000112.6R68 T107 D108R68-I110 VanDerWaalsContact NH1-CG1 3.26Å; T107-I110 PolarHBondContact O-N 2.82Å; D108-I110 PolarHBondContact O-N 3.36Å
111T85.3Confident86.2Confident22 Ų2258.6 Ų58.614%0.13531%0.307CS..Hα-helixtrans-90.7-11.5-176.461.90000114R67 R68 T107 G116R67-T111 PolarHBondContact NH1-OG1 2.86Å; R68-T111 HydrophobicContact CG-CG2 4Å; T107-T111 HydrophobicContact CG2-CG2 4.46Å; T107-T111 PolarHBondContact O-N 2.76Å; T107-T111 PolarHBondContact O-OG1 3.42Å; T111-G116 WeakPolarHBondContact CB-O 3.29Å
112G81.4Confident86Confident31 Ų3154 Ų5432%0.3229%0.29SS..THydrogen-bonded Turntrans66.1177.6-165.700000112.7R67 D108 N114R67-G112 PolarHBondContact NH1-O 3.02Å; D108-G112 WeakPolarHBondContact O-CA 3.38Å; D108-G112 PolarHBondContact O-N 3.09Å; G112-N114 PolarHBondContact O-N 3.43Å
113S75.5Confident85.7Confident95 Ų9555.2 Ų55.266%0.66430%0.297SS*.THydrogen-bonded Turntrans-69.9-14.4175.146.90000114.2K115S113-K115 PolarHBondContact O-N 2.78Å
114N71.9Confident85.6Confident94 Ų9454.8 Ų54.850%0.50330%0.295SS..THydrogen-bonded Turntrans-84.731.3-163.9-60.69.4000113.4G112 G116 D149G112-N114 PolarHBondContact O-N 3.43Å; N114-G116 PolarHBondContact O-N 3.06Å; N114-D149 HydrophobicContact CB-CB 4.32Å
115K72.6Confident85.4Confident89 Ų8955.7 Ų55.739%0.38730%0.295SS..THydrogen-bonded Turntrans54.818.3179.1-54.9179.4-177.6175.10116S113 Q150S113-K115 PolarHBondContact O-N 2.78Å; K115-Q150 HydrophobicContact CB-CG 3.97Å
116G78.8Confident85.3Confident21 Ų2150.7 Ų50.722%0.21627%0.272CS..  trans-63.4162.9173.800000112.1R67 T111 N114R67-G116 WeakPolarHBondContact CD-O 3.49Å; T111-G116 WeakPolarHBondContact CB-O 3.29Å; N114-G116 PolarHBondContact O-N 3.06Å
117I86.3Confident85.1Confident28 Ų2851.1 Ų51.114%0.14427%0.273CS..  trans-117.9158.7175.657.4159.2000110.6R67 I154 Q157 I158 M161R67-I117 HydrophobicContact CB-CG2 4.27Å; R67-I117 HydrophobicContact CG-CG2 4.43Å; R67-I117 VanDerWaalsContact O-CA 3.27Å; R67-I117 WeakPolarHBondContact O-CA 3.35Å; R67-I117 WeakPolarHBondContact O-CB 3.39Å; I117-I154 HydrophobicContact CD1-CD1 3.79Å; I117-I154 HydrophobicContact CG1-CD1 3.77Å; I117-I154 HydrophobicContact CG2-CD1 4.06Å; I117-Q157 HydrophobicContact CD1-CB 3.59Å; I117-I158 HydrophobicContact CD1-CG1 3.72Å; I117-M161 HydrophobicContact CB-CE 4.1Å; I117-M161 HydrophobicContact CD1-CE 3.72Å; I117-M161 HydrophobicContact CG1-CE 4.27Å
118S86.2Confident84.7Confident20 Ų2050.7 Ų50.714%0.1427%0.271CS..  trans-144.6139173.4175.80000110.3R67 R68 P69 I120 M161R67-S118 PolarHBondContact O-N 2.75Å; R67-S118 VanDerWaalsContact O-N 3.12Å; R68-S118 WeakPolarHBondContact CA-O 3.46Å; P69-S118 VanDerWaalsContact CD-O 3.23Å; P69-S118 WeakPolarHBondContact CD-O 3.43Å; S118-I120 PolarHBondContact O-N 3.18Å; S118-I120 PolarHBondContact OG-N 3.41Å; S118-M161 VanDerWaalsContact C-CE 3.45Å; S118-M161 WeakPolarHBondContact O-CE 3.49Å
119N85Confident84.2Confident83 Ų8350.6 Ų50.644%0.44427%0.274SS..SBendtrans-76-8.7176.665.1-31.2000113.2P121 M161N119-P121 VanDerWaalsContact O-CD 3.26Å; N119-P121 WeakPolarHBondContact O-CD 3.44Å; N119-M161 HydrophobicContact CB-CE 4.28Å; N119-M161 HydrophobicContact CB-CG 4.23Å
120I86.2Confident83.3Confident91 Ų9148.1 Ų48.147%0.46728%0.278SS..SBendtrans-69.5113.5177.9-56.2175000109.1R68 S118R68-I120 PolarHBondContact NE-O 2.54Å; R68-I120 PolarHBondContact NH2-O 2.82Å; S118-I120 PolarHBondContact O-N 3.18Å; S118-I120 PolarHBondContact OG-N 3.41Å
121P86.4Confident82.6Confident42 Ų4244.4 Ų44.427%0.27326%0.259SS..  trans-70.9151.8-17428.9-35.2000112.6R68 P69 I71 N119R68-P121 PolarHBondContact NH2-O 2.8Å; P69-P121 HydrophobicContact CB-CB 4.2Å; P69-P121 CarbonylContact O-C 3.48Å; P69-P121 WeakPolarHBondContact O-CA 3.41Å; I71-P121 HydrophobicContact CD1-CB 3.64Å; I71-P121 HydrophobicContact CD1-CG 3.92Å; I71-P121 HydrophobicContact CG1-CB 3.91Å; N119-P121 VanDerWaalsContact O-CD 3.26Å; N119-P121 WeakPolarHBondContact O-CD 3.44Å
122I89.1Confident81.9Confident5 Ų544.8 Ų44.83%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-92.1131.8161.5-59.3177000107R68 P69 L70 I71 F85 I103 E106 T107R68-I122 HydrophobicContact CB-CD1 4.46Å; R68-I122 HydrophobicContact CB-CG1 4.44Å; P69-I122 PolarHBondContact O-N 3.37Å; L70-I122 HydrophobicContact CD1-CB 3.78Å; L70-I122 HydrophobicContact CD1-CG2 3.71Å; I71-I122 PolarHBondContact N-O 3.14Å; F85-I122 HydrophobicContact CD1-CG2 3.98Å; F85-I122 HydrophobicContact CE1-CG2 3.95Å; I103-I122 HydrophobicContact CG2-CD1 4.36Å; E106-I122 HydrophobicContact CB-CD1 4.28Å; E106-I122 HydrophobicContact CG-CD1 3.88Å; E106-I122 HydrophobicContact CG-CG1 3.99Å; T107-I122 WeakPolarHBondContact OG1-CD1 3.49Å
123N88.7Confident81.4Confident41 Ų4144 Ų4422%0.21925%0.249CC..EExtended strand (participates in β ladder)trans-110.5115.8179.7-73.2-89.8000110F85 I86F85-N123 WeakPolarHBondContact CA-O 3.4Å; I86-N123 HydrophobicContact CB-CB 4.06Å; I86-N123 HydrophobicContact CD1-CB 3.41Å; I86-N123 VanDerWaalsContact CD1-CB 3.41Å; I86-N123 HydrophobicContact CG1-CB 3.61Å; I86-N123 PolarHBondContact N-O 3.05Å
124L89.4Confident81.4Confident1 Ų139.8 Ų39.81%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-123.2123.5-178.7171.558.7000109.6F57 L70 I71 L72 Q73 F85 I99 I103 I126F57-L124 HydrophobicContact CD2-CD2 4.09Å; F57-L124 HydrophobicContact CE2-CD2 4.1Å; L70-L124 HydrophobicContact CD1-CB 4.14Å; I71-L124 PolarHBondContact O-N 2.84Å; L72-L124 WeakPolarHBondContact CA-O 3.33Å; L72-L124 HydrophobicContact CD1-CD2 4.06Å; L72-L124 HydrophobicContact CD1-CG 4.11Å; Q73-L124 PolarHBondContact N-O 2.88Å; F85-L124 HydrophobicContact CD1-CB 4.03Å; F85-L124 HydrophobicContact CD1-CD1 4.05Å; F85-L124 HydrophobicContact CD2-CD1 4.24Å; F85-L124 HydrophobicContact CE1-CB 3.89Å; F85-L124 HydrophobicContact CE1-CD1 3.84Å; F85-L124 HydrophobicContact CE1-CD2 4.19Å; F85-L124 HydrophobicContact CE1-CG 4.18Å; F85-L124 HydrophobicContact CE2-CD1 4.03Å; F85-L124 HydrophobicContact CG-CD1 4.26Å; F85-L124 HydrophobicContact CZ-CD1 3.84Å; F85-L124 HydrophobicContact CZ-CD2 4.26Å; F85-L124 HydrophobicContact CZ-CG 4.47Å; I99-L124 HydrophobicContact CG2-CD1 4.19Å; I99-L124 HydrophobicContact CG2-CD2 3.59Å; I103-L124 HydrophobicContact CD1-CD2 4.16Å; L124-I126 HydrophobicContact CD1-CG1 4.2Å; L124-I126 HydrophobicContact CD2-CD1 4.07Å; L124-I126 HydrophobicContact CD2-CG1 4.19Å; L124-I126 HydrophobicContact CG-CD1 4.38Å; L124-I126 HydrophobicContact CG-CG1 3.94Å
125R87.6Confident81.7Confident89 Ų8936.6 Ų36.634%0.33620%0.203SC..EExtended strand (participates in β ladder)trans-96.1134166.8-72.7171-176.7167.45109.2Q73 G83 E84Q73-R125 HydrophobicContact CB-CG 3.8Å; Q73-R125 CarbonylContact O-C 3.55Å; Q73-R125 VanDerWaalsContact O-CA 3.29Å; Q73-R125 WeakPolarHBondContact O-CA 3.23Å; G83-R125 CarbonylContact C-O 3.5Å; G83-R125 WeakPolarHBondContact CA-O 3.1Å; E84-R125 PolarHBondContact N-O 3.47Å; E84-R125 PolarHBondContact O-N 2.86Å
126I88.5Confident82.4Confident0 Ų032.4 Ų32.40%018%0.184CC..EExtended strand (participates in β ladder)trans-122.3115.6170.8-56.2-174.5000108.2V53 F57 L72 Q73 L74 V75 F96 L124V53-I126 HydrophobicContact CG1-CD1 4.11Å; V53-I126 HydrophobicContact CG1-CG2 4.19Å; V53-I126 HydrophobicContact CG2-CD1 4.31Å; F57-I126 HydrophobicContact CD2-CD1 4.12Å; F57-I126 HydrophobicContact CE1-CD1 4.43Å; F57-I126 HydrophobicContact CE2-CD1 3.98Å; F57-I126 HydrophobicContact CG-CD1 4.4Å; F57-I126 HydrophobicContact CZ-CD1 4.17Å; L72-I126 HydrophobicContact CD1-CD1 3.57Å; L72-I126 HydrophobicContact CD1-CG1 3.79Å; Q73-I126 PolarHBondContact O-N 2.84Å; L74-I126 HydrophobicContact CD2-CB 3.99Å; L74-I126 HydrophobicContact CD2-CD1 4.47Å; L74-I126 HydrophobicContact CD2-CG1 4.49Å; V75-I126 PolarHBondContact N-O 2.93Å; F96-I126 HydrophobicContact CE1-CD1 4.16Å; F96-I126 HydrophobicContact CE1-CG2 3.9Å; F96-I126 HydrophobicContact CZ-CG2 4.15Å; L124-I126 HydrophobicContact CD1-CG1 4.2Å; L124-I126 HydrophobicContact CD2-CD1 4.07Å; L124-I126 HydrophobicContact CD2-CG1 4.19Å; L124-I126 HydrophobicContact CG-CD1 4.38Å; L124-I126 HydrophobicContact CG-CG1 3.94Å
127H87.3Confident82.9Confident28 Ų2831.4 Ų31.413%0.1317%0.174CC..EExtended strand (participates in β ladder)trans-87.1125.9168.9-66.5-101.9000107.8V75 D77 E81 Y82V75-H127 WeakPolarHBondContact O-CA 3.38Å; D77-H127 HydrophobicContact CB-CB 3.97Å; D77-H127 IonicContact OD2-ND1 3.02Å; E81-H127 CarbonylContact C-O 3.56Å; E81-H127 VanDerWaalsContact CA-O 3.25Å; E81-H127 WeakPolarHBondContact CA-O 3.47Å; Y82-H127 HydrophobicContact CD1-CB 3.76Å; Y82-H127 HydrophobicContact CE1-CB 3.48Å; Y82-H127 VanDerWaalsContact CE1-CB 3.48Å; Y82-H127 AromaticContact CE1-CG 3.68Å; Y82-H127 HydrophobicContact CE2-CB 4.29Å; Y82-H127 AromaticContact CE2-CD2 3.5Å; Y82-H127 AromaticContact CE2-CG 3.89Å; Y82-H127 HydrophobicContact CG-CB 4.3Å; Y82-H127 AromaticContact CZ-CD2 3.52Å; Y82-H127 AromaticContact CZ-CG 3.43Å; Y82-H127 VanDerWaalsContact CZ-CG 3.43Å; Y82-H127 AromaticContact CZ-ND1 3.88Å; Y82-H127 PolarHBondContact N-O 2.93Å; Y82-H127 PolarHBondContact O-N 2.87Å
128S83.9Confident83.2Confident0 Ų030.2 Ų30.20%017%0.168CC..EExtended strand (participates in β ladder)trans-157.9147.8176.2176.50000111.2V75 H76 D77 E81 S130 V131V75-S128 PolarHBondContact O-N 3.04Å; H76-S128 WeakPolarHBondContact CA-O 3.24Å; D77-S128 PolarHBondContact N-O 2.9Å; D77-S128 VanDerWaalsContact N-O 3.09Å; D77-S128 CarbonylContact O-C 3.56Å; E81-S128 WeakPolarHBondContact OE1-CB 3.43Å; E81-S128 PolarHBondContact OE1-OG 3.41Å; S128-S130 PolarHBondContact O-N 2.82Å; S128-S130 PolarHBondContact OG-N 2.87Å; S128-V131 WeakPolarHBondContact O-CG2 3.5Å
129P80.3Confident83.5Confident62 Ų6229.2 Ų29.240%0.40316%0.161SC..THydrogen-bonded Turntrans-72.3-18.8172.629-35.7000112.7H76 D77H76-P129 PolarHBondContact CE1-O 3.46Å; H76-P129 PolarHBondContact ND1-O 3.49Å; D77-P129 WeakPolarHBondContact O-CA 3.38Å; D77-P129 WeakPolarHBondContact O-CB 3.32Å; D77-P129 WeakPolarHBondContact O-CD 3.46Å
130S71.1Confident83.7Confident87 Ų8725.3 Ų25.361%0.60814%0.14SC*.THydrogen-bonded Turntrans-84.6-16.1-175.6-56.60000113.5S128S128-S130 PolarHBondContact O-N 2.82Å; S128-S130 PolarHBondContact OG-N 2.87Å
131V74.2Confident83.9Confident3 Ų321.3 Ų21.32%0.01812%0.122CC..  trans-100.4160.2-174-560000112.8L74 V75 H76 S128L74-V131 HydrophobicContact CB-CB 4.1Å; L74-V131 HydrophobicContact CB-CG2 3.96Å; L74-V131 HydrophobicContact CD1-CB 4.19Å; L74-V131 HydrophobicContact CD1-CG1 4.19Å; L74-V131 HydrophobicContact CD2-CG1 4.49Å; V75-V131 WeakPolarHBondContact O-CG2 3.4Å; H76-V131 WeakPolarHBondContact CB-O 3.26Å; H76-V131 PolarHBondContact ND1-O 3.01Å; S128-V131 WeakPolarHBondContact O-CG2 3.5Å
132L70.2Confident83.9Confident31 Ų3119.9 Ų19.916%0.16211%0.111CC..  trans-98153.4169-58.7173.6000109.2Y2 L74 L134 N284Y2-L132 WeakPolarHBondContact O-CD2 3.38Å; L74-L132 WeakPolarHBondContact CB-O 3.41Å; L132-L134 HydrophobicContact CB-CD1 4.09Å; L132-L134 HydrophobicContact CB-CG 4.04Å; L132-L134 PolarHBondContact O-N 2.9Å; L132-N284 HydrophobicContact CD1-CB 3.68Å
133N69.9Low83.7Confident14 Ų1420.1 Ų20.18%0.07511%0.113CC..SBendtrans-65.997.7175.6-63.9-51.7000110.5E8 L74 V75 H76E8-N133 WeakPolarHBondContact CG-ND2 3.38Å; E8-N133 PolarHBondContact OE1-ND2 3.2Å; L74-N133 WeakPolarHBondContact O-CA 3.31Å; V75-N133 WeakPolarHBondContact CA-OD1 3.23Å; H76-N133 PolarHBondContact N-OD1 3.41Å
134L75.1Confident83.4Confident6 Ų623.8 Ų23.83%0.03113%0.127CC..EExtended strand (participates in β ladder)trans-142.1140.9-171.7-65.4176.5000110.6F52 L74 L132 N284 L287F52-L134 HydrophobicContact CD1-CD1 4.23Å; F52-L134 HydrophobicContact CE1-CD1 4.17Å; L74-L134 HydrophobicContact CB-CB 4.45Å; L74-L134 PolarHBondContact N-O 3.12Å; L74-L134 PolarHBondContact O-N 3.24Å; L74-L134 VanDerWaalsContact O-N 3.13Å; L132-L134 HydrophobicContact CB-CD1 4.09Å; L132-L134 HydrophobicContact CB-CG 4.04Å; L132-L134 PolarHBondContact O-N 2.9Å; L134-N284 HydrophobicContact CD2-CB 4.22Å; L134-L287 HydrophobicContact CD2-CD2 3.53Å
135T78.4Confident83Confident28 Ų2828.6 Ų28.617%0.17216%0.156CC..EExtended strand (participates in β ladder)trans-107.1113.2166.5-57.60000109.4Q34 I35 I71 L72 Q73Q34-T135 HydrophobicContact CG-CG2 4.15Å; I35-T135 PolarHBondContact N-O 3.45Å; I35-T135 VanDerWaalsContact N-O 3.11Å; I71-T135 HydrophobicContact CG2-CG2 3.98Å; L72-T135 WeakPolarHBondContact O-CA 3.31Å; Q73-T135 HydrophobicContact CG-CG2 4.17Å
136L87.2Confident82.7Confident1 Ų127 Ų271%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-108.6144.9178.8-64.9157.7000108.5I35 L49 F52 L72 L74I35-L136 HydrophobicContact CB-CD2 4Å; I35-L136 HydrophobicContact CD1-CD2 4.24Å; I35-L136 HydrophobicContact CG2-CD2 3.92Å; I35-L136 CarbonylContact O-C 3.58Å; I35-L136 WeakPolarHBondContact O-CA 3.06Å; L49-L136 HydrophobicContact CD2-CB 3.84Å; L49-L136 HydrophobicContact CD2-CD1 3.81Å; L49-L136 HydrophobicContact CD2-CD2 4.16Å; L49-L136 HydrophobicContact CD2-CG 4.15Å; F52-L136 HydrophobicContact CB-CD1 4.47Å; F52-L136 HydrophobicContact CD1-CD1 4.13Å; L72-L136 HydrophobicContact CB-CB 4.32Å; L72-L136 HydrophobicContact CD2-CB 4.46Å; L72-L136 HydrophobicContact CD2-CD1 4.28Å; L72-L136 PolarHBondContact N-O 2.83Å; L72-L136 PolarHBondContact O-N 3.46Å; L74-L136 HydrophobicContact CD1-CD1 3.69Å; L74-L136 HydrophobicContact CG-CD1 4.28Å
137I90.2Very high82.1Confident0 Ų029.9 Ų29.90%017%0.174CC..EExtended strand (participates in β ladder)trans-123.7110.3176.8-51.6-177.4000108.3Q34 I35 V37 P69 L70 I71 L139 F165Q34-I137 HydrophobicContact CB-CD1 4.06Å; Q34-I137 HydrophobicContact CG-CD1 4.31Å; Q34-I137 VanDerWaalsContact OE1-CD1 3.3Å; I35-I137 PolarHBondContact O-N 3.38Å; V37-I137 PolarHBondContact N-O 2.99Å; P69-I137 HydrophobicContact CB-CG2 4.48Å; L70-I137 WeakPolarHBondContact O-CA 3.28Å; I71-I137 HydrophobicContact CG1-CD1 4.47Å; I71-I137 HydrophobicContact CG1-CG1 4.37Å; I71-I137 HydrophobicContact CG1-CG2 4.45Å; I137-L139 HydrophobicContact CG2-CD2 3.77Å; I137-L139 HydrophobicContact CG2-CG 4.09Å; I137-F165 HydrophobicContact CD1-CD1 3.6Å; I137-F165 HydrophobicContact CD1-CE1 3.97Å; I137-F165 HydrophobicContact CG2-CD1 4.28Å; I137-F165 HydrophobicContact CG2-CE1 4.27Å
138D92.6Very high81.6Confident2 Ų231.4 Ų31.41%0.01120%0.198CC..EExtended strand (participates in β ladder)trans-79.2125.8168.3-162.834.3000108.6L49 T66 P69 L70L49-D138 HydrophobicContact CD1-CB 3.47Å; L49-D138 VanDerWaalsContact CD1-CB 3.47Å; T66-D138 HydrophobicContact CG2-CB 4.4Å; T66-D138 WeakPolarHBondContact CG2-OD2 3.12Å; T66-D138 PolarHBondContact OG1-OD2 3.49Å; P69-D138 WeakPolarHBondContact CA-O 3.48Å; L70-D138 HydrophobicContact CB-CB 4.18Å; L70-D138 PolarHBondContact N-O 3.13Å; L70-D138 PolarHBondContact O-N 2.88Å
139L92.1Very high81.2Confident0 Ų037.2 Ų37.20%023%0.229CC..  trans-111.7151.3178.9-64.4171.4000110A36 V38 K45 P69 I137 G141 I162 F165A36-L139 HydrophobicContact CB-CD1 3.99Å; V38-L139 HydrophobicContact CG2-CD1 4.2Å; K45-L139 WeakPolarHBondContact CE-O 3.47Å; P69-L139 HydrophobicContact CB-CD2 3.98Å; P69-L139 HydrophobicContact CG-CD2 4.25Å; I137-L139 HydrophobicContact CG2-CD2 3.77Å; I137-L139 HydrophobicContact CG2-CG 4.09Å; L139-G141 PolarHBondContact O-N 2.99Å; L139-I162 HydrophobicContact CB-CG1 4.14Å; L139-I162 HydrophobicContact CD1-CB 4.33Å; L139-I162 HydrophobicContact CD1-CG1 4.15Å; L139-I162 HydrophobicContact CD1-CG2 4.04Å; L139-F165 HydrophobicContact CD1-CB 4.43Å; L139-F165 HydrophobicContact CD1-CD2 4.44Å; L139-F165 HydrophobicContact CD2-CD2 3.54Å; L139-F165 HydrophobicContact CD2-CE2 3.74Å; L139-F165 HydrophobicContact CD2-CG 4.21Å
140P89.9Confident81Confident1 Ų134.9 Ų34.91%0.00621%0.213CC..PPolyproline II helixtrans-51.6141.7175.1-28.837000112.6T66 I158 M161T66-P140 WeakPolarHBondContact O-CA 3.33Å; T66-P140 VanDerWaalsContact O-CB 3.24Å; T66-P140 WeakPolarHBondContact O-CB 3.5Å; T66-P140 WeakPolarHBondContact O-CG 3.35Å; P140-I158 HydrophobicContact CB-CG1 4.29Å; P140-I158 HydrophobicContact CB-CG2 4.16Å; P140-M161 HydrophobicContact CG-SD 3.62Å
141G89Confident81.4Confident7 Ų732.7 Ų32.77%0.07220%0.196CC..PPolyproline II helixtrans-71.3132.417700000111.8G39 L139 T143G39-G141 WeakPolarHBondContact O-CA 3.21Å; L139-G141 PolarHBondContact O-N 2.99Å; G141-T143 PolarHBondContact O-N 3.25Å
142M88.3Confident81.9Confident12 Ų1238.4 Ų38.46%0.05923%0.234CC..BIsolated β-bridgetrans-59.2135.1174.2-68.4-178.866.400110.9G39 Q41 I158 I162 D187 L191G39-M142 PolarHBondContact O-N 3.06Å; Q41-M142 PolarHBondContact N-O 3.47Å; M142-I158 HydrophobicContact CG-CG2 4.32Å; M142-I162 HydrophobicContact CG-CD1 3.77Å; M142-I162 HydrophobicContact SD-CD1 4.35Å; M142-D187 HydrophobicContact CE-CB 3.81Å; M142-D187 HydrophobicContact SD-CB 3.78Å; M142-L191 HydrophobicContact SD-CD2 4.12Å
143T85.1Confident82.8Confident9 Ų940.2 Ų40.26%0.05524%0.244CC..  trans-131.5139.217854.60000109.6Q41 I64 G141 E155Q41-T143 HydrophobicContact CB-CG2 4.07Å; Q41-T143 HydrophobicContact CG-CG2 4.47Å; I64-T143 HydrophobicContact CD1-CG2 3.63Å; I64-T143 HydrophobicContact CG1-CG2 3.75Å; G141-T143 PolarHBondContact O-N 3.25Å; T143-E155 WeakPolarHBondContact O-CB 3.49Å; T143-E155 WeakPolarHBondContact O-CG 3.27Å
144K80.5Confident83.6Confident119 Ų11939.7 Ų39.752%0.51724%0.241SC..SBendtrans-98.5-9.9-178.2-66.8176176.1165.40114.4D187K144-D187 VanDerWaalsContact CE-CG 3.41Å; K144-D187 WeakPolarHBondContact CE-OD1 3.38Å; K144-D187 WeakPolarHBondContact CE-OD2 3.33Å; K144-D187 IonicContact NZ-OD1 3.8Å; K144-D187 PolarHBondContact NZ-OD1 2.84Å; K144-D187 IonicContact NZ-OD2 2.87Å; K144-D187 PolarHBondContact NZ-OD2 2.88Å
145V82.5Confident84.2Confident101 Ų10142.8 Ų42.861%0.61226%0.255SS*.SBendtrans-139.1126-177.6-175.40000108.2
146P80.3Confident84.8Confident55 Ų5545 Ų4536%0.35727%0.269SS..  trans-66.1139175.127.5-34.7000111.2Q150 I154P146-Q150 HydrophobicContact CB-CB 4.04Å; P146-I154 HydrophobicContact CB-CG2 3.78Å
147V76.5Confident84.9Confident61 Ų6148.1 Ų48.137%0.3728%0.283SS..  trans-129.2119.8-177.6-71.60000113.7
148G76.1Confident84.9Confident61 Ų6148.1 Ų48.163%0.62928%0.283SS*.SBendtrans76.7-139-171.900000110.8Q150G148-Q150 PolarHBondContact O-N 3.1Å
149D75.1Confident84.9Confident122 Ų12251 Ų5165%0.65229%0.294SS*.SBendtrans-78.919.4-175.8-45.9-50.8000114.1N114N114-D149 HydrophobicContact CB-CB 4.32Å
150Q76.4Confident84.9Confident13 Ų1355.5 Ų55.56%0.06132%0.318CS..  trans-72.5140178.1-71.2-177.9-24.800110.8K115 P146 G148 I154K115-Q150 HydrophobicContact CB-CG 3.97Å; P146-Q150 HydrophobicContact CB-CB 4.04Å; G148-Q150 PolarHBondContact O-N 3.1Å; Q150-I154 HydrophobicContact CB-CB 4.44Å; Q150-I154 HydrophobicContact CB-CG1 4.4Å
151P80.9Confident84.9Confident40 Ų4055.9 Ų55.926%0.2632%0.32SS..  trans-69.1153.5-179.333.6-38.3000110.7D153 I154P151-D153 WeakPolarHBondContact CB-OD1 3.43Å; P151-D153 PolarHBondContact O-N 3.11Å; P151-D153 VanDerWaalsContact O-N 3.12Å; P151-I154 HydrophobicContact CG-CB 4.37Å; P151-I154 WeakPolarHBondContact O-CB 3.47Å; P151-I154 WeakPolarHBondContact O-CG2 3.24Å; P151-I154 PolarHBondContact O-N 2.89Å
152P84.6Confident85.1Confident123 Ų12355.5 Ų55.580%0.79932%0.316SS*.THydrogen-bonded Turntrans-63.8-20.5-17426-35.1000113.9
153D88.4Confident85.3Confident70 Ų7056 Ų5637%0.37432%0.318SS..THydrogen-bonded Turntrans-96.615.7177.766.9-45.9000113.6P151 E155 T156 Q157P151-D153 WeakPolarHBondContact CB-OD1 3.43Å; P151-D153 PolarHBondContact O-N 3.11Å; P151-D153 VanDerWaalsContact O-N 3.12Å; D153-E155 PolarHBondContact O-N 3.27Å; D153-E155 VanDerWaalsContact O-N 3.13Å; D153-T156 WeakPolarHBondContact O-CA 3.49Å; D153-T156 WeakPolarHBondContact O-CB 3.45Å; D153-T156 PolarHBondContact O-N 3.47Å; D153-Q157 PolarHBondContact O-N 2.7Å; D153-Q157 PolarHBondContact OD1-NE2 3.07Å; D153-Q157 VanDerWaalsContact OD1-NE2 3.12Å; D153-Q157 WeakPolarHBondContact OD2-CG 3.47Å; D153-Q157 PolarHBondContact OD2-NE2 2.83Å
154I86.2Confident85.5Confident2 Ų259.7 Ų59.71%0.0134%0.335CS..Hα-helixtrans-52.7-35.8-178.5-172.360.2000113.6I64 I117 P146 Q150 P151 Q157 I158I64-I154 HydrophobicContact CD1-CG1 4.3Å; I117-I154 HydrophobicContact CD1-CD1 3.79Å; I117-I154 HydrophobicContact CG1-CD1 3.77Å; I117-I154 HydrophobicContact CG2-CD1 4.06Å; P146-I154 HydrophobicContact CB-CG2 3.78Å; Q150-I154 HydrophobicContact CB-CB 4.44Å; Q150-I154 HydrophobicContact CB-CG1 4.4Å; P151-I154 HydrophobicContact CG-CB 4.37Å; P151-I154 WeakPolarHBondContact O-CB 3.47Å; P151-I154 WeakPolarHBondContact O-CG2 3.24Å; P151-I154 PolarHBondContact O-N 2.89Å; I154-Q157 PolarHBondContact O-N 3.04Å; I154-I158 HydrophobicContact CD1-CD1 4.07Å; I154-I158 HydrophobicContact CD1-CG1 4.22Å; I154-I158 HydrophobicContact CG1-CD1 3.84Å; I154-I158 HydrophobicContact CG1-CG1 4.42Å; I154-I158 WeakPolarHBondContact O-CB 3.24Å; I154-I158 VanDerWaalsContact O-CG1 3.3Å; I154-I158 WeakPolarHBondContact O-CG1 2.95Å; I154-I158 PolarHBondContact O-N 3.02Å
155E88.8Confident85.9Confident72 Ų7254.7 Ų54.734%0.33631%0.313SS..Hα-helixtrans-60.3-48.1174.5-176176.6166.900111.1T143 D153 I158 R159T143-E155 WeakPolarHBondContact O-CB 3.49Å; T143-E155 WeakPolarHBondContact O-CG 3.27Å; D153-E155 PolarHBondContact O-N 3.27Å; D153-E155 VanDerWaalsContact O-N 3.13Å; E155-I158 PolarHBondContact O-N 2.73Å; E155-R159 VanDerWaalsContact O-CB 3.27Å; E155-R159 WeakPolarHBondContact O-CB 3.47Å; E155-R159 PolarHBondContact O-N 3.49Å
156T90.2Very high86.3Confident74 Ų7449.9 Ų49.945%0.45428%0.284SS..Hα-helixtrans-63.3-42.8178-51.10000111.4D153 R159 N160D153-T156 WeakPolarHBondContact O-CA 3.49Å; D153-T156 WeakPolarHBondContact O-CB 3.45Å; D153-T156 PolarHBondContact O-N 3.47Å; T156-R159 PolarHBondContact O-N 3.29Å; T156-N160 WeakPolarHBondContact O-CB 3.46Å; T156-N160 PolarHBondContact O-N 2.87Å; T156-N160 PolarHBondContact O-ND2 2.81Å; T156-N160 PolarHBondContact O-OD1 3.13Å
157Q89.1Confident86.8Confident66 Ų6653.1 Ų53.131%0.30830%0.295SS..Hα-helixtrans-64.7-43.9178.4-65.1-17719.300112I117 D153 I154 M161I117-Q157 HydrophobicContact CD1-CB 3.59Å; D153-Q157 PolarHBondContact O-N 2.7Å; D153-Q157 PolarHBondContact OD1-NE2 3.07Å; D153-Q157 VanDerWaalsContact OD1-NE2 3.12Å; D153-Q157 WeakPolarHBondContact OD2-CG 3.47Å; D153-Q157 PolarHBondContact OD2-NE2 2.83Å; I154-Q157 PolarHBondContact O-N 3.04Å; Q157-M161 WeakPolarHBondContact O-CB 3.5Å; Q157-M161 PolarHBondContact O-N 3.32Å
158I91.2Very high87.2Confident1 Ų154.2 Ų54.21%0.00529%0.292CS..Hα-helixtrans-64.5-43.5175.1-69.4168.4000110.7I64 I117 P140 M142 I154 E155 M161 I162I64-I158 HydrophobicContact CD1-CD1 3.55Å; I117-I158 HydrophobicContact CD1-CG1 3.72Å; P140-I158 HydrophobicContact CB-CG1 4.29Å; P140-I158 HydrophobicContact CB-CG2 4.16Å; M142-I158 HydrophobicContact CG-CG2 4.32Å; I154-I158 HydrophobicContact CD1-CD1 4.07Å; I154-I158 HydrophobicContact CD1-CG1 4.22Å; I154-I158 HydrophobicContact CG1-CD1 3.84Å; I154-I158 HydrophobicContact CG1-CG1 4.42Å; I154-I158 WeakPolarHBondContact O-CB 3.24Å; I154-I158 VanDerWaalsContact O-CG1 3.3Å; I154-I158 WeakPolarHBondContact O-CG1 2.95Å; I154-I158 PolarHBondContact O-N 3.02Å; E155-I158 PolarHBondContact O-N 2.73Å; I158-M161 PolarHBondContact O-N 3.28Å; I158-I162 HydrophobicContact CG2-CD1 3.84Å; I158-I162 WeakPolarHBondContact O-CG1 3.41Å; I158-I162 PolarHBondContact O-N 3.04Å
159R92.2Very high87.4Confident63 Ų6357.6 Ų57.624%0.23830%0.296CS..Hα-helixtrans-59-50.5177.2-169.8-165.8-174.2106.1-2.4111.1E155 T156 M161 I162 I163 L191 E194E155-R159 VanDerWaalsContact O-CB 3.27Å; E155-R159 WeakPolarHBondContact O-CB 3.47Å; E155-R159 PolarHBondContact O-N 3.49Å; T156-R159 PolarHBondContact O-N 3.29Å; R159-M161 VanDerWaalsContact C-N 3.3Å; R159-M161 PolarHBondContact O-N 3.45Å; R159-I162 PolarHBondContact O-N 3.38Å; R159-I162 VanDerWaalsContact O-N 3.11Å; R159-I163 HydrophobicContact CG-CD1 3.89Å; R159-I163 VanDerWaalsContact O-CG1 3.24Å; R159-I163 WeakPolarHBondContact O-CG1 3.12Å; R159-I163 PolarHBondContact O-N 3.09Å; R159-L191 HydrophobicContact CG-CD1 4.17Å; R159-E194 IonicContact CZ-OE1 3.66Å; R159-E194 IonicContact CZ-OE2 3.28Å; R159-E194 IonicContact NH2-OE1 3.64Å; R159-E194 PolarHBondContact NH2-OE1 3.39Å; R159-E194 IonicContact NH2-OE2 2.64Å; R159-E194 PolarHBondContact NH2-OE2 2.95Å
160N91.5Very high87.5Confident93 Ų9352.5 Ų52.550%0.49727%0.27SS..Hα-helixtrans-60.2-40.1178.4-69.2-7.2000111.8T156 I162 I163 E164T156-N160 WeakPolarHBondContact O-CB 3.46Å; T156-N160 PolarHBondContact O-N 2.87Å; T156-N160 PolarHBondContact O-ND2 2.81Å; T156-N160 PolarHBondContact O-OD1 3.13Å; N160-I162 PolarHBondContact O-N 2.69Å; N160-I163 PolarHBondContact O-N 3.1Å; N160-E164 PolarHBondContact O-N 3.39Å
161M90.6Very high88Confident9 Ų952 Ų524%0.04427%0.268CS..Hα-helixtrans-63.2-38.8174.7-172.7-172.5-57.300112.4P69 I117 S118 N119 P140 Q157 I158 R159 F165P69-M161 VanDerWaalsContact CD-SD 3.59Å; P69-M161 HydrophobicContact CG-CG 3.96Å; P69-M161 HydrophobicContact CG-SD 3.6Å; P69-M161 VanDerWaalsContact CG-SD 3.6Å; I117-M161 HydrophobicContact CB-CE 4.1Å; I117-M161 HydrophobicContact CD1-CE 3.72Å; I117-M161 HydrophobicContact CG1-CE 4.27Å; S118-M161 VanDerWaalsContact C-CE 3.45Å; S118-M161 WeakPolarHBondContact O-CE 3.49Å; N119-M161 HydrophobicContact CB-CE 4.28Å; N119-M161 HydrophobicContact CB-CG 4.23Å; P140-M161 HydrophobicContact CG-SD 3.62Å; Q157-M161 WeakPolarHBondContact O-CB 3.5Å; Q157-M161 PolarHBondContact O-N 3.32Å; I158-M161 PolarHBondContact O-N 3.28Å; R159-M161 VanDerWaalsContact C-N 3.3Å; R159-M161 PolarHBondContact O-N 3.45Å; M161-F165 VanDerWaalsContact O-CD2 3.24Å; M161-F165 WeakPolarHBondContact O-CD2 3.43Å
162I92.7Very high88.4Confident0 Ų050.2 Ų50.20%026%0.256CS..Hα-helixtrans-67.2-43.3175.4-65.7160.3000110.5V38 L139 M142 I158 R159 N160 E164 F165 I166 L191V38-I162 HydrophobicContact CG1-CG2 4.17Å; V38-I162 HydrophobicContact CG2-CG2 3.77Å; L139-I162 HydrophobicContact CB-CG1 4.14Å; L139-I162 HydrophobicContact CD1-CB 4.33Å; L139-I162 HydrophobicContact CD1-CG1 4.15Å; L139-I162 HydrophobicContact CD1-CG2 4.04Å; M142-I162 HydrophobicContact CG-CD1 3.77Å; M142-I162 HydrophobicContact SD-CD1 4.35Å; I158-I162 HydrophobicContact CG2-CD1 3.84Å; I158-I162 WeakPolarHBondContact O-CG1 3.41Å; I158-I162 PolarHBondContact O-N 3.04Å; R159-I162 PolarHBondContact O-N 3.38Å; R159-I162 VanDerWaalsContact O-N 3.11Å; N160-I162 PolarHBondContact O-N 2.69Å; I162-E164 VanDerWaalsContact C-N 3.31Å; I162-E164 PolarHBondContact O-N 3.37Å; I162-F165 PolarHBondContact O-N 3.48Å; I162-F165 VanDerWaalsContact O-N 3.11Å; I162-I166 HydrophobicContact CG2-CD1 4.02Å; I162-I166 HydrophobicContact CG2-CG1 4.17Å; I162-I166 HydrophobicContact CG2-CG2 3.97Å; I162-I166 WeakPolarHBondContact O-CG1 3.38Å; I162-I166 PolarHBondContact O-N 3.47Å; I162-L191 HydrophobicContact CB-CD2 4.08Å; I162-L191 HydrophobicContact CD1-CD2 4.24Å; I162-L191 HydrophobicContact CG2-CD2 3.54Å
163I92.5Very high88.8Confident21 Ų2144.4 Ų44.411%0.10822%0.218CC..Hα-helixtrans-54.5-43.9179.8-70.1164.2000111.5R159 N160 F165 I166 E167 L191 Y195R159-I163 HydrophobicContact CG-CD1 3.89Å; R159-I163 VanDerWaalsContact O-CG1 3.24Å; R159-I163 WeakPolarHBondContact O-CG1 3.12Å; R159-I163 PolarHBondContact O-N 3.09Å; N160-I163 PolarHBondContact O-N 3.1Å; I163-F165 PolarHBondContact O-N 3.17Å; I163-I166 PolarHBondContact O-N 3.12Å; I163-I166 VanDerWaalsContact O-N 3.15Å; I163-E167 HydrophobicContact CG2-CB 4.29Å; I163-E167 WeakPolarHBondContact O-CB 3.48Å; I163-E167 PolarHBondContact O-N 3.29Å; I163-L191 HydrophobicContact CG1-CD1 4.42Å; I163-Y195 HydrophobicContact CD1-CE2 4.17Å; I163-Y195 VanDerWaalsContact CD1-OH 3.28Å; I163-Y195 WeakPolarHBondContact CD1-OH 3.27Å; I163-Y195 HydrophobicContact CG1-CE2 3.74Å; I163-Y195 WeakPolarHBondContact CG1-OH 3.43Å; I163-Y195 HydrophobicContact CG2-CE1 3.89Å; I163-Y195 WeakPolarHBondContact CG2-OH 3.25Å
164E89.1Confident89Confident88 Ų8841.1 Ų41.141%0.41120%0.201SC..Hα-helixtrans-54-25.2179.2-165.4-177.9159.500114.3N160 I162 R168N160-E164 PolarHBondContact O-N 3.39Å; I162-E164 VanDerWaalsContact C-N 3.31Å; I162-E164 PolarHBondContact O-N 3.37Å; E164-R168 PolarHBondContact O-NE 3.33Å; E164-R168 VanDerWaalsContact O-NE 3.11Å; E164-R168 PolarHBondContact O-NH2 2.96Å
165F88.8Confident89.5Confident13 Ų1341 Ų416%0.05720%0.2CC..Hα-helixtrans-96.7-47.8173.5-62.1-85.9000112.5P69 I137 L139 M161 I162 I163 C171P69-F165 HydrophobicContact CB-CE2 3.97Å; P69-F165 HydrophobicContact CB-CZ 3.82Å; P69-F165 HydrophobicContact CG-CE2 3.79Å; P69-F165 HydrophobicContact CG-CZ 3.99Å; I137-F165 HydrophobicContact CD1-CD1 3.6Å; I137-F165 HydrophobicContact CD1-CE1 3.97Å; I137-F165 HydrophobicContact CG2-CD1 4.28Å; I137-F165 HydrophobicContact CG2-CE1 4.27Å; L139-F165 HydrophobicContact CD1-CB 4.43Å; L139-F165 HydrophobicContact CD1-CD2 4.44Å; L139-F165 HydrophobicContact CD2-CD2 3.54Å; L139-F165 HydrophobicContact CD2-CE2 3.74Å; L139-F165 HydrophobicContact CD2-CG 4.21Å; M161-F165 VanDerWaalsContact O-CD2 3.24Å; M161-F165 WeakPolarHBondContact O-CD2 3.43Å; I162-F165 PolarHBondContact O-N 3.48Å; I162-F165 VanDerWaalsContact O-N 3.11Å; I163-F165 PolarHBondContact O-N 3.17Å; F165-C171 VanDerWaalsContact O-CB 3.27Å; F165-C171 WeakPolarHBondContact O-CB 3.42Å
166I90.8Very high89.8Confident0 Ų037.6 Ų37.60%018%0.184CC..Hα-helixtrans-79-17.9-172.268.6164.9000114.6A36 V38 I162 I163 R168 I173 L191 Y195 R201A36-I166 HydrophobicContact CB-CG2 4.03Å; V38-I166 HydrophobicContact CG2-CG2 3.92Å; I162-I166 HydrophobicContact CG2-CD1 4.02Å; I162-I166 HydrophobicContact CG2-CG1 4.17Å; I162-I166 HydrophobicContact CG2-CG2 3.97Å; I162-I166 WeakPolarHBondContact O-CG1 3.38Å; I162-I166 PolarHBondContact O-N 3.47Å; I163-I166 PolarHBondContact O-N 3.12Å; I163-I166 VanDerWaalsContact O-N 3.15Å; I166-R168 PolarHBondContact O-N 3.49Å; I166-I173 HydrophobicContact CB-CD1 3.98Å; I166-I173 HydrophobicContact CB-CG1 4.13Å; I166-I173 HydrophobicContact CG2-CD1 4.34Å; I166-I173 HydrophobicContact CG2-CG1 4.07Å; I166-L191 HydrophobicContact CD1-CD1 4.37Å; I166-L191 HydrophobicContact CD1-CD2 4.05Å; I166-L191 HydrophobicContact CD1-CG 3.71Å; I166-Y195 HydrophobicContact CD1-CD2 3.69Å; I166-Y195 HydrophobicContact CD1-CE2 4.41Å; I166-Y195 HydrophobicContact CD1-CG 4.02Å; I166-Y195 HydrophobicContact CG1-CD2 4.29Å; I166-Y195 HydrophobicContact CG1-CG 4.23Å; I166-R201 VanDerWaalsContact O-CZ 3.25Å; I166-R201 PolarHBondContact O-NH1 3.48Å; I166-R201 PolarHBondContact O-NH2 3.46Å
167E90.5Very high90Very high123 Ų12334.2 Ų34.258%0.57516%0.163SC*.THydrogen-bonded Turntrans-63.5-25.7176.9-176.5173.4-166.800112.2I163 D169 Y195I163-E167 HydrophobicContact CG2-CB 4.29Å; I163-E167 WeakPolarHBondContact O-CB 3.48Å; I163-E167 PolarHBondContact O-N 3.29Å; E167-D169 PolarHBondContact O-N 2.9Å; E167-Y195 HydrophobicContact CB-CD1 4.07Å; E167-Y195 HydrophobicContact CB-CE1 4.11Å; E167-Y195 HydrophobicContact CG-CD1 4.26Å; E167-Y195 HydrophobicContact CG-CE1 4.16Å
168R84.7Confident90.2Very high85 Ų8531.8 Ų31.832%0.32115%0.153SC..SBendtrans-73126.1-178.3-48.3-176.2-162.5-157.94111D31 E164 I166 S170 C171 R201D31-R168 WeakPolarHBondContact OD1-CD 3.41Å; D31-R168 IonicContact OD1-CZ 3.51Å; D31-R168 IonicContact OD1-NE 2.76Å; D31-R168 IonicContact OD1-NH1 3.34Å; D31-R168 PolarHBondContact OD1-NH1 3.23Å; E164-R168 PolarHBondContact O-NE 3.33Å; E164-R168 VanDerWaalsContact O-NE 3.11Å; E164-R168 PolarHBondContact O-NH2 2.96Å; I166-R168 PolarHBondContact O-N 3.49Å; R168-S170 PolarHBondContact O-N 2.89Å; R168-S170 VanDerWaalsContact O-N 3.07Å; R168-C171 HydrophobicContact CB-CB 4.34Å; R168-C171 VanDerWaalsContact O-CB 3.28Å; R168-C171 WeakPolarHBondContact O-CB 3.33Å; R168-C171 PolarHBondContact O-N 2.94Å; R168-R201 PolarHBondContact O-NH1 3.41Å
169D81.9Confident90.3Very high132 Ų13232.2 Ų32.271%0.70616%0.157SC*.THydrogen-bonded Turntrans-57.7-24.1178.1-72-35.8000114.4E167 C171 R201 H290E167-D169 PolarHBondContact O-N 2.9Å; D169-C171 VanDerWaalsContact C-N 3.34Å; D169-R201 WeakPolarHBondContact O-CD 3.34Å; D169-H290 PolarHBondContact O-CE1 3.05Å; D169-H290 PolarHBondContact O-NE2 2.67Å
170S76.7Confident90.3Very high15 Ų1533.1 Ų33.111%0.10517%0.167CC..THydrogen-bonded Turntrans-81.2-8.2175.655.80000114.2D31 P33 R168 H290D31-S170 WeakPolarHBondContact CB-OG 3.46Å; D31-S170 WeakPolarHBondContact O-CB 3.46Å; P33-S170 VanDerWaalsContact CA-O 3.28Å; P33-S170 WeakPolarHBondContact CA-O 3.42Å; R168-S170 PolarHBondContact O-N 2.89Å; R168-S170 VanDerWaalsContact O-N 3.07Å; S170-H290 VanDerWaalsContact C-NE2 3.25Å; S170-H290 VanDerWaalsContact CA-NE2 3.31Å; S170-H290 WeakPolarHBondContact CA-NE2 3.31Å; S170-H290 PolarHBondContact O-CD2 3.11Å; S170-H290 PolarHBondContact O-NE2 2.93Å; S170-H290 VanDerWaalsContact O-NE2 3.1Å
171C85.9Confident90.1Very high3 Ų331.3 Ų31.32%0.0216%0.162CC..EExtended strand (participates in β ladder)trans-86.6123.6178.9-171.50000110.7A36 F165 R168 D169 R201A36-C171 WeakPolarHBondContact CB-SG 3.24Å; F165-C171 VanDerWaalsContact O-CB 3.27Å; F165-C171 WeakPolarHBondContact O-CB 3.42Å; R168-C171 HydrophobicContact CB-CB 4.34Å; R168-C171 VanDerWaalsContact O-CB 3.28Å; R168-C171 WeakPolarHBondContact O-CB 3.33Å; R168-C171 PolarHBondContact O-N 2.94Å; D169-C171 VanDerWaalsContact C-N 3.34Å; C171-R201 WeakPolarHBondContact O-CD 3.38Å; C171-R201 PolarHBondContact O-NH1 3.02Å
172L89Confident89.9Confident1 Ų135.3 Ų35.31%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-87.3121171-168.6166.5000108.6Q34 I35 A36 R201 I203 Q286Q34-L172 PolarHBondContact O-N 3.32Å; I35-L172 CarbonylContact C-O 3.56Å; I35-L172 WeakPolarHBondContact CA-O 3.42Å; I35-L172 HydrophobicContact CG1-CB 4.25Å; I35-L172 HydrophobicContact CG2-CD2 4.39Å; A36-L172 PolarHBondContact N-O 3.37Å; L172-R201 CarbonylContact C-O 3.42Å; L172-R201 WeakPolarHBondContact CA-O 3.27Å; L172-R201 WeakPolarHBondContact CG-O 3.22Å; L172-I203 HydrophobicContact CD1-CD1 4.24Å; L172-I203 HydrophobicContact CD2-CB 4.47Å; L172-I203 HydrophobicContact CD2-CD1 3.82Å; L172-I203 HydrophobicContact CD2-CG1 3.94Å; L172-Q286 HydrophobicContact CD1-CB 3.98Å
173I93.2Very high89.6Confident1 Ų135.6 Ų35.61%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-89.3118.2-176.5-52.3175.5000109.3V38 I166 A192 D196 R201 T202 I203V38-I173 HydrophobicContact CB-CG2 4.47Å; V38-I173 HydrophobicContact CG2-CG2 4.13Å; I166-I173 HydrophobicContact CB-CD1 3.98Å; I166-I173 HydrophobicContact CB-CG1 4.13Å; I166-I173 HydrophobicContact CG2-CD1 4.34Å; I166-I173 HydrophobicContact CG2-CG1 4.07Å; I173-A192 HydrophobicContact CD1-CB 4.39Å; I173-A192 HydrophobicContact CG2-CB 4.03Å; I173-D196 HydrophobicContact CD1-CB 4.28Å; I173-R201 PolarHBondContact N-O 3.24Å; I173-T202 CarbonylContact O-C 3.59Å; I173-T202 WeakPolarHBondContact O-CA 3.4Å; I173-I203 PolarHBondContact O-N 3.23Å
174L94.2Very high89.3Confident2 Ų238.2 Ų38.21%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-97.895.7172.5-165.568.1000109.2I35 A36 V37 V38 V176 I203 V205 L279 L283I35-L174 HydrophobicContact CG2-CB 4.04Å; I35-L174 HydrophobicContact CG2-CD2 4.5Å; A36-L174 PolarHBondContact O-N 3.12Å; V37-L174 HydrophobicContact CG1-CD2 4.4Å; V37-L174 HydrophobicContact CG2-CB 4.46Å; V37-L174 HydrophobicContact CG2-CD2 4.07Å; V38-L174 PolarHBondContact N-O 2.54Å; L174-V176 HydrophobicContact CG-CG2 4.36Å; L174-V176 PolarHBondContact O-N 3.46Å; L174-I203 HydrophobicContact CD1-CB 3.94Å; L174-I203 HydrophobicContact CD1-CG2 3.92Å; L174-V205 HydrophobicContact CD1-CG2 3.44Å; L174-V205 VanDerWaalsContact CD1-CG2 3.44Å; L174-V205 HydrophobicContact CD2-CG2 4.43Å; L174-V205 HydrophobicContact CG-CG2 3.87Å; L174-L279 HydrophobicContact CD1-CD1 4.39Å; L174-L283 HydrophobicContact CD1-CD1 4.2Å; L174-L283 HydrophobicContact CD1-CD2 3.84Å; L174-L283 HydrophobicContact CD2-CD1 3.97Å
175A95.1Very high89.2Confident0 Ų039.3 Ų39.30%022%0.218CC..EExtended strand (participates in β ladder)trans-85.494-175.100000110.9A188 L189 T202 I203 V205A175-A188 HydrophobicContact CB-CB 4.25Å; A175-L189 HydrophobicContact CB-CD2 3.78Å; A175-L189 HydrophobicContact CB-CG 4.36Å; A175-T202 HydrophobicContact CB-CG2 4.07Å; A175-I203 PolarHBondContact N-O 2.96Å; A175-V205 PolarHBondContact O-N 2.87Å
176V95.2Very high89.2Confident0 Ų039.3 Ų39.30%022%0.22CC..EExtended strand (participates in β ladder)trans-87.1116.4-177.5-172.90000110.5V37 V38 G39 A43 K45 L174 V205 T207V37-V176 HydrophobicContact CG1-CG2 3.58Å; V38-V176 PolarHBondContact O-N 3.49Å; G39-V176 WeakPolarHBondContact CA-O 3.45Å; A43-V176 HydrophobicContact CB-CG1 4.39Å; A43-V176 WeakPolarHBondContact O-CG1 3.42Å; K45-V176 HydrophobicContact CG-CB 4.17Å; K45-V176 HydrophobicContact CG-CG1 4.44Å; K45-V176 HydrophobicContact CG-CG2 4.33Å; L174-V176 HydrophobicContact CG-CG2 4.36Å; L174-V176 PolarHBondContact O-N 3.46Å; V176-V205 WeakPolarHBondContact CA-O 3.26Å; V176-V205 HydrophobicContact CG2-CB 4.31Å; V176-T207 HydrophobicContact CG1-CG2 3.56Å
177S94.7Very high89.1Confident2 Ų240.6 Ų40.61%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-125.7140.7178.8-52.20000110.6S186 V205 L206 T207S177-S186 PolarHBondContact OG-OG 2.61Å; S177-V205 PolarHBondContact N-O 2.66Å; S177-L206 WeakPolarHBondContact O-CA 3.41Å; S177-T207 PolarHBondContact O-N 2.88Å
178P93.9Very high89.2Confident15 Ų1534.8 Ų34.810%0.09720%0.2CC..EExtended strand (participates in β ladder)trans-82131.3173.529.6-25.1000111N180 S181 K208P178-N180 VanDerWaalsContact C-N 3.26Å; P178-N180 PolarHBondContact O-N 2.8Å; P178-S181 WeakPolarHBondContact CG-OG 3.39Å; P178-S181 PolarHBondContact O-N 3.1Å; P178-S181 PolarHBondContact O-OG 3.17Å; P178-K208 HydrophobicContact CB-CD 3.86Å; P178-K208 HydrophobicContact CB-CG 4.39Å
179A93.5Very high89.6Confident11 Ų1131 Ų319%0.09119%0.186CC..THydrogen-bonded Turntrans-69.9-20-175.700000113.9S181 L206 T207 L209 M212A179-S181 PolarHBondContact O-N 2.91Å; A179-L206 HydrophobicContact CB-CB 4.45Å; A179-T207 VanDerWaalsContact CB-O 3.29Å; A179-T207 WeakPolarHBondContact CB-O 3.45Å; A179-T207 PolarHBondContact N-O 2.98Å; A179-L209 HydrophobicContact CB-CD2 3.49Å; A179-L209 VanDerWaalsContact CB-CD2 3.49Å; A179-L209 HydrophobicContact CB-CG 3.91Å; A179-M212 HydrophobicContact CB-CG 4.07Å; A179-M212 HydrophobicContact CB-SD 3.84Å
180N91Very high90Very high81 Ų8131 Ų3143%0.43318%0.179SC..THydrogen-bonded Turntrans-82.721.617379.5-36.7000113.4P178 L211P178-N180 VanDerWaalsContact C-N 3.26Å; P178-N180 PolarHBondContact O-N 2.8Å; N180-L211 WeakPolarHBondContact CB-O 3.27Å
181S88Confident90.8Very high56 Ų5630.3 Ų30.339%0.39217%0.174SC..SBendtrans-137.9147.5171.268.70000109.2P178 A179 L183P178-S181 WeakPolarHBondContact CG-OG 3.39Å; P178-S181 PolarHBondContact O-N 3.1Å; P178-S181 PolarHBondContact O-OG 3.17Å; A179-S181 PolarHBondContact O-N 2.91Å; S181-L183 PolarHBondContact O-N 3.46Å
182D86.3Confident91.1Very high92 Ų9230.2 Ų30.249%0.49217%0.174SC..  trans-60.2123.3177.4172.419.5000111.2A184 N185D182-A184 PolarHBondContact O-N 2.97Å; D182-A184 PolarHBondContact OD1-N 2.67Å; D182-N185 WeakPolarHBondContact O-CB 3.49Å; D182-N185 PolarHBondContact O-N 3.36Å; D182-N185 PolarHBondContact OD2-ND2 3.48Å
183L87.6Confident91.1Very high7 Ų732.3 Ų32.34%0.03718%0.183CC..G310 helixtrans-60.6-30.7-177.9-16477.5000112.7S181 N185 S186 L189 L206 I221 L226 L227 Y233S181-L183 PolarHBondContact O-N 3.46Å; L183-N185 PolarHBondContact O-N 2.89Å; L183-S186 WeakPolarHBondContact O-CB 3.5Å; L183-S186 PolarHBondContact O-N 2.94Å; L183-L189 HydrophobicContact CD1-CD1 3.55Å; L183-L189 HydrophobicContact CD2-CD1 4.01Å; L183-L189 HydrophobicContact CG-CD1 3.6Å; L183-L206 HydrophobicContact CD1-CD2 3.73Å; L183-I221 HydrophobicContact CB-CD1 3.97Å; L183-I221 HydrophobicContact CD1-CD1 4.5Å; L183-I221 HydrophobicContact CD1-CG2 4.3Å; L183-I221 HydrophobicContact CD2-CB 4.37Å; L183-I221 HydrophobicContact CD2-CD1 4.06Å; L183-I221 HydrophobicContact CD2-CG1 4.02Å; L183-I221 HydrophobicContact CD2-CG2 3.46Å; L183-I221 VanDerWaalsContact CD2-CG2 3.46Å; L183-I221 HydrophobicContact CG-CD1 4.41Å; L183-I221 HydrophobicContact CG-CG2 4.46Å; L183-L226 HydrophobicContact CD2-CD2 4.44Å; L183-L227 HydrophobicContact CD2-CB 4.04Å; L183-Y233 HydrophobicContact CD1-CE1 4.42Å; L183-Y233 HydrophobicContact CD2-CE1 4.33Å
184A84.6Confident91.1Very high75 Ų7536.3 Ų36.362%0.6220%0.202SC*.G310 helixtrans-61.8-23.417700000112.4D182D182-A184 PolarHBondContact O-N 2.97Å; D182-A184 PolarHBondContact OD1-N 2.67Å
185N86.9Confident91Very high111 Ų11139.6 Ų39.659%0.59422%0.215SC*.G310 helixtrans-93.48.9175.8-68.8-70.1000113.4D182 L183 D187D182-N185 WeakPolarHBondContact O-CB 3.49Å; D182-N185 PolarHBondContact O-N 3.36Å; D182-N185 PolarHBondContact OD2-ND2 3.48Å; L183-N185 PolarHBondContact O-N 2.89Å; N185-D187 PolarHBondContact O-N 3.17Å; N185-D187 VanDerWaalsContact O-N 3.12Å
186S90Very high90.8Very high14 Ų1440 Ų4010%0.09822%0.217CC..  trans-71.1105178.5179.40000112S177 L183 A188 L189 K190S177-S186 PolarHBondContact OG-OG 2.61Å; L183-S186 WeakPolarHBondContact O-CB 3.5Å; L183-S186 PolarHBondContact O-N 2.94Å; S186-A188 PolarHBondContact O-N 3.09Å; S186-A188 PolarHBondContact OG-N 2.75Å; S186-L189 PolarHBondContact O-N 2.75Å; S186-L189 PolarHBondContact OG-N 3.22Å; S186-K190 PolarHBondContact O-N 2.87Å
187D89.1Confident90.5Very high27 Ų2743.8 Ų43.814%0.14424%0.241CC..Hα-helixtrans-57-30.6173.7-58.3-46.7000112.3M142 K144 N185 L191M142-D187 HydrophobicContact CE-CB 3.81Å; M142-D187 HydrophobicContact SD-CB 3.78Å; K144-D187 VanDerWaalsContact CE-CG 3.41Å; K144-D187 WeakPolarHBondContact CE-OD1 3.38Å; K144-D187 WeakPolarHBondContact CE-OD2 3.33Å; K144-D187 IonicContact NZ-OD1 3.8Å; K144-D187 PolarHBondContact NZ-OD1 2.84Å; K144-D187 IonicContact NZ-OD2 2.87Å; K144-D187 PolarHBondContact NZ-OD2 2.88Å; N185-D187 PolarHBondContact O-N 3.17Å; N185-D187 VanDerWaalsContact O-N 3.12Å; D187-L191 WeakPolarHBondContact O-CB 3.35Å; D187-L191 PolarHBondContact O-N 3.39Å
188A92.4Very high90.1Very high1 Ų150.2 Ų50.21%0.00827%0.271CS..Hα-helixtrans-69-44.6178.600000112.6V38 A175 S186 A192V38-A188 HydrophobicContact CG1-CB 4.21Å; A175-A188 HydrophobicContact CB-CB 4.25Å; S186-A188 PolarHBondContact O-N 3.09Å; S186-A188 PolarHBondContact OG-N 2.75Å; A188-A192 VanDerWaalsContact O-CB 3.26Å; A188-A192 WeakPolarHBondContact O-CB 3.45Å; A188-A192 PolarHBondContact O-N 2.89Å
189L92.2Very high89.7Confident6 Ų649.7 Ų49.73%0.03127%0.269CS..Hα-helixtrans-73.4-35178.2-70.3169.4000111.6A175 L183 S186 A192 K193 L227 L229 Y233A175-L189 HydrophobicContact CB-CD2 3.78Å; A175-L189 HydrophobicContact CB-CG 4.36Å; L183-L189 HydrophobicContact CD1-CD1 3.55Å; L183-L189 HydrophobicContact CD2-CD1 4.01Å; L183-L189 HydrophobicContact CG-CD1 3.6Å; S186-L189 PolarHBondContact O-N 2.75Å; S186-L189 PolarHBondContact OG-N 3.22Å; L189-A192 PolarHBondContact O-N 3.42Å; L189-K193 WeakPolarHBondContact O-CB 3.3Å; L189-K193 PolarHBondContact O-N 2.97Å; L189-L227 HydrophobicContact CD1-CD2 4.42Å; L189-L229 HydrophobicContact CD2-CD1 3.92Å; L189-L229 HydrophobicContact CD2-CD2 4.43Å; L189-Y233 HydrophobicContact CD1-CE1 4.11Å; L189-Y233 WeakPolarHBondContact CD1-OH 3.22Å; L189-Y233 HydrophobicContact CD2-CE1 4.32Å
190K91.5Very high89.3Confident130 Ų13052.2 Ų52.257%0.56528%0.28SS*.Hα-helixtrans-58.2-53.3171.9-178.4176.4179.9178.90110.9S186 A192 K193 E194S186-K190 PolarHBondContact O-N 2.87Å; K190-A192 VanDerWaalsContact C-N 3.35Å; K190-A192 PolarHBondContact O-N 2.93Å; K190-K193 PolarHBondContact O-N 2.96Å; K190-E194 PolarHBondContact O-N 3.25Å
191L91.9Very high89.2Confident1 Ų149 Ų491%0.00526%0.262CS..Hα-helixtrans-66.2-36.9179.8-171.164.2000112V38 M142 R159 I162 I163 I166 D187 E194 Y195V38-L191 HydrophobicContact CG1-CD2 4.32Å; M142-L191 HydrophobicContact SD-CD2 4.12Å; R159-L191 HydrophobicContact CG-CD1 4.17Å; I162-L191 HydrophobicContact CB-CD2 4.08Å; I162-L191 HydrophobicContact CD1-CD2 4.24Å; I162-L191 HydrophobicContact CG2-CD2 3.54Å; I163-L191 HydrophobicContact CG1-CD1 4.42Å; I166-L191 HydrophobicContact CD1-CD1 4.37Å; I166-L191 HydrophobicContact CD1-CD2 4.05Å; I166-L191 HydrophobicContact CD1-CG 3.71Å; D187-L191 WeakPolarHBondContact O-CB 3.35Å; D187-L191 PolarHBondContact O-N 3.39Å; L191-E194 PolarHBondContact O-N 3.35Å; L191-Y195 HydrophobicContact CD1-CD2 4.26Å; L191-Y195 HydrophobicContact CD1-CE2 4Å
192A92.6Very high89.4Confident2 Ų246.4 Ų46.42%0.01724%0.244CC..Hα-helixtrans-61.9-44173.600000112.2I173 A188 L189 K190 E194 Y195 D196 T202I173-A192 HydrophobicContact CD1-CB 4.39Å; I173-A192 HydrophobicContact CG2-CB 4.03Å; A188-A192 VanDerWaalsContact O-CB 3.26Å; A188-A192 WeakPolarHBondContact O-CB 3.45Å; A188-A192 PolarHBondContact O-N 2.89Å; L189-A192 PolarHBondContact O-N 3.42Å; K190-A192 VanDerWaalsContact C-N 3.35Å; K190-A192 PolarHBondContact O-N 2.93Å; A192-E194 VanDerWaalsContact C-N 3.27Å; A192-E194 PolarHBondContact O-N 3.45Å; A192-Y195 PolarHBondContact O-N 3.37Å; A192-D196 WeakPolarHBondContact O-CA 3.47Å; A192-D196 PolarHBondContact O-N 3.15Å; A192-T202 HydrophobicContact CB-CG2 3.71Å
193K90.2Very high89.8Confident45 Ų4542 Ų4220%0.19622%0.22CC..Hα-helixtrans-66.3-23.3177.4-92.4-176.2165.6-85.90114.1L189 K190 P197 L227 D753L189-K193 WeakPolarHBondContact O-CB 3.3Å; L189-K193 PolarHBondContact O-N 2.97Å; K190-K193 PolarHBondContact O-N 2.96Å; K193-P197 VanDerWaalsContact O-CA 3.27Å; K193-P197 WeakPolarHBondContact O-CA 3.39Å; K193-P197 WeakPolarHBondContact O-CG 3.32Å; K193-L227 HydrophobicContact CD-CD2 4.49Å; K193-D753 IonicContact NZ-OD1 3.35Å; K193-D753 PolarHBondContact NZ-OD1 3.02Å
194E92Very high90.1Very high84 Ų8441.7 Ų41.739%0.39322%0.219SC..Hα-helixtrans-70.6-34.5173.9-70.2173.8-158.300112.3R159 K190 L191 A192R159-E194 IonicContact CZ-OE1 3.66Å; R159-E194 IonicContact CZ-OE2 3.28Å; R159-E194 IonicContact NH2-OE1 3.64Å; R159-E194 PolarHBondContact NH2-OE1 3.39Å; R159-E194 IonicContact NH2-OE2 2.64Å; R159-E194 PolarHBondContact NH2-OE2 2.95Å; K190-E194 PolarHBondContact O-N 3.25Å; L191-E194 PolarHBondContact O-N 3.35Å; A192-E194 VanDerWaalsContact C-N 3.27Å; A192-E194 PolarHBondContact O-N 3.45Å
195Y92.2Very high90.6Very high71 Ų7138.1 Ų38.128%0.27819%0.189SC..Hα-helixtrans-108-12.4-176-70.3-87.9000114.5I163 I166 E167 L191 A192 R201I163-Y195 HydrophobicContact CD1-CE2 4.17Å; I163-Y195 VanDerWaalsContact CD1-OH 3.28Å; I163-Y195 WeakPolarHBondContact CD1-OH 3.27Å; I163-Y195 HydrophobicContact CG1-CE2 3.74Å; I163-Y195 WeakPolarHBondContact CG1-OH 3.43Å; I163-Y195 HydrophobicContact CG2-CE1 3.89Å; I163-Y195 WeakPolarHBondContact CG2-OH 3.25Å; I166-Y195 HydrophobicContact CD1-CD2 3.69Å; I166-Y195 HydrophobicContact CD1-CE2 4.41Å; I166-Y195 HydrophobicContact CD1-CG 4.02Å; I166-Y195 HydrophobicContact CG1-CD2 4.29Å; I166-Y195 HydrophobicContact CG1-CG 4.23Å; E167-Y195 HydrophobicContact CB-CD1 4.07Å; E167-Y195 HydrophobicContact CB-CE1 4.11Å; E167-Y195 HydrophobicContact CG-CD1 4.26Å; E167-Y195 HydrophobicContact CG-CE1 4.16Å; L191-Y195 HydrophobicContact CD1-CD2 4.26Å; L191-Y195 HydrophobicContact CD1-CE2 4Å; A192-Y195 PolarHBondContact O-N 3.37Å; Y195-R201 PolarHBondContact O-NH2 3.42Å
196D91.7Very high91Very high8 Ų832.9 Ų32.94%0.04316%0.161CC..  trans-140.469.6172.9178.627.9000109.9I173 A192 Q198 G199 L200 R201 T202I173-D196 HydrophobicContact CD1-CB 4.28Å; A192-D196 WeakPolarHBondContact O-CA 3.47Å; A192-D196 PolarHBondContact O-N 3.15Å; D196-Q198 PolarHBondContact O-N 3.5Å; D196-G199 PolarHBondContact O-N 3.45Å; D196-G199 PolarHBondContact OD1-N 3.35Å; D196-G199 WeakPolarHBondContact OD2-CA 3.37Å; D196-L200 VanDerWaalsContact CG-N 3.27Å; D196-L200 PolarHBondContact OD1-N 2.91Å; D196-L200 PolarHBondContact OD2-N 3.36Å; D196-R201 HydrophobicContact CB-CG 3.99Å; D196-R201 WeakPolarHBondContact OD2-CG 3.41Å; D196-R201 PolarHBondContact OD2-N 2.83Å; D196-T202 WeakPolarHBondContact OD2-CB 3.37Å; D196-T202 PolarHBondContact OD2-N 2.99Å; D196-T202 PolarHBondContact OD2-OG1 2.87Å
197P88.9Confident91.2Very high80 Ų8032.2 Ų32.252%0.51916%0.156SC..THydrogen-bonded Turntrans-58.5-34.2-173.4-25.134.2000113.9K193 G199K193-P197 VanDerWaalsContact O-CA 3.27Å; K193-P197 WeakPolarHBondContact O-CA 3.39Å; K193-P197 WeakPolarHBondContact O-CG 3.32Å; P197-G199 VanDerWaalsContact C-N 3.32Å
198Q85Confident91.4Very high137 Ų13733.7 Ų33.764%0.6416%0.162SC*.THydrogen-bonded Turntrans-84.60.2179-68.2-179.316.600113.6D196 L200D196-Q198 PolarHBondContact O-N 3.5Å; Q198-L200 HydrophobicContact CB-CD1 4.41Å; Q198-L200 HydrophobicContact CB-CD2 3.8Å; Q198-L200 HydrophobicContact CB-CG 3.74Å; Q198-L200 PolarHBondContact O-N 3.22Å
199G86.8Confident91.5Very high5 Ų533.9 Ų33.95%0.05216%0.162CC..  trans60.826.1-179.300000114.5D196 P197 R201 R230D196-G199 PolarHBondContact O-N 3.45Å; D196-G199 PolarHBondContact OD1-N 3.35Å; D196-G199 WeakPolarHBondContact OD2-CA 3.37Å; P197-G199 VanDerWaalsContact C-N 3.32Å; G199-R201 VanDerWaalsContact C-N 3.34Å; G199-R201 PolarHBondContact O-N 2.88Å; G199-R230 WeakPolarHBondContact O-CB 3.47Å
200L85.1Confident91.5Very high63 Ų6336.6 Ų36.633%0.3318%0.177SC..SBendtrans-68.5-29.2-174.5-57.8-171.2000113.5D196 Q198 R230 R231D196-L200 VanDerWaalsContact CG-N 3.27Å; D196-L200 PolarHBondContact OD1-N 2.91Å; D196-L200 PolarHBondContact OD2-N 3.36Å; Q198-L200 HydrophobicContact CB-CD1 4.41Å; Q198-L200 HydrophobicContact CB-CD2 3.8Å; Q198-L200 HydrophobicContact CB-CG 3.74Å; Q198-L200 PolarHBondContact O-N 3.22Å; L200-R230 VanDerWaalsContact CD2-CD 3.49Å; L200-R231 PolarHBondContact O-NE 3.44Å; L200-R231 PolarHBondContact O-NH2 3.48Å
201R89.4Confident91.5Very high14 Ų1434.8 Ų34.85%0.05317%0.173CC..SBendtrans-127.24.1-174.760.5-167.5-178.892.7-0.7112.9I166 R168 D169 C171 L172 I173 Y195 D196 G199I166-R201 VanDerWaalsContact O-CZ 3.25Å; I166-R201 PolarHBondContact O-NH1 3.48Å; I166-R201 PolarHBondContact O-NH2 3.46Å; R168-R201 PolarHBondContact O-NH1 3.41Å; D169-R201 WeakPolarHBondContact O-CD 3.34Å; C171-R201 WeakPolarHBondContact O-CD 3.38Å; C171-R201 PolarHBondContact O-NH1 3.02Å; L172-R201 CarbonylContact C-O 3.42Å; L172-R201 WeakPolarHBondContact CA-O 3.27Å; L172-R201 WeakPolarHBondContact CG-O 3.22Å; I173-R201 PolarHBondContact N-O 3.24Å; Y195-R201 PolarHBondContact O-NH2 3.42Å; D196-R201 HydrophobicContact CB-CG 3.99Å; D196-R201 WeakPolarHBondContact OD2-CG 3.41Å; D196-R201 PolarHBondContact OD2-N 2.83Å; G199-R201 VanDerWaalsContact C-N 3.34Å; G199-R201 PolarHBondContact O-N 2.88Å
202T92.2Very high91.6Very high1 Ų136.5 Ų36.51%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-93.1131.7175.4-55.60000112.2I173 A175 A192 D196 L229 R231I173-T202 CarbonylContact O-C 3.59Å; I173-T202 WeakPolarHBondContact O-CA 3.4Å; A175-T202 HydrophobicContact CB-CG2 4.07Å; A192-T202 HydrophobicContact CB-CG2 3.71Å; D196-T202 WeakPolarHBondContact OD2-CB 3.37Å; D196-T202 PolarHBondContact OD2-N 2.99Å; D196-T202 PolarHBondContact OD2-OG1 2.87Å; T202-L229 HydrophobicContact CG2-CD1 4.13Å; T202-L229 HydrophobicContact CG2-CD2 4.08Å; T202-R231 WeakPolarHBondContact O-CB 3.34Å
203I92.8Very high91.5Very high0 Ų042.5 Ų42.50%021%0.214CC..EExtended strand (participates in β ladder)trans-116.6124.8169.7-61.8-176.5000108.4L172 I173 L174 A175 R231 I282 L283 Q286L172-I203 HydrophobicContact CD1-CD1 4.24Å; L172-I203 HydrophobicContact CD2-CB 4.47Å; L172-I203 HydrophobicContact CD2-CD1 3.82Å; L172-I203 HydrophobicContact CD2-CG1 3.94Å; I173-I203 PolarHBondContact O-N 3.23Å; L174-I203 HydrophobicContact CD1-CB 3.94Å; L174-I203 HydrophobicContact CD1-CG2 3.92Å; A175-I203 PolarHBondContact N-O 2.96Å; I203-R231 HydrophobicContact CD1-CB 4.5Å; I203-R231 HydrophobicContact CG1-CB 3.7Å; I203-R231 VanDerWaalsContact CG1-CD 3.45Å; I203-R231 HydrophobicContact CG1-CG 4.19Å; I203-I282 HydrophobicContact CD1-CG2 4.36Å; I203-L283 HydrophobicContact CD1-CD2 3.49Å; I203-L283 VanDerWaalsContact CD1-CD2 3.49Å; I203-Q286 HydrophobicContact CD1-CB 4.38Å; I203-Q286 HydrophobicContact CD1-CG 4.22Å
204G94.3Very high91.3Very high0 Ų050 Ų500%025%0.249CC..EExtended strand (participates in β ladder)trans-82.1132.1175.100000111.5G232 Y233 I234G204-G232 PolarHBondContact N-O 3Å; G204-Y233 CarbonylContact O-C 3.49Å; G204-Y233 WeakPolarHBondContact O-CA 3.35Å; G204-I234 PolarHBondContact O-N 3.17Å
205V95.6Very high91.1Very high0 Ų050.3 Ų50.30%028%0.275CS..EExtended strand (participates in β ladder)trans-122121172.8177.70000109.4V48 L174 A175 V176 S177 T207 I234 V236 L279V48-V205 HydrophobicContact CG2-CG1 4.46Å; L174-V205 HydrophobicContact CD1-CG2 3.44Å; L174-V205 VanDerWaalsContact CD1-CG2 3.44Å; L174-V205 HydrophobicContact CD2-CG2 4.43Å; L174-V205 HydrophobicContact CG-CG2 3.87Å; A175-V205 PolarHBondContact O-N 2.87Å; V176-V205 WeakPolarHBondContact CA-O 3.26Å; V176-V205 HydrophobicContact CG2-CB 4.31Å; S177-V205 PolarHBondContact N-O 2.66Å; V205-T207 HydrophobicContact CG1-CG2 4.34Å; V205-I234 WeakPolarHBondContact CA-O 3.32Å; V205-V236 HydrophobicContact CG1-CG1 4.4Å; V205-V236 HydrophobicContact CG1-CG2 3.74Å; V205-L279 HydrophobicContact CG1-CD2 4.08Å; V205-L279 HydrophobicContact CG2-CD1 3.87Å; V205-L279 HydrophobicContact CG2-CD2 3.86Å
206L95.4Very high91Very high1 Ų150.4 Ų50.41%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-97.5119173.4-63.4-169.1000110.3S177 A179 L183 L209 A218 I221 L222 Y233 I234 G235 V236S177-L206 WeakPolarHBondContact O-CA 3.41Å; A179-L206 HydrophobicContact CB-CB 4.45Å; L183-L206 HydrophobicContact CD1-CD2 3.73Å; L206-L209 HydrophobicContact CB-CD1 4.48Å; L206-L209 HydrophobicContact CB-CD2 4.49Å; L206-L209 HydrophobicContact CD1-CD2 4.49Å; L206-A218 HydrophobicContact CD1-CB 3.9Å; L206-I221 HydrophobicContact CD1-CB 4Å; L206-I221 HydrophobicContact CD1-CD1 4.41Å; L206-I221 HydrophobicContact CD1-CG2 3.71Å; L206-I221 HydrophobicContact CD2-CG2 4.31Å; L206-I221 HydrophobicContact CG-CG2 4.35Å; L206-L222 HydrophobicContact CB-CD2 4.35Å; L206-L222 HydrophobicContact CD1-CD2 3.68Å; L206-L222 HydrophobicContact CD1-CG 4.03Å; L206-L222 HydrophobicContact CG-CD2 4.14Å; L206-Y233 HydrophobicContact CD2-CD1 4.23Å; L206-Y233 HydrophobicContact CG-CD1 4.23Å; L206-I234 PolarHBondContact N-O 2.9Å; L206-G235 CarbonylContact O-C 3.51Å; L206-G235 WeakPolarHBondContact O-CA 3.49Å; L206-V236 PolarHBondContact O-N 3.24Å
207T94.9Very high91Very high0 Ų053.2 Ų53.20%030%0.298CS..EExtended strand (participates in β ladder)trans-101.1170.7173.569.80000110.7A43 V48 V176 S177 A179 V205 L209 V236A43-T207 WeakPolarHBondContact O-CG2 3.18Å; A43-T207 PolarHBondContact O-OG1 3.49Å; V48-T207 HydrophobicContact CG2-CG2 4Å; V176-T207 HydrophobicContact CG1-CG2 3.56Å; S177-T207 PolarHBondContact O-N 2.88Å; A179-T207 VanDerWaalsContact CB-O 3.29Å; A179-T207 WeakPolarHBondContact CB-O 3.45Å; A179-T207 PolarHBondContact N-O 2.98Å; V205-T207 HydrophobicContact CG1-CG2 4.34Å; T207-L209 VanDerWaalsContact C-N 3.28Å; T207-L209 PolarHBondContact O-N 3.37Å; T207-V236 HydrophobicContact CG2-CG2 3.84Å
208K93.5Very high91.2Very high58 Ų5849.5 Ų49.525%0.25227%0.274SS..  trans59.331.2172-52.7-176.6-167.9173.40115S42 P178 D210 L211S42-K208 VanDerWaalsContact O-CE 3.24Å; S42-K208 WeakPolarHBondContact O-CE 3.46Å; S42-K208 PolarHBondContact O-NZ 2.89Å; P178-K208 HydrophobicContact CB-CD 3.86Å; P178-K208 HydrophobicContact CB-CG 4.39Å; K208-D210 VanDerWaalsContact CA-OD1 3.3Å; K208-D210 WeakPolarHBondContact CA-OD1 3.29Å; K208-D210 PolarHBondContact O-N 2.68Å; K208-L211 HydrophobicContact CB-CB 4.28Å; K208-L211 HydrophobicContact CB-CD1 4.23Å; K208-L211 HydrophobicContact CB-CG 4.48Å; K208-L211 HydrophobicContact CD-CD1 4.24Å; K208-L211 HydrophobicContact CG-CD1 4.27Å; K208-L211 PolarHBondContact O-N 2.91Å
209L93.8Very high91.5Very high5 Ų545.4 Ų45.43%0.02626%0.255CS..G310 helixtrans-62.7-21.7175-71.5160.3000112.6A179 L206 T207 L211 M212 A218 L222 G235 V237 F260 F261 Y267A179-L209 HydrophobicContact CB-CD2 3.49Å; A179-L209 VanDerWaalsContact CB-CD2 3.49Å; A179-L209 HydrophobicContact CB-CG 3.91Å; L206-L209 HydrophobicContact CB-CD1 4.48Å; L206-L209 HydrophobicContact CB-CD2 4.49Å; L206-L209 HydrophobicContact CD1-CD2 4.49Å; T207-L209 VanDerWaalsContact C-N 3.28Å; T207-L209 PolarHBondContact O-N 3.37Å; L209-L211 VanDerWaalsContact C-N 3.32Å; L209-M212 HydrophobicContact CD2-SD 3.97Å; L209-A218 HydrophobicContact CD2-CB 3.71Å; L209-L222 HydrophobicContact CD1-CD1 4.34Å; L209-L222 HydrophobicContact CD2-CD1 4.35Å; L209-G235 VanDerWaalsContact CD1-CA 3.49Å; L209-V237 HydrophobicContact CB-CG2 4.34Å; L209-F260 HydrophobicContact CB-CE1 3.92Å; L209-F260 HydrophobicContact CB-CZ 4Å; L209-F260 WeakPolarHBondContact O-CZ 3.37Å; L209-F261 HydrophobicContact CD1-CE1 3.87Å; L209-F261 HydrophobicContact CD1-CZ 3.81Å; L209-Y267 HydrophobicContact CD2-CE2 4.44Å
210D92.2Very high91.7Very high63 Ų6350.5 Ų50.534%0.33728%0.277SS..G310 helixtrans-77.7-10.5173.261-55.9000114.3K208 V237 F260K208-D210 VanDerWaalsContact CA-OD1 3.3Å; K208-D210 WeakPolarHBondContact CA-OD1 3.29Å; K208-D210 PolarHBondContact O-N 2.68Å; D210-V237 HydrophobicContact CB-CG1 4.03Å; D210-F260 HydrophobicContact CB-CE2 4.17Å
211L92.3Very high92.1Very high92 Ų9248.5 Ų48.548%0.48227%0.267SS..G310 helixtrans-116.520-178.1-55.7177.6000112.7N180 K208 L209N180-L211 WeakPolarHBondContact CB-O 3.27Å; K208-L211 HydrophobicContact CB-CB 4.28Å; K208-L211 HydrophobicContact CB-CD1 4.23Å; K208-L211 HydrophobicContact CB-CG 4.48Å; K208-L211 HydrophobicContact CD-CD1 4.24Å; K208-L211 HydrophobicContact CG-CD1 4.27Å; K208-L211 PolarHBondContact O-N 2.91Å; L209-L211 VanDerWaalsContact C-N 3.32Å
212M92.2Very high92.3Very high37 Ų3748.5 Ų48.518%0.18227%0.267CS..SBendtrans-74.3151.4171.2-63.9-170.967.900110.7A179 L209 D217 A218A179-M212 HydrophobicContact CB-CG 4.07Å; A179-M212 HydrophobicContact CB-SD 3.84Å; L209-M212 HydrophobicContact CD2-SD 3.97Å; M212-D217 VanDerWaalsContact CE-C 3.42Å; M212-A218 HydrophobicContact CE-CB 4.11Å; M212-A218 HydrophobicContact SD-CB 3.92Å
213D90.3Very high92.3Very high129 Ų12951 Ų5169%0.6928%0.279SS*.PPolyproline II helixtrans-65138.2179.1-67.3-36000110.7G215 T216D213-G215 PolarHBondContact O-N 3.01Å; D213-T216 HydrophobicContact CB-CG2 4.3Å; D213-T216 PolarHBondContact N-OG1 3.13Å; D213-T216 WeakPolarHBondContact O-CB 3.5Å; D213-T216 PolarHBondContact O-N 3.23Å; D213-T216 PolarHBondContact O-OG1 3.09Å
214E86.5Confident92.2Very high203 Ų20353 Ų5395%0.94929%0.29SS*.THydrogen-bonded Turntrans-57.3125.3-178.6-68.5-170.1167.700111.3
215G87.6Confident91.9Very high90 Ų9059.4 Ų59.493%0.92831%0.314SS*.THydrogen-bonded Turntrans94.7-2.9-174.200000114.9D213D213-G215 PolarHBondContact O-N 3.01Å
216T90.6Very high91.4Very high72 Ų7263.4 Ų63.444%0.44234%0.335SS..  trans-106.9152.1169.769.80000111.4D213D213-T216 HydrophobicContact CB-CG2 4.3Å; D213-T216 PolarHBondContact N-OG1 3.13Å; D213-T216 WeakPolarHBondContact O-CB 3.5Å; D213-T216 PolarHBondContact O-N 3.23Å; D213-T216 PolarHBondContact O-OG1 3.09Å
217D91.7Very high90.9Very high68 Ų6864.3 Ų64.336%0.36434%0.34SS..  trans-146.3166.6169.172.754.4000111.5M212 Q219 S266 Y267M212-D217 VanDerWaalsContact CE-C 3.42Å; D217-Q219 WeakPolarHBondContact OD1-CB 3.25Å; D217-Q219 PolarHBondContact OD1-N 3.28Å; D217-S266 WeakPolarHBondContact OD2-CB 3.31Å; D217-S266 PolarHBondContact OD2-OG 3.31Å; D217-Y267 HydrophobicContact CB-CE1 4.25Å
218A93Very high90.5Very high2 Ų265.1 Ų65.12%0.01735%0.345CS..  trans-101.922.3-179.400000112.5L206 L209 M212 E220 I221 L222 Y267L206-A218 HydrophobicContact CD1-CB 3.9Å; L209-A218 HydrophobicContact CD2-CB 3.71Å; M212-A218 HydrophobicContact CE-CB 4.11Å; M212-A218 HydrophobicContact SD-CB 3.92Å; A218-E220 VanDerWaalsContact C-N 3.32Å; A218-E220 PolarHBondContact O-N 3.08Å; A218-I221 HydrophobicContact CB-CD1 4.26Å; A218-I221 PolarHBondContact O-N 3.02Å; A218-I221 VanDerWaalsContact O-N 3.08Å; A218-L222 PolarHBondContact O-N 2.85Å; A218-Y267 PolarHBondContact N-OH 3.44Å
219Q92.4Very high90.3Very high51 Ų5162.6 Ų62.624%0.23833%0.334CS..Hα-helixtrans-57.7-43.6-171.9-178.2-179.9-21.100111.6D217 I221 L222 E223 M270D217-Q219 WeakPolarHBondContact OD1-CB 3.25Å; D217-Q219 PolarHBondContact OD1-N 3.28Å; Q219-I221 PolarHBondContact O-N 3.46Å; Q219-L222 PolarHBondContact O-N 3Å; Q219-E223 HydrophobicContact CG-CG 4.14Å; Q219-E223 VanDerWaalsContact CG-OE2 3.32Å; Q219-E223 WeakPolarHBondContact CG-OE2 3.04Å; Q219-E223 VanDerWaalsContact NE2-CD 3.34Å; Q219-E223 PolarHBondContact NE2-OE1 3.04Å; Q219-E223 PolarHBondContact NE2-OE2 3.28Å; Q219-E223 VanDerWaalsContact O-CB 3.3Å; Q219-E223 WeakPolarHBondContact O-CB 3.42Å; Q219-E223 VanDerWaalsContact O-CG 3.29Å; Q219-E223 WeakPolarHBondContact O-CG 3.32Å; Q219-E223 PolarHBondContact O-N 2.75Å; Q219-M270 HydrophobicContact CG-CE 3.85Å
220E90.7Very high89.9Confident111 Ų11165 Ų6552%0.51934%0.343SS..Hα-helixtrans-65.1-27.3-179.5-52.1-153.5127.900113.7A218 R225 L226A218-E220 VanDerWaalsContact C-N 3.32Å; A218-E220 PolarHBondContact O-N 3.08Å; E220-R225 WeakPolarHBondContact O-CB 3.33Å; E220-R225 PolarHBondContact O-N 3.08Å; E220-R225 IonicContact OE1-NH2 2.69Å; E220-L226 PolarHBondContact O-N 2.57Å
221I92.6Very high89.7Confident22 Ų2263.4 Ų63.411%0.11333%0.332CS..Hα-helixtrans-78.8-48.3176.7-52.7168.2000109.7L183 L206 A218 Q219 E223 N224 L226 Y233L183-I221 HydrophobicContact CB-CD1 3.97Å; L183-I221 HydrophobicContact CD1-CD1 4.5Å; L183-I221 HydrophobicContact CD1-CG2 4.3Å; L183-I221 HydrophobicContact CD2-CB 4.37Å; L183-I221 HydrophobicContact CD2-CD1 4.06Å; L183-I221 HydrophobicContact CD2-CG1 4.02Å; L183-I221 HydrophobicContact CD2-CG2 3.46Å; L183-I221 VanDerWaalsContact CD2-CG2 3.46Å; L183-I221 HydrophobicContact CG-CD1 4.41Å; L183-I221 HydrophobicContact CG-CG2 4.46Å; L206-I221 HydrophobicContact CD1-CB 4Å; L206-I221 HydrophobicContact CD1-CD1 4.41Å; L206-I221 HydrophobicContact CD1-CG2 3.71Å; L206-I221 HydrophobicContact CD2-CG2 4.31Å; L206-I221 HydrophobicContact CG-CG2 4.35Å; A218-I221 HydrophobicContact CB-CD1 4.26Å; A218-I221 PolarHBondContact O-N 3.02Å; A218-I221 VanDerWaalsContact O-N 3.08Å; Q219-I221 PolarHBondContact O-N 3.46Å; I221-E223 PolarHBondContact O-N 3.29Å; I221-N224 WeakPolarHBondContact O-CA 3.32Å; I221-N224 PolarHBondContact O-N 3.27Å; I221-L226 HydrophobicContact CD1-CD2 4.32Å; I221-L226 HydrophobicContact CG1-CB 4.28Å; I221-L226 HydrophobicContact CG1-CD2 3.82Å; I221-Y233 HydrophobicContact CG2-CD1 3.85Å; I221-Y233 HydrophobicContact CG2-CD2 4.13Å; I221-Y233 HydrophobicContact CG2-CE1 3.98Å; I221-Y233 HydrophobicContact CG2-CE2 4.27Å; I221-Y233 HydrophobicContact CG2-CG 3.94Å; I221-Y233 VanDerWaalsContact O-CD2 3.28Å; I221-Y233 WeakPolarHBondContact O-CD2 3.48Å
222L93.2Very high89.7Confident13 Ų1359.8 Ų59.87%0.06832%0.317CS..Hα-helixtrans-66.2-27.2178.8-66.4179.5000112.8L206 L209 A218 Q219 N224 Y267 M270 M274L206-L222 HydrophobicContact CB-CD2 4.35Å; L206-L222 HydrophobicContact CD1-CD2 3.68Å; L206-L222 HydrophobicContact CD1-CG 4.03Å; L206-L222 HydrophobicContact CG-CD2 4.14Å; L209-L222 HydrophobicContact CD1-CD1 4.34Å; L209-L222 HydrophobicContact CD2-CD1 4.35Å; A218-L222 PolarHBondContact O-N 2.85Å; Q219-L222 PolarHBondContact O-N 3Å; L222-N224 PolarHBondContact O-N 3.03Å; L222-Y267 HydrophobicContact CD1-CD1 3.9Å; L222-Y267 HydrophobicContact CD1-CE1 3.81Å; L222-M270 HydrophobicContact CB-CE 4.29Å; L222-M270 HydrophobicContact CB-SD 3.61Å; L222-M270 HydrophobicContact CD1-SD 3.93Å; L222-M270 HydrophobicContact CG-SD 4.42Å; L222-M274 HydrophobicContact CB-CE 3.96Å; L222-M274 HydrophobicContact CD1-CE 4.44Å; L222-M274 HydrophobicContact CD1-SD 4.07Å; L222-M274 HydrophobicContact CD2-CE 4.06Å; L222-M274 HydrophobicContact CD2-SD 3.88Å; L222-M274 HydrophobicContact CG-CE 4.38Å; L222-M274 HydrophobicContact CG-SD 4.41Å
223E92.1Very high89.7Confident55 Ų5558.5 Ų58.526%0.25731%0.31SS..THydrogen-bonded Turntrans-83.67.1170.2-65.4-177.9145.800113.2Q219 I221 R225 H269 M270Q219-E223 HydrophobicContact CG-CG 4.14Å; Q219-E223 VanDerWaalsContact CG-OE2 3.32Å; Q219-E223 WeakPolarHBondContact CG-OE2 3.04Å; Q219-E223 VanDerWaalsContact NE2-CD 3.34Å; Q219-E223 PolarHBondContact NE2-OE1 3.04Å; Q219-E223 PolarHBondContact NE2-OE2 3.28Å; Q219-E223 VanDerWaalsContact O-CB 3.3Å; Q219-E223 WeakPolarHBondContact O-CB 3.42Å; Q219-E223 VanDerWaalsContact O-CG 3.29Å; Q219-E223 WeakPolarHBondContact O-CG 3.32Å; Q219-E223 PolarHBondContact O-N 2.75Å; I221-E223 PolarHBondContact O-N 3.29Å; E223-R225 HydrophobicContact CB-CG 4.49Å; E223-R225 PolarHBondContact O-N 2.7Å; E223-R225 IonicContact OE2-CZ 3.41Å; E223-R225 IonicContact OE2-NH1 3.51Å; E223-R225 PolarHBondContact OE2-NH1 3.14Å; E223-R225 IonicContact OE2-NH2 2.73Å; E223-R225 PolarHBondContact OE2-NH2 3.28Å; E223-H269 IonicContact OE1-CD2 3.08Å; E223-H269 IonicContact OE1-CE1 2.69Å; E223-H269 IonicContact OE1-NE2 3.16Å; E223-H269 PolarHBondContact OE1-NE2 3.46Å; E223-M270 HydrophobicContact CG-CE 3.58Å
224N91.1Very high90Very high41 Ų4152.6 Ų52.622%0.21928%0.279CS..THydrogen-bonded Turntrans59.229.4174.8-156.351.4000114I221 L222 L229 Y233I221-N224 WeakPolarHBondContact O-CA 3.32Å; I221-N224 PolarHBondContact O-N 3.27Å; L222-N224 PolarHBondContact O-N 3.03Å; N224-L229 PolarHBondContact ND2-O 3.3Å; N224-L229 PolarHBondContact OD1-N 3.17Å; N224-L229 PolarHBondContact OD1-O 2.77Å; N224-Y233 WeakPolarHBondContact OD1-CD2 3.32Å
225R88.5Confident90.4Very high135 Ų13543 Ų4351%0.50923%0.233SC..  trans-90.5-38.2-179.6-68.9-159.2-68.4-87.9-5.8113.8E220 E223E220-R225 WeakPolarHBondContact O-CB 3.33Å; E220-R225 PolarHBondContact O-N 3.08Å; E220-R225 IonicContact OE1-NH2 2.69Å; E223-R225 HydrophobicContact CB-CG 4.49Å; E223-R225 PolarHBondContact O-N 2.7Å; E223-R225 IonicContact OE2-CZ 3.41Å; E223-R225 IonicContact OE2-NH1 3.51Å; E223-R225 PolarHBondContact OE2-NH1 3.14Å; E223-R225 IonicContact OE2-NH2 2.73Å; E223-R225 PolarHBondContact OE2-NH2 3.28Å
226L84.3Confident90.7Very high83 Ų8338.7 Ų38.744%0.43519%0.189SC..SBendtrans-74.3-55.7-171.3-174.668.1000113.1L183 E220 I221L183-L226 HydrophobicContact CD2-CD2 4.44Å; E220-L226 PolarHBondContact O-N 2.57Å; I221-L226 HydrophobicContact CD1-CD2 4.32Å; I221-L226 HydrophobicContact CG1-CB 4.28Å; I221-L226 HydrophobicContact CG1-CD2 3.82Å
227L85Confident90.9Very high20 Ų2036.1 Ų36.111%0.10517%0.173CC..SBendtrans-13180.7179.9-166.6147.2000108L183 L189 K193 L229 Y233 W755L183-L227 HydrophobicContact CD2-CB 4.04Å; L189-L227 HydrophobicContact CD1-CD2 4.42Å; K193-L227 HydrophobicContact CD-CD2 4.49Å; L227-L229 HydrophobicContact CD2-CD2 4.48Å; L227-L229 PolarHBondContact O-N 2.96Å; L227-Y233 WeakPolarHBondContact CD2-OH 3.27Å; L227-Y233 WeakPolarHBondContact O-CE2 3.49Å; L227-Y233 PolarHBondContact O-OH 2.86Å; L227-Y233 VanDerWaalsContact O-OH 3.12Å; L227-W755 HydrophobicContact CD1-CH2 3.64Å; L227-W755 HydrophobicContact CD1-CZ2 4.18Å; L227-W755 HydrophobicContact CD1-CZ3 4.38Å; L227-W755 HydrophobicContact CD2-CZ2 4.48Å; L227-W755 HydrophobicContact CG-CH2 3.7Å; L227-W755 HydrophobicContact CG-CZ2 3.68Å
228P86.8Confident90.8Very high18 Ų1833.8 Ų33.812%0.11716%0.161CC..  trans-60.9129.1-168.520.1-32.6000113.6V751P228-V751 HydrophobicContact CB-CB 3.95Å; P228-V751 HydrophobicContact CB-CG1 3.43Å; P228-V751 VanDerWaalsContact CB-CG1 3.43Å; P228-V751 HydrophobicContact CB-CG2 4.35Å; P228-V751 HydrophobicContact CG-CB 4.49Å; P228-V751 HydrophobicContact CG-CG1 3.88Å
229L89.5Confident90.6Very high5 Ų534.4 Ų34.43%0.02616%0.163CC..  trans-109.7144.6167.1-66.1177.6000110.1L189 T202 N224 L227 R231 G232 Y233L189-L229 HydrophobicContact CD2-CD1 3.92Å; L189-L229 HydrophobicContact CD2-CD2 4.43Å; T202-L229 HydrophobicContact CG2-CD1 4.13Å; T202-L229 HydrophobicContact CG2-CD2 4.08Å; N224-L229 PolarHBondContact ND2-O 3.3Å; N224-L229 PolarHBondContact OD1-N 3.17Å; N224-L229 PolarHBondContact OD1-O 2.77Å; L227-L229 HydrophobicContact CD2-CD2 4.48Å; L227-L229 PolarHBondContact O-N 2.96Å; L229-R231 PolarHBondContact O-N 2.7Å; L229-G232 PolarHBondContact O-N 3.36Å; L229-Y233 HydrophobicContact CB-CE2 4.29Å; L229-Y233 HydrophobicContact CD1-CD2 4.44Å; L229-Y233 HydrophobicContact CD1-CE1 3.97Å; L229-Y233 HydrophobicContact CD1-CE2 3.79Å; L229-Y233 HydrophobicContact CG-CE2 3.81Å
230R85.7Confident90.2Very high56 Ų5633.9 Ų33.921%0.21117%0.165CC..THydrogen-bonded Turntrans-66.5-23.5180-160.5173.9178.9170.4-2.8113G199 L200 P748G199-R230 WeakPolarHBondContact O-CB 3.47Å; L200-R230 VanDerWaalsContact CD2-CD 3.49Å; R230-P748 HydrophobicContact CG-CG 4.34Å; R230-P748 PolarHBondContact NE-O 3.26Å; R230-P748 PolarHBondContact NH2-O 3.08Å; R230-P748 WeakPolarHBondContact O-CG 3.26Å
231R87.9Confident89.8Confident29 Ų2934 Ų3411%0.10917%0.165CC..THydrogen-bonded Turntrans-100.61.1174.3-53.9179.9178.3-104-5.7113.6L200 T202 I203 L229L200-R231 PolarHBondContact O-NE 3.44Å; L200-R231 PolarHBondContact O-NH2 3.48Å; T202-R231 WeakPolarHBondContact O-CB 3.34Å; I203-R231 HydrophobicContact CD1-CB 4.5Å; I203-R231 HydrophobicContact CG1-CB 3.7Å; I203-R231 VanDerWaalsContact CG1-CD 3.45Å; I203-R231 HydrophobicContact CG1-CG 4.19Å; L229-R231 PolarHBondContact O-N 2.7Å
232G91.2Very high89.5Confident15 Ų1543.3 Ų43.316%0.15520%0.199CC..  trans70.2-168.6179.200000115.1G204 L229G204-G232 PolarHBondContact N-O 3Å; L229-G232 PolarHBondContact O-N 3.36Å
233Y94.1Very high89.1Confident10 Ų1044.6 Ų44.64%0.03921%0.206CC..EExtended strand (participates in β ladder)trans-115145.4177.2-71.9-93.9000111.4L183 L189 G204 L206 I221 N224 L227 L229L183-Y233 HydrophobicContact CD1-CE1 4.42Å; L183-Y233 HydrophobicContact CD2-CE1 4.33Å; L189-Y233 HydrophobicContact CD1-CE1 4.11Å; L189-Y233 WeakPolarHBondContact CD1-OH 3.22Å; L189-Y233 HydrophobicContact CD2-CE1 4.32Å; G204-Y233 CarbonylContact O-C 3.49Å; G204-Y233 WeakPolarHBondContact O-CA 3.35Å; L206-Y233 HydrophobicContact CD2-CD1 4.23Å; L206-Y233 HydrophobicContact CG-CD1 4.23Å; I221-Y233 HydrophobicContact CG2-CD1 3.85Å; I221-Y233 HydrophobicContact CG2-CD2 4.13Å; I221-Y233 HydrophobicContact CG2-CE1 3.98Å; I221-Y233 HydrophobicContact CG2-CE2 4.27Å; I221-Y233 HydrophobicContact CG2-CG 3.94Å; I221-Y233 VanDerWaalsContact O-CD2 3.28Å; I221-Y233 WeakPolarHBondContact O-CD2 3.48Å; N224-Y233 WeakPolarHBondContact OD1-CD2 3.32Å; L227-Y233 WeakPolarHBondContact CD2-OH 3.27Å; L227-Y233 WeakPolarHBondContact O-CE2 3.49Å; L227-Y233 PolarHBondContact O-OH 2.86Å; L227-Y233 VanDerWaalsContact O-OH 3.12Å; L229-Y233 HydrophobicContact CB-CE2 4.29Å; L229-Y233 HydrophobicContact CD1-CD2 4.44Å; L229-Y233 HydrophobicContact CD1-CE1 3.97Å; L229-Y233 HydrophobicContact CD1-CE2 3.79Å; L229-Y233 HydrophobicContact CG-CE2 3.81Å
234I95.1Very high88.6Confident6 Ų643.2 Ų43.23%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-126.8120.8173.3-58.5172.1000108.5G204 V205 L206 Y278 L279 I282G204-I234 PolarHBondContact O-N 3.17Å; V205-I234 WeakPolarHBondContact CA-O 3.32Å; L206-I234 PolarHBondContact N-O 2.9Å; I234-Y278 HydrophobicContact CD1-CD1 3.88Å; I234-Y278 HydrophobicContact CD1-CE1 3.87Å; I234-Y278 HydrophobicContact CG1-CD1 4.15Å; I234-Y278 HydrophobicContact CG1-CE1 4.09Å; I234-Y278 HydrophobicContact CG2-CD1 4.1Å; I234-L279 HydrophobicContact CB-CD1 4.18Å; I234-L279 HydrophobicContact CD1-CD1 3.67Å; I234-L279 HydrophobicContact CG1-CD1 4.48Å; I234-L279 HydrophobicContact CG2-CB 4Å; I234-L279 HydrophobicContact CG2-CD1 4.32Å; I234-I282 HydrophobicContact CD1-CB 4.03Å; I234-I282 HydrophobicContact CD1-CG1 4.15Å; I234-I282 HydrophobicContact CD1-CG2 4.01Å
235G95.3Very high88.2Confident0 Ų046.6 Ų46.60%022%0.218CC..EExtended strand (participates in β ladder)trans-80138.5173.500000111.6L206 L209 F261 M274 G275L206-G235 CarbonylContact O-C 3.51Å; L206-G235 WeakPolarHBondContact O-CA 3.49Å; L209-G235 VanDerWaalsContact CD1-CA 3.49Å; G235-F261 WeakPolarHBondContact O-CZ 3.46Å; G235-M274 PolarHBondContact N-SD 3Å; G235-G275 WeakPolarHBondContact O-CA 3.2Å; G235-G275 PolarHBondContact O-N 3.31Å
236V94.9Very high88Confident0 Ų043.1 Ų43.10%022%0.224CC..  trans-134.9145.5174.6-61.40000110.9V48 V205 L206 T207 E257 L279V48-V236 HydrophobicContact CG2-CG2 4.17Å; V205-V236 HydrophobicContact CG1-CG1 4.4Å; V205-V236 HydrophobicContact CG1-CG2 3.74Å; L206-V236 PolarHBondContact O-N 3.24Å; T207-V236 HydrophobicContact CG2-CG2 3.84Å; V236-E257 WeakPolarHBondContact CA-OE1 3.38Å; V236-L279 HydrophobicContact CG1-CB 4.46Å; V236-L279 HydrophobicContact CG1-CD2 3.83Å
237V93.7Very high88Confident18 Ų1849.4 Ų49.411%0.10924%0.242CC..  trans-117.2111.4175.4179.90000108.3L209 D210 E257 F260 F261L209-V237 HydrophobicContact CB-CG2 4.34Å; D210-V237 HydrophobicContact CB-CG1 4.03Å; V237-E257 HydrophobicContact CB-CB 4.23Å; V237-E257 HydrophobicContact CB-CG 4.03Å; V237-E257 PolarHBondContact N-OE1 3.27Å; V237-F260 HydrophobicContact CG2-CD1 3.55Å; V237-F260 HydrophobicContact CG2-CE1 3.78Å; V237-F260 HydrophobicContact CG2-CG 4.1Å; V237-F260 HydrophobicContact CG2-CZ 4.5Å; V237-F261 HydrophobicContact CG2-CE2 4.16Å; V237-F261 HydrophobicContact CG2-CZ 4.14Å
238N90.4Very high87.9Confident19 Ų1951.6 Ų51.610%0.10225%0.251CS..PPolyproline II helixtrans-90.9164.4-176.1-64.8-25.7000110.7N51 S240N51-N238 PolarHBondContact ND2-OD1 3.26Å; N51-N238 VanDerWaalsContact ND2-OD1 3.1Å; N238-S240 PolarHBondContact O-N 3.31Å
239R87.4Confident87.7Confident16 Ų1654.9 Ų54.96%0.0627%0.267CS..PPolyproline II helixtrans-59.6129.7168-73.1179.4-68.8151.612.9109.8D56 D243 I244 K248 I250 A253D56-R239 IonicContact OD1-CZ 2.69Å; D56-R239 IonicContact OD1-NH1 3.93Å; D56-R239 IonicContact OD1-NH2 2.76Å; D56-R239 PolarHBondContact OD1-NH2 3.5Å; D56-R239 IonicContact OD2-CZ 3.11Å; D56-R239 VanDerWaalsContact OD2-CZ 3.26Å; D56-R239 IonicContact OD2-NH1 3.25Å; D56-R239 PolarHBondContact OD2-NH1 3.32Å; D56-R239 IonicContact OD2-NH2 3.39Å; D56-R239 PolarHBondContact OD2-NH2 3.32Å; R239-D243 HydrophobicContact CB-CB 3.79Å; R239-D243 HydrophobicContact CG-CB 4.15Å; R239-I244 HydrophobicContact CB-CG1 4.01Å; R239-K248 VanDerWaalsContact CD-O 3.26Å; R239-K248 WeakPolarHBondContact CD-O 3.43Å; R239-K248 PolarHBondContact NH1-O 2.85Å; R239-K248 VanDerWaalsContact NH1-O 3.09Å; R239-I250 VanDerWaalsContact CZ-CG1 3.43Å; R239-A253 HydrophobicContact CG-CB 3.46Å; R239-A253 VanDerWaalsContact CG-CB 3.46Å
240S84.8Confident87.1Confident40 Ų4055.3 Ų55.328%0.2827%0.269SS..PPolyproline II helixtrans-68.2166172.969.60000111N238 R242 D243 I244N238-S240 PolarHBondContact O-N 3.31Å; S240-R242 PolarHBondContact O-N 2.88Å; S240-D243 WeakPolarHBondContact CB-OD2 3.38Å; S240-D243 PolarHBondContact N-OD2 2.69Å; S240-D243 WeakPolarHBondContact O-CB 3.3Å; S240-D243 PolarHBondContact O-N 2.92Å; S240-D243 PolarHBondContact OG-N 2.73Å; S240-D243 PolarHBondContact OG-OD2 3.44Å; S240-I244 WeakPolarHBondContact O-CG1 3.33Å; S240-I244 PolarHBondContact O-N 2.89Å
241Q82.6Confident87Confident113 Ų11357 Ų5753%0.52829%0.286SS..Hα-helixtrans-56.1-39.4175.7-170.96149.100111.6D243 I244 D245Q241-D243 PolarHBondContact O-N 3.35Å; Q241-I244 PolarHBondContact O-N 3.21Å; Q241-D245 PolarHBondContact NE2-OD1 3.34Å; Q241-D245 WeakPolarHBondContact O-CB 3.46Å; Q241-D245 PolarHBondContact O-N 3.16Å
242R85.4Confident87Confident217 Ų21757.4 Ų57.482%0.81930%0.296SS*.Hα-helixtrans-64.3-37.1175.4-65.4-178.6-179.5170.51.2112.9S240 I244 G246S240-R242 PolarHBondContact O-N 2.88Å; R242-I244 VanDerWaalsContact C-N 3.34Å; R242-G246 PolarHBondContact O-N 3.06Å
243D85.6Confident86.7Confident40 Ų4057.1 Ų57.121%0.21429%0.292CS..Hα-helixtrans-66.9-36.7174.8-65.6-58000111.5R239 S240 Q241 G246 R247 K248R239-D243 HydrophobicContact CB-CB 3.79Å; R239-D243 HydrophobicContact CG-CB 4.15Å; S240-D243 WeakPolarHBondContact CB-OD2 3.38Å; S240-D243 PolarHBondContact N-OD2 2.69Å; S240-D243 WeakPolarHBondContact O-CB 3.3Å; S240-D243 PolarHBondContact O-N 2.92Å; S240-D243 PolarHBondContact OG-N 2.73Å; S240-D243 PolarHBondContact OG-OD2 3.44Å; Q241-D243 PolarHBondContact O-N 3.35Å; D243-G246 CarbonylContact O-C 3.58Å; D243-R247 PolarHBondContact O-N 2.81Å; D243-R247 VanDerWaalsContact O-N 3.15Å; D243-K248 HydrophobicContact CB-CB 3.95Å; D243-K248 HydrophobicContact CB-CD 3.7Å; D243-K248 VanDerWaalsContact CG-CD 3.49Å; D243-K248 VanDerWaalsContact O-CB 3.3Å; D243-K248 WeakPolarHBondContact O-CB 3.45Å; D243-K248 PolarHBondContact O-N 3.27Å; D243-K248 WeakPolarHBondContact OD1-CD 3.15Å; D243-K248 WeakPolarHBondContact OD1-CE 3.33Å; D243-K248 IonicContact OD1-NZ 3.58Å; D243-K248 PolarHBondContact OD1-NZ 3.36Å; D243-K248 IonicContact OD2-NZ 3.42Å
244I81.5Confident86.4Confident26 Ų2659 Ų5913%0.13330%0.303CS..Hα-helixtrans-70.2-50177.8-65.8156.6000110.3R239 S240 Q241 R242 G246 R247R239-I244 HydrophobicContact CB-CG1 4.01Å; S240-I244 WeakPolarHBondContact O-CG1 3.33Å; S240-I244 PolarHBondContact O-N 2.89Å; Q241-I244 PolarHBondContact O-N 3.21Å; R242-I244 VanDerWaalsContact C-N 3.34Å; I244-G246 PolarHBondContact O-N 2.97Å; I244-R247 WeakPolarHBondContact O-CA 3.48Å; I244-R247 PolarHBondContact O-N 2.68Å
245D83.1Confident86.1Confident113 Ų11364.4 Ų64.460%0.60433%0.328SS*.Hα-helixtrans-60-38177-59.3-21.4000110.9Q241 R247Q241-D245 PolarHBondContact NE2-OD1 3.34Å; Q241-D245 WeakPolarHBondContact O-CB 3.46Å; Q241-D245 PolarHBondContact O-N 3.16Å; D245-R247 VanDerWaalsContact C-N 3.26Å; D245-R247 PolarHBondContact O-N 3.37Å
246G84.8Confident86Confident61 Ų6165.8 Ų65.863%0.62934%0.339SS*.THydrogen-bonded Turntrans-78.53.4173.300000115.4R242 D243 I244 K248R242-G246 PolarHBondContact O-N 3.06Å; D243-G246 CarbonylContact O-C 3.58Å; I244-G246 PolarHBondContact O-N 2.97Å; G246-K248 VanDerWaalsContact C-N 3.27Å; G246-K248 PolarHBondContact O-N 2.79Å
247R82.6Confident85.9Confident215 Ų21566 Ų6681%0.81134%0.34SS*.THydrogen-bonded Turntrans50.240.4-179-59.5-176.6176.4-168.5-5114.3D243 I244 D245 D249D243-R247 PolarHBondContact O-N 2.81Å; D243-R247 VanDerWaalsContact O-N 3.15Å; I244-R247 WeakPolarHBondContact O-CA 3.48Å; I244-R247 PolarHBondContact O-N 2.68Å; D245-R247 VanDerWaalsContact C-N 3.26Å; D245-R247 PolarHBondContact O-N 3.37Å; R247-D249 PolarHBondContact O-N 2.64Å
248K83.2Confident85.9Confident66 Ų6669.9 Ų69.929%0.28735%0.353SS..  trans-58.6125.7174.7-176.4176.9-176-179.60109.9R239 D243 G246 A252R239-K248 VanDerWaalsContact CD-O 3.26Å; R239-K248 WeakPolarHBondContact CD-O 3.43Å; R239-K248 PolarHBondContact NH1-O 2.85Å; R239-K248 VanDerWaalsContact NH1-O 3.09Å; D243-K248 HydrophobicContact CB-CB 3.95Å; D243-K248 HydrophobicContact CB-CD 3.7Å; D243-K248 VanDerWaalsContact CG-CD 3.49Å; D243-K248 VanDerWaalsContact O-CB 3.3Å; D243-K248 WeakPolarHBondContact O-CB 3.45Å; D243-K248 PolarHBondContact O-N 3.27Å; D243-K248 WeakPolarHBondContact OD1-CD 3.15Å; D243-K248 WeakPolarHBondContact OD1-CE 3.33Å; D243-K248 IonicContact OD1-NZ 3.58Å; D243-K248 PolarHBondContact OD1-NZ 3.36Å; D243-K248 IonicContact OD2-NZ 3.42Å; G246-K248 VanDerWaalsContact C-N 3.27Å; G246-K248 PolarHBondContact O-N 2.79Å; K248-A252 HydrophobicContact CG-CB 4.48Å
249D83.4Confident86.1Confident87 Ų8776.3 Ų76.347%0.46538%0.376SS..  trans-61.6148.2178.9-179.754.9000112R247 T251 A252 A253R247-D249 PolarHBondContact O-N 2.64Å; D249-T251 VanDerWaalsContact OD2-CB 3.28Å; D249-T251 WeakPolarHBondContact OD2-CB 3.48Å; D249-T251 WeakPolarHBondContact OD2-CG2 3.32Å; D249-T251 PolarHBondContact OD2-N 3.33Å; D249-T251 PolarHBondContact OD2-OG1 2.88Å; D249-A252 PolarHBondContact O-N 3.1Å; D249-A253 PolarHBondContact O-N 3Å
250I77.5Confident86.4Confident14 Ų1477.5 Ų77.57%0.07238%0.381CS..Hα-helixtrans-72.6-29.8-175-70164.1000111.2G54 R239 A253 L254G54-I250 WeakPolarHBondContact O-CD1 3.41Å; R239-I250 VanDerWaalsContact CZ-CG1 3.43Å; I250-A253 WeakPolarHBondContact O-CB 3.35Å; I250-A253 PolarHBondContact O-N 3.35Å; I250-L254 HydrophobicContact CG2-CD1 4.36Å; I250-L254 HydrophobicContact CG2-CG 4.42Å; I250-L254 WeakPolarHBondContact O-CG 3.34Å; I250-L254 PolarHBondContact O-N 3.05Å
251T82.2Confident86.9Confident91 Ų9175.7 Ų75.756%0.55837%0.369SS*.Hα-helixtrans-64.8-44.2173.571.20000110.8D249 A253 L254 E255D249-T251 VanDerWaalsContact OD2-CB 3.28Å; D249-T251 WeakPolarHBondContact OD2-CB 3.48Å; D249-T251 WeakPolarHBondContact OD2-CG2 3.32Å; D249-T251 PolarHBondContact OD2-N 3.33Å; D249-T251 PolarHBondContact OD2-OG1 2.88Å; T251-A253 VanDerWaalsContact C-N 3.26Å; T251-A253 PolarHBondContact O-N 3.2Å; T251-L254 PolarHBondContact O-N 3.49Å; T251-E255 PolarHBondContact O-N 2.91Å
252A87.6Confident87.5Confident39 Ų3973.5 Ų73.532%0.32236%0.36SS..Hα-helixtrans-64.4-28.117400000113K248 D249 A256K248-A252 HydrophobicContact CG-CB 4.48Å; D249-A252 PolarHBondContact O-N 3.1Å; A252-A256 WeakPolarHBondContact O-CB 3.48Å; A252-A256 PolarHBondContact O-N 2.97Å; A252-A256 VanDerWaalsContact O-N 3.08Å
253A86.5Confident87.9Confident9 Ų967.1 Ų67.17%0.07435%0.349CS..Hα-helixtrans-71.7-44.2172.200000112.4R239 D249 I250 T251 E255 A256 E257R239-A253 HydrophobicContact CG-CB 3.46Å; R239-A253 VanDerWaalsContact CG-CB 3.46Å; D249-A253 PolarHBondContact O-N 3Å; I250-A253 WeakPolarHBondContact O-CB 3.35Å; I250-A253 PolarHBondContact O-N 3.35Å; T251-A253 VanDerWaalsContact C-N 3.26Å; T251-A253 PolarHBondContact O-N 3.2Å; A253-E255 VanDerWaalsContact C-N 3.34Å; A253-E255 PolarHBondContact O-N 2.93Å; A253-A256 PolarHBondContact O-N 3.42Å; A253-A256 VanDerWaalsContact O-N 3.17Å; A253-E257 WeakPolarHBondContact O-CB 3.33Å; A253-E257 PolarHBondContact O-N 3.15Å
254L86.5Confident88.3Confident50 Ų5067.3 Ų67.326%0.26235%0.349SS..Hα-helixtrans-63.9-37.7175.3-67.2173000112I250 T251 R258 T276 P277I250-L254 HydrophobicContact CG2-CD1 4.36Å; I250-L254 HydrophobicContact CG2-CG 4.42Å; I250-L254 WeakPolarHBondContact O-CG 3.34Å; I250-L254 PolarHBondContact O-N 3.05Å; T251-L254 PolarHBondContact O-N 3.49Å; L254-R258 WeakPolarHBondContact O-CB 3.45Å; L254-R258 PolarHBondContact O-N 3.47Å; L254-T276 HydrophobicContact CD2-CG2 4.12Å; L254-P277 HydrophobicContact CD2-CG 4.16Å
255E90.1Very high88.8Confident118 Ų11871.2 Ų71.255%0.55138%0.376SS*.Hα-helixtrans-64-40.9171-74.5-171.4-175.100112.6T251 A253 R258 R259T251-E255 PolarHBondContact O-N 2.91Å; A253-E255 VanDerWaalsContact C-N 3.34Å; A253-E255 PolarHBondContact O-N 2.93Å; E255-R258 PolarHBondContact O-N 3.42Å; E255-R259 VanDerWaalsContact O-CB 3.27Å; E255-R259 WeakPolarHBondContact O-CB 3.44Å; E255-R259 PolarHBondContact O-N 2.9Å; E255-R259 IonicContact OE2-NH2 2.72Å
256A91.7Very high89.2Confident30 Ų3066.8 Ų66.825%0.24835%0.354CS..Hα-helixtrans-66.5-41.9176.900000111.9A252 A253 R259 F260A252-A256 WeakPolarHBondContact O-CB 3.48Å; A252-A256 PolarHBondContact O-N 2.97Å; A252-A256 VanDerWaalsContact O-N 3.08Å; A253-A256 PolarHBondContact O-N 3.42Å; A253-A256 VanDerWaalsContact O-N 3.17Å; A256-R259 PolarHBondContact O-N 2.94Å; A256-F260 WeakPolarHBondContact O-CB 3.41Å; A256-F260 PolarHBondContact O-N 2.91Å
257E93.9Very high89.7Confident3 Ų364 Ų641%0.01432%0.324CS..Hα-helixtrans-58.3-50.8172.7177.1-178.4-122.500111V236 V237 A253 R259 F260 F261 G275 T276V236-E257 WeakPolarHBondContact CA-OE1 3.38Å; V237-E257 HydrophobicContact CB-CB 4.23Å; V237-E257 HydrophobicContact CB-CG 4.03Å; V237-E257 PolarHBondContact N-OE1 3.27Å; A253-E257 WeakPolarHBondContact O-CB 3.33Å; A253-E257 PolarHBondContact O-N 3.15Å; E257-R259 VanDerWaalsContact C-N 3.29Å; E257-R259 PolarHBondContact O-N 3.23Å; E257-F260 WeakPolarHBondContact O-CB 3.3Å; E257-F260 PolarHBondContact O-N 3.42Å; E257-F261 HydrophobicContact CG-CD2 3.94Å; E257-F261 HydrophobicContact CG-CE2 3.67Å; E257-F261 VanDerWaalsContact O-CD2 3.24Å; E257-F261 WeakPolarHBondContact O-CD2 3.45Å; E257-F261 PolarHBondContact O-N 2.85Å; E257-F261 VanDerWaalsContact O-N 3.12Å; E257-G275 WeakPolarHBondContact OE1-CA 3.22Å; E257-G275 WeakPolarHBondContact OE2-CA 3.38Å; E257-T276 VanDerWaalsContact CD-N 3.27Å; E257-T276 PolarHBondContact OE1-N 3.05Å; E257-T276 VanDerWaalsContact OE1-N 3.1Å; E257-T276 PolarHBondContact OE1-OG1 3.35Å; E257-T276 VanDerWaalsContact OE1-OG1 3.14Å; E257-T276 WeakPolarHBondContact OE2-CB 3.47Å; E257-T276 PolarHBondContact OE2-N 3.31Å; E257-T276 PolarHBondContact OE2-OG1 3.35Å
258R92.9Very high90.2Very high101 Ų10161.6 Ų61.638%0.38132%0.315SS..Hα-helixtrans-62.6-37.1177.8-177.357.8175.2178.61.9111.9L254 E255 L262 A271 D272L254-R258 WeakPolarHBondContact O-CB 3.45Å; L254-R258 PolarHBondContact O-N 3.47Å; E255-R258 PolarHBondContact O-N 3.42Å; R258-L262 HydrophobicContact CG-CD1 4.1Å; R258-L262 VanDerWaalsContact O-CG 3.29Å; R258-L262 WeakPolarHBondContact O-CG 3.28Å; R258-L262 PolarHBondContact O-N 3.35Å; R258-A271 VanDerWaalsContact NH1-C 3.27Å; R258-A271 PolarHBondContact NH1-O 2.86Å; R258-D272 IonicContact CZ-OD1 2.68Å; R258-D272 IonicContact NH1-OD1 3.58Å; R258-D272 PolarHBondContact NH1-OD1 3.35Å; R258-D272 IonicContact NH2-OD1 3.29Å; R258-D272 PolarHBondContact NH2-OD1 2.85Å
259R94.6Very high90.7Very high154 Ų15463.5 Ų63.558%0.58133%0.325SS*.Hα-helixtrans-64.3-47.1175.2-168.4177-61.5122.57.9111.1E255 A256 E257 F261 L262 S263E255-R259 VanDerWaalsContact O-CB 3.27Å; E255-R259 WeakPolarHBondContact O-CB 3.44Å; E255-R259 PolarHBondContact O-N 2.9Å; E255-R259 IonicContact OE2-NH2 2.72Å; A256-R259 PolarHBondContact O-N 2.94Å; E257-R259 VanDerWaalsContact C-N 3.29Å; E257-R259 PolarHBondContact O-N 3.23Å; R259-F261 PolarHBondContact O-N 3.03Å; R259-L262 PolarHBondContact O-N 2.83Å; R259-S263 WeakPolarHBondContact O-CB 3.11Å; R259-S263 PolarHBondContact O-N 2.87Å; R259-S263 PolarHBondContact O-OG 3.36Å
260F94.5Very high91.1Very high40 Ų4059.5 Ų59.518%0.17530%0.303CS..Hα-helixtrans-53-54176.7171.8-93000111.7L209 D210 V237 A256 E257 L262 S263 H264 Y267L209-F260 HydrophobicContact CB-CE1 3.92Å; L209-F260 HydrophobicContact CB-CZ 4Å; L209-F260 WeakPolarHBondContact O-CZ 3.37Å; D210-F260 HydrophobicContact CB-CE2 4.17Å; V237-F260 HydrophobicContact CG2-CD1 3.55Å; V237-F260 HydrophobicContact CG2-CE1 3.78Å; V237-F260 HydrophobicContact CG2-CG 4.1Å; V237-F260 HydrophobicContact CG2-CZ 4.5Å; A256-F260 WeakPolarHBondContact O-CB 3.41Å; A256-F260 PolarHBondContact O-N 2.91Å; E257-F260 WeakPolarHBondContact O-CB 3.3Å; E257-F260 PolarHBondContact O-N 3.42Å; F260-L262 VanDerWaalsContact C-N 3.29Å; F260-L262 PolarHBondContact O-N 3.39Å; F260-S263 PolarHBondContact O-N 3.41Å; F260-S263 PolarHBondContact O-OG 3.32Å; F260-S263 VanDerWaalsContact O-OG 3.09Å; F260-H264 WeakPolarHBondContact O-CB 3.49Å; F260-H264 PolarHBondContact O-N 3.2Å; F260-Y267 AromaticContact CE1-CD2 3.88Å; F260-Y267 HydrophobicContact CE1-CD2 3.88Å; F260-Y267 AromaticContact CE1-CE2 3.97Å; F260-Y267 HydrophobicContact CE1-CE2 3.97Å; F260-Y267 HydrophobicContact CZ-CD2 4.23Å; F260-Y267 AromaticContact CZ-CE2 3.99Å; F260-Y267 HydrophobicContact CZ-CE2 3.99Å
261F95.3Very high91.8Very high2 Ų258.9 Ų58.91%0.00930%0.3CS..Hα-helixtrans-64.1-30.7-179.2-73.5-63.9000113.7L209 G235 V237 E257 R259 Y267 R268 A271 M274L209-F261 HydrophobicContact CD1-CE1 3.87Å; L209-F261 HydrophobicContact CD1-CZ 3.81Å; G235-F261 WeakPolarHBondContact O-CZ 3.46Å; V237-F261 HydrophobicContact CG2-CE2 4.16Å; V237-F261 HydrophobicContact CG2-CZ 4.14Å; E257-F261 HydrophobicContact CG-CD2 3.94Å; E257-F261 HydrophobicContact CG-CE2 3.67Å; E257-F261 VanDerWaalsContact O-CD2 3.24Å; E257-F261 WeakPolarHBondContact O-CD2 3.45Å; E257-F261 PolarHBondContact O-N 2.85Å; E257-F261 VanDerWaalsContact O-N 3.12Å; R259-F261 PolarHBondContact O-N 3.03Å; F261-Y267 HydrophobicContact CD1-CD2 4.3Å; F261-Y267 HydrophobicContact CD1-CG 4.41Å; F261-Y267 HydrophobicContact CE1-CD2 4.43Å; F261-R268 WeakPolarHBondContact O-CA 3.45Å; F261-A271 HydrophobicContact CB-CB 3.83Å; F261-M274 HydrophobicContact CD1-CB 3.74Å; F261-M274 HydrophobicContact CD1-CG 4.12Å; F261-M274 HydrophobicContact CD2-CB 3.98Å; F261-M274 HydrophobicContact CE1-CB 3.73Å; F261-M274 HydrophobicContact CE1-CG 4.05Å; F261-M274 HydrophobicContact CE2-CB 3.97Å; F261-M274 HydrophobicContact CG-CB 3.89Å; F261-M274 HydrophobicContact CZ-CB 3.86Å
262L94.7Very high92.2Very high67 Ų6760 Ų6035%0.35130%0.303SS..Hα-helixtrans-80.2-26.7176.6-70.3173.6000113.7R258 R259 F260 R268 A271R258-L262 HydrophobicContact CG-CD1 4.1Å; R258-L262 VanDerWaalsContact O-CG 3.29Å; R258-L262 WeakPolarHBondContact O-CG 3.28Å; R258-L262 PolarHBondContact O-N 3.35Å; R259-L262 PolarHBondContact O-N 2.83Å; F260-L262 VanDerWaalsContact C-N 3.29Å; F260-L262 PolarHBondContact O-N 3.39Å; L262-R268 PolarHBondContact O-NH1 3.26Å; L262-A271 HydrophobicContact CD2-CB 3.86Å; L262-A271 HydrophobicContact CG-CB 4.39Å
263S94.1Very high92.4Very high84 Ų8464.2 Ų64.259%0.58731%0.31SS*.Hα-helixtrans-89.2-28.3178.257.60000114R259 F260R259-S263 WeakPolarHBondContact O-CB 3.11Å; R259-S263 PolarHBondContact O-N 2.87Å; R259-S263 PolarHBondContact O-OG 3.36Å; F260-S263 PolarHBondContact O-N 3.41Å; F260-S263 PolarHBondContact O-OG 3.32Å; F260-S263 VanDerWaalsContact O-OG 3.09Å
264H92.8Very high92.7Very high44 Ų4464.3 Ų64.320%0.20431%0.31CS..  trans-73.2125.3-175.5-164.1-82.4000111.5F260 S266 Y267 R268F260-H264 WeakPolarHBondContact O-CB 3.49Å; F260-H264 PolarHBondContact O-N 3.2Å; H264-S266 PolarHBondContact ND1-N 3.45Å; H264-S266 PolarHBondContact O-N 3.27Å; H264-Y267 HydrophobicContact CB-CD2 3.71Å; H264-Y267 HydrophobicContact CB-CE2 4.47Å; H264-Y267 HydrophobicContact CB-CG 4.34Å; H264-Y267 AromaticContact CE1-CD2 3.89Å; H264-Y267 AromaticContact CE1-CE2 3.59Å; H264-Y267 AromaticContact CE1-CZ 3.98Å; H264-Y267 AromaticContact CG-CD2 3.39Å; H264-Y267 AromaticContact CG-CE2 3.73Å; H264-Y267 AromaticContact ND1-CD2 3.24Å; H264-Y267 WeakPolarHBondContact ND1-CD2 3.29Å; H264-Y267 AromaticContact ND1-CE2 3.45Å; H264-Y267 WeakPolarHBondContact ND1-CE2 3.3Å; H264-Y267 AromaticContact ND1-CG 3.71Å; H264-Y267 AromaticContact NE2-CE2 3.94Å; H264-Y267 PolarHBondContact O-N 3.23Å; H264-R268 WeakPolarHBondContact O-CB 3.47Å; H264-R268 PolarHBondContact O-N 3.16Å
265P92.5Very high93Very high108 Ų10862 Ų6270%0.70130%0.298SS*.THydrogen-bonded Turntrans-59-46.1-17322-32.5000112.6Y267P265-Y267 VanDerWaalsContact C-N 3.3Å; P265-Y267 PolarHBondContact O-N 3.43Å
266S92.6Very high93Very high20 Ų2056.5 Ų56.514%0.1427%0.272CS..THydrogen-bonded Turntrans-74.8-10.7-177.6-32.70000115.2D217 H264 H269D217-S266 WeakPolarHBondContact OD2-CB 3.31Å; D217-S266 PolarHBondContact OD2-OG 3.31Å; H264-S266 PolarHBondContact ND1-N 3.45Å; H264-S266 PolarHBondContact O-N 3.27Å; S266-H269 PolarHBondContact O-CE1 2.96Å; S266-H269 VanDerWaalsContact O-CE1 3.23Å
267Y94.5Very high92.7Very high1 Ų158.5 Ų58.50%0.00428%0.283CS..THydrogen-bonded Turntrans-118.1-11-175.9-50.2-40.4000114.1L209 D217 A218 L222 F260 F261 H264 P265 H269 M270 A271L209-Y267 HydrophobicContact CD2-CE2 4.44Å; D217-Y267 HydrophobicContact CB-CE1 4.25Å; A218-Y267 PolarHBondContact N-OH 3.44Å; L222-Y267 HydrophobicContact CD1-CD1 3.9Å; L222-Y267 HydrophobicContact CD1-CE1 3.81Å; F260-Y267 AromaticContact CE1-CD2 3.88Å; F260-Y267 HydrophobicContact CE1-CD2 3.88Å; F260-Y267 AromaticContact CE1-CE2 3.97Å; F260-Y267 HydrophobicContact CE1-CE2 3.97Å; F260-Y267 HydrophobicContact CZ-CD2 4.23Å; F260-Y267 AromaticContact CZ-CE2 3.99Å; F260-Y267 HydrophobicContact CZ-CE2 3.99Å; F261-Y267 HydrophobicContact CD1-CD2 4.3Å; F261-Y267 HydrophobicContact CD1-CG 4.41Å; F261-Y267 HydrophobicContact CE1-CD2 4.43Å; H264-Y267 HydrophobicContact CB-CD2 3.71Å; H264-Y267 HydrophobicContact CB-CE2 4.47Å; H264-Y267 HydrophobicContact CB-CG 4.34Å; H264-Y267 AromaticContact CE1-CD2 3.89Å; H264-Y267 AromaticContact CE1-CE2 3.59Å; H264-Y267 AromaticContact CE1-CZ 3.98Å; H264-Y267 AromaticContact CG-CD2 3.39Å; H264-Y267 AromaticContact CG-CE2 3.73Å; H264-Y267 AromaticContact ND1-CD2 3.24Å; H264-Y267 WeakPolarHBondContact ND1-CD2 3.29Å; H264-Y267 AromaticContact ND1-CE2 3.45Å; H264-Y267 WeakPolarHBondContact ND1-CE2 3.3Å; H264-Y267 AromaticContact ND1-CG 3.71Å; H264-Y267 AromaticContact NE2-CE2 3.94Å; H264-Y267 PolarHBondContact O-N 3.23Å; P265-Y267 VanDerWaalsContact C-N 3.3Å; P265-Y267 PolarHBondContact O-N 3.43Å; Y267-H269 VanDerWaalsContact C-N 3.28Å; Y267-H269 PolarHBondContact O-N 2.92Å; Y267-M270 HydrophobicContact CD1-CE 4.48Å; Y267-M270 HydrophobicContact CD1-SD 4.22Å; Y267-M270 CarbonylContact O-C 3.54Å; Y267-M270 WeakPolarHBondContact O-CG 3.45Å; Y267-M270 PolarHBondContact O-N 3.39Å; Y267-A271 PolarHBondContact O-N 2.76Å
268R93.1Very high92.5Very high166 Ų16661.5 Ų61.563%0.62630%0.295SS*.THydrogen-bonded Turntrans-55-38-174.3-178.4-179.9174.396.7-6.3114F261 L262 H264 M270F261-R268 WeakPolarHBondContact O-CA 3.45Å; L262-R268 PolarHBondContact O-NH1 3.26Å; H264-R268 WeakPolarHBondContact O-CB 3.47Å; H264-R268 PolarHBondContact O-N 3.16Å; R268-M270 VanDerWaalsContact C-N 3.3Å; R268-M270 PolarHBondContact O-N 2.73Å
269H92.8Very high92.4Very high106 Ų10656.7 Ų56.749%0.49128%0.276SS..THydrogen-bonded Turntrans-77.5-12.4179.965.3-65.6000114.2E223 S266 Y267E223-H269 IonicContact OE1-CD2 3.08Å; E223-H269 IonicContact OE1-CE1 2.69Å; E223-H269 IonicContact OE1-NE2 3.16Å; E223-H269 PolarHBondContact OE1-NE2 3.46Å; S266-H269 PolarHBondContact O-CE1 2.96Å; S266-H269 VanDerWaalsContact O-CE1 3.23Å; Y267-H269 VanDerWaalsContact C-N 3.28Å; Y267-H269 PolarHBondContact O-N 2.92Å
270M92.7Very high91.8Very high2 Ų251.4 Ų51.41%0.0126%0.258CS..THydrogen-bonded Turntrans-113.50.5178.264.2175.481.800113.5Q219 L222 E223 Y267 R268 D272 R273 M274Q219-M270 HydrophobicContact CG-CE 3.85Å; L222-M270 HydrophobicContact CB-CE 4.29Å; L222-M270 HydrophobicContact CB-SD 3.61Å; L222-M270 HydrophobicContact CD1-SD 3.93Å; L222-M270 HydrophobicContact CG-SD 4.42Å; E223-M270 HydrophobicContact CG-CE 3.58Å; Y267-M270 HydrophobicContact CD1-CE 4.48Å; Y267-M270 HydrophobicContact CD1-SD 4.22Å; Y267-M270 CarbonylContact O-C 3.54Å; Y267-M270 WeakPolarHBondContact O-CG 3.45Å; Y267-M270 PolarHBondContact O-N 3.39Å; R268-M270 VanDerWaalsContact C-N 3.3Å; R268-M270 PolarHBondContact O-N 2.73Å; M270-D272 PolarHBondContact O-N 3.28Å; M270-R273 WeakPolarHBondContact O-CA 3.39Å; M270-R273 PolarHBondContact O-N 3.34Å; M270-M274 HydrophobicContact CB-CE 4.45Å; M270-M274 HydrophobicContact CG-CE 4.33Å; M270-M274 HydrophobicContact CG-CG 4.1Å; M270-M274 WeakPolarHBondContact O-CG 3.22Å; M270-M274 HydrophobicContact SD-CE 3.78Å; M270-M274 HydrophobicContact SD-CG 4.4Å; M270-M274 HydrophobicContact SD-SD 4.49Å
271A92.2Very high91.1Very high2 Ų256.7 Ų56.72%0.01728%0.277CS..G310 helixtrans-53.1-26.9-173.800000115.2R258 F261 L262 Y267 R273 M274R258-A271 VanDerWaalsContact NH1-C 3.27Å; R258-A271 PolarHBondContact NH1-O 2.86Å; F261-A271 HydrophobicContact CB-CB 3.83Å; L262-A271 HydrophobicContact CD2-CB 3.86Å; L262-A271 HydrophobicContact CG-CB 4.39Å; Y267-A271 PolarHBondContact O-N 2.76Å; A271-R273 VanDerWaalsContact C-N 3.31Å; A271-M274 PolarHBondContact O-N 3.1Å
272D91.3Very high90.6Very high115 Ų11557.4 Ų57.462%0.61528%0.281SS*.G310 helixtrans-79-10.7176.6-65.1-23.4000114.4R258 M270 Y278R258-D272 IonicContact CZ-OD1 2.68Å; R258-D272 IonicContact NH1-OD1 3.58Å; R258-D272 PolarHBondContact NH1-OD1 3.35Å; R258-D272 IonicContact NH2-OD1 3.29Å; R258-D272 PolarHBondContact NH2-OD1 2.85Å; M270-D272 PolarHBondContact O-N 3.28Å; D272-Y278 VanDerWaalsContact O-CD2 3.32Å; D272-Y278 WeakPolarHBondContact O-CD2 3.41Å
273R91.4Very high90Very high126 Ų12654.2 Ų54.248%0.47526%0.264SS..G310 helixtrans-10916.3172.2-58.6-170.2-60.8-83.2-0.5112.3M270 A271 Y278M270-R273 WeakPolarHBondContact O-CA 3.39Å; M270-R273 PolarHBondContact O-N 3.34Å; A271-R273 VanDerWaalsContact C-N 3.31Å; R273-Y278 HydrophobicContact CB-CD1 4.44Å; R273-Y278 HydrophobicContact CB-CE1 3.9Å; R273-Y278 HydrophobicContact CB-CE2 4.34Å; R273-Y278 HydrophobicContact CG-CE2 4.34Å; R273-Y278 WeakPolarHBondContact O-CD1 3.44Å; R273-Y278 WeakPolarHBondContact O-CE1 3.45Å
274M93.3Very high89Confident12 Ų1251.1 Ų51.16%0.05924%0.241CC..  trans-128.2163.3-176.3-62.3-63.2145.800110.6L222 G235 F261 M270 A271L222-M274 HydrophobicContact CB-CE 3.96Å; L222-M274 HydrophobicContact CD1-CE 4.44Å; L222-M274 HydrophobicContact CD1-SD 4.07Å; L222-M274 HydrophobicContact CD2-CE 4.06Å; L222-M274 HydrophobicContact CD2-SD 3.88Å; L222-M274 HydrophobicContact CG-CE 4.38Å; L222-M274 HydrophobicContact CG-SD 4.41Å; G235-M274 PolarHBondContact N-SD 3Å; F261-M274 HydrophobicContact CD1-CB 3.74Å; F261-M274 HydrophobicContact CD1-CG 4.12Å; F261-M274 HydrophobicContact CD2-CB 3.98Å; F261-M274 HydrophobicContact CE1-CB 3.73Å; F261-M274 HydrophobicContact CE1-CG 4.05Å; F261-M274 HydrophobicContact CE2-CB 3.97Å; F261-M274 HydrophobicContact CG-CB 3.89Å; F261-M274 HydrophobicContact CZ-CB 3.86Å; M270-M274 HydrophobicContact CB-CE 4.45Å; M270-M274 HydrophobicContact CG-CE 4.33Å; M270-M274 HydrophobicContact CG-CG 4.1Å; M270-M274 WeakPolarHBondContact O-CG 3.22Å; M270-M274 HydrophobicContact SD-CE 3.78Å; M270-M274 HydrophobicContact SD-CG 4.4Å; M270-M274 HydrophobicContact SD-SD 4.49Å; A271-M274 PolarHBondContact O-N 3.1Å
275G92.1Very high88.3Confident2 Ų251.5 Ų51.52%0.02124%0.243CC..SBendtrans88.5161.2179.200000114.8G235 E257 P277 Y278 L279G235-G275 WeakPolarHBondContact O-CA 3.2Å; G235-G275 PolarHBondContact O-N 3.31Å; E257-G275 WeakPolarHBondContact OE1-CA 3.22Å; E257-G275 WeakPolarHBondContact OE2-CA 3.38Å; G275-P277 VanDerWaalsContact C-CD 3.48Å; G275-Y278 PolarHBondContact O-N 2.65Å; G275-Y278 VanDerWaalsContact O-N 3.17Å; G275-L279 PolarHBondContact O-N 2.76Å
276T89.1Confident87.6Confident2 Ų247.4 Ų47.41%0.01221%0.214CC..Hα-helixtrans-52.9-44.5-178.6-58.40000113N51 L254 E257 Y278 L279 Q280N51-T276 HydrophobicContact CB-CG2 3.74Å; L254-T276 HydrophobicContact CD2-CG2 4.12Å; E257-T276 VanDerWaalsContact CD-N 3.27Å; E257-T276 PolarHBondContact OE1-N 3.05Å; E257-T276 VanDerWaalsContact OE1-N 3.1Å; E257-T276 PolarHBondContact OE1-OG1 3.35Å; E257-T276 VanDerWaalsContact OE1-OG1 3.14Å; E257-T276 WeakPolarHBondContact OE2-CB 3.47Å; E257-T276 PolarHBondContact OE2-N 3.31Å; E257-T276 PolarHBondContact OE2-OG1 3.35Å; T276-Y278 VanDerWaalsContact C-N 3.3Å; T276-Y278 PolarHBondContact O-N 3.36Å; T276-L279 WeakPolarHBondContact O-CB 3.3Å; T276-L279 PolarHBondContact O-N 3.03Å; T276-L279 VanDerWaalsContact O-N 3.17Å; T276-Q280 HydrophobicContact CG2-CG 4.37Å; T276-Q280 WeakPolarHBondContact O-CG 3.41Å; T276-Q280 PolarHBondContact O-N 3.33Å
277P85.9Confident86.6Confident72 Ų7246.6 Ų46.647%0.46821%0.208SC..Hα-helixtrans-65.8-32.6-178.8-21.835.2000113.1L254 G275 R281L254-P277 HydrophobicContact CD2-CG 4.16Å; G275-P277 VanDerWaalsContact C-CD 3.48Å; P277-R281 PolarHBondContact O-N 3.01Å
278Y89.7Confident85.4Confident66 Ų6647.2 Ų47.226%0.25921%0.212SC..Hα-helixtrans-70.2-44.2173.1-176.5-101.9000110.7I234 D272 R273 G275 T276 Q280 R281 I282I234-Y278 HydrophobicContact CD1-CD1 3.88Å; I234-Y278 HydrophobicContact CD1-CE1 3.87Å; I234-Y278 HydrophobicContact CG1-CD1 4.15Å; I234-Y278 HydrophobicContact CG1-CE1 4.09Å; I234-Y278 HydrophobicContact CG2-CD1 4.1Å; D272-Y278 VanDerWaalsContact O-CD2 3.32Å; D272-Y278 WeakPolarHBondContact O-CD2 3.41Å; R273-Y278 HydrophobicContact CB-CD1 4.44Å; R273-Y278 HydrophobicContact CB-CE1 3.9Å; R273-Y278 HydrophobicContact CB-CE2 4.34Å; R273-Y278 HydrophobicContact CG-CE2 4.34Å; R273-Y278 WeakPolarHBondContact O-CD1 3.44Å; R273-Y278 WeakPolarHBondContact O-CE1 3.45Å; G275-Y278 PolarHBondContact O-N 2.65Å; G275-Y278 VanDerWaalsContact O-N 3.17Å; T276-Y278 VanDerWaalsContact C-N 3.3Å; T276-Y278 PolarHBondContact O-N 3.36Å; Y278-Q280 PolarHBondContact O-N 3.06Å; Y278-R281 PolarHBondContact O-N 3.41Å; Y278-I282 HydrophobicContact CD1-CG1 3.95Å; Y278-I282 HydrophobicContact CD2-CG1 4.41Å; Y278-I282 HydrophobicContact CE1-CD1 4.21Å; Y278-I282 HydrophobicContact CE1-CG1 3.55Å; Y278-I282 HydrophobicContact CE2-CD1 4.12Å; Y278-I282 HydrophobicContact CE2-CG1 4.03Å; Y278-I282 HydrophobicContact CG-CG1 4.37Å; Y278-I282 WeakPolarHBondContact O-CG1 3.24Å; Y278-I282 PolarHBondContact O-N 2.73Å
279L90.2Very high84.5Confident0 Ų039.7 Ų39.70%019%0.185CC..Hα-helixtrans-56.5-49.4175.5-175.256.6000111.7V48 F52 L174 V205 I234 V236 G275 T276 R281 I282 L283V48-L279 HydrophobicContact CG1-CD2 4.08Å; F52-L279 HydrophobicContact CE2-CB 4.49Å; F52-L279 HydrophobicContact CE2-CD2 3.95Å; F52-L279 HydrophobicContact CE2-CG 3.96Å; F52-L279 HydrophobicContact CZ-CD2 4.39Å; F52-L279 HydrophobicContact CZ-CG 3.94Å; L174-L279 HydrophobicContact CD1-CD1 4.39Å; V205-L279 HydrophobicContact CG1-CD2 4.08Å; V205-L279 HydrophobicContact CG2-CD1 3.87Å; V205-L279 HydrophobicContact CG2-CD2 3.86Å; I234-L279 HydrophobicContact CB-CD1 4.18Å; I234-L279 HydrophobicContact CD1-CD1 3.67Å; I234-L279 HydrophobicContact CG1-CD1 4.48Å; I234-L279 HydrophobicContact CG2-CB 4Å; I234-L279 HydrophobicContact CG2-CD1 4.32Å; V236-L279 HydrophobicContact CG1-CB 4.46Å; V236-L279 HydrophobicContact CG1-CD2 3.83Å; G275-L279 PolarHBondContact O-N 2.76Å; T276-L279 WeakPolarHBondContact O-CB 3.3Å; T276-L279 PolarHBondContact O-N 3.03Å; T276-L279 VanDerWaalsContact O-N 3.17Å; L279-R281 PolarHBondContact O-N 3.16Å; L279-I282 PolarHBondContact O-N 3.11Å; L279-L283 HydrophobicContact CD1-CD2 3.99Å; L279-L283 HydrophobicContact CD1-CG 4.07Å; L279-L283 HydrophobicContact CG-CG 4.36Å; L279-L283 WeakPolarHBondContact O-CG 3.36Å; L279-L283 PolarHBondContact O-N 2.76Å
280Q82.4Confident83.3Confident43 Ų4335.6 Ų35.620%0.20117%0.166CC..Hα-helixtrans-55-48175.9-71.6175.54.800112.5N51 F52 T276 Y278 L283 N284N51-Q280 PolarHBondContact O-NE2 3.48Å; N51-Q280 VanDerWaalsContact O-NE2 3.07Å; F52-Q280 HydrophobicContact CD1-CG 3.85Å; F52-Q280 HydrophobicContact CD2-CG 3.97Å; F52-Q280 HydrophobicContact CE1-CB 4.16Å; F52-Q280 HydrophobicContact CE1-CG 3.69Å; F52-Q280 HydrophobicContact CE2-CG 3.84Å; F52-Q280 HydrophobicContact CG-CG 3.98Å; F52-Q280 HydrophobicContact CZ-CB 4.2Å; F52-Q280 HydrophobicContact CZ-CG 3.69Å; T276-Q280 HydrophobicContact CG2-CG 4.37Å; T276-Q280 WeakPolarHBondContact O-CG 3.41Å; T276-Q280 PolarHBondContact O-N 3.33Å; Y278-Q280 PolarHBondContact O-N 3.06Å; Q280-L283 PolarHBondContact O-N 2.88Å; Q280-N284 PolarHBondContact O-N 3.39Å
281R80.3Confident82.1Confident150 Ų15036 Ų3657%0.56617%0.167SC*.Hα-helixtrans-61.5-44.8178.1178.5178.6172.8173.1-1111.7P277 Y278 L279 Q285P277-R281 PolarHBondContact O-N 3.01Å; Y278-R281 PolarHBondContact O-N 3.41Å; L279-R281 PolarHBondContact O-N 3.16Å; R281-Q285 VanDerWaalsContact O-CB 3.32Å; R281-Q285 WeakPolarHBondContact O-CB 3.42Å; R281-Q285 PolarHBondContact O-N 3.3Å
282I84.2Confident81.1Confident18 Ų1840.2 Ų40.29%0.09218%0.183CC..Hα-helixtrans-66.8-44.8178.5-67.6-60.9000110.9I203 I234 Y278 L279 N284 Q285 Q286I203-I282 HydrophobicContact CD1-CG2 4.36Å; I234-I282 HydrophobicContact CD1-CB 4.03Å; I234-I282 HydrophobicContact CD1-CG1 4.15Å; I234-I282 HydrophobicContact CD1-CG2 4.01Å; Y278-I282 HydrophobicContact CD1-CG1 3.95Å; Y278-I282 HydrophobicContact CD2-CG1 4.41Å; Y278-I282 HydrophobicContact CE1-CD1 4.21Å; Y278-I282 HydrophobicContact CE1-CG1 3.55Å; Y278-I282 HydrophobicContact CE2-CD1 4.12Å; Y278-I282 HydrophobicContact CE2-CG1 4.03Å; Y278-I282 HydrophobicContact CG-CG1 4.37Å; Y278-I282 WeakPolarHBondContact O-CG1 3.24Å; Y278-I282 PolarHBondContact O-N 2.73Å; L279-I282 PolarHBondContact O-N 3.11Å; I282-N284 VanDerWaalsContact C-N 3.34Å; I282-N284 PolarHBondContact O-N 2.98Å; I282-Q285 PolarHBondContact O-N 3.12Å; I282-Q286 HydrophobicContact CG2-CG 3.83Å; I282-Q286 VanDerWaalsContact O-CB 3.25Å; I282-Q286 WeakPolarHBondContact O-CB 3.4Å; I282-Q286 WeakPolarHBondContact O-CG 3.38Å; I282-Q286 PolarHBondContact O-N 3.25Å
283L82.3Confident80.2Confident0 Ų039.1 Ų39.10%018%0.177CC..Hα-helixtrans-59.2-44.8177.8-66.3-157.6000111.6I35 F52 L174 I203 L279 Q280 Q286 L287I35-L283 HydrophobicContact CD1-CB 4.08Å; I35-L283 HydrophobicContact CD1-CD1 4.18Å; I35-L283 HydrophobicContact CG2-CD1 4.34Å; F52-L283 HydrophobicContact CE1-CB 4.32Å; F52-L283 HydrophobicContact CE1-CD1 3.68Å; F52-L283 HydrophobicContact CE1-CG 4.26Å; F52-L283 HydrophobicContact CE2-CD1 4.44Å; F52-L283 HydrophobicContact CZ-CB 4.43Å; F52-L283 HydrophobicContact CZ-CD1 3.41Å; F52-L283 VanDerWaalsContact CZ-CD1 3.41Å; F52-L283 HydrophobicContact CZ-CG 3.92Å; L174-L283 HydrophobicContact CD1-CD1 4.2Å; L174-L283 HydrophobicContact CD1-CD2 3.84Å; L174-L283 HydrophobicContact CD2-CD1 3.97Å; I203-L283 HydrophobicContact CD1-CD2 3.49Å; I203-L283 VanDerWaalsContact CD1-CD2 3.49Å; L279-L283 HydrophobicContact CD1-CD2 3.99Å; L279-L283 HydrophobicContact CD1-CG 4.07Å; L279-L283 HydrophobicContact CG-CG 4.36Å; L279-L283 WeakPolarHBondContact O-CG 3.36Å; L279-L283 PolarHBondContact O-N 2.76Å; Q280-L283 PolarHBondContact O-N 2.88Å; L283-Q286 PolarHBondContact O-N 3.5Å; L283-L287 VanDerWaalsContact O-CB 3.27Å; L283-L287 WeakPolarHBondContact O-CB 3.42Å; L283-L287 PolarHBondContact O-N 3.44Å
284N74.3Confident79.2Confident19 Ų1935.2 Ų35.210%0.10217%0.168CC..Hα-helixtrans-64.8-45.1176.6-174.834.8000112.5N4 L132 L134 Q280 I282 Q286 L287 T288N4-N284 PolarHBondContact ND2-ND2 3.38Å; N4-N284 PolarHBondContact ND2-OD1 3.07Å; L132-N284 HydrophobicContact CD1-CB 3.68Å; L134-N284 HydrophobicContact CD2-CB 4.22Å; Q280-N284 PolarHBondContact O-N 3.39Å; I282-N284 VanDerWaalsContact C-N 3.34Å; I282-N284 PolarHBondContact O-N 2.98Å; N284-Q286 VanDerWaalsContact C-N 3.33Å; N284-Q286 PolarHBondContact O-N 3.34Å; N284-L287 PolarHBondContact O-N 2.92Å; N284-T288 WeakPolarHBondContact O-CB 3.31Å; N284-T288 PolarHBondContact O-N 3.26Å; N284-T288 PolarHBondContact O-OG1 3.1Å
285Q77.1Confident78.2Confident52 Ų5235 Ų3524%0.24317%0.166CC..Hα-helixtrans-60.8-42.4176.5-179.2-180-1500111.7R281 I282 T288 N289R281-Q285 VanDerWaalsContact O-CB 3.32Å; R281-Q285 WeakPolarHBondContact O-CB 3.42Å; R281-Q285 PolarHBondContact O-N 3.3Å; I282-Q285 PolarHBondContact O-N 3.12Å; Q285-T288 WeakPolarHBondContact O-CB 3.39Å; Q285-T288 PolarHBondContact O-N 3.15Å; Q285-N289 WeakPolarHBondContact O-CB 3.42Å; Q285-N289 PolarHBondContact O-N 2.92Å
286Q77.2Confident77.6Confident22 Ų2237.6 Ų37.610%0.10318%0.183CC..Hα-helixtrans-73.7-35.2-178.7-68.3-59.2300112.6L172 I203 I282 L283 N284 N289 H290L172-Q286 HydrophobicContact CD1-CB 3.98Å; I203-Q286 HydrophobicContact CD1-CB 4.38Å; I203-Q286 HydrophobicContact CD1-CG 4.22Å; I282-Q286 HydrophobicContact CG2-CG 3.83Å; I282-Q286 VanDerWaalsContact O-CB 3.25Å; I282-Q286 WeakPolarHBondContact O-CB 3.4Å; I282-Q286 WeakPolarHBondContact O-CG 3.38Å; I282-Q286 PolarHBondContact O-N 3.25Å; L283-Q286 PolarHBondContact O-N 3.5Å; N284-Q286 VanDerWaalsContact C-N 3.33Å; N284-Q286 PolarHBondContact O-N 3.34Å; Q286-N289 PolarHBondContact OE1-ND2 3.24Å; Q286-H290 VanDerWaalsContact O-CB 3.22Å; Q286-H290 WeakPolarHBondContact O-CB 3.37Å; Q286-H290 PolarHBondContact O-N 2.92Å
287L72.1Confident77Confident2 Ų244.4 Ų44.41%0.0121%0.214CC..Hα-helixtrans-62.3-44.6169.2-173.568.9000110.9M7 P33 I35 L134 L283 N284 H290 I291M7-L287 HydrophobicContact CE-CD2 3.74Å; M7-L287 HydrophobicContact CE-CG 4.27Å; P33-L287 HydrophobicContact CB-CD1 3.62Å; I35-L287 HydrophobicContact CG1-CD1 4.49Å; L134-L287 HydrophobicContact CD2-CD2 3.53Å; L283-L287 VanDerWaalsContact O-CB 3.27Å; L283-L287 WeakPolarHBondContact O-CB 3.42Å; L283-L287 PolarHBondContact O-N 3.44Å; N284-L287 PolarHBondContact O-N 2.92Å; L287-H290 PolarHBondContact O-N 3.44Å; L287-I291 HydrophobicContact CD1-CD1 4.18Å; L287-I291 HydrophobicContact CD2-CD1 4.49Å; L287-I291 HydrophobicContact CG-CD1 3.87Å; L287-I291 WeakPolarHBondContact O-CB 3.32Å; L287-I291 VanDerWaalsContact O-CG1 3.31Å; L287-I291 WeakPolarHBondContact O-CG1 3.39Å; L287-I291 PolarHBondContact O-N 3.03Å
288T69.1Low76.4Confident14 Ų1442.2 Ų42.29%0.08620%0.199CC..Hα-helixtrans-60.7-47.7177.6-52.30000111.6N4 N284 Q285 R292 T742N4-T288 PolarHBondContact ND2-OG1 3.38Å; N284-T288 WeakPolarHBondContact O-CB 3.31Å; N284-T288 PolarHBondContact O-N 3.26Å; N284-T288 PolarHBondContact O-OG1 3.1Å; Q285-T288 WeakPolarHBondContact O-CB 3.39Å; Q285-T288 PolarHBondContact O-N 3.15Å; T288-R292 PolarHBondContact O-N 3.03Å; T288-T742 HydrophobicContact CG2-CG2 3.51Å
289N73.7Confident76Confident9 Ų943.4 Ų43.45%0.04820%0.203CC..Hα-helixtrans-56.7-51.2173.4-77.3-7.5000111Q285 Q286 I291 R292 D293 S744 V745Q285-N289 WeakPolarHBondContact O-CB 3.42Å; Q285-N289 PolarHBondContact O-N 2.92Å; Q286-N289 PolarHBondContact OE1-ND2 3.24Å; N289-I291 PolarHBondContact O-N 2.94Å; N289-R292 WeakPolarHBondContact O-CA 3.37Å; N289-R292 WeakPolarHBondContact O-CB 3.37Å; N289-R292 PolarHBondContact O-N 3.48Å; N289-R292 VanDerWaalsContact O-N 3.09Å; N289-D293 VanDerWaalsContact O-CG 3.27Å; N289-D293 PolarHBondContact O-N 3.45Å; N289-S744 VanDerWaalsContact OD1-CA 3.26Å; N289-S744 WeakPolarHBondContact OD1-CA 3.28Å; N289-S744 WeakPolarHBondContact OD1-CB 3.35Å; N289-V745 PolarHBondContact ND2-O 3.27Å; N289-V745 PolarHBondContact OD1-N 2.85Å; N289-V745 VanDerWaalsContact OD1-N 3.08Å
290H68.7Low75.7Confident20 Ų2047.9 Ų47.99%0.09323%0.227CC..Hα-helixtrans-66.3-34.9-175.1-170.235.5000113.3D169 S170 Q286 L287 D293 T294D169-H290 PolarHBondContact O-CE1 3.05Å; D169-H290 PolarHBondContact O-NE2 2.67Å; S170-H290 VanDerWaalsContact C-NE2 3.25Å; S170-H290 VanDerWaalsContact CA-NE2 3.31Å; S170-H290 WeakPolarHBondContact CA-NE2 3.31Å; S170-H290 PolarHBondContact O-CD2 3.11Å; S170-H290 PolarHBondContact O-NE2 2.93Å; S170-H290 VanDerWaalsContact O-NE2 3.1Å; Q286-H290 VanDerWaalsContact O-CB 3.22Å; Q286-H290 WeakPolarHBondContact O-CB 3.37Å; Q286-H290 PolarHBondContact O-N 2.92Å; L287-H290 PolarHBondContact O-N 3.44Å; H290-D293 PolarHBondContact O-N 3.37Å; H290-T294 WeakPolarHBondContact O-CG2 3.44Å; H290-T294 PolarHBondContact O-N 2.72Å; H290-T294 PolarHBondContact O-OG1 3.46Å; H290-T294 VanDerWaalsContact O-OG1 3.05Å
291I68.2Low75.6Confident9 Ų950.6 Ų50.65%0.04624%0.235CC..Hα-helixtrans-64.3-45.1170.7-73.4170.3000110.4M7 L10 P33 L287 N289 D293 T294 L295M7-I291 HydrophobicContact CE-CD1 3.4Å; M7-I291 VanDerWaalsContact CE-CD1 3.4Å; M7-I291 HydrophobicContact SD-CD1 3.24Å; M7-I291 WeakPolarHBondContact SD-CD1 3.3Å; L10-I291 HydrophobicContact CD2-CG2 3.64Å; P33-I291 HydrophobicContact CB-CD1 4.26Å; P33-I291 HydrophobicContact CB-CG1 3.69Å; P33-I291 HydrophobicContact CG-CB 4.49Å; P33-I291 HydrophobicContact CG-CD1 4.42Å; P33-I291 HydrophobicContact CG-CG1 3.45Å; P33-I291 VanDerWaalsContact CG-CG1 3.45Å; L287-I291 HydrophobicContact CD1-CD1 4.18Å; L287-I291 HydrophobicContact CD2-CD1 4.49Å; L287-I291 HydrophobicContact CG-CD1 3.87Å; L287-I291 WeakPolarHBondContact O-CB 3.32Å; L287-I291 VanDerWaalsContact O-CG1 3.31Å; L287-I291 WeakPolarHBondContact O-CG1 3.39Å; L287-I291 PolarHBondContact O-N 3.03Å; N289-I291 PolarHBondContact O-N 2.94Å; I291-D293 PolarHBondContact O-N 2.94Å; I291-T294 PolarHBondContact O-N 3.48Å; I291-T294 PolarHBondContact O-OG1 3.39Å; I291-L295 HydrophobicContact CG2-CD1 3.77Å; I291-L295 HydrophobicContact CG2-CG 4.07Å; I291-L295 WeakPolarHBondContact O-CB 3.49Å; I291-L295 WeakPolarHBondContact O-CG 3.3Å; I291-L295 PolarHBondContact O-N 2.91Å
292R70.2Confident75.7Confident92 Ų9243.5 Ų43.535%0.34721%0.208SC..Hα-helixtrans-59-36.2175.3-166.9-173.8-173.9-164.62.8112.4T288 N289 P296 T742 S744T288-R292 PolarHBondContact O-N 3.03Å; N289-R292 WeakPolarHBondContact O-CA 3.37Å; N289-R292 WeakPolarHBondContact O-CB 3.37Å; N289-R292 PolarHBondContact O-N 3.48Å; N289-R292 VanDerWaalsContact O-N 3.09Å; R292-P296 WeakPolarHBondContact O-CD 3.45Å; R292-T742 PolarHBondContact NE-O 2.9Å; R292-S744 WeakPolarHBondContact CD-OG 3.3Å; R292-S744 PolarHBondContact NH1-OG 3.35Å
293D72.4Confident75.8Confident91 Ų9145.9 Ų45.949%0.48722%0.219SC..Hα-helixtrans-76.4-30.9-179-63.2-24.6000112.9N289 H290 I291N289-D293 VanDerWaalsContact O-CG 3.27Å; N289-D293 PolarHBondContact O-N 3.45Å; H290-D293 PolarHBondContact O-N 3.37Å; I291-D293 PolarHBondContact O-N 2.94Å
294T70.2Confident76Confident45 Ų4550.3 Ų50.328%0.27625%0.246SC..Hα-helixtrans-86.1-30.2178.453.40000113.9H290 I291 H297 L298H290-T294 WeakPolarHBondContact O-CG2 3.44Å; H290-T294 PolarHBondContact O-N 2.72Å; H290-T294 PolarHBondContact O-OG1 3.46Å; H290-T294 VanDerWaalsContact O-OG1 3.05Å; I291-T294 PolarHBondContact O-N 3.48Å; I291-T294 PolarHBondContact O-OG1 3.39Å; T294-H297 PolarHBondContact O-N 3.16Å; T294-H297 VanDerWaalsContact O-N 3.08Å; T294-L298 PolarHBondContact O-N 3.16Å
295L73.2Confident76.3Confident7 Ų752.7 Ų52.74%0.03726%0.257CS..Hα-helixtrans-54-39.1-179.4-81172.4000115.3L10 I291 H297 L298 R299 I735 V738 I739L10-L295 HydrophobicContact CD1-CD2 4.07Å; L10-L295 HydrophobicContact CD2-CD2 4.46Å; I291-L295 HydrophobicContact CG2-CD1 3.77Å; I291-L295 HydrophobicContact CG2-CG 4.07Å; I291-L295 WeakPolarHBondContact O-CB 3.49Å; I291-L295 WeakPolarHBondContact O-CG 3.3Å; I291-L295 PolarHBondContact O-N 2.91Å; L295-H297 VanDerWaalsContact C-N 3.33Å; L295-H297 PolarHBondContact O-N 3.08Å; L295-L298 HydrophobicContact CD2-CD2 4.13Å; L295-L298 PolarHBondContact O-N 3.46Å; L295-R299 WeakPolarHBondContact O-CB 3.47Å; L295-R299 PolarHBondContact O-N 3.28Å; L295-I735 HydrophobicContact CD2-CG1 4.15Å; L295-I735 HydrophobicContact CD2-CG2 4.19Å; L295-V738 HydrophobicContact CD1-CB 4.3Å; L295-V738 HydrophobicContact CD1-CG1 3.56Å; L295-I739 HydrophobicContact CB-CD1 4.21Å; L295-I739 HydrophobicContact CB-CG1 4.15Å; L295-I739 HydrophobicContact CD1-CG1 4.31Å
296P78.1Confident76.8Confident57 Ų5751.2 Ų51.237%0.3725%0.251SS..Hα-helixtrans-61.1-37175.2-26.535.2000113.7R292 R299 N300R292-P296 WeakPolarHBondContact O-CD 3.45Å; P296-R299 PolarHBondContact O-N 3.24Å; P296-N300 VanDerWaalsContact O-CG 3.24Å; P296-N300 PolarHBondContact O-N 3.41Å; P296-N300 PolarHBondContact O-ND2 3.02Å
297H76.8Confident77.2Confident144 Ų14455.6 Ų55.667%0.66727%0.273SS*.Hα-helixtrans-70.5-44.1178.4-169.384.9000110.9T294 L295 R299 N300 R301T294-H297 PolarHBondContact O-N 3.16Å; T294-H297 VanDerWaalsContact O-N 3.08Å; L295-H297 VanDerWaalsContact C-N 3.33Å; L295-H297 PolarHBondContact O-N 3.08Å; H297-R299 VanDerWaalsContact C-N 3.35Å; H297-R299 PolarHBondContact O-N 3.29Å; H297-N300 PolarHBondContact O-N 3.26Å; H297-R301 PolarHBondContact O-N 3.04Å
298L74.2Confident77.7Confident27 Ų2758.2 Ų58.214%0.14129%0.292CS..Hα-helixtrans-56.7-47.3171.6173.363.7000111.7L30 T294 L295 N300 R301 L302 I735L30-L298 HydrophobicContact CD2-CD1 3.51Å; L30-L298 HydrophobicContact CD2-CD2 3.61Å; L30-L298 HydrophobicContact CD2-CG 4.16Å; L30-L298 HydrophobicContact CG-CD1 3.97Å; T294-L298 PolarHBondContact O-N 3.16Å; L295-L298 HydrophobicContact CD2-CD2 4.13Å; L295-L298 PolarHBondContact O-N 3.46Å; L298-N300 PolarHBondContact O-N 3.5Å; L298-R301 PolarHBondContact O-N 3.36Å; L298-L302 HydrophobicContact CD1-CD1 3.93Å; L298-L302 HydrophobicContact CD1-CG 4.07Å; L298-L302 HydrophobicContact CG-CD1 4Å; L298-L302 HydrophobicContact CG-CG 4.48Å; L298-L302 WeakPolarHBondContact O-CG 3.33Å; L298-L302 PolarHBondContact O-N 3.27Å; L298-I735 HydrophobicContact CD2-CD1 3.71Å; L298-I735 HydrophobicContact CD2-CG1 4.45Å; L298-I735 HydrophobicContact CG-CD1 3.99Å
299R81.6Confident78.5Confident91 Ų9158.3 Ų58.334%0.34329%0.292SS..Hα-helixtrans-55.4-50.8177.2-177.6-166.9159.9158.25.7110.9L295 P296 H297 R301 L302 Q303 L732 I735L295-R299 WeakPolarHBondContact O-CB 3.47Å; L295-R299 PolarHBondContact O-N 3.28Å; P296-R299 PolarHBondContact O-N 3.24Å; H297-R299 VanDerWaalsContact C-N 3.35Å; H297-R299 PolarHBondContact O-N 3.29Å; R299-R301 VanDerWaalsContact C-N 3.34Å; R299-R301 PolarHBondContact O-N 3.39Å; R299-L302 PolarHBondContact O-N 3.38Å; R299-Q303 HydrophobicContact CG-CG 4.36Å; R299-Q303 WeakPolarHBondContact O-CG 3.36Å; R299-Q303 PolarHBondContact O-N 2.99Å; R299-L732 HydrophobicContact CG-CD2 3.94Å; R299-I735 HydrophobicContact CB-CG2 4Å; R299-I735 HydrophobicContact CG-CG2 4.39Å
300N83.6Confident78.9Confident94 Ų9462 Ų6250%0.50331%0.309SS..Hα-helixtrans-59.2-45-179.8-70.3-15.2000111.4P296 H297 L298 L302 Q303 T304P296-N300 VanDerWaalsContact O-CG 3.24Å; P296-N300 PolarHBondContact O-N 3.41Å; P296-N300 PolarHBondContact O-ND2 3.02Å; H297-N300 PolarHBondContact O-N 3.26Å; L298-N300 PolarHBondContact O-N 3.5Å; N300-L302 PolarHBondContact O-N 2.87Å; N300-Q303 PolarHBondContact O-N 3.12Å; N300-T304 PolarHBondContact O-N 3.09Å; N300-T304 PolarHBondContact O-OG1 3.15Å; N300-T304 VanDerWaalsContact O-OG1 3.06Å
301R80.5Confident79.4Confident99 Ų9968.4 Ų68.437%0.37434%0.336SS..Hα-helixtrans-59.1-46.2175.8179.8177.2170172.6-1.8112.1P27 H297 L298 R299 T304 Q305P27-R301 PolarHBondContact O-NH2 2.97Å; H297-R301 PolarHBondContact O-N 3.04Å; L298-R301 PolarHBondContact O-N 3.36Å; R299-R301 VanDerWaalsContact C-N 3.34Å; R299-R301 PolarHBondContact O-N 3.39Å; R301-T304 PolarHBondContact O-N 3.4Å; R301-Q305 WeakPolarHBondContact O-CG 3.3Å; R301-Q305 PolarHBondContact O-N 2.92Å; R301-Q305 VanDerWaalsContact O-N 3.15Å
302L81.7Confident79.7Confident1 Ų172.1 Ų72.11%0.00535%0.354CS..Hα-helixtrans-67-36.6177.4-71.7175.7000112.5L17 F21 L298 R299 N300 Q305 L306 I728 A731 L732 I735L17-L302 HydrophobicContact CD1-CD1 4.33Å; L17-L302 HydrophobicContact CD2-CD2 4.48Å; F21-L302 HydrophobicContact CE2-CD2 4.27Å; F21-L302 HydrophobicContact CZ-CD2 4.19Å; L298-L302 HydrophobicContact CD1-CD1 3.93Å; L298-L302 HydrophobicContact CD1-CG 4.07Å; L298-L302 HydrophobicContact CG-CD1 4Å; L298-L302 HydrophobicContact CG-CG 4.48Å; L298-L302 WeakPolarHBondContact O-CG 3.33Å; L298-L302 PolarHBondContact O-N 3.27Å; R299-L302 PolarHBondContact O-N 3.38Å; N300-L302 PolarHBondContact O-N 2.87Å; L302-Q305 PolarHBondContact O-N 3.04Å; L302-L306 WeakPolarHBondContact O-CB 3.26Å; L302-L306 PolarHBondContact O-N 3.47Å; L302-I728 HydrophobicContact CB-CG2 4.26Å; L302-I728 HydrophobicContact CD2-CG1 4.39Å; L302-I728 HydrophobicContact CD2-CG2 4.44Å; L302-A731 HydrophobicContact CD1-CB 4.22Å; L302-L732 HydrophobicContact CB-CD2 3.78Å; L302-L732 HydrophobicContact CB-CG 4.17Å; L302-I735 HydrophobicContact CD1-CD1 3.53Å
303Q86.9Confident80.1Confident68 Ų6867.9 Ų67.932%0.31834%0.338SS..Hα-helixtrans-65.3-41.3174.4-72.5-175-85.300112R299 N300 Q305 L306 I307 L732R299-Q303 HydrophobicContact CG-CG 4.36Å; R299-Q303 WeakPolarHBondContact O-CG 3.36Å; R299-Q303 PolarHBondContact O-N 2.99Å; N300-Q303 PolarHBondContact O-N 3.12Å; Q303-Q305 VanDerWaalsContact C-N 3.35Å; Q303-Q305 PolarHBondContact O-N 2.84Å; Q303-L306 PolarHBondContact O-N 2.81Å; Q303-I307 WeakPolarHBondContact O-CG1 3.41Å; Q303-I307 PolarHBondContact O-N 2.84Å; Q303-I307 VanDerWaalsContact O-N 3.08Å; Q303-L732 HydrophobicContact CG-CD1 4.03Å; Q303-L732 HydrophobicContact CG-CD2 3.66Å
304T85.7Confident80.2Confident93 Ų9366.2 Ų66.257%0.57133%0.333SS*.Hα-helixtrans-61.7-43.4175.3-54.90000111.6N300 R301 I307 S308N300-T304 PolarHBondContact O-N 3.09Å; N300-T304 PolarHBondContact O-OG1 3.15Å; N300-T304 VanDerWaalsContact O-OG1 3.06Å; R301-T304 PolarHBondContact O-N 3.4Å; T304-I307 PolarHBondContact O-N 3.42Å; T304-S308 PolarHBondContact O-N 3.27Å; T304-S308 PolarHBondContact O-OG 2.91Å
305Q81.9Confident80.1Confident70 Ų7068.6 Ų68.633%0.32734%0.344SS..Hα-helixtrans-66.3-36.5176.3-68.7-69.8-48.500112.6R301 L302 Q303 S308 L309 I728R301-Q305 WeakPolarHBondContact O-CG 3.3Å; R301-Q305 PolarHBondContact O-N 2.92Å; R301-Q305 VanDerWaalsContact O-N 3.15Å; L302-Q305 PolarHBondContact O-N 3.04Å; Q303-Q305 VanDerWaalsContact C-N 3.35Å; Q303-Q305 PolarHBondContact O-N 2.84Å; Q305-S308 PolarHBondContact O-OG 2.91Å; Q305-L309 WeakPolarHBondContact O-CG 3.36Å; Q305-L309 PolarHBondContact O-N 3.44Å; Q305-I728 HydrophobicContact CB-CD1 4.28Å
306L86.1Confident79.8Confident21 Ų2169.2 Ų69.211%0.1135%0.347CS..Hα-helixtrans-61.7-45.2174.4-171.572.1000111.2L302 Q303 S308 L309 E310 Y725 I728 L732L302-L306 WeakPolarHBondContact O-CB 3.26Å; L302-L306 PolarHBondContact O-N 3.47Å; Q303-L306 PolarHBondContact O-N 2.81Å; L306-S308 VanDerWaalsContact C-N 3.35Å; L306-S308 PolarHBondContact O-N 2.6Å; L306-L309 CarbonylContact O-C 3.41Å; L306-L309 PolarHBondContact O-N 2.74Å; L306-E310 HydrophobicContact CG-CG 4.33Å; L306-E310 WeakPolarHBondContact O-CG 3.32Å; L306-E310 PolarHBondContact O-N 2.87Å; L306-Y725 HydrophobicContact CD1-CD2 3.68Å; L306-Y725 HydrophobicContact CD1-CE2 3.61Å; L306-Y725 HydrophobicContact CD1-CG 4.42Å; L306-Y725 HydrophobicContact CG-CE2 4.38Å; L306-I728 HydrophobicContact CB-CG2 3.96Å; L306-I728 HydrophobicContact CD1-CB 4.33Å; L306-I728 HydrophobicContact CD1-CG2 3.98Å; L306-L732 HydrophobicContact CB-CD1 4.32Å; L306-L732 HydrophobicContact CD2-CD1 3.83Å
307I86.8Confident78.9Confident114 Ų11473.3 Ų73.359%0.58536%0.355SS*.Hα-helixtrans-63.4-37.7-178.1-68163.8000112Q303 T304Q303-I307 WeakPolarHBondContact O-CG1 3.41Å; Q303-I307 PolarHBondContact O-N 2.84Å; Q303-I307 VanDerWaalsContact O-N 3.08Å; T304-I307 PolarHBondContact O-N 3.42Å
308S82.9Confident77.9Confident57 Ų5771.6 Ų71.640%0.39935%0.351SS..Hα-helixtrans-64.9-44.9173.240.40000111.8T304 Q305 L306 E310 K311T304-S308 PolarHBondContact O-N 3.27Å; T304-S308 PolarHBondContact O-OG 2.91Å; Q305-S308 PolarHBondContact O-OG 2.91Å; L306-S308 VanDerWaalsContact C-N 3.35Å; L306-S308 PolarHBondContact O-N 2.6Å; S308-E310 PolarHBondContact O-N 3.35Å; S308-K311 PolarHBondContact O-N 2.84Å
309L84.2Confident77.2Confident16 Ų1671.5 Ų71.58%0.08435%0.348CS..Hα-helixtrans-69.3-31.2178.9-68166.3000112.5Q305 L306 K311 E312 V313 I721 M724 Y725 I728Q305-L309 WeakPolarHBondContact O-CG 3.36Å; Q305-L309 PolarHBondContact O-N 3.44Å; L306-L309 CarbonylContact O-C 3.41Å; L306-L309 PolarHBondContact O-N 2.74Å; L309-K311 PolarHBondContact O-N 3.31Å; L309-E312 PolarHBondContact O-N 3.42Å; L309-V313 WeakPolarHBondContact O-CB 3.34Å; L309-V313 WeakPolarHBondContact O-CG2 3.47Å; L309-V313 PolarHBondContact O-N 2.65Å; L309-I721 HydrophobicContact CD2-CG2 4.25Å; L309-M724 HydrophobicContact CD1-CG 3.63Å; L309-Y725 HydrophobicContact CB-CD2 4.43Å; L309-I728 HydrophobicContact CD1-CD1 3.57Å
310E83.5Confident76.2Confident86 Ų8675.1 Ų75.140%0.40236%0.362SS..Hα-helixtrans-56.2-36176.6-87.3-179.9172.800112.1L306 S308 S314 Y725L306-E310 HydrophobicContact CG-CG 4.33Å; L306-E310 WeakPolarHBondContact O-CG 3.32Å; L306-E310 PolarHBondContact O-N 2.87Å; S308-E310 PolarHBondContact O-N 3.35Å; E310-S314 VanDerWaalsContact O-CB 3.25Å; E310-S314 WeakPolarHBondContact O-CB 3.42Å; E310-S314 PolarHBondContact O-N 3.02Å; E310-Y725 HydrophobicContact CG-CD2 4.48Å; E310-Y725 HydrophobicContact CG-CE2 3.65Å
311K78.2Confident74.9Confident155 Ų15573 Ų7367%0.67435%0.353SS*.Hα-helixtrans-63.1-57.5176.9-171.7-176.8175.8-169.50110.9S308 L309 V313 S314 D315S308-K311 PolarHBondContact O-N 2.84Å; L309-K311 PolarHBondContact O-N 3.31Å; K311-V313 PolarHBondContact O-N 3.29Å; K311-S314 WeakPolarHBondContact O-CB 3.33Å; K311-S314 PolarHBondContact O-N 3.17Å; K311-S314 VanDerWaalsContact O-N 3.13Å; K311-S314 PolarHBondContact O-OG 3.05Å; K311-D315 PolarHBondContact O-N 3.27Å
312E75.2Confident74Confident87 Ų8775.6 Ų75.641%0.40738%0.375SS..Hα-helixtrans-63.9-42-179.3-64.9167.9-153.200111.8L309 S314 D315 F316 I721L309-E312 PolarHBondContact O-N 3.42Å; E312-S314 VanDerWaalsContact C-N 3.27Å; E312-S314 PolarHBondContact O-N 3.01Å; E312-D315 PolarHBondContact O-N 2.87Å; E312-F316 HydrophobicContact CB-CE2 4.4Å; E312-F316 WeakPolarHBondContact O-CD2 3.46Å; E312-F316 PolarHBondContact O-N 2.63Å; E312-F316 VanDerWaalsContact O-N 3.1Å; E312-I721 WeakPolarHBondContact OE2-CD1 3.44Å
313V79.5Confident73.4Confident3 Ų378.3 Ų78.32%0.01839%0.389CS..Hα-helixtrans-65.6-28175.31730000111.8L309 K311 F316 R317 I721 Y725L309-V313 WeakPolarHBondContact O-CB 3.34Å; L309-V313 WeakPolarHBondContact O-CG2 3.47Å; L309-V313 PolarHBondContact O-N 2.65Å; K311-V313 PolarHBondContact O-N 3.29Å; V313-F316 CarbonylContact O-C 3.53Å; V313-F316 PolarHBondContact O-N 3.18Å; V313-R317 HydrophobicContact CG1-CG 3.83Å; V313-R317 VanDerWaalsContact O-CB 3.27Å; V313-R317 WeakPolarHBondContact O-CB 3.39Å; V313-R317 VanDerWaalsContact O-CG 3.25Å; V313-R317 WeakPolarHBondContact O-CG 3.4Å; V313-R317 PolarHBondContact O-N 2.92Å; V313-I721 HydrophobicContact CG2-CG2 3.5Å; V313-I721 VanDerWaalsContact CG2-CG2 3.5Å; V313-Y725 HydrophobicContact CB-CD2 4.22Å; V313-Y725 HydrophobicContact CB-CG 4.5Å; V313-Y725 HydrophobicContact CG1-CD1 4.41Å; V313-Y725 HydrophobicContact CG1-CD2 4.16Å; V313-Y725 HydrophobicContact CG1-CE2 4.42Å; V313-Y725 HydrophobicContact CG1-CG 4.16Å; V313-Y725 HydrophobicContact CG2-CD2 3.95Å; V313-Y725 HydrophobicContact CG2-CG 3.97Å
314S72.8Confident72.7Confident56 Ų5678.9 Ų78.939%0.39240%0.399SS..Hα-helixtrans-67.5-37.5174.178.70000112.1E310 K311 E312 F316 R317 N318E310-S314 VanDerWaalsContact O-CB 3.25Å; E310-S314 WeakPolarHBondContact O-CB 3.42Å; E310-S314 PolarHBondContact O-N 3.02Å; K311-S314 WeakPolarHBondContact O-CB 3.33Å; K311-S314 PolarHBondContact O-N 3.17Å; K311-S314 VanDerWaalsContact O-N 3.13Å; K311-S314 PolarHBondContact O-OG 3.05Å; E312-S314 VanDerWaalsContact C-N 3.27Å; E312-S314 PolarHBondContact O-N 3.01Å; S314-F316 VanDerWaalsContact C-N 3.34Å; S314-R317 PolarHBondContact O-N 3.27Å; S314-N318 PolarHBondContact O-ND2 3.37Å
315D68.2Low72.2Confident95 Ų9577.6 Ų77.651%0.50840%0.398SS..Hα-helixtrans-67.1-37.4173.8-63.6-37000110.9K311 E312K311-D315 PolarHBondContact O-N 3.27Å; E312-D315 PolarHBondContact O-N 2.87Å
316F68.4Low71.8Confident19 Ų1976.7 Ų76.78%0.08339%0.392CS..Hα-helixtrans-78-29.3175.6-61.7-48.5000115.2E312 V313 S314 N318 Y319 R718 I721E312-F316 HydrophobicContact CB-CE2 4.4Å; E312-F316 WeakPolarHBondContact O-CD2 3.46Å; E312-F316 PolarHBondContact O-N 2.63Å; E312-F316 VanDerWaalsContact O-N 3.1Å; V313-F316 CarbonylContact O-C 3.53Å; V313-F316 PolarHBondContact O-N 3.18Å; S314-F316 VanDerWaalsContact C-N 3.34Å; F316-N318 VanDerWaalsContact C-N 3.3Å; F316-N318 PolarHBondContact O-N 3.33Å; F316-Y319 WeakPolarHBondContact O-CA 3.36Å; F316-Y319 WeakPolarHBondContact O-CB 3.41Å; F316-Y319 PolarHBondContact O-N 3.48Å; F316-R718 HydrophobicContact CB-CG 4.06Å; F316-R718 HydrophobicContact CD1-CB 4.2Å; F316-R718 HydrophobicContact CD1-CG 3.55Å; F316-R718 HydrophobicContact CD2-CG 4.08Å; F316-R718 HydrophobicContact CE1-CB 4.02Å; F316-R718 HydrophobicContact CE1-CG 3.91Å; F316-R718 HydrophobicContact CE2-CB 4.49Å; F316-R718 HydrophobicContact CE2-CG 4.4Å; F316-R718 HydrophobicContact CG-CG 3.64Å; F316-R718 HydrophobicContact CZ-CB 4.18Å; F316-R718 HydrophobicContact CZ-CG 4.32Å; F316-I721 HydrophobicContact CD2-CG2 4.17Å; F316-I721 HydrophobicContact CE2-CB 4.42Å; F316-I721 HydrophobicContact CE2-CD1 3.87Å; F316-I721 HydrophobicContact CE2-CG2 4.13Å
317R57.8Low71.3Confident143 Ų14377.3 Ų77.354%0.5439%0.394SS..Hα-helixtrans-72.7-23.9-178-85.3178173.2-153.2-10113.7V313 S314V313-R317 HydrophobicContact CG1-CG 3.83Å; V313-R317 VanDerWaalsContact O-CB 3.27Å; V313-R317 WeakPolarHBondContact O-CB 3.39Å; V313-R317 VanDerWaalsContact O-CG 3.25Å; V313-R317 WeakPolarHBondContact O-CG 3.4Å; V313-R317 PolarHBondContact O-N 2.92Å; S314-R317 PolarHBondContact O-N 3.27Å
318N57.1Low71Confident109 Ų10974.5 Ų74.558%0.58338%0.382SS*.THydrogen-bonded Turntrans-71.9-21.2168.2-68.5-49000111.7S314 F316 R320 Y326S314-N318 PolarHBondContact O-ND2 3.37Å; F316-N318 VanDerWaalsContact C-N 3.3Å; F316-N318 PolarHBondContact O-N 3.33Å; N318-R320 PolarHBondContact O-N 2.84Å; N318-R320 VanDerWaalsContact O-N 3.09Å; N318-Y326 HydrophobicContact CB-CE2 4.33Å; N318-Y326 WeakPolarHBondContact O-CD2 3.29Å; N318-Y326 WeakPolarHBondContact O-CE2 3.49Å; N318-Y326 VanDerWaalsContact O-CZ 3.29Å
319Y58.3Low71Confident24 Ų2477.6 Ų77.69%0.09439%0.388CS..  trans-71.3101.4-178.9-158.3-103.1000111.3F316 P321 Y326 F451 E710F316-Y319 WeakPolarHBondContact O-CA 3.36Å; F316-Y319 WeakPolarHBondContact O-CB 3.41Å; F316-Y319 PolarHBondContact O-N 3.48Å; Y319-P321 HydrophobicContact CD1-CG 3.85Å; Y319-P321 HydrophobicContact CE1-CB 4.14Å; Y319-P321 HydrophobicContact CE1-CG 3.81Å; Y319-P321 WeakPolarHBondContact O-CD 3.47Å; Y319-Y326 AromaticContact CD2-CE1 3.46Å; Y319-Y326 HydrophobicContact CD2-CE1 3.46Å; Y319-Y326 VanDerWaalsContact CD2-CE1 3.46Å; Y319-Y326 AromaticContact CD2-CZ 3.99Å; Y319-Y326 AromaticContact CE2-CE1 3.9Å; Y319-Y326 HydrophobicContact CE2-CE1 3.9Å; Y319-Y326 HydrophobicContact CG-CE1 4.14Å; Y319-F451 HydrophobicContact CE2-CE1 4.28Å; Y319-F451 AromaticContact CE2-CZ 3.93Å; Y319-F451 HydrophobicContact CE2-CZ 3.93Å; Y319-E710 VanDerWaalsContact CE1-CD 3.44Å; Y319-E710 HydrophobicContact CE1-CG 4.17Å; Y319-E710 WeakPolarHBondContact CE1-OE1 3.47Å; Y319-E710 WeakPolarHBondContact CE1-OE2 3.44Å; Y319-E710 WeakPolarHBondContact OH-CG 3.5Å
320R60.4Low70.8Confident168 Ų16877.3 Ų77.363%0.63439%0.388SS*.  trans-102.4100.3166.7-72.2-174174.9-173.6-2.7108.7N318 D322 D323N318-R320 PolarHBondContact O-N 2.84Å; N318-R320 VanDerWaalsContact O-N 3.09Å; R320-D322 PolarHBondContact O-N 3.46Å; R320-D323 HydrophobicContact CB-CB 3.92Å; R320-D323 PolarHBondContact O-N 3.49Å
321P57.3Low70.9Confident48 Ų4873.2 Ų73.231%0.31237%0.369SS..THydrogen-bonded Turntrans-62.8-25.9-178-15.927.5000113Y319 K327Y319-P321 HydrophobicContact CD1-CG 3.85Å; Y319-P321 HydrophobicContact CE1-CB 4.14Å; Y319-P321 HydrophobicContact CE1-CG 3.81Å; Y319-P321 WeakPolarHBondContact O-CD 3.47Å; P321-K327 WeakPolarHBondContact O-CE 3.2Å; P321-K327 PolarHBondContact O-NZ 3.23Å
322D61.8Low71.4Confident155 Ų15568.5 Ų68.583%0.82935%0.351SS*.THydrogen-bonded Turntrans-95.4-0.3-170.8-46.9-50.6000113.4R320 P324R320-D322 PolarHBondContact O-N 3.46Å; D322-P324 WeakPolarHBondContact O-CD 3.39Å
323D68.3Low71.9Confident57 Ų5769.3 Ų69.331%0.30535%0.354SS..  trans-104.6108.3-179.4-171.9-19.8000111R320 A325 Y326 K327R320-D323 HydrophobicContact CB-CB 3.92Å; R320-D323 PolarHBondContact O-N 3.49Å; D323-A325 PolarHBondContact O-N 3.2Å; D323-A325 VanDerWaalsContact OD1-CB 3.3Å; D323-A325 WeakPolarHBondContact OD1-CB 3.22Å; D323-A325 PolarHBondContact OD1-N 3.06Å; D323-Y326 WeakPolarHBondContact O-CB 3.27Å; D323-Y326 PolarHBondContact O-N 3.07Å; D323-Y326 VanDerWaalsContact O-N 3.08Å; D323-Y326 PolarHBondContact OD1-N 3.42Å; D323-K327 PolarHBondContact O-N 2.68Å
324P72Confident72.2Confident80 Ų8071 Ų7152%0.51936%0.362SS..Hα-helixtrans-59.9-30.1178.2-24.434.9000113.6D322 Y326 K327 T328D322-P324 WeakPolarHBondContact O-CD 3.39Å; P324-Y326 VanDerWaalsContact C-N 3.33Å; P324-K327 PolarHBondContact O-N 2.85Å; P324-T328 WeakPolarHBondContact O-CB 3.34Å; P324-T328 PolarHBondContact O-N 2.83Å; P324-T328 PolarHBondContact O-OG1 3.13Å
325A75.5Confident73Confident67 Ų6768.5 Ų68.555%0.55435%0.345SS*.Hα-helixtrans-69.5-34.8177.500000111D323 K329D323-A325 PolarHBondContact O-N 3.2Å; D323-A325 VanDerWaalsContact OD1-CB 3.3Å; D323-A325 WeakPolarHBondContact OD1-CB 3.22Å; D323-A325 PolarHBondContact OD1-N 3.06Å; A325-K329 WeakPolarHBondContact O-CB 3.37Å; A325-K329 PolarHBondContact O-N 2.88Å
326Y73.5Confident74.1Confident50 Ų5069.3 Ų69.320%0.19635%0.346CS..Hα-helixtrans-66.2-48.3173.4180-95.5000111.8N318 Y319 D323 P324 T328 K329 A330N318-Y326 HydrophobicContact CB-CE2 4.33Å; N318-Y326 WeakPolarHBondContact O-CD2 3.29Å; N318-Y326 WeakPolarHBondContact O-CE2 3.49Å; N318-Y326 VanDerWaalsContact O-CZ 3.29Å; Y319-Y326 AromaticContact CD2-CE1 3.46Å; Y319-Y326 HydrophobicContact CD2-CE1 3.46Å; Y319-Y326 VanDerWaalsContact CD2-CE1 3.46Å; Y319-Y326 AromaticContact CD2-CZ 3.99Å; Y319-Y326 AromaticContact CE2-CE1 3.9Å; Y319-Y326 HydrophobicContact CE2-CE1 3.9Å; Y319-Y326 HydrophobicContact CG-CE1 4.14Å; D323-Y326 WeakPolarHBondContact O-CB 3.27Å; D323-Y326 PolarHBondContact O-N 3.07Å; D323-Y326 VanDerWaalsContact O-N 3.08Å; D323-Y326 PolarHBondContact OD1-N 3.42Å; P324-Y326 VanDerWaalsContact C-N 3.33Å; Y326-T328 VanDerWaalsContact C-N 3.31Å; Y326-T328 PolarHBondContact O-N 3.4Å; Y326-K329 PolarHBondContact O-N 2.96Å; Y326-K329 VanDerWaalsContact O-N 3.15Å; Y326-A330 HydrophobicContact CE1-CB 4.24Å; Y326-A330 WeakPolarHBondContact O-CB 3.37Å; Y326-A330 PolarHBondContact O-N 3.41Å
327K75.4Confident75.1Confident35 Ų3572 Ų7215%0.15237%0.367CS..Hα-helixtrans-57.5-43.8176.7-67.5-172.9-170.8175.10112.4P321 D323 P324 K329 A330 L331 N705 M708P321-K327 WeakPolarHBondContact O-CE 3.2Å; P321-K327 PolarHBondContact O-NZ 3.23Å; D323-K327 PolarHBondContact O-N 2.68Å; P324-K327 PolarHBondContact O-N 2.85Å; K327-K329 VanDerWaalsContact C-N 3.35Å; K327-K329 PolarHBondContact O-N 3.46Å; K327-A330 PolarHBondContact O-N 3.11Å; K327-L331 WeakPolarHBondContact O-CB 3.13Å; K327-L331 PolarHBondContact O-N 3.14Å; K327-N705 WeakPolarHBondContact CD-OD1 3.5Å; K327-N705 PolarHBondContact NZ-OD1 3.03Å; K327-M708 HydrophobicContact CB-CB 4.48Å; K327-M708 HydrophobicContact CB-CG 4.36Å; K327-M708 HydrophobicContact CD-CB 4.31Å; K327-M708 HydrophobicContact CG-CB 4.42Å
328T81.5Confident76.7Confident55 Ų5565.4 Ų65.434%0.33734%0.342SS..Hα-helixtrans-59.2-44.6176.6-580000111.5P324 Y326 L332 Y700P324-T328 WeakPolarHBondContact O-CB 3.34Å; P324-T328 PolarHBondContact O-N 2.83Å; P324-T328 PolarHBondContact O-OG1 3.13Å; Y326-T328 VanDerWaalsContact C-N 3.31Å; Y326-T328 PolarHBondContact O-N 3.4Å; T328-L332 PolarHBondContact O-N 3.23Å; T328-L332 VanDerWaalsContact O-N 3.13Å; T328-Y700 HydrophobicContact CG2-CE1 4.05Å; T328-Y700 VanDerWaalsContact CG2-OH 3.29Å; T328-Y700 WeakPolarHBondContact CG2-OH 3.2Å; T328-Y700 PolarHBondContact O-OH 3.13Å
329K82.4Confident78.4Confident122 Ų12262.1 Ų62.153%0.5332%0.323SS..Hα-helixtrans-67.8-42176.6-175.9-178.7175.9-175.30112.4A325 Y326 K327 L332 Q333A325-K329 WeakPolarHBondContact O-CB 3.37Å; A325-K329 PolarHBondContact O-N 2.88Å; Y326-K329 PolarHBondContact O-N 2.96Å; Y326-K329 VanDerWaalsContact O-N 3.15Å; K327-K329 VanDerWaalsContact C-N 3.35Å; K327-K329 PolarHBondContact O-N 3.46Å; K329-L332 WeakPolarHBondContact O-CB 3.31Å; K329-L332 PolarHBondContact O-N 3.48Å; K329-Q333 WeakPolarHBondContact O-CG 3.35Å; K329-Q333 PolarHBondContact O-N 3.43Å
330A80.2Confident79.9Confident9 Ų962.8 Ų62.87%0.07433%0.334CS..Hα-helixtrans-63.8-45.8178.300000111.2Y326 K327 L332 Q333 M334 M708Y326-A330 HydrophobicContact CE1-CB 4.24Å; Y326-A330 WeakPolarHBondContact O-CB 3.37Å; Y326-A330 PolarHBondContact O-N 3.41Å; K327-A330 PolarHBondContact O-N 3.11Å; A330-L332 PolarHBondContact O-N 2.88Å; A330-Q333 PolarHBondContact O-N 3.09Å; A330-M334 WeakPolarHBondContact O-CG 3.17Å; A330-M334 PolarHBondContact O-N 2.69Å; A330-M708 HydrophobicContact CB-CE 3.74Å
331L86Confident81.2Confident0 Ų056.3 Ų56.30%031%0.31CS..Hα-helixtrans-54.3-49.9172.8176.661.1000111.5K327 Q333 M334 V335 L454 Y700 P704 M708K327-L331 WeakPolarHBondContact O-CB 3.13Å; K327-L331 PolarHBondContact O-N 3.14Å; L331-Q333 PolarHBondContact O-N 2.93Å; L331-M334 PolarHBondContact O-N 3.32Å; L331-V335 HydrophobicContact CD1-CG2 4.05Å; L331-V335 VanDerWaalsContact O-CG2 3.27Å; L331-V335 WeakPolarHBondContact O-CG2 3.47Å; L331-V335 PolarHBondContact O-N 2.98Å; L331-L454 HydrophobicContact CD1-CD1 3.44Å; L331-L454 VanDerWaalsContact CD1-CD1 3.44Å; L331-L454 HydrophobicContact CD1-CD2 3.89Å; L331-L454 HydrophobicContact CD1-CG 4.33Å; L331-Y700 HydrophobicContact CD2-CD1 4.28Å; L331-Y700 HydrophobicContact CD2-CE1 3.91Å; L331-P704 HydrophobicContact CD2-CB 4.29Å; L331-M708 HydrophobicContact CB-CG 4.38Å; L331-M708 HydrophobicContact CB-SD 3.92Å; L331-M708 HydrophobicContact CD1-SD 4.19Å
332L87.5Confident82.9Confident57 Ų5754.1 Ų54.130%0.29830%0.296SS..Hα-helixtrans-56.2-48.4175.8171.665.4000112.1T328 K329 A330 V335 Q336 L696T328-L332 PolarHBondContact O-N 3.23Å; T328-L332 VanDerWaalsContact O-N 3.13Å; K329-L332 WeakPolarHBondContact O-CB 3.31Å; K329-L332 PolarHBondContact O-N 3.48Å; A330-L332 PolarHBondContact O-N 2.88Å; L332-V335 PolarHBondContact O-N 3.26Å; L332-Q336 HydrophobicContact CD1-CG 4.14Å; L332-Q336 WeakPolarHBondContact O-CB 3.45Å; L332-Q336 VanDerWaalsContact O-CG 3.29Å; L332-Q336 WeakPolarHBondContact O-CG 3.06Å; L332-Q336 PolarHBondContact O-N 3.49Å; L332-L696 HydrophobicContact CD1-CD2 3.52Å
333Q86.6Confident84.2Confident103 Ų10347.8 Ų47.848%0.48126%0.264SS..Hα-helixtrans-64.8-39.8-179.1-73.1-179.1-57.700112.3K329 A330 L331 S337K329-Q333 WeakPolarHBondContact O-CG 3.35Å; K329-Q333 PolarHBondContact O-N 3.43Å; A330-Q333 PolarHBondContact O-N 3.09Å; L331-Q333 PolarHBondContact O-N 2.93Å; Q333-S337 WeakPolarHBondContact O-CB 3.47Å; Q333-S337 PolarHBondContact O-N 3.23Å
334M86.2Confident85.2Confident38 Ų3848.9 Ų48.919%0.18727%0.267CS..Hα-helixtrans-68.1-42.5177.8-68.6-167.284.800112.2A330 L331 S337 F338 V448 F451 L454 M708A330-M334 WeakPolarHBondContact O-CG 3.17Å; A330-M334 PolarHBondContact O-N 2.69Å; L331-M334 PolarHBondContact O-N 3.32Å; M334-S337 PolarHBondContact O-N 3.43Å; M334-F338 VanDerWaalsContact O-CB 3.3Å; M334-F338 WeakPolarHBondContact O-CB 3.33Å; M334-F338 PolarHBondContact O-N 3.47Å; M334-V448 HydrophobicContact CE-CB 4.34Å; M334-V448 HydrophobicContact CE-CG1 3.92Å; M334-F451 HydrophobicContact CE-CD2 3.81Å; M334-F451 HydrophobicContact CE-CE2 4.11Å; M334-F451 HydrophobicContact SD-CD2 3.36Å; M334-F451 WeakPolarHBondContact SD-CD2 3.34Å; M334-F451 HydrophobicContact SD-CE2 3.43Å; M334-F451 WeakPolarHBondContact SD-CE2 3.19Å; M334-L454 HydrophobicContact CB-CD2 4.42Å; M334-L454 HydrophobicContact SD-CD2 4.19Å; M334-M708 HydrophobicContact SD-CE 4.29Å
335V89.4Confident86Confident4 Ų445.9 Ų45.92%0.02425%0.247CC..Hα-helixtrans-65.8-39.4177.2176.30000111.2L331 L332 F338 E339 L695 L696 L699L331-V335 HydrophobicContact CD1-CG2 4.05Å; L331-V335 VanDerWaalsContact O-CG2 3.27Å; L331-V335 WeakPolarHBondContact O-CG2 3.47Å; L331-V335 PolarHBondContact O-N 2.98Å; L332-V335 PolarHBondContact O-N 3.26Å; V335-F338 PolarHBondContact O-N 3.38Å; V335-E339 PolarHBondContact O-N 2.98Å; V335-L695 HydrophobicContact CG1-CD2 4Å; V335-L695 HydrophobicContact CG1-CG 4.2Å; V335-L696 HydrophobicContact CB-CD1 4.17Å; V335-L696 HydrophobicContact CG1-CB 4.07Å; V335-L696 HydrophobicContact CG1-CD1 4.25Å; V335-L696 HydrophobicContact CG2-CD1 4.13Å; V335-L699 HydrophobicContact CG1-CD1 4.41Å; V335-L699 HydrophobicContact CG2-CD1 3.39Å
336Q90.1Very high86.6Confident112 Ų11243.5 Ų43.552%0.52323%0.225SC..Hα-helixtrans-64.7-41.8173.4-75.1178.3-21.700112.6L332 A340L332-Q336 HydrophobicContact CD1-CG 4.14Å; L332-Q336 WeakPolarHBondContact O-CB 3.45Å; L332-Q336 VanDerWaalsContact O-CG 3.29Å; L332-Q336 WeakPolarHBondContact O-CG 3.06Å; L332-Q336 PolarHBondContact O-N 3.49Å; Q336-A340 WeakPolarHBondContact O-CB 3.38Å; Q336-A340 PolarHBondContact O-N 2.97Å
337S89.2Confident87.2Confident76 Ų7643.8 Ų43.853%0.53123%0.234SC..Hα-helixtrans-64.4-41.8175.9-166.80000111.7Q333 M334 A340 E341Q333-S337 WeakPolarHBondContact O-CB 3.47Å; Q333-S337 PolarHBondContact O-N 3.23Å; M334-S337 PolarHBondContact O-N 3.43Å; S337-A340 PolarHBondContact O-N 3.1Å; S337-E341 VanDerWaalsContact O-CB 3.32Å; S337-E341 WeakPolarHBondContact O-CB 3.4Å; S337-E341 PolarHBondContact O-N 3.5Å
338F91.6Very high87.4Confident5 Ų545 Ų452%0.02226%0.256CS..Hα-helixtrans-64.7-44177.1172.6-94.9000112.3M334 V335 E341 F342 L441 C444 V448 I458 V462 L691 L695M334-F338 VanDerWaalsContact O-CB 3.3Å; M334-F338 WeakPolarHBondContact O-CB 3.33Å; M334-F338 PolarHBondContact O-N 3.47Å; V335-F338 PolarHBondContact O-N 3.38Å; F338-E341 PolarHBondContact O-N 3.32Å; F338-F342 WeakPolarHBondContact O-CB 3.13Å; F338-F342 PolarHBondContact O-N 3.37Å; F338-L441 HydrophobicContact CE2-CD1 4.19Å; F338-L441 HydrophobicContact CZ-CD1 3.59Å; F338-C444 HydrophobicContact CD2-CB 3.84Å; F338-C444 HydrophobicContact CE2-CB 3.56Å; F338-C444 HydrophobicContact CZ-CB 4.49Å; F338-V448 HydrophobicContact CD2-CG2 4.26Å; F338-I458 HydrophobicContact CD1-CG2 4.12Å; F338-I458 HydrophobicContact CD2-CG2 4.47Å; F338-I458 HydrophobicContact CE1-CG2 3.56Å; F338-I458 HydrophobicContact CE2-CG2 3.96Å; F338-I458 HydrophobicContact CZ-CG2 3.48Å; F338-I458 VanDerWaalsContact CZ-CG2 3.48Å; F338-V462 HydrophobicContact CE1-CG2 4.46Å; F338-L691 HydrophobicContact CE1-CD2 3.82Å; F338-L695 HydrophobicContact CD1-CD2 4.04Å; F338-L695 HydrophobicContact CE1-CD2 4.02Å
339E92.4Very high87.2Confident40 Ų4049.2 Ų49.219%0.18727%0.272CS..Hα-helixtrans-60.9-50.4173.8-177.3-84.2125.400111.3V335 E341 F342 S343 L691 K692V335-E339 PolarHBondContact O-N 2.98Å; E339-E341 VanDerWaalsContact C-N 3.3Å; E339-E341 PolarHBondContact O-N 3.45Å; E339-F342 PolarHBondContact O-N 3.02Å; E339-S343 VanDerWaalsContact O-CB 3.25Å; E339-S343 WeakPolarHBondContact O-CB 3.35Å; E339-S343 PolarHBondContact O-N 3.41Å; E339-S343 PolarHBondContact O-OG 2.87Å; E339-S343 WeakPolarHBondContact OE1-CB 3.35Å; E339-S343 PolarHBondContact OE1-OG 3.36Å; E339-L691 HydrophobicContact CB-CB 4.38Å; E339-L691 HydrophobicContact CG-CB 3.85Å; E339-K692 HydrophobicContact CG-CB 4.19Å
340A90.4Very high86.5Confident37 Ų3745.5 Ų45.531%0.30626%0.259SS..Hα-helixtrans-59.1-42.3-179.500000111.7Q336 S337 Q344Q336-A340 WeakPolarHBondContact O-CB 3.38Å; Q336-A340 PolarHBondContact O-N 2.97Å; S337-A340 PolarHBondContact O-N 3.1Å; A340-Q344 WeakPolarHBondContact O-CB 3.18Å; A340-Q344 WeakPolarHBondContact O-CG 3.47Å; A340-Q344 PolarHBondContact O-N 3.06Å
341E89.1Confident85.7Confident32 Ų3249.6 Ų49.615%0.1529%0.293CS..Hα-helixtrans-67.9-46.2177.9-176.4170.1159.100112.7S337 F338 E339 S343 Q344 N345 K447S337-E341 VanDerWaalsContact O-CB 3.32Å; S337-E341 WeakPolarHBondContact O-CB 3.4Å; S337-E341 PolarHBondContact O-N 3.5Å; F338-E341 PolarHBondContact O-N 3.32Å; E339-E341 VanDerWaalsContact C-N 3.3Å; E339-E341 PolarHBondContact O-N 3.45Å; E341-S343 VanDerWaalsContact C-N 3.3Å; E341-S343 PolarHBondContact O-N 3.1Å; E341-Q344 PolarHBondContact O-N 3.37Å; E341-Q344 VanDerWaalsContact O-N 3.13Å; E341-N345 WeakPolarHBondContact O-CB 3.48Å; E341-N345 PolarHBondContact O-N 2.95Å; E341-K447 WeakPolarHBondContact OE1-CD 3.45Å; E341-K447 WeakPolarHBondContact OE1-CE 3.34Å; E341-K447 IonicContact OE1-NZ 3.62Å; E341-K447 PolarHBondContact OE1-NZ 3.21Å; E341-K447 WeakPolarHBondContact OE2-CD 3.41Å; E341-K447 IonicContact OE2-NZ 2.75Å; E341-K447 PolarHBondContact OE2-NZ 3.22Å
342F91.4Very high84.7Confident3 Ų356.7 Ų56.71%0.01333%0.331CS..Hα-helixtrans-59.3-45.1175.2-174.3-83.7000110.7F338 E339 Q344 N345 I346 L437 V440 L441 I687 L691F338-F342 WeakPolarHBondContact O-CB 3.13Å; F338-F342 PolarHBondContact O-N 3.37Å; E339-F342 PolarHBondContact O-N 3.02Å; F342-Q344 VanDerWaalsContact C-N 3.33Å; F342-Q344 PolarHBondContact O-N 3.11Å; F342-N345 PolarHBondContact O-N 3.48Å; F342-I346 HydrophobicContact CD1-CG1 4.15Å; F342-I346 HydrophobicContact CE1-CG1 3.83Å; F342-I346 HydrophobicContact CZ-CG1 4.19Å; F342-I346 WeakPolarHBondContact O-CG1 3.43Å; F342-I346 PolarHBondContact O-N 2.95Å; F342-L437 HydrophobicContact CZ-CD2 4.1Å; F342-V440 HydrophobicContact CD2-CG1 3.83Å; F342-V440 HydrophobicContact CE2-CB 4.38Å; F342-V440 HydrophobicContact CE2-CG1 3.88Å; F342-L441 HydrophobicContact CE2-CB 4.46Å; F342-I687 HydrophobicContact CE1-CG2 3.67Å; F342-I687 HydrophobicContact CZ-CG2 3.84Å; F342-L691 HydrophobicContact CB-CD1 3.96Å; F342-L691 HydrophobicContact CD1-CD1 3.23Å; F342-L691 HydrophobicContact CD2-CD1 4.26Å; F342-L691 HydrophobicContact CE1-CD1 3.71Å; F342-L691 HydrophobicContact CG-CD1 3.55Å; F342-L691 HydrophobicContact CZ-CD1 4.4Å
343S90.6Very high83.6Confident22 Ų2259 Ų5915%0.15435%0.348CS..Hα-helixtrans-59.4-39.5174.3-80.70000112.3E339 E341 S347E339-S343 VanDerWaalsContact O-CB 3.25Å; E339-S343 WeakPolarHBondContact O-CB 3.35Å; E339-S343 PolarHBondContact O-N 3.41Å; E339-S343 PolarHBondContact O-OG 2.87Å; E339-S343 WeakPolarHBondContact OE1-CB 3.35Å; E339-S343 PolarHBondContact OE1-OG 3.36Å; E341-S343 VanDerWaalsContact C-N 3.3Å; E341-S343 PolarHBondContact O-N 3.1Å; S343-S347 WeakPolarHBondContact O-CB 3.44Å; S343-S347 PolarHBondContact O-N 2.88Å; S343-S347 VanDerWaalsContact O-N 3.11Å; S343-S347 PolarHBondContact O-OG 3.21Å
344Q89Confident82.8Confident79 Ų7958.4 Ų58.437%0.36935%0.348SS..Hα-helixtrans-70.5-44.6176.2-76.6170.115.800112.9A340 E341 F342 I346 S347 G348 H349A340-Q344 WeakPolarHBondContact O-CB 3.18Å; A340-Q344 WeakPolarHBondContact O-CG 3.47Å; A340-Q344 PolarHBondContact O-N 3.06Å; E341-Q344 PolarHBondContact O-N 3.37Å; E341-Q344 VanDerWaalsContact O-N 3.13Å; F342-Q344 VanDerWaalsContact C-N 3.33Å; F342-Q344 PolarHBondContact O-N 3.11Å; Q344-I346 VanDerWaalsContact C-N 3.33Å; Q344-I346 PolarHBondContact O-N 3.32Å; Q344-S347 CarbonylContact O-C 3.54Å; Q344-S347 PolarHBondContact O-N 3.42Å; Q344-S347 VanDerWaalsContact O-N 3.13Å; Q344-G348 PolarHBondContact O-N 3.42Å; Q344-H349 HydrophobicContact CB-CB 4.49Å; Q344-H349 HydrophobicContact CG-CB 4.21Å; Q344-H349 PolarHBondContact O-N 2.81Å
345N87.8Confident82.2Confident17 Ų1763 Ų639%0.09138%0.377CS..Hα-helixtrans-61.4-38.4177.9-83.5-28.1000112.5E341 F342 V350 G361 V440 C444E341-N345 WeakPolarHBondContact O-CB 3.48Å; E341-N345 PolarHBondContact O-N 2.95Å; F342-N345 PolarHBondContact O-N 3.48Å; N345-V350 WeakPolarHBondContact OD1-CG2 3.5Å; N345-G361 PolarHBondContact O-N 3.36Å; N345-V440 HydrophobicContact CB-CG1 3.83Å; N345-C444 PolarHBondContact ND2-SG 2.85Å
346I89Confident81.3Confident17 Ų1771.1 Ų71.19%0.08742%0.415CS..Hα-helixtrans-76.7-27.4175.3-61.1-61.9000112.2F342 Q344 G361 I364 L437 V440 I684F342-I346 HydrophobicContact CD1-CG1 4.15Å; F342-I346 HydrophobicContact CE1-CG1 3.83Å; F342-I346 HydrophobicContact CZ-CG1 4.19Å; F342-I346 WeakPolarHBondContact O-CG1 3.43Å; F342-I346 PolarHBondContact O-N 2.95Å; Q344-I346 VanDerWaalsContact C-N 3.33Å; Q344-I346 PolarHBondContact O-N 3.32Å; I346-G361 WeakPolarHBondContact O-CA 3.38Å; I346-I364 HydrophobicContact CD1-CD1 3.85Å; I346-L437 HydrophobicContact CD1-CD2 3.7Å; I346-L437 HydrophobicContact CG1-CD2 4.48Å; I346-V440 HydrophobicContact CD1-CB 4.36Å; I346-V440 HydrophobicContact CD1-CG1 4.11Å; I346-V440 HydrophobicContact CD1-CG2 4.08Å; I346-V440 HydrophobicContact CG1-CG1 4.42Å; I346-I684 HydrophobicContact CG2-CG2 3.75Å
347S85.6Confident80.6Confident56 Ų5671.2 Ų71.239%0.39242%0.418SS..Hα-helixtrans-99-1.5-176.7-43.90000114.1S343 Q344 H349 K688S343-S347 WeakPolarHBondContact O-CB 3.44Å; S343-S347 PolarHBondContact O-N 2.88Å; S343-S347 VanDerWaalsContact O-N 3.11Å; S343-S347 PolarHBondContact O-OG 3.21Å; Q344-S347 CarbonylContact O-C 3.54Å; Q344-S347 PolarHBondContact O-N 3.42Å; Q344-S347 VanDerWaalsContact O-N 3.13Å; S347-H349 PolarHBondContact O-CE1 3.49Å; S347-H349 PolarHBondContact O-ND1 2.98Å; S347-K688 PolarHBondContact OG-NZ 3.09Å
348G80.1Confident79.9Confident60 Ų6072.1 Ų72.162%0.61942%0.417SS*.THydrogen-bonded Turntrans72.522.8-179.100000115.4Q344Q344-G348 PolarHBondContact O-N 3.42Å
349H76.1Confident79.2Confident145 Ų14574.1 Ų74.167%0.67143%0.431SS*.  trans-107.233.2-175.6-72.166.4000112.7Q344 S347Q344-H349 HydrophobicContact CB-CB 4.49Å; Q344-H349 HydrophobicContact CG-CB 4.21Å; Q344-H349 PolarHBondContact O-N 2.81Å; S347-H349 PolarHBondContact O-CE1 3.49Å; S347-H349 PolarHBondContact O-ND1 2.98Å
350V67.6Low78.7Confident43 Ų4372.3 Ų72.326%0.26142%0.424SS..  trans-76.1137.2-179.3-1680000109.8N345 V353N345-V350 WeakPolarHBondContact OD1-CG2 3.5Å; V350-V353 WeakPolarHBondContact O-CG2 3.21Å
351A63.7Low78.5Confident95 Ų9571.4 Ų71.479%0.78542%0.417SS*.SBendtrans-63.5-44.1-179.100000112.8
352D65.4Low78.4Confident150 Ų15072 Ų7280%0.80243%0.428SS*.SBendtrans-101.294.5174.5-68.9-43.9000110.1N354D352-N354 PolarHBondContact O-N 3.18Å
353V65.3Low78.3Confident106 Ų10674.4 Ų74.464%0.64244%0.439SS*.  trans-77.7114.3178.8-178.20000110V350 T355V350-V353 WeakPolarHBondContact O-CG2 3.21Å; V353-T355 PolarHBondContact O-N 3.4Å
354N68.3Low78.4Confident90 Ų9073.6 Ų73.648%0.48143%0.433SS..  trans-65.7119.7172.8-173.3-22.9000110.3D352 Q356 I357D352-N354 PolarHBondContact O-N 3.18Å; N354-Q356 PolarHBondContact OD1-N 3.27Å; N354-I357 PolarHBondContact OD1-N 2.98Å
355T74.8Confident78.5Confident133 Ų13374.2 Ų74.282%0.81644%0.439SS*.SBendtrans-88.8-6.5-17752.90000114.4V353V353-T355 PolarHBondContact O-N 3.4Å
356Q70.4Confident78.7Confident176 Ų17679.6 Ų79.682%0.82246%0.458SS*.SBendtrans-102.2-26.4-175-61-174.94.200113.6N354N354-Q356 PolarHBondContact OD1-N 3.27Å
357I74.3Confident78.9Confident113 Ų11379.3 Ų79.358%0.57946%0.457SS*.SBendtrans-136.3133.4-170.2-53.7178.8000109.8N354N354-I357 PolarHBondContact OD1-N 2.98Å
358L75.7Confident79.3Confident95 Ų9577.1 Ų77.150%0.49744%0.441SS..  trans-68.7127.9169.8-66.3169.9000109.6A362 E363L358-A362 HydrophobicContact CD2-CB 4.09Å; L358-E363 HydrophobicContact CB-CG 4.08Å; L358-E363 WeakPolarHBondContact O-CG 3.25Å
359S76.1Confident79.7Confident48 Ų4879.6 Ų79.634%0.33644%0.436SS..  trans-124.1154.5179.662.30000113G361 A362S359-G361 PolarHBondContact O-N 2.89Å; S359-A362 WeakPolarHBondContact O-CB 3.25Å; S359-A362 PolarHBondContact O-N 2.95Å
360G81.4Confident80.3Confident2 Ų278.1 Ų78.12%0.02143%0.429CS..THydrogen-bonded Turntrans45.9-114.1168.300000115.2A362 E363 I364 V440G360-A362 PolarHBondContact O-N 3.26Å; G360-A362 VanDerWaalsContact O-N 3.16Å; G360-E363 PolarHBondContact O-N 3.31Å; G360-E363 VanDerWaalsContact O-N 3.09Å; G360-I364 PolarHBondContact O-N 3.23Å; G360-I364 VanDerWaalsContact O-N 3.12Å; G360-V440 VanDerWaalsContact CA-CG2 3.42Å
361G87.2Confident81.3Confident17 Ų1781 Ų8118%0.17544%0.435CS..Hα-helixtrans-56-31.1-177.100000114.4N345 I346 S359 I364 N365N345-G361 PolarHBondContact O-N 3.36Å; I346-G361 WeakPolarHBondContact O-CA 3.38Å; S359-G361 PolarHBondContact O-N 2.89Å; G361-I364 PolarHBondContact O-N 3.42Å; G361-N365 WeakPolarHBondContact O-CB 3.35Å; G361-N365 PolarHBondContact O-N 3.09Å
362A87.5Confident82.6Confident45 Ų4576.6 Ų76.637%0.37240%0.399SS..Hα-helixtrans-72.3-37.1178.200000112.3L358 S359 G360 N365 R366L358-A362 HydrophobicContact CD2-CB 4.09Å; S359-A362 WeakPolarHBondContact O-CB 3.25Å; S359-A362 PolarHBondContact O-N 2.95Å; G360-A362 PolarHBondContact O-N 3.26Å; G360-A362 VanDerWaalsContact O-N 3.16Å; A362-N365 PolarHBondContact O-N 3.5Å; A362-R366 PolarHBondContact O-N 3.44Å; A362-R366 VanDerWaalsContact O-N 3.11Å
363E88.9Confident83.7Confident53 Ų5375.5 Ų75.525%0.24838%0.383CS..Hα-helixtrans-67.5-40.6173-66.1-161.1105.200111.5L358 G360 N365 R366 V367 K436L358-E363 HydrophobicContact CB-CG 4.08Å; L358-E363 WeakPolarHBondContact O-CG 3.25Å; G360-E363 PolarHBondContact O-N 3.31Å; G360-E363 VanDerWaalsContact O-N 3.09Å; E363-N365 VanDerWaalsContact C-N 3.34Å; E363-N365 PolarHBondContact O-N 3.01Å; E363-R366 WeakPolarHBondContact O-CB 3.41Å; E363-R366 PolarHBondContact O-N 3.09Å; E363-R366 VanDerWaalsContact O-N 3.16Å; E363-V367 WeakPolarHBondContact O-CG2 3.46Å; E363-V367 PolarHBondContact O-N 2.83Å; E363-K436 HydrophobicContact CB-CD 4.46Å; E363-K436 HydrophobicContact CB-CG 4.31Å; E363-K436 VanDerWaalsContact CD-CE 3.45Å; E363-K436 VanDerWaalsContact OE1-CE 3.31Å; E363-K436 WeakPolarHBondContact OE1-CE 3.44Å; E363-K436 IonicContact OE1-NZ 3.86Å; E363-K436 PolarHBondContact OE1-NZ 3.33Å; E363-K436 WeakPolarHBondContact OE2-CD 3.36Å; E363-K436 WeakPolarHBondContact OE2-CE 3.45Å; E363-K436 IonicContact OE2-NZ 2.75Å; E363-K436 PolarHBondContact OE2-NZ 3.02Å
364I92.1Very high84.7Confident6 Ų676.9 Ų76.93%0.03138%0.378CS..Hα-helixtrans-60.9-43.4175.4-66.3172.2000110.8I346 G360 G361 R366 V367 F368 V433 K436 L437 I684I346-I364 HydrophobicContact CD1-CD1 3.85Å; G360-I364 PolarHBondContact O-N 3.23Å; G360-I364 VanDerWaalsContact O-N 3.12Å; G361-I364 PolarHBondContact O-N 3.42Å; I364-R366 VanDerWaalsContact C-N 3.3Å; I364-R366 PolarHBondContact O-N 3.25Å; I364-V367 WeakPolarHBondContact O-CB 3.32Å; I364-V367 PolarHBondContact O-N 2.69Å; I364-V367 VanDerWaalsContact O-N 3.16Å; I364-F368 HydrophobicContact CG2-CD2 4.08Å; I364-F368 HydrophobicContact CG2-CE2 3.48Å; I364-F368 VanDerWaalsContact CG2-CE2 3.48Å; I364-F368 HydrophobicContact CG2-CZ 3.83Å; I364-F368 PolarHBondContact O-N 3.41Å; I364-F368 VanDerWaalsContact O-N 3.12Å; I364-V433 HydrophobicContact CD1-CG1 4.49Å; I364-V433 HydrophobicContact CG1-CG1 4.46Å; I364-V433 HydrophobicContact CG2-CG1 4.32Å; I364-V433 HydrophobicContact CG2-CG2 4.33Å; I364-K436 HydrophobicContact CG1-CB 4.08Å; I364-L437 HydrophobicContact CD1-CD2 4.02Å; I364-L437 HydrophobicContact CD1-CG 4.31Å; I364-I684 HydrophobicContact CD1-CD1 4.27Å; I364-I684 HydrophobicContact CG2-CD1 3.86Å
365N91.7Very high85.6Confident92 Ų9273.5 Ų73.549%0.49236%0.36SS..Hα-helixtrans-57.7-43.5174.6-171.4-80.6000111.7G361 A362 E363 V367 F368 H369G361-N365 WeakPolarHBondContact O-CB 3.35Å; G361-N365 PolarHBondContact O-N 3.09Å; A362-N365 PolarHBondContact O-N 3.5Å; E363-N365 VanDerWaalsContact C-N 3.34Å; E363-N365 PolarHBondContact O-N 3.01Å; N365-V367 PolarHBondContact O-N 2.93Å; N365-F368 PolarHBondContact O-N 3.31Å; N365-H369 PolarHBondContact O-CD2 3.04Å; N365-H369 PolarHBondContact O-N 3.33Å; N365-H369 PolarHBondContact OD1-CD2 2.93Å
366R91.7Very high86.2Confident130 Ų13067.6 Ų67.649%0.49132%0.323SS..Hα-helixtrans-62.1-39.8175.7-165.4-178.6-178.4-166-1.4112.7A362 E363 I364 E370 R371A362-R366 PolarHBondContact O-N 3.44Å; A362-R366 VanDerWaalsContact O-N 3.11Å; E363-R366 WeakPolarHBondContact O-CB 3.41Å; E363-R366 PolarHBondContact O-N 3.09Å; E363-R366 VanDerWaalsContact O-N 3.16Å; I364-R366 VanDerWaalsContact C-N 3.3Å; I364-R366 PolarHBondContact O-N 3.25Å; R366-E370 HydrophobicContact CG-CB 4.18Å; R366-E370 HydrophobicContact CG-CG 4.16Å; R366-E370 WeakPolarHBondContact CG-OE2 3.32Å; R366-E370 IonicContact CZ-OE2 3.59Å; R366-E370 IonicContact NE-OE1 3.91Å; R366-E370 IonicContact NE-OE2 2.72Å; R366-E370 PolarHBondContact NE-OE2 2.93Å; R366-E370 IonicContact NH2-OE2 3.51Å; R366-E370 PolarHBondContact NH2-OE2 3.21Å; R366-E370 WeakPolarHBondContact O-CB 3.47Å; R366-E370 PolarHBondContact O-N 3.1Å; R366-R371 PolarHBondContact O-N 2.82Å; R366-R371 VanDerWaalsContact O-N 3.1Å
367V93.3Very high86.7Confident11 Ų1162.8 Ų62.87%0.06730%0.303CS..Iπ-helixtrans-58.9-47.6174.4174.60000110.5E363 I364 N365 F372 M432 V433E363-V367 WeakPolarHBondContact O-CG2 3.46Å; E363-V367 PolarHBondContact O-N 2.83Å; I364-V367 WeakPolarHBondContact O-CB 3.32Å; I364-V367 PolarHBondContact O-N 2.69Å; I364-V367 VanDerWaalsContact O-N 3.16Å; N365-V367 PolarHBondContact O-N 2.93Å; V367-F372 VanDerWaalsContact O-CB 3.3Å; V367-F372 WeakPolarHBondContact O-CB 3.37Å; V367-F372 PolarHBondContact O-N 2.89Å; V367-M432 HydrophobicContact CG1-CB 3.81Å; V367-M432 HydrophobicContact CG2-CB 4.26Å; V367-M432 HydrophobicContact CG2-CE 4.33Å; V367-V433 HydrophobicContact CB-CG2 4.37Å; V367-V433 HydrophobicContact CG1-CG2 3.91Å
368F93.7Very high86.7Confident10 Ų1064.6 Ų64.64%0.04431%0.306CS..Iπ-helixtrans-67.9-46.2-179.5-63.1-37.2000114I364 N365 V433 P676 I679 M680 I684I364-F368 HydrophobicContact CG2-CD2 4.08Å; I364-F368 HydrophobicContact CG2-CE2 3.48Å; I364-F368 VanDerWaalsContact CG2-CE2 3.48Å; I364-F368 HydrophobicContact CG2-CZ 3.83Å; I364-F368 PolarHBondContact O-N 3.41Å; I364-F368 VanDerWaalsContact O-N 3.12Å; N365-F368 PolarHBondContact O-N 3.31Å; F368-V433 HydrophobicContact CD1-CG2 4.41Å; F368-V433 HydrophobicContact CE1-CG2 3.67Å; F368-V433 HydrophobicContact CZ-CG2 4.01Å; F368-P676 HydrophobicContact CB-CB 4.14Å; F368-P676 HydrophobicContact CB-CG 4.03Å; F368-P676 HydrophobicContact CD1-CB 3.76Å; F368-P676 HydrophobicContact CD1-CG 3.92Å; F368-P676 HydrophobicContact CD2-CB 4.08Å; F368-P676 HydrophobicContact CE1-CB 4.11Å; F368-P676 HydrophobicContact CE2-CB 4.4Å; F368-P676 HydrophobicContact CG-CB 3.75Å; F368-P676 HydrophobicContact CG-CG 4.05Å; F368-P676 HydrophobicContact CZ-CB 4.42Å; F368-I679 HydrophobicContact CE1-CB 4.06Å; F368-I679 HydrophobicContact CE1-CD1 3.89Å; F368-I679 HydrophobicContact CE1-CG2 4.01Å; F368-I679 HydrophobicContact CZ-CB 4.08Å; F368-I679 HydrophobicContact CZ-CG2 3.85Å; F368-M680 HydrophobicContact CE2-CG 3.95Å; F368-M680 HydrophobicContact CE2-SD 4Å; F368-M680 HydrophobicContact CZ-CG 4.28Å; F368-I684 HydrophobicContact CZ-CD1 4.36Å
369H88.3Confident86.7Confident112 Ų11261.9 Ų61.952%0.51929%0.292SS..Iπ-helixtrans-97.7-30.2-166.7-65.6-62.7000115.2N365 R373N365-H369 PolarHBondContact O-CD2 3.04Å; N365-H369 PolarHBondContact O-N 3.33Å; N365-H369 PolarHBondContact OD1-CD2 2.93Å; H369-R373 VanDerWaalsContact O-CB 3.29Å; H369-R373 WeakPolarHBondContact O-CB 3.33Å
370E88.8Confident86Confident114 Ų11467 Ų6753%0.53331%0.31SS..Iπ-helixtrans-96.3-61.3173.6-66.6177.9-157.100110.8R366 Y374R366-E370 HydrophobicContact CG-CB 4.18Å; R366-E370 HydrophobicContact CG-CG 4.16Å; R366-E370 WeakPolarHBondContact CG-OE2 3.32Å; R366-E370 IonicContact CZ-OE2 3.59Å; R366-E370 IonicContact NE-OE1 3.91Å; R366-E370 IonicContact NE-OE2 2.72Å; R366-E370 PolarHBondContact NE-OE2 2.93Å; R366-E370 IonicContact NH2-OE2 3.51Å; R366-E370 PolarHBondContact NH2-OE2 3.21Å; R366-E370 WeakPolarHBondContact O-CB 3.47Å; R366-E370 PolarHBondContact O-N 3.1Å; E370-Y374 WeakPolarHBondContact O-CB 3.48Å; E370-Y374 PolarHBondContact O-N 2.99Å
371R87.9Confident85.2Confident102 Ų10270.1 Ų70.139%0.38532%0.324SS..Iπ-helixtrans-71.3-50.7-165.3-176.870.1-152.8-15812.5112.8R366 R373 Y374 D375 M432R366-R371 PolarHBondContact O-N 2.82Å; R366-R371 VanDerWaalsContact O-N 3.1Å; R371-R373 VanDerWaalsContact C-N 3.32Å; R371-R373 PolarHBondContact O-N 3.31Å; R371-Y374 PolarHBondContact O-N 3.11Å; R371-D375 IonicContact CZ-OD1 3.62Å; R371-D375 IonicContact CZ-OD2 2.69Å; R371-D375 IonicContact NE-OD1 2.64Å; R371-D375 PolarHBondContact NE-OD1 3.28Å; R371-D375 IonicContact NE-OD2 2.67Å; R371-D375 PolarHBondContact NE-OD2 2.94Å; R371-D375 IonicContact NH2-OD1 3.73Å; R371-D375 PolarHBondContact NH2-OD1 2.78Å; R371-D375 IonicContact NH2-OD2 2.67Å; R371-D375 PolarHBondContact NH2-OD2 3.45Å; R371-D375 PolarHBondContact O-N 3.26Å; R371-M432 HydrophobicContact CG-CE 3.81Å; R371-M432 HydrophobicContact CG-SD 3.8Å
372F92.5Very high84.5Confident4 Ų473.5 Ų73.52%0.01834%0.337CS..Hα-helixtrans-64.7-39.4179.2177.5-127.7000111V367 Y374 D375 L376 P425 C429 Q671 V675 P676V367-F372 VanDerWaalsContact O-CB 3.3Å; V367-F372 WeakPolarHBondContact O-CB 3.37Å; V367-F372 PolarHBondContact O-N 2.89Å; F372-Y374 VanDerWaalsContact C-N 3.34Å; F372-Y374 PolarHBondContact O-N 2.69Å; F372-D375 PolarHBondContact O-N 2.98Å; F372-L376 HydrophobicContact CD1-CD1 4.17Å; F372-L376 HydrophobicContact CD2-CD1 4.38Å; F372-L376 HydrophobicContact CD2-CG 4.16Å; F372-L376 HydrophobicContact CE1-CD1 3.77Å; F372-L376 HydrophobicContact CE1-CG 4.5Å; F372-L376 HydrophobicContact CE2-CD1 3.98Å; F372-L376 HydrophobicContact CE2-CD2 3.95Å; F372-L376 HydrophobicContact CE2-CG 3.81Å; F372-L376 HydrophobicContact CG-CD1 4.47Å; F372-L376 HydrophobicContact CZ-CD1 3.67Å; F372-L376 HydrophobicContact CZ-CD2 4.11Å; F372-L376 HydrophobicContact CZ-CG 4.01Å; F372-L376 WeakPolarHBondContact O-CB 3.38Å; F372-L376 VanDerWaalsContact O-CG 3.3Å; F372-L376 WeakPolarHBondContact O-CG 3.29Å; F372-L376 PolarHBondContact O-N 2.55Å; F372-P425 HydrophobicContact CE2-CB 4.4Å; F372-C429 HydrophobicContact CB-CB 4.45Å; F372-C429 HydrophobicContact CD2-CB 3.79Å; F372-C429 HydrophobicContact CE2-CB 4.24Å; F372-C429 HydrophobicContact CG-CB 4.14Å; F372-Q671 HydrophobicContact CZ-CG 4.31Å; F372-V675 HydrophobicContact CE1-CB 3.74Å; F372-V675 HydrophobicContact CE1-CG1 3.92Å; F372-V675 HydrophobicContact CE1-CG2 4.36Å; F372-V675 HydrophobicContact CE2-CG1 4.45Å; F372-V675 HydrophobicContact CZ-CB 3.79Å; F372-V675 HydrophobicContact CZ-CG1 3.82Å; F372-V675 HydrophobicContact CZ-CG2 3.96Å; F372-P676 HydrophobicContact CD1-CG 4.5Å
373R88.6Confident84.1Confident127 Ų12775.2 Ų75.248%0.47934%0.338SS..Hα-helixtrans-58-43.7171.7-179.3177.5175.8172.5-1.7112.2H369 R371 L377H369-R373 VanDerWaalsContact O-CB 3.29Å; H369-R373 WeakPolarHBondContact O-CB 3.33Å; R371-R373 VanDerWaalsContact C-N 3.32Å; R371-R373 PolarHBondContact O-N 3.31Å; R373-L377 HydrophobicContact CG-CD1 4.24Å; R373-L377 WeakPolarHBondContact O-CG 3.46Å; R373-L377 PolarHBondContact O-N 2.92Å
374Y86.5Confident83.7Confident135 Ų13580.8 Ų80.853%0.52936%0.361SS..Hα-helixtrans-67.2-45.7176.6177.1-94.6000112.4E370 R371 F372 L376 L377 K378E370-Y374 WeakPolarHBondContact O-CB 3.48Å; E370-Y374 PolarHBondContact O-N 2.99Å; R371-Y374 PolarHBondContact O-N 3.11Å; F372-Y374 VanDerWaalsContact C-N 3.34Å; F372-Y374 PolarHBondContact O-N 2.69Å; Y374-L376 PolarHBondContact O-N 2.76Å; Y374-L377 PolarHBondContact O-N 3.15Å; Y374-L377 VanDerWaalsContact O-N 3.1Å; Y374-K378 HydrophobicContact CE1-CD 4.38Å; Y374-K378 WeakPolarHBondContact O-CB 3.32Å; Y374-K378 PolarHBondContact O-N 3.45Å
375D87.2Confident83.3Confident19 Ų1983.6 Ų83.610%0.10238%0.379CS..Hα-helixtrans-66.2-26.5179-75.1-22000112.1R371 F372 P425 K428R371-D375 IonicContact CZ-OD1 3.62Å; R371-D375 IonicContact CZ-OD2 2.69Å; R371-D375 IonicContact NE-OD1 2.64Å; R371-D375 PolarHBondContact NE-OD1 3.28Å; R371-D375 IonicContact NE-OD2 2.67Å; R371-D375 PolarHBondContact NE-OD2 2.94Å; R371-D375 IonicContact NH2-OD1 3.73Å; R371-D375 PolarHBondContact NH2-OD1 2.78Å; R371-D375 IonicContact NH2-OD2 2.67Å; R371-D375 PolarHBondContact NH2-OD2 3.45Å; R371-D375 PolarHBondContact O-N 3.26Å; F372-D375 PolarHBondContact O-N 2.98Å; D375-P425 HydrophobicContact CB-CB 4.2Å; D375-K428 IonicContact OD1-NZ 2.7Å; D375-K428 IonicContact OD2-NZ 3.6Å; D375-K428 PolarHBondContact OD2-NZ 3.45Å
376L86.8Confident83.1Confident8 Ų879.6 Ų79.64%0.04236%0.358CS..Hα-helixtrans-72.6-41.9167.3-72.4174.4000113F372 Y374 K378 I379 L422 P425 T668 R672F372-L376 HydrophobicContact CD1-CD1 4.17Å; F372-L376 HydrophobicContact CD2-CD1 4.38Å; F372-L376 HydrophobicContact CD2-CG 4.16Å; F372-L376 HydrophobicContact CE1-CD1 3.77Å; F372-L376 HydrophobicContact CE1-CG 4.5Å; F372-L376 HydrophobicContact CE2-CD1 3.98Å; F372-L376 HydrophobicContact CE2-CD2 3.95Å; F372-L376 HydrophobicContact CE2-CG 3.81Å; F372-L376 HydrophobicContact CG-CD1 4.47Å; F372-L376 HydrophobicContact CZ-CD1 3.67Å; F372-L376 HydrophobicContact CZ-CD2 4.11Å; F372-L376 HydrophobicContact CZ-CG 4.01Å; F372-L376 WeakPolarHBondContact O-CB 3.38Å; F372-L376 VanDerWaalsContact O-CG 3.3Å; F372-L376 WeakPolarHBondContact O-CG 3.29Å; F372-L376 PolarHBondContact O-N 2.55Å; Y374-L376 PolarHBondContact O-N 2.76Å; L376-K378 VanDerWaalsContact C-N 3.34Å; L376-I379 WeakPolarHBondContact O-CB 3.17Å; L376-I379 PolarHBondContact O-N 2.91Å; L376-L422 HydrophobicContact CD2-CD2 3.99Å; L376-P425 HydrophobicContact CD2-CB 4.47Å; L376-P425 HydrophobicContact CD2-CG 3.99Å; L376-T668 HydrophobicContact CB-CG2 4.47Å; L376-T668 HydrophobicContact CD1-CG2 4.46Å; L376-R672 HydrophobicContact CD1-CB 4.21Å
377L79.5Confident83.1Confident76 Ų7677.1 Ų77.140%0.39835%0.348SS..Hα-helixtrans-67.5-34.5178.2-74.1169.3000112.1R373 Y374 I379 E380R373-L377 HydrophobicContact CG-CD1 4.24Å; R373-L377 WeakPolarHBondContact O-CG 3.46Å; R373-L377 PolarHBondContact O-N 2.92Å; Y374-L377 PolarHBondContact O-N 3.15Å; Y374-L377 VanDerWaalsContact O-N 3.1Å; L377-I379 PolarHBondContact O-N 3.48Å; L377-E380 WeakPolarHBondContact O-CB 3.32Å; L377-E380 VanDerWaalsContact O-CG 3.32Å; L377-E380 WeakPolarHBondContact O-CG 3.41Å; L377-E380 PolarHBondContact O-N 3.37Å
378K75.5Confident82.9Confident150 Ų15082.6 Ų82.665%0.65237%0.371SS*.THydrogen-bonded Turntrans-62.2-9.8176.7-172.1172.9177-172.20113.9Y374 L376 E380Y374-K378 HydrophobicContact CE1-CD 4.38Å; Y374-K378 WeakPolarHBondContact O-CB 3.32Å; Y374-K378 PolarHBondContact O-N 3.45Å; L376-K378 VanDerWaalsContact C-N 3.34Å; K378-E380 PolarHBondContact O-N 2.92Å
379I74.8Confident82.7Confident38 Ų3884.6 Ų84.620%0.19538%0.381CS..THydrogen-bonded Turntrans-77.91.3172.3-64.3174.3000111.8L376 L377 F381 K421 L422 P425L376-I379 WeakPolarHBondContact O-CB 3.17Å; L376-I379 PolarHBondContact O-N 2.91Å; L377-I379 PolarHBondContact O-N 3.48Å; I379-F381 HydrophobicContact CG2-CE1 4.18Å; I379-F381 WeakPolarHBondContact O-CD1 3.37Å; I379-F381 PolarHBondContact O-N 3.39Å; I379-K421 HydrophobicContact CG2-CB 4.15Å; I379-K421 HydrophobicContact CG2-CD 4.4Å; I379-L422 HydrophobicContact CD1-CD2 4.14Å; I379-P425 HydrophobicContact CD1-CG 3.65Å
380E61.8Low82.8Confident156 Ų15679.3 Ų79.373%0.72936%0.356SS*.  trans-39.3126.7171.1-95.3171.4-155.800113L377 K378L377-E380 WeakPolarHBondContact O-CB 3.32Å; L377-E380 VanDerWaalsContact O-CG 3.32Å; L377-E380 WeakPolarHBondContact O-CG 3.41Å; L377-E380 PolarHBondContact O-N 3.37Å; K378-E380 PolarHBondContact O-N 2.92Å
381F65.1Low82.9Confident68 Ų6874 Ų7430%0.29833%0.331SS..  trans-82.4142.2-165.3-44.9-65000110.9I379 E383 L386 Q418 M664I379-F381 HydrophobicContact CG2-CE1 4.18Å; I379-F381 WeakPolarHBondContact O-CD1 3.37Å; I379-F381 PolarHBondContact O-N 3.39Å; F381-E383 PolarHBondContact O-N 2.87Å; F381-L386 HydrophobicContact CB-CD2 4.39Å; F381-L386 HydrophobicContact CD2-CD2 4.4Å; F381-L386 HydrophobicContact CG-CD2 4.48Å; F381-Q418 HydrophobicContact CE1-CB 4.17Å; F381-Q418 HydrophobicContact CE1-CG 4.01Å; F381-Q418 VanDerWaalsContact CE1-NE2 3.35Å; F381-Q418 HydrophobicContact CZ-CB 4.35Å; F381-Q418 HydrophobicContact CZ-CG 4.33Å; F381-M664 HydrophobicContact CZ-CE 4.47Å; F381-M664 HydrophobicContact CZ-CG 4.36Å
382D71.5Confident83Confident87 Ų8771.8 Ų71.847%0.46533%0.329SS..  trans-64.8104.5156.2171.225.1000108.5K384 T385 L386D382-K384 PolarHBondContact O-N 2.92Å; D382-K384 VanDerWaalsContact O-N 3.15Å; D382-K384 WeakPolarHBondContact OD1-CB 3.45Å; D382-K384 PolarHBondContact OD1-N 3.47Å; D382-T385 PolarHBondContact O-N 3.38Å; D382-T385 VanDerWaalsContact O-N 3.17Å; D382-T385 WeakPolarHBondContact OD2-CB 3.47Å; D382-T385 PolarHBondContact OD2-N 2.9Å; D382-T385 PolarHBondContact OD2-OG1 3.4Å; D382-L386 PolarHBondContact O-N 3.3Å
383E80Confident83Confident81 Ų8172.4 Ų72.438%0.37934%0.335SS..Hα-helixtrans-52.4-27.5175.9-90.1-106.1127.100113.3F381 R387 R657F381-E383 PolarHBondContact O-N 2.87Å; E383-R387 VanDerWaalsContact CD-NH1 3.31Å; E383-R387 WeakPolarHBondContact O-CG 3.19Å; E383-R387 PolarHBondContact O-N 3.35Å; E383-R387 PolarHBondContact O-NH1 3.19Å; E383-R387 VanDerWaalsContact O-NH1 3.07Å; E383-R387 IonicContact OE1-NH1 3.1Å; E383-R387 IonicContact OE1-NH2 2.86Å; E383-R387 IonicContact OE2-CZ 2.82Å; E383-R387 VanDerWaalsContact OE2-CZ 3.25Å; E383-R387 IonicContact OE2-NH1 3.61Å; E383-R387 PolarHBondContact OE2-NH1 3.36Å; E383-R387 IonicContact OE2-NH2 3.12Å; E383-R387 PolarHBondContact OE2-NH2 3.44Å; E383-R657 IonicContact OE1-CZ 3.66Å; E383-R657 IonicContact OE1-NE 2.82Å; E383-R657 IonicContact OE1-NH1 3.46Å; E383-R657 PolarHBondContact OE1-NH1 2.83Å
384K80.5Confident83Confident170 Ų17066.4 Ų66.474%0.73931%0.313SS*.Hα-helixtrans-77.2-51.9175.4-64179.9178.7178.20110.9D382 L386 R387 K388D382-K384 PolarHBondContact O-N 2.92Å; D382-K384 VanDerWaalsContact O-N 3.15Å; D382-K384 WeakPolarHBondContact OD1-CB 3.45Å; D382-K384 PolarHBondContact OD1-N 3.47Å; K384-L386 VanDerWaalsContact C-N 3.3Å; K384-L386 PolarHBondContact O-N 2.99Å; K384-R387 PolarHBondContact O-N 2.95Å; K384-K388 PolarHBondContact O-N 2.89Å
385T84.6Confident83.1Confident65 Ų6564.1 Ų64.140%0.39931%0.307SS..Hα-helixtrans-57.5-42.7175.4-67.20000111.3D382 R387 K388 E389D382-T385 PolarHBondContact O-N 3.38Å; D382-T385 VanDerWaalsContact O-N 3.17Å; D382-T385 WeakPolarHBondContact OD2-CB 3.47Å; D382-T385 PolarHBondContact OD2-N 2.9Å; D382-T385 PolarHBondContact OD2-OG1 3.4Å; T385-R387 PolarHBondContact O-N 3.21Å; T385-K388 PolarHBondContact O-N 3.19Å; T385-E389 HydrophobicContact CG2-CG 4.21Å; T385-E389 WeakPolarHBondContact O-CB 3.49Å; T385-E389 WeakPolarHBondContact O-CG 3.39Å; T385-E389 PolarHBondContact O-N 3.13Å
386L87.3Confident83.2Confident9 Ų969 Ų695%0.04733%0.333CS..Hα-helixtrans-60.2-45.8177.3-178.456.4000112.3F381 D382 K384 K388 E389 I390 T414 R657F381-L386 HydrophobicContact CB-CD2 4.39Å; F381-L386 HydrophobicContact CD2-CD2 4.4Å; F381-L386 HydrophobicContact CG-CD2 4.48Å; D382-L386 PolarHBondContact O-N 3.3Å; K384-L386 VanDerWaalsContact C-N 3.3Å; K384-L386 PolarHBondContact O-N 2.99Å; L386-K388 PolarHBondContact O-N 3.37Å; L386-E389 PolarHBondContact O-N 3.35Å; L386-I390 HydrophobicContact CD1-CD1 3.97Å; L386-I390 HydrophobicContact CD1-CG1 4.27Å; L386-I390 HydrophobicContact CG-CD1 3.92Å; L386-I390 WeakPolarHBondContact O-CD1 3.34Å; L386-I390 VanDerWaalsContact O-CG1 3.25Å; L386-I390 WeakPolarHBondContact O-CG1 3.42Å; L386-I390 PolarHBondContact O-N 3.46Å; L386-T414 HydrophobicContact CD1-CG2 3.48Å; L386-T414 VanDerWaalsContact CD1-CG2 3.48Å; L386-R657 HydrophobicContact CD2-CG 4.36Å
387R89.9Confident83.3Confident78 Ų7871.4 Ų71.429%0.29435%0.345SS..Hα-helixtrans-64.6-38.5175.9-74.2-171.9-17482.9-5.3112.3E383 K384 T385 I390 A391 V653 E654 R657E383-R387 VanDerWaalsContact CD-NH1 3.31Å; E383-R387 WeakPolarHBondContact O-CG 3.19Å; E383-R387 PolarHBondContact O-N 3.35Å; E383-R387 PolarHBondContact O-NH1 3.19Å; E383-R387 VanDerWaalsContact O-NH1 3.07Å; E383-R387 IonicContact OE1-NH1 3.1Å; E383-R387 IonicContact OE1-NH2 2.86Å; E383-R387 IonicContact OE2-CZ 2.82Å; E383-R387 VanDerWaalsContact OE2-CZ 3.25Å; E383-R387 IonicContact OE2-NH1 3.61Å; E383-R387 PolarHBondContact OE2-NH1 3.36Å; E383-R387 IonicContact OE2-NH2 3.12Å; E383-R387 PolarHBondContact OE2-NH2 3.44Å; K384-R387 PolarHBondContact O-N 2.95Å; T385-R387 PolarHBondContact O-N 3.21Å; R387-I390 PolarHBondContact O-N 3.19Å; R387-A391 WeakPolarHBondContact O-CB 3.12Å; R387-A391 PolarHBondContact O-N 2.99Å; R387-V653 HydrophobicContact CB-CG1 3.81Å; R387-V653 HydrophobicContact CG-CG1 3.8Å; R387-E654 IonicContact CZ-OE2 2.67Å; R387-E654 IonicContact NE-OE2 2.76Å; R387-E654 PolarHBondContact NE-OE2 2.64Å; R387-E654 IonicContact NH2-OE2 3.15Å; R387-E654 PolarHBondContact NH2-OE2 2.96Å; R387-E654 VanDerWaalsContact NH2-OE2 3.11Å; R387-R657 VanDerWaalsContact CZ-CD 3.47Å
388K89.6Confident83.6Confident125 Ų12570 Ų7054%0.54334%0.337SS..Hα-helixtrans-62.8-44.7174.4-172.4176.3-177.8174.60111.7K384 T385 L386 A391 V392 I643K384-K388 PolarHBondContact O-N 2.89Å; T385-K388 PolarHBondContact O-N 3.19Å; L386-K388 PolarHBondContact O-N 3.37Å; K388-A391 PolarHBondContact O-N 2.9Å; K388-V392 WeakPolarHBondContact O-CB 3.38Å; K388-V392 WeakPolarHBondContact O-CG2 3.41Å; K388-V392 PolarHBondContact O-N 3.43Å; K388-I643 HydrophobicContact CG-CD1 4.41Å
389E89.5Confident84Confident53 Ų5365.4 Ų65.425%0.24833%0.332CS..Hα-helixtrans-62.8-43.7176.6-72.9-175.6-175.200112.1T385 L386 V392 A393 K417T385-E389 HydrophobicContact CG2-CG 4.21Å; T385-E389 WeakPolarHBondContact O-CB 3.49Å; T385-E389 WeakPolarHBondContact O-CG 3.39Å; T385-E389 PolarHBondContact O-N 3.13Å; L386-E389 PolarHBondContact O-N 3.35Å; E389-V392 PolarHBondContact O-N 2.85Å; E389-A393 VanDerWaalsContact O-CB 3.31Å; E389-A393 WeakPolarHBondContact O-CB 3.49Å; E389-A393 PolarHBondContact O-N 3.4Å; E389-K417 IonicContact OE1-NZ 3.9Å; E389-K417 PolarHBondContact OE1-NZ 3Å; E389-K417 WeakPolarHBondContact OE2-CD 3.34Å; E389-K417 IonicContact OE2-NZ 2.7Å; E389-K417 PolarHBondContact OE2-NZ 3.3Å
390I91.8Very high84.5Confident0 Ų071 Ų710%037%0.367CS..Hα-helixtrans-63.4-45.1175.6-67.7164.5000110.8L386 R387 V392 A393 I394 T414 V653 I656 R657L386-I390 HydrophobicContact CD1-CD1 3.97Å; L386-I390 HydrophobicContact CD1-CG1 4.27Å; L386-I390 HydrophobicContact CG-CD1 3.92Å; L386-I390 WeakPolarHBondContact O-CD1 3.34Å; L386-I390 VanDerWaalsContact O-CG1 3.25Å; L386-I390 WeakPolarHBondContact O-CG1 3.42Å; L386-I390 PolarHBondContact O-N 3.46Å; R387-I390 PolarHBondContact O-N 3.19Å; I390-V392 PolarHBondContact O-N 3.4Å; I390-A393 PolarHBondContact O-N 3.25Å; I390-I394 HydrophobicContact CG2-CD1 3.78Å; I390-I394 HydrophobicContact CG2-CG1 4.36Å; I390-I394 VanDerWaalsContact O-CG1 3.26Å; I390-I394 WeakPolarHBondContact O-CG1 3.29Å; I390-I394 PolarHBondContact O-N 3.12Å; I390-T414 HydrophobicContact CD1-CG2 4.36Å; I390-T414 HydrophobicContact CG1-CG2 3.94Å; I390-V653 HydrophobicContact CB-CG1 4.29Å; I390-V653 HydrophobicContact CG2-CB 4.18Å; I390-V653 HydrophobicContact CG2-CG1 4.09Å; I390-V653 HydrophobicContact CG2-CG2 4.07Å; I390-I656 HydrophobicContact CD1-CG2 4.04Å; I390-I656 HydrophobicContact CG1-CG2 4.05Å; I390-I656 HydrophobicContact CG2-CB 3.77Å; I390-I656 HydrophobicContact CG2-CD1 4.21Å; I390-I656 HydrophobicContact CG2-CG2 3.75Å; I390-R657 HydrophobicContact CD1-CB 4.08Å
391A90.6Very high85.4Confident2 Ų273 Ų732%0.01737%0.368CS..Hα-helixtrans-60-46.3178.600000111.9R387 K388 I394 Q395 I643 V653R387-A391 WeakPolarHBondContact O-CB 3.12Å; R387-A391 PolarHBondContact O-N 2.99Å; K388-A391 PolarHBondContact O-N 2.9Å; A391-I394 PolarHBondContact O-N 3.29Å; A391-Q395 WeakPolarHBondContact O-CG 3.41Å; A391-Q395 PolarHBondContact O-N 2.75Å; A391-I643 HydrophobicContact CB-CG2 3.89Å; A391-V653 HydrophobicContact CB-CG2 3.78Å
392V90.3Very high85.9Confident57 Ų5775.8 Ų75.835%0.34539%0.393SS..Hα-helixtrans-64.4-39.9175.7170.90000111.3K388 E389 I390 Q395 N396K388-V392 WeakPolarHBondContact O-CB 3.38Å; K388-V392 WeakPolarHBondContact O-CG2 3.41Å; K388-V392 PolarHBondContact O-N 3.43Å; E389-V392 PolarHBondContact O-N 2.85Å; I390-V392 PolarHBondContact O-N 3.4Å; V392-Q395 PolarHBondContact O-N 2.99Å; V392-N396 WeakPolarHBondContact CG1-ND2 3.39Å; V392-N396 VanDerWaalsContact O-CB 3.29Å; V392-N396 WeakPolarHBondContact O-CB 3.3Å; V392-N396 PolarHBondContact O-N 2.88Å; V392-N396 PolarHBondContact O-ND2 3Å
393A91.5Very high85.9Confident17 Ų1772.6 Ų72.614%0.1438%0.38CS..Hα-helixtrans-62.4-46.9175.900000111.9E389 I390 Q395 N396 I397 A410E389-A393 VanDerWaalsContact O-CB 3.31Å; E389-A393 WeakPolarHBondContact O-CB 3.49Å; E389-A393 PolarHBondContact O-N 3.4Å; I390-A393 PolarHBondContact O-N 3.25Å; A393-Q395 PolarHBondContact O-N 2.87Å; A393-N396 PolarHBondContact O-N 3.38Å; A393-I397 WeakPolarHBondContact O-CB 3.18Å; A393-I397 WeakPolarHBondContact O-CD1 3.48Å; A393-I397 VanDerWaalsContact O-CG1 3.32Å; A393-I397 WeakPolarHBondContact O-CG1 3.48Å; A393-I397 PolarHBondContact O-N 3.33Å; A393-A410 HydrophobicContact CB-CB 4.04Å
394I89.6Confident85.9Confident1 Ų175.6 Ų75.61%0.00540%0.398CS..Hα-helixtrans-56.6-52175.6-67.2163.2000110.2I390 A391 N396 I397 H398 P407 A410 L649 Q652 V653 I656I390-I394 HydrophobicContact CG2-CD1 3.78Å; I390-I394 HydrophobicContact CG2-CG1 4.36Å; I390-I394 VanDerWaalsContact O-CG1 3.26Å; I390-I394 WeakPolarHBondContact O-CG1 3.29Å; I390-I394 PolarHBondContact O-N 3.12Å; A391-I394 PolarHBondContact O-N 3.29Å; I394-N396 PolarHBondContact O-N 3.38Å; I394-I397 PolarHBondContact O-N 3.03Å; I394-H398 WeakPolarHBondContact CG2-CE1 3.29Å; I394-H398 PolarHBondContact O-N 3.41Å; I394-H398 PolarHBondContact O-ND1 3.29Å; I394-P407 HydrophobicContact CB-CG 4.34Å; I394-P407 HydrophobicContact CG1-CG 4.14Å; I394-P407 HydrophobicContact CG2-CG 4.13Å; I394-A410 HydrophobicContact CG1-CB 3.84Å; I394-L649 HydrophobicContact CB-CD1 3.94Å; I394-L649 HydrophobicContact CD1-CD1 3.95Å; I394-L649 HydrophobicContact CG2-CD1 3.62Å; I394-Q652 HydrophobicContact CD1-CB 3.91Å; I394-V653 HydrophobicContact CD1-CG2 3.78Å; I394-I656 HydrophobicContact CD1-CD1 4Å; I394-I656 HydrophobicContact CG1-CD1 3.92Å
395Q88.2Confident85.9Confident87 Ų8775.7 Ų75.741%0.40740%0.399SS..Hα-helixtrans-59.7-44.8179.8-72.7175.3-14.800112.2A391 V392 A393 I397 H398 G399 L649A391-Q395 WeakPolarHBondContact O-CG 3.41Å; A391-Q395 PolarHBondContact O-N 2.75Å; V392-Q395 PolarHBondContact O-N 2.99Å; A393-Q395 PolarHBondContact O-N 2.87Å; Q395-I397 PolarHBondContact O-N 3.25Å; Q395-H398 PolarHBondContact O-N 2.68Å; Q395-G399 PolarHBondContact O-N 3.06Å; Q395-L649 HydrophobicContact CG-CD2 4.25Å; Q395-L649 VanDerWaalsContact NE2-CD2 3.35Å
396N89Confident85.7Confident120 Ų12074 Ų7464%0.64239%0.389SS*.Hα-helixtrans-65.1-37179-74-16.8000112.9V392 A393 I394 G399V392-N396 WeakPolarHBondContact CG1-ND2 3.39Å; V392-N396 VanDerWaalsContact O-CB 3.29Å; V392-N396 WeakPolarHBondContact O-CB 3.3Å; V392-N396 PolarHBondContact O-N 2.88Å; V392-N396 PolarHBondContact O-ND2 3Å; A393-N396 PolarHBondContact O-N 3.38Å; I394-N396 PolarHBondContact O-N 3.38Å; N396-G399 PolarHBondContact O-N 3.24Å
397I89.3Confident85.4Confident59 Ų5974.1 Ų74.130%0.30339%0.39SS..Hα-helixtrans-72.2-37.3179.1-74.1158.5000111.7A393 I394 Q395 G399 P407 M409 A410A393-I397 WeakPolarHBondContact O-CB 3.18Å; A393-I397 WeakPolarHBondContact O-CD1 3.48Å; A393-I397 VanDerWaalsContact O-CG1 3.32Å; A393-I397 WeakPolarHBondContact O-CG1 3.48Å; A393-I397 PolarHBondContact O-N 3.33Å; I394-I397 PolarHBondContact O-N 3.03Å; Q395-I397 PolarHBondContact O-N 3.25Å; I397-G399 VanDerWaalsContact C-N 3.34Å; I397-P407 HydrophobicContact CB-CB 4.34Å; I397-P407 HydrophobicContact CB-CG 4.48Å; I397-P407 HydrophobicContact CG2-CB 3.57Å; I397-P407 HydrophobicContact CG2-CG 4.17Å; I397-M409 VanDerWaalsContact CD1-C 3.42Å; I397-M409 HydrophobicContact CD1-CB 3.54Å; I397-M409 HydrophobicContact CG1-CB 4.18Å; I397-M409 HydrophobicContact CG2-CB 4.43Å; I397-M409 HydrophobicContact CG2-CE 3.72Å; I397-A410 HydrophobicContact CD1-CB 3.73Å; I397-A410 VanDerWaalsContact CD1-N 3.26Å
398H85.9Confident85.2Confident48 Ų4876.2 Ų76.222%0.22241%0.407CS..Hα-helixtrans-68.7-35.7171-68.7145.6000111.8I394 Q395 V400 R401 G403 F405 P407 Q652I394-H398 WeakPolarHBondContact CG2-CE1 3.29Å; I394-H398 PolarHBondContact O-N 3.41Å; I394-H398 PolarHBondContact O-ND1 3.29Å; Q395-H398 PolarHBondContact O-N 2.68Å; H398-V400 PolarHBondContact O-N 3.49Å; H398-R401 WeakPolarHBondContact CB-O 3.39Å; H398-R401 PolarHBondContact O-N 3.13Å; H398-G403 VanDerWaalsContact CD2-CA 3.43Å; H398-G403 WeakPolarHBondContact CD2-CA 3.47Å; H398-F405 PolarHBondContact NE2-O 3.4Å; H398-P407 VanDerWaalsContact CE1-CD 3.49Å; H398-P407 WeakPolarHBondContact CE1-CD 3.39Å; H398-P407 WeakPolarHBondContact NE2-CD 3.45Å; H398-Q652 PolarHBondContact CE1-OE1 2.93Å
399G83.9Confident85.3Confident53 Ų5375.4 Ų75.455%0.54641%0.406SS..THydrogen-bonded Turntrans58.4-121.7177.300000111.2Q395 N396 I397 R401Q395-G399 PolarHBondContact O-N 3.06Å; N396-G399 PolarHBondContact O-N 3.24Å; I397-G399 VanDerWaalsContact C-N 3.34Å; G399-R401 VanDerWaalsContact C-N 3.32Å
400V85.1Confident85.4Confident154 Ų15472.9 Ų72.993%0.93339%0.394SS*.THydrogen-bonded Turntrans-84.20.9178.4-59.30000114.3H398H398-V400 PolarHBondContact O-N 3.49Å
401R81.2Confident85.4Confident198 Ų19873.5 Ų73.575%0.74740%0.397SS*.SBendtrans-111.3139.2-174.8-62.9179.6-178.7162.11.1111.2H398 G399 G403H398-R401 WeakPolarHBondContact CB-O 3.39Å; H398-R401 PolarHBondContact O-N 3.13Å; G399-R401 VanDerWaalsContact C-N 3.32Å; R401-G403 PolarHBondContact O-N 3.4Å
402P75.5Confident85.5Confident128 Ų12875.3 Ų75.383%0.83141%0.407SS*.  trans-67.3129.3172.727.8-33.6000111.1
403G71.6Confident85.5Confident19 Ų1974.9 Ų74.920%0.19641%0.409CS..  trans-76.2122.1179.500000113.6H398 R401 K648H398-G403 VanDerWaalsContact CD2-CA 3.43Å; H398-G403 WeakPolarHBondContact CD2-CA 3.47Å; R401-G403 PolarHBondContact O-N 3.4Å; G403-K648 PolarHBondContact O-NZ 2.87Å
404L78.8Confident85.5Confident145 Ų14574.3 Ų74.376%0.75940%0.404SS*.SBendtrans-78-49170.4-79.3160.9000111.6K648L404-K648 PolarHBondContact O-NZ 2.88Å
405F80.9Confident85.7Confident171 Ų17174.2 Ų74.275%0.7540%0.403SS*.SBendtrans-106.5164.8-176.7-56.3-76.9000112.4H398 P407 Q652H398-F405 PolarHBondContact NE2-O 3.4Å; F405-P407 WeakPolarHBondContact O-CD 3.27Å; F405-Q652 VanDerWaalsContact C-NE2 3.34Å; F405-Q652 PolarHBondContact O-NE2 2.8Å
406T79.6Confident86Confident30 Ų3074.3 Ų74.318%0.18440%0.4CS..  trans-72119.3167.7-51.60000108.6D408 Q652 I656T406-D408 PolarHBondContact O-N 2.67Å; T406-Q652 HydrophobicContact CG2-CB 4.18Å; T406-Q652 HydrophobicContact CG2-CG 4.28Å; T406-Q652 WeakPolarHBondContact OG1-CG 3.32Å; T406-I656 HydrophobicContact CG2-CD1 3.77Å; T406-I656 HydrophobicContact CG2-CG1 3.71Å
407P81.1Confident86.1Confident11 Ų1173.2 Ų73.27%0.07139%0.39CS..  trans-71.3124.1-176.225.5-30000111.4I394 I397 H398 F405 M409 A410I394-P407 HydrophobicContact CB-CG 4.34Å; I394-P407 HydrophobicContact CG1-CG 4.14Å; I394-P407 HydrophobicContact CG2-CG 4.13Å; I397-P407 HydrophobicContact CB-CB 4.34Å; I397-P407 HydrophobicContact CB-CG 4.48Å; I397-P407 HydrophobicContact CG2-CB 3.57Å; I397-P407 HydrophobicContact CG2-CG 4.17Å; H398-P407 VanDerWaalsContact CE1-CD 3.49Å; H398-P407 WeakPolarHBondContact CE1-CD 3.39Å; H398-P407 WeakPolarHBondContact NE2-CD 3.45Å; F405-P407 WeakPolarHBondContact O-CD 3.27Å; P407-M409 VanDerWaalsContact C-N 3.29Å; P407-M409 PolarHBondContact O-N 3.49Å; P407-A410 HydrophobicContact CG-CB 4Å; P407-A410 WeakPolarHBondContact O-CB 3.21Å; P407-A410 PolarHBondContact O-N 3.14Å
408D86.8Confident86.2Confident122 Ų12270.6 Ų70.665%0.65238%0.376SS*.Hα-helixtrans-61-36.8172.760.8-24.6000112.3T406 A410 F411 D412T406-D408 PolarHBondContact O-N 2.67Å; D408-A410 PolarHBondContact O-N 3.18Å; D408-A410 VanDerWaalsContact O-N 3.13Å; D408-F411 WeakPolarHBondContact O-CA 3.43Å; D408-F411 WeakPolarHBondContact O-CB 3.27Å; D408-F411 PolarHBondContact O-N 3.49Å; D408-D412 PolarHBondContact O-N 3.47Å
409M90.6Very high86.6Confident108 Ų10868.4 Ų68.453%0.53237%0.366SS..Hα-helixtrans-56.4-25.9173.5-72.5-174.1-78.100113.7I397 P407 A413I397-M409 VanDerWaalsContact CD1-C 3.42Å; I397-M409 HydrophobicContact CD1-CB 3.54Å; I397-M409 HydrophobicContact CG1-CB 4.18Å; I397-M409 HydrophobicContact CG2-CB 4.43Å; I397-M409 HydrophobicContact CG2-CE 3.72Å; P407-M409 VanDerWaalsContact C-N 3.29Å; P407-M409 PolarHBondContact O-N 3.49Å; M409-A413 VanDerWaalsContact O-CB 3.27Å; M409-A413 WeakPolarHBondContact O-CB 3.28Å; M409-A413 PolarHBondContact O-N 3.31Å
410A91.7Very high87Confident0 Ų069.6 Ų69.60%036%0.357CS..Hα-helixtrans-77.3-33.2176.700000111.7A393 I394 I397 P407 D408 T414 I656A393-A410 HydrophobicContact CB-CB 4.04Å; I394-A410 HydrophobicContact CG1-CB 3.84Å; I397-A410 HydrophobicContact CD1-CB 3.73Å; I397-A410 VanDerWaalsContact CD1-N 3.26Å; P407-A410 HydrophobicContact CG-CB 4Å; P407-A410 WeakPolarHBondContact O-CB 3.21Å; P407-A410 PolarHBondContact O-N 3.14Å; D408-A410 PolarHBondContact O-N 3.18Å; D408-A410 VanDerWaalsContact O-N 3.13Å; A410-T414 VanDerWaalsContact O-CB 3.32Å; A410-T414 WeakPolarHBondContact O-CB 3.35Å; A410-T414 PolarHBondContact O-N 2.9Å; A410-T414 PolarHBondContact O-OG1 3.04Å; A410-I656 HydrophobicContact CB-CD1 3.53Å
411F92.6Very high87.3Confident13 Ų1366.3 Ų66.36%0.05733%0.33CS..Hα-helixtrans-65.8-47.8167.6164-102000110.5D408 T414 V415 M488 T490 F495 I656 L659 V660 Y663D408-F411 WeakPolarHBondContact O-CA 3.43Å; D408-F411 WeakPolarHBondContact O-CB 3.27Å; D408-F411 PolarHBondContact O-N 3.49Å; F411-T414 PolarHBondContact O-N 2.84Å; F411-V415 HydrophobicContact CD2-CG2 3.79Å; F411-V415 HydrophobicContact CE1-CG2 4.38Å; F411-V415 HydrophobicContact CE2-CG2 3.42Å; F411-V415 VanDerWaalsContact CE2-CG2 3.42Å; F411-V415 HydrophobicContact CG-CG2 4.4Å; F411-V415 HydrophobicContact CZ-CG2 3.76Å; F411-V415 WeakPolarHBondContact O-CB 3.35Å; F411-V415 WeakPolarHBondContact O-CG2 3.27Å; F411-V415 PolarHBondContact O-N 3.47Å; F411-M488 HydrophobicContact CD1-CE 3.65Å; F411-M488 HydrophobicContact CD1-SD 4.3Å; F411-M488 HydrophobicContact CE1-CE 3.49Å; F411-M488 VanDerWaalsContact CE1-CE 3.49Å; F411-M488 HydrophobicContact CE1-SD 3.83Å; F411-M488 HydrophobicContact CZ-SD 4.42Å; F411-T490 HydrophobicContact CE1-CG2 4.1Å; F411-F495 HydrophobicContact CE2-CE2 4.28Å; F411-F495 HydrophobicContact CE2-CZ 4.25Å; F411-F495 HydrophobicContact CZ-CE2 4.06Å; F411-F495 AromaticContact CZ-CZ 3.87Å; F411-F495 HydrophobicContact CZ-CZ 3.87Å; F411-I656 HydrophobicContact CB-CG2 4.12Å; F411-L659 HydrophobicContact CD2-CB 3.6Å; F411-L659 HydrophobicContact CE2-CB 3.68Å; F411-V660 HydrophobicContact CD2-CG2 3.91Å; F411-V660 HydrophobicContact CE2-CG2 4.43Å; F411-Y663 HydrophobicContact CZ-CD2 4.21Å; F411-Y663 HydrophobicContact CZ-CG 4.03Å
412D91.7Very high87.9Confident41 Ų4157 Ų5722%0.21930%0.296CS..Hα-helixtrans-57-54178.2178.883.6000112.9D408 T414 V415 R416 M488D408-D412 PolarHBondContact O-N 3.47Å; D412-T414 VanDerWaalsContact C-N 3.29Å; D412-T414 PolarHBondContact O-N 3.34Å; D412-V415 PolarHBondContact O-N 3.15Å; D412-R416 WeakPolarHBondContact O-CB 3.39Å; D412-R416 VanDerWaalsContact O-CG 3.28Å; D412-R416 WeakPolarHBondContact O-CG 3.25Å; D412-R416 PolarHBondContact O-N 2.72Å; D412-R416 IonicContact OD1-CZ 3.73Å; D412-R416 VanDerWaalsContact OD1-CZ 3.28Å; D412-R416 IonicContact OD1-NE 3.68Å; D412-R416 PolarHBondContact OD1-NE 3.04Å; D412-R416 IonicContact OD1-NH2 3.03Å; D412-R416 PolarHBondContact OD1-NH2 2.89Å; D412-R416 WeakPolarHBondContact OD2-CD 3.36Å; D412-R416 IonicContact OD2-CZ 3.15Å; D412-R416 IonicContact OD2-NE 2.73Å; D412-R416 PolarHBondContact OD2-NE 3.16Å; D412-R416 IonicContact OD2-NH2 2.88Å; D412-M488 HydrophobicContact CB-CE 3.51Å; D412-M488 HydrophobicContact CB-SD 4.34Å; D412-M488 WeakPolarHBondContact OD1-CE 2.92Å
413A91.8Very high88.8Confident47 Ų4752.8 Ų52.839%0.38826%0.263SS..Hα-helixtrans-59.2-40.5178.700000112.3M409 K417M409-A413 VanDerWaalsContact O-CB 3.27Å; M409-A413 WeakPolarHBondContact O-CB 3.28Å; M409-A413 PolarHBondContact O-N 3.31Å; A413-K417 WeakPolarHBondContact O-CB 3.33Å; A413-K417 PolarHBondContact O-N 3.45Å
414T91.7Very high89.9Confident5 Ų558.2 Ų58.23%0.03129%0.286CS..Hα-helixtrans-68.5-49178.7-54.30000111L386 I390 A410 F411 D412 R416 K417 Q418 V660L386-T414 HydrophobicContact CD1-CG2 3.48Å; L386-T414 VanDerWaalsContact CD1-CG2 3.48Å; I390-T414 HydrophobicContact CD1-CG2 4.36Å; I390-T414 HydrophobicContact CG1-CG2 3.94Å; A410-T414 VanDerWaalsContact O-CB 3.32Å; A410-T414 WeakPolarHBondContact O-CB 3.35Å; A410-T414 PolarHBondContact O-N 2.9Å; A410-T414 PolarHBondContact O-OG1 3.04Å; F411-T414 PolarHBondContact O-N 2.84Å; D412-T414 VanDerWaalsContact C-N 3.29Å; D412-T414 PolarHBondContact O-N 3.34Å; T414-R416 PolarHBondContact O-N 3.36Å; T414-K417 PolarHBondContact O-N 3.28Å; T414-Q418 WeakPolarHBondContact O-CG 3.5Å; T414-Q418 PolarHBondContact O-N 3.32Å; T414-Q418 VanDerWaalsContact O-N 3.17Å; T414-V660 HydrophobicContact CG2-CG1 4.07Å; T414-V660 HydrophobicContact CG2-CG2 3.74Å
415V92.9Very high90.6Very high0 Ų051.8 Ų51.80%025%0.253CS..Hα-helixtrans-59.4-49.3178.8166.30000111.1F411 D412 K417 Q418 I419 M488 V660 Y663F411-V415 HydrophobicContact CD2-CG2 3.79Å; F411-V415 HydrophobicContact CE1-CG2 4.38Å; F411-V415 HydrophobicContact CE2-CG2 3.42Å; F411-V415 VanDerWaalsContact CE2-CG2 3.42Å; F411-V415 HydrophobicContact CG-CG2 4.4Å; F411-V415 HydrophobicContact CZ-CG2 3.76Å; F411-V415 WeakPolarHBondContact O-CB 3.35Å; F411-V415 WeakPolarHBondContact O-CG2 3.27Å; F411-V415 PolarHBondContact O-N 3.47Å; D412-V415 PolarHBondContact O-N 3.15Å; V415-K417 VanDerWaalsContact C-N 3.28Å; V415-K417 PolarHBondContact O-N 3.37Å; V415-Q418 PolarHBondContact O-N 3.26Å; V415-I419 HydrophobicContact CG1-CD1 3.52Å; V415-I419 HydrophobicContact CG1-CG1 4.04Å; V415-I419 WeakPolarHBondContact O-CG1 3.3Å; V415-I419 PolarHBondContact O-N 3.06Å; V415-M488 HydrophobicContact CB-SD 3.77Å; V415-M488 HydrophobicContact CG1-CG 4.38Å; V415-M488 HydrophobicContact CG1-SD 3.63Å; V415-M488 HydrophobicContact CG2-SD 4.34Å; V415-V660 HydrophobicContact CG2-CB 4.47Å; V415-V660 HydrophobicContact CG2-CG1 4.46Å; V415-V660 HydrophobicContact CG2-CG2 4.06Å; V415-Y663 HydrophobicContact CG1-CD1 3.47Å; V415-Y663 VanDerWaalsContact CG1-CD1 3.47Å; V415-Y663 HydrophobicContact CG1-CE1 3.8Å; V415-Y663 HydrophobicContact CG1-CG 4.46Å; V415-Y663 HydrophobicContact CG2-CD1 4.25Å
416R94.1Very high91.3Very high88 Ų8843.6 Ų43.633%0.33222%0.217SC..Hα-helixtrans-52.4-46.8177.9-73.5174.8-171.2-67.6-24.1112D412 T414 Q418 I419 E420 L485D412-R416 WeakPolarHBondContact O-CB 3.39Å; D412-R416 VanDerWaalsContact O-CG 3.28Å; D412-R416 WeakPolarHBondContact O-CG 3.25Å; D412-R416 PolarHBondContact O-N 2.72Å; D412-R416 IonicContact OD1-CZ 3.73Å; D412-R416 VanDerWaalsContact OD1-CZ 3.28Å; D412-R416 IonicContact OD1-NE 3.68Å; D412-R416 PolarHBondContact OD1-NE 3.04Å; D412-R416 IonicContact OD1-NH2 3.03Å; D412-R416 PolarHBondContact OD1-NH2 2.89Å; D412-R416 WeakPolarHBondContact OD2-CD 3.36Å; D412-R416 IonicContact OD2-CZ 3.15Å; D412-R416 IonicContact OD2-NE 2.73Å; D412-R416 PolarHBondContact OD2-NE 3.16Å; D412-R416 IonicContact OD2-NH2 2.88Å; T414-R416 PolarHBondContact O-N 3.36Å; R416-Q418 VanDerWaalsContact C-N 3.29Å; R416-Q418 PolarHBondContact O-N 3.44Å; R416-I419 PolarHBondContact O-N 2.89Å; R416-E420 PolarHBondContact O-N 2.86Å; R416-L485 HydrophobicContact CB-CD2 4.05Å; R416-L485 HydrophobicContact CG-CD2 4.21Å; R416-L485 PolarHBondContact NH1-O 3.01Å; R416-L485 WeakPolarHBondContact O-CD2 3.45Å
417K91.5Very high92.1Very high98 Ų9844 Ų4443%0.42622%0.218SC..Hα-helixtrans-63.3-32.4179.1-170.6179.3179-168.70113.2E389 A413 T414 V415E389-K417 IonicContact OE1-NZ 3.9Å; E389-K417 PolarHBondContact OE1-NZ 3Å; E389-K417 WeakPolarHBondContact OE2-CD 3.34Å; E389-K417 IonicContact OE2-NZ 2.7Å; E389-K417 PolarHBondContact OE2-NZ 3.3Å; A413-K417 WeakPolarHBondContact O-CB 3.33Å; A413-K417 PolarHBondContact O-N 3.45Å; T414-K417 PolarHBondContact O-N 3.28Å; V415-K417 VanDerWaalsContact C-N 3.28Å; V415-K417 PolarHBondContact O-N 3.37Å
418Q90.6Very high92.8Very high4 Ų447 Ų472%0.01923%0.23CC..Hα-helixtrans-80.9-34.5176.7-56.7-6735.700112.6F381 T414 V415 R416 K421 M664F381-Q418 HydrophobicContact CE1-CB 4.17Å; F381-Q418 HydrophobicContact CE1-CG 4.01Å; F381-Q418 VanDerWaalsContact CE1-NE2 3.35Å; F381-Q418 HydrophobicContact CZ-CB 4.35Å; F381-Q418 HydrophobicContact CZ-CG 4.33Å; T414-Q418 WeakPolarHBondContact O-CG 3.5Å; T414-Q418 PolarHBondContact O-N 3.32Å; T414-Q418 VanDerWaalsContact O-N 3.17Å; V415-Q418 PolarHBondContact O-N 3.26Å; R416-Q418 VanDerWaalsContact C-N 3.29Å; R416-Q418 PolarHBondContact O-N 3.44Å; Q418-K421 PolarHBondContact O-N 3.46Å; Q418-M664 HydrophobicContact CB-CE 3.76Å; Q418-M664 HydrophobicContact CB-CG 4.09Å; Q418-M664 HydrophobicContact CB-SD 3.58Å; Q418-M664 VanDerWaalsContact CB-SD 3.58Å
419I93.9Very high93.3Very high1 Ų141.3 Ų41.31%0.00520%0.2CC..Hα-helixtrans-63.6-42.5174.4-66.4177000110.6V415 R416 K421 L422 I481 Q484 L485 Y663 M664 V667V415-I419 HydrophobicContact CG1-CD1 3.52Å; V415-I419 HydrophobicContact CG1-CG1 4.04Å; V415-I419 WeakPolarHBondContact O-CG1 3.3Å; V415-I419 PolarHBondContact O-N 3.06Å; R416-I419 PolarHBondContact O-N 2.89Å; I419-K421 PolarHBondContact O-N 3.05Å; I419-L422 WeakPolarHBondContact O-CB 3.36Å; I419-L422 WeakPolarHBondContact O-CG 3.36Å; I419-L422 PolarHBondContact O-N 3.15Å; I419-I481 HydrophobicContact CG2-CG2 4.07Å; I419-Q484 HydrophobicContact CD1-CB 4.34Å; I419-Q484 HydrophobicContact CG2-CB 3.9Å; I419-L485 HydrophobicContact CB-CD2 3.8Å; I419-L485 HydrophobicContact CB-CG 4.47Å; I419-L485 HydrophobicContact CG2-CD2 3.72Å; I419-L485 HydrophobicContact CG2-CG 3.83Å; I419-Y663 HydrophobicContact CD1-CE1 4.19Å; I419-M664 HydrophobicContact CG1-CE 4.47Å; I419-M664 HydrophobicContact CG1-SD 3.86Å; I419-V667 HydrophobicContact CD1-CG1 4.48Å; I419-V667 HydrophobicContact CD1-CG2 4.09Å; I419-V667 HydrophobicContact CG1-CG1 4.19Å; I419-V667 HydrophobicContact CG1-CG2 4.37Å
420E93.7Very high93.6Very high79 Ų7936.2 Ų36.237%0.36917%0.174SC..Hα-helixtrans-60.1-33.1-179.7-173.853.3-142.200112.7R416 L422 R423 L485R416-E420 PolarHBondContact O-N 2.86Å; E420-L422 PolarHBondContact O-N 3.42Å; E420-L422 VanDerWaalsContact O-N 3.15Å; E420-R423 VanDerWaalsContact O-CB 3.3Å; E420-R423 WeakPolarHBondContact O-CB 3.45Å; E420-R423 PolarHBondContact O-N 3.3Å; E420-R423 WeakPolarHBondContact OE1-CD 3.36Å; E420-R423 IonicContact OE1-CZ 2.78Å; E420-R423 IonicContact OE1-NE 3.47Å; E420-R423 PolarHBondContact OE1-NE 3.45Å; E420-R423 IonicContact OE1-NH2 3.2Å; E420-R423 IonicContact OE2-CZ 2.7Å; E420-R423 IonicContact OE2-NE 3.89Å; E420-R423 PolarHBondContact OE2-NE 3.42Å; E420-R423 IonicContact OE2-NH2 3.21Å; E420-R423 PolarHBondContact OE2-NH2 3.07Å; E420-L485 WeakPolarHBondContact OE2-CD1 3.43Å
421K91.9Very high93.9Very high85 Ų8539.5 Ų39.537%0.3719%0.192SC..THydrogen-bonded Turntrans-61.7-21.8174.4-66.3174.9-174.9171.90113.4I379 Q418 I419 R423 P425I379-K421 HydrophobicContact CG2-CB 4.15Å; I379-K421 HydrophobicContact CG2-CD 4.4Å; Q418-K421 PolarHBondContact O-N 3.46Å; I419-K421 PolarHBondContact O-N 3.05Å; K421-R423 PolarHBondContact O-N 3.3Å; K421-P425 VanDerWaalsContact O-CD 3.28Å; K421-P425 WeakPolarHBondContact O-CD 3.43Å
422L93Very high94Very high3 Ų341.9 Ų41.92%0.01620%0.204CC..THydrogen-bonded Turntrans-72.8-11.8176.7-52.4179.9000112.9L376 I379 I419 E420 P425 S426 M664 V667L376-L422 HydrophobicContact CD2-CD2 3.99Å; I379-L422 HydrophobicContact CD1-CD2 4.14Å; I419-L422 WeakPolarHBondContact O-CB 3.36Å; I419-L422 WeakPolarHBondContact O-CG 3.36Å; I419-L422 PolarHBondContact O-N 3.15Å; E420-L422 PolarHBondContact O-N 3.42Å; E420-L422 VanDerWaalsContact O-N 3.15Å; L422-P425 WeakPolarHBondContact O-CD 2.94Å; L422-P425 WeakPolarHBondContact O-CG 3.25Å; L422-S426 VanDerWaalsContact O-CB 3.31Å; L422-S426 WeakPolarHBondContact O-CB 3.45Å; L422-S426 PolarHBondContact O-N 3.48Å; L422-S426 PolarHBondContact O-OG 3.4Å; L422-M664 HydrophobicContact CD1-CE 4.15Å; L422-M664 HydrophobicContact CG-CE 4.47Å; L422-V667 HydrophobicContact CD1-CG1 3.77Å
423R94.7Very high94.3Very high39 Ų3939.9 Ų39.915%0.14719%0.194CC..Hα-helixtrans-64-47.6179.5-159.9178.1-60-97.8-3.9112.3E420 K421 S426 L427 Q478 I481 D482E420-R423 VanDerWaalsContact O-CB 3.3Å; E420-R423 WeakPolarHBondContact O-CB 3.45Å; E420-R423 PolarHBondContact O-N 3.3Å; E420-R423 WeakPolarHBondContact OE1-CD 3.36Å; E420-R423 IonicContact OE1-CZ 2.78Å; E420-R423 IonicContact OE1-NE 3.47Å; E420-R423 PolarHBondContact OE1-NE 3.45Å; E420-R423 IonicContact OE1-NH2 3.2Å; E420-R423 IonicContact OE2-CZ 2.7Å; E420-R423 IonicContact OE2-NE 3.89Å; E420-R423 PolarHBondContact OE2-NE 3.42Å; E420-R423 IonicContact OE2-NH2 3.21Å; E420-R423 PolarHBondContact OE2-NH2 3.07Å; K421-R423 PolarHBondContact O-N 3.3Å; R423-S426 PolarHBondContact O-N 3.24Å; R423-L427 HydrophobicContact CG-CD1 4.05Å; R423-L427 WeakPolarHBondContact O-CG 3.43Å; R423-L427 PolarHBondContact O-N 3.26Å; R423-Q478 HydrophobicContact CG-CG 4.44Å; R423-I481 VanDerWaalsContact CA-CD1 3.41Å; R423-I481 HydrophobicContact CB-CD1 3.86Å; R423-I481 HydrophobicContact CG-CD1 3.98Å; R423-D482 IonicContact CZ-OD1 3.74Å; R423-D482 VanDerWaalsContact CZ-OD1 3.3Å; R423-D482 IonicContact NH1-OD1 2.77Å; R423-D482 PolarHBondContact NH1-OD1 3.3Å; R423-D482 IonicContact NH1-OD2 2.87Å; R423-D482 IonicContact NH2-OD1 2.7Å; R423-D482 PolarHBondContact NH2-OD1 3.12Å
424I93.9Very high94.5Very high132 Ų13238.4 Ų38.468%0.67718%0.18SC*.Hα-helixtrans-59.4-55-178.2-57.7176.3000113.2S426 L427 K428I424-S426 VanDerWaalsContact C-N 3.28Å; I424-S426 PolarHBondContact O-N 2.93Å; I424-L427 PolarHBondContact O-N 3.48Å; I424-K428 WeakPolarHBondContact O-CB 3.29Å; I424-K428 PolarHBondContact O-N 3.27Å
425P93.8Very high94.7Very high10 Ų1041.2 Ų41.27%0.06520%0.2CC..Hα-helixtrans-66.4-29.4179.830.7-40.6000112.7F372 D375 L376 I379 K421 L422 C429F372-P425 HydrophobicContact CE2-CB 4.4Å; D375-P425 HydrophobicContact CB-CB 4.2Å; L376-P425 HydrophobicContact CD2-CB 4.47Å; L376-P425 HydrophobicContact CD2-CG 3.99Å; I379-P425 HydrophobicContact CD1-CG 3.65Å; K421-P425 VanDerWaalsContact O-CD 3.28Å; K421-P425 WeakPolarHBondContact O-CD 3.43Å; L422-P425 WeakPolarHBondContact O-CD 2.94Å; L422-P425 WeakPolarHBondContact O-CG 3.25Å; P425-C429 PolarHBondContact O-N 3.03Å
426S96.2Very high94.7Very high0 Ų043.6 Ų43.60%021%0.21CC..Hα-helixtrans-71.6-41.1-179.8-55.10000111.6L422 R423 I424 C429 Q671L422-S426 VanDerWaalsContact O-CB 3.31Å; L422-S426 WeakPolarHBondContact O-CB 3.45Å; L422-S426 PolarHBondContact O-N 3.48Å; L422-S426 PolarHBondContact O-OG 3.4Å; R423-S426 PolarHBondContact O-N 3.24Å; I424-S426 VanDerWaalsContact C-N 3.28Å; I424-S426 PolarHBondContact O-N 2.93Å; S426-C429 WeakPolarHBondContact O-CB 3.45Å; S426-C429 PolarHBondContact O-N 2.84Å; S426-Q671 PolarHBondContact OG-NE2 2.99Å
427L96.8Very high94.6Very high37 Ų3739.5 Ų39.519%0.19420%0.195CC..Hα-helixtrans-67.3-43.5173.1-67.4175.6000111.6R423 I424 C429 V430 D431 K474 I477 Q478R423-L427 HydrophobicContact CG-CD1 4.05Å; R423-L427 WeakPolarHBondContact O-CG 3.43Å; R423-L427 PolarHBondContact O-N 3.26Å; I424-L427 PolarHBondContact O-N 3.48Å; L427-C429 PolarHBondContact O-N 3.3Å; L427-V430 WeakPolarHBondContact O-CA 3.44Å; L427-V430 VanDerWaalsContact O-CB 3.29Å; L427-V430 WeakPolarHBondContact O-CB 3.45Å; L427-V430 PolarHBondContact O-N 3.49Å; L427-D431 PolarHBondContact O-N 3.42Å; L427-K474 HydrophobicContact CD2-CB 3.78Å; L427-K474 HydrophobicContact CD2-CG 3.83Å; L427-I477 HydrophobicContact CD2-CG2 4.45Å; L427-Q478 HydrophobicContact CD2-CG 4.17Å
428K95.7Very high94.7Very high74 Ų7436.4 Ų36.432%0.32218%0.184SC..Hα-helixtrans-57.9-33.7174.7-173.8-170.9172.3-157.90112.8D375 I424 V430 D431 M432D375-K428 IonicContact OD1-NZ 2.7Å; D375-K428 IonicContact OD2-NZ 3.6Å; D375-K428 PolarHBondContact OD2-NZ 3.45Å; I424-K428 WeakPolarHBondContact O-CB 3.29Å; I424-K428 PolarHBondContact O-N 3.27Å; K428-V430 VanDerWaalsContact C-N 3.25Å; K428-V430 PolarHBondContact O-N 3.42Å; K428-D431 WeakPolarHBondContact CA-OD2 3.36Å; K428-D431 PolarHBondContact O-N 2.97Å; K428-M432 WeakPolarHBondContact O-CG 3.44Å; K428-M432 PolarHBondContact O-N 3.28Å; K428-M432 VanDerWaalsContact O-N 3.08Å
429C96.5Very high94.7Very high4 Ų438.5 Ų38.53%0.02720%0.195CC..Hα-helixtrans-61.3-34.3173.8-169.40000112.2F372 P425 S426 L427 V433 V675 I679F372-C429 HydrophobicContact CB-CB 4.45Å; F372-C429 HydrophobicContact CD2-CB 3.79Å; F372-C429 HydrophobicContact CE2-CB 4.24Å; F372-C429 HydrophobicContact CG-CB 4.14Å; P425-C429 PolarHBondContact O-N 3.03Å; S426-C429 WeakPolarHBondContact O-CB 3.45Å; S426-C429 PolarHBondContact O-N 2.84Å; L427-C429 PolarHBondContact O-N 3.3Å; C429-V433 WeakPolarHBondContact O-CG2 3.37Å; C429-V433 PolarHBondContact O-N 2.9Å; C429-V675 HydrophobicContact CB-CG1 4.31Å; C429-I679 HydrophobicContact CB-CD1 4.31Å
430V97.6Very high94.6Very high0 Ų038.5 Ų38.50%020%0.195CC..Hα-helixtrans-67.3-49174.2-168.90000110.3L427 K428 M432 V433 V434 E470 T473 K474 I477 I679L427-V430 WeakPolarHBondContact O-CA 3.44Å; L427-V430 VanDerWaalsContact O-CB 3.29Å; L427-V430 WeakPolarHBondContact O-CB 3.45Å; L427-V430 PolarHBondContact O-N 3.49Å; K428-V430 VanDerWaalsContact C-N 3.25Å; K428-V430 PolarHBondContact O-N 3.42Å; V430-M432 VanDerWaalsContact C-N 3.26Å; V430-M432 PolarHBondContact O-N 2.77Å; V430-V433 PolarHBondContact O-N 2.8Å; V430-V434 HydrophobicContact CG1-CG2 4.18Å; V430-V434 WeakPolarHBondContact O-CG2 3.45Å; V430-V434 PolarHBondContact O-N 3.08Å; V430-E470 HydrophobicContact CG1-CG 4.28Å; V430-T473 HydrophobicContact CG1-CG2 4.13Å; V430-T473 HydrophobicContact CG2-CG2 4.19Å; V430-K474 HydrophobicContact CB-CG 4.15Å; V430-K474 HydrophobicContact CG1-CG 4.12Å; V430-K474 HydrophobicContact CG2-CG 4.14Å; V430-I477 HydrophobicContact CG2-CD1 3.35Å; V430-I679 HydrophobicContact CG2-CD1 4.02Å; V430-I679 HydrophobicContact CG2-CG1 4.18Å
431D97.1Very high94.5Very high69 Ų6934.9 Ų34.937%0.36918%0.178SC..Hα-helixtrans-54.2-44.7-179.7-59.2-41000111.7L427 K428 V434 S435 K474L427-D431 PolarHBondContact O-N 3.42Å; K428-D431 WeakPolarHBondContact CA-OD2 3.36Å; K428-D431 PolarHBondContact O-N 2.97Å; D431-V434 PolarHBondContact O-N 3.17Å; D431-S435 PolarHBondContact O-N 3.17Å; D431-K474 WeakPolarHBondContact OD1-CE 3.41Å; D431-K474 IonicContact OD1-NZ 3Å; D431-K474 PolarHBondContact OD1-NZ 3.41Å
432M95.9Very high94.5Very high63 Ų6335.3 Ų35.331%0.3118%0.182SC..Hα-helixtrans-66.1-37.1178.9-68.4-169.669.200112.8V367 R371 K428 V430 K436V367-M432 HydrophobicContact CG1-CB 3.81Å; V367-M432 HydrophobicContact CG2-CB 4.26Å; V367-M432 HydrophobicContact CG2-CE 4.33Å; R371-M432 HydrophobicContact CG-CE 3.81Å; R371-M432 HydrophobicContact CG-SD 3.8Å; K428-M432 WeakPolarHBondContact O-CG 3.44Å; K428-M432 PolarHBondContact O-N 3.28Å; K428-M432 VanDerWaalsContact O-N 3.08Å; V430-M432 VanDerWaalsContact C-N 3.26Å; V430-M432 PolarHBondContact O-N 2.77Å; M432-K436 WeakPolarHBondContact O-CG 3.32Å; M432-K436 PolarHBondContact O-N 3.37Å
433V96.7Very high94.2Very high0 Ų039.8 Ų39.80%020%0.203CC..Hα-helixtrans-73.1-39.3176173.70000111.5I364 V367 F368 C429 V430 K436 L437 I679 L683 I684I364-V433 HydrophobicContact CD1-CG1 4.49Å; I364-V433 HydrophobicContact CG1-CG1 4.46Å; I364-V433 HydrophobicContact CG2-CG1 4.32Å; I364-V433 HydrophobicContact CG2-CG2 4.33Å; V367-V433 HydrophobicContact CB-CG2 4.37Å; V367-V433 HydrophobicContact CG1-CG2 3.91Å; F368-V433 HydrophobicContact CD1-CG2 4.41Å; F368-V433 HydrophobicContact CE1-CG2 3.67Å; F368-V433 HydrophobicContact CZ-CG2 4.01Å; C429-V433 WeakPolarHBondContact O-CG2 3.37Å; C429-V433 PolarHBondContact O-N 2.9Å; V430-V433 PolarHBondContact O-N 2.8Å; V433-K436 PolarHBondContact O-N 3.2Å; V433-K436 VanDerWaalsContact O-N 3.17Å; V433-L437 HydrophobicContact CG1-CD1 3.92Å; V433-L437 HydrophobicContact CG1-CG 4.34Å; V433-L437 WeakPolarHBondContact O-CG 3.34Å; V433-L437 PolarHBondContact O-N 3.1Å; V433-I679 HydrophobicContact CB-CG2 4.14Å; V433-I679 HydrophobicContact CG1-CG2 3.79Å; V433-I679 HydrophobicContact CG2-CG2 4.26Å; V433-L683 HydrophobicContact CG1-CD2 4.14Å; V433-I684 HydrophobicContact CG1-CD1 4Å; V433-I684 HydrophobicContact CG1-CG1 4.39Å
434V96.7Very high94Very high16 Ų1638 Ų3810%0.09720%0.196CC..Hα-helixtrans-59.5-47.3175.4168.20000110.8V430 D431 K436 L437 T438 V466 E470 L683V430-V434 HydrophobicContact CG1-CG2 4.18Å; V430-V434 WeakPolarHBondContact O-CG2 3.45Å; V430-V434 PolarHBondContact O-N 3.08Å; D431-V434 PolarHBondContact O-N 3.17Å; V434-K436 VanDerWaalsContact C-N 3.27Å; V434-K436 PolarHBondContact O-N 3.15Å; V434-L437 PolarHBondContact O-N 2.75Å; V434-L437 VanDerWaalsContact O-N 3.1Å; V434-T438 PolarHBondContact O-N 2.97Å; V434-T438 PolarHBondContact O-OG1 3.09Å; V434-V466 HydrophobicContact CG1-CG1 3.83Å; V434-V466 HydrophobicContact CG2-CG1 4.49Å; V434-E470 HydrophobicContact CG2-CB 3.96Å; V434-E470 HydrophobicContact CG2-CG 3.89Å; V434-L683 HydrophobicContact CG2-CD2 3.71Å
435S95.1Very high93.7Very high64 Ų6431.8 Ų31.845%0.44816%0.164SC..Hα-helixtrans-53.8-45.1174.4-172.90000111.6D431 L437 T438 D439D431-S435 PolarHBondContact O-N 3.17Å; S435-L437 PolarHBondContact O-N 3.36Å; S435-T438 PolarHBondContact O-N 3.2Å; S435-D439 PolarHBondContact O-N 2.72Å
436K92.7Very high93.3Very high49 Ų4935.7 Ų35.721%0.21318%0.184CC..Hα-helixtrans-71-27.1179.2-67.3-44.8-168.3165.20114.6E363 I364 M432 V433 V434 D439 V440E363-K436 HydrophobicContact CB-CD 4.46Å; E363-K436 HydrophobicContact CB-CG 4.31Å; E363-K436 VanDerWaalsContact CD-CE 3.45Å; E363-K436 VanDerWaalsContact OE1-CE 3.31Å; E363-K436 WeakPolarHBondContact OE1-CE 3.44Å; E363-K436 IonicContact OE1-NZ 3.86Å; E363-K436 PolarHBondContact OE1-NZ 3.33Å; E363-K436 WeakPolarHBondContact OE2-CD 3.36Å; E363-K436 WeakPolarHBondContact OE2-CE 3.45Å; E363-K436 IonicContact OE2-NZ 2.75Å; E363-K436 PolarHBondContact OE2-NZ 3.02Å; I364-K436 HydrophobicContact CG1-CB 4.08Å; M432-K436 WeakPolarHBondContact O-CG 3.32Å; M432-K436 PolarHBondContact O-N 3.37Å; V433-K436 PolarHBondContact O-N 3.2Å; V433-K436 VanDerWaalsContact O-N 3.17Å; V434-K436 VanDerWaalsContact C-N 3.27Å; V434-K436 PolarHBondContact O-N 3.15Å; K436-D439 WeakPolarHBondContact CD-OD2 3.46Å; K436-D439 IonicContact NZ-OD2 2.75Å; K436-D439 PolarHBondContact NZ-OD2 3.08Å; K436-V440 WeakPolarHBondContact O-CG2 3.36Å; K436-V440 PolarHBondContact O-N 3.48Å
437L93.5Very high92.6Very high3 Ų342.5 Ų42.52%0.01621%0.214CC..Hα-helixtrans-71.7-36.4170.7-70.3164.9000111.8F342 I346 I364 V433 V434 S435 V440 L441 L683 I684 I687F342-L437 HydrophobicContact CZ-CD2 4.1Å; I346-L437 HydrophobicContact CD1-CD2 3.7Å; I346-L437 HydrophobicContact CG1-CD2 4.48Å; I364-L437 HydrophobicContact CD1-CD2 4.02Å; I364-L437 HydrophobicContact CD1-CG 4.31Å; V433-L437 HydrophobicContact CG1-CD1 3.92Å; V433-L437 HydrophobicContact CG1-CG 4.34Å; V433-L437 WeakPolarHBondContact O-CG 3.34Å; V433-L437 PolarHBondContact O-N 3.1Å; V434-L437 PolarHBondContact O-N 2.75Å; V434-L437 VanDerWaalsContact O-N 3.1Å; S435-L437 PolarHBondContact O-N 3.36Å; L437-V440 PolarHBondContact O-N 3.18Å; L437-L441 WeakPolarHBondContact O-CB 3.06Å; L437-L441 PolarHBondContact O-N 3.35Å; L437-L683 HydrophobicContact CD1-CD1 4.44Å; L437-L683 HydrophobicContact CD1-CD2 3.62Å; L437-L683 HydrophobicContact CD1-CG 3.73Å; L437-I684 HydrophobicContact CD1-CG1 4.1Å; L437-I684 HydrophobicContact CD2-CG1 4.3Å; L437-I687 HydrophobicContact CD1-CD1 3.86Å
438T92.9Very high91.9Very high32 Ų3241 Ų4120%0.19621%0.206CC..Hα-helixtrans-68.3-39.6173.6-60.60000112V434 S435 V440 L441 Q442V434-T438 PolarHBondContact O-N 2.97Å; V434-T438 PolarHBondContact O-OG1 3.09Å; S435-T438 PolarHBondContact O-N 3.2Å; T438-V440 VanDerWaalsContact C-N 3.33Å; T438-V440 PolarHBondContact O-N 2.93Å; T438-L441 WeakPolarHBondContact O-CB 3.46Å; T438-L441 PolarHBondContact O-N 3.42Å; T438-Q442 PolarHBondContact O-N 3.08Å; T438-Q442 VanDerWaalsContact O-N 3.09Å
439D91.5Very high91.1Very high48 Ų4839 Ų3926%0.25721%0.208SC..Hα-helixtrans-57.5-45.2173.3-66.8-7.9000111.2S435 K436 Q442 Q443S435-D439 PolarHBondContact O-N 2.72Å; K436-D439 WeakPolarHBondContact CD-OD2 3.46Å; K436-D439 IonicContact NZ-OD2 2.75Å; K436-D439 PolarHBondContact NZ-OD2 3.08Å; D439-Q442 PolarHBondContact O-N 2.91Å; D439-Q443 WeakPolarHBondContact O-CG 3.19Å; D439-Q443 PolarHBondContact O-N 3.33Å
440V91Very high90.3Very high2 Ų241.5 Ų41.51%0.01222%0.216CC..Hα-helixtrans-67.2-39.5177.1173.90000111.9F342 N345 I346 G360 K436 L437 T438 Q442 Q443 C444F342-V440 HydrophobicContact CD2-CG1 3.83Å; F342-V440 HydrophobicContact CE2-CB 4.38Å; F342-V440 HydrophobicContact CE2-CG1 3.88Å; N345-V440 HydrophobicContact CB-CG1 3.83Å; I346-V440 HydrophobicContact CD1-CB 4.36Å; I346-V440 HydrophobicContact CD1-CG1 4.11Å; I346-V440 HydrophobicContact CD1-CG2 4.08Å; I346-V440 HydrophobicContact CG1-CG1 4.42Å; G360-V440 VanDerWaalsContact CA-CG2 3.42Å; K436-V440 WeakPolarHBondContact O-CG2 3.36Å; K436-V440 PolarHBondContact O-N 3.48Å; L437-V440 PolarHBondContact O-N 3.18Å; T438-V440 VanDerWaalsContact C-N 3.33Å; T438-V440 PolarHBondContact O-N 2.93Å; V440-Q442 VanDerWaalsContact C-N 3.33Å; V440-Q442 PolarHBondContact O-N 3.25Å; V440-Q443 PolarHBondContact O-N 3.32Å; V440-C444 PolarHBondContact O-N 2.85Å; V440-C444 PolarHBondContact O-SG 3.06Å; V440-C444 VanDerWaalsContact O-SG 3.37Å
441L92.6Very high89.7Confident2 Ų241.8 Ų41.81%0.0122%0.217CC..Hα-helixtrans-57.4-45.6176.7171.358.5000111.6F338 F342 L437 T438 C444 S445 V462 N463F338-L441 HydrophobicContact CE2-CD1 4.19Å; F338-L441 HydrophobicContact CZ-CD1 3.59Å; F342-L441 HydrophobicContact CE2-CB 4.46Å; L437-L441 WeakPolarHBondContact O-CB 3.06Å; L437-L441 PolarHBondContact O-N 3.35Å; T438-L441 WeakPolarHBondContact O-CB 3.46Å; T438-L441 PolarHBondContact O-N 3.42Å; L441-C444 PolarHBondContact O-N 3.22Å; L441-S445 WeakPolarHBondContact O-CB 3.36Å; L441-S445 PolarHBondContact O-N 3.27Å; L441-S445 PolarHBondContact O-OG 3.5Å; L441-V462 HydrophobicContact CD1-CB 4.03Å; L441-V462 HydrophobicContact CD1-CG1 3.96Å; L441-V462 HydrophobicContact CD1-CG2 4.45Å; L441-V462 HydrophobicContact CD2-CB 4.04Å; L441-V462 HydrophobicContact CD2-CG1 3.88Å; L441-N463 WeakPolarHBondContact CD2-ND2 3.46Å; L441-N463 WeakPolarHBondContact CD2-OD1 3.27Å
442Q90.7Very high89.2Confident95 Ų9540.7 Ų40.744%0.44421%0.214SC..Hα-helixtrans-64.2-43.3178.4-70176.4-3.600112.1T438 D439 V440 C444 S445 D446T438-Q442 PolarHBondContact O-N 3.08Å; T438-Q442 VanDerWaalsContact O-N 3.09Å; D439-Q442 PolarHBondContact O-N 2.91Å; V440-Q442 VanDerWaalsContact C-N 3.33Å; V440-Q442 PolarHBondContact O-N 3.25Å; Q442-C444 VanDerWaalsContact C-N 3.33Å; Q442-C444 PolarHBondContact O-N 3.27Å; Q442-S445 WeakPolarHBondContact CA-OG 3.41Å; Q442-S445 PolarHBondContact O-N 2.6Å; Q442-S445 PolarHBondContact O-OG 2.76Å; Q442-D446 PolarHBondContact O-N 3.22Å; Q442-D446 VanDerWaalsContact O-N 3.09Å
443Q87.4Confident88.8Confident97 Ų9742.8 Ų42.845%0.45322%0.219SC..Hα-helixtrans-62.7-38.9177.8-68.8169.128.200112.3D439 V440D439-Q443 WeakPolarHBondContact O-CG 3.19Å; D439-Q443 PolarHBondContact O-N 3.33Å; V440-Q443 PolarHBondContact O-N 3.32Å
444C89.2Confident88.5Confident2 Ų242.8 Ų42.81%0.01422%0.219CC..Hα-helixtrans-73.2-34.3175.3-66.10000112.7F338 N345 V440 L441 Q442F338-C444 HydrophobicContact CD2-CB 3.84Å; F338-C444 HydrophobicContact CE2-CB 3.56Å; F338-C444 HydrophobicContact CZ-CB 4.49Å; N345-C444 PolarHBondContact ND2-SG 2.85Å; V440-C444 PolarHBondContact O-N 2.85Å; V440-C444 PolarHBondContact O-SG 3.06Å; V440-C444 VanDerWaalsContact O-SG 3.37Å; L441-C444 PolarHBondContact O-N 3.22Å; Q442-C444 VanDerWaalsContact C-N 3.33Å; Q442-C444 PolarHBondContact O-N 3.27Å
445S89Confident88.2Confident0 Ų045 Ų450%023%0.226CC..Hα-helixtrans-76.1-25.3-177.271.70000113.1L441 Q442 K447 V448 R455 E459L441-S445 WeakPolarHBondContact O-CB 3.36Å; L441-S445 PolarHBondContact O-N 3.27Å; L441-S445 PolarHBondContact O-OG 3.5Å; Q442-S445 WeakPolarHBondContact CA-OG 3.41Å; Q442-S445 PolarHBondContact O-N 2.6Å; Q442-S445 PolarHBondContact O-OG 2.76Å; S445-K447 PolarHBondContact O-N 3.47Å; S445-V448 WeakPolarHBondContact O-CA 3.18Å; S445-V448 WeakPolarHBondContact O-CB 3.13Å; S445-V448 PolarHBondContact O-N 2.95Å; S445-R455 PolarHBondContact OG-NH2 3.34Å; S445-E459 VanDerWaalsContact CB-OE1 3.29Å; S445-E459 WeakPolarHBondContact CB-OE1 3.45Å; S445-E459 PolarHBondContact OG-OE1 3.35Å
446D85.7Confident88Confident92 Ų9248.1 Ų48.149%0.49223%0.233SC..Hα-helixtrans-55.3-37.3173.9-80.2-30.7000112.6Q442 V448 G449 R455Q442-D446 PolarHBondContact O-N 3.22Å; Q442-D446 VanDerWaalsContact O-N 3.09Å; D446-V448 PolarHBondContact O-N 3.18Å; D446-G449 PolarHBondContact O-N 2.77Å; D446-R455 IonicContact OD1-CZ 2.85Å; D446-R455 IonicContact OD1-NH1 3.89Å; D446-R455 PolarHBondContact OD1-NH1 2.81Å; D446-R455 IonicContact OD1-NH2 3.97Å; D446-R455 PolarHBondContact OD1-NH2 2.79Å
447K80Confident88Confident143 Ų14346.6 Ų46.662%0.62223%0.226SC*.THydrogen-bonded Turntrans-70.7-13.9176.2-69.1176.5179.2166.90114.2E341 S445 G449E341-K447 WeakPolarHBondContact OE1-CD 3.45Å; E341-K447 WeakPolarHBondContact OE1-CE 3.34Å; E341-K447 IonicContact OE1-NZ 3.62Å; E341-K447 PolarHBondContact OE1-NZ 3.21Å; E341-K447 WeakPolarHBondContact OE2-CD 3.41Å; E341-K447 IonicContact OE2-NZ 2.75Å; E341-K447 PolarHBondContact OE2-NZ 3.22Å; S445-K447 PolarHBondContact O-N 3.47Å; K447-G449 VanDerWaalsContact C-N 3.3Å
448V83Confident87.9Confident5 Ų546.5 Ų46.53%0.0323%0.226CC..THydrogen-bonded Turntrans-88.2-2171.4-170.60000111.1M334 F338 S445 D446 R450 F451 L454 R455 I458M334-V448 HydrophobicContact CE-CB 4.34Å; M334-V448 HydrophobicContact CE-CG1 3.92Å; F338-V448 HydrophobicContact CD2-CG2 4.26Å; S445-V448 WeakPolarHBondContact O-CA 3.18Å; S445-V448 WeakPolarHBondContact O-CB 3.13Å; S445-V448 PolarHBondContact O-N 2.95Å; D446-V448 PolarHBondContact O-N 3.18Å; V448-R450 PolarHBondContact O-N 3.33Å; V448-F451 PolarHBondContact O-N 3.44Å; V448-L454 HydrophobicContact CG1-CB 4.37Å; V448-L454 HydrophobicContact CG1-CD2 3.85Å; V448-L454 HydrophobicContact CG1-CG 3.9Å; V448-R455 HydrophobicContact CB-CB 4.43Å; V448-R455 HydrophobicContact CG1-CB 4.39Å; V448-I458 HydrophobicContact CG1-CD1 4.27Å
449G79.6Confident88Confident34 Ų3446.9 Ų46.935%0.35123%0.225SC..THydrogen-bonded Turntrans-55.2-15.6-174.100000117D446 K447 F451D446-G449 PolarHBondContact O-N 2.77Å; K447-G449 VanDerWaalsContact C-N 3.3Å; G449-F451 PolarHBondContact O-N 3.37Å
450R77.8Confident88.1Confident55 Ų5550.5 Ų50.521%0.20824%0.236CC..THydrogen-bonded Turntrans-56.2-34.5169.7-173.3169.3173.7-178.6-4.5112.9V448 E710 S711 E714V448-R450 PolarHBondContact O-N 3.33Å; R450-E710 IonicContact CZ-OE1 3.75Å; R450-E710 IonicContact NE-OE1 3.95Å; R450-E710 PolarHBondContact NE-OE1 3.4Å; R450-E710 IonicContact NH2-OE1 2.64Å; R450-E710 PolarHBondContact NH2-OE1 2.84Å; R450-S711 PolarHBondContact O-N 3.47Å; R450-E714 WeakPolarHBondContact CD-OE1 3.29Å; R450-E714 HydrophobicContact CG-CG 3.85Å; R450-E714 IonicContact NE-OE1 3.09Å
451F85.3Confident88.2Confident6 Ų650.5 Ų50.53%0.02624%0.236CC..SBendtrans-120.286.3-178.6-57.9-74.3000109.4Y319 M334 V448 G449 R453 L454 R455 M708 E710Y319-F451 HydrophobicContact CE2-CE1 4.28Å; Y319-F451 AromaticContact CE2-CZ 3.93Å; Y319-F451 HydrophobicContact CE2-CZ 3.93Å; M334-F451 HydrophobicContact CE-CD2 3.81Å; M334-F451 HydrophobicContact CE-CE2 4.11Å; M334-F451 HydrophobicContact SD-CD2 3.36Å; M334-F451 WeakPolarHBondContact SD-CD2 3.34Å; M334-F451 HydrophobicContact SD-CE2 3.43Å; M334-F451 WeakPolarHBondContact SD-CE2 3.19Å; V448-F451 PolarHBondContact O-N 3.44Å; G449-F451 PolarHBondContact O-N 3.37Å; F451-R453 VanDerWaalsContact C-N 3.31Å; F451-R453 PolarHBondContact O-N 3.01Å; F451-L454 HydrophobicContact CB-CB 3.84Å; F451-L454 HydrophobicContact CB-CD2 4.46Å; F451-L454 PolarHBondContact O-N 3.03Å; F451-L454 VanDerWaalsContact O-N 3.12Å; F451-R455 PolarHBondContact O-N 3.37Å; F451-M708 HydrophobicContact CD1-CB 4.45Å; F451-M708 HydrophobicContact CD1-CE 4.18Å; F451-M708 HydrophobicContact CD2-CE 3.96Å; F451-M708 HydrophobicContact CE1-CE 3.9Å; F451-M708 HydrophobicContact CE2-CE 3.68Å; F451-M708 HydrophobicContact CG-CE 4.2Å; F451-M708 HydrophobicContact CZ-CE 3.65Å; F451-E710 HydrophobicContact CD1-CG 4.4Å; F451-E710 HydrophobicContact CE1-CG 3.73Å; F451-E710 HydrophobicContact CZ-CG 4.45Å
452P86.8Confident88.3Confident47 Ų4750.5 Ų50.531%0.30524%0.236SC..Hα-helixtrans-59.4-38.4-170.120.6-32.5000113.1R455 E456P452-R455 WeakPolarHBondContact O-CB 3.27Å; P452-R455 PolarHBondContact O-N 3.21Å; P452-E456 WeakPolarHBondContact O-CG 3.03Å; P452-E456 PolarHBondContact O-N 3.12Å
453R87.8Confident88.5Confident107 Ų10747.6 Ų47.640%0.40422%0.223SC..Hα-helixtrans-67.3-38.6176.8-73.3179.2-179.5156.514.9113.4F451 R455 E457 N706 E709F451-R453 VanDerWaalsContact C-N 3.31Å; F451-R453 PolarHBondContact O-N 3.01Å; R453-R455 VanDerWaalsContact C-N 3.34Å; R453-E457 WeakPolarHBondContact O-CB 3.25Å; R453-E457 PolarHBondContact O-N 3Å; R453-N706 WeakPolarHBondContact CD-O 3.49Å; R453-N706 PolarHBondContact NH1-O 3.21Å; R453-E709 IonicContact CZ-OE2 3.74Å; R453-E709 IonicContact NH1-OE2 3.67Å; R453-E709 PolarHBondContact NH1-OE2 3.42Å; R453-E709 IonicContact NH2-OE2 3.91Å; R453-E709 PolarHBondContact NH2-OE2 2.97Å
454L90.1Very high88.9Confident0 Ų046.9 Ų46.90%022%0.221CC..Hα-helixtrans-63.6-42.4173177.960.8000111L331 M334 V448 F451 E457 I458 L699 L707 M708L331-L454 HydrophobicContact CD1-CD1 3.44Å; L331-L454 VanDerWaalsContact CD1-CD1 3.44Å; L331-L454 HydrophobicContact CD1-CD2 3.89Å; L331-L454 HydrophobicContact CD1-CG 4.33Å; M334-L454 HydrophobicContact CB-CD2 4.42Å; M334-L454 HydrophobicContact SD-CD2 4.19Å; V448-L454 HydrophobicContact CG1-CB 4.37Å; V448-L454 HydrophobicContact CG1-CD2 3.85Å; V448-L454 HydrophobicContact CG1-CG 3.9Å; F451-L454 HydrophobicContact CB-CB 3.84Å; F451-L454 HydrophobicContact CB-CD2 4.46Å; F451-L454 PolarHBondContact O-N 3.03Å; F451-L454 VanDerWaalsContact O-N 3.12Å; L454-E457 PolarHBondContact O-N 2.97Å; L454-I458 HydrophobicContact CD1-CD1 3.82Å; L454-I458 HydrophobicContact CD1-CG1 4.08Å; L454-I458 HydrophobicContact CG-CD1 3.83Å; L454-I458 HydrophobicContact CG-CG1 4.46Å; L454-I458 WeakPolarHBondContact O-CB 3.44Å; L454-I458 VanDerWaalsContact O-CG1 3.28Å; L454-I458 WeakPolarHBondContact O-CG1 3.31Å; L454-I458 PolarHBondContact O-N 3.08Å; L454-L699 HydrophobicContact CD1-CD1 4.22Å; L454-L699 HydrophobicContact CD1-CD2 4.23Å; L454-L707 HydrophobicContact CB-CB 4.46Å; L454-L707 PolarHBondContact N-O 3.16Å; L454-M708 HydrophobicContact CD2-SD 3.86Å
455R91.3Very high89.2Confident63 Ų6349.4 Ų49.424%0.23823%0.23CC..Hα-helixtrans-58.6-54175178.8-167.7168.6143.115.2111.3S445 D446 V448 F451 P452 R453 E457 I458 E459S445-R455 PolarHBondContact OG-NH2 3.34Å; D446-R455 IonicContact OD1-CZ 2.85Å; D446-R455 IonicContact OD1-NH1 3.89Å; D446-R455 PolarHBondContact OD1-NH1 2.81Å; D446-R455 IonicContact OD1-NH2 3.97Å; D446-R455 PolarHBondContact OD1-NH2 2.79Å; V448-R455 HydrophobicContact CB-CB 4.43Å; V448-R455 HydrophobicContact CG1-CB 4.39Å; F451-R455 PolarHBondContact O-N 3.37Å; P452-R455 WeakPolarHBondContact O-CB 3.27Å; P452-R455 PolarHBondContact O-N 3.21Å; R453-R455 VanDerWaalsContact C-N 3.34Å; R455-E457 VanDerWaalsContact C-N 3.31Å; R455-E457 PolarHBondContact O-N 3.18Å; R455-I458 PolarHBondContact O-N 2.9Å; R455-E459 IonicContact CZ-OE1 3.12Å; R455-E459 IonicContact NE-OE1 3.61Å; R455-E459 PolarHBondContact NE-OE1 2.91Å; R455-E459 IonicContact NH2-OE1 2.7Å; R455-E459 PolarHBondContact NH2-OE1 3.3Å; R455-E459 VanDerWaalsContact NH2-OE1 3.15Å; R455-E459 WeakPolarHBondContact O-CG 3.33Å; R455-E459 PolarHBondContact O-N 3.44Å
456E91.1Very high89.6Confident129 Ų12949.6 Ų49.660%0.60323%0.232SC*.Hα-helixtrans-55.9-44.7178.9-75.4171.1-168.900111.6P452 E459 R460P452-E456 WeakPolarHBondContact O-CG 3.03Å; P452-E456 PolarHBondContact O-N 3.12Å; E456-E459 PolarHBondContact O-N 2.9Å; E456-R460 WeakPolarHBondContact O-CB 3.3Å; E456-R460 PolarHBondContact O-N 3.5Å
457E91.4Very high90.1Very high16 Ų1653.2 Ų53.28%0.07524%0.238CC..Hα-helixtrans-69.8-40.2-179.8-178.662.1-171.200112.6R453 L454 R455 R460 V461 L699 Q702 L707R453-E457 WeakPolarHBondContact O-CB 3.25Å; R453-E457 PolarHBondContact O-N 3Å; L454-E457 PolarHBondContact O-N 2.97Å; R455-E457 VanDerWaalsContact C-N 3.31Å; R455-E457 PolarHBondContact O-N 3.18Å; E457-R460 PolarHBondContact O-N 3.21Å; E457-R460 IonicContact OE1-CZ 3.65Å; E457-R460 IonicContact OE1-NE 2.7Å; E457-R460 IonicContact OE1-NH2 3.65Å; E457-R460 PolarHBondContact OE1-NH2 3.24Å; E457-R460 IonicContact OE2-CZ 2.73Å; E457-R460 IonicContact OE2-NE 2.77Å; E457-R460 PolarHBondContact OE2-NE 3.03Å; E457-R460 IonicContact OE2-NH2 3.89Å; E457-R460 PolarHBondContact OE2-NH2 3.4Å; E457-V461 HydrophobicContact CG-CG2 4.32Å; E457-V461 WeakPolarHBondContact O-CB 3.37Å; E457-V461 VanDerWaalsContact O-CG2 3.27Å; E457-V461 WeakPolarHBondContact O-CG2 3.28Å; E457-V461 PolarHBondContact O-N 3.4Å; E457-V461 VanDerWaalsContact OE1-CG2 3.25Å; E457-V461 WeakPolarHBondContact OE1-CG2 3.44Å; E457-L699 HydrophobicContact CB-CD2 4.25Å; E457-L699 HydrophobicContact CG-CD2 3.54Å; E457-Q702 PolarHBondContact OE1-NE2 3.22Å; E457-Q702 PolarHBondContact OE2-NE2 3.19Å; E457-L707 HydrophobicContact CB-CD2 3.88Å; E457-L707 HydrophobicContact CG-CD2 4.11Å
458I92.5Very high90.9Very high1 Ų150.2 Ų50.21%0.00523%0.226CC..Hα-helixtrans-60.2-50.8172.8-73.2170.4000110.1F338 V448 L454 R455 R460 V461 V462 L699F338-I458 HydrophobicContact CD1-CG2 4.12Å; F338-I458 HydrophobicContact CD2-CG2 4.47Å; F338-I458 HydrophobicContact CE1-CG2 3.56Å; F338-I458 HydrophobicContact CE2-CG2 3.96Å; F338-I458 HydrophobicContact CZ-CG2 3.48Å; F338-I458 VanDerWaalsContact CZ-CG2 3.48Å; V448-I458 HydrophobicContact CG1-CD1 4.27Å; L454-I458 HydrophobicContact CD1-CD1 3.82Å; L454-I458 HydrophobicContact CD1-CG1 4.08Å; L454-I458 HydrophobicContact CG-CD1 3.83Å; L454-I458 HydrophobicContact CG-CG1 4.46Å; L454-I458 WeakPolarHBondContact O-CB 3.44Å; L454-I458 VanDerWaalsContact O-CG1 3.28Å; L454-I458 WeakPolarHBondContact O-CG1 3.31Å; L454-I458 PolarHBondContact O-N 3.08Å; R455-I458 PolarHBondContact O-N 2.9Å; I458-R460 VanDerWaalsContact C-N 3.32Å; I458-R460 PolarHBondContact O-N 3.02Å; I458-V461 PolarHBondContact O-N 3.33Å; I458-V462 HydrophobicContact CG2-CG2 4.3Å; I458-V462 WeakPolarHBondContact O-CB 3.39Å; I458-V462 VanDerWaalsContact O-CG2 3.27Å; I458-V462 WeakPolarHBondContact O-CG2 3.47Å; I458-V462 PolarHBondContact O-N 3.48Å; I458-L699 HydrophobicContact CD1-CD1 4.39Å; I458-L699 HydrophobicContact CG1-CD1 3.92Å; I458-L699 HydrophobicContact CG1-CD2 4.06Å
459E93.4Very high91.6Very high40 Ų4050.5 Ų50.519%0.18723%0.228CC..Hα-helixtrans-58.9-43.5178.3-75-177.7-158.400111.4S445 R455 E456 N463S445-E459 VanDerWaalsContact CB-OE1 3.29Å; S445-E459 WeakPolarHBondContact CB-OE1 3.45Å; S445-E459 PolarHBondContact OG-OE1 3.35Å; R455-E459 IonicContact CZ-OE1 3.12Å; R455-E459 IonicContact NE-OE1 3.61Å; R455-E459 PolarHBondContact NE-OE1 2.91Å; R455-E459 IonicContact NH2-OE1 2.7Å; R455-E459 PolarHBondContact NH2-OE1 3.3Å; R455-E459 VanDerWaalsContact NH2-OE1 3.15Å; R455-E459 WeakPolarHBondContact O-CG 3.33Å; R455-E459 PolarHBondContact O-N 3.44Å; E456-E459 PolarHBondContact O-N 2.9Å; E459-N463 WeakPolarHBondContact O-CB 3.38Å; E459-N463 PolarHBondContact O-N 3.21Å; E459-N463 PolarHBondContact O-ND2 3.39Å
460R94.2Very high92.5Very high124 Ų12450.8 Ų50.847%0.46822%0.22SC..Hα-helixtrans-62.3-49.8178.3-170.6-167.672.775.70.1111.9E456 E457 I458 M464E456-R460 WeakPolarHBondContact O-CB 3.3Å; E456-R460 PolarHBondContact O-N 3.5Å; E457-R460 PolarHBondContact O-N 3.21Å; E457-R460 IonicContact OE1-CZ 3.65Å; E457-R460 IonicContact OE1-NE 2.7Å; E457-R460 IonicContact OE1-NH2 3.65Å; E457-R460 PolarHBondContact OE1-NH2 3.24Å; E457-R460 IonicContact OE2-CZ 2.73Å; E457-R460 IonicContact OE2-NE 2.77Å; E457-R460 PolarHBondContact OE2-NE 3.03Å; E457-R460 IonicContact OE2-NH2 3.89Å; E457-R460 PolarHBondContact OE2-NH2 3.4Å; I458-R460 VanDerWaalsContact C-N 3.32Å; I458-R460 PolarHBondContact O-N 3.02Å; R460-M464 WeakPolarHBondContact O-CB 3.21Å; R460-M464 PolarHBondContact O-N 2.92Å
461V94.1Very high93.4Very high3 Ų353.5 Ų53.52%0.01824%0.238CC..Hα-helixtrans-67.1-42.6-177.11690000111.4E457 I458 R465 F690 L695 K698E457-V461 HydrophobicContact CG-CG2 4.32Å; E457-V461 WeakPolarHBondContact O-CB 3.37Å; E457-V461 VanDerWaalsContact O-CG2 3.27Å; E457-V461 WeakPolarHBondContact O-CG2 3.28Å; E457-V461 PolarHBondContact O-N 3.4Å; E457-V461 VanDerWaalsContact OE1-CG2 3.25Å; E457-V461 WeakPolarHBondContact OE1-CG2 3.44Å; I458-V461 PolarHBondContact O-N 3.33Å; V461-R465 PolarHBondContact O-N 2.63Å; V461-F690 HydrophobicContact CG1-CE1 4.06Å; V461-F690 HydrophobicContact CG1-CZ 3.66Å; V461-L695 HydrophobicContact CB-CD1 4.33Å; V461-L695 HydrophobicContact CG1-CD1 3.83Å; V461-K698 HydrophobicContact CG1-CB 4.29Å; V461-K698 HydrophobicContact CG1-CD 4.01Å
462V95Very high94Very high2 Ų255.3 Ų55.31%0.01225%0.254CS..Hα-helixtrans-71.1-45.3179-179.10000111F338 L441 I458 M464 R465 V466 F690 L691 L695F338-V462 HydrophobicContact CE1-CG2 4.46Å; L441-V462 HydrophobicContact CD1-CB 4.03Å; L441-V462 HydrophobicContact CD1-CG1 3.96Å; L441-V462 HydrophobicContact CD1-CG2 4.45Å; L441-V462 HydrophobicContact CD2-CB 4.04Å; L441-V462 HydrophobicContact CD2-CG1 3.88Å; I458-V462 HydrophobicContact CG2-CG2 4.3Å; I458-V462 WeakPolarHBondContact O-CB 3.39Å; I458-V462 VanDerWaalsContact O-CG2 3.27Å; I458-V462 WeakPolarHBondContact O-CG2 3.47Å; I458-V462 PolarHBondContact O-N 3.48Å; V462-M464 VanDerWaalsContact C-N 3.29Å; V462-M464 PolarHBondContact O-N 2.99Å; V462-R465 PolarHBondContact O-N 2.83Å; V462-R465 VanDerWaalsContact O-N 3.1Å; V462-V466 HydrophobicContact CG1-CG2 4.28Å; V462-V466 WeakPolarHBondContact O-CG2 3.22Å; V462-V466 PolarHBondContact O-N 2.97Å; V462-F690 HydrophobicContact CG2-CE1 4.42Å; V462-L691 HydrophobicContact CG1-CD2 4.36Å; V462-L691 HydrophobicContact CG2-CD2 3.61Å; V462-L695 HydrophobicContact CG2-CD1 4.2Å; V462-L695 HydrophobicContact CG2-CD2 4.44Å
463N95Very high94.5Very high34 Ų3453.1 Ų53.118%0.18224%0.239CC..Hα-helixtrans-61.8-35.6176.9-80.3-59.2000112.7L441 E459 V466 R467L441-N463 WeakPolarHBondContact CD2-ND2 3.46Å; L441-N463 WeakPolarHBondContact CD2-OD1 3.27Å; E459-N463 WeakPolarHBondContact O-CB 3.38Å; E459-N463 PolarHBondContact O-N 3.21Å; E459-N463 PolarHBondContact O-ND2 3.39Å; N463-V466 PolarHBondContact O-N 3.28Å; N463-R467 WeakPolarHBondContact O-CG 3.34Å; N463-R467 PolarHBondContact O-N 3.29Å; N463-R467 VanDerWaalsContact O-N 3.1Å
464M95.4Very high95Very high81 Ų8150.2 Ų50.240%0.39923%0.229SC..Hα-helixtrans-61-45.9173.2-170.9175.675.900111.1R460 V462 R467 E468R460-M464 WeakPolarHBondContact O-CB 3.21Å; R460-M464 PolarHBondContact O-N 2.92Å; V462-M464 VanDerWaalsContact C-N 3.29Å; V462-M464 PolarHBondContact O-N 2.99Å; M464-R467 PolarHBondContact O-N 2.97Å; M464-E468 WeakPolarHBondContact O-CG 3.37Å; M464-E468 PolarHBondContact O-N 3.19Å; M464-E468 VanDerWaalsContact O-N 3.11Å
465R95.8Very high95.4Very high55 Ų5556.2 Ų56.221%0.20826%0.258CS..Hα-helixtrans-65.8-38.2176.7-175.556.3173.9164.63.3113V461 V462 R467 E468 L469 E686 F690V461-R465 PolarHBondContact O-N 2.63Å; V462-R465 PolarHBondContact O-N 2.83Å; V462-R465 VanDerWaalsContact O-N 3.1Å; R465-R467 VanDerWaalsContact C-N 3.32Å; R465-R467 PolarHBondContact O-N 2.86Å; R465-E468 WeakPolarHBondContact CD-OE2 3.44Å; R465-E468 IonicContact CZ-OE2 3.52Å; R465-E468 IonicContact NE-OE2 3.7Å; R465-E468 IonicContact NH1-OE2 3.91Å; R465-E468 PolarHBondContact NH1-OE2 3.01Å; R465-E468 PolarHBondContact O-N 3.39Å; R465-L469 HydrophobicContact CG-CD1 4.01Å; R465-L469 HydrophobicContact CG-CG 4.43Å; R465-L469 WeakPolarHBondContact O-CB 3.44Å; R465-L469 WeakPolarHBondContact O-CG 3.15Å; R465-L469 PolarHBondContact O-N 3.31Å; R465-E686 IonicContact NH2-OE2 2.68Å; R465-F690 HydrophobicContact CB-CD1 4.07Å; R465-F690 HydrophobicContact CB-CE1 3.97Å; R465-F690 HydrophobicContact CB-CG 4.44Å; R465-F690 HydrophobicContact CB-CZ 4.29Å; R465-F690 HydrophobicContact CG-CB 4.29Å; R465-F690 HydrophobicContact CG-CD1 3.8Å; R465-F690 HydrophobicContact CG-CD2 4.03Å; R465-F690 HydrophobicContact CG-CE1 4.16Å; R465-F690 HydrophobicContact CG-CE2 4.43Å; R465-F690 HydrophobicContact CG-CG 3.73Å; R465-F690 HydrophobicContact CG-CZ 4.48Å
466V96.4Very high95.7Very high5 Ų556.3 Ų56.33%0.0326%0.261CS..Hα-helixtrans-58.2-45.3174.7171.60000110.5V434 V462 N463 L469 E470 I687V434-V466 HydrophobicContact CG1-CG1 3.83Å; V434-V466 HydrophobicContact CG2-CG1 4.49Å; V462-V466 HydrophobicContact CG1-CG2 4.28Å; V462-V466 WeakPolarHBondContact O-CG2 3.22Å; V462-V466 PolarHBondContact O-N 2.97Å; N463-V466 PolarHBondContact O-N 3.28Å; V466-L469 PolarHBondContact O-N 2.94Å; V466-E470 WeakPolarHBondContact O-CB 3.5Å; V466-E470 PolarHBondContact O-N 3.09Å; V466-I687 HydrophobicContact CG2-CD1 3.79Å; V466-I687 HydrophobicContact CG2-CG1 4.34Å
467R96.5Very high96Very high167 Ų16750.2 Ų50.263%0.6323%0.232SC*.Hα-helixtrans-66.3-40.1178.5-69.1173-174.1174.73113.3N463 M464 R465 L469 E470 I471N463-R467 WeakPolarHBondContact O-CG 3.34Å; N463-R467 PolarHBondContact O-N 3.29Å; N463-R467 VanDerWaalsContact O-N 3.1Å; M464-R467 PolarHBondContact O-N 2.97Å; R465-R467 VanDerWaalsContact C-N 3.32Å; R465-R467 PolarHBondContact O-N 2.86Å; R467-L469 VanDerWaalsContact C-N 3.34Å; R467-L469 PolarHBondContact O-N 2.9Å; R467-E470 PolarHBondContact O-N 2.7Å; R467-I471 WeakPolarHBondContact O-CG1 3.48Å; R467-I471 PolarHBondContact O-N 3.29Å
468E96.6Very high96.2Very high80 Ų8052.9 Ų52.937%0.37425%0.245SC..Hα-helixtrans-57.3-48.5173.1-70.9168.8-168.900111.2M464 R465 I471 A472M464-E468 WeakPolarHBondContact O-CG 3.37Å; M464-E468 PolarHBondContact O-N 3.19Å; M464-E468 VanDerWaalsContact O-N 3.11Å; R465-E468 WeakPolarHBondContact CD-OE2 3.44Å; R465-E468 IonicContact CZ-OE2 3.52Å; R465-E468 IonicContact NE-OE2 3.7Å; R465-E468 IonicContact NH1-OE2 3.91Å; R465-E468 PolarHBondContact NH1-OE2 3.01Å; R465-E468 PolarHBondContact O-N 3.39Å; E468-I471 PolarHBondContact O-N 3.15Å; E468-A472 PolarHBondContact O-N 2.92Å
469L97.5Very high96.4Very high12 Ų1255 Ų556%0.06326%0.258CS..Hα-helixtrans-72.5-32.9-177.7-67.9176.2000112.7R465 V466 R467 A472 T473 Q682 L683 E686 I687R465-L469 HydrophobicContact CG-CD1 4.01Å; R465-L469 HydrophobicContact CG-CG 4.43Å; R465-L469 WeakPolarHBondContact O-CB 3.44Å; R465-L469 WeakPolarHBondContact O-CG 3.15Å; R465-L469 PolarHBondContact O-N 3.31Å; V466-L469 PolarHBondContact O-N 2.94Å; R467-L469 VanDerWaalsContact C-N 3.34Å; R467-L469 PolarHBondContact O-N 2.9Å; L469-A472 PolarHBondContact O-N 3.41Å; L469-T473 WeakPolarHBondContact O-CB 3.4Å; L469-T473 PolarHBondContact O-N 3.39Å; L469-T473 PolarHBondContact O-OG1 3.33Å; L469-Q682 WeakPolarHBondContact CD2-O 3.42Å; L469-L683 HydrophobicContact CB-CD1 3.57Å; L469-E686 HydrophobicContact CD1-CB 3.66Å; L469-E686 HydrophobicContact CD2-CB 4Å; L469-E686 HydrophobicContact CD2-CG 4.37Å; L469-E686 HydrophobicContact CG-CB 4.48Å; L469-I687 HydrophobicContact CD1-CG1 3.71Å
470E97.7Very high96.6Very high39 Ų3953.8 Ų53.818%0.18225%0.252CS..Hα-helixtrans-57-50.1171.4174.8-168.5159.200111.1V430 V434 V466 R467 T473 K474V430-E470 HydrophobicContact CG1-CG 4.28Å; V434-E470 HydrophobicContact CG2-CB 3.96Å; V434-E470 HydrophobicContact CG2-CG 3.89Å; V466-E470 WeakPolarHBondContact O-CB 3.5Å; V466-E470 PolarHBondContact O-N 3.09Å; R467-E470 PolarHBondContact O-N 2.7Å; E470-T473 PolarHBondContact O-N 3.08Å; E470-K474 HydrophobicContact CG-CD 4.1Å; E470-K474 WeakPolarHBondContact O-CB 3.49Å; E470-K474 WeakPolarHBondContact O-CG 3.31Å; E470-K474 PolarHBondContact O-N 3.2Å; E470-K474 WeakPolarHBondContact OE1-CE 3.37Å; E470-K474 IonicContact OE1-NZ 3.28Å; E470-K474 PolarHBondContact OE1-NZ 2.86Å
471I97.6Very high96.6Very high113 Ų11347.9 Ų47.958%0.57923%0.23SC*.Hα-helixtrans-61.4-47.3-179.8-66165.9000110.3R467 E468 T473 K474 Q475R467-I471 WeakPolarHBondContact O-CG1 3.48Å; R467-I471 PolarHBondContact O-N 3.29Å; E468-I471 PolarHBondContact O-N 3.15Å; I471-T473 PolarHBondContact O-N 2.72Å; I471-K474 PolarHBondContact O-N 3.41Å; I471-Q475 PolarHBondContact O-N 3.39Å
472A97.4Very high96.8Very high44 Ų4450.9 Ų50.936%0.36425%0.246SC..Hα-helixtrans-61-44.3177.100000112.4E468 L469 Q475 Q476E468-A472 PolarHBondContact O-N 2.92Å; L469-A472 PolarHBondContact O-N 3.41Å; A472-Q475 PolarHBondContact O-N 3.48Å; A472-Q476 PolarHBondContact O-N 2.88Å
473T98.1Very high96.8Very high0 Ų057.2 Ų57.20%027%0.274CS..Hα-helixtrans-64.3-42.1178.7-58.50000111.4V430 L469 E470 I471 Q476 I477 I678 I679V430-T473 HydrophobicContact CG1-CG2 4.13Å; V430-T473 HydrophobicContact CG2-CG2 4.19Å; L469-T473 WeakPolarHBondContact O-CB 3.4Å; L469-T473 PolarHBondContact O-N 3.39Å; L469-T473 PolarHBondContact O-OG1 3.33Å; E470-T473 PolarHBondContact O-N 3.08Å; I471-T473 PolarHBondContact O-N 2.72Å; T473-Q476 PolarHBondContact O-N 3.32Å; T473-I477 HydrophobicContact CG2-CD1 4.06Å; T473-I477 WeakPolarHBondContact O-CG1 3.1Å; T473-I477 PolarHBondContact O-N 3Å; T473-I678 HydrophobicContact CG2-CG2 4.25Å; T473-I679 HydrophobicContact CG2-CB 4.41Å; T473-I679 HydrophobicContact CG2-CG1 3.82Å
474K98Very high96.8Very high46 Ų4657.2 Ų57.220%0.227%0.273CS..Hα-helixtrans-61.8-43.3174.2-76.9176.8174.5174.70111.5L427 V430 D431 E470 I471 I477 Q478L427-K474 HydrophobicContact CD2-CB 3.78Å; L427-K474 HydrophobicContact CD2-CG 3.83Å; V430-K474 HydrophobicContact CB-CG 4.15Å; V430-K474 HydrophobicContact CG1-CG 4.12Å; V430-K474 HydrophobicContact CG2-CG 4.14Å; D431-K474 WeakPolarHBondContact OD1-CE 3.41Å; D431-K474 IonicContact OD1-NZ 3Å; D431-K474 PolarHBondContact OD1-NZ 3.41Å; E470-K474 HydrophobicContact CG-CD 4.1Å; E470-K474 WeakPolarHBondContact O-CB 3.49Å; E470-K474 WeakPolarHBondContact O-CG 3.31Å; E470-K474 PolarHBondContact O-N 3.2Å; E470-K474 WeakPolarHBondContact OE1-CE 3.37Å; E470-K474 IonicContact OE1-NZ 3.28Å; E470-K474 PolarHBondContact OE1-NZ 2.86Å; I471-K474 PolarHBondContact O-N 3.41Å; K474-I477 PolarHBondContact O-N 3.31Å; K474-Q478 WeakPolarHBondContact O-CG 3.46Å; K474-Q478 PolarHBondContact O-N 3.49Å
475Q97.5Very high96.8Very high127 Ų12754.7 Ų54.759%0.59326%0.26SS*.Hα-helixtrans-62.8-44.2176-172.21754.400111.5I471 A472 I477 Q478 T479I471-Q475 PolarHBondContact O-N 3.39Å; A472-Q475 PolarHBondContact O-N 3.48Å; Q475-I477 VanDerWaalsContact C-N 3.33Å; Q475-I477 PolarHBondContact O-N 2.95Å; Q475-Q478 WeakPolarHBondContact O-CB 3.35Å; Q475-Q478 PolarHBondContact O-N 3.18Å; Q475-Q478 VanDerWaalsContact O-N 3.15Å; Q475-T479 PolarHBondContact O-N 2.92Å; Q475-T479 PolarHBondContact O-OG1 3.44Å; Q475-T479 VanDerWaalsContact O-OG1 3.1Å
476Q97.5Very high96.7Very high65 Ų6555.6 Ų55.630%0.30428%0.28SS..Hα-helixtrans-62.8-37.1177.7-174.464.472.400113.3A472 T473 T479 L480 I678A472-Q476 PolarHBondContact O-N 2.88Å; T473-Q476 PolarHBondContact O-N 3.32Å; Q476-T479 PolarHBondContact O-N 3.02Å; Q476-L480 PolarHBondContact O-N 3.28Å; Q476-I678 HydrophobicContact CB-CG2 4Å; Q476-I678 HydrophobicContact CG-CD1 4.3Å; Q476-I678 HydrophobicContact CG-CG1 4.39Å; Q476-I678 HydrophobicContact CG-CG2 3.66Å
477I97.4Very high96.6Very high0 Ų062.2 Ų62.20%031%0.305CS..Hα-helixtrans-69.4-35.1175.2-74.2165.5000111.4L427 V430 T473 K474 Q475 L480 I481 V675 I678 I679L427-I477 HydrophobicContact CD2-CG2 4.45Å; V430-I477 HydrophobicContact CG2-CD1 3.35Å; T473-I477 HydrophobicContact CG2-CD1 4.06Å; T473-I477 WeakPolarHBondContact O-CG1 3.1Å; T473-I477 PolarHBondContact O-N 3Å; K474-I477 PolarHBondContact O-N 3.31Å; Q475-I477 VanDerWaalsContact C-N 3.33Å; Q475-I477 PolarHBondContact O-N 2.95Å; I477-L480 PolarHBondContact O-N 2.76Å; I477-I481 WeakPolarHBondContact O-CG1 3.24Å; I477-I481 PolarHBondContact O-N 3.15Å; I477-V675 HydrophobicContact CD1-CG1 4.06Å; I477-V675 HydrophobicContact CG2-CG2 4.4Å; I477-I678 HydrophobicContact CD1-CG2 4.48Å; I477-I678 HydrophobicContact CG1-CB 4.44Å; I477-I678 HydrophobicContact CG1-CD1 4.4Å; I477-I678 HydrophobicContact CG1-CG2 3.98Å; I477-I679 HydrophobicContact CD1-CD1 4.2Å; I477-I679 HydrophobicContact CD1-CG1 3.94Å
478Q97.1Very high96.3Very high72 Ų7255.5 Ų55.534%0.33628%0.281SS..Hα-helixtrans-62.9-48.9170-70.1174.73800110.3R423 L427 K474 Q475 L480 I481 D482R423-Q478 HydrophobicContact CG-CG 4.44Å; L427-Q478 HydrophobicContact CD2-CG 4.17Å; K474-Q478 WeakPolarHBondContact O-CG 3.46Å; K474-Q478 PolarHBondContact O-N 3.49Å; Q475-Q478 WeakPolarHBondContact O-CB 3.35Å; Q475-Q478 PolarHBondContact O-N 3.18Å; Q475-Q478 VanDerWaalsContact O-N 3.15Å; Q478-L480 VanDerWaalsContact C-N 3.29Å; Q478-L480 PolarHBondContact O-N 3.47Å; Q478-I481 WeakPolarHBondContact O-CA 3.39Å; Q478-I481 WeakPolarHBondContact O-CB 3.44Å; Q478-I481 PolarHBondContact O-N 3.03Å; Q478-D482 PolarHBondContact O-N 3.29Å; Q478-D482 VanDerWaalsContact O-OD2 3.11Å
479T96.7Very high96.1Very high46 Ų4654.3 Ų54.328%0.28228%0.278SS..Hα-helixtrans-58.7-36.2176.4-52.80000113.1Q475 Q476 I481 D482 F483Q475-T479 PolarHBondContact O-N 2.92Å; Q475-T479 PolarHBondContact O-OG1 3.44Å; Q475-T479 VanDerWaalsContact O-OG1 3.1Å; Q476-T479 PolarHBondContact O-N 3.02Å; T479-I481 VanDerWaalsContact C-N 3.32Å; T479-I481 PolarHBondContact O-N 2.98Å; T479-D482 PolarHBondContact O-N 3.11Å; T479-F483 HydrophobicContact CG2-CD2 4.34Å; T479-F483 HydrophobicContact CG2-CE1 4.17Å; T479-F483 HydrophobicContact CG2-CE2 3.76Å; T479-F483 HydrophobicContact CG2-CZ 3.66Å; T479-F483 VanDerWaalsContact O-CD2 3.3Å; T479-F483 WeakPolarHBondContact O-CD2 3.42Å; T479-F483 VanDerWaalsContact O-CG 3.32Å; T479-F483 WeakPolarHBondContact O-CG 3.25Å; T479-F483 PolarHBondContact O-N 3.34Å
480L96.3Very high95.8Very high14 Ų1457 Ų577%0.07330%0.295CS..Hα-helixtrans-58.5-43.7172.4173.467.2000111.7Q476 I477 Q478 F483 Q484 M674 V675 I678Q476-L480 PolarHBondContact O-N 3.28Å; I477-L480 PolarHBondContact O-N 2.76Å; Q478-L480 VanDerWaalsContact C-N 3.29Å; Q478-L480 PolarHBondContact O-N 3.47Å; L480-F483 PolarHBondContact O-N 2.93Å; L480-Q484 WeakPolarHBondContact O-CG 3.38Å; L480-Q484 PolarHBondContact O-N 2.87Å; L480-M674 HydrophobicContact CD1-CB 4.25Å; L480-M674 HydrophobicContact CD1-CG 4.48Å; L480-M674 HydrophobicContact CD2-CB 3.66Å; L480-V675 HydrophobicContact CD2-CG2 4.09Å; L480-I678 HydrophobicContact CB-CD1 4.21Å; L480-I678 HydrophobicContact CD2-CD1 3.79Å; L480-I678 HydrophobicContact CG-CD1 4.47Å
481I95.9Very high95.5Very high1 Ų161.4 Ų61.41%0.00532%0.32CS..Hα-helixtrans-71.3-39.2178.9-65.2168.9000110.3I419 R423 I477 Q478 T479 F483 Q484 L485I419-I481 HydrophobicContact CG2-CG2 4.07Å; R423-I481 VanDerWaalsContact CA-CD1 3.41Å; R423-I481 HydrophobicContact CB-CD1 3.86Å; R423-I481 HydrophobicContact CG-CD1 3.98Å; I477-I481 WeakPolarHBondContact O-CG1 3.24Å; I477-I481 PolarHBondContact O-N 3.15Å; Q478-I481 WeakPolarHBondContact O-CA 3.39Å; Q478-I481 WeakPolarHBondContact O-CB 3.44Å; Q478-I481 PolarHBondContact O-N 3.03Å; T479-I481 VanDerWaalsContact C-N 3.32Å; T479-I481 PolarHBondContact O-N 2.98Å; I481-F483 VanDerWaalsContact C-N 3.26Å; I481-F483 PolarHBondContact O-N 3.11Å; I481-Q484 WeakPolarHBondContact O-CB 3.41Å; I481-Q484 PolarHBondContact O-N 3.34Å; I481-L485 HydrophobicContact CG2-CD1 4.13Å; I481-L485 WeakPolarHBondContact O-CG 3.46Å; I481-L485 PolarHBondContact O-N 2.7Å
482D96.8Very high95.2Very high66 Ų6659 Ų5935%0.35331%0.306SS..Hα-helixtrans-62.5-34176.1-53.9-28.8000111.2R423 Q478 T479 L485 A486R423-D482 IonicContact CZ-OD1 3.74Å; R423-D482 VanDerWaalsContact CZ-OD1 3.3Å; R423-D482 IonicContact NH1-OD1 2.77Å; R423-D482 PolarHBondContact NH1-OD1 3.3Å; R423-D482 IonicContact NH1-OD2 2.87Å; R423-D482 IonicContact NH2-OD1 2.7Å; R423-D482 PolarHBondContact NH2-OD1 3.12Å; Q478-D482 PolarHBondContact O-N 3.29Å; Q478-D482 VanDerWaalsContact O-OD2 3.11Å; T479-D482 PolarHBondContact O-N 3.11Å; D482-L485 PolarHBondContact O-N 2.84Å; D482-A486 VanDerWaalsContact O-CB 3.31Å; D482-A486 WeakPolarHBondContact O-CB 3.48Å; D482-A486 PolarHBondContact O-N 2.85Å
483F96.1Very high94.9Very high134 Ų13466.1 Ų66.159%0.58833%0.332SS*.Hα-helixtrans-65.4-41.7169.2-66-39000113.1T479 L480 I481 L485 A486T479-F483 HydrophobicContact CG2-CD2 4.34Å; T479-F483 HydrophobicContact CG2-CE1 4.17Å; T479-F483 HydrophobicContact CG2-CE2 3.76Å; T479-F483 HydrophobicContact CG2-CZ 3.66Å; T479-F483 VanDerWaalsContact O-CD2 3.3Å; T479-F483 WeakPolarHBondContact O-CD2 3.42Å; T479-F483 VanDerWaalsContact O-CG 3.32Å; T479-F483 WeakPolarHBondContact O-CG 3.25Å; T479-F483 PolarHBondContact O-N 3.34Å; L480-F483 PolarHBondContact O-N 2.93Å; I481-F483 VanDerWaalsContact C-N 3.26Å; I481-F483 PolarHBondContact O-N 3.11Å; F483-L485 PolarHBondContact O-N 2.81Å; F483-A486 PolarHBondContact O-N 2.99Å
484Q94.1Very high94.6Very high34 Ų3470 Ų7016%0.15935%0.352CS..Hα-helixtrans-65.2-30175.9-62.6-64.4-3500112.1I419 L480 I481 V667I419-Q484 HydrophobicContact CD1-CB 4.34Å; I419-Q484 HydrophobicContact CG2-CB 3.9Å; L480-Q484 WeakPolarHBondContact O-CG 3.38Å; L480-Q484 PolarHBondContact O-N 2.87Å; I481-Q484 WeakPolarHBondContact O-CB 3.41Å; I481-Q484 PolarHBondContact O-N 3.34Å; Q484-V667 HydrophobicContact CB-CG1 4.37Å; Q484-V667 HydrophobicContact CG-CG1 4.16Å
485L95Very high94.3Very high28 Ų2868.9 Ų68.915%0.14735%0.347CS..Hα-helixtrans-78.2-36.8172.9-68.1168.7000112.2R416 I419 E420 I481 D482 F483 Y487R416-L485 HydrophobicContact CB-CD2 4.05Å; R416-L485 HydrophobicContact CG-CD2 4.21Å; R416-L485 PolarHBondContact NH1-O 3.01Å; R416-L485 WeakPolarHBondContact O-CD2 3.45Å; I419-L485 HydrophobicContact CB-CD2 3.8Å; I419-L485 HydrophobicContact CB-CG 4.47Å; I419-L485 HydrophobicContact CG2-CD2 3.72Å; I419-L485 HydrophobicContact CG2-CG 3.83Å; E420-L485 WeakPolarHBondContact OE2-CD1 3.43Å; I481-L485 HydrophobicContact CG2-CD1 4.13Å; I481-L485 WeakPolarHBondContact O-CG 3.46Å; I481-L485 PolarHBondContact O-N 2.7Å; D482-L485 PolarHBondContact O-N 2.84Å; F483-L485 PolarHBondContact O-N 2.81Å; L485-Y487 VanDerWaalsContact C-N 3.34Å; L485-Y487 PolarHBondContact O-N 2.8Å
486A95Very high93.7Very high75 Ų7564.1 Ų64.162%0.6233%0.326SS*.Hα-helixtrans-62.8-38.1-173.900000113.2D482 F483D482-A486 VanDerWaalsContact O-CB 3.31Å; D482-A486 WeakPolarHBondContact O-CB 3.48Å; D482-A486 PolarHBondContact O-N 2.85Å; F483-A486 PolarHBondContact O-N 2.99Å
487Y93.2Very high93.1Very high143 Ų14362 Ų6256%0.56132%0.322SS*.  trans-143.5126.1-178.1178.5-107.5000112.5L485 N489L485-Y487 VanDerWaalsContact C-N 3.34Å; L485-Y487 PolarHBondContact O-N 2.8Å; Y487-N489 HydrophobicContact CD1-CB 4.2Å; Y487-N489 HydrophobicContact CE1-CB 3.72Å
488M91.4Very high92.4Very high26 Ų2666.5 Ų66.513%0.12834%0.341CS..  trans-92.9110.6172.6-63.1-169.1-49.400110.8F411 D412 V415 T490 Y663F411-M488 HydrophobicContact CD1-CE 3.65Å; F411-M488 HydrophobicContact CD1-SD 4.3Å; F411-M488 HydrophobicContact CE1-CE 3.49Å; F411-M488 VanDerWaalsContact CE1-CE 3.49Å; F411-M488 HydrophobicContact CE1-SD 3.83Å; F411-M488 HydrophobicContact CZ-SD 4.42Å; D412-M488 HydrophobicContact CB-CE 3.51Å; D412-M488 HydrophobicContact CB-SD 4.34Å; D412-M488 WeakPolarHBondContact OD1-CE 2.92Å; V415-M488 HydrophobicContact CB-SD 3.77Å; V415-M488 HydrophobicContact CG1-CG 4.38Å; V415-M488 HydrophobicContact CG1-SD 3.63Å; V415-M488 HydrophobicContact CG2-SD 4.34Å; M488-T490 PolarHBondContact O-N 2.88Å; M488-Y663 WeakPolarHBondContact CA-OH 3.41Å; M488-Y663 HydrophobicContact CB-CE2 4.45Å; M488-Y663 HydrophobicContact CG-CE1 4.41Å
489N92Very high91.7Very high56 Ų5670.1 Ų70.130%0.29936%0.358SS..  trans-82.684.8-178.9-173.611.4000111.9Y487 N491 H492 Y663Y487-N489 HydrophobicContact CD1-CB 4.2Å; Y487-N489 HydrophobicContact CE1-CB 3.72Å; N489-N491 PolarHBondContact O-N 3.28Å; N489-N491 WeakPolarHBondContact OD1-CB 3.36Å; N489-N491 PolarHBondContact OD1-N 3.07Å; N489-N491 VanDerWaalsContact OD1-N 3.12Å; N489-H492 WeakPolarHBondContact O-CB 3.45Å; N489-H492 PolarHBondContact O-N 2.78Å; N489-Y663 PolarHBondContact N-OH 2.83Å; N489-Y663 VanDerWaalsContact N-OH 3.08Å
490T90.8Very high91Very high69 Ų6971.6 Ų71.642%0.42337%0.365SS..THydrogen-bonded Turntrans-70.6-4.3174.352.50000114.1F411 M488 F495F411-T490 HydrophobicContact CE1-CG2 4.1Å; M488-T490 PolarHBondContact O-N 2.88Å; T490-F495 HydrophobicContact CG2-CE1 3.97Å; T490-F495 HydrophobicContact CG2-CZ 4.35Å; T490-F495 WeakPolarHBondContact O-CD1 3.36Å
491N91.6Very high90.2Very high131 Ų13171 Ų7170%0.70136%0.361SS*.THydrogen-bonded Turntrans-94.38.2172.4-60-47000113N489N489-N491 PolarHBondContact O-N 3.28Å; N489-N491 WeakPolarHBondContact OD1-CB 3.36Å; N489-N491 PolarHBondContact OD1-N 3.07Å; N489-N491 VanDerWaalsContact OD1-N 3.12Å
492H91.6Very high89.5Confident62 Ų6273.7 Ų73.729%0.28737%0.374SS..  trans-68.1135.8179.7-173.3-72.3000111.8N489 D494 F495 I666N489-H492 WeakPolarHBondContact O-CB 3.45Å; N489-H492 PolarHBondContact O-N 2.78Å; H492-D494 IonicContact CE1-OD2 3.99Å; H492-D494 PolarHBondContact ND1-N 3.43Å; H492-D494 VanDerWaalsContact ND1-N 3.11Å; H492-D494 PolarHBondContact O-N 3.27Å; H492-F495 HydrophobicContact CB-CB 4.3Å; H492-F495 WeakPolarHBondContact O-CB 3.35Å; H492-F495 PolarHBondContact O-N 3.05Å; H492-I666 HydrophobicContact CB-CD1 4.32Å
493E91.5Very high88.7Confident194 Ų19475.6 Ų75.691%0.90738%0.381SS*.THydrogen-bonded Turntrans-57.9-43.1-173.8-62.1178.7-178.600113.8F495E493-F495 PolarHBondContact O-N 3.23Å
494D90.1Very high87.8Confident81 Ų8175 Ų7543%0.43338%0.375SS..THydrogen-bonded Turntrans-69.8-4.9174.8-67.2-25.8000114.2H492 I666 K669H492-D494 IonicContact CE1-OD2 3.99Å; H492-D494 PolarHBondContact ND1-N 3.43Å; H492-D494 VanDerWaalsContact ND1-N 3.11Å; H492-D494 PolarHBondContact O-N 3.27Å; D494-I666 HydrophobicContact CB-CD1 4.06Å; D494-I666 HydrophobicContact CB-CG1 3.87Å; D494-K669 IonicContact OD2-NZ 2.78Å; D494-K669 PolarHBondContact OD2-NZ 2.89Å
495F91.6Very high86.8Confident22 Ų2273.5 Ų73.510%0.09637%0.368CS..  trans-86.1123.3-177.9-175.2-118.3000110.6F411 T490 H492 E493 G497 L659 Y663 I666F411-F495 HydrophobicContact CE2-CE2 4.28Å; F411-F495 HydrophobicContact CE2-CZ 4.25Å; F411-F495 HydrophobicContact CZ-CE2 4.06Å; F411-F495 AromaticContact CZ-CZ 3.87Å; F411-F495 HydrophobicContact CZ-CZ 3.87Å; T490-F495 HydrophobicContact CG2-CE1 3.97Å; T490-F495 HydrophobicContact CG2-CZ 4.35Å; T490-F495 WeakPolarHBondContact O-CD1 3.36Å; H492-F495 HydrophobicContact CB-CB 4.3Å; H492-F495 WeakPolarHBondContact O-CB 3.35Å; H492-F495 PolarHBondContact O-N 3.05Å; E493-F495 PolarHBondContact O-N 3.23Å; F495-G497 PolarHBondContact O-N 2.92Å; F495-L659 HydrophobicContact CE1-CD2 4.18Å; F495-L659 HydrophobicContact CE2-CB 4.43Å; F495-L659 HydrophobicContact CE2-CD2 4.19Å; F495-L659 HydrophobicContact CZ-CB 4.25Å; F495-L659 HydrophobicContact CZ-CD2 3.6Å; F495-L659 HydrophobicContact CZ-CG 4.49Å; F495-Y663 HydrophobicContact CD2-CD2 4.01Å; F495-Y663 HydrophobicContact CE2-CD2 4.06Å; F495-Y663 HydrophobicContact CE2-CG 4.48Å; F495-I666 HydrophobicContact CB-CD1 3.77Å; F495-I666 HydrophobicContact CD2-CD1 4.34Å
496I86.7Confident85.6Confident27 Ų2773.5 Ų73.514%0.13837%0.368CS..  trans-59.8-25.5-174.263.4178.2000113.8N500 A501 N658 L659 S662I496-N500 HydrophobicContact CB-CB 4.12Å; I496-N500 VanDerWaalsContact O-CB 3.3Å; I496-N500 WeakPolarHBondContact O-CB 3.36Å; I496-N500 PolarHBondContact O-ND2 3.46Å; I496-A501 HydrophobicContact CD1-CB 3.85Å; I496-A501 HydrophobicContact CG1-CB 4.39Å; I496-N658 HydrophobicContact CD1-CB 4.21Å; I496-N658 WeakPolarHBondContact CD1-O 3.24Å; I496-L659 HydrophobicContact CG1-CD2 4.28Å; I496-S662 PolarHBondContact N-OG 3.06Å; I496-S662 VanDerWaalsContact N-OG 3.12Å
497G84.2Confident84.2Confident21 Ų2175 Ų7522%0.21637%0.366CS..Hα-helixtrans70.5166.3-175.800000113.8F495 Q499 N500 A501F495-G497 PolarHBondContact O-N 2.92Å; G497-Q499 PolarHBondContact O-N 2.75Å; G497-N500 PolarHBondContact O-N 2.74Å; G497-A501 PolarHBondContact O-N 2.89Å; G497-A501 VanDerWaalsContact O-N 3.14Å
498F83.5Confident82.5Confident94 Ų9469.9 Ų69.941%0.41235%0.35SS..Hα-helixtrans-61.8-41.8-172.1-168.7-87.5000113.1N500 A501 E502 I655 L659F498-N500 PolarHBondContact O-N 3.1Å; F498-A501 PolarHBondContact O-N 3.48Å; F498-E502 HydrophobicContact CD1-CB 4.34Å; F498-E502 HydrophobicContact CE1-CB 4.15Å; F498-E502 WeakPolarHBondContact O-CB 3.24Å; F498-E502 PolarHBondContact O-N 2.79Å; F498-I655 HydrophobicContact CD2-CG2 4.2Å; F498-I655 HydrophobicContact CE2-CG2 3.74Å; F498-I655 HydrophobicContact CZ-CD1 4.48Å; F498-I655 HydrophobicContact CZ-CG2 4.1Å; F498-L659 HydrophobicContact CD2-CD1 4.12Å
499Q81.6Confident80.5Confident148 Ų14871.6 Ų71.669%0.69237%0.365SS*.Hα-helixtrans-62.3-42.1-177.6-68.5-177.6-1.400112.7G497 E502 Q503G497-Q499 PolarHBondContact O-N 2.75Å; Q499-E502 PolarHBondContact O-N 3.37Å; Q499-Q503 WeakPolarHBondContact O-CB 3.43Å; Q499-Q503 VanDerWaalsContact O-CG 3.26Å; Q499-Q503 WeakPolarHBondContact O-CG 3.26Å; Q499-Q503 PolarHBondContact O-N 3.05Å
500N81.6Confident78.2Confident78 Ų7876.6 Ų76.642%0.41738%0.384SS..Hα-helixtrans-75.6-31178.2-63.8-47.2000112I496 G497 F498 R504I496-N500 HydrophobicContact CB-CB 4.12Å; I496-N500 VanDerWaalsContact O-CB 3.3Å; I496-N500 WeakPolarHBondContact O-CB 3.36Å; I496-N500 PolarHBondContact O-ND2 3.46Å; G497-N500 PolarHBondContact O-N 2.74Å; F498-N500 PolarHBondContact O-N 3.1Å; N500-R504 WeakPolarHBondContact O-CB 3.49Å; N500-R504 VanDerWaalsContact O-CG 3.27Å; N500-R504 WeakPolarHBondContact O-CG 3.4Å; N500-R504 PolarHBondContact O-N 3.22Å
501A79.7Confident75.5Confident0 Ų075 Ų750%038%0.376CS..Hα-helixtrans-67.4-40.6171.600000111.9I496 G497 F498 R504 A505 I655 N658 L659I496-A501 HydrophobicContact CD1-CB 3.85Å; I496-A501 HydrophobicContact CG1-CB 4.39Å; G497-A501 PolarHBondContact O-N 2.89Å; G497-A501 VanDerWaalsContact O-N 3.14Å; F498-A501 PolarHBondContact O-N 3.48Å; A501-R504 PolarHBondContact O-N 2.86Å; A501-A505 WeakPolarHBondContact O-CB 3.22Å; A501-A505 PolarHBondContact O-N 3.49Å; A501-I655 HydrophobicContact CB-CG2 4.26Å; A501-N658 HydrophobicContact CB-CB 4.1Å; A501-L659 HydrophobicContact CB-CD1 4.4Å; A501-L659 HydrophobicContact CB-CD2 3.54Å; A501-L659 HydrophobicContact CB-CG 3.63Å
502E81.5Confident72.8Confident59 Ų5977.9 Ų77.928%0.27638%0.382SS..Hα-helixtrans-68.8-38.1173.2-174.7176.2-159.400112F498 Q499 A505 N506 R651 I655F498-E502 HydrophobicContact CD1-CB 4.34Å; F498-E502 HydrophobicContact CE1-CB 4.15Å; F498-E502 WeakPolarHBondContact O-CB 3.24Å; F498-E502 PolarHBondContact O-N 2.79Å; Q499-E502 PolarHBondContact O-N 3.37Å; E502-A505 PolarHBondContact O-N 3.37Å; E502-N506 WeakPolarHBondContact O-CB 3.21Å; E502-N506 PolarHBondContact O-N 2.67Å; E502-N506 PolarHBondContact O-ND2 3.05Å; E502-N506 PolarHBondContact O-OD1 3.24Å; E502-R651 IonicContact OE1-CZ 2.75Å; E502-R651 IonicContact OE1-NH1 2.67Å; E502-R651 IonicContact OE1-NH2 3.55Å; E502-R651 PolarHBondContact OE1-NH2 3.18Å; E502-I655 HydrophobicContact CB-CD1 4.18Å; E502-I655 HydrophobicContact CB-CG1 4.45Å; E502-I655 HydrophobicContact CG-CD1 4.04Å
503Q79.1Confident70.5Confident105 Ų10580.5 Ų80.549%0.49140%0.397SS..Hα-helixtrans-61.6-47170.8-77.4173.816.700111.1Q499 A505 N506 D507Q499-Q503 WeakPolarHBondContact O-CB 3.43Å; Q499-Q503 VanDerWaalsContact O-CG 3.26Å; Q499-Q503 WeakPolarHBondContact O-CG 3.26Å; Q499-Q503 PolarHBondContact O-N 3.05Å; Q503-A505 PolarHBondContact O-N 3.32Å; Q503-N506 CarbonylContact O-C 3.57Å; Q503-N506 WeakPolarHBondContact O-CA 3.37Å; Q503-N506 WeakPolarHBondContact O-CB 3.46Å; Q503-N506 PolarHBondContact O-N 3.33Å; Q503-D507 VanDerWaalsContact O-CG 3.22Å; Q503-D507 PolarHBondContact O-N 3.36Å
504R77.7Confident68.4Low123 Ų12371.3 Ų71.346%0.46436%0.355SS..Hα-helixtrans-61.5-41.9176-73.3173.6-174.9-175.14.2113N500 A501 N506 D507 S508N500-R504 WeakPolarHBondContact O-CB 3.49Å; N500-R504 VanDerWaalsContact O-CG 3.27Å; N500-R504 WeakPolarHBondContact O-CG 3.4Å; N500-R504 PolarHBondContact O-N 3.22Å; A501-R504 PolarHBondContact O-N 2.86Å; R504-N506 VanDerWaalsContact C-N 3.28Å; R504-N506 PolarHBondContact O-N 3.19Å; R504-D507 PolarHBondContact O-N 2.99Å; R504-S508 PolarHBondContact O-N 3.04Å; R504-S508 VanDerWaalsContact O-N 3.09Å; R504-S508 PolarHBondContact O-OG 3.08Å; R504-S508 VanDerWaalsContact O-OG 3.13Å
505A74.3Confident66.8Low2 Ų273.7 Ų73.72%0.01737%0.368CS..Hα-helixtrans-69.2-25.6173.700000113.1A501 E502 Q503 S508 S509 E654 I655A501-A505 WeakPolarHBondContact O-CB 3.22Å; A501-A505 PolarHBondContact O-N 3.49Å; E502-A505 PolarHBondContact O-N 3.37Å; Q503-A505 PolarHBondContact O-N 3.32Å; A505-S508 VanDerWaalsContact CA-OG 3.31Å; A505-S508 WeakPolarHBondContact CA-OG 3.28Å; A505-S508 PolarHBondContact O-OG 3.27Å; A505-S509 PolarHBondContact O-N 3.09Å; A505-S509 PolarHBondContact O-OG 3.06Å; A505-E654 HydrophobicContact CB-CB 4.43Å; A505-E654 HydrophobicContact CB-CG 4.38Å; A505-I655 HydrophobicContact CB-CD1 4.4Å; A505-I655 HydrophobicContact CB-CG1 3.45Å; A505-I655 VanDerWaalsContact CB-CG1 3.45Å
506N69.7Low65.6Low28 Ų2876.5 Ų76.515%0.1538%0.381CS..Hα-helixtrans-79.1-33.7171.5-75-17.6000111.9E502 Q503 R504 S508 S509 K510 R651E502-N506 WeakPolarHBondContact O-CB 3.21Å; E502-N506 PolarHBondContact O-N 2.67Å; E502-N506 PolarHBondContact O-ND2 3.05Å; E502-N506 PolarHBondContact O-OD1 3.24Å; Q503-N506 CarbonylContact O-C 3.57Å; Q503-N506 WeakPolarHBondContact O-CA 3.37Å; Q503-N506 WeakPolarHBondContact O-CB 3.46Å; Q503-N506 PolarHBondContact O-N 3.33Å; R504-N506 VanDerWaalsContact C-N 3.28Å; R504-N506 PolarHBondContact O-N 3.19Å; N506-S508 VanDerWaalsContact C-N 3.32Å; N506-S509 WeakPolarHBondContact CA-OG 3.27Å; N506-S509 CarbonylContact O-C 3.56Å; N506-S509 PolarHBondContact O-N 3.4Å; N506-S509 VanDerWaalsContact O-N 3.15Å; N506-K510 WeakPolarHBondContact O-CA 3.42Å; N506-K510 WeakPolarHBondContact O-CB 3.37Å; N506-K510 WeakPolarHBondContact O-CG 3.4Å; N506-K510 PolarHBondContact O-N 2.88Å; N506-R651 PolarHBondContact ND2-NH2 3.31Å; N506-R651 PolarHBondContact OD1-NE 3.05Å; N506-R651 PolarHBondContact OD1-NH2 3.34Å
507D64.1Low65.4Low107 Ų10778.4 Ų78.457%0.57239%0.394SS*.Hα-helixtrans-71.4-34.2177.2-67.2-27.9000109.9Q503 R504 S511Q503-D507 VanDerWaalsContact O-CG 3.22Å; Q503-D507 PolarHBondContact O-N 3.36Å; R504-D507 PolarHBondContact O-N 2.99Å; D507-S511 WeakPolarHBondContact O-CB 3.41Å; D507-S511 PolarHBondContact O-N 3.01Å; D507-S511 PolarHBondContact O-OG 3.44Å
508S57.4Low65.4Low34 Ų3479 Ų7924%0.23839%0.392CS..Hα-helixtrans-65.7-34.9166.149.30000113R504 A505 N506 S511 Q516R504-S508 PolarHBondContact O-N 3.04Å; R504-S508 VanDerWaalsContact O-N 3.09Å; R504-S508 PolarHBondContact O-OG 3.08Å; R504-S508 VanDerWaalsContact O-OG 3.13Å; A505-S508 VanDerWaalsContact CA-OG 3.31Å; A505-S508 WeakPolarHBondContact CA-OG 3.28Å; A505-S508 PolarHBondContact O-OG 3.27Å; N506-S508 VanDerWaalsContact C-N 3.32Å; S508-S511 PolarHBondContact O-OG 2.72Å; S508-Q516 PolarHBondContact O-NE2 2.88Å
509S51.1Low65.7Low63 Ų6375.9 Ų75.944%0.44138%0.381SS..Hα-helixtrans-96.5-7.7179.8530000116.8A505 N506A505-S509 PolarHBondContact O-N 3.09Å; A505-S509 PolarHBondContact O-OG 3.06Å; N506-S509 WeakPolarHBondContact CA-OG 3.27Å; N506-S509 CarbonylContact O-C 3.56Å; N506-S509 PolarHBondContact O-N 3.4Å; N506-S509 VanDerWaalsContact O-N 3.15Å
510K42.4Very low66.3Low160 Ų16073.1 Ų73.170%0.69637%0.367SS*.Hα-helixtrans-124.9-6.8179.6-67.7-174.1172.8-1800114.2N506 K512N506-K510 WeakPolarHBondContact O-CA 3.42Å; N506-K510 WeakPolarHBondContact O-CB 3.37Å; N506-K510 WeakPolarHBondContact O-CG 3.4Å; N506-K510 PolarHBondContact O-N 2.88Å; K510-K512 PolarHBondContact O-N 3.49Å; K510-K512 VanDerWaalsContact O-N 3.1Å
511S34.5Very low66.8Low35 Ų3570 Ų7025%0.24535%0.353CS..SBendtrans-51.3123.3146.253.70000105.8D507 S508 L513D507-S511 WeakPolarHBondContact O-CB 3.41Å; D507-S511 PolarHBondContact O-N 3.01Å; D507-S511 PolarHBondContact O-OG 3.44Å; S508-S511 PolarHBondContact O-OG 2.72Å; S511-L513 WeakPolarHBondContact O-CA 3.41Å; S511-L513 PolarHBondContact O-N 3.05Å
512K35.8Very low67.4Low193 Ų19374.7 Ų74.784%0.83937%0.371SS*.  trans-44.4119.3156.7-87-175.8170.4-173.80104.2K510 G514 N515K510-K512 PolarHBondContact O-N 3.49Å; K510-K512 VanDerWaalsContact O-N 3.1Å; K512-G514 PolarHBondContact O-N 3.37Å; K512-N515 PolarHBondContact O-N 2.99Å
513L43.5Very low67.8Low116 Ų11671.9 Ų71.961%0.60736%0.358SS*.G310 helixtrans-42.6-43.9-154.1-122.173.9000111.1S511 N515 Q516 T544S511-L513 WeakPolarHBondContact O-CA 3.41Å; S511-L513 PolarHBondContact O-N 3.05Å; L513-N515 VanDerWaalsContact C-N 3.26Å; L513-N515 PolarHBondContact O-N 3.06Å; L513-Q516 PolarHBondContact O-N 2.78Å; L513-Q516 VanDerWaalsContact O-N 3.09Å; L513-T544 WeakPolarHBondContact O-CB 3.5Å; L513-T544 PolarHBondContact O-OG1 3.44Å
514G47Very low68.3Low2 Ų267.6 Ų67.62%0.02134%0.338CS..G310 helixtrans-31.3-16.3174.400000124.7K512 T543 T544 D545K512-G514 PolarHBondContact O-N 3.37Å; G514-T543 WeakPolarHBondContact O-CB 3.39Å; G514-T543 PolarHBondContact O-OG1 3.16Å; G514-T544 WeakPolarHBondContact CA-OG1 3.31Å; G514-T544 PolarHBondContact N-OG1 2.68Å; G514-T544 VanDerWaalsContact N-OG1 3.14Å; G514-T544 PolarHBondContact O-OG1 3.38Å; G514-D545 VanDerWaalsContact CA-CB 3.44Å; G514-D545 WeakPolarHBondContact CA-OD1 3.49Å; G514-D545 VanDerWaalsContact CA-OD2 3.24Å; G514-D545 WeakPolarHBondContact CA-OD2 3.18Å; G514-D545 PolarHBondContact N-OD1 3.02Å; G514-D545 PolarHBondContact O-N 3.4Å
515N56.2Low68.7Low131 Ų13161.9 Ų61.970%0.70132%0.317SS*.G310 helixtrans-110.2-0.7176-83.71000114.8K512 L513 V517 T544K512-N515 PolarHBondContact O-N 2.99Å; L513-N515 VanDerWaalsContact C-N 3.26Å; L513-N515 PolarHBondContact O-N 3.06Å; N515-V517 PolarHBondContact O-N 3.46Å; N515-T544 PolarHBondContact N-OG1 2.96Å
516Q67.1Low69Low80 Ų8063.9 Ų63.937%0.37433%0.327SS..SBendtrans-66.1125.9167.4-84.1-15835.100110.7S508 L513 I518 T543 T544S508-Q516 PolarHBondContact O-NE2 2.88Å; L513-Q516 PolarHBondContact O-N 2.78Å; L513-Q516 VanDerWaalsContact O-N 3.09Å; Q516-I518 PolarHBondContact O-N 3.44Å; Q516-T543 CarbonylContact O-C 3.58Å; Q516-T543 WeakPolarHBondContact O-CA 3.26Å; Q516-T543 VanDerWaalsContact O-CB 3.3Å; Q516-T543 WeakPolarHBondContact O-CB 3.35Å; Q516-T544 HydrophobicContact CB-CG2 4.27Å; Q516-T544 PolarHBondContact N-OG1 3.41Å; Q516-T544 PolarHBondContact O-N 3.37Å; Q516-T544 VanDerWaalsContact O-N 3.13Å; Q516-T544 PolarHBondContact O-OG1 3.01Å
517V81.2Confident69.1Low67 Ų6762.9 Ų62.941%0.40632%0.321SS..EExtended strand (participates in β ladder)trans-77.7114173.3178.30000109.7N515 C519 K520 V541 L542 T543N515-V517 PolarHBondContact O-N 3.46Å; V517-C519 WeakPolarHBondContact CG1-O 3.18Å; V517-K520 HydrophobicContact CG1-CD 4.25Å; V517-K520 HydrophobicContact CG1-CG 3.52Å; V517-V541 HydrophobicContact CG1-CG1 3.98Å; V517-V541 HydrophobicContact CG2-CG1 3.86Å; V517-L542 CarbonylContact C-O 3.59Å; V517-L542 WeakPolarHBondContact CA-O 3.08Å; V517-T543 HydrophobicContact CG2-CG2 4.17Å
518I84.7Confident68.8Low34 Ų3464 Ų6417%0.17434%0.335CS..EExtended strand (participates in β ladder)trans-81.9-36.4179.8-64172.4000111.3Q516 L542 T544 A617 R620 A621Q516-I518 PolarHBondContact O-N 3.44Å; I518-L542 HydrophobicContact CB-CD2 4.13Å; I518-L542 HydrophobicContact CB-CG 4.29Å; I518-L542 HydrophobicContact CG2-CD2 4.13Å; I518-L542 PolarHBondContact N-O 2.95Å; I518-T544 HydrophobicContact CD1-CG2 3.79Å; I518-T544 HydrophobicContact CG1-CG2 4.15Å; I518-A617 HydrophobicContact CG2-CB 3.92Å; I518-R620 HydrophobicContact CG2-CB 4.06Å; I518-A621 HydrophobicContact CD1-CB 3.44Å; I518-A621 VanDerWaalsContact CD1-CB 3.44Å
519C90.4Very high68.9Low28 Ų2866.6 Ų66.619%0.18935%0.353CS..EExtended strand (participates in β ladder)trans-158.9159.9169620000111.3V517 L542 W614 A617V517-C519 WeakPolarHBondContact CG1-O 3.18Å; C519-L542 PolarHBondContact N-O 3.03Å; C519-L542 PolarHBondContact O-N 2.99Å; C519-W614 VanDerWaalsContact SG-CE3 3.54Å; C519-W614 WeakPolarHBondContact SG-CZ3 3.24Å; C519-A617 HydrophobicContact CB-CB 4.2Å; C519-A617 WeakPolarHBondContact SG-CB 3.23Å
520K93.2Very high69Low91 Ų9164.1 Ų64.140%0.39633%0.334SS..EExtended strand (participates in β ladder)trans-129.2154.6165.9-54.9-168.2170.6-168.30109.3V517 W539 F540 V541 E555V517-K520 HydrophobicContact CG1-CD 4.25Å; V517-K520 HydrophobicContact CG1-CG 3.52Å; K520-W539 HydrophobicContact CB-CH2 4.23Å; K520-W539 HydrophobicContact CB-CZ2 3.56Å; K520-W539 HydrophobicContact CD-CZ2 4.17Å; K520-F540 CarbonylContact C-O 3.55Å; K520-F540 VanDerWaalsContact CA-O 3.26Å; K520-F540 WeakPolarHBondContact CA-O 3.48Å; K520-V541 HydrophobicContact CD-CG1 4.45Å; K520-V541 HydrophobicContact CD-CG2 3.93Å; K520-V541 HydrophobicContact CG-CB 4.44Å; K520-V541 HydrophobicContact CG-CG1 4.21Å; K520-V541 HydrophobicContact CG-CG2 4Å; K520-E555 VanDerWaalsContact CD-OE1 3.31Å; K520-E555 WeakPolarHBondContact CD-OE1 3.33Å; K520-E555 WeakPolarHBondContact CE-OE1 3.34Å; K520-E555 IonicContact NZ-OE1 2.99Å; K520-E555 PolarHBondContact NZ-OE1 2.72Å; K520-E555 IonicContact NZ-OE2 3.04Å; K520-E555 PolarHBondContact NZ-OE2 3.08Å
521G91.8Very high69.5Low11 Ų1158.8 Ų58.811%0.11331%0.313CS..EExtended strand (participates in β ladder)trans167.3169.2174.200000113.9W539 F540G521-W539 VanDerWaalsContact C-CE3 3.43Å; G521-W539 VanDerWaalsContact CA-CZ3 3.46Å; G521-F540 PolarHBondContact N-O 2.81Å; G521-F540 PolarHBondContact O-N 3.13Å
522W92.4Very high70.3Confident99 Ų9969.8 Ų69.838%0.37535%0.349SS..EExtended strand (participates in β ladder)trans-74.9129.6172.7-69.9100.6000110.9Y537 W539 D553W522-Y537 HydrophobicContact CB-CD1 3.93Å; W522-Y537 HydrophobicContact CB-CE1 4.1Å; W522-Y537 HydrophobicContact CD2-CD1 4.35Å; W522-Y537 AromaticContact CE3-CD1 3.97Å; W522-Y537 HydrophobicContact CE3-CD1 3.97Å; W522-Y537 HydrophobicContact CG-CD1 4.38Å; W522-W539 AromaticContact CD1-CE3 3.61Å; W522-W539 AromaticContact CD1-CZ3 3.55Å; W522-W539 AromaticContact CD2-CE3 3.96Å; W522-W539 HydrophobicContact CD2-CE3 3.96Å; W522-W539 AromaticContact CE2-CE3 3.8Å; W522-W539 HydrophobicContact CE3-CB 4.47Å; W522-W539 AromaticContact CG-CE3 3.86Å; W522-W539 HydrophobicContact CG-CE3 3.86Å; W522-W539 HydrophobicContact CG-CZ3 4.2Å; W522-W539 HydrophobicContact CZ3-CB 4.45Å; W522-W539 AromaticContact NE1-CE3 3.53Å; W522-W539 AromaticContact NE1-CZ3 3.62Å; W522-D553 HydrophobicContact CZ2-CB 4.17Å
523L91.1Very high71.1Confident1 Ų164.8 Ų64.81%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-132151.9165.4-69.4172.1000110C538 F540 F583 L603 S604 A605 W614L523-C538 PolarHBondContact N-O 2.93Å; L523-C538 VanDerWaalsContact N-O 3.1Å; L523-C538 PolarHBondContact O-N 3.4Å; L523-F540 HydrophobicContact CB-CD2 3.57Å; L523-F540 HydrophobicContact CB-CE2 3.72Å; L523-F540 HydrophobicContact CB-CG 4.29Å; L523-F540 HydrophobicContact CD1-CB 4.32Å; L523-F540 HydrophobicContact CD1-CD1 4.49Å; L523-F540 HydrophobicContact CD1-CD2 4.21Å; L523-F540 HydrophobicContact CD1-CG 4.1Å; L523-F540 HydrophobicContact CG-CD2 4.28Å; L523-F583 HydrophobicContact CD1-CE1 4.26Å; L523-F583 HydrophobicContact CD1-CZ 3.82Å; L523-F583 HydrophobicContact CD2-CE1 4.16Å; L523-L603 HydrophobicContact CD1-CB 4.44Å; L523-L603 HydrophobicContact CD1-CD1 4.23Å; L523-S604 WeakPolarHBondContact CD2-O 3.28Å; L523-A605 HydrophobicContact CD2-CB 3.92Å; L523-W614 HydrophobicContact CD1-CD2 3.67Å; L523-W614 HydrophobicContact CD1-CE3 3.85Å; L523-W614 HydrophobicContact CD1-CG 4.19Å; L523-W614 HydrophobicContact CD1-CH2 4.12Å; L523-W614 HydrophobicContact CD1-CZ2 3.93Å; L523-W614 HydrophobicContact CD1-CZ3 4.06Å; L523-W614 HydrophobicContact CD2-CD2 4.33Å; L523-W614 HydrophobicContact CD2-CG 4.13Å; L523-W614 HydrophobicContact CG-CD2 4.18Å; L523-W614 HydrophobicContact CG-CZ2 4.01Å
524N88.9Confident71.6Confident14 Ų1460.7 Ų60.78%0.07534%0.338CS..EExtended strand (participates in β ladder)trans-104.3115.1180175.468.9000110R536 Y537 S604N524-R536 WeakPolarHBondContact CA-O 3.34Å; N524-R536 WeakPolarHBondContact OD1-CB 3.22Å; N524-Y537 HydrophobicContact CB-CD2 3.85Å; N524-Y537 HydrophobicContact CB-CE2 3.75Å; N524-S604 WeakPolarHBondContact CB-OG 3.41Å; N524-S604 PolarHBondContact N-O 3.1Å; N524-S604 PolarHBondContact ND2-OG 3.44Å; N524-S604 PolarHBondContact O-N 2.84Å; N524-S604 PolarHBondContact O-OG 2.87Å
525L86.1Confident72.1Confident3 Ų364.2 Ų64.22%0.01636%0.362CS..EExtended strand (participates in β ladder)trans-86119.8-173.8-17859.6000110.6L530 R536 W549 L601 L603L525-L530 HydrophobicContact CD1-CD1 4.03Å; L525-L530 HydrophobicContact CD2-CD1 3.67Å; L525-L530 HydrophobicContact CD2-CD2 3.5Å; L525-L530 VanDerWaalsContact CD2-CD2 3.5Å; L525-L530 HydrophobicContact CD2-CG 4.05Å; L525-L530 HydrophobicContact CG-CD1 3.9Å; L525-L530 HydrophobicContact CG-CD2 4.5Å; L525-R536 PolarHBondContact N-O 3.06Å; L525-W549 HydrophobicContact CD2-CZ2 4.43Å; L525-L601 HydrophobicContact CD1-CD1 3.58Å; L525-L601 HydrophobicContact CD1-CG 3.91Å; L525-L603 HydrophobicContact CB-CD2 4.41Å; L525-L603 HydrophobicContact CD1-CD2 3.65Å
526I80.7Confident73Confident44 Ų4465 Ų6523%0.22636%0.356CS..  trans-90.9-34.6-165.7-72.5163.8000113.5T582 D602 S604I526-T582 HydrophobicContact CD1-CG2 3.54Å; I526-T582 WeakPolarHBondContact CD1-OG1 3.46Å; I526-D602 HydrophobicContact CB-CB 3.91Å; I526-D602 HydrophobicContact CG2-CB 4.26Å; I526-D602 PolarHBondContact N-O 3.23Å; I526-S604 WeakPolarHBondContact CD1-OG 3.44Å
527N72.4Confident73.9Confident8 Ų863.9 Ų63.94%0.04335%0.348CS..  trans-46124.1-172.3-69.664.3000112.6S529 L530 H598 T600 D602N527-S529 VanDerWaalsContact C-N 3.32Å; N527-S529 PolarHBondContact O-N 3.29Å; N527-S529 VanDerWaalsContact O-N 3.07Å; N527-L530 HydrophobicContact CB-CB 4.38Å; N527-L530 HydrophobicContact CB-CD1 3.63Å; N527-L530 WeakPolarHBondContact O-CB 3.23Å; N527-L530 PolarHBondContact O-N 3.21Å; N527-H598 VanDerWaalsContact ND2-CG 3.34Å; N527-H598 PolarHBondContact ND2-ND1 3.31Å; N527-T600 PolarHBondContact ND2-O 3.24Å; N527-D602 WeakPolarHBondContact OD1-CB 3.4Å; N527-D602 PolarHBondContact OD1-N 2.82Å
528P57Low74.3Confident131 Ų13160.7 Ų60.785%0.85133%0.329SS*.THydrogen-bonded Turntrans-73.5-8.7-156.724-34.6000116.9
529S58.9Low74.6Confident88 Ų8861.1 Ų61.162%0.61533%0.329SS*.THydrogen-bonded Turntrans-113.912.8-179.158.90000114.4N527 H598N527-S529 VanDerWaalsContact C-N 3.32Å; N527-S529 PolarHBondContact O-N 3.29Å; N527-S529 VanDerWaalsContact O-N 3.07Å; S529-H598 PolarHBondContact OG-CE1 3.09Å; S529-H598 PolarHBondContact OG-NE2 3.39Å
530L54.1Low74.9Confident11 Ų1159.8 Ų59.86%0.05832%0.319CS..SBendtrans-85-26.9-161.1-139.3152.9000114.6L525 N527 Y595 L601L525-L530 HydrophobicContact CD1-CD1 4.03Å; L525-L530 HydrophobicContact CD2-CD1 3.67Å; L525-L530 HydrophobicContact CD2-CD2 3.5Å; L525-L530 VanDerWaalsContact CD2-CD2 3.5Å; L525-L530 HydrophobicContact CD2-CG 4.05Å; L525-L530 HydrophobicContact CG-CD1 3.9Å; L525-L530 HydrophobicContact CG-CD2 4.5Å; N527-L530 HydrophobicContact CB-CB 4.38Å; N527-L530 HydrophobicContact CB-CD1 3.63Å; N527-L530 WeakPolarHBondContact O-CB 3.23Å; N527-L530 PolarHBondContact O-N 3.21Å; L530-Y595 HydrophobicContact CD1-CD1 3.54Å; L530-Y595 HydrophobicContact CD1-CE1 3.84Å; L530-Y595 HydrophobicContact CD1-CG 4.17Å; L530-Y595 HydrophobicContact CD2-CD1 3.83Å; L530-Y595 HydrophobicContact CD2-CE1 3.22Å; L530-Y595 HydrophobicContact CD2-CE2 4.13Å; L530-Y595 HydrophobicContact CG-CD1 3.57Å; L530-Y595 HydrophobicContact CG-CE1 3.29Å; L530-L601 HydrophobicContact CD1-CD1 4.35Å
531L52.7Low74.9Confident48 Ų4855.9 Ų55.925%0.25130%0.303SS..  trans-135.393.5-176.7-71.9165.5000112.9G533 S535L531-G533 PolarHBondContact O-N 3.19Å; L531-S535 WeakPolarHBondContact CD1-O 2.74Å
532R50.4Low75Confident266 Ų26655.3 Ų55.3100%1.00430%0.298SS*.THydrogen-bonded Turntrans-73.590.9166-153.5179.4-161.3177.55.7108.4
533G52.8Low74.9Confident88 Ų8851.1 Ų51.191%0.90728%0.283SS*.THydrogen-bonded Turntrans88.725.7176.500000116.4L531L531-G533 PolarHBondContact O-N 3.19Å
534G54.7Low74.5Confident29 Ų2952.2 Ų52.230%0.29929%0.29SS..SBendtrans-124.8154.1176.500000113.4R536G534-R536 PolarHBondContact O-N 3.48Å
535S58.2Low74.4Confident76 Ų7656 Ų5653%0.53131%0.31SS..  trans-59.5127.7171.7178.40000111L531 Y537L531-S535 WeakPolarHBondContact CD1-O 2.74Å; S535-Y537 PolarHBondContact O-N 3.49Å; S535-Y537 WeakPolarHBondContact OG-CB 3.03Å; S535-Y537 PolarHBondContact OG-N 3.03Å; S535-Y537 PolarHBondContact OG-O 2.97Å
536R74.6Confident74.7Confident149 Ų14957.3 Ų57.356%0.56232%0.318SS*.SBendtrans-65.7-21.2173.4-69.1-165.3-69.5-172.7-3.5112.9N524 L525 G534 C538N524-R536 WeakPolarHBondContact CA-O 3.34Å; N524-R536 WeakPolarHBondContact OD1-CB 3.22Å; L525-R536 PolarHBondContact N-O 3.06Å; G534-R536 PolarHBondContact O-N 3.48Å; R536-C538 PolarHBondContact O-N 3.36Å
537Y85.8Confident75.4Confident56 Ų5655.2 Ų55.222%0.2231%0.307CS..EExtended strand (participates in β ladder)trans-72.5119.8165-93.7-110.1000109.9W522 N524 S535 R580 D606W522-Y537 HydrophobicContact CB-CD1 3.93Å; W522-Y537 HydrophobicContact CB-CE1 4.1Å; W522-Y537 HydrophobicContact CD2-CD1 4.35Å; W522-Y537 AromaticContact CE3-CD1 3.97Å; W522-Y537 HydrophobicContact CE3-CD1 3.97Å; W522-Y537 HydrophobicContact CG-CD1 4.38Å; N524-Y537 HydrophobicContact CB-CD2 3.85Å; N524-Y537 HydrophobicContact CB-CE2 3.75Å; S535-Y537 PolarHBondContact O-N 3.49Å; S535-Y537 WeakPolarHBondContact OG-CB 3.03Å; S535-Y537 PolarHBondContact OG-N 3.03Å; S535-Y537 PolarHBondContact OG-O 2.97Å; Y537-R580 VanDerWaalsContact OH-CZ 3.23Å; Y537-R580 PolarHBondContact OH-NH1 2.79Å; Y537-R580 PolarHBondContact OH-NH2 3.01Å; Y537-D606 PolarHBondContact OH-OD1 3.12Å; Y537-D606 PolarHBondContact OH-OD2 3.12Å
538C88.9Confident76.3Confident0 Ų055.3 Ų55.30%031%0.308CS..EExtended strand (participates in β ladder)trans-123154.8170.6-69.10000108.8L523 R536 F540 W549 Y550L523-C538 PolarHBondContact N-O 2.93Å; L523-C538 VanDerWaalsContact N-O 3.1Å; L523-C538 PolarHBondContact O-N 3.4Å; R536-C538 PolarHBondContact O-N 3.36Å; C538-F540 HydrophobicContact CB-CD2 4.17Å; C538-F540 HydrophobicContact CB-CE2 3.68Å; C538-F540 HydrophobicContact CB-CZ 4.44Å; C538-F540 WeakPolarHBondContact O-CD2 3.36Å; C538-W549 HydrophobicContact CB-CB 4.3Å; C538-Y550 WeakPolarHBondContact CA-O 3.31Å; C538-Y550 VanDerWaalsContact CB-O 3.24Å; C538-Y550 WeakPolarHBondContact CB-O 3.27Å
539W92.8Very high78Confident43 Ų4349.1 Ų49.116%0.16327%0.268CS..EExtended strand (participates in β ladder)trans-88.3114.7173.2179.2-107.5000108.9K520 G521 W522 W549 Y550 D552 D553 E555K520-W539 HydrophobicContact CB-CH2 4.23Å; K520-W539 HydrophobicContact CB-CZ2 3.56Å; K520-W539 HydrophobicContact CD-CZ2 4.17Å; G521-W539 VanDerWaalsContact C-CE3 3.43Å; G521-W539 VanDerWaalsContact CA-CZ3 3.46Å; W522-W539 AromaticContact CD1-CE3 3.61Å; W522-W539 AromaticContact CD1-CZ3 3.55Å; W522-W539 AromaticContact CD2-CE3 3.96Å; W522-W539 HydrophobicContact CD2-CE3 3.96Å; W522-W539 AromaticContact CE2-CE3 3.8Å; W522-W539 HydrophobicContact CE3-CB 4.47Å; W522-W539 AromaticContact CG-CE3 3.86Å; W522-W539 HydrophobicContact CG-CE3 3.86Å; W522-W539 HydrophobicContact CG-CZ3 4.2Å; W522-W539 HydrophobicContact CZ3-CB 4.45Å; W522-W539 AromaticContact NE1-CE3 3.53Å; W522-W539 AromaticContact NE1-CZ3 3.62Å; W539-W549 CarbonylContact O-C 3.55Å; W539-W549 VanDerWaalsContact O-CA 3.29Å; W539-W549 WeakPolarHBondContact O-CA 3.24Å; W539-Y550 PolarHBondContact N-O 3.2Å; W539-Y550 PolarHBondContact O-N 3.5Å; W539-D552 WeakPolarHBondContact CB-O 3.46Å; W539-D553 HydrophobicContact CD2-CB 3.75Å; W539-D553 HydrophobicContact CE3-CB 3.89Å; W539-D553 HydrophobicContact CG-CB 4.11Å; W539-D553 HydrophobicContact CH2-CB 4.45Å; W539-D553 HydrophobicContact CZ2-CB 4.33Å; W539-D553 HydrophobicContact CZ3-CB 4.24Å; W539-E555 PolarHBondContact NE1-OE1 3.3Å
540F94.7Very high79.5Confident0 Ų045.8 Ų45.80%024%0.242CC..EExtended strand (participates in β ladder)trans-97.3141.2-179-75.3-105.7000110.5K520 G521 L523 C538 L547 T548 W549 L603 W614K520-F540 CarbonylContact C-O 3.55Å; K520-F540 VanDerWaalsContact CA-O 3.26Å; K520-F540 WeakPolarHBondContact CA-O 3.48Å; G521-F540 PolarHBondContact N-O 2.81Å; G521-F540 PolarHBondContact O-N 3.13Å; L523-F540 HydrophobicContact CB-CD2 3.57Å; L523-F540 HydrophobicContact CB-CE2 3.72Å; L523-F540 HydrophobicContact CB-CG 4.29Å; L523-F540 HydrophobicContact CD1-CB 4.32Å; L523-F540 HydrophobicContact CD1-CD1 4.49Å; L523-F540 HydrophobicContact CD1-CD2 4.21Å; L523-F540 HydrophobicContact CD1-CG 4.1Å; L523-F540 HydrophobicContact CG-CD2 4.28Å; C538-F540 HydrophobicContact CB-CD2 4.17Å; C538-F540 HydrophobicContact CB-CE2 3.68Å; C538-F540 HydrophobicContact CB-CZ 4.44Å; C538-F540 WeakPolarHBondContact O-CD2 3.36Å; F540-L547 HydrophobicContact CB-CD1 4.28Å; F540-L547 HydrophobicContact CD1-CD1 3.77Å; F540-L547 HydrophobicContact CD1-CD2 4.03Å; F540-L547 HydrophobicContact CD1-CG 3.85Å; F540-L547 HydrophobicContact CE1-CD2 4.23Å; F540-L547 HydrophobicContact CE1-CG 4.38Å; F540-T548 WeakPolarHBondContact CA-O 3.41Å; F540-W549 HydrophobicContact CD1-CB 3.61Å; F540-W549 HydrophobicContact CD1-CD2 4.37Å; F540-W549 HydrophobicContact CD1-CE3 4.12Å; F540-W549 HydrophobicContact CD1-CG 4.24Å; F540-W549 HydrophobicContact CD2-CB 4Å; F540-W549 HydrophobicContact CE1-CB 3.64Å; F540-W549 AromaticContact CE1-CD2 3.69Å; F540-W549 HydrophobicContact CE1-CD2 3.69Å; F540-W549 AromaticContact CE1-CE3 3.57Å; F540-W549 HydrophobicContact CE1-CE3 3.57Å; F540-W549 AromaticContact CE1-CG 3.78Å; F540-W549 HydrophobicContact CE1-CG 3.78Å; F540-W549 HydrophobicContact CE1-CZ3 4.32Å; F540-W549 HydrophobicContact CE2-CB 4.05Å; F540-W549 HydrophobicContact CE2-CG 4.42Å; F540-W549 HydrophobicContact CG-CB 3.8Å; F540-W549 HydrophobicContact CZ-CB 3.86Å; F540-W549 HydrophobicContact CZ-CD2 4.06Å; F540-W549 HydrophobicContact CZ-CE3 4.38Å; F540-W549 AromaticContact CZ-CG 3.88Å; F540-W549 HydrophobicContact CZ-CG 3.88Å; F540-L603 HydrophobicContact CE1-CD1 4.3Å; F540-L603 HydrophobicContact CE1-CD2 3.74Å; F540-L603 HydrophobicContact CE2-CD2 4.1Å; F540-L603 HydrophobicContact CZ-CD2 3.39Å; F540-W614 HydrophobicContact CB-CH2 3.46Å; F540-W614 VanDerWaalsContact CB-CH2 3.46Å; F540-W614 HydrophobicContact CB-CZ2 4.09Å; F540-W614 HydrophobicContact CB-CZ3 4.13Å
541V94.1Very high81Confident8 Ų849.5 Ų49.55%0.04826%0.258CS..EExtended strand (participates in β ladder)trans-126.6106174.4178.20000106.5V517 K520 T548 Y550 E555V517-V541 HydrophobicContact CG1-CG1 3.98Å; V517-V541 HydrophobicContact CG2-CG1 3.86Å; K520-V541 HydrophobicContact CD-CG1 4.45Å; K520-V541 HydrophobicContact CD-CG2 3.93Å; K520-V541 HydrophobicContact CG-CB 4.44Å; K520-V541 HydrophobicContact CG-CG1 4.21Å; K520-V541 HydrophobicContact CG-CG2 4Å; V541-T548 PolarHBondContact N-O 3.18Å; V541-T548 PolarHBondContact O-N 3.26Å; V541-Y550 HydrophobicContact CB-CE2 4.16Å; V541-Y550 HydrophobicContact CG2-CD2 4.01Å; V541-Y550 HydrophobicContact CG2-CE2 3.69Å; V541-E555 HydrophobicContact CG2-CG 4.48Å
542L94Very high82.6Confident0 Ų049 Ų490%026%0.255CS..EExtended strand (participates in β ladder)trans-87.1117.4173.3-179.570000108.2V517 I518 C519 L547 L564 W614 A617 L618 A621V517-L542 CarbonylContact C-O 3.59Å; V517-L542 WeakPolarHBondContact CA-O 3.08Å; I518-L542 HydrophobicContact CB-CD2 4.13Å; I518-L542 HydrophobicContact CB-CG 4.29Å; I518-L542 HydrophobicContact CG2-CD2 4.13Å; I518-L542 PolarHBondContact N-O 2.95Å; C519-L542 PolarHBondContact N-O 3.03Å; C519-L542 PolarHBondContact O-N 2.99Å; L542-L547 HydrophobicContact CB-CD1 4.05Å; L542-L547 HydrophobicContact CD1-CB 4.25Å; L542-L547 HydrophobicContact CD1-CD1 3.98Å; L542-L564 HydrophobicContact CD1-CD1 3.62Å; L542-L564 HydrophobicContact CD1-CD2 4.22Å; L542-W614 HydrophobicContact CB-CZ3 3.99Å; L542-A617 VanDerWaalsContact CD2-C 3.48Å; L542-A617 HydrophobicContact CD2-CB 3.69Å; L542-A617 WeakPolarHBondContact CD2-O 3.11Å; L542-L618 HydrophobicContact CD1-CD2 3.86Å; L542-L618 HydrophobicContact CD2-CD2 4.37Å; L542-L618 HydrophobicContact CD2-CG 4.33Å; L542-A621 HydrophobicContact CD1-CB 4.11Å; L542-A621 HydrophobicContact CD2-CB 4.15Å; L542-A621 HydrophobicContact CG-CB 4.27Å
543T90.1Very high84.4Confident11 Ų1140.9 Ų40.97%0.06723%0.232CC..EExtended strand (participates in β ladder)trans-96169.1158.573.60000110.6G514 Q516 V517 D545 T546 L564G514-T543 WeakPolarHBondContact O-CB 3.39Å; G514-T543 PolarHBondContact O-OG1 3.16Å; Q516-T543 CarbonylContact O-C 3.58Å; Q516-T543 WeakPolarHBondContact O-CA 3.26Å; Q516-T543 VanDerWaalsContact O-CB 3.3Å; Q516-T543 WeakPolarHBondContact O-CB 3.35Å; V517-T543 HydrophobicContact CG2-CG2 4.17Å; T543-D545 VanDerWaalsContact C-N 3.28Å; T543-D545 PolarHBondContact O-N 2.7Å; T543-D545 PolarHBondContact OG1-N 2.87Å; T543-T546 PolarHBondContact N-O 3.12Å; T543-T546 PolarHBondContact OG1-N 2.96Å; T543-T546 PolarHBondContact OG1-O 3.03Å; T543-T546 PolarHBondContact OG1-OG1 3.18Å; T543-L564 VanDerWaalsContact O-CD1 3.23Å; T543-L564 WeakPolarHBondContact O-CD1 3.01Å
544T83Confident86Confident24 Ų2441.9 Ų41.915%0.14721%0.213CC..SBendtrans-47.4-37165.827.50000115.5L513 G514 N515 Q516 I518L513-T544 WeakPolarHBondContact O-CB 3.5Å; L513-T544 PolarHBondContact O-OG1 3.44Å; G514-T544 WeakPolarHBondContact CA-OG1 3.31Å; G514-T544 PolarHBondContact N-OG1 2.68Å; G514-T544 VanDerWaalsContact N-OG1 3.14Å; G514-T544 PolarHBondContact O-OG1 3.38Å; N515-T544 PolarHBondContact N-OG1 2.96Å; Q516-T544 HydrophobicContact CB-CG2 4.27Å; Q516-T544 PolarHBondContact N-OG1 3.41Å; Q516-T544 PolarHBondContact O-N 3.37Å; Q516-T544 VanDerWaalsContact O-N 3.13Å; Q516-T544 PolarHBondContact O-OG1 3.01Å; I518-T544 HydrophobicContact CD1-CG2 3.79Å; I518-T544 HydrophobicContact CG1-CG2 4.15Å
545D86.9Confident87.6Confident93 Ų9343.2 Ų43.250%0.49721%0.211SC..SBendtrans-110.3-16.9-179.8-72.311.1000113.2G514 T543 L564G514-D545 VanDerWaalsContact CA-CB 3.44Å; G514-D545 WeakPolarHBondContact CA-OD1 3.49Å; G514-D545 VanDerWaalsContact CA-OD2 3.24Å; G514-D545 WeakPolarHBondContact CA-OD2 3.18Å; G514-D545 PolarHBondContact N-OD1 3.02Å; G514-D545 PolarHBondContact O-N 3.4Å; T543-D545 VanDerWaalsContact C-N 3.28Å; T543-D545 PolarHBondContact O-N 2.7Å; T543-D545 PolarHBondContact OG1-N 2.87Å; D545-L564 PolarHBondContact O-N 2.89Å
546T92.8Very high88.8Confident30 Ų3048.7 Ų48.718%0.18422%0.22CC..EExtended strand (participates in β ladder)trans-141.2142.8-171.672.10000114.3T543 V561 L562T543-T546 PolarHBondContact N-O 3.12Å; T543-T546 PolarHBondContact OG1-N 2.96Å; T543-T546 PolarHBondContact OG1-O 3.03Å; T543-T546 PolarHBondContact OG1-OG1 3.18Å; T546-V561 HydrophobicContact CG2-CG1 3.8Å; T546-L562 CarbonylContact C-O 3.5Å; T546-L562 VanDerWaalsContact CA-O 3.31Å; T546-L562 WeakPolarHBondContact CA-O 3.46Å
547L94.1Very high89.3Confident1 Ų145.4 Ų45.41%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-99.9104.8160.4-176.762.9000109.1F540 L542 L562 L564 L585 L601 L603 W614F540-L547 HydrophobicContact CB-CD1 4.28Å; F540-L547 HydrophobicContact CD1-CD1 3.77Å; F540-L547 HydrophobicContact CD1-CD2 4.03Å; F540-L547 HydrophobicContact CD1-CG 3.85Å; F540-L547 HydrophobicContact CE1-CD2 4.23Å; F540-L547 HydrophobicContact CE1-CG 4.38Å; L542-L547 HydrophobicContact CB-CD1 4.05Å; L542-L547 HydrophobicContact CD1-CB 4.25Å; L542-L547 HydrophobicContact CD1-CD1 3.98Å; L547-L562 HydrophobicContact CB-CB 4.4Å; L547-L562 PolarHBondContact N-O 3.47Å; L547-L562 PolarHBondContact O-N 3.32Å; L547-L564 HydrophobicContact CB-CD2 3.84Å; L547-L585 HydrophobicContact CD2-CD1 3.72Å; L547-L601 HydrophobicContact CD2-CD2 4.28Å; L547-L603 HydrophobicContact CD2-CD1 4.03Å; L547-W614 HydrophobicContact CD1-CZ3 4.13Å
548T92.8Very high89.4Confident9 Ų950.1 Ų50.16%0.05523%0.228CC..EExtended strand (participates in β ladder)trans-99.3143.8176.8-61.60000109.7F540 V541 Y550 R558 F560 V561F540-T548 WeakPolarHBondContact CA-O 3.41Å; V541-T548 PolarHBondContact N-O 3.18Å; V541-T548 PolarHBondContact O-N 3.26Å; T548-Y550 HydrophobicContact CG2-CD2 4.25Å; T548-Y550 HydrophobicContact CG2-CE1 4.47Å; T548-Y550 HydrophobicContact CG2-CE2 3.5Å; T548-R558 HydrophobicContact CG2-CG 3.68Å; T548-F560 WeakPolarHBondContact CA-O 3.36Å; T548-F560 WeakPolarHBondContact CG2-O 3.41Å; T548-V561 HydrophobicContact CG2-CG2 4.11Å
549W91.9Very high89.3Confident2 Ų253.5 Ų53.51%0.00824%0.241CC..EExtended strand (participates in β ladder)trans-133.6148.6169.563.898.8000114.4L525 C538 W539 F540 R559 F560 L562 Y595 L601L525-W549 HydrophobicContact CD2-CZ2 4.43Å; C538-W549 HydrophobicContact CB-CB 4.3Å; W539-W549 CarbonylContact O-C 3.55Å; W539-W549 VanDerWaalsContact O-CA 3.29Å; W539-W549 WeakPolarHBondContact O-CA 3.24Å; F540-W549 HydrophobicContact CD1-CB 3.61Å; F540-W549 HydrophobicContact CD1-CD2 4.37Å; F540-W549 HydrophobicContact CD1-CE3 4.12Å; F540-W549 HydrophobicContact CD1-CG 4.24Å; F540-W549 HydrophobicContact CD2-CB 4Å; F540-W549 HydrophobicContact CE1-CB 3.64Å; F540-W549 AromaticContact CE1-CD2 3.69Å; F540-W549 HydrophobicContact CE1-CD2 3.69Å; F540-W549 AromaticContact CE1-CE3 3.57Å; F540-W549 HydrophobicContact CE1-CE3 3.57Å; F540-W549 AromaticContact CE1-CG 3.78Å; F540-W549 HydrophobicContact CE1-CG 3.78Å; F540-W549 HydrophobicContact CE1-CZ3 4.32Å; F540-W549 HydrophobicContact CE2-CB 4.05Å; F540-W549 HydrophobicContact CE2-CG 4.42Å; F540-W549 HydrophobicContact CG-CB 3.8Å; F540-W549 HydrophobicContact CZ-CB 3.86Å; F540-W549 HydrophobicContact CZ-CD2 4.06Å; F540-W549 HydrophobicContact CZ-CE3 4.38Å; F540-W549 AromaticContact CZ-CG 3.88Å; F540-W549 HydrophobicContact CZ-CG 3.88Å; W549-R559 PolarHBondContact O-N 2.95Å; W549-F560 HydrophobicContact CD2-CB 3.91Å; W549-F560 HydrophobicContact CE3-CB 4.13Å; W549-F560 HydrophobicContact CH2-CB 3.7Å; W549-F560 AromaticContact CH2-CD1 3.31Å; W549-F560 HydrophobicContact CH2-CD1 3.31Å; W549-F560 HydrophobicContact CH2-CE1 4.17Å; W549-F560 AromaticContact CH2-CG 3.8Å; W549-F560 HydrophobicContact CH2-CG 3.8Å; W549-F560 HydrophobicContact CZ2-CB 3.42Å; W549-F560 VanDerWaalsContact CZ2-CB 3.42Å; W549-F560 AromaticContact CZ2-CD1 3.9Å; W549-F560 HydrophobicContact CZ2-CD1 3.9Å; W549-F560 AromaticContact CZ2-CG 3.88Å; W549-F560 HydrophobicContact CZ2-CG 3.88Å; W549-F560 HydrophobicContact CZ3-CB 4.03Å; W549-F560 AromaticContact CZ3-CD1 3.67Å; W549-F560 HydrophobicContact CZ3-CD1 3.67Å; W549-F560 HydrophobicContact CZ3-CG 4.31Å; W549-F560 PolarHBondContact N-O 2.85Å; W549-F560 VanDerWaalsContact N-O 3.12Å; W549-F560 PolarHBondContact O-N 2.97Å; W549-L562 HydrophobicContact CZ3-CB 3.98Å; W549-Y595 AromaticContact CH2-CD2 3.81Å; W549-Y595 HydrophobicContact CH2-CD2 3.81Å; W549-Y595 HydrophobicContact CH2-CE2 4.43Å; W549-Y595 AromaticContact CZ2-CD2 3.53Å; W549-Y595 HydrophobicContact CZ2-CD2 3.53Å; W549-Y595 AromaticContact CZ2-CE2 3.74Å; W549-Y595 HydrophobicContact CZ2-CE2 3.74Å; W549-Y595 HydrophobicContact CZ2-CG 4.34Å; W549-L601 HydrophobicContact CH2-CD1 3.87Å; W549-L601 HydrophobicContact CH2-CD2 3.83Å; W549-L601 HydrophobicContact CZ2-CD1 4.26Å; W549-L601 HydrophobicContact CZ3-CD2 3.81Å
550Y90.4Very high89.1Confident17 Ų1754.5 Ų54.57%0.06725%0.247CC..EExtended strand (participates in β ladder)trans-121.5162.4-174.6-59.2-92.8000109.9C538 W539 V541 T548 D552 E555 E557 R558C538-Y550 WeakPolarHBondContact CA-O 3.31Å; C538-Y550 VanDerWaalsContact CB-O 3.24Å; C538-Y550 WeakPolarHBondContact CB-O 3.27Å; W539-Y550 PolarHBondContact N-O 3.2Å; W539-Y550 PolarHBondContact O-N 3.5Å; V541-Y550 HydrophobicContact CB-CE2 4.16Å; V541-Y550 HydrophobicContact CG2-CD2 4.01Å; V541-Y550 HydrophobicContact CG2-CE2 3.69Å; T548-Y550 HydrophobicContact CG2-CD2 4.25Å; T548-Y550 HydrophobicContact CG2-CE1 4.47Å; T548-Y550 HydrophobicContact CG2-CE2 3.5Å; Y550-D552 VanDerWaalsContact C-N 3.3Å; Y550-D552 WeakPolarHBondContact CB-O 3.4Å; Y550-E555 VanDerWaalsContact CD1-C 3.45Å; Y550-E555 HydrophobicContact CD1-CB 4.03Å; Y550-E555 HydrophobicContact CD1-CG 4.43Å; Y550-E555 VanDerWaalsContact CD1-O 3.26Å; Y550-E555 WeakPolarHBondContact CD1-O 3.48Å; Y550-E555 HydrophobicContact CD2-CB 4.36Å; Y550-E555 HydrophobicContact CD2-CG 3.9Å; Y550-E555 HydrophobicContact CE1-CB 4.01Å; Y550-E555 WeakPolarHBondContact CE1-O 3.28Å; Y550-E555 HydrophobicContact CE2-CB 4.34Å; Y550-E555 HydrophobicContact CE2-CG 4.02Å; Y550-E555 HydrophobicContact CG-CB 4.22Å; Y550-E555 HydrophobicContact CG-CG 4.12Å; Y550-E557 VanDerWaalsContact CA-O 3.32Å; Y550-E557 WeakPolarHBondContact CA-O 3.39Å; Y550-R558 HydrophobicContact CD1-CB 3.84Å; Y550-R558 HydrophobicContact CD1-CG 4.24Å; Y550-R558 HydrophobicContact CE1-CB 3.61Å; Y550-R558 HydrophobicContact CE1-CG 3.82Å; Y550-R558 PolarHBondContact OH-NE 2.84Å; Y550-R558 PolarHBondContact OH-NH2 2.89Å
551K85.5Confident88.9Confident90 Ų9057 Ų5739%0.39126%0.262SS..SBendtrans-65.8-33.6173.6174.4176.3168.3-1650113.3E557K551-E557 HydrophobicContact CB-CB 4.01Å; K551-E557 HydrophobicContact CB-CG 4.48Å; K551-E557 HydrophobicContact CD-CB 4.2Å; K551-E557 HydrophobicContact CD-CG 4.37Å; K551-E557 WeakPolarHBondContact CD-OE2 3.46Å; K551-E557 WeakPolarHBondContact CE-OE2 3.38Å; K551-E557 PolarHBondContact N-O 2.88Å; K551-E557 VanDerWaalsContact N-O 3.09Å; K551-E557 IonicContact NZ-OE2 2.6Å; K551-E557 PolarHBondContact NZ-OE2 2.83Å
552D85.7Confident88.9Confident36 Ų3657 Ų5719%0.19326%0.262CS..SBendtrans-150.9167.9-17139.751.1000110.6W539 Y550 E554 E555W539-D552 WeakPolarHBondContact CB-O 3.46Å; Y550-D552 VanDerWaalsContact C-N 3.3Å; Y550-D552 WeakPolarHBondContact CB-O 3.4Å; D552-E554 PolarHBondContact O-N 3.01Å; D552-E555 PolarHBondContact O-N 3.11Å
553D88.8Confident88.7Confident97 Ų9761 Ų6152%0.51929%0.287SS..THydrogen-bonded Turntrans-74.7-5.5178.759-28.4000113.8W522 W539 E555W522-D553 HydrophobicContact CZ2-CB 4.17Å; W539-D553 HydrophobicContact CD2-CB 3.75Å; W539-D553 HydrophobicContact CE3-CB 3.89Å; W539-D553 HydrophobicContact CG-CB 4.11Å; W539-D553 HydrophobicContact CH2-CB 4.45Å; W539-D553 HydrophobicContact CZ2-CB 4.33Å; W539-D553 HydrophobicContact CZ3-CB 4.24Å; D553-E555 PolarHBondContact O-N 3.35Å
554E87.1Confident88.7Confident109 Ų10960.9 Ų60.951%0.50929%0.286SS..THydrogen-bonded Turntrans-70.6-11.5166.3-59.8-159.2133.600113D552 R556D552-E554 PolarHBondContact O-N 3.01Å; E554-R556 HydrophobicContact CB-CG 3.94Å; E554-R556 VanDerWaalsContact CD-CZ 3.42Å; E554-R556 WeakPolarHBondContact O-CG 3.49Å; E554-R556 PolarHBondContact O-N 3.27Å; E554-R556 VanDerWaalsContact O-N 3.08Å; E554-R556 IonicContact OE1-CZ 3.81Å; E554-R556 IonicContact OE1-NH1 3.79Å; E554-R556 IonicContact OE1-NH2 3.49Å; E554-R556 PolarHBondContact OE1-NH2 2.89Å; E554-R556 WeakPolarHBondContact OE2-CD 3.41Å; E554-R556 IonicContact OE2-CZ 2.63Å; E554-R556 IonicContact OE2-NE 3.08Å; E554-R556 PolarHBondContact OE2-NE 3.39Å; E554-R556 VanDerWaalsContact OE2-NE 3.1Å; E554-R556 IonicContact OE2-NH1 2.7Å; E554-R556 PolarHBondContact OE2-NH1 2.97Å; E554-R556 VanDerWaalsContact OE2-NH1 3.15Å; E554-R556 IonicContact OE2-NH2 3.32Å; E554-R556 PolarHBondContact OE2-NH2 3.31Å; E554-R556 VanDerWaalsContact OE2-NH2 3.12Å
555E87.1Confident88.9Confident57 Ų5766.9 Ų66.927%0.26632%0.318SS..  trans57.121.5178.6-67.8175.9-158.700114.7K520 W539 V541 Y550 D552 D553K520-E555 VanDerWaalsContact CD-OE1 3.31Å; K520-E555 WeakPolarHBondContact CD-OE1 3.33Å; K520-E555 WeakPolarHBondContact CE-OE1 3.34Å; K520-E555 IonicContact NZ-OE1 2.99Å; K520-E555 PolarHBondContact NZ-OE1 2.72Å; K520-E555 IonicContact NZ-OE2 3.04Å; K520-E555 PolarHBondContact NZ-OE2 3.08Å; W539-E555 PolarHBondContact NE1-OE1 3.3Å; V541-E555 HydrophobicContact CG2-CG 4.48Å; Y550-E555 VanDerWaalsContact CD1-C 3.45Å; Y550-E555 HydrophobicContact CD1-CB 4.03Å; Y550-E555 HydrophobicContact CD1-CG 4.43Å; Y550-E555 VanDerWaalsContact CD1-O 3.26Å; Y550-E555 WeakPolarHBondContact CD1-O 3.48Å; Y550-E555 HydrophobicContact CD2-CB 4.36Å; Y550-E555 HydrophobicContact CD2-CG 3.9Å; Y550-E555 HydrophobicContact CE1-CB 4.01Å; Y550-E555 WeakPolarHBondContact CE1-O 3.28Å; Y550-E555 HydrophobicContact CE2-CB 4.34Å; Y550-E555 HydrophobicContact CE2-CG 4.02Å; Y550-E555 HydrophobicContact CG-CB 4.22Å; Y550-E555 HydrophobicContact CG-CG 4.12Å; D552-E555 PolarHBondContact O-N 3.11Å; D553-E555 PolarHBondContact O-N 3.35Å
556R84Confident88.9Confident190 Ų19064.1 Ų64.172%0.71731%0.311SS*.  trans-82.2-44-176.9-61.8-173.7-171.1161.420113.7E554E554-R556 HydrophobicContact CB-CG 3.94Å; E554-R556 VanDerWaalsContact CD-CZ 3.42Å; E554-R556 WeakPolarHBondContact O-CG 3.49Å; E554-R556 PolarHBondContact O-N 3.27Å; E554-R556 VanDerWaalsContact O-N 3.08Å; E554-R556 IonicContact OE1-CZ 3.81Å; E554-R556 IonicContact OE1-NH1 3.79Å; E554-R556 IonicContact OE1-NH2 3.49Å; E554-R556 PolarHBondContact OE1-NH2 2.89Å; E554-R556 WeakPolarHBondContact OE2-CD 3.41Å; E554-R556 IonicContact OE2-CZ 2.63Å; E554-R556 IonicContact OE2-NE 3.08Å; E554-R556 PolarHBondContact OE2-NE 3.39Å; E554-R556 VanDerWaalsContact OE2-NE 3.1Å; E554-R556 IonicContact OE2-NH1 2.7Å; E554-R556 PolarHBondContact OE2-NH1 2.97Å; E554-R556 VanDerWaalsContact OE2-NH1 3.15Å; E554-R556 IonicContact OE2-NH2 3.32Å; E554-R556 PolarHBondContact OE2-NH2 3.31Å; E554-R556 VanDerWaalsContact OE2-NH2 3.12Å
557E85.1Confident88.8Confident80 Ų8063.2 Ų63.237%0.37431%0.305SS..SBendtrans-102.388.2-177.5-167.2-171125.900110.3Y550 K551 R559Y550-E557 VanDerWaalsContact CA-O 3.32Å; Y550-E557 WeakPolarHBondContact CA-O 3.39Å; K551-E557 HydrophobicContact CB-CB 4.01Å; K551-E557 HydrophobicContact CB-CG 4.48Å; K551-E557 HydrophobicContact CD-CB 4.2Å; K551-E557 HydrophobicContact CD-CG 4.37Å; K551-E557 WeakPolarHBondContact CD-OE2 3.46Å; K551-E557 WeakPolarHBondContact CE-OE2 3.38Å; K551-E557 PolarHBondContact N-O 2.88Å; K551-E557 VanDerWaalsContact N-O 3.09Å; K551-E557 IonicContact NZ-OE2 2.6Å; K551-E557 PolarHBondContact NZ-OE2 2.83Å; E557-R559 PolarHBondContact O-N 2.88Å; E557-R559 IonicContact OE1-CZ 3.69Å; E557-R559 IonicContact OE1-NH1 3.26Å; E557-R559 PolarHBondContact OE1-NH1 2.65Å; E557-R559 IonicContact OE1-NH2 3.69Å
558R87.7Confident88.7Confident155 Ų15566 Ų6659%0.58532%0.317SS*.EExtended strand (participates in β ladder)trans-71.1117.8176.9-167.9-178-65.61721.2110.5T548 Y550 V561T548-R558 HydrophobicContact CG2-CG 3.68Å; Y550-R558 HydrophobicContact CD1-CB 3.84Å; Y550-R558 HydrophobicContact CD1-CG 4.24Å; Y550-R558 HydrophobicContact CE1-CB 3.61Å; Y550-R558 HydrophobicContact CE1-CG 3.82Å; Y550-R558 PolarHBondContact OH-NE 2.84Å; Y550-R558 PolarHBondContact OH-NH2 2.89Å; R558-V561 HydrophobicContact CG-CG2 4.45Å
559R86.5Confident88.6Confident71 Ų7165.5 Ų65.527%0.26831%0.314SS..EExtended strand (participates in β ladder)trans-87.4-36.6-177.8-67.3-167.2177.6-680.6113.6W549 E557W549-R559 PolarHBondContact O-N 2.95Å; E557-R559 PolarHBondContact O-N 2.88Å; E557-R559 IonicContact OE1-CZ 3.69Å; E557-R559 IonicContact OE1-NH1 3.26Å; E557-R559 PolarHBondContact OE1-NH1 2.65Å; E557-R559 IonicContact OE1-NH2 3.69Å
560F89.1Confident88.5Confident64 Ų6470 Ų7028%0.28133%0.331SS..EExtended strand (participates in β ladder)trans-163.3161.6177.8-158.7-108.7000111.8T548 W549 L562 L594 Y595T548-F560 WeakPolarHBondContact CA-O 3.36Å; T548-F560 WeakPolarHBondContact CG2-O 3.41Å; W549-F560 HydrophobicContact CD2-CB 3.91Å; W549-F560 HydrophobicContact CE3-CB 4.13Å; W549-F560 HydrophobicContact CH2-CB 3.7Å; W549-F560 AromaticContact CH2-CD1 3.31Å; W549-F560 HydrophobicContact CH2-CD1 3.31Å; W549-F560 HydrophobicContact CH2-CE1 4.17Å; W549-F560 AromaticContact CH2-CG 3.8Å; W549-F560 HydrophobicContact CH2-CG 3.8Å; W549-F560 HydrophobicContact CZ2-CB 3.42Å; W549-F560 VanDerWaalsContact CZ2-CB 3.42Å; W549-F560 AromaticContact CZ2-CD1 3.9Å; W549-F560 HydrophobicContact CZ2-CD1 3.9Å; W549-F560 AromaticContact CZ2-CG 3.88Å; W549-F560 HydrophobicContact CZ2-CG 3.88Å; W549-F560 HydrophobicContact CZ3-CB 4.03Å; W549-F560 AromaticContact CZ3-CD1 3.67Å; W549-F560 HydrophobicContact CZ3-CD1 3.67Å; W549-F560 HydrophobicContact CZ3-CG 4.31Å; W549-F560 PolarHBondContact N-O 2.85Å; W549-F560 VanDerWaalsContact N-O 3.12Å; W549-F560 PolarHBondContact O-N 2.97Å; F560-L562 HydrophobicContact CD1-CB 4.1Å; F560-L562 HydrophobicContact CE1-CB 4.05Å; F560-L594 WeakPolarHBondContact CE1-O 3.37Å; F560-Y595 HydrophobicContact CB-CD2 4.23Å; F560-Y595 HydrophobicContact CB-CE2 3.94Å; F560-Y595 AromaticContact CD1-CD2 3.77Å; F560-Y595 HydrophobicContact CD1-CD2 3.77Å; F560-Y595 HydrophobicContact CD1-CE2 4.3Å; F560-Y595 AromaticContact CD2-CD2 3.57Å; F560-Y595 HydrophobicContact CD2-CD2 3.57Å; F560-Y595 AromaticContact CD2-CE2 3.42Å; F560-Y595 HydrophobicContact CD2-CE2 3.42Å; F560-Y595 VanDerWaalsContact CD2-CE2 3.42Å; F560-Y595 AromaticContact CE1-CD2 3.89Å; F560-Y595 HydrophobicContact CE1-CD2 3.89Å; F560-Y595 AromaticContact CE2-CD2 3.7Å; F560-Y595 HydrophobicContact CE2-CD2 3.7Å; F560-Y595 AromaticContact CE2-CE2 3.89Å; F560-Y595 HydrophobicContact CE2-CE2 3.89Å; F560-Y595 AromaticContact CG-CD2 3.59Å; F560-Y595 HydrophobicContact CG-CD2 3.59Å; F560-Y595 AromaticContact CG-CE2 3.64Å; F560-Y595 HydrophobicContact CG-CE2 3.64Å; F560-Y595 AromaticContact CZ-CD2 3.85Å; F560-Y595 HydrophobicContact CZ-CD2 3.85Å; F560-Y595 HydrophobicContact CZ-CE2 4.5Å
561V91.4Very high88.3Confident54 Ų5472.8 Ų72.833%0.32735%0.353SS..EExtended strand (participates in β ladder)trans-129.1114.8167.9-177.60000106.9T546 T548 R558T546-V561 HydrophobicContact CG2-CG1 3.8Å; T548-V561 HydrophobicContact CG2-CG2 4.11Å; R558-V561 HydrophobicContact CG-CG2 4.45Å
562L92.3Very high87.9Confident7 Ų769 Ų694%0.03734%0.34CS..EExtended strand (participates in β ladder)trans-99.2115.617517360.2000109T546 L547 W549 F560 L567 L585 L594 L601T546-L562 CarbonylContact C-O 3.5Å; T546-L562 VanDerWaalsContact CA-O 3.31Å; T546-L562 WeakPolarHBondContact CA-O 3.46Å; L547-L562 HydrophobicContact CB-CB 4.4Å; L547-L562 PolarHBondContact N-O 3.47Å; L547-L562 PolarHBondContact O-N 3.32Å; W549-L562 HydrophobicContact CZ3-CB 3.98Å; F560-L562 HydrophobicContact CD1-CB 4.1Å; F560-L562 HydrophobicContact CE1-CB 4.05Å; L562-L567 HydrophobicContact CD1-CD1 4.13Å; L562-L567 HydrophobicContact CD2-CD1 3.77Å; L562-L567 HydrophobicContact CG-CD1 3.88Å; L562-L585 HydrophobicContact CD2-CD1 4.1Å; L562-L594 HydrophobicContact CD1-CB 4.18Å; L562-L594 HydrophobicContact CD1-CG 4.11Å; L562-L594 HydrophobicContact CD2-CD2 4.25Å; L562-L594 HydrophobicContact CD2-CG 4.42Å; L562-L601 HydrophobicContact CD2-CD2 3.93Å
563P90.9Very high87Confident83 Ų8375.1 Ų75.154%0.53937%0.373SS..EExtended strand (participates in β ladder)trans-60.3139.3167.6-20.833.4000110.5L567P563-L567 WeakPolarHBondContact O-CD1 3.12Å
564L90.3Very high85.5Confident9 Ų974.7 Ų74.75%0.04737%0.374CS..  trans-87-14.4-178.6-62.5-179.8000114L542 T543 D545 L547 G566 L567 A621 V623L542-L564 HydrophobicContact CD1-CD1 3.62Å; L542-L564 HydrophobicContact CD1-CD2 4.22Å; T543-L564 VanDerWaalsContact O-CD1 3.23Å; T543-L564 WeakPolarHBondContact O-CD1 3.01Å; D545-L564 PolarHBondContact O-N 2.89Å; L547-L564 HydrophobicContact CB-CD2 3.84Å; L564-G566 PolarHBondContact O-N 3.35Å; L564-L567 HydrophobicContact CD2-CD1 4.28Å; L564-L567 WeakPolarHBondContact O-CB 3.45Å; L564-L567 WeakPolarHBondContact O-CG 3.27Å; L564-L567 PolarHBondContact O-N 3.17Å; L564-A621 HydrophobicContact CD1-CB 3.55Å; L564-V623 HydrophobicContact CB-CG2 3.97Å; L564-V623 HydrophobicContact CD1-CG2 4.39Å; L564-V623 HydrophobicContact CD2-CG2 4Å; L564-V623 HydrophobicContact CG-CG2 4.34Å
565D86.7Confident84Confident151 Ų15171.6 Ų71.681%0.80737%0.371SS*.THydrogen-bonded Turntrans-57.5135.2-176-167.113.6000111.9L567D565-L567 PolarHBondContact O-N 2.85Å
566G85.9Confident82.1Confident34 Ų3479 Ų7935%0.35140%0.402SS..THydrogen-bonded Turntrans65.9-5.3-174.500000116.6L564 H587 P588L564-G566 PolarHBondContact O-N 3.35Å; G566-H587 PolarHBondContact O-CD2 3.07Å; G566-P588 WeakPolarHBondContact O-CD 3.48Å
567L92Very high80.7Confident11 Ų1180 Ų806%0.05841%0.412CS..  trans-72.1148.5-178.3-62.4-171000112.8L562 P563 L564 D565 H587 L594 V623L562-L567 HydrophobicContact CD1-CD1 4.13Å; L562-L567 HydrophobicContact CD2-CD1 3.77Å; L562-L567 HydrophobicContact CG-CD1 3.88Å; P563-L567 WeakPolarHBondContact O-CD1 3.12Å; L564-L567 HydrophobicContact CD2-CD1 4.28Å; L564-L567 WeakPolarHBondContact O-CB 3.45Å; L564-L567 WeakPolarHBondContact O-CG 3.27Å; L564-L567 PolarHBondContact O-N 3.17Å; D565-L567 PolarHBondContact O-N 2.85Å; L567-H587 HydrophobicContact CD2-CB 4.03Å; L567-L594 HydrophobicContact CD1-CD2 4.36Å; L567-L594 HydrophobicContact CD2-CD1 3.82Å; L567-L594 HydrophobicContact CD2-CD2 3.97Å; L567-L594 HydrophobicContact CD2-CG 3.83Å; L567-V623 HydrophobicContact CB-CG1 4.24Å; L567-V623 HydrophobicContact CB-CG2 4.29Å
568K90.7Very high79.4Confident59 Ų5978.4 Ų78.426%0.25741%0.411SS..EExtended strand (participates in β ladder)trans-122.7157.9167.3-63.6-165.9-175.9-172.40110.9L585 H586 P588 F624 D626K568-L585 WeakPolarHBondContact O-CA 3.35Å; K568-H586 PolarHBondContact N-O 3.37Å; K568-H586 PolarHBondContact O-N 2.87Å; K568-P588 HydrophobicContact CD-CG 4.06Å; K568-P588 HydrophobicContact CG-CG 4Å; K568-F624 WeakPolarHBondContact CA-O 3.3Å; K568-D626 HydrophobicContact CB-CB 4.18Å; K568-D626 HydrophobicContact CD-CB 3.78Å; K568-D626 WeakPolarHBondContact CD-OD1 3.47Å; K568-D626 WeakPolarHBondContact CE-OD1 3.41Å; K568-D626 IonicContact NZ-OD1 2.68Å; K568-D626 PolarHBondContact NZ-OD1 3.11Å
569Q91.1Very high78.4Confident0 Ų081.2 Ų81.20%043%0.427CS..EExtended strand (participates in β ladder)trans-115.5151.4173.362177-42.800112.1V584 L585 K615 V623 F624 H625 D626Q569-V584 WeakPolarHBondContact CA-O 3.28Å; Q569-L585 HydrophobicContact CB-CD2 3.86Å; Q569-K615 PolarHBondContact NE2-O 2.79Å; Q569-K615 VanDerWaalsContact OE1-CA 3.3Å; Q569-V623 HydrophobicContact CB-CG1 4.05Å; Q569-V623 HydrophobicContact CG-CG1 4.22Å; Q569-V623 PolarHBondContact NE2-O 3.06Å; Q569-F624 PolarHBondContact N-O 3.25Å; Q569-H625 CarbonylContact O-C 3.43Å; Q569-H625 VanDerWaalsContact O-CA 3.29Å; Q569-H625 WeakPolarHBondContact O-CA 3.49Å; Q569-D626 PolarHBondContact O-N 3.22Å
570R90Very high77.9Confident95 Ų9581.5 Ų81.536%0.35843%0.428SS..EExtended strand (participates in β ladder)trans-143159.6167.760.9-178.8-178.1-111.90.3110G572 V584 H586R570-G572 PolarHBondContact O-N 2.86Å; R570-V584 HydrophobicContact CG-CB 4.11Å; R570-V584 PolarHBondContact N-O 2.92Å; R570-V584 PolarHBondContact O-N 3.43Å; R570-H586 PolarHBondContact NH1-CD2 3.38Å; R570-H586 PolarHBondContact NH1-CE1 2.89Å; R570-H586 PolarHBondContact NH1-ND1 2.92Å; R570-H586 PolarHBondContact NH1-NE2 2.72Å; R570-H586 VanDerWaalsContact NH1-NE2 3.12Å
571S86.3Confident77.8Confident77 Ų7779.7 Ų79.754%0.53842%0.423SS..EExtended strand (participates in β ladder)trans-58.9137.2166.3-65.30000109.3K615S571-K615 PolarHBondContact OG-NZ 3.16Å; S571-K615 VanDerWaalsContact OG-NZ 3.17Å
572G76.4Confident77.6Confident11 Ų1177.8 Ų77.811%0.11341%0.411CS..  trans-85.7146.7175.300000110.8R570 T574 T582R570-G572 PolarHBondContact O-N 2.86Å; G572-T574 PolarHBondContact O-N 2.92Å; G572-T574 VanDerWaalsContact O-N 3.1Å; G572-T582 PolarHBondContact N-O 3.43Å
573D67Low77.6Confident163 Ų16377.5 Ų77.587%0.87241%0.41SS*.  trans-62.9114.6171.8-68.4-44.4000109.4G575D573-G575 PolarHBondContact O-N 3.14Å
574T58.1Low77.6Confident88 Ų8873.9 Ų73.954%0.5439%0.386SS..  trans-70.274.7167.437.10000109.1G572 F576G572-T574 PolarHBondContact O-N 2.92Å; G572-T574 VanDerWaalsContact O-N 3.1Å; T574-F576 PolarHBondContact O-N 3.25Å
575G54.7Low77.7Confident44 Ų4473.5 Ų73.545%0.45438%0.384SS..  trans-51.4139.917700000110.7D573 F577 S578D573-G575 PolarHBondContact O-N 3.14Å; G575-F577 PolarHBondContact O-N 2.88Å; G575-S578 PolarHBondContact O-N 3.32Å
576F48.9Very low77.9Confident212 Ų21267 Ų6793%0.9335%0.349SS*.THydrogen-bonded Turntrans-44.1-11.7-165.7-99.6-96.7000118.7T574T574-F576 PolarHBondContact O-N 3.25Å
577F54.3Low78.1Confident211 Ų21167.7 Ų67.793%0.92534%0.343SS*.THydrogen-bonded Turntrans-114.90.5-178.3-64.8-83.3000114.8G575G575-F577 PolarHBondContact O-N 2.88Å
578S56.8Low77.8Confident48 Ų4870.6 Ų70.634%0.33636%0.362SS..  trans-119.2107.1176.4-175.10000111.8G575 R580G575-S578 PolarHBondContact O-N 3.32Å; S578-R580 PolarHBondContact O-N 2.9Å
579K66.9Low77.6Confident214 Ų21471 Ų7193%0.9337%0.367SS*.  trans-72.8-3.4172.9-74-167.8174.7-171.80114.3
580R77.2Confident77.1Confident76 Ų7675.2 Ų75.229%0.28740%0.395SS..SBendtrans-83.8124.5-174.8-72.1171.8163-81.70.2109.8Y537 S578 T582 A605 D606Y537-R580 VanDerWaalsContact OH-CZ 3.23Å; Y537-R580 PolarHBondContact OH-NH1 2.79Å; Y537-R580 PolarHBondContact OH-NH2 3.01Å; S578-R580 PolarHBondContact O-N 2.9Å; R580-T582 PolarHBondContact O-N 3.49Å; R580-T582 PolarHBondContact O-OG1 3.49Å; R580-A605 PolarHBondContact NH1-O 2.83Å; R580-A605 VanDerWaalsContact NH1-O 3.09Å; R580-D606 IonicContact CZ-OD1 3.04Å; R580-D606 IonicContact NH1-OD1 2.7Å; R580-D606 PolarHBondContact NH1-OD1 3.1Å; R580-D606 IonicContact NH1-OD2 3.86Å; R580-D606 IonicContact NH2-OD1 3.65Å; R580-D606 PolarHBondContact NH2-OD1 3.25Å
581P85.4Confident76.8Confident27 Ų2779.1 Ų79.118%0.17542%0.415CS..  trans-59.5139.8175.925.8-32.4000109S604 A605 T607 E608 V611P581-S604 VanDerWaalsContact O-CA 3.27Å; P581-S604 WeakPolarHBondContact O-CA 3.49Å; P581-S604 VanDerWaalsContact O-CB 3.25Å; P581-S604 WeakPolarHBondContact O-CB 3.32Å; P581-A605 PolarHBondContact O-N 3.48Å; P581-T607 WeakPolarHBondContact CG-O 3.24Å; P581-E608 HydrophobicContact CG-CB 4.36Å; P581-V611 HydrophobicContact CB-CB 4.28Å; P581-V611 HydrophobicContact CB-CG2 3.78Å; P581-V611 HydrophobicContact CG-CG2 3.81Å; P581-V611 WeakPolarHBondContact O-CG2 3.34Å
582T87.8Confident76.8Confident14 Ų1478.1 Ų78.19%0.08641%0.405CS..EExtended strand (participates in β ladder)trans-136.4141.8-164.7-61.80000110.7I526 G572 R580 L603I526-T582 HydrophobicContact CD1-CG2 3.54Å; I526-T582 WeakPolarHBondContact CD1-OG1 3.46Å; G572-T582 PolarHBondContact N-O 3.43Å; R580-T582 PolarHBondContact O-N 3.49Å; R580-T582 PolarHBondContact O-OG1 3.49Å; T582-L603 CarbonylContact C-O 3.57Å; T582-L603 VanDerWaalsContact CA-O 3.3Å; T582-L603 WeakPolarHBondContact CA-O 3.39Å; T582-L603 WeakPolarHBondContact CG2-O 3.16Å
583F91.3Very high77.3Confident0 Ų081 Ų810%042%0.417CS..EExtended strand (participates in β ladder)trans-131.4153.9170.967.4-84.9000109.9L523 L603 V611 W614 K615 L618L523-F583 HydrophobicContact CD1-CE1 4.26Å; L523-F583 HydrophobicContact CD1-CZ 3.82Å; L523-F583 HydrophobicContact CD2-CE1 4.16Å; F583-L603 HydrophobicContact CD1-CB 4.24Å; F583-L603 WeakPolarHBondContact CD1-O 3.46Å; F583-L603 HydrophobicContact CD2-CB 4.32Å; F583-L603 HydrophobicContact CE1-CB 3.74Å; F583-L603 HydrophobicContact CE2-CB 3.8Å; F583-L603 HydrophobicContact CE2-CD1 3.6Å; F583-L603 HydrophobicContact CE2-CG 4.29Å; F583-L603 HydrophobicContact CZ-CB 3.51Å; F583-L603 HydrophobicContact CZ-CD1 3.69Å; F583-L603 HydrophobicContact CZ-CG 4.24Å; F583-L603 PolarHBondContact N-O 3.3Å; F583-L603 PolarHBondContact O-N 3.03Å; F583-V611 HydrophobicContact CB-CG1 4.38Å; F583-V611 HydrophobicContact CD1-CG1 3.93Å; F583-V611 HydrophobicContact CD1-CG2 4.31Å; F583-W614 HydrophobicContact CE1-CB 4.03Å; F583-W614 HydrophobicContact CZ-CB 4.07Å; F583-K615 HydrophobicContact CB-CG 4.26Å; F583-K615 HydrophobicContact CG-CG 4.47Å; F583-L618 HydrophobicContact CD2-CD1 3.96Å; F583-L618 HydrophobicContact CE2-CD1 3.46Å; F583-L618 VanDerWaalsContact CE2-CD1 3.46Å; F583-L618 HydrophobicContact CZ-CD1 4.23Å
584V91.6Very high78.2Confident8 Ų873.5 Ų73.55%0.04838%0.377CS..EExtended strand (participates in β ladder)trans-128.2123.5-171.8176.30000109.8Q569 R570 T600 L601 D602Q569-V584 WeakPolarHBondContact CA-O 3.28Å; R570-V584 HydrophobicContact CG-CB 4.11Å; R570-V584 PolarHBondContact N-O 2.92Å; R570-V584 PolarHBondContact O-N 3.43Å; V584-T600 HydrophobicContact CG1-CG2 4.02Å; V584-L601 WeakPolarHBondContact CA-O 3.43Å; V584-D602 HydrophobicContact CG2-CB 4.23Å
585L92.6Very high79.3Confident0 Ų070.2 Ų70.20%036%0.355CS..EExtended strand (participates in β ladder)trans-87142.5167-57.4-178000110L547 L562 K568 Q569 L594 T600 L601 L603 L618 V623L547-L585 HydrophobicContact CD2-CD1 3.72Å; L562-L585 HydrophobicContact CD2-CD1 4.1Å; K568-L585 WeakPolarHBondContact O-CA 3.35Å; Q569-L585 HydrophobicContact CB-CD2 3.86Å; L585-L594 HydrophobicContact CB-CD2 3.73Å; L585-L594 WeakPolarHBondContact O-CD2 3.18Å; L585-T600 CarbonylContact O-C 3.55Å; L585-T600 WeakPolarHBondContact O-CA 3.32Å; L585-T600 WeakPolarHBondContact O-CB 3.48Å; L585-L601 HydrophobicContact CB-CB 4.21Å; L585-L601 HydrophobicContact CD1-CD2 4.38Å; L585-L601 PolarHBondContact N-O 2.68Å; L585-L601 PolarHBondContact O-N 3.23Å; L585-L603 HydrophobicContact CD1-CD1 4.46Å; L585-L618 HydrophobicContact CD1-CD2 4.44Å; L585-L618 HydrophobicContact CD2-CD1 3.92Å; L585-L618 HydrophobicContact CD2-CD2 4.14Å; L585-V623 HydrophobicContact CD2-CG1 3.99Å
586H90.9Very high80.5Confident15 Ų1574 Ų747%0.06936%0.36CS..EExtended strand (participates in β ladder)trans-153.3162.1172.267.3104.1000110.9K568 R570 T600 D626K568-H586 PolarHBondContact N-O 3.37Å; K568-H586 PolarHBondContact O-N 2.87Å; R570-H586 PolarHBondContact NH1-CD2 3.38Å; R570-H586 PolarHBondContact NH1-CE1 2.89Å; R570-H586 PolarHBondContact NH1-ND1 2.92Å; R570-H586 PolarHBondContact NH1-NE2 2.72Å; R570-H586 VanDerWaalsContact NH1-NE2 3.12Å; H586-T600 HydrophobicContact CB-CG2 4.13Å; H586-D626 IonicContact CE1-OD2 3.06Å; H586-D626 PolarHBondContact CE1-OD2 3.41Å; H586-D626 IonicContact NE2-OD2 2.76Å
587H89.9Confident82.1Confident48 Ų4870.5 Ų70.522%0.22235%0.35CS..  trans-98.1146.2170.5-169.3-98.4000109.6G566 L567 D589 V592 L594G566-H587 PolarHBondContact O-CD2 3.07Å; L567-H587 HydrophobicContact CD2-CB 4.03Å; H587-D589 WeakPolarHBondContact ND1-CB 3.32Å; H587-D589 PolarHBondContact ND1-N 3.33Å; H587-D589 VanDerWaalsContact ND1-N 3.11Å; H587-V592 HydrophobicContact CB-CB 3.9Å; H587-V592 HydrophobicContact CB-CG1 3.93Å; H587-V592 WeakPolarHBondContact ND1-CG2 3.34Å; H587-L594 HydrophobicContact CB-CD1 3.88Å
588P85Confident83.5Confident72 Ų7262.1 Ų62.147%0.46831%0.314SS..SBendtrans-65.8-32.3176.8-2635.9000114.3G566 K568 P590G566-P588 WeakPolarHBondContact O-CD 3.48Å; K568-P588 HydrophobicContact CD-CG 4.06Å; K568-P588 HydrophobicContact CG-CG 4Å; P588-P590 WeakPolarHBondContact O-CD 3.29Å
589D86.5Confident84.9Confident68 Ų6865.3 Ų65.336%0.36432%0.322SS..SBendtrans-76.7114.8169.7-178.3-7.2000109.8H587 K591 V592H587-D589 WeakPolarHBondContact ND1-CB 3.32Å; H587-D589 PolarHBondContact ND1-N 3.33Å; H587-D589 VanDerWaalsContact ND1-N 3.11Å; D589-K591 PolarHBondContact O-N 3.43Å; D589-K591 VanDerWaalsContact OD1-CB 3.3Å; D589-K591 WeakPolarHBondContact OD1-CB 3.3Å; D589-K591 WeakPolarHBondContact OD1-CG 3.33Å; D589-K591 PolarHBondContact OD1-N 3.06Å; D589-V592 HydrophobicContact CB-CG2 4.13Å; D589-V592 PolarHBondContact O-N 2.64Å; D589-V592 VanDerWaalsContact O-N 3.12Å
590P80.7Confident86Confident89 Ų8956.8 Ų56.858%0.57829%0.288SS*.THydrogen-bonded Turntrans-70.11-17932.2-38.4000114.3P588 K599P588-P590 WeakPolarHBondContact O-CD 3.29Å; P590-K599 WeakPolarHBondContact O-CD 3.31Å; P590-K599 VanDerWaalsContact O-CE 3.3Å; P590-K599 WeakPolarHBondContact O-CE 3.48Å; P590-K599 PolarHBondContact O-NZ 3.25Å
591K84.6Confident86.6Confident177 Ų17753.1 Ų53.177%0.7727%0.274SS*.THydrogen-bonded Turntrans-87.3-16.3170.9-62174.9-177.6173.80113.3D589D589-K591 PolarHBondContact O-N 3.43Å; D589-K591 VanDerWaalsContact OD1-CB 3.3Å; D589-K591 WeakPolarHBondContact OD1-CB 3.3Å; D589-K591 WeakPolarHBondContact OD1-CG 3.33Å; D589-K591 PolarHBondContact OD1-N 3.06Å
592V85.9Confident86.9Confident55 Ų5553.8 Ų53.833%0.33328%0.276SS..  trans-86121-177.9177.40000109.9H587 D589H587-V592 HydrophobicContact CB-CB 3.9Å; H587-V592 HydrophobicContact CB-CG1 3.93Å; H587-V592 WeakPolarHBondContact ND1-CG2 3.34Å; D589-V592 HydrophobicContact CB-CG2 4.13Å; D589-V592 PolarHBondContact O-N 2.64Å; D589-V592 VanDerWaalsContact O-N 3.12Å
593N86.8Confident87Confident71 Ų7153.1 Ų53.138%0.3827%0.272SS..  trans-90.1129.7169.8-62.2-17.1000109.2K596 H598N593-K596 WeakPolarHBondContact CB-O 3.25Å; N593-K596 PolarHBondContact ND2-O 3.06Å; N593-H598 CarbonylContact C-O 3.58Å; N593-H598 WeakPolarHBondContact CA-O 3.36Å
594L85.6Confident86.9Confident6 Ų653.1 Ų53.13%0.03127%0.272CS..SBendtrans-77.6-36.8176.6-88.863.4000111.6F560 L562 L567 L585 H587 H598 L601F560-L594 WeakPolarHBondContact CE1-O 3.37Å; L562-L594 HydrophobicContact CD1-CB 4.18Å; L562-L594 HydrophobicContact CD1-CG 4.11Å; L562-L594 HydrophobicContact CD2-CD2 4.25Å; L562-L594 HydrophobicContact CD2-CG 4.42Å; L567-L594 HydrophobicContact CD1-CD2 4.36Å; L567-L594 HydrophobicContact CD2-CD1 3.82Å; L567-L594 HydrophobicContact CD2-CD2 3.97Å; L567-L594 HydrophobicContact CD2-CG 3.83Å; L585-L594 HydrophobicContact CB-CD2 3.73Å; L585-L594 WeakPolarHBondContact O-CD2 3.18Å; H587-L594 HydrophobicContact CB-CD1 3.88Å; L594-H598 PolarHBondContact N-O 2.7Å; L594-L601 HydrophobicContact CD2-CB 4.12Å
595Y81.9Confident86.8Confident19 Ų1953 Ų538%0.07527%0.271CS..BIsolated β-bridgetrans-146.7112.6-179.2-178-88.8000111.5L530 W549 F560 D597 H598L530-Y595 HydrophobicContact CD1-CD1 3.54Å; L530-Y595 HydrophobicContact CD1-CE1 3.84Å; L530-Y595 HydrophobicContact CD1-CG 4.17Å; L530-Y595 HydrophobicContact CD2-CD1 3.83Å; L530-Y595 HydrophobicContact CD2-CE1 3.22Å; L530-Y595 HydrophobicContact CD2-CE2 4.13Å; L530-Y595 HydrophobicContact CG-CD1 3.57Å; L530-Y595 HydrophobicContact CG-CE1 3.29Å; W549-Y595 AromaticContact CH2-CD2 3.81Å; W549-Y595 HydrophobicContact CH2-CD2 3.81Å; W549-Y595 HydrophobicContact CH2-CE2 4.43Å; W549-Y595 AromaticContact CZ2-CD2 3.53Å; W549-Y595 HydrophobicContact CZ2-CD2 3.53Å; W549-Y595 AromaticContact CZ2-CE2 3.74Å; W549-Y595 HydrophobicContact CZ2-CE2 3.74Å; W549-Y595 HydrophobicContact CZ2-CG 4.34Å; F560-Y595 HydrophobicContact CB-CD2 4.23Å; F560-Y595 HydrophobicContact CB-CE2 3.94Å; F560-Y595 AromaticContact CD1-CD2 3.77Å; F560-Y595 HydrophobicContact CD1-CD2 3.77Å; F560-Y595 HydrophobicContact CD1-CE2 4.3Å; F560-Y595 AromaticContact CD2-CD2 3.57Å; F560-Y595 HydrophobicContact CD2-CD2 3.57Å; F560-Y595 AromaticContact CD2-CE2 3.42Å; F560-Y595 HydrophobicContact CD2-CE2 3.42Å; F560-Y595 VanDerWaalsContact CD2-CE2 3.42Å; F560-Y595 AromaticContact CE1-CD2 3.89Å; F560-Y595 HydrophobicContact CE1-CD2 3.89Å; F560-Y595 AromaticContact CE2-CD2 3.7Å; F560-Y595 HydrophobicContact CE2-CD2 3.7Å; F560-Y595 AromaticContact CE2-CE2 3.89Å; F560-Y595 HydrophobicContact CE2-CE2 3.89Å; F560-Y595 AromaticContact CG-CD2 3.59Å; F560-Y595 HydrophobicContact CG-CD2 3.59Å; F560-Y595 AromaticContact CG-CE2 3.64Å; F560-Y595 HydrophobicContact CG-CE2 3.64Å; F560-Y595 AromaticContact CZ-CD2 3.85Å; F560-Y595 HydrophobicContact CZ-CD2 3.85Å; F560-Y595 HydrophobicContact CZ-CE2 4.5Å; Y595-D597 PolarHBondContact O-N 3.43Å; Y595-H598 PolarHBondContact N-O 3.12Å; Y595-H598 WeakPolarHBondContact O-CB 3.27Å; Y595-H598 PolarHBondContact O-N 3.03Å
596K80.4Confident86.5Confident125 Ų12557.7 Ų57.754%0.54330%0.297SS..THydrogen-bonded Turntrans52.2-108.8-174.1-61.8176.8-1791540110.9N593N593-K596 WeakPolarHBondContact CB-O 3.25Å; N593-K596 PolarHBondContact ND2-O 3.06Å
597D82.9Confident86.3Confident138 Ų13860.3 Ų60.374%0.73831%0.314SS*.THydrogen-bonded Turntrans-100.6-1.1-178.4-42.8-55.5000112.4Y595Y595-D597 PolarHBondContact O-N 3.43Å
598H83.8Confident86.1Confident35 Ų3564.8 Ų64.816%0.16234%0.335CS..BIsolated β-bridgetrans-86.4126.1-179.3-66.9-84.9000111.7N527 S529 N593 L594 Y595 T600N527-H598 VanDerWaalsContact ND2-CG 3.34Å; N527-H598 PolarHBondContact ND2-ND1 3.31Å; S529-H598 PolarHBondContact OG-CE1 3.09Å; S529-H598 PolarHBondContact OG-NE2 3.39Å; N593-H598 CarbonylContact C-O 3.58Å; N593-H598 WeakPolarHBondContact CA-O 3.36Å; L594-H598 PolarHBondContact N-O 2.7Å; Y595-H598 PolarHBondContact N-O 3.12Å; Y595-H598 WeakPolarHBondContact O-CB 3.27Å; Y595-H598 PolarHBondContact O-N 3.03Å; H598-T600 VanDerWaalsContact C-N 3.3Å; H598-T600 WeakPolarHBondContact CB-O 3.24Å
599K86.2Confident86.2Confident115 Ų11569 Ų6950%0.535%0.348SS..SBendtrans-80.8-8.5174.6-58-171.6179.2-1620113.9P590P590-K599 WeakPolarHBondContact O-CD 3.31Å; P590-K599 VanDerWaalsContact O-CE 3.3Å; P590-K599 WeakPolarHBondContact O-CE 3.48Å; P590-K599 PolarHBondContact O-NZ 3.25Å
600T89.3Confident86.3Confident34 Ų3467.2 Ų67.221%0.20934%0.343CS..EExtended strand (participates in β ladder)trans-134.715717866.80000110.5N527 V584 L585 H586 H598 D602N527-T600 PolarHBondContact ND2-O 3.24Å; V584-T600 HydrophobicContact CG1-CG2 4.02Å; L585-T600 CarbonylContact O-C 3.55Å; L585-T600 WeakPolarHBondContact O-CA 3.32Å; L585-T600 WeakPolarHBondContact O-CB 3.48Å; H586-T600 HydrophobicContact CB-CG2 4.13Å; H598-T600 VanDerWaalsContact C-N 3.3Å; H598-T600 WeakPolarHBondContact CB-O 3.24Å; T600-D602 VanDerWaalsContact CB-OD1 3.32Å; T600-D602 WeakPolarHBondContact CB-OD1 3.42Å; T600-D602 PolarHBondContact OG1-OD1 3.35Å
601L90.4Very high86.7Confident0 Ų063.1 Ų63.10%032%0.316CS..EExtended strand (participates in β ladder)trans-122.4109.3168.7-165.178.7000108.8L525 L530 L547 W549 L562 V584 L585 L594 L603L525-L601 HydrophobicContact CD1-CD1 3.58Å; L525-L601 HydrophobicContact CD1-CG 3.91Å; L530-L601 HydrophobicContact CD1-CD1 4.35Å; L547-L601 HydrophobicContact CD2-CD2 4.28Å; W549-L601 HydrophobicContact CH2-CD1 3.87Å; W549-L601 HydrophobicContact CH2-CD2 3.83Å; W549-L601 HydrophobicContact CZ2-CD1 4.26Å; W549-L601 HydrophobicContact CZ3-CD2 3.81Å; L562-L601 HydrophobicContact CD2-CD2 3.93Å; V584-L601 WeakPolarHBondContact CA-O 3.43Å; L585-L601 HydrophobicContact CB-CB 4.21Å; L585-L601 HydrophobicContact CD1-CD2 4.38Å; L585-L601 PolarHBondContact N-O 2.68Å; L585-L601 PolarHBondContact O-N 3.23Å; L594-L601 HydrophobicContact CD2-CB 4.12Å; L601-L603 HydrophobicContact CD2-CD1 4.05Å; L601-L603 HydrophobicContact CD2-CD2 4.4Å; L601-L603 HydrophobicContact CD2-CG 4.36Å; L601-L603 HydrophobicContact CG-CD2 4.44Å; L601-L603 HydrophobicContact CG-CG 4.35Å
602D90.1Very high87Confident41 Ų4159 Ų5922%0.21930%0.299CS..EExtended strand (participates in β ladder)trans-99.2117.5-171.4-58.918.4000109I526 N527 V584 T600I526-D602 HydrophobicContact CB-CB 3.91Å; I526-D602 HydrophobicContact CG2-CB 4.26Å; I526-D602 PolarHBondContact N-O 3.23Å; N527-D602 WeakPolarHBondContact OD1-CB 3.4Å; N527-D602 PolarHBondContact OD1-N 2.82Å; V584-D602 HydrophobicContact CG2-CB 4.23Å; T600-D602 VanDerWaalsContact CB-OD1 3.32Å; T600-D602 WeakPolarHBondContact CB-OD1 3.42Å; T600-D602 PolarHBondContact OG1-OD1 3.35Å
603L90.7Very high87.1Confident0 Ų059.1 Ų59.10%031%0.307CS..EExtended strand (participates in β ladder)trans-127.8139.8-168.2-66.2172.6000111.4L523 L525 F540 L547 T582 F583 L585 L601L523-L603 HydrophobicContact CD1-CB 4.44Å; L523-L603 HydrophobicContact CD1-CD1 4.23Å; L525-L603 HydrophobicContact CB-CD2 4.41Å; L525-L603 HydrophobicContact CD1-CD2 3.65Å; F540-L603 HydrophobicContact CE1-CD1 4.3Å; F540-L603 HydrophobicContact CE1-CD2 3.74Å; F540-L603 HydrophobicContact CE2-CD2 4.1Å; F540-L603 HydrophobicContact CZ-CD2 3.39Å; L547-L603 HydrophobicContact CD2-CD1 4.03Å; T582-L603 CarbonylContact C-O 3.57Å; T582-L603 VanDerWaalsContact CA-O 3.3Å; T582-L603 WeakPolarHBondContact CA-O 3.39Å; T582-L603 WeakPolarHBondContact CG2-O 3.16Å; F583-L603 HydrophobicContact CD1-CB 4.24Å; F583-L603 WeakPolarHBondContact CD1-O 3.46Å; F583-L603 HydrophobicContact CD2-CB 4.32Å; F583-L603 HydrophobicContact CE1-CB 3.74Å; F583-L603 HydrophobicContact CE2-CB 3.8Å; F583-L603 HydrophobicContact CE2-CD1 3.6Å; F583-L603 HydrophobicContact CE2-CG 4.29Å; F583-L603 HydrophobicContact CZ-CB 3.51Å; F583-L603 HydrophobicContact CZ-CD1 3.69Å; F583-L603 HydrophobicContact CZ-CG 4.24Å; F583-L603 PolarHBondContact N-O 3.3Å; F583-L603 PolarHBondContact O-N 3.03Å; L585-L603 HydrophobicContact CD1-CD1 4.46Å; L601-L603 HydrophobicContact CD2-CD1 4.05Å; L601-L603 HydrophobicContact CD2-CD2 4.4Å; L601-L603 HydrophobicContact CD2-CG 4.36Å; L601-L603 HydrophobicContact CG-CD2 4.44Å; L601-L603 HydrophobicContact CG-CG 4.35Å
604S90Very high87.5Confident0 Ų056.7 Ų56.70%029%0.292CS..EExtended strand (participates in β ladder)trans-136.1153.7-179.255.50000113.1L523 N524 I526 P581L523-S604 WeakPolarHBondContact CD2-O 3.28Å; N524-S604 WeakPolarHBondContact CB-OG 3.41Å; N524-S604 PolarHBondContact N-O 3.1Å; N524-S604 PolarHBondContact ND2-OG 3.44Å; N524-S604 PolarHBondContact O-N 2.84Å; N524-S604 PolarHBondContact O-OG 2.87Å; I526-S604 WeakPolarHBondContact CD1-OG 3.44Å; P581-S604 VanDerWaalsContact O-CA 3.27Å; P581-S604 WeakPolarHBondContact O-CA 3.49Å; P581-S604 VanDerWaalsContact O-CB 3.25Å; P581-S604 WeakPolarHBondContact O-CB 3.32Å
605A88.4Confident87.8Confident4 Ų457.1 Ų57.13%0.03329%0.294CS..  trans-120.8-175.9176.400000112L523 R580 P581 A610 V611L523-A605 HydrophobicContact CD2-CB 3.92Å; R580-A605 PolarHBondContact NH1-O 2.83Å; R580-A605 VanDerWaalsContact NH1-O 3.09Å; P581-A605 PolarHBondContact O-N 3.48Å; A605-A610 HydrophobicContact CB-CB 3.72Å; A605-V611 HydrophobicContact CB-CG2 3.77Å
606D87Confident88.1Confident100 Ų10058.3 Ų58.354%0.53531%0.308SS..SBendtrans-84.3-28.7176.6-75.5-61.2000113.8Y537 R580Y537-D606 PolarHBondContact OH-OD1 3.12Å; Y537-D606 PolarHBondContact OH-OD2 3.12Å; R580-D606 IonicContact CZ-OD1 3.04Å; R580-D606 IonicContact NH1-OD1 2.7Å; R580-D606 PolarHBondContact NH1-OD1 3.1Å; R580-D606 IonicContact NH1-OD2 3.86Å; R580-D606 IonicContact NH2-OD1 3.65Å; R580-D606 PolarHBondContact NH2-OD1 3.25Å
607T87.2Confident88.6Confident70 Ų7052.4 Ų52.443%0.42928%0.282SS..SBendtrans-129.6157.4179.165.10000111.3P581 A610 V611P581-T607 WeakPolarHBondContact CG-O 3.24Å; T607-A610 PolarHBondContact O-N 3.01Å; T607-A610 WeakPolarHBondContact OG1-CB 3.27Å; T607-A610 PolarHBondContact OG1-N 3.43Å; T607-A610 VanDerWaalsContact OG1-N 3.14Å; T607-V611 PolarHBondContact O-N 2.88Å
608E85.9Confident88.9Confident142 Ų14245.9 Ų45.966%0.66425%0.247SC*.Hα-helixtrans-67.8-39.7176.3-169.1160.8-154.300110.9P581 A610 V611 E612P581-E608 HydrophobicContact CG-CB 4.36Å; E608-A610 VanDerWaalsContact C-N 3.26Å; E608-A610 PolarHBondContact O-N 3.33Å; E608-V611 PolarHBondContact O-N 2.95Å; E608-E612 PolarHBondContact O-N 2.94Å
609E85.7Confident89.2Confident160 Ų16046.8 Ų46.875%0.74826%0.255SS*.Hα-helixtrans-52.6-41169.5-61.5176.8158.600112.8A613E609-A613 VanDerWaalsContact O-CB 3.27Å; E609-A613 WeakPolarHBondContact O-CB 3.36Å; E609-A613 PolarHBondContact O-N 2.86Å
610A89.5Confident88.9Confident31 Ų3148.4 Ų48.426%0.25626%0.258SS..Hα-helixtrans-68-41.2176.800000111.5A605 T607 E608 A613 W614A605-A610 HydrophobicContact CB-CB 3.72Å; T607-A610 PolarHBondContact O-N 3.01Å; T607-A610 WeakPolarHBondContact OG1-CB 3.27Å; T607-A610 PolarHBondContact OG1-N 3.43Å; T607-A610 VanDerWaalsContact OG1-N 3.14Å; E608-A610 VanDerWaalsContact C-N 3.26Å; E608-A610 PolarHBondContact O-N 3.33Å; A610-A613 PolarHBondContact O-N 2.92Å; A610-W614 PolarHBondContact O-N 3Å
611V89.2Confident88.8Confident3 Ų347.4 Ų47.42%0.01825%0.253CS..Hα-helixtrans-62.1-46174.6166.40000111.4P581 F583 A605 T607 E608 A613 W614 K615P581-V611 HydrophobicContact CB-CB 4.28Å; P581-V611 HydrophobicContact CB-CG2 3.78Å; P581-V611 HydrophobicContact CG-CG2 3.81Å; P581-V611 WeakPolarHBondContact O-CG2 3.34Å; F583-V611 HydrophobicContact CB-CG1 4.38Å; F583-V611 HydrophobicContact CD1-CG1 3.93Å; F583-V611 HydrophobicContact CD1-CG2 4.31Å; A605-V611 HydrophobicContact CB-CG2 3.77Å; T607-V611 PolarHBondContact O-N 2.88Å; E608-V611 PolarHBondContact O-N 2.95Å; V611-A613 PolarHBondContact O-N 2.8Å; V611-W614 PolarHBondContact O-N 2.94Å; V611-W614 VanDerWaalsContact O-N 3.17Å; V611-K615 HydrophobicContact CG1-CD 4.24Å; V611-K615 HydrophobicContact CG1-CG 4.31Å; V611-K615 WeakPolarHBondContact O-CG 3.32Å; V611-K615 PolarHBondContact O-N 2.87Å
612E89.4Confident88.4Confident89 Ų8949.3 Ų49.342%0.41627%0.273SS..Hα-helixtrans-65.9-37.2177.8-66.5-50.7129.700112.2E608 W614 K615 A616E608-E612 PolarHBondContact O-N 2.94Å; E612-W614 VanDerWaalsContact C-N 3.32Å; E612-W614 PolarHBondContact O-N 2.98Å; E612-K615 PolarHBondContact O-N 2.81Å; E612-K615 WeakPolarHBondContact OE1-CD 3.4Å; E612-K615 WeakPolarHBondContact OE1-CE 3.42Å; E612-K615 IonicContact OE1-NZ 2.89Å; E612-K615 PolarHBondContact OE1-NZ 2.91Å; E612-K615 IonicContact OE2-NZ 3.82Å; E612-A616 WeakPolarHBondContact O-CB 3.48Å; E612-A616 PolarHBondContact O-N 2.89Å
613A89.5Confident88.4Confident59 Ų5947.3 Ų47.349%0.48826%0.262SS..Hα-helixtrans-61.4-38.8171.800000112.5E609 A610 V611 A617E609-A613 VanDerWaalsContact O-CB 3.27Å; E609-A613 WeakPolarHBondContact O-CB 3.36Å; E609-A613 PolarHBondContact O-N 2.86Å; A610-A613 PolarHBondContact O-N 2.92Å; V611-A613 PolarHBondContact O-N 2.8Å; A613-A617 WeakPolarHBondContact O-CB 3.48Å; A613-A617 PolarHBondContact O-N 2.61Å
614W93.9Very high88.2Confident20 Ų2053.5 Ų53.58%0.07629%0.289CS..Hα-helixtrans-71.2-43.9175-86.9102.2000112.8C519 L523 F540 L542 L547 F583 A610 V611 E612 A616 A617 L618C519-W614 VanDerWaalsContact SG-CE3 3.54Å; C519-W614 WeakPolarHBondContact SG-CZ3 3.24Å; L523-W614 HydrophobicContact CD1-CD2 3.67Å; L523-W614 HydrophobicContact CD1-CE3 3.85Å; L523-W614 HydrophobicContact CD1-CG 4.19Å; L523-W614 HydrophobicContact CD1-CH2 4.12Å; L523-W614 HydrophobicContact CD1-CZ2 3.93Å; L523-W614 HydrophobicContact CD1-CZ3 4.06Å; L523-W614 HydrophobicContact CD2-CD2 4.33Å; L523-W614 HydrophobicContact CD2-CG 4.13Å; L523-W614 HydrophobicContact CG-CD2 4.18Å; L523-W614 HydrophobicContact CG-CZ2 4.01Å; F540-W614 HydrophobicContact CB-CH2 3.46Å; F540-W614 VanDerWaalsContact CB-CH2 3.46Å; F540-W614 HydrophobicContact CB-CZ2 4.09Å; F540-W614 HydrophobicContact CB-CZ3 4.13Å; L542-W614 HydrophobicContact CB-CZ3 3.99Å; L547-W614 HydrophobicContact CD1-CZ3 4.13Å; F583-W614 HydrophobicContact CE1-CB 4.03Å; F583-W614 HydrophobicContact CZ-CB 4.07Å; A610-W614 PolarHBondContact O-N 3Å; V611-W614 PolarHBondContact O-N 2.94Å; V611-W614 VanDerWaalsContact O-N 3.17Å; E612-W614 VanDerWaalsContact C-N 3.32Å; E612-W614 PolarHBondContact O-N 2.98Å; W614-A616 VanDerWaalsContact C-N 3.34Å; W614-A616 PolarHBondContact O-N 2.98Å; W614-A617 WeakPolarHBondContact O-CB 3.34Å; W614-A617 PolarHBondContact O-N 2.92Å; W614-A617 VanDerWaalsContact O-N 3.13Å; W614-L618 WeakPolarHBondContact O-CG 3.22Å; W614-L618 PolarHBondContact O-N 3.26Å
615K92.1Very high87.9Confident15 Ų1557.9 Ų57.97%0.06531%0.309CS..Hα-helixtrans-58.7-45.7173.2-71.4178.4-179.3170.70111.4Q569 S571 F583 V611 E612 A617 L618 V619Q569-K615 PolarHBondContact NE2-O 2.79Å; Q569-K615 VanDerWaalsContact OE1-CA 3.3Å; S571-K615 PolarHBondContact OG-NZ 3.16Å; S571-K615 VanDerWaalsContact OG-NZ 3.17Å; F583-K615 HydrophobicContact CB-CG 4.26Å; F583-K615 HydrophobicContact CG-CG 4.47Å; V611-K615 HydrophobicContact CG1-CD 4.24Å; V611-K615 HydrophobicContact CG1-CG 4.31Å; V611-K615 WeakPolarHBondContact O-CG 3.32Å; V611-K615 PolarHBondContact O-N 2.87Å; E612-K615 PolarHBondContact O-N 2.81Å; E612-K615 WeakPolarHBondContact OE1-CD 3.4Å; E612-K615 WeakPolarHBondContact OE1-CE 3.42Å; E612-K615 IonicContact OE1-NZ 2.89Å; E612-K615 PolarHBondContact OE1-NZ 2.91Å; E612-K615 IonicContact OE2-NZ 3.82Å; K615-A617 VanDerWaalsContact C-N 3.29Å; K615-A617 PolarHBondContact O-N 3.23Å; K615-L618 WeakPolarHBondContact O-CB 3.47Å; K615-L618 PolarHBondContact O-N 3.17Å; K615-V619 WeakPolarHBondContact O-CG2 3.11Å; K615-V619 PolarHBondContact O-N 3.46Å
616A88.6Confident87.3Confident44 Ų4459.5 Ų59.536%0.36432%0.317SS..Hα-helixtrans-64.4-3317600000112.2E612 W614 R620E612-A616 WeakPolarHBondContact O-CB 3.48Å; E612-A616 PolarHBondContact O-N 2.89Å; W614-A616 VanDerWaalsContact C-N 3.34Å; W614-A616 PolarHBondContact O-N 2.98Å; A616-R620 VanDerWaalsContact C-NH1 3.26Å; A616-R620 WeakPolarHBondContact O-CG 3.26Å; A616-R620 PolarHBondContact O-N 3.43Å; A616-R620 PolarHBondContact O-NH1 3.27Å
617A90.4Very high86.1Confident0 Ų060.1 Ų60.10%033%0.327CS..Hα-helixtrans-68.4-40.8172.500000112.1I518 C519 L542 A613 W614 K615 R620 A621I518-A617 HydrophobicContact CG2-CB 3.92Å; C519-A617 HydrophobicContact CB-CB 4.2Å; C519-A617 WeakPolarHBondContact SG-CB 3.23Å; L542-A617 VanDerWaalsContact CD2-C 3.48Å; L542-A617 HydrophobicContact CD2-CB 3.69Å; L542-A617 WeakPolarHBondContact CD2-O 3.11Å; A613-A617 WeakPolarHBondContact O-CB 3.48Å; A613-A617 PolarHBondContact O-N 2.61Å; W614-A617 WeakPolarHBondContact O-CB 3.34Å; W614-A617 PolarHBondContact O-N 2.92Å; W614-A617 VanDerWaalsContact O-N 3.13Å; K615-A617 VanDerWaalsContact C-N 3.29Å; K615-A617 PolarHBondContact O-N 3.23Å; A617-R620 CarbonylContact O-C 3.51Å; A617-R620 WeakPolarHBondContact O-CB 3.39Å; A617-R620 PolarHBondContact O-N 2.82Å; A617-R620 VanDerWaalsContact O-N 3.15Å; A617-A621 PolarHBondContact O-N 2.8Å
618L90.7Very high84.6Confident1 Ų161.3 Ų61.31%0.00534%0.338CS..Hα-helixtrans-62.6-39.8174-77.4160.6000112.5L542 F583 L585 W614 K615 R620 A621 G622 V623L542-L618 HydrophobicContact CD1-CD2 3.86Å; L542-L618 HydrophobicContact CD2-CD2 4.37Å; L542-L618 HydrophobicContact CD2-CG 4.33Å; F583-L618 HydrophobicContact CD2-CD1 3.96Å; F583-L618 HydrophobicContact CE2-CD1 3.46Å; F583-L618 VanDerWaalsContact CE2-CD1 3.46Å; F583-L618 HydrophobicContact CZ-CD1 4.23Å; L585-L618 HydrophobicContact CD1-CD2 4.44Å; L585-L618 HydrophobicContact CD2-CD1 3.92Å; L585-L618 HydrophobicContact CD2-CD2 4.14Å; W614-L618 WeakPolarHBondContact O-CG 3.22Å; W614-L618 PolarHBondContact O-N 3.26Å; K615-L618 WeakPolarHBondContact O-CB 3.47Å; K615-L618 PolarHBondContact O-N 3.17Å; L618-R620 VanDerWaalsContact C-N 3.33Å; L618-R620 PolarHBondContact O-N 2.82Å; L618-A621 CarbonylContact O-C 3.52Å; L618-A621 WeakPolarHBondContact O-CA 3.09Å; L618-A621 WeakPolarHBondContact O-CB 3.39Å; L618-A621 PolarHBondContact O-N 2.97Å; L618-G622 PolarHBondContact O-N 3.48Å; L618-V623 CarbonylContact C-O 3.52Å; L618-V623 HydrophobicContact CB-CB 4.11Å; L618-V623 HydrophobicContact CB-CG1 4.49Å; L618-V623 HydrophobicContact CD2-CB 4.23Å; L618-V623 HydrophobicContact CD2-CG1 4.44Å; L618-V623 HydrophobicContact CD2-CG2 4.15Å; L618-V623 WeakPolarHBondContact O-CB 3.34Å; L618-V623 PolarHBondContact O-N 3.39Å
619V88.2Confident82.7Confident55 Ų5557.3 Ų57.333%0.33334%0.335SS..Hα-helixtrans-61.4-41.2171.6176.60000111.2K615 A621 G622 F624K615-V619 WeakPolarHBondContact O-CG2 3.11Å; K615-V619 PolarHBondContact O-N 3.46Å; V619-A621 PolarHBondContact O-N 3.25Å; V619-G622 PolarHBondContact O-N 2.9Å; V619-G622 VanDerWaalsContact O-N 3.07Å; V619-F624 HydrophobicContact CG1-CD1 4.44Å; V619-F624 HydrophobicContact CG1-CE1 4.45Å
620R81.6Confident80.4Confident149 Ų14958.5 Ų58.556%0.56234%0.338SS*.Hα-helixtrans-64.5-20.4173.4-67.6-170.8-52.8-83.59.3113.3I518 A616 A617 L618I518-R620 HydrophobicContact CG2-CB 4.06Å; A616-R620 VanDerWaalsContact C-NH1 3.26Å; A616-R620 WeakPolarHBondContact O-CG 3.26Å; A616-R620 PolarHBondContact O-N 3.43Å; A616-R620 PolarHBondContact O-NH1 3.27Å; A617-R620 CarbonylContact O-C 3.51Å; A617-R620 WeakPolarHBondContact O-CB 3.39Å; A617-R620 PolarHBondContact O-N 2.82Å; A617-R620 VanDerWaalsContact O-N 3.15Å; L618-R620 VanDerWaalsContact C-N 3.33Å; L618-R620 PolarHBondContact O-N 2.82Å
621A85.7Confident77.7Confident12 Ų1263.1 Ų63.110%0.09937%0.365CS..THydrogen-bonded Turntrans-92.99.3174.800000113.5I518 L542 L564 A617 L618 V619I518-A621 HydrophobicContact CD1-CB 3.44Å; I518-A621 VanDerWaalsContact CD1-CB 3.44Å; L542-A621 HydrophobicContact CD1-CB 4.11Å; L542-A621 HydrophobicContact CD2-CB 4.15Å; L542-A621 HydrophobicContact CG-CB 4.27Å; L564-A621 HydrophobicContact CD1-CB 3.55Å; A617-A621 PolarHBondContact O-N 2.8Å; L618-A621 CarbonylContact O-C 3.52Å; L618-A621 WeakPolarHBondContact O-CA 3.09Å; L618-A621 WeakPolarHBondContact O-CB 3.39Å; L618-A621 PolarHBondContact O-N 2.97Å; V619-A621 PolarHBondContact O-N 3.25Å
622G83.5Confident75.4Confident40 Ų4069.4 Ų69.441%0.41240%0.399SS..THydrogen-bonded Turntrans82.53.8-179.200000115.5L618 V619 F624L618-G622 PolarHBondContact O-N 3.48Å; V619-G622 PolarHBondContact O-N 2.9Å; V619-G622 VanDerWaalsContact O-N 3.07Å; G622-F624 WeakPolarHBondContact O-CD2 3.48Å; G622-F624 VanDerWaalsContact O-CE2 3.23Å; G622-F624 WeakPolarHBondContact O-CE2 3.03Å; G622-F624 PolarHBondContact O-N 3.4Å
623V88.9Confident73.1Confident0 Ų074.3 Ų74.30%042%0.422CS..  trans-88.894.2177.2-1780000109.6L564 L567 Q569 L585 L618L564-V623 HydrophobicContact CB-CG2 3.97Å; L564-V623 HydrophobicContact CD1-CG2 4.39Å; L564-V623 HydrophobicContact CD2-CG2 4Å; L564-V623 HydrophobicContact CG-CG2 4.34Å; L567-V623 HydrophobicContact CB-CG1 4.24Å; L567-V623 HydrophobicContact CB-CG2 4.29Å; Q569-V623 HydrophobicContact CB-CG1 4.05Å; Q569-V623 HydrophobicContact CG-CG1 4.22Å; Q569-V623 PolarHBondContact NE2-O 3.06Å; L585-V623 HydrophobicContact CD2-CG1 3.99Å; L618-V623 CarbonylContact C-O 3.52Å; L618-V623 HydrophobicContact CB-CB 4.11Å; L618-V623 HydrophobicContact CB-CG1 4.49Å; L618-V623 HydrophobicContact CD2-CB 4.23Å; L618-V623 HydrophobicContact CD2-CG1 4.44Å; L618-V623 HydrophobicContact CD2-CG2 4.15Å; L618-V623 WeakPolarHBondContact O-CB 3.34Å; L618-V623 PolarHBondContact O-N 3.39Å
624F86.8Confident70.5Confident130 Ų13081 Ų8157%0.5744%0.443SS*.EExtended strand (participates in β ladder)trans-79.6158.7-177.3-59.6-75.7000113.1K568 Q569 V619 G622K568-F624 WeakPolarHBondContact CA-O 3.3Å; Q569-F624 PolarHBondContact N-O 3.25Å; V619-F624 HydrophobicContact CG1-CD1 4.44Å; V619-F624 HydrophobicContact CG1-CE1 4.45Å; G622-F624 WeakPolarHBondContact O-CD2 3.48Å; G622-F624 VanDerWaalsContact O-CE2 3.23Å; G622-F624 WeakPolarHBondContact O-CE2 3.03Å; G622-F624 PolarHBondContact O-N 3.4Å
625H83.8Confident67.8Low91 Ų9186.8 Ų86.842%0.42148%0.481SS..EExtended strand (participates in β ladder)trans-66.2138.8173-73.892.4000111Q569 P627Q569-H625 CarbonylContact O-C 3.43Å; Q569-H625 VanDerWaalsContact O-CA 3.29Å; Q569-H625 WeakPolarHBondContact O-CA 3.49Å; H625-P627 WeakPolarHBondContact O-CD 3.34Å
626D76.6Confident64.9Low38 Ų3893.4 Ų93.420%0.20352%0.517CS..PPolyproline II helixtrans-75.5120.8174-164.533.7000110.8K568 Q569 H586 S628K568-D626 HydrophobicContact CB-CB 4.18Å; K568-D626 HydrophobicContact CD-CB 3.78Å; K568-D626 WeakPolarHBondContact CD-OD1 3.47Å; K568-D626 WeakPolarHBondContact CE-OD1 3.41Å; K568-D626 IonicContact NZ-OD1 2.68Å; K568-D626 PolarHBondContact NZ-OD1 3.11Å; Q569-D626 PolarHBondContact O-N 3.22Å; H586-D626 IonicContact CE1-OD2 3.06Å; H586-D626 PolarHBondContact CE1-OD2 3.41Å; H586-D626 IonicContact NE2-OD2 2.76Å; D626-S628 PolarHBondContact O-N 3.45Å; D626-S628 PolarHBondContact OD2-OG 3.35Å
627P60.5Low62.4Low113 Ų11398 Ų9873%0.73454%0.535SS*.THydrogen-bonded Turntrans-67.911.3-174.3-22.134.8000116.1H625 G629H625-P627 WeakPolarHBondContact O-CD 3.34Å; P627-G629 VanDerWaalsContact C-N 3.32Å
628S56.5Low59.7Low96 Ų96101 Ų10167%0.67157%0.566SS**THydrogen-bonded Turntrans-85.71-176.658.50000113.9D626D626-S628 PolarHBondContact O-N 3.45Å; D626-S628 PolarHBondContact OD2-OG 3.35Å
629G44.7Very low57.4Low58 Ų58106.7 Ų106.760%0.59860%0.597SS**SBendtrans-117.3132.1173.700000112.2P627P627-G629 VanDerWaalsContact C-N 3.32Å
630K38Very low55.3Low184 Ų184107.7 Ų107.780%0.861%0.606SS**  trans-16132.6-178.5-66.1179.8175.5-177.10118.1D632K630-D632 PolarHBondContact O-N 3.33Å
631P34.2Very low53.4Low129 Ų129107.1 Ų107.184%0.83861%0.614SS**  trans-83.1109.9168.433.3-29.3000110.5
632D39.5Very low51.6Low135 Ų135113.6 Ų113.672%0.72264%0.64SS**  trans-118.6113.2167.9-75.1-47.9000110.1K630K630-D632 PolarHBondContact O-N 3.33Å
633E40.6Very low50.2Low192 Ų192114.6 Ų114.690%0.89764%0.636SS**  trans52.5117.1155.3-55.1-168149.700121.4
634Q35.2Very low48.5Very low198 Ų198118.4 Ų118.493%0.92567%0.667SS**  trans-79.6128.6167.5-67.1167.1-35.200110.7
635T38.5Very low47.1Very low143 Ų143117.8 Ų117.888%0.87767%0.674SS**  trans-102.7129.6150.736.10000109.6D637T635-D637 PolarHBondContact O-N 2.98Å
636D30.6Very low46.7Very low154 Ų154117 Ų11782%0.82467%0.673SS**  trans-86.4106.6-168.9-176.915.5000111.5G638D636-G638 PolarHBondContact OD1-N 2.93Å
637D36.9Very low47Very low140 Ų140119.8 Ų119.875%0.74969%0.693SS**  trans-113.744.5175.7-126.4-21.5000110.6T635 D639T635-D637 PolarHBondContact O-N 2.98Å; D637-D639 PolarHBondContact O-N 3.34Å
638G33.5Very low48.1Very low63 Ų63119 Ų11965%0.64968%0.678SS**THydrogen-bonded Turntrans-64.76-16500000119.2D636D636-G638 PolarHBondContact OD1-N 2.93Å
639D42.1Very low49.5Very low121 Ų121115 Ų11565%0.64765%0.649SS**THydrogen-bonded Turntrans-121-5.3-176.8-148.335.4000115.3D637 K642D637-D639 PolarHBondContact O-N 3.34Å; D639-K642 IonicContact OD1-NZ 3.11Å; D639-K642 PolarHBondContact OD1-NZ 3.42Å
640S42.9Very low51.4Low76 Ų76118.7 Ų118.753%0.53165%0.651SS.*G310 helixtrans-78.7-19.9-179.2-67.90000114.7
641N43.1Very low53.7Low137 Ų137114.4 Ų114.473%0.73363%0.629SS**G310 helixtrans-89.9-1.7-167.4-103.2-10000116.1I643N641-I643 PolarHBondContact O-N 3.49Å
642K47.5Very low56.3Low147 Ų147108.9 Ų108.964%0.63959%0.592SS**G310 helixtrans-79.1-11.6-176.9-70172.9-171.21470115.1D639 T645D639-K642 IonicContact OD1-NZ 3.11Å; D639-K642 PolarHBondContact OD1-NZ 3.42Å; K642-T645 PolarHBondContact O-OG1 3.37Å
643I53.8Low58.7Low62 Ų62103 Ų10332%0.31856%0.561SS.*G310 helixtrans-81.6-23.8177.6-59.9176.3000111.2K388 A391 N641 T645 L649K388-I643 HydrophobicContact CG-CD1 4.41Å; A391-I643 HydrophobicContact CB-CG2 3.89Å; N641-I643 PolarHBondContact O-N 3.49Å; I643-T645 VanDerWaalsContact C-N 3.28Å; I643-T645 PolarHBondContact O-N 3.25Å; I643-L649 HydrophobicContact CG2-CD2 4.31Å
644A52.4Low61.1Low79 Ų7995.6 Ų95.665%0.65353%0.526SS*.THydrogen-bonded Turntrans-79.84.4-17100000115.5
645T59.4Low63.7Low117 Ų11786.2 Ų86.272%0.71848%0.483SS*.THydrogen-bonded Turntrans-104.4-0.9-171.551.40000115.4K642 I643K642-T645 PolarHBondContact O-OG1 3.37Å; I643-T645 VanDerWaalsContact C-N 3.28Å; I643-T645 PolarHBondContact O-N 3.25Å
646D75.3Confident66.2Low76 Ų7679.5 Ų79.541%0.40644%0.442SS..  trans-114.7101.1173.9-179.19.6000111.6K648 L649 E650D646-K648 PolarHBondContact O-N 3.27Å; D646-K648 VanDerWaalsContact O-N 3.15Å; D646-K648 WeakPolarHBondContact OD1-CA 3.1Å; D646-K648 VanDerWaalsContact OD1-CB 3.22Å; D646-K648 WeakPolarHBondContact OD1-CB 3.41Å; D646-K648 PolarHBondContact OD1-N 3.04Å; D646-L649 HydrophobicContact CB-CB 3.91Å; D646-L649 PolarHBondContact O-N 2.89Å; D646-L649 VanDerWaalsContact O-N 3.11Å; D646-L649 WeakPolarHBondContact OD2-CB 3.22Å; D646-L649 PolarHBondContact OD2-N 3.1Å; D646-E650 PolarHBondContact O-N 3.09Å
647P81.7Confident69.1Low95 Ų9573.7 Ų73.762%0.61741%0.408SS*.Hα-helixtrans-59.1-24176-24.734.5000113.9R651P647-R651 WeakPolarHBondContact O-CB 3.44Å; P647-R651 PolarHBondContact O-N 3.5Å
648K83.4Confident71.6Confident98 Ų9867.6 Ų67.643%0.42638%0.375SS..Hα-helixtrans-71.5-47.8175.2-171.3-176.2178.7-179.30110.1G403 L404 D646 R651 Q652G403-K648 PolarHBondContact O-NZ 2.87Å; L404-K648 PolarHBondContact O-NZ 2.88Å; D646-K648 PolarHBondContact O-N 3.27Å; D646-K648 VanDerWaalsContact O-N 3.15Å; D646-K648 WeakPolarHBondContact OD1-CA 3.1Å; D646-K648 VanDerWaalsContact OD1-CB 3.22Å; D646-K648 WeakPolarHBondContact OD1-CB 3.41Å; D646-K648 PolarHBondContact OD1-N 3.04Å; K648-R651 PolarHBondContact O-N 2.72Å; K648-Q652 WeakPolarHBondContact O-CG 3.48Å; K648-Q652 PolarHBondContact O-N 2.98Å
649L86.2Confident74.4Confident11 Ų1165.1 Ų65.16%0.05835%0.347CS..Hα-helixtrans-60.2-45.1176.2-179.561.1000111.3I394 Q395 I643 D646 R651 Q652 V653I394-L649 HydrophobicContact CB-CD1 3.94Å; I394-L649 HydrophobicContact CD1-CD1 3.95Å; I394-L649 HydrophobicContact CG2-CD1 3.62Å; Q395-L649 HydrophobicContact CG-CD2 4.25Å; Q395-L649 VanDerWaalsContact NE2-CD2 3.35Å; I643-L649 HydrophobicContact CG2-CD2 4.31Å; D646-L649 HydrophobicContact CB-CB 3.91Å; D646-L649 PolarHBondContact O-N 2.89Å; D646-L649 VanDerWaalsContact O-N 3.11Å; D646-L649 WeakPolarHBondContact OD2-CB 3.22Å; D646-L649 PolarHBondContact OD2-N 3.1Å; L649-R651 PolarHBondContact O-N 3.39Å; L649-Q652 WeakPolarHBondContact O-CB 3.08Å; L649-Q652 PolarHBondContact O-N 3.24Å; L649-Q652 VanDerWaalsContact O-N 3.11Å; L649-V653 HydrophobicContact CD1-CG2 4.23Å; L649-V653 HydrophobicContact CG-CG2 4.33Å; L649-V653 VanDerWaalsContact O-CG2 3.28Å; L649-V653 WeakPolarHBondContact O-CG2 3.39Å; L649-V653 PolarHBondContact O-N 2.79Å
650E85.7Confident76.8Confident136 Ų13659.4 Ų59.464%0.63632%0.317SS*.Hα-helixtrans-57.5-47.2177.4-174.9176.6-156.400111.9D646 Q652 V653 E654D646-E650 PolarHBondContact O-N 3.09Å; E650-Q652 VanDerWaalsContact C-N 3.34Å; E650-Q652 PolarHBondContact O-N 3.22Å; E650-V653 PolarHBondContact O-N 3.17Å; E650-E654 PolarHBondContact O-N 3.42Å
651R86Confident79Confident94 Ų9457.7 Ų57.736%0.35530%0.302SS..Hα-helixtrans-60.7-40.9174.5-173.8174.3178.4-109.4-8.6112.1E502 N506 P647 K648 L649 I655E502-R651 IonicContact OE1-CZ 2.75Å; E502-R651 IonicContact OE1-NH1 2.67Å; E502-R651 IonicContact OE1-NH2 3.55Å; E502-R651 PolarHBondContact OE1-NH2 3.18Å; N506-R651 PolarHBondContact ND2-NH2 3.31Å; N506-R651 PolarHBondContact OD1-NE 3.05Å; N506-R651 PolarHBondContact OD1-NH2 3.34Å; P647-R651 WeakPolarHBondContact O-CB 3.44Å; P647-R651 PolarHBondContact O-N 3.5Å; K648-R651 PolarHBondContact O-N 2.72Å; L649-R651 PolarHBondContact O-N 3.39Å; R651-I655 HydrophobicContact CG-CD1 4.29Å; R651-I655 VanDerWaalsContact O-CG1 3.24Å; R651-I655 WeakPolarHBondContact O-CG1 3.35Å; R651-I655 PolarHBondContact O-N 2.68Å; R651-I655 VanDerWaalsContact O-N 3.09Å
652Q88.1Confident81.3Confident13 Ų1351.6 Ų51.66%0.06127%0.27CS..Hα-helixtrans-65.1-41.5175.9-71.2-171.7-30.500112.4I394 H398 F405 T406 K648 L649 E650 I655 I656I394-Q652 HydrophobicContact CD1-CB 3.91Å; H398-Q652 PolarHBondContact CE1-OE1 2.93Å; F405-Q652 VanDerWaalsContact C-NE2 3.34Å; F405-Q652 PolarHBondContact O-NE2 2.8Å; T406-Q652 HydrophobicContact CG2-CB 4.18Å; T406-Q652 HydrophobicContact CG2-CG 4.28Å; T406-Q652 WeakPolarHBondContact OG1-CG 3.32Å; K648-Q652 WeakPolarHBondContact O-CG 3.48Å; K648-Q652 PolarHBondContact O-N 2.98Å; L649-Q652 WeakPolarHBondContact O-CB 3.08Å; L649-Q652 PolarHBondContact O-N 3.24Å; L649-Q652 VanDerWaalsContact O-N 3.11Å; E650-Q652 VanDerWaalsContact C-N 3.34Å; E650-Q652 PolarHBondContact O-N 3.22Å; Q652-I655 PolarHBondContact O-N 3.34Å; Q652-I656 WeakPolarHBondContact O-CG1 3.32Å; Q652-I656 PolarHBondContact O-N 2.72Å
653V90.8Very high83.5Confident10 Ų1045 Ų456%0.06124%0.241CC..Hα-helixtrans-60.3-46.9176.9169.10000110.8R387 I390 A391 I394 L649 E650 I656 R657R387-V653 HydrophobicContact CB-CG1 3.81Å; R387-V653 HydrophobicContact CG-CG1 3.8Å; I390-V653 HydrophobicContact CB-CG1 4.29Å; I390-V653 HydrophobicContact CG2-CB 4.18Å; I390-V653 HydrophobicContact CG2-CG1 4.09Å; I390-V653 HydrophobicContact CG2-CG2 4.07Å; A391-V653 HydrophobicContact CB-CG2 3.78Å; I394-V653 HydrophobicContact CD1-CG2 3.78Å; L649-V653 HydrophobicContact CD1-CG2 4.23Å; L649-V653 HydrophobicContact CG-CG2 4.33Å; L649-V653 VanDerWaalsContact O-CG2 3.28Å; L649-V653 WeakPolarHBondContact O-CG2 3.39Å; L649-V653 PolarHBondContact O-N 2.79Å; E650-V653 PolarHBondContact O-N 3.17Å; V653-I656 PolarHBondContact O-N 3.24Å; V653-R657 WeakPolarHBondContact O-CB 3.36Å; V653-R657 PolarHBondContact O-N 2.72Å
654E89.2Confident85.3Confident37 Ų3742.4 Ų42.417%0.17323%0.227CC..Hα-helixtrans-71.3-33.2-178.5-169.451.9-131.500112.3R387 A505 E650 R657 N658R387-E654 IonicContact CZ-OE2 2.67Å; R387-E654 IonicContact NE-OE2 2.76Å; R387-E654 PolarHBondContact NE-OE2 2.64Å; R387-E654 IonicContact NH2-OE2 3.15Å; R387-E654 PolarHBondContact NH2-OE2 2.96Å; R387-E654 VanDerWaalsContact NH2-OE2 3.11Å; A505-E654 HydrophobicContact CB-CB 4.43Å; A505-E654 HydrophobicContact CB-CG 4.38Å; E650-E654 PolarHBondContact O-N 3.42Å; E654-R657 PolarHBondContact O-N 3.41Å; E654-R657 IonicContact OE1-CZ 3.71Å; E654-R657 IonicContact OE1-NE 3.91Å; E654-R657 PolarHBondContact OE1-NE 2.8Å; E654-R657 IonicContact OE1-NH2 3.76Å; E654-R657 WeakPolarHBondContact OE2-CD 3.14Å; E654-R657 IonicContact OE2-NE 3.93Å; E654-R657 PolarHBondContact OE2-NE 2.85Å; E654-N658 WeakPolarHBondContact O-CB 3.18Å; E654-N658 PolarHBondContact O-N 3.01Å; E654-N658 PolarHBondContact O-ND2 3.24Å; E654-N658 PolarHBondContact OE1-ND2 3.24Å
655I90Very high87.1Confident2 Ų244.7 Ų44.71%0.0122%0.223CC..Hα-helixtrans-58.9-51.1169.7-68.7168.8000110.3F498 A501 E502 A505 R651 Q652 R657 N658 L659F498-I655 HydrophobicContact CD2-CG2 4.2Å; F498-I655 HydrophobicContact CE2-CG2 3.74Å; F498-I655 HydrophobicContact CZ-CD1 4.48Å; F498-I655 HydrophobicContact CZ-CG2 4.1Å; A501-I655 HydrophobicContact CB-CG2 4.26Å; E502-I655 HydrophobicContact CB-CD1 4.18Å; E502-I655 HydrophobicContact CB-CG1 4.45Å; E502-I655 HydrophobicContact CG-CD1 4.04Å; A505-I655 HydrophobicContact CB-CD1 4.4Å; A505-I655 HydrophobicContact CB-CG1 3.45Å; A505-I655 VanDerWaalsContact CB-CG1 3.45Å; R651-I655 HydrophobicContact CG-CD1 4.29Å; R651-I655 VanDerWaalsContact O-CG1 3.24Å; R651-I655 WeakPolarHBondContact O-CG1 3.35Å; R651-I655 PolarHBondContact O-N 2.68Å; R651-I655 VanDerWaalsContact O-N 3.09Å; Q652-I655 PolarHBondContact O-N 3.34Å; I655-R657 PolarHBondContact O-N 3Å; I655-N658 PolarHBondContact O-N 3.05Å; I655-L659 HydrophobicContact CG2-CD1 4.07Å; I655-L659 WeakPolarHBondContact O-CG 3.33Å; I655-L659 PolarHBondContact O-N 2.98Å; I655-L659 VanDerWaalsContact O-N 3.09Å
656I91.7Very high88.7Confident2 Ų239.6 Ų39.61%0.0119%0.191CC..Hα-helixtrans-64.4-41.3179.8-66.1-176.2000110.9I390 I394 T406 A410 F411 Q652 V653 N658 L659 V660I390-I656 HydrophobicContact CD1-CG2 4.04Å; I390-I656 HydrophobicContact CG1-CG2 4.05Å; I390-I656 HydrophobicContact CG2-CB 3.77Å; I390-I656 HydrophobicContact CG2-CD1 4.21Å; I390-I656 HydrophobicContact CG2-CG2 3.75Å; I394-I656 HydrophobicContact CD1-CD1 4Å; I394-I656 HydrophobicContact CG1-CD1 3.92Å; T406-I656 HydrophobicContact CG2-CD1 3.77Å; T406-I656 HydrophobicContact CG2-CG1 3.71Å; A410-I656 HydrophobicContact CB-CD1 3.53Å; F411-I656 HydrophobicContact CB-CG2 4.12Å; Q652-I656 WeakPolarHBondContact O-CG1 3.32Å; Q652-I656 PolarHBondContact O-N 2.72Å; V653-I656 PolarHBondContact O-N 3.24Å; I656-N658 VanDerWaalsContact C-N 3.32Å; I656-N658 PolarHBondContact O-N 3.08Å; I656-L659 PolarHBondContact O-N 3.36Å; I656-L659 VanDerWaalsContact O-N 3.13Å; I656-V660 HydrophobicContact CG2-CG2 3.92Å; I656-V660 VanDerWaalsContact O-CG2 3.27Å; I656-V660 WeakPolarHBondContact O-CG2 3.32Å; I656-V660 PolarHBondContact O-N 2.83Å
657R91.2Very high89.6Confident31 Ų3136 Ų3612%0.11717%0.172CC..Hα-helixtrans-56.5-45.2176.4-166.6-144.873.580.514.9111.7E383 L386 R387 I390 V653 E654 I655 V660 D661E383-R657 IonicContact OE1-CZ 3.66Å; E383-R657 IonicContact OE1-NE 2.82Å; E383-R657 IonicContact OE1-NH1 3.46Å; E383-R657 PolarHBondContact OE1-NH1 2.83Å; L386-R657 HydrophobicContact CD2-CG 4.36Å; R387-R657 VanDerWaalsContact CZ-CD 3.47Å; I390-R657 HydrophobicContact CD1-CB 4.08Å; V653-R657 WeakPolarHBondContact O-CB 3.36Å; V653-R657 PolarHBondContact O-N 2.72Å; E654-R657 PolarHBondContact O-N 3.41Å; E654-R657 IonicContact OE1-CZ 3.71Å; E654-R657 IonicContact OE1-NE 3.91Å; E654-R657 PolarHBondContact OE1-NE 2.8Å; E654-R657 IonicContact OE1-NH2 3.76Å; E654-R657 WeakPolarHBondContact OE2-CD 3.14Å; E654-R657 IonicContact OE2-NE 3.93Å; E654-R657 PolarHBondContact OE2-NE 2.85Å; I655-R657 PolarHBondContact O-N 3Å; R657-V660 PolarHBondContact O-N 3.22Å; R657-D661 WeakPolarHBondContact O-CB 3.48Å; R657-D661 PolarHBondContact O-N 3.11Å
658N89.7Confident90Very high12 Ų1232.7 Ų32.76%0.06415%0.15CC..Hα-helixtrans-64.1-38.8176.8-76.6-59000112.8I496 A501 E654 I655 I656 S662I496-N658 HydrophobicContact CD1-CB 4.21Å; I496-N658 WeakPolarHBondContact CD1-O 3.24Å; A501-N658 HydrophobicContact CB-CB 4.1Å; E654-N658 WeakPolarHBondContact O-CB 3.18Å; E654-N658 PolarHBondContact O-N 3.01Å; E654-N658 PolarHBondContact O-ND2 3.24Å; E654-N658 PolarHBondContact OE1-ND2 3.24Å; I655-N658 PolarHBondContact O-N 3.05Å; I656-N658 VanDerWaalsContact C-N 3.32Å; I656-N658 PolarHBondContact O-N 3.08Å; N658-S662 WeakPolarHBondContact O-CB 3.28Å; N658-S662 PolarHBondContact O-N 3.36Å; N658-S662 VanDerWaalsContact O-N 3.1Å
659L92.4Very high90.5Very high12 Ų1233.8 Ų33.86%0.06316%0.155CC..Hα-helixtrans-67-46.2174.3-65.3168.7000111.5F411 F495 I496 F498 A501 I655 I656 D661 S662 Y663F411-L659 HydrophobicContact CD2-CB 3.6Å; F411-L659 HydrophobicContact CE2-CB 3.68Å; F495-L659 HydrophobicContact CE1-CD2 4.18Å; F495-L659 HydrophobicContact CE2-CB 4.43Å; F495-L659 HydrophobicContact CE2-CD2 4.19Å; F495-L659 HydrophobicContact CZ-CB 4.25Å; F495-L659 HydrophobicContact CZ-CD2 3.6Å; F495-L659 HydrophobicContact CZ-CG 4.49Å; I496-L659 HydrophobicContact CG1-CD2 4.28Å; F498-L659 HydrophobicContact CD2-CD1 4.12Å; A501-L659 HydrophobicContact CB-CD1 4.4Å; A501-L659 HydrophobicContact CB-CD2 3.54Å; A501-L659 HydrophobicContact CB-CG 3.63Å; I655-L659 HydrophobicContact CG2-CD1 4.07Å; I655-L659 WeakPolarHBondContact O-CG 3.33Å; I655-L659 PolarHBondContact O-N 2.98Å; I655-L659 VanDerWaalsContact O-N 3.09Å; I656-L659 PolarHBondContact O-N 3.36Å; I656-L659 VanDerWaalsContact O-N 3.13Å; L659-D661 PolarHBondContact O-N 3.22Å; L659-S662 PolarHBondContact O-N 3.39Å; L659-Y663 WeakPolarHBondContact O-CB 3.27Å; L659-Y663 PolarHBondContact O-N 2.95Å
660V91.8Very high90.8Very high0 Ų035.3 Ų35.30%016%0.164CC..Hα-helixtrans-58.7-48.7178.3171.80000110.7F411 T414 V415 I656 R657 S662 Y663 M664F411-V660 HydrophobicContact CD2-CG2 3.91Å; F411-V660 HydrophobicContact CE2-CG2 4.43Å; T414-V660 HydrophobicContact CG2-CG1 4.07Å; T414-V660 HydrophobicContact CG2-CG2 3.74Å; V415-V660 HydrophobicContact CG2-CB 4.47Å; V415-V660 HydrophobicContact CG2-CG1 4.46Å; V415-V660 HydrophobicContact CG2-CG2 4.06Å; I656-V660 HydrophobicContact CG2-CG2 3.92Å; I656-V660 VanDerWaalsContact O-CG2 3.27Å; I656-V660 WeakPolarHBondContact O-CG2 3.32Å; I656-V660 PolarHBondContact O-N 2.83Å; R657-V660 PolarHBondContact O-N 3.22Å; V660-S662 PolarHBondContact O-N 3.36Å; V660-Y663 PolarHBondContact O-N 2.81Å; V660-M664 HydrophobicContact CG1-CG 4.21Å; V660-M664 WeakPolarHBondContact O-CB 3.43Å; V660-M664 WeakPolarHBondContact O-CG 3.36Å; V660-M664 PolarHBondContact O-N 2.88Å
661D88.6Confident91.2Very high41 Ų4128.9 Ų28.922%0.21913%0.134CC..Hα-helixtrans-60-45.6177172.550.2000111.9R657 L659 Y663 K665R657-D661 WeakPolarHBondContact O-CB 3.48Å; R657-D661 PolarHBondContact O-N 3.11Å; L659-D661 PolarHBondContact O-N 3.22Å; D661-Y663 PolarHBondContact O-N 3.34Å; D661-K665 WeakPolarHBondContact O-CD 3.48Å; D661-K665 WeakPolarHBondContact O-CG 3.45Å; D661-K665 PolarHBondContact O-N 3.06Å; D661-K665 VanDerWaalsContact O-N 3.09Å; D661-K665 WeakPolarHBondContact OD1-CE 3.29Å; D661-K665 IonicContact OD1-NZ 3.25Å; D661-K665 PolarHBondContact OD1-NZ 3.17Å; D661-K665 IonicContact OD2-NZ 3.5Å; D661-K665 PolarHBondContact OD2-NZ 3.04Å
662S91.4Very high91.5Very high9 Ų928.3 Ų28.36%0.06313%0.132CC..Hα-helixtrans-60.4-43175.7-174.10000112.5I496 N658 L659 V660 I666I496-S662 PolarHBondContact N-OG 3.06Å; I496-S662 VanDerWaalsContact N-OG 3.12Å; N658-S662 WeakPolarHBondContact O-CB 3.28Å; N658-S662 PolarHBondContact O-N 3.36Å; N658-S662 VanDerWaalsContact O-N 3.1Å; L659-S662 PolarHBondContact O-N 3.39Å; V660-S662 PolarHBondContact O-N 3.36Å; S662-I666 WeakPolarHBondContact O-CG1 3.49Å
663Y94.1Very high91.8Very high9 Ų931.3 Ų31.34%0.03515%0.149CC..Hα-helixtrans-72.2-42.9-178.8-161.8-95.8000111.8F411 V415 I419 M488 N489 F495 L659 V660 D661 K665 I666 V667F411-Y663 HydrophobicContact CZ-CD2 4.21Å; F411-Y663 HydrophobicContact CZ-CG 4.03Å; V415-Y663 HydrophobicContact CG1-CD1 3.47Å; V415-Y663 VanDerWaalsContact CG1-CD1 3.47Å; V415-Y663 HydrophobicContact CG1-CE1 3.8Å; V415-Y663 HydrophobicContact CG1-CG 4.46Å; V415-Y663 HydrophobicContact CG2-CD1 4.25Å; I419-Y663 HydrophobicContact CD1-CE1 4.19Å; M488-Y663 WeakPolarHBondContact CA-OH 3.41Å; M488-Y663 HydrophobicContact CB-CE2 4.45Å; M488-Y663 HydrophobicContact CG-CE1 4.41Å; N489-Y663 PolarHBondContact N-OH 2.83Å; N489-Y663 VanDerWaalsContact N-OH 3.08Å; F495-Y663 HydrophobicContact CD2-CD2 4.01Å; F495-Y663 HydrophobicContact CE2-CD2 4.06Å; F495-Y663 HydrophobicContact CE2-CG 4.48Å; L659-Y663 WeakPolarHBondContact O-CB 3.27Å; L659-Y663 PolarHBondContact O-N 2.95Å; V660-Y663 PolarHBondContact O-N 2.81Å; D661-Y663 PolarHBondContact O-N 3.34Å; Y663-K665 VanDerWaalsContact C-N 3.27Å; Y663-K665 PolarHBondContact O-N 3.47Å; Y663-I666 WeakPolarHBondContact O-CB 3.45Å; Y663-I666 PolarHBondContact O-N 3.35Å; Y663-V667 HydrophobicContact CD1-CG2 3.71Å; Y663-V667 HydrophobicContact CE1-CG2 3.4Å; Y663-V667 VanDerWaalsContact CE1-CG2 3.4Å; Y663-V667 PolarHBondContact O-N 2.82Å
664M91.5Very high92.1Very high6 Ų634.1 Ų34.13%0.0316%0.162CC..Hα-helixtrans-64.2-30.5178.7-73.7-55-58.700112.8F381 Q418 I419 L422 V660 I666 T668F381-M664 HydrophobicContact CZ-CE 4.47Å; F381-M664 HydrophobicContact CZ-CG 4.36Å; Q418-M664 HydrophobicContact CB-CE 3.76Å; Q418-M664 HydrophobicContact CB-CG 4.09Å; Q418-M664 HydrophobicContact CB-SD 3.58Å; Q418-M664 VanDerWaalsContact CB-SD 3.58Å; I419-M664 HydrophobicContact CG1-CE 4.47Å; I419-M664 HydrophobicContact CG1-SD 3.86Å; L422-M664 HydrophobicContact CD1-CE 4.15Å; L422-M664 HydrophobicContact CG-CE 4.47Å; V660-M664 HydrophobicContact CG1-CG 4.21Å; V660-M664 WeakPolarHBondContact O-CB 3.43Å; V660-M664 WeakPolarHBondContact O-CG 3.36Å; V660-M664 PolarHBondContact O-N 2.88Å; M664-I666 VanDerWaalsContact C-N 3.34Å; M664-T668 VanDerWaalsContact O-CB 3.22Å; M664-T668 WeakPolarHBondContact O-CB 3.48Å; M664-T668 PolarHBondContact O-N 3.18Å; M664-T668 PolarHBondContact O-OG1 3.23Å
665K90.3Very high92.5Very high127 Ų12732.4 Ų32.455%0.55215%0.154SC*.Hα-helixtrans-61.4-40.5170.8-79.3164.4176.11590112.4D661 Y663 K669D661-K665 WeakPolarHBondContact O-CD 3.48Å; D661-K665 WeakPolarHBondContact O-CG 3.45Å; D661-K665 PolarHBondContact O-N 3.06Å; D661-K665 VanDerWaalsContact O-N 3.09Å; D661-K665 WeakPolarHBondContact OD1-CE 3.29Å; D661-K665 IonicContact OD1-NZ 3.25Å; D661-K665 PolarHBondContact OD1-NZ 3.17Å; D661-K665 IonicContact OD2-NZ 3.5Å; D661-K665 PolarHBondContact OD2-NZ 3.04Å; Y663-K665 VanDerWaalsContact C-N 3.27Å; Y663-K665 PolarHBondContact O-N 3.47Å; K665-K669 VanDerWaalsContact O-CB 3.3Å; K665-K669 WeakPolarHBondContact O-CB 3.42Å; K665-K669 PolarHBondContact O-N 2.88Å; K665-K669 VanDerWaalsContact O-N 3.08Å
666I93.5Very high92.8Very high11 Ų1133 Ų336%0.05616%0.158CC..Hα-helixtrans-66.9-52.3176.3-59.1164.1000110.1H492 D494 F495 S662 Y663 M664 T668 K669 T670H492-I666 HydrophobicContact CB-CD1 4.32Å; D494-I666 HydrophobicContact CB-CD1 4.06Å; D494-I666 HydrophobicContact CB-CG1 3.87Å; F495-I666 HydrophobicContact CB-CD1 3.77Å; F495-I666 HydrophobicContact CD2-CD1 4.34Å; S662-I666 WeakPolarHBondContact O-CG1 3.49Å; Y663-I666 WeakPolarHBondContact O-CB 3.45Å; Y663-I666 PolarHBondContact O-N 3.35Å; M664-I666 VanDerWaalsContact C-N 3.34Å; I666-T668 VanDerWaalsContact C-N 3.32Å; I666-T668 PolarHBondContact O-N 2.7Å; I666-K669 WeakPolarHBondContact O-CB 3.34Å; I666-K669 PolarHBondContact O-N 2.89Å; I666-K669 VanDerWaalsContact O-N 3.16Å; I666-T670 PolarHBondContact O-N 3.17Å; I666-T670 PolarHBondContact O-OG1 2.89Å
667V93.8Very high93.1Very high0 Ų038.2 Ų38.20%018%0.181CC..Hα-helixtrans-60.4-42.4-179.6-177.50000111.2I419 L422 Q484 Y663 K669 T670 Q671I419-V667 HydrophobicContact CD1-CG1 4.48Å; I419-V667 HydrophobicContact CD1-CG2 4.09Å; I419-V667 HydrophobicContact CG1-CG1 4.19Å; I419-V667 HydrophobicContact CG1-CG2 4.37Å; L422-V667 HydrophobicContact CD1-CG1 3.77Å; Q484-V667 HydrophobicContact CB-CG1 4.37Å; Q484-V667 HydrophobicContact CG-CG1 4.16Å; Y663-V667 HydrophobicContact CD1-CG2 3.71Å; Y663-V667 HydrophobicContact CE1-CG2 3.4Å; Y663-V667 VanDerWaalsContact CE1-CG2 3.4Å; Y663-V667 PolarHBondContact O-N 2.82Å; V667-K669 VanDerWaalsContact C-N 3.34Å; V667-K669 PolarHBondContact O-N 2.83Å; V667-T670 PolarHBondContact O-N 2.94Å; V667-Q671 WeakPolarHBondContact O-CB 3.24Å; V667-Q671 PolarHBondContact O-N 3.13Å
668T91.5Very high93.4Very high26 Ų2637.7 Ų37.716%0.1618%0.18CC..Hα-helixtrans-66.2-35178.6-54.40000112.4L376 M664 I666 R672L376-T668 HydrophobicContact CB-CG2 4.47Å; L376-T668 HydrophobicContact CD1-CG2 4.46Å; M664-T668 VanDerWaalsContact O-CB 3.22Å; M664-T668 WeakPolarHBondContact O-CB 3.48Å; M664-T668 PolarHBondContact O-N 3.18Å; M664-T668 PolarHBondContact O-OG1 3.23Å; I666-T668 VanDerWaalsContact C-N 3.32Å; I666-T668 PolarHBondContact O-N 2.7Å; T668-R672 VanDerWaalsContact O-CB 3.3Å; T668-R672 WeakPolarHBondContact O-CB 3.4Å; T668-R672 PolarHBondContact O-N 2.78Å
669K92.2Very high93.8Very high121 Ų12137.1 Ų37.153%0.52618%0.177SC..Hα-helixtrans-63.6-47.7172.7174.9-178169.6-174.20110.5D494 K665 I666 V667 R672 D673D494-K669 IonicContact OD2-NZ 2.78Å; D494-K669 PolarHBondContact OD2-NZ 2.89Å; K665-K669 VanDerWaalsContact O-CB 3.3Å; K665-K669 WeakPolarHBondContact O-CB 3.42Å; K665-K669 PolarHBondContact O-N 2.88Å; K665-K669 VanDerWaalsContact O-N 3.08Å; I666-K669 WeakPolarHBondContact O-CB 3.34Å; I666-K669 PolarHBondContact O-N 2.89Å; I666-K669 VanDerWaalsContact O-N 3.16Å; V667-K669 VanDerWaalsContact C-N 3.34Å; V667-K669 PolarHBondContact O-N 2.83Å; K669-R672 PolarHBondContact O-N 2.91Å; K669-D673 PolarHBondContact O-N 2.97Å
670T94.1Very high94Very high43 Ų4339.9 Ų39.926%0.26419%0.19SC..Hα-helixtrans-62.4-45.5175.8-57.30000112.1I666 V667 R672 D673 M674I666-T670 PolarHBondContact O-N 3.17Å; I666-T670 PolarHBondContact O-OG1 2.89Å; V667-T670 PolarHBondContact O-N 2.94Å; T670-R672 VanDerWaalsContact C-N 3.34Å; T670-R672 PolarHBondContact O-N 3.27Å; T670-D673 PolarHBondContact O-N 2.7Å; T670-M674 HydrophobicContact CG2-CG 3.97Å; T670-M674 WeakPolarHBondContact O-CB 3.17Å; T670-M674 WeakPolarHBondContact O-CG 3.45Å; T670-M674 PolarHBondContact O-N 2.91Å
671Q93.6Very high94.2Very high1 Ų145.4 Ų45.41%0.00522%0.216CC..Hα-helixtrans-63.2-40.3-179.5-162.169.24.100112F372 S426 V667 D673 V675F372-Q671 HydrophobicContact CZ-CG 4.31Å; S426-Q671 PolarHBondContact OG-NE2 2.99Å; V667-Q671 WeakPolarHBondContact O-CB 3.24Å; V667-Q671 PolarHBondContact O-N 3.13Å; Q671-D673 VanDerWaalsContact C-N 3.26Å; Q671-D673 PolarHBondContact O-N 2.77Å; Q671-V675 HydrophobicContact CG-CG2 4.01Å; Q671-V675 VanDerWaalsContact NE2-CG2 3.35Å; Q671-V675 WeakPolarHBondContact O-CB 3.26Å; Q671-V675 WeakPolarHBondContact O-CG2 3.29Å; Q671-V675 PolarHBondContact O-N 3.33Å; Q671-V675 VanDerWaalsContact O-N 3.16Å
672R92.6Very high94.6Very high82 Ų8245.7 Ų45.731%0.30922%0.216SC..Hα-helixtrans-62.8-30.5177-170.5-175.8-60.4161.13.3113.1L376 T668 K669 T670 P676L376-R672 HydrophobicContact CD1-CB 4.21Å; T668-R672 VanDerWaalsContact O-CB 3.3Å; T668-R672 WeakPolarHBondContact O-CB 3.4Å; T668-R672 PolarHBondContact O-N 2.78Å; K669-R672 PolarHBondContact O-N 2.91Å; T670-R672 VanDerWaalsContact C-N 3.34Å; T670-R672 PolarHBondContact O-N 3.27Å; R672-P676 VanDerWaalsContact O-CD 3.24Å; R672-P676 WeakPolarHBondContact O-CD 3.46Å; R672-P676 WeakPolarHBondContact O-CG 3.38Å
673D94.2Very high94.9Very high76 Ų7645.2 Ų45.241%0.40621%0.213SC..Hα-helixtrans-90.4-43.2-179.3179.867000112.4K669 T670 Q671 K677K669-D673 PolarHBondContact O-N 2.97Å; T670-D673 PolarHBondContact O-N 2.7Å; Q671-D673 VanDerWaalsContact C-N 3.26Å; Q671-D673 PolarHBondContact O-N 2.77Å; D673-K677 WeakPolarHBondContact O-CD 3.38Å; D673-K677 VanDerWaalsContact O-CG 3.3Å; D673-K677 WeakPolarHBondContact O-CG 3.42Å; D673-K677 WeakPolarHBondContact OD1-CE 3.33Å; D673-K677 IonicContact OD1-NZ 2.72Å; D673-K677 PolarHBondContact OD1-NZ 3.04Å; D673-K677 WeakPolarHBondContact OD2-CE 3.44Å; D673-K677 IonicContact OD2-NZ 2.65Å; D673-K677 PolarHBondContact OD2-NZ 2.77Å
674M96.8Very high94.9Very high69 Ų6944.9 Ų44.934%0.3421%0.211SC..Hα-helixtrans-77.1-37.4-174.3-70.1-60.6-63.400113.8L480 T670 K677 I678L480-M674 HydrophobicContact CD1-CB 4.25Å; L480-M674 HydrophobicContact CD1-CG 4.48Å; L480-M674 HydrophobicContact CD2-CB 3.66Å; T670-M674 HydrophobicContact CG2-CG 3.97Å; T670-M674 WeakPolarHBondContact O-CB 3.17Å; T670-M674 WeakPolarHBondContact O-CG 3.45Å; T670-M674 PolarHBondContact O-N 2.91Å; M674-K677 PolarHBondContact O-N 3.46Å; M674-I678 WeakPolarHBondContact O-CG1 3.18Å; M674-I678 PolarHBondContact O-N 3.27Å
675V97Very high95.1Very high0 Ų047.8 Ų47.80%023%0.227CC..Hα-helixtrans-62.5-49.5-178.6168.80000112F372 C429 I477 L480 Q671 K677 I678 I679F372-V675 HydrophobicContact CE1-CB 3.74Å; F372-V675 HydrophobicContact CE1-CG1 3.92Å; F372-V675 HydrophobicContact CE1-CG2 4.36Å; F372-V675 HydrophobicContact CE2-CG1 4.45Å; F372-V675 HydrophobicContact CZ-CB 3.79Å; F372-V675 HydrophobicContact CZ-CG1 3.82Å; F372-V675 HydrophobicContact CZ-CG2 3.96Å; C429-V675 HydrophobicContact CB-CG1 4.31Å; I477-V675 HydrophobicContact CD1-CG1 4.06Å; I477-V675 HydrophobicContact CG2-CG2 4.4Å; L480-V675 HydrophobicContact CD2-CG2 4.09Å; Q671-V675 HydrophobicContact CG-CG2 4.01Å; Q671-V675 VanDerWaalsContact NE2-CG2 3.35Å; Q671-V675 WeakPolarHBondContact O-CB 3.26Å; Q671-V675 WeakPolarHBondContact O-CG2 3.29Å; Q671-V675 PolarHBondContact O-N 3.33Å; Q671-V675 VanDerWaalsContact O-N 3.16Å; V675-K677 VanDerWaalsContact C-N 3.3Å; V675-K677 PolarHBondContact O-N 3.42Å; V675-I678 PolarHBondContact O-N 3.26Å; V675-I679 HydrophobicContact CG1-CD1 3.8Å; V675-I679 WeakPolarHBondContact O-CG1 3.17Å; V675-I679 PolarHBondContact O-N 2.88Å
676P96.7Very high95.3Very high15 Ų1544.9 Ų44.910%0.09722%0.216CC..Hα-helixtrans-58.1-38.6173.3-27.637.3000113.5F368 F372 R672 I679 M680F368-P676 HydrophobicContact CB-CB 4.14Å; F368-P676 HydrophobicContact CB-CG 4.03Å; F368-P676 HydrophobicContact CD1-CB 3.76Å; F368-P676 HydrophobicContact CD1-CG 3.92Å; F368-P676 HydrophobicContact CD2-CB 4.08Å; F368-P676 HydrophobicContact CE1-CB 4.11Å; F368-P676 HydrophobicContact CE2-CB 4.4Å; F368-P676 HydrophobicContact CG-CB 3.75Å; F368-P676 HydrophobicContact CG-CG 4.05Å; F368-P676 HydrophobicContact CZ-CB 4.42Å; F372-P676 HydrophobicContact CD1-CG 4.5Å; R672-P676 VanDerWaalsContact O-CD 3.24Å; R672-P676 WeakPolarHBondContact O-CD 3.46Å; R672-P676 WeakPolarHBondContact O-CG 3.38Å; P676-I679 PolarHBondContact O-N 2.68Å; P676-M680 WeakPolarHBondContact O-CB 3.21Å; P676-M680 VanDerWaalsContact O-CG 3.26Å; P676-M680 WeakPolarHBondContact O-CG 3.44Å; P676-M680 PolarHBondContact O-N 2.96Å
677K97.5Very high95.4Very high112 Ų11244.4 Ų44.449%0.48721%0.213SC..Hα-helixtrans-65.7-41.9178.4-72.4173.3-175.4173.70112.5D673 M674 V675 M680 H681D673-K677 WeakPolarHBondContact O-CD 3.38Å; D673-K677 VanDerWaalsContact O-CG 3.3Å; D673-K677 WeakPolarHBondContact O-CG 3.42Å; D673-K677 WeakPolarHBondContact OD1-CE 3.33Å; D673-K677 IonicContact OD1-NZ 2.72Å; D673-K677 PolarHBondContact OD1-NZ 3.04Å; D673-K677 WeakPolarHBondContact OD2-CE 3.44Å; D673-K677 IonicContact OD2-NZ 2.65Å; D673-K677 PolarHBondContact OD2-NZ 2.77Å; M674-K677 PolarHBondContact O-N 3.46Å; V675-K677 VanDerWaalsContact C-N 3.3Å; V675-K677 PolarHBondContact O-N 3.42Å; K677-M680 PolarHBondContact O-N 3.19Å; K677-H681 WeakPolarHBondContact O-CB 3.24Å; K677-H681 PolarHBondContact O-N 2.68Å
678I97.9Very high95.4Very high19 Ų1946.6 Ų46.610%0.09722%0.222CC..Hα-helixtrans-63-47.2175.8-68.9163.7000110.2T473 Q476 I477 L480 M674 V675 H681 Q682T473-I678 HydrophobicContact CG2-CG2 4.25Å; Q476-I678 HydrophobicContact CB-CG2 4Å; Q476-I678 HydrophobicContact CG-CD1 4.3Å; Q476-I678 HydrophobicContact CG-CG1 4.39Å; Q476-I678 HydrophobicContact CG-CG2 3.66Å; I477-I678 HydrophobicContact CD1-CG2 4.48Å; I477-I678 HydrophobicContact CG1-CB 4.44Å; I477-I678 HydrophobicContact CG1-CD1 4.4Å; I477-I678 HydrophobicContact CG1-CG2 3.98Å; L480-I678 HydrophobicContact CB-CD1 4.21Å; L480-I678 HydrophobicContact CD2-CD1 3.79Å; L480-I678 HydrophobicContact CG-CD1 4.47Å; M674-I678 WeakPolarHBondContact O-CG1 3.18Å; M674-I678 PolarHBondContact O-N 3.27Å; V675-I678 PolarHBondContact O-N 3.26Å; I678-H681 PolarHBondContact O-N 3.26Å; I678-Q682 WeakPolarHBondContact O-CB 3.2Å; I678-Q682 PolarHBondContact O-N 3.38Å
679I97.8Very high95.6Very high0 Ų049.2 Ų49.20%024%0.239CC..Hα-helixtrans-63.2-44.4178.1-62.6166.9000111.1F368 C429 V430 V433 T473 I477 V675 P676 H681 L683 I684F368-I679 HydrophobicContact CE1-CB 4.06Å; F368-I679 HydrophobicContact CE1-CD1 3.89Å; F368-I679 HydrophobicContact CE1-CG2 4.01Å; F368-I679 HydrophobicContact CZ-CB 4.08Å; F368-I679 HydrophobicContact CZ-CG2 3.85Å; C429-I679 HydrophobicContact CB-CD1 4.31Å; V430-I679 HydrophobicContact CG2-CD1 4.02Å; V430-I679 HydrophobicContact CG2-CG1 4.18Å; V433-I679 HydrophobicContact CB-CG2 4.14Å; V433-I679 HydrophobicContact CG1-CG2 3.79Å; V433-I679 HydrophobicContact CG2-CG2 4.26Å; T473-I679 HydrophobicContact CG2-CB 4.41Å; T473-I679 HydrophobicContact CG2-CG1 3.82Å; I477-I679 HydrophobicContact CD1-CD1 4.2Å; I477-I679 HydrophobicContact CD1-CG1 3.94Å; V675-I679 HydrophobicContact CG1-CD1 3.8Å; V675-I679 WeakPolarHBondContact O-CG1 3.17Å; V675-I679 PolarHBondContact O-N 2.88Å; P676-I679 PolarHBondContact O-N 2.68Å; I679-H681 VanDerWaalsContact C-N 3.33Å; I679-H681 PolarHBondContact O-N 2.85Å; I679-L683 HydrophobicContact CG2-CB 4.37Å; I679-L683 HydrophobicContact CG2-CD2 4.15Å; I679-L683 WeakPolarHBondContact O-CA 3.22Å; I679-L683 VanDerWaalsContact O-CB 3.27Å; I679-L683 WeakPolarHBondContact O-CB 3.43Å; I679-L683 PolarHBondContact O-N 3.5Å; I679-I684 HydrophobicContact CG2-CD1 4.5Å; I679-I684 PolarHBondContact O-N 2.83Å; I679-I684 VanDerWaalsContact O-N 3.15Å
680M96.2Very high95.8Very high71 Ų7143.7 Ų43.735%0.3522%0.215SC..Iπ-helixtrans-59.1-43.6175.4-78.8-66.2-58.800112.1F368 P676 K677 I684 N685F368-M680 HydrophobicContact CE2-CG 3.95Å; F368-M680 HydrophobicContact CE2-SD 4Å; F368-M680 HydrophobicContact CZ-CG 4.28Å; P676-M680 WeakPolarHBondContact O-CB 3.21Å; P676-M680 VanDerWaalsContact O-CG 3.26Å; P676-M680 WeakPolarHBondContact O-CG 3.44Å; P676-M680 PolarHBondContact O-N 2.96Å; K677-M680 PolarHBondContact O-N 3.19Å; M680-I684 HydrophobicContact CE-CG2 4.46Å; M680-I684 HydrophobicContact SD-CB 4.35Å; M680-I684 HydrophobicContact SD-CD1 3.52Å; M680-I684 VanDerWaalsContact SD-CD1 3.52Å; M680-I684 HydrophobicContact SD-CG2 4.4Å; M680-N685 WeakPolarHBondContact O-CB 3.48Å; M680-N685 PolarHBondContact O-N 3.43Å; M680-N685 PolarHBondContact O-ND2 2.86Å
681H97.2Very high95.8Very high115 Ų11541.8 Ų41.853%0.53220%0.203SC..Iπ-helixtrans-73.8-56.7-177.8-179.229.9000112.8K677 I678 I679K677-H681 WeakPolarHBondContact O-CB 3.24Å; K677-H681 PolarHBondContact O-N 2.68Å; I678-H681 PolarHBondContact O-N 3.26Å; I679-H681 VanDerWaalsContact C-N 3.33Å; I679-H681 PolarHBondContact O-N 2.85Å
682Q96.8Very high95.7Very high47 Ų4749.6 Ų49.622%0.2224%0.237CC..Iπ-helixtrans-85.1-20.3-170-70.6-174.4-22.400114.4L469 I678 E686L469-Q682 WeakPolarHBondContact CD2-O 3.42Å; I678-Q682 WeakPolarHBondContact O-CB 3.2Å; I678-Q682 PolarHBondContact O-N 3.38Å; Q682-E686 WeakPolarHBondContact O-CB 3.21Å; Q682-E686 WeakPolarHBondContact O-CG 3.3Å
683L96.9Very high95.6Very high0 Ų047.7 Ų47.70%024%0.243CC..Iπ-helixtrans-107.5-65.2177.3-174.364.5000110.9V433 V434 L437 L469 I679 I687V433-L683 HydrophobicContact CG1-CD2 4.14Å; V434-L683 HydrophobicContact CG2-CD2 3.71Å; L437-L683 HydrophobicContact CD1-CD1 4.44Å; L437-L683 HydrophobicContact CD1-CD2 3.62Å; L437-L683 HydrophobicContact CD1-CG 3.73Å; L469-L683 HydrophobicContact CB-CD1 3.57Å; I679-L683 HydrophobicContact CG2-CB 4.37Å; I679-L683 HydrophobicContact CG2-CD2 4.15Å; I679-L683 WeakPolarHBondContact O-CA 3.22Å; I679-L683 VanDerWaalsContact O-CB 3.27Å; I679-L683 WeakPolarHBondContact O-CB 3.43Å; I679-L683 PolarHBondContact O-N 3.5Å; L683-I687 HydrophobicContact CD1-CD1 3.78Å; L683-I687 HydrophobicContact CG-CD1 4.03Å; L683-I687 WeakPolarHBondContact O-CB 3.35Å; L683-I687 WeakPolarHBondContact O-CD1 3.5Å; L683-I687 WeakPolarHBondContact O-CG1 3.45Å; L683-I687 PolarHBondContact O-N 3.1Å
684I95.1Very high95.6Very high1 Ų148 Ų481%0.00524%0.244CC..Iπ-helixtrans-70-47.2-167.5-65.3167.9000112.2I346 I364 F368 V433 L437 I679 M680 I687 K688I346-I684 HydrophobicContact CG2-CG2 3.75Å; I364-I684 HydrophobicContact CD1-CD1 4.27Å; I364-I684 HydrophobicContact CG2-CD1 3.86Å; F368-I684 HydrophobicContact CZ-CD1 4.36Å; V433-I684 HydrophobicContact CG1-CD1 4Å; V433-I684 HydrophobicContact CG1-CG1 4.39Å; L437-I684 HydrophobicContact CD1-CG1 4.1Å; L437-I684 HydrophobicContact CD2-CG1 4.3Å; I679-I684 HydrophobicContact CG2-CD1 4.5Å; I679-I684 PolarHBondContact O-N 2.83Å; I679-I684 VanDerWaalsContact O-N 3.15Å; M680-I684 HydrophobicContact CE-CG2 4.46Å; M680-I684 HydrophobicContact SD-CB 4.35Å; M680-I684 HydrophobicContact SD-CD1 3.52Å; M680-I684 VanDerWaalsContact SD-CD1 3.52Å; M680-I684 HydrophobicContact SD-CG2 4.4Å; I684-I687 PolarHBondContact O-N 3.16Å; I684-K688 PolarHBondContact O-N 3.12Å; I684-K688 VanDerWaalsContact O-N 3.14Å
685N95Very high95.4Very high68 Ų6844.7 Ų44.736%0.36423%0.228SC..Iπ-helixtrans-71.3-37.6179.9-69.4-16.8000111.8M680 K688 T689M680-N685 WeakPolarHBondContact O-CB 3.48Å; M680-N685 PolarHBondContact O-N 3.43Å; M680-N685 PolarHBondContact O-ND2 2.86Å; N685-K688 PolarHBondContact O-N 3.31Å; N685-T689 PolarHBondContact O-N 3.46Å; N685-T689 PolarHBondContact O-OG1 3.05Å; N685-T689 VanDerWaalsContact O-OG1 3.09Å
686E96Very high95.1Very high66 Ų6646.5 Ų46.531%0.30824%0.238SC..Hα-helixtrans-63.3-38.4173.8-75.3-58.6120.300112.8R465 L469 Q682 T689 F690R465-E686 IonicContact NH2-OE2 2.68Å; L469-E686 HydrophobicContact CD1-CB 3.66Å; L469-E686 HydrophobicContact CD2-CB 4Å; L469-E686 HydrophobicContact CD2-CG 4.37Å; L469-E686 HydrophobicContact CG-CB 4.48Å; Q682-E686 WeakPolarHBondContact O-CB 3.21Å; Q682-E686 WeakPolarHBondContact O-CG 3.3Å; E686-T689 PolarHBondContact O-N 3.49Å; E686-F690 VanDerWaalsContact O-CB 3.25Å; E686-F690 WeakPolarHBondContact O-CB 3.31Å; E686-F690 PolarHBondContact O-N 3.23Å
687I95.4Very high94.9Very high1 Ų149.6 Ų49.61%0.00526%0.257CS..Hα-helixtrans-62.6-45.8171.9-69.6161.2000110.6F342 L437 V466 L469 L683 I684 T689 F690 L691F342-I687 HydrophobicContact CE1-CG2 3.67Å; F342-I687 HydrophobicContact CZ-CG2 3.84Å; L437-I687 HydrophobicContact CD1-CD1 3.86Å; V466-I687 HydrophobicContact CG2-CD1 3.79Å; V466-I687 HydrophobicContact CG2-CG1 4.34Å; L469-I687 HydrophobicContact CD1-CG1 3.71Å; L683-I687 HydrophobicContact CD1-CD1 3.78Å; L683-I687 HydrophobicContact CG-CD1 4.03Å; L683-I687 WeakPolarHBondContact O-CB 3.35Å; L683-I687 WeakPolarHBondContact O-CD1 3.5Å; L683-I687 WeakPolarHBondContact O-CG1 3.45Å; L683-I687 PolarHBondContact O-N 3.1Å; I684-I687 PolarHBondContact O-N 3.16Å; I687-T689 VanDerWaalsContact C-N 3.35Å; I687-T689 PolarHBondContact O-N 3.35Å; I687-F690 WeakPolarHBondContact O-CB 3.35Å; I687-F690 PolarHBondContact O-N 2.89Å; I687-L691 HydrophobicContact CG2-CD1 3.99Å; I687-L691 HydrophobicContact CG2-CG 4.2Å; I687-L691 VanDerWaalsContact O-CG 3.29Å; I687-L691 WeakPolarHBondContact O-CG 3.35Å; I687-L691 PolarHBondContact O-N 3.47Å
688K93.8Very high94.5Very high45 Ų4548 Ų4820%0.19625%0.25CS..Hα-helixtrans-59.9-43.1177.2-72.9179.2174.7-175.70112.3S347 I684 N685 K692S347-K688 PolarHBondContact OG-NZ 3.09Å; I684-K688 PolarHBondContact O-N 3.12Å; I684-K688 VanDerWaalsContact O-N 3.14Å; N685-K688 PolarHBondContact O-N 3.31Å; K688-K692 WeakPolarHBondContact O-CB 3.48Å; K688-K692 PolarHBondContact O-N 2.91Å
689T95.3Very high94.2Very high82 Ų8247 Ų4750%0.50325%0.246SC..Hα-helixtrans-61.6-46.2174.4-58.60000111.3N685 E686 I687 K692 G693N685-T689 PolarHBondContact O-N 3.46Å; N685-T689 PolarHBondContact O-OG1 3.05Å; N685-T689 VanDerWaalsContact O-OG1 3.09Å; E686-T689 PolarHBondContact O-N 3.49Å; I687-T689 VanDerWaalsContact C-N 3.35Å; I687-T689 PolarHBondContact O-N 3.35Å; T689-K692 PolarHBondContact O-N 3.36Å; T689-G693 PolarHBondContact O-N 3.21Å
690F95.8Very high93.6Very high4 Ų451.3 Ų51.32%0.01826%0.262CS..Hα-helixtrans-59.7-46.1178.1175-102.3000112.8V461 V462 R465 E686 I687 K692 D694 L695 K698V461-F690 HydrophobicContact CG1-CE1 4.06Å; V461-F690 HydrophobicContact CG1-CZ 3.66Å; V462-F690 HydrophobicContact CG2-CE1 4.42Å; R465-F690 HydrophobicContact CB-CD1 4.07Å; R465-F690 HydrophobicContact CB-CE1 3.97Å; R465-F690 HydrophobicContact CB-CG 4.44Å; R465-F690 HydrophobicContact CB-CZ 4.29Å; R465-F690 HydrophobicContact CG-CB 4.29Å; R465-F690 HydrophobicContact CG-CD1 3.8Å; R465-F690 HydrophobicContact CG-CD2 4.03Å; R465-F690 HydrophobicContact CG-CE1 4.16Å; R465-F690 HydrophobicContact CG-CE2 4.43Å; R465-F690 HydrophobicContact CG-CG 3.73Å; R465-F690 HydrophobicContact CG-CZ 4.48Å; E686-F690 VanDerWaalsContact O-CB 3.25Å; E686-F690 WeakPolarHBondContact O-CB 3.31Å; E686-F690 PolarHBondContact O-N 3.23Å; I687-F690 WeakPolarHBondContact O-CB 3.35Å; I687-F690 PolarHBondContact O-N 2.89Å; F690-K692 VanDerWaalsContact C-N 3.29Å; F690-K692 PolarHBondContact O-N 3.14Å; F690-D694 HydrophobicContact CD2-CB 3.43Å; F690-D694 VanDerWaalsContact CD2-CB 3.43Å; F690-D694 HydrophobicContact CE2-CB 3.47Å; F690-D694 VanDerWaalsContact CE2-CB 3.47Å; F690-D694 HydrophobicContact CG-CB 4.39Å; F690-D694 PolarHBondContact O-N 3.25Å; F690-L695 HydrophobicContact CE1-CB 4.39Å; F690-L695 PolarHBondContact O-N 3.37Å; F690-K698 HydrophobicContact CE2-CD 3.77Å; F690-K698 HydrophobicContact CZ-CD 3.78Å
691L94Very high93Very high3 Ų352.6 Ų52.62%0.01628%0.279CS..Hα-helixtrans-61.3-38.8177.7-69.8177.9000112.2F338 E339 F342 V462 I687 L695F338-L691 HydrophobicContact CE1-CD2 3.82Å; E339-L691 HydrophobicContact CB-CB 4.38Å; E339-L691 HydrophobicContact CG-CB 3.85Å; F342-L691 HydrophobicContact CB-CD1 3.96Å; F342-L691 HydrophobicContact CD1-CD1 3.23Å; F342-L691 HydrophobicContact CD2-CD1 4.26Å; F342-L691 HydrophobicContact CE1-CD1 3.71Å; F342-L691 HydrophobicContact CG-CD1 3.55Å; F342-L691 HydrophobicContact CZ-CD1 4.4Å; V462-L691 HydrophobicContact CG1-CD2 4.36Å; V462-L691 HydrophobicContact CG2-CD2 3.61Å; I687-L691 HydrophobicContact CG2-CD1 3.99Å; I687-L691 HydrophobicContact CG2-CG 4.2Å; I687-L691 VanDerWaalsContact O-CG 3.29Å; I687-L691 WeakPolarHBondContact O-CG 3.35Å; I687-L691 PolarHBondContact O-N 3.47Å; L691-L695 HydrophobicContact CD2-CD2 3.7Å
692K91.9Very high92.1Very high166 Ų16650.8 Ų50.872%0.72227%0.27SS*.Hα-helixtrans-78.3-33.3-177.5-172.9174-178.9175.70114.2E339 K688 T689 F690E339-K692 HydrophobicContact CG-CB 4.19Å; K688-K692 WeakPolarHBondContact O-CB 3.48Å; K688-K692 PolarHBondContact O-N 2.91Å; T689-K692 PolarHBondContact O-N 3.36Å; F690-K692 VanDerWaalsContact C-N 3.29Å; F690-K692 PolarHBondContact O-N 3.14Å
693G90.3Very high91.3Very high42 Ų4252 Ų5243%0.43328%0.278SS..Hα-helixtrans-106.3-48.4-174.400000115.1T689 P697T689-G693 PolarHBondContact O-N 3.21Å; G693-P697 WeakPolarHBondContact O-CD 3.45Å; G693-P697 WeakPolarHBondContact O-CG 3.48Å
694D93.4Very high90.4Very high82 Ų8253.4 Ų53.444%0.43929%0.287SS..THydrogen-bonded Turntrans-108.2-22.9-160.2-62.2-37.1000114.2F690 P697 K698F690-D694 HydrophobicContact CD2-CB 3.43Å; F690-D694 VanDerWaalsContact CD2-CB 3.43Å; F690-D694 HydrophobicContact CE2-CB 3.47Å; F690-D694 VanDerWaalsContact CE2-CB 3.47Å; F690-D694 HydrophobicContact CG-CB 4.39Å; F690-D694 PolarHBondContact O-N 3.25Å; D694-P697 WeakPolarHBondContact O-CD 3.45Å; D694-K698 WeakPolarHBondContact O-CB 3.24Å; D694-K698 PolarHBondContact O-N 2.79Å; D694-K698 VanDerWaalsContact O-N 3.11Å
695L93.5Very high89.6Confident0 Ų056.4 Ų56.40%030%0.303CS..Hα-helixtrans-59.1-49.9178.3175.360.9000110.9V335 F338 V461 V462 F690 L691 K698 L699V335-L695 HydrophobicContact CG1-CD2 4Å; V335-L695 HydrophobicContact CG1-CG 4.2Å; F338-L695 HydrophobicContact CD1-CD2 4.04Å; F338-L695 HydrophobicContact CE1-CD2 4.02Å; V461-L695 HydrophobicContact CB-CD1 4.33Å; V461-L695 HydrophobicContact CG1-CD1 3.83Å; V462-L695 HydrophobicContact CG2-CD1 4.2Å; V462-L695 HydrophobicContact CG2-CD2 4.44Å; F690-L695 HydrophobicContact CE1-CB 4.39Å; F690-L695 PolarHBondContact O-N 3.37Å; L691-L695 HydrophobicContact CD2-CD2 3.7Å; L695-K698 PolarHBondContact O-N 3.13Å; L695-L699 HydrophobicContact CD1-CD1 4.02Å; L695-L699 HydrophobicContact CD1-CG 4.12Å; L695-L699 HydrophobicContact CG-CD1 3.95Å; L695-L699 HydrophobicContact CG-CG 4.46Å; L695-L699 WeakPolarHBondContact O-CG 3.38Å; L695-L699 PolarHBondContact O-N 3.22Å
696L91.7Very high89Confident38 Ų3857 Ų5720%0.19931%0.307CS..Hα-helixtrans-63.1-47.9-177.4-179.271.2000112.8L332 V335 K698 L699 Y700L332-L696 HydrophobicContact CD1-CD2 3.52Å; V335-L696 HydrophobicContact CB-CD1 4.17Å; V335-L696 HydrophobicContact CG1-CB 4.07Å; V335-L696 HydrophobicContact CG1-CD1 4.25Å; V335-L696 HydrophobicContact CG2-CD1 4.13Å; L696-K698 VanDerWaalsContact C-N 3.3Å; L696-K698 PolarHBondContact O-N 3.07Å; L696-L699 PolarHBondContact O-N 2.85Å; L696-Y700 HydrophobicContact CD1-CD2 3.99Å; L696-Y700 HydrophobicContact CD1-CE2 3.51Å; L696-Y700 HydrophobicContact CD2-CE2 4.01Å; L696-Y700 HydrophobicContact CG-CD2 3.84Å; L696-Y700 HydrophobicContact CG-CE2 3.56Å; L696-Y700 VanDerWaalsContact O-CD2 3.3Å; L696-Y700 WeakPolarHBondContact O-CD2 3.29Å; L696-Y700 PolarHBondContact O-N 3.1Å
697P91.2Very high88.4Confident79 Ų7954 Ų5451%0.51329%0.293SS..Hα-helixtrans-55.4-38.9170.2-28.735000114.4G693 D694 Y700 S701G693-P697 WeakPolarHBondContact O-CD 3.45Å; G693-P697 WeakPolarHBondContact O-CG 3.48Å; D694-P697 WeakPolarHBondContact O-CD 3.45Å; P697-Y700 PolarHBondContact O-N 3.08Å; P697-S701 PolarHBondContact O-N 3.33Å
698K90.5Very high87.8Confident78 Ų7854.1 Ų54.134%0.33929%0.294SS..Hα-helixtrans-65.9-40.6176.1-81.8173174.3-179.10112.1V461 F690 D694 L695 L696 S701V461-K698 HydrophobicContact CG1-CB 4.29Å; V461-K698 HydrophobicContact CG1-CD 4.01Å; F690-K698 HydrophobicContact CE2-CD 3.77Å; F690-K698 HydrophobicContact CZ-CD 3.78Å; D694-K698 WeakPolarHBondContact O-CB 3.24Å; D694-K698 PolarHBondContact O-N 2.79Å; D694-K698 VanDerWaalsContact O-N 3.11Å; L695-K698 PolarHBondContact O-N 3.13Å; L696-K698 VanDerWaalsContact C-N 3.3Å; L696-K698 PolarHBondContact O-N 3.07Å; K698-S701 WeakPolarHBondContact O-CB 3.4Å; K698-S701 PolarHBondContact O-N 3.34Å; K698-S701 PolarHBondContact O-OG 3.18Å
699L90.3Very high87.2Confident0 Ų056.7 Ų56.70%031%0.306CS..Hα-helixtrans-64.8-38.9174.9-65.4170000112.2V335 L454 E457 I458 L695 L696 S701 Q702 L707V335-L699 HydrophobicContact CG1-CD1 4.41Å; V335-L699 HydrophobicContact CG2-CD1 3.39Å; L454-L699 HydrophobicContact CD1-CD1 4.22Å; L454-L699 HydrophobicContact CD1-CD2 4.23Å; E457-L699 HydrophobicContact CB-CD2 4.25Å; E457-L699 HydrophobicContact CG-CD2 3.54Å; I458-L699 HydrophobicContact CD1-CD1 4.39Å; I458-L699 HydrophobicContact CG1-CD1 3.92Å; I458-L699 HydrophobicContact CG1-CD2 4.06Å; L695-L699 HydrophobicContact CD1-CD1 4.02Å; L695-L699 HydrophobicContact CD1-CG 4.12Å; L695-L699 HydrophobicContact CG-CD1 3.95Å; L695-L699 HydrophobicContact CG-CG 4.46Å; L695-L699 WeakPolarHBondContact O-CG 3.38Å; L695-L699 PolarHBondContact O-N 3.22Å; L696-L699 PolarHBondContact O-N 2.85Å; L699-S701 PolarHBondContact O-N 2.83Å; L699-Q702 PolarHBondContact O-N 2.92Å; L699-Q702 VanDerWaalsContact O-N 3.14Å; L699-L707 HydrophobicContact CB-CD1 4.43Å
700Y85.6Confident86.3Confident89 Ų8954 Ų5435%0.34929%0.288SS..THydrogen-bonded Turntrans-66.8-10174.4-82.3-59000115T328 L331 L696 P697 Q702 P704T328-Y700 HydrophobicContact CG2-CE1 4.05Å; T328-Y700 VanDerWaalsContact CG2-OH 3.29Å; T328-Y700 WeakPolarHBondContact CG2-OH 3.2Å; T328-Y700 PolarHBondContact O-OH 3.13Å; L331-Y700 HydrophobicContact CD2-CD1 4.28Å; L331-Y700 HydrophobicContact CD2-CE1 3.91Å; L696-Y700 HydrophobicContact CD1-CD2 3.99Å; L696-Y700 HydrophobicContact CD1-CE2 3.51Å; L696-Y700 HydrophobicContact CD2-CE2 4.01Å; L696-Y700 HydrophobicContact CG-CD2 3.84Å; L696-Y700 HydrophobicContact CG-CE2 3.56Å; L696-Y700 VanDerWaalsContact O-CD2 3.3Å; L696-Y700 WeakPolarHBondContact O-CD2 3.29Å; L696-Y700 PolarHBondContact O-N 3.1Å; P697-Y700 PolarHBondContact O-N 3.08Å; Y700-Q702 PolarHBondContact O-N 2.99Å; Y700-P704 HydrophobicContact CD1-CG 4.17Å; Y700-P704 HydrophobicContact CE1-CG 4.4Å
701S82.9Confident85.6Confident99 Ų9955.5 Ų55.569%0.69230%0.299SS*.THydrogen-bonded Turntrans-73.3-15.3171.674.60000113.2P697 K698 L699P697-S701 PolarHBondContact O-N 3.33Å; K698-S701 WeakPolarHBondContact O-CB 3.4Å; K698-S701 PolarHBondContact O-N 3.34Å; K698-S701 PolarHBondContact O-OG 3.18Å; L699-S701 PolarHBondContact O-N 2.83Å
702Q79.5Confident84.9Confident76 Ų7660.6 Ų60.636%0.35534%0.335SS..SBendtrans-99.8162.8170.7-55.4-160.76.600111.1E457 L699 Y700 P704 L707E457-Q702 PolarHBondContact OE1-NE2 3.22Å; E457-Q702 PolarHBondContact OE2-NE2 3.19Å; L699-Q702 PolarHBondContact O-N 2.92Å; L699-Q702 VanDerWaalsContact O-N 3.14Å; Y700-Q702 PolarHBondContact O-N 2.99Å; Q702-P704 WeakPolarHBondContact O-CD 3.29Å; Q702-L707 HydrophobicContact CB-CD1 4.15Å; Q702-L707 HydrophobicContact CB-CG 4.37Å
703D80.4Confident84.2Confident72 Ų7255.8 Ų55.839%0.38533%0.326SS..  trans-65.6115174.7-179.82.1000110.9N705 N706 L707D703-N705 PolarHBondContact O-N 3.5Å; D703-N705 VanDerWaalsContact O-N 3.08Å; D703-N705 VanDerWaalsContact OD1-CB 3.31Å; D703-N705 WeakPolarHBondContact OD1-CB 3.41Å; D703-N705 PolarHBondContact OD1-N 2.84Å; D703-N705 PolarHBondContact OD1-ND2 2.96Å; D703-N706 HydrophobicContact CB-CB 4.49Å; D703-N706 PolarHBondContact O-N 2.85Å; D703-N706 PolarHBondContact OD2-ND2 3.04Å; D703-L707 PolarHBondContact O-N 2.93Å
704P77Confident83.6Confident30 Ų3056.1 Ų56.120%0.19532%0.316CS..Hα-helixtrans-60.5-21.7179.8-23.335.6000113.4L331 Y700 Q702 N706 M708L331-P704 HydrophobicContact CD2-CB 4.29Å; Y700-P704 HydrophobicContact CD1-CG 4.17Å; Y700-P704 HydrophobicContact CE1-CG 4.4Å; Q702-P704 WeakPolarHBondContact O-CD 3.29Å; P704-N706 VanDerWaalsContact C-N 3.35Å; P704-M708 WeakPolarHBondContact O-CB 3.41Å; P704-M708 VanDerWaalsContact O-CG 3.29Å; P704-M708 WeakPolarHBondContact O-CG 3.37Å; P704-M708 PolarHBondContact O-N 3.09Å; P704-M708 VanDerWaalsContact O-N 3.15Å
705N77.9Confident82.9Confident64 Ų6457.2 Ų57.234%0.34232%0.317SS..Hα-helixtrans-67.5-35.9175.5-65.9-73.6000112.6K327 D703K327-N705 WeakPolarHBondContact CD-OD1 3.5Å; K327-N705 PolarHBondContact NZ-OD1 3.03Å; D703-N705 PolarHBondContact O-N 3.5Å; D703-N705 VanDerWaalsContact O-N 3.08Å; D703-N705 VanDerWaalsContact OD1-CB 3.31Å; D703-N705 WeakPolarHBondContact OD1-CB 3.41Å; D703-N705 PolarHBondContact OD1-N 2.84Å; D703-N705 PolarHBondContact OD1-ND2 2.96Å
706N83.2Confident82.3Confident82 Ų8263.2 Ų63.244%0.43934%0.343SS..Hα-helixtrans-80.8-33.1-179-68.6-36.1000111.8R453 D703 P704R453-N706 WeakPolarHBondContact CD-O 3.49Å; R453-N706 PolarHBondContact NH1-O 3.21Å; D703-N706 HydrophobicContact CB-CB 4.49Å; D703-N706 PolarHBondContact O-N 2.85Å; D703-N706 PolarHBondContact OD2-ND2 3.04Å; P704-N706 VanDerWaalsContact C-N 3.35Å
707L83.4Confident81.8Confident3 Ų365.7 Ų65.72%0.01635%0.354CS..Hα-helixtrans-68.1-41.1174.6-69.2177.6000112L454 E457 L699 Q702 D703 E709L454-L707 HydrophobicContact CB-CB 4.46Å; L454-L707 PolarHBondContact N-O 3.16Å; E457-L707 HydrophobicContact CB-CD2 3.88Å; E457-L707 HydrophobicContact CG-CD2 4.11Å; L699-L707 HydrophobicContact CB-CD1 4.43Å; Q702-L707 HydrophobicContact CB-CD1 4.15Å; Q702-L707 HydrophobicContact CB-CG 4.37Å; D703-L707 PolarHBondContact O-N 2.93Å; L707-E709 VanDerWaalsContact C-N 3.27Å; L707-E709 PolarHBondContact O-N 3.44Å
708M81.8Confident81.3Confident3 Ų363.4 Ų63.42%0.01534%0.335CS..THydrogen-bonded Turntrans-88.929.2-177.2-60-62.4-59.900113.5K327 A330 L331 M334 F451 L454 P704K327-M708 HydrophobicContact CB-CB 4.48Å; K327-M708 HydrophobicContact CB-CG 4.36Å; K327-M708 HydrophobicContact CD-CB 4.31Å; K327-M708 HydrophobicContact CG-CB 4.42Å; A330-M708 HydrophobicContact CB-CE 3.74Å; L331-M708 HydrophobicContact CB-CG 4.38Å; L331-M708 HydrophobicContact CB-SD 3.92Å; L331-M708 HydrophobicContact CD1-SD 4.19Å; M334-M708 HydrophobicContact SD-CE 4.29Å; F451-M708 HydrophobicContact CD1-CB 4.45Å; F451-M708 HydrophobicContact CD1-CE 4.18Å; F451-M708 HydrophobicContact CD2-CE 3.96Å; F451-M708 HydrophobicContact CE1-CE 3.9Å; F451-M708 HydrophobicContact CE2-CE 3.68Å; F451-M708 HydrophobicContact CG-CE 4.2Å; F451-M708 HydrophobicContact CZ-CE 3.65Å; L454-M708 HydrophobicContact CD2-SD 3.86Å; P704-M708 WeakPolarHBondContact O-CB 3.41Å; P704-M708 VanDerWaalsContact O-CG 3.29Å; P704-M708 WeakPolarHBondContact O-CG 3.37Å; P704-M708 PolarHBondContact O-N 3.09Å; P704-M708 VanDerWaalsContact O-N 3.15Å
709E80.9Confident80.9Confident98 Ų9863.1 Ų63.146%0.45834%0.335SS..PPolyproline II helixtrans-79.5120.1172.8-168.1171.7179.800109.9R453 L707R453-E709 IonicContact CZ-OE2 3.74Å; R453-E709 IonicContact NH1-OE2 3.67Å; R453-E709 PolarHBondContact NH1-OE2 3.42Å; R453-E709 IonicContact NH2-OE2 3.91Å; R453-E709 PolarHBondContact NH2-OE2 2.97Å; L707-E709 VanDerWaalsContact C-N 3.27Å; L707-E709 PolarHBondContact O-N 3.44Å
710E78Confident80.3Confident26 Ų2665.4 Ų65.412%0.12135%0.345CS..PPolyproline II helixtrans-65.8146.1175.6-64.7-177.1128.800110.6Y319 R450 F451 R718Y319-E710 VanDerWaalsContact CE1-CD 3.44Å; Y319-E710 HydrophobicContact CE1-CG 4.17Å; Y319-E710 WeakPolarHBondContact CE1-OE1 3.47Å; Y319-E710 WeakPolarHBondContact CE1-OE2 3.44Å; Y319-E710 WeakPolarHBondContact OH-CG 3.5Å; R450-E710 IonicContact CZ-OE1 3.75Å; R450-E710 IonicContact NE-OE1 3.95Å; R450-E710 PolarHBondContact NE-OE1 3.4Å; R450-E710 IonicContact NH2-OE1 2.64Å; R450-E710 PolarHBondContact NH2-OE1 2.84Å; F451-E710 HydrophobicContact CD1-CG 4.4Å; F451-E710 HydrophobicContact CE1-CG 3.73Å; F451-E710 HydrophobicContact CZ-CG 4.45Å; E710-R718 IonicContact OE1-NE 2.73Å; E710-R718 PolarHBondContact OE1-NE 3.47Å; E710-R718 IonicContact OE2-CZ 2.79Å; E710-R718 VanDerWaalsContact OE2-CZ 3.32Å; E710-R718 IonicContact OE2-NE 2.73Å; E710-R718 PolarHBondContact OE2-NE 3.39Å; E710-R718 VanDerWaalsContact OE2-NE 3.08Å; E710-R718 IonicContact OE2-NH2 3.4Å; E710-R718 PolarHBondContact OE2-NH2 3.32Å
711S80.6Confident80.1Confident36 Ų3661.5 Ų61.525%0.25233%0.33SS..PPolyproline II helixtrans-60.9151168.582.40000111.2R450 A713 E714 K715R450-S711 PolarHBondContact O-N 3.47Å; S711-A713 PolarHBondContact O-N 3.01Å; S711-E714 PolarHBondContact O-N 2.64Å; S711-E714 WeakPolarHBondContact OG-CB 3.48Å; S711-E714 PolarHBondContact OG-N 3.07Å; S711-K715 PolarHBondContact O-N 3.35Å
712S79.8Confident80.1Confident109 Ų10959.2 Ų59.276%0.76231%0.31SS*.Hα-helixtrans-61.8-32.6178.555.60000112.7K716S712-K716 WeakPolarHBondContact O-CB 3.22Å; S712-K716 PolarHBondContact O-N 2.98Å; S712-K716 VanDerWaalsContact O-N 3.12Å
713A76.9Confident80.1Confident66 Ų6663.2 Ų63.255%0.54532%0.322SS..Hα-helixtrans-66.2-47.8173.400000111.5S711 K716 H717S711-A713 PolarHBondContact O-N 3.01Å; A713-K716 PolarHBondContact O-N 3.23Å; A713-H717 WeakPolarHBondContact O-CB 3.4Å; A713-H717 PolarHBondContact O-N 2.73Å
714E77.5Confident80Confident49 Ų4960 Ų6023%0.22930%0.304CS..Hα-helixtrans-62.2-46.2177.9-171.380.1172.400111.5R450 S711 K716 H717 R718R450-E714 WeakPolarHBondContact CD-OE1 3.29Å; R450-E714 HydrophobicContact CG-CG 3.85Å; R450-E714 IonicContact NE-OE1 3.09Å; S711-E714 PolarHBondContact O-N 2.64Å; S711-E714 WeakPolarHBondContact OG-CB 3.48Å; S711-E714 PolarHBondContact OG-N 3.07Å; E714-K716 VanDerWaalsContact C-N 3.31Å; E714-K716 PolarHBondContact O-N 3.12Å; E714-H717 PolarHBondContact O-N 3.45Å; E714-R718 WeakPolarHBondContact O-CB 3.33Å; E714-R718 PolarHBondContact O-N 3Å
715K79.5Confident80.4Confident105 Ų10559.3 Ų59.346%0.45730%0.298SS..Hα-helixtrans-58-45.9178.1-179.9178.9175.5-179.20111.1S711 R718 E719S711-K715 PolarHBondContact O-N 3.35Å; K715-R718 PolarHBondContact O-N 3.21Å; K715-E719 WeakPolarHBondContact CE-OE1 3.41Å; K715-E719 WeakPolarHBondContact O-CG 3.38Å; K715-E719 PolarHBondContact O-N 2.9Å
716K80.7Confident80.6Confident126 Ų12659.7 Ų59.755%0.54830%0.3SS..Hα-helixtrans-60.3-49.9175.9177.8-179.9168-176.60110.8S712 A713 E714 R718 E719 E720S712-K716 WeakPolarHBondContact O-CB 3.22Å; S712-K716 PolarHBondContact O-N 2.98Å; S712-K716 VanDerWaalsContact O-N 3.12Å; A713-K716 PolarHBondContact O-N 3.23Å; E714-K716 VanDerWaalsContact C-N 3.31Å; E714-K716 PolarHBondContact O-N 3.12Å; K716-R718 VanDerWaalsContact C-N 3.34Å; K716-R718 PolarHBondContact O-N 3Å; K716-E719 PolarHBondContact O-N 3.39Å; K716-E720 WeakPolarHBondContact CE-OE1 3.26Å; K716-E720 IonicContact NZ-OE1 3.26Å; K716-E720 VanDerWaalsContact O-CB 3.31Å; K716-E720 WeakPolarHBondContact O-CB 3.47Å; K716-E720 PolarHBondContact O-N 3.03Å
717H79.7Confident80.3Confident90 Ų9056.8 Ų56.842%0.41729%0.286SS..Hα-helixtrans-58.7-42.4179.6-175.450.3000112.6A713 E714 E720 I721A713-H717 WeakPolarHBondContact O-CB 3.4Å; A713-H717 PolarHBondContact O-N 2.73Å; E714-H717 PolarHBondContact O-N 3.45Å; H717-E720 WeakPolarHBondContact O-CB 3.38Å; H717-E720 PolarHBondContact O-N 3.36Å; H717-I721 VanDerWaalsContact CE1-CD1 3.44Å; H717-I721 WeakPolarHBondContact CE1-CD1 3.22Å; H717-I721 WeakPolarHBondContact NE2-CD1 3.37Å; H717-I721 WeakPolarHBondContact O-CB 3.43Å; H717-I721 WeakPolarHBondContact O-CG1 3.46Å; H717-I721 PolarHBondContact O-N 2.84Å
718R81.4Confident80.3Confident30 Ų3056.7 Ų56.711%0.11329%0.286CS..Hα-helixtrans-63.3-45.4174.7-179.9173.260.460.21112.4F316 E710 E714 K715 K716 E720 I722F316-R718 HydrophobicContact CB-CG 4.06Å; F316-R718 HydrophobicContact CD1-CB 4.2Å; F316-R718 HydrophobicContact CD1-CG 3.55Å; F316-R718 HydrophobicContact CD2-CG 4.08Å; F316-R718 HydrophobicContact CE1-CB 4.02Å; F316-R718 HydrophobicContact CE1-CG 3.91Å; F316-R718 HydrophobicContact CE2-CB 4.49Å; F316-R718 HydrophobicContact CE2-CG 4.4Å; F316-R718 HydrophobicContact CG-CG 3.64Å; F316-R718 HydrophobicContact CZ-CB 4.18Å; F316-R718 HydrophobicContact CZ-CG 4.32Å; E710-R718 IonicContact OE1-NE 2.73Å; E710-R718 PolarHBondContact OE1-NE 3.47Å; E710-R718 IonicContact OE2-CZ 2.79Å; E710-R718 VanDerWaalsContact OE2-CZ 3.32Å; E710-R718 IonicContact OE2-NE 2.73Å; E710-R718 PolarHBondContact OE2-NE 3.39Å; E710-R718 VanDerWaalsContact OE2-NE 3.08Å; E710-R718 IonicContact OE2-NH2 3.4Å; E710-R718 PolarHBondContact OE2-NH2 3.32Å; E714-R718 WeakPolarHBondContact O-CB 3.33Å; E714-R718 PolarHBondContact O-N 3Å; K715-R718 PolarHBondContact O-N 3.21Å; K716-R718 VanDerWaalsContact C-N 3.34Å; K716-R718 PolarHBondContact O-N 3Å; R718-E720 VanDerWaalsContact C-N 3.3Å; R718-E720 PolarHBondContact O-N 2.87Å; R718-I722 HydrophobicContact CG-CD1 3.96Å; R718-I722 WeakPolarHBondContact O-CD1 3.49Å; R718-I722 VanDerWaalsContact O-CG1 3.24Å; R718-I722 WeakPolarHBondContact O-CG1 3.41Å; R718-I722 PolarHBondContact O-N 3.06Å; R718-I722 VanDerWaalsContact O-N 3.09Å
719E81.7Confident80.5Confident72 Ų7263.5 Ų63.534%0.33631%0.311SS..Hα-helixtrans-63.1-38.5175.9-73.8178.6-155.600111.9K715 K716 R723K715-E719 WeakPolarHBondContact CE-OE1 3.41Å; K715-E719 WeakPolarHBondContact O-CG 3.38Å; K715-E719 PolarHBondContact O-N 2.9Å; K716-E719 PolarHBondContact O-N 3.39Å; E719-R723 VanDerWaalsContact O-CG 3.27Å; E719-R723 WeakPolarHBondContact O-CG 3.4Å; E719-R723 PolarHBondContact O-N 3.29Å; E719-R723 IonicContact OE2-NH2 2.8Å
720E78.6Confident80.3Confident49 Ų4963 Ų6323%0.22931%0.309CS..Hα-helixtrans-63.3-50.2175.8-92.3169.4-174.200112.9L24 K716 H717 R718 I722 R723 M724L24-E720 HydrophobicContact CD2-CB 3.44Å; L24-E720 VanDerWaalsContact CD2-CB 3.44Å; L24-E720 HydrophobicContact CD2-CG 3.61Å; K716-E720 WeakPolarHBondContact CE-OE1 3.26Å; K716-E720 IonicContact NZ-OE1 3.26Å; K716-E720 VanDerWaalsContact O-CB 3.31Å; K716-E720 WeakPolarHBondContact O-CB 3.47Å; K716-E720 PolarHBondContact O-N 3.03Å; H717-E720 WeakPolarHBondContact O-CB 3.38Å; H717-E720 PolarHBondContact O-N 3.36Å; R718-E720 VanDerWaalsContact C-N 3.3Å; R718-E720 PolarHBondContact O-N 2.87Å; E720-I722 VanDerWaalsContact C-N 3.34Å; E720-I722 PolarHBondContact O-N 2.8Å; E720-R723 PolarHBondContact O-N 2.87Å; E720-M724 WeakPolarHBondContact O-CB 3.34Å; E720-M724 PolarHBondContact O-N 3.12Å
721I81.2Confident80.1Confident6 Ų661.7 Ų61.73%0.03130%0.303CS..Hα-helixtrans-59.9-42.4175.7-77.5169.9000111.6L309 E312 V313 F316 H717 M724 Y725L309-I721 HydrophobicContact CD2-CG2 4.25Å; E312-I721 WeakPolarHBondContact OE2-CD1 3.44Å; V313-I721 HydrophobicContact CG2-CG2 3.5Å; V313-I721 VanDerWaalsContact CG2-CG2 3.5Å; F316-I721 HydrophobicContact CD2-CG2 4.17Å; F316-I721 HydrophobicContact CE2-CB 4.42Å; F316-I721 HydrophobicContact CE2-CD1 3.87Å; F316-I721 HydrophobicContact CE2-CG2 4.13Å; H717-I721 VanDerWaalsContact CE1-CD1 3.44Å; H717-I721 WeakPolarHBondContact CE1-CD1 3.22Å; H717-I721 WeakPolarHBondContact NE2-CD1 3.37Å; H717-I721 WeakPolarHBondContact O-CB 3.43Å; H717-I721 WeakPolarHBondContact O-CG1 3.46Å; H717-I721 PolarHBondContact O-N 2.84Å; I721-M724 PolarHBondContact O-N 3.1Å; I721-Y725 WeakPolarHBondContact O-CB 3.34Å; I721-Y725 PolarHBondContact O-N 3.3Å
722I82.5Confident80.3Confident52 Ų5261 Ų6127%0.26730%0.296SS..Hα-helixtrans-64.9-44.9178.7-69.3166.9000111.1R718 E720 M724 Y725 D726R718-I722 HydrophobicContact CG-CD1 3.96Å; R718-I722 WeakPolarHBondContact O-CD1 3.49Å; R718-I722 VanDerWaalsContact O-CG1 3.24Å; R718-I722 WeakPolarHBondContact O-CG1 3.41Å; R718-I722 PolarHBondContact O-N 3.06Å; R718-I722 VanDerWaalsContact O-N 3.09Å; E720-I722 VanDerWaalsContact C-N 3.34Å; E720-I722 PolarHBondContact O-N 2.8Å; I722-M724 VanDerWaalsContact C-N 3.31Å; I722-M724 PolarHBondContact O-N 3.31Å; I722-Y725 PolarHBondContact O-N 3.17Å; I722-D726 PolarHBondContact O-N 3.49Å
723R79.3Confident80.2Confident160 Ų16059 Ų5960%0.60428%0.282SS*.Hα-helixtrans-61.1-39.7176.6-73174.1-163.4-166.39.6112.4E719 E720 S727E719-R723 VanDerWaalsContact O-CG 3.27Å; E719-R723 WeakPolarHBondContact O-CG 3.4Å; E719-R723 PolarHBondContact O-N 3.29Å; E719-R723 IonicContact OE2-NH2 2.8Å; E720-R723 PolarHBondContact O-N 2.87Å; R723-S727 VanDerWaalsContact O-CB 3.31Å; R723-S727 WeakPolarHBondContact O-CB 3.33Å; R723-S727 PolarHBondContact O-N 3.21Å; R723-S727 PolarHBondContact O-OG 2.84Å
724M78.4Confident79.9Confident3 Ų357.3 Ų57.32%0.01527%0.265CS..Hα-helixtrans-63.7-49.9175.5176.654.569.500111.6A20 F21 L24 L26 L309 E720 I721 I722 D726 S727 I728A20-M724 VanDerWaalsContact C-CE 3.42Å; A20-M724 HydrophobicContact CB-CE 4.16Å; A20-M724 WeakPolarHBondContact O-CE 3.45Å; F21-M724 HydrophobicContact CB-CE 4.25Å; F21-M724 HydrophobicContact CD1-CE 4.19Å; F21-M724 HydrophobicContact CD2-CE 3.6Å; F21-M724 HydrophobicContact CD2-SD 3.66Å; F21-M724 HydrophobicContact CE1-SD 4.41Å; F21-M724 HydrophobicContact CE2-CE 4.01Å; F21-M724 HydrophobicContact CE2-SD 3.44Å; F21-M724 WeakPolarHBondContact CE2-SD 3.41Å; F21-M724 HydrophobicContact CG-CE 3.73Å; F21-M724 HydrophobicContact CG-SD 4.28Å; F21-M724 HydrophobicContact CZ-CE 4.45Å; F21-M724 HydrophobicContact CZ-SD 3.85Å; L24-M724 HydrophobicContact CB-CE 4.36Å; L24-M724 HydrophobicContact CD1-CB 3.63Å; L24-M724 HydrophobicContact CD1-CE 3.71Å; L24-M724 HydrophobicContact CD1-CG 3.83Å; L24-M724 HydrophobicContact CG-CB 4.49Å; L24-M724 HydrophobicContact CG-CE 3.78Å; L26-M724 HydrophobicContact CD1-CE 4.48Å; L309-M724 HydrophobicContact CD1-CG 3.63Å; E720-M724 WeakPolarHBondContact O-CB 3.34Å; E720-M724 PolarHBondContact O-N 3.12Å; I721-M724 PolarHBondContact O-N 3.1Å; I722-M724 VanDerWaalsContact C-N 3.31Å; I722-M724 PolarHBondContact O-N 3.31Å; M724-D726 VanDerWaalsContact C-N 3.35Å; M724-D726 PolarHBondContact O-N 2.95Å; M724-S727 PolarHBondContact O-N 2.87Å; M724-I728 HydrophobicContact CG-CD1 3.83Å; M724-I728 WeakPolarHBondContact O-CG1 3.46Å; M724-I728 PolarHBondContact O-N 2.85Å; M724-I728 HydrophobicContact SD-CD1 3.56Å; M724-I728 VanDerWaalsContact SD-CD1 3.56Å; M724-I728 HydrophobicContact SD-CG1 3.81Å
725Y84.8Confident79.7Confident17 Ų1755 Ų557%0.06725%0.254CS..Hα-helixtrans-54.6-48.5177.6172.5-82.6000112.1L306 L309 E310 V313 I721 I722 S727 I728 R729L306-Y725 HydrophobicContact CD1-CD2 3.68Å; L306-Y725 HydrophobicContact CD1-CE2 3.61Å; L306-Y725 HydrophobicContact CD1-CG 4.42Å; L306-Y725 HydrophobicContact CG-CE2 4.38Å; L309-Y725 HydrophobicContact CB-CD2 4.43Å; E310-Y725 HydrophobicContact CG-CD2 4.48Å; E310-Y725 HydrophobicContact CG-CE2 3.65Å; V313-Y725 HydrophobicContact CB-CD2 4.22Å; V313-Y725 HydrophobicContact CB-CG 4.5Å; V313-Y725 HydrophobicContact CG1-CD1 4.41Å; V313-Y725 HydrophobicContact CG1-CD2 4.16Å; V313-Y725 HydrophobicContact CG1-CE2 4.42Å; V313-Y725 HydrophobicContact CG1-CG 4.16Å; V313-Y725 HydrophobicContact CG2-CD2 3.95Å; V313-Y725 HydrophobicContact CG2-CG 3.97Å; I721-Y725 WeakPolarHBondContact O-CB 3.34Å; I721-Y725 PolarHBondContact O-N 3.3Å; I722-Y725 PolarHBondContact O-N 3.17Å; Y725-S727 PolarHBondContact O-N 2.93Å; Y725-I728 PolarHBondContact O-N 2.81Å; Y725-R729 WeakPolarHBondContact O-CB 3.27Å; Y725-R729 PolarHBondContact O-N 2.94Å
726D82.7Confident79.6Confident71 Ų7152.3 Ų52.338%0.3825%0.249SC..Hα-helixtrans-68.1-36.5-179.5-74.3-30.9000111.6I722 M724 R729 E730I722-D726 PolarHBondContact O-N 3.49Å; M724-D726 VanDerWaalsContact C-N 3.35Å; M724-D726 PolarHBondContact O-N 2.95Å; D726-R729 PolarHBondContact O-N 2.64Å; D726-E730 WeakPolarHBondContact O-CB 3.36Å; D726-E730 PolarHBondContact O-N 3.22Å
727S77.2Confident79Confident22 Ų2249.7 Ų49.715%0.15424%0.241CC..Hα-helixtrans-65.3-42.6175.7-59.90000112.8R723 M724 Y725 R729 A731R723-S727 VanDerWaalsContact O-CB 3.31Å; R723-S727 WeakPolarHBondContact O-CB 3.33Å; R723-S727 PolarHBondContact O-N 3.21Å; R723-S727 PolarHBondContact O-OG 2.84Å; M724-S727 PolarHBondContact O-N 2.87Å; Y725-S727 PolarHBondContact O-N 2.93Å; S727-R729 VanDerWaalsContact C-N 3.35Å; S727-A731 WeakPolarHBondContact O-CB 3.25Å; S727-A731 PolarHBondContact O-N 3.45Å
728I82.8Confident78.4Confident0 Ų045.7 Ų45.70%022%0.223CC..Hα-helixtrans-65.7-39.4174.4-67.2169000110.5F21 L302 Q305 L306 L309 M724 Y725 A731 L732F21-I728 HydrophobicContact CE2-CD1 4.1Å; F21-I728 HydrophobicContact CE2-CG1 3.91Å; F21-I728 HydrophobicContact CZ-CD1 3.88Å; F21-I728 HydrophobicContact CZ-CG1 4.15Å; L302-I728 HydrophobicContact CB-CG2 4.26Å; L302-I728 HydrophobicContact CD2-CG1 4.39Å; L302-I728 HydrophobicContact CD2-CG2 4.44Å; Q305-I728 HydrophobicContact CB-CD1 4.28Å; L306-I728 HydrophobicContact CB-CG2 3.96Å; L306-I728 HydrophobicContact CD1-CB 4.33Å; L306-I728 HydrophobicContact CD1-CG2 3.98Å; L309-I728 HydrophobicContact CD1-CD1 3.57Å; M724-I728 HydrophobicContact CG-CD1 3.83Å; M724-I728 WeakPolarHBondContact O-CG1 3.46Å; M724-I728 PolarHBondContact O-N 2.85Å; M724-I728 HydrophobicContact SD-CD1 3.56Å; M724-I728 VanDerWaalsContact SD-CD1 3.56Å; M724-I728 HydrophobicContact SD-CG1 3.81Å; Y725-I728 PolarHBondContact O-N 2.81Å; I728-A731 PolarHBondContact O-N 2.81Å; I728-L732 HydrophobicContact CG2-CD1 3.91Å; I728-L732 HydrophobicContact CG2-CG 4.36Å; I728-L732 WeakPolarHBondContact O-CG 3.47Å; I728-L732 PolarHBondContact O-N 2.89Å
729R85.3Confident78Confident146 Ų14646.4 Ų46.455%0.55123%0.228SC*.Hα-helixtrans-64.5-42.9178.3-159.6-173.581.1155.32.8112Y725 D726 S727 L732 S733Y725-R729 WeakPolarHBondContact O-CB 3.27Å; Y725-R729 PolarHBondContact O-N 2.94Å; D726-R729 PolarHBondContact O-N 2.64Å; S727-R729 VanDerWaalsContact C-N 3.35Å; R729-L732 PolarHBondContact O-N 2.69Å; R729-S733 PolarHBondContact O-N 2.66Å
730E78Confident77.4Confident87 Ų8746.7 Ų46.741%0.40724%0.243SC..Hα-helixtrans-61.8-44.6174.2-171.2179143.100111.2K16 D726 L732 S733 V734K16-E730 IonicContact NZ-OE1 3.55Å; K16-E730 PolarHBondContact NZ-OE1 3.25Å; K16-E730 IonicContact NZ-OE2 2.76Å; K16-E730 PolarHBondContact NZ-OE2 3.35Å; D726-E730 WeakPolarHBondContact O-CB 3.36Å; D726-E730 PolarHBondContact O-N 3.22Å; E730-L732 PolarHBondContact O-N 3.11Å; E730-S733 WeakPolarHBondContact O-CB 3.35Å; E730-S733 PolarHBondContact O-N 2.84Å; E730-V734 PolarHBondContact O-N 3.26Å; E730-V734 VanDerWaalsContact O-N 3.09Å
731A74.3Confident76.7Confident0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-61.1-44176.800000114.2L13 L17 L302 S727 I728 S733 V734 I735L13-A731 HydrophobicContact CD1-CB 4.43Å; L13-A731 HydrophobicContact CD2-CB 4.31Å; L13-A731 HydrophobicContact CG-CB 4.46Å; L17-A731 HydrophobicContact CD1-CB 3.6Å; L17-A731 HydrophobicContact CD2-CB 3.59Å; L17-A731 HydrophobicContact CG-CB 3.84Å; L302-A731 HydrophobicContact CD1-CB 4.22Å; S727-A731 WeakPolarHBondContact O-CB 3.25Å; S727-A731 PolarHBondContact O-N 3.45Å; I728-A731 PolarHBondContact O-N 2.81Å; A731-S733 VanDerWaalsContact C-N 3.26Å; A731-S733 PolarHBondContact O-N 2.96Å; A731-V734 PolarHBondContact O-N 2.78Å; A731-I735 WeakPolarHBondContact O-CB 3.36Å; A731-I735 VanDerWaalsContact O-CG1 3.24Å; A731-I735 WeakPolarHBondContact O-CG1 3.12Å; A731-I735 PolarHBondContact O-N 3.21Å
732L83.6Confident75.8Confident20 Ų2050.9 Ų50.911%0.10527%0.268CS..Hα-helixtrans-64.3-32176.9-74.1170.2000112.4R299 L302 Q303 L306 I728 R729 E730 S736R299-L732 HydrophobicContact CG-CD2 3.94Å; L302-L732 HydrophobicContact CB-CD2 3.78Å; L302-L732 HydrophobicContact CB-CG 4.17Å; Q303-L732 HydrophobicContact CG-CD1 4.03Å; Q303-L732 HydrophobicContact CG-CD2 3.66Å; L306-L732 HydrophobicContact CB-CD1 4.32Å; L306-L732 HydrophobicContact CD2-CD1 3.83Å; I728-L732 HydrophobicContact CG2-CD1 3.91Å; I728-L732 HydrophobicContact CG2-CG 4.36Å; I728-L732 WeakPolarHBondContact O-CG 3.47Å; I728-L732 PolarHBondContact O-N 2.89Å; R729-L732 PolarHBondContact O-N 2.69Å; E730-L732 PolarHBondContact O-N 3.11Å; L732-S736 WeakPolarHBondContact O-CB 3.41Å; L732-S736 PolarHBondContact O-N 3.2Å; L732-S736 VanDerWaalsContact O-N 3.15Å; L732-S736 PolarHBondContact O-OG 3.4Å
733S78.5Confident74.7Confident68 Ų6856.9 Ų56.948%0.47629%0.294SS..Hα-helixtrans-63.4-54.4171.7-162.70000110.8R729 E730 A731 I735 S736 D737R729-S733 PolarHBondContact O-N 2.66Å; E730-S733 WeakPolarHBondContact O-CB 3.35Å; E730-S733 PolarHBondContact O-N 2.84Å; A731-S733 VanDerWaalsContact C-N 3.26Å; A731-S733 PolarHBondContact O-N 2.96Å; S733-I735 PolarHBondContact O-N 3.19Å; S733-S736 WeakPolarHBondContact O-CB 3.48Å; S733-S736 PolarHBondContact O-N 3.45Å; S733-S736 VanDerWaalsContact O-N 3.1Å; S733-D737 PolarHBondContact O-N 2.86Å
734V69.8Low73.7Confident30 Ų3051.2 Ų51.218%0.18228%0.28CS..Hα-helixtrans-67.7-36.4-176.4178.60000112.1L13 E730 A731 S736 D737 V738L13-V734 HydrophobicContact CD1-CB 4.07Å; L13-V734 HydrophobicContact CD1-CG1 4.49Å; L13-V734 HydrophobicContact CD1-CG2 3.99Å; L13-V734 HydrophobicContact CD2-CB 3.68Å; L13-V734 HydrophobicContact CD2-CG1 3.75Å; L13-V734 HydrophobicContact CG-CB 4.43Å; E730-V734 PolarHBondContact O-N 3.26Å; E730-V734 VanDerWaalsContact O-N 3.09Å; A731-V734 PolarHBondContact O-N 2.78Å; V734-S736 VanDerWaalsContact C-N 3.28Å; V734-S736 PolarHBondContact O-N 2.94Å; V734-D737 PolarHBondContact O-N 2.65Å; V734-V738 HydrophobicContact CG1-CG2 4.29Å; V734-V738 WeakPolarHBondContact O-CG2 3.42Å; V734-V738 PolarHBondContact O-N 3.34Å
735I73.8Confident72.7Confident1 Ų154.9 Ų54.91%0.00530%0.302CS..Hα-helixtrans-61.3-39172.7-69.9165.2000110.8L295 L298 R299 L302 A731 S733 V738 I739L295-I735 HydrophobicContact CD2-CG1 4.15Å; L295-I735 HydrophobicContact CD2-CG2 4.19Å; L298-I735 HydrophobicContact CD2-CD1 3.71Å; L298-I735 HydrophobicContact CD2-CG1 4.45Å; L298-I735 HydrophobicContact CG-CD1 3.99Å; R299-I735 HydrophobicContact CB-CG2 4Å; R299-I735 HydrophobicContact CG-CG2 4.39Å; L302-I735 HydrophobicContact CD1-CD1 3.53Å; A731-I735 WeakPolarHBondContact O-CB 3.36Å; A731-I735 VanDerWaalsContact O-CG1 3.24Å; A731-I735 WeakPolarHBondContact O-CG1 3.12Å; A731-I735 PolarHBondContact O-N 3.21Å; S733-I735 PolarHBondContact O-N 3.19Å; I735-V738 PolarHBondContact O-N 2.69Å; I735-I739 HydrophobicContact CG2-CD1 3.74Å; I735-I739 HydrophobicContact CG2-CG1 4.42Å; I735-I739 WeakPolarHBondContact O-CB 3.33Å; I735-I739 VanDerWaalsContact O-CG1 3.25Å; I735-I739 WeakPolarHBondContact O-CG1 3.46Å; I735-I739 PolarHBondContact O-N 2.82Å
736S76.6Confident71.4Confident48 Ų4859.6 Ų59.634%0.33634%0.335SS..Hα-helixtrans-64.8-42.5175.9-58.40000111.5L732 S733 V734 I739 A740L732-S736 WeakPolarHBondContact O-CB 3.41Å; L732-S736 PolarHBondContact O-N 3.2Å; L732-S736 VanDerWaalsContact O-N 3.15Å; L732-S736 PolarHBondContact O-OG 3.4Å; S733-S736 WeakPolarHBondContact O-CB 3.48Å; S733-S736 PolarHBondContact O-N 3.45Å; S733-S736 VanDerWaalsContact O-N 3.1Å; V734-S736 VanDerWaalsContact C-N 3.28Å; V734-S736 PolarHBondContact O-N 2.94Å; S736-I739 PolarHBondContact O-N 3.15Å; S736-A740 WeakPolarHBondContact O-CB 2.99Å; S736-A740 PolarHBondContact O-N 2.75Å
737D69.7Low70.2Confident71 Ų7159.3 Ų59.338%0.3833%0.333SS..Hα-helixtrans-64.3-41.1176-65.7-21.1000112.3S733 V734 A740 N741S733-D737 PolarHBondContact O-N 2.86Å; V734-D737 PolarHBondContact O-N 2.65Å; D737-A740 PolarHBondContact O-N 3.09Å; D737-N741 WeakPolarHBondContact O-CB 3.47Å; D737-N741 PolarHBondContact O-N 2.75Å; D737-N741 PolarHBondContact O-ND2 2.93Å
738V66.8Low69.4Low7 Ų761.3 Ų61.34%0.04235%0.345CS..Hα-helixtrans-67.5-42.3178.11740000110.9L295 V734 I735 A740 N741 T742L295-V738 HydrophobicContact CD1-CB 4.3Å; L295-V738 HydrophobicContact CD1-CG1 3.56Å; V734-V738 HydrophobicContact CG1-CG2 4.29Å; V734-V738 WeakPolarHBondContact O-CG2 3.42Å; V734-V738 PolarHBondContact O-N 3.34Å; I735-V738 PolarHBondContact O-N 2.69Å; V738-A740 VanDerWaalsContact C-N 3.28Å; V738-A740 PolarHBondContact O-N 3.49Å; V738-N741 PolarHBondContact O-N 3.08Å; V738-T742 VanDerWaalsContact O-CB 3.28Å; V738-T742 WeakPolarHBondContact O-CB 3.48Å; V738-T742 PolarHBondContact O-N 2.68Å; V738-T742 VanDerWaalsContact O-N 3.16Å; V738-T742 PolarHBondContact O-OG1 2.75Å
739I71.3Confident68.1Low44 Ų4466.1 Ų66.123%0.22638%0.376CS..Hα-helixtrans-62.6-36.4175.6-70.1168.7000111.4L295 I735 S736L295-I739 HydrophobicContact CB-CD1 4.21Å; L295-I739 HydrophobicContact CB-CG1 4.15Å; L295-I739 HydrophobicContact CD1-CG1 4.31Å; I735-I739 HydrophobicContact CG2-CD1 3.74Å; I735-I739 HydrophobicContact CG2-CG1 4.42Å; I735-I739 WeakPolarHBondContact O-CB 3.33Å; I735-I739 VanDerWaalsContact O-CG1 3.25Å; I735-I739 WeakPolarHBondContact O-CG1 3.46Å; I735-I739 PolarHBondContact O-N 2.82Å; S736-I739 PolarHBondContact O-N 3.15Å
740A70.9Confident66.9Low79 Ų7964 Ų6465%0.65338%0.382SS*.Hα-helixtrans-71.1-37178.900000113.4S736 D737 V738S736-A740 WeakPolarHBondContact O-CB 2.99Å; S736-A740 PolarHBondContact O-N 2.75Å; D737-A740 PolarHBondContact O-N 3.09Å; V738-A740 VanDerWaalsContact C-N 3.28Å; V738-A740 PolarHBondContact O-N 3.49Å
741N63.8Low66.1Low118 Ų11863.3 Ų63.363%0.63138%0.383SS*.Hα-helixtrans-98.1-1.2-172.2-66.3-62.2000114.8D737 V738D737-N741 WeakPolarHBondContact O-CB 3.47Å; D737-N741 PolarHBondContact O-N 2.75Å; D737-N741 PolarHBondContact O-ND2 2.93Å; V738-N741 PolarHBondContact O-N 3.08Å
742T61.8Low65Low25 Ų2566.8 Ų66.815%0.15341%0.408CS..  trans-104114.4-176.1-53.20000112.5T288 R292 V738T288-T742 HydrophobicContact CG2-CG2 3.51Å; R292-T742 PolarHBondContact NE-O 2.9Å; V738-T742 VanDerWaalsContact O-CB 3.28Å; V738-T742 WeakPolarHBondContact O-CB 3.48Å; V738-T742 PolarHBondContact O-N 2.68Å; V738-T742 VanDerWaalsContact O-N 3.16Å; V738-T742 PolarHBondContact O-OG1 2.75Å
743H58.5Low63.7Low177 Ų17769 Ų6982%0.81942%0.42SS*.  trans-83.8132.9170.5-61.6-74.2000110.9
744S58.2Low62.1Low42 Ų4271.6 Ų71.629%0.29443%0.428SS..  trans-114.2158.3171.566.90000112.1N289 R292N289-S744 VanDerWaalsContact OD1-CA 3.26Å; N289-S744 WeakPolarHBondContact OD1-CA 3.28Å; N289-S744 WeakPolarHBondContact OD1-CB 3.35Å; R292-S744 WeakPolarHBondContact CD-OG 3.3Å; R292-S744 PolarHBondContact NH1-OG 3.35Å
745V58.6Low61.4Low79 Ų7973.4 Ų73.448%0.47943%0.432SS..  trans-106.8133.31721780000108.8N289N289-V745 PolarHBondContact ND2-O 3.27Å; N289-V745 PolarHBondContact OD1-N 2.85Å; N289-V745 VanDerWaalsContact OD1-N 3.08Å
746P57.4Low60.2Low117 Ų11776.4 Ų76.476%0.7645%0.447SS*.PPolyproline II helixtrans-56.3142.9-179.1-25.434.3000113.5
747L58.2Low58.5Low65 Ų6581.6 Ų81.634%0.3447%0.466SS..PPolyproline II helixtrans-66.7145.4169.6-74.7162.2000110.6
748P59.6Low57.3Low64 Ų6482.8 Ų82.842%0.41648%0.476SS..PPolyproline II helixtrans-63.8161.6172.228.8-35.4000111.8R230R230-P748 HydrophobicContact CG-CG 4.34Å; R230-P748 PolarHBondContact NE-O 3.26Å; R230-P748 PolarHBondContact NH2-O 3.08Å; R230-P748 WeakPolarHBondContact O-CG 3.26Å
749P54.8Low56.3Low100 Ų10089.1 Ų89.165%0.64950%0.503SS*.PPolyproline II helixtrans-60.8162.7178.925.6-35000112.5
750P59.8Low55Low103 Ų10394.5 Ų94.567%0.66953%0.527SS*.PPolyproline II helixtrans-58150.4172.7-19.732.5000111.6
751V61.8Low53.7Low71 Ų7198.4 Ų98.443%0.4353%0.532SS..  trans-108.4149.4172.7-156.90000108.8P228P228-V751 HydrophobicContact CB-CB 3.95Å; P228-V751 HydrophobicContact CB-CG1 3.43Å; P228-V751 VanDerWaalsContact CB-CG1 3.43Å; P228-V751 HydrophobicContact CB-CG2 4.35Å; P228-V751 HydrophobicContact CG-CB 4.49Å; P228-V751 HydrophobicContact CG-CG1 3.88Å
752S51.3Low52.5Low74 Ų7497.2 Ų97.252%0.51753%0.533SS..  trans-81.2140-179.4500000112.4
753D55.8Low51.4Low66 Ų66100.9 Ų100.935%0.35356%0.559SS.*  trans-95.211.8-179-85.5-54.6000113.1K193 W755 I756K193-D753 IonicContact NZ-OD1 3.35Å; K193-D753 PolarHBondContact NZ-OD1 3.02Å; D753-W755 PolarHBondContact O-N 3.33Å; D753-I756 HydrophobicContact CB-CD1 3.87Å; D753-I756 HydrophobicContact CB-CG1 4.37Å; D753-I756 WeakPolarHBondContact O-CB 3.48Å; D753-I756 WeakPolarHBondContact O-CG1 3.46Å; D753-I756 PolarHBondContact O-N 3.19Å; D753-I756 WeakPolarHBondContact OD1-CD1 3.34Å
754D45.3Very low50.6Low122 Ų12298.4 Ų98.465%0.65256%0.557SS**THydrogen-bonded Turntrans-53.3-20.5-169.7-53.6-12.4000115.2I756D754-I756 VanDerWaalsContact C-N 3.33Å
755W54.9Low49.5Very low69 Ų69100 Ų10026%0.26158%0.58SS.*THydrogen-bonded Turntrans-72.3-21.5175.962.7-87000113.7L227 D753 E757 T758 F759L227-W755 HydrophobicContact CD1-CH2 3.64Å; L227-W755 HydrophobicContact CD1-CZ2 4.18Å; L227-W755 HydrophobicContact CD1-CZ3 4.38Å; L227-W755 HydrophobicContact CD2-CZ2 4.48Å; L227-W755 HydrophobicContact CG-CH2 3.7Å; L227-W755 HydrophobicContact CG-CZ2 3.68Å; D753-W755 PolarHBondContact O-N 3.33Å; W755-E757 PolarHBondContact O-N 3.36Å; W755-T758 PolarHBondContact O-N 2.93Å; W755-F759 AromaticContact CE3-CD2 3.9Å; W755-F759 HydrophobicContact CE3-CD2 3.9Å; W755-F759 AromaticContact CE3-CE2 3.94Å; W755-F759 HydrophobicContact CE3-CE2 3.94Å; W755-F759 HydrophobicContact CZ3-CD2 4.37Å; W755-F759 WeakPolarHBondContact O-CD2 3.28Å
756I48.6Very low48.3Very low64 Ų64101.9 Ų101.933%0.32860%0.596SS.*Hα-helixtrans-66.1-36.6-175.5-63.4-179000111.6D753 D754 T758 F759D753-I756 HydrophobicContact CB-CD1 3.87Å; D753-I756 HydrophobicContact CB-CG1 4.37Å; D753-I756 WeakPolarHBondContact O-CB 3.48Å; D753-I756 WeakPolarHBondContact O-CG1 3.46Å; D753-I756 PolarHBondContact O-N 3.19Å; D753-I756 WeakPolarHBondContact OD1-CD1 3.34Å; D754-I756 VanDerWaalsContact C-N 3.33Å; I756-T758 PolarHBondContact O-N 2.55Å; I756-F759 PolarHBondContact O-N 2.96Å
757E42.6Very low47.3Very low157 Ų157101 Ų10173%0.73459%0.594SS**Hα-helixtrans-62.8-32.6178.4-64.2-171.115800111.9W755 F759 Q760W755-E757 PolarHBondContact O-N 3.36Å; E757-F759 VanDerWaalsContact C-N 3.29Å; E757-F759 PolarHBondContact O-N 2.68Å; E757-Q760 PolarHBondContact O-N 3.4Å
758T43.6Very low46.2Very low95 Ų95104.5 Ų104.558%0.58361%0.613SS**Hα-helixtrans-68.8-24.4-176.2-470000113.4W755 I756 S762W755-T758 PolarHBondContact O-N 2.93Å; I756-T758 PolarHBondContact O-N 2.55Å; T758-S762 PolarHBondContact O-OG 3.24Å
759F45.6Very low45.4Very low141 Ų141107.3 Ų107.362%0.61863%0.628SS**Hα-helixtrans-90.8-14-177.4-74.4-78.9000114.6W755 I756 E757W755-F759 AromaticContact CE3-CD2 3.9Å; W755-F759 HydrophobicContact CE3-CD2 3.9Å; W755-F759 AromaticContact CE3-CE2 3.94Å; W755-F759 HydrophobicContact CE3-CE2 3.94Å; W755-F759 HydrophobicContact CZ3-CD2 4.37Å; W755-F759 WeakPolarHBondContact O-CD2 3.28Å; I756-F759 PolarHBondContact O-N 2.96Å; E757-F759 VanDerWaalsContact C-N 3.29Å; E757-F759 PolarHBondContact O-N 2.68Å
760Q44.8Very low44.6Very low156 Ų156114.6 Ų114.673%0.72964%0.643SS**Hα-helixtrans-84.6-32.1175.4-72.1-168.7-13.300112.9E757E757-Q760 PolarHBondContact O-N 3.4Å
761E42Very low43.4Very low162 Ų162119.1 Ų119.176%0.75765%0.647SS**Hα-helixtrans-76.8-21.7-177.1-63.1-163.914200114.3S763E761-S763 VanDerWaalsContact C-N 3.26Å; E761-S763 PolarHBondContact O-N 3.1Å; E761-S763 VanDerWaalsContact O-N 3.16Å
762S38.9Very low42.4Very low92 Ų92121.5 Ų121.564%0.64366%0.664SS**THydrogen-bonded Turntrans-81.411.8-17139.80000115.7T758T758-S762 PolarHBondContact O-OG 3.24Å
763S39.5Very low42Very low102 Ų102123.6 Ų123.671%0.71367%0.669SS**THydrogen-bonded Turntrans-122.811.7-177.160.80000115.9E761E761-S763 VanDerWaalsContact C-N 3.26Å; E761-S763 PolarHBondContact O-N 3.1Å; E761-S763 VanDerWaalsContact O-N 3.16Å
764T41.2Very low41.4Very low125 Ų125126.3 Ų126.377%0.76769%0.689SS**SBendtrans-121.8140.8170.760.30000112
765G34.8Very low41.4Very low75 Ų75125.7 Ų125.777%0.77370%0.695SS**  trans-97.9149.2-160.900000116.4
766S32.9Very low40.8Very low119 Ų119127.4 Ų127.483%0.83272%0.718SS**  trans55.5103.8142.7-1610000119.4
767S36.6Very low40.4Very low100 Ų100132.1 Ų132.170%0.69974%0.743SS**  171.9159.3108.650.30000114.1
768N36.9Very low40.3Very low138 Ų138128.8 Ų128.874%0.73874%0.743SS**  trans75.880.7157.5-61.2-18.3000121.7
769T41.1Very low40.1Very low122 Ų122129.2 Ų129.275%0.74875%0.75SS**  48.7106.3117.461.60000121.4
770R37.9Very low39.9Very low254 Ų254131 Ų13196%0.95876%0.759SS**  173.2144.998.1-96.2-178.8174.8-177.2-1.6112.2
771R34.4Very low39.6Very low198 Ų198129.1 Ų129.175%0.74776%0.763SS**  trans-127.6145.2177.4-152.7-177.1-168.6-160.74.2108.5L773R771-L773 HydrophobicContact CG-CG 4.27Å
772P41.7Very low39.3Very low121 Ų121125 Ų12579%0.78677%0.765SS**  -141138.5101.233-17.1000112.1
773L42.8Very low39.4Very low118 Ų118128.8 Ų128.862%0.61877%0.772SS**  67.6139.664.5-76.2165.9000115.1R771R771-L773 HydrophobicContact CG-CG 4.27Å
774P44.2Very low39.4Very low122 Ų122134.7 Ų134.779%0.79278%0.78SS**  trans-125.5175.7-143.341.8-26.4000115.7
775S44.7Very low39Very low110 Ų110133.9 Ų133.977%0.76978%0.779SS**  trans-137102.4173.260.30000114.3
776S43Very low39.1Very low105 Ų105136.5 Ų136.573%0.73478%0.78SS**  trans32.4124.5140.462.40000123.4
777N40.3Very low39.3Very low163 Ų163135.9 Ų135.987%0.87278%0.776SS**  89.2136.7127.2-80.66.6000124.3
778A39Very low39.4Very low87 Ų87136.4 Ų136.472%0.71978%0.775SS**  trans9180.7144.700000120.4
779S40.3Very low39.6Very low104 Ų104135.2 Ų135.273%0.72777%0.773SS**  66.8118.9121.760.80000122.7
780H41.7Very low39.6Very low178 Ų178138 Ų13882%0.82478%0.778SS**  trans86.6100.4140.1-72.8-53000122.3
781S38.1Very low39.7Very low116 Ų116137.3 Ų137.381%0.81178%0.775SS**  trans59.396.313458.50000119
782G35.4Very low40.1Very low76 Ų76132.4 Ų132.478%0.78477%0.769SS**  trans-107.7132.7161.100000112.1
783H40.8Very low40.1Very low172 Ų172135.2 Ų135.280%0.79678%0.777SS**  trans-110.8171.8163.1-88-32.7000109.8
784Y39.8Very low39.9Very low226 Ų226134.8 Ų134.889%0.88678%0.783SS**  trans92.2119169.2-53.6-71.1000118.6
785S32.8Very low39.9Very low107 Ų107134.2 Ų134.275%0.74878%0.779SS**  trans-65.6153.2169.2-32.90000112.6
786T36.9Very low39.7Very low130 Ų130136.1 Ų136.180%0.79878%0.781SS**  166.3126.2116.336.60000115.4
787S36.8Very low39.3Very low106 Ų106137.7 Ų137.774%0.74178%0.781SS**  trans79.2153.1132.282.60000124.2
788T39.5Very low39.1Very low112 Ų112137.3 Ų137.369%0.68778%0.777SS**  trans100.992.1137.1-52.90000121.8
789T39.9Very low39Very low113 Ų113139.1 Ų139.169%0.69378%0.78SS**  trans27.9138.5135.664.40000124.2
790Q41Very low38.9Very low179 Ų179139.9 Ų139.984%0.83679%0.785SS**  172119.9119.6-92.8167.174.300109.8
791R40.6Very low38.6Very low240 Ų240139.3 Ų139.391%0.90679%0.788SS**  97155.475.4-102.2-147.3169.9-153.50113.6
792P43.7Very low38.4Very low95 Ų95139.1 Ų139.162%0.61779%0.787SS**  -136.6172.6-123.143.4-26.8000117.6
793L40.9Very low38.6Very low181 Ų181143.5 Ų143.595%0.94879%0.793SS**  trans-146.1152.8156.6-78.4179000111.6
794S38.5Very low38.3Very low109 Ų109146 Ų14676%0.76280%0.795SS**  trans-133.5-169.2-171.4-32.40000110.5
795P44.6Very low38.6Very low109 Ų109141.1 Ų141.171%0.70879%0.791SS**  cis-130.4168.8-38.834.5-18.6000113.4
796N39.2Very low39Very low150 Ų150143 Ų14380%0.80279%0.791SS**  trans-174.6119.5131.8-103.9-23.6000115.1
797N34.7Very low39Very low139 Ų139142.9 Ų142.974%0.74379%0.793SS**  trans36.5114.4135.6-84.5-4.5000121.8
798I37.8Very low39.2Very low154 Ų154143.4 Ų143.479%0.7980%0.796SS**  170.7129.1108.2-90.6152.2000114.4
799T35.4Very low39Very low126 Ų126149.4 Ų149.477%0.77381%0.806SS**  trans72143156.7490000126.7
800S38.1Very low38.8Very low120 Ų120150 Ų15084%0.83981%0.812SS**  trans72.6120.9158.750.30000120.8
801N35.9Very low38.7Very low166 Ų166146 Ų14689%0.88881%0.81SS**  trans-80140.5-177-106.7-16000113.4
802S35.2Very low38.6Very low112 Ų112140.7 Ų140.778%0.78381%0.806SS**  trans-71.2134.9167.753.80000112.4
803N37.8Very low38.2Very low168 Ų168144 Ų14490%0.89882%0.819SS**  trans-104.8134.8166.5-143.60.6000109.8
804R35.8Very low38Very low224 Ų224143.3 Ų143.385%0.84582%0.815SS**  trans-116.5125.6-167.3-158.3-173.9-158.9-1547.4109.9
805P45Very low37.9Very low124 Ų124143.7 Ų143.781%0.80582%0.815SS**PPolyproline II helixtrans-73.1133.6175.7-11.827000111.1
806I41.8Very low37.6Very low147 Ų147146.7 Ų146.775%0.75482%0.823SS**PPolyproline II helixtrans-99.2133.1174.7-61.7170.5000108.4
807P37.1Very low37.3Very low127 Ų127150.9 Ų150.983%0.82583%0.828SS**PPolyproline II helixtrans-84.8124.4174.732.4-31.4000111.2
808S40.1Very low37.1Very low116 Ų116152.9 Ų152.981%0.81183%0.832SS**  trans-112.2133.7176.8-68.20000111.7
809R35.8Very low36.9Very low238 Ų238152.2 Ų152.290%0.89884%0.836SS**  trans-85.6148.6-164.2-165179.8-171.4-172.13.1112.3
810P35.2Very low36.8Very low125 Ų125153.5 Ų153.581%0.81284%0.837SS**  trans-75.5153.5175.331.8-35.7000112.4
811A39.3Very low36.4Very low97 Ų97154.9 Ų154.980%0.80284%0.835SS**  trans-125.1155.2174.100000111.2
812P38.8Very low36.6Very low128 Ų128152.7 Ų152.783%0.83183%0.83SS**  trans-108.1168.3-157.620.3-0.1000115.9
813N34.9Very low36.8Very low163 Ų163152.6 Ų152.687%0.87283%0.827SS**  trans-53.3147.3-179.8-67.8-24.3000116.1
814L37.7Very low36.4Very low167 Ų167150.9 Ų150.987%0.87482%0.822SS**  trans-140.8141.7149.7-93159.6000109.3
815P36.7Very low36.3Very low117 Ų117147.7 Ų147.776%0.7682%0.82SS**  trans-96.3149.3-16636.5-34.8000114.4
816I36.4Very low35.4Very low173 Ų173148 Ų14889%0.88782%0.82SS**  trans-94.1133.1171.7-62.9174.4000109.7
817R33.2Very low34.8Very low237 Ų237146.5 Ų146.589%0.89482%0.818SS**  trans-114.2138.6179.9-154.2-178.4-164.7-168.44.8110.1
818H30.3Very low34.5Very low181 Ų181146.7 Ų146.784%0.83882%0.817SS**  trans-66.1146.6-177.5-53.1-91.4000114.4
819T34.2Very low34Very low141 Ų141145.9 Ų145.987%0.86582%0.817SS**  trans-147.8153.2148.244.30000110.9
820L33.1Very low33.8Very low153 Ų153140.7 Ų140.780%0.80181%0.814SS**  trans-104.6148.4-173.2-56.893.1000113.1
821N31Very low33.7Very low148 Ų148138.4 Ų138.479%0.79181%0.813SS**  trans52.5-175.4148.8-71.70.4000118.2
822P38.5Very low33.3Very low120 Ų120143.1 Ų143.178%0.77982%0.819SS**  cis-107.8-134.8-36.533-12.2000107.7
823P39.6Very low33.1Very low111 Ų111145.4 Ų145.472%0.72182%0.823SS**  cis-130178.1-25.840.4-23.4000115.7
824T29.6Very low33Very low131 Ų131143.3 Ų143.380%0.80482%0.818SS**  trans-68.5144.3163.8-37.30000112.7
825I34.4Very low33.1Very low157 Ų157139.7 Ų139.781%0.80581%0.813SS**  trans-160.1152.1153.6-102.9148.2000111.3
826V25.9Very low33.2Very low130 Ų130140.6 Ų140.679%0.78882%0.818SS**  trans-100.4130.6-176.6171.70000111
827T28.9Very low33Very low117 Ų117140.2 Ų140.272%0.71882%0.817SS**  trans-169.3126.3148.512.40000116
828T30.1Very low33.1Very low130 Ų130137 Ų13780%0.79882%0.817SS**  trans45.9126.9139.555.10000123.3
829A30.5Very low33.3Very low99 Ų99134.2 Ų134.282%0.81882%0.815SS**  trans-74.8168.2166.900000114.1
830P32.7Very low33.2Very low129 Ų129136.6 Ų136.684%0.83882%0.816SS**  -143.3153.1129.137.4-24.1000116.1
831G32Very low33.3Very low77 Ų77141.2 Ų141.279%0.79482%0.823SS**  trans97.767.2133.500000120.3
832Q31.7Very low33.5Very low197 Ų197142.4 Ų142.492%0.92183%0.826SS**PPolyproline II helixtrans-80.2133.5150.7-87-178.2-13.500110.3
833L34Very low33.7Very low175 Ų175142.9 Ų142.992%0.91683%0.829SS**PPolyproline II helixtrans-84.8129.8171.9-77.3163.4000110.4
834P33.4Very low33.5Very low119 Ų119145.4 Ų145.477%0.77383%0.831SS**PPolyproline II helixtrans-86.8150.4178.534-34.1000112.9
835A39.5Very low33.8Very low92 Ų92149.6 Ų149.676%0.7684%0.839SS**PPolyproline II helixtrans-76.2153.5171.500000112
836P38.4Very low33.9Very low135 Ų135148.6 Ų148.688%0.87784%0.835SS**PPolyproline II helixtrans-78.3145.2-169.130.2-35.5000114.8
837L31.6Very low34.5Very low166 Ų166150 Ų15087%0.86984%0.838SS**PPolyproline II helixtrans-90.3146176.5-73.8162.9000112.7
838L36.4Very low34.9Very low168 Ų168147.4 Ų147.488%0.8883%0.834SS**  trans-136158.6160.9-83.6173.2000109.7
839P34.8Very low35.2Very low123 Ų123149.1 Ų149.180%0.79984%0.838SS**  -104.7170.5-125.937.9-38.7000118.2
840Q31.7Very low35.4Very low192 Ų192148.9 Ų148.990%0.89783%0.83SS**  trans-66153.2-173.9-60.2172.6-20.700116.4
841R35.3Very low35.4Very low250 Ų250151.9 Ų151.994%0.94383%0.833SS**  trans-157.2132.7132.6-125.4177.3-178.1-1770.4112.7
842M34.5Very low35.6Very low172 Ų172154.4 Ų154.485%0.84784%0.839SS**  trans-122.9169.3162.4-95.5-161.3171.800108.8
843P41.9Very low35.6Very low130 Ų130149.9 Ų149.984%0.84484%0.835SS**  -135.9168.8109.435.3-23.1000115
844Q35.2Very low35.7Very low164 Ų164146.8 Ų146.877%0.76683%0.828SS**  trans-80.2161.5-168.7-56.7167.1-11.300114.3
845F37.7Very low35.7Very low220 Ų220148.1 Ų148.197%0.96583%0.834SS**  trans-141.5143130.3-98.5-77.1000109.7
846N35.3Very low35.4Very low135 Ų135147.6 Ų147.672%0.72284%0.837SS**  trans-145.1145.6-171-173.631.5000111.4
847N38.8Very low35.4Very low160 Ų160149.2 Ų149.286%0.85684%0.839SS**  trans-176.9121.9161.7-91.6-22.2000104.3
848G36.5Very low35.6Very low62 Ų62149.2 Ų149.264%0.63984%0.839SS**  98121.850.100000107.7
849L36.6Very low35.8Very low166 Ų166147.2 Ų147.287%0.86984%0.836SS**  cis-161.2157.231.8-91.2116.3000114.3
850S35.6Very low36Very low95 Ų95144.9 Ų144.966%0.66483%0.834SS**  trans29.4122.7149.257.10000121.8
851Q32.5Very low36.1Very low192 Ų192142.1 Ų142.190%0.89783%0.83SS**  67.7117.370.2-73-168.323.300117.5
852S36.2Very low36.3Very low130 Ų130138.1 Ų138.191%0.90983%0.826SS**  178.9158.9125.650.90000111.3
853A31.3Very low36.4Very low101 Ų101134.3 Ų134.384%0.83582%0.817SS**  trans-135.4146-175.400000112.2
854S36.2Very low36.3Very low111 Ų111134.2 Ų134.278%0.77682%0.819SS**  trans-173.9122.5156.656.90000114.6
855T33.2Very low36.4Very low146 Ų146130.4 Ų130.490%0.89682%0.823SS**  trans8.9137141.853.50000121.8
856G34.4Very low36.4Very low81 Ų81123.2 Ų123.284%0.83581%0.811SS**  trans174.1111.9158.100000118.1
857N36.8Very low36.6Very low170 Ų170125.7 Ų125.791%0.90982%0.823SS**  trans-22.2155173-70.6-16.9000124.7
858L35.8Very low36.5Very low166 Ų166121.7 Ų121.787%0.86982%0.819SS**  trans-51.4176.7153.9-75157.7000114.4
859P41.3Very low36.5Very low126 Ų126122.2 Ų122.282%0.81882%0.824SS**  cis-145.4-170.720.843.2-22.2000117.8
860G38.2Very low36.6Very low74 Ų74122.1 Ų122.176%0.76383%0.825SS**  trans172.4123.9161.100000115.7
861T35.7Very low36.6Very low133 Ų133122.2 Ų122.282%0.81682%0.822SS**  trans-135.3138.7-169.6-49.10000113.6
862I38.3Very low36.7Very low166 Ų166121.8 Ų121.885%0.85182%0.817SS**  trans-154.9153.5164.8-53.2-177.1000108.4
863S37.8Very low36.7Very low93 Ų93123.1 Ų123.165%0.6581%0.811SS**  cis-173.5157.6-49.4-86.80000110.7
864S38.4Very low36.7Very low128 Ų128123.7 Ų123.790%0.89580%0.804SS**  trans65.1140.1169.268.10000118.8
865G37.7Very low36.7Very low83 Ų83124.8 Ų124.886%0.85681%0.806SS**  cis129138.5-0.600000112
866G38Very low36.7Very low69 Ų69125 Ų12571%0.71180%0.802SS**  cis173.3-169-1.900000111.8
867I38.6Very low37Very low188 Ų188125.9 Ų125.996%0.96479%0.793SS**  trans74.9137.3173.3-45.9167.8000115.7
868G37.4Very low36.8Very low75 Ų75122.1 Ų122.177%0.77378%0.78SS**  cis157.9149.5-9.200000113.5
869G37.1Very low36.9Very low73 Ų73122.1 Ų122.175%0.75378%0.781SS**  trans130102.5158.200000121
870N38.4Very low36.3Very low164 Ų164119.2 Ų119.288%0.87777%0.774SS**  39.8152.2125.2-69.715.5000123.6
871T35.1Very low36Very low98 Ų98121.3 Ų121.360%0.60178%0.777SS**  cis-172.4170.8-11.1-78.40000109.2
872F35.8Very low35.9Very low182 Ų182121.1 Ų121.180%0.79878%0.776SS**  trans100.5117.6169.1-71.3-89.7000115.3
873M34.7Very low35.7Very low159 Ų159121 Ų12178%0.78378%0.776SS**  65.8130.652.9-66-157.7176.700112.7
874T32.8Very low35.1Very low112 Ų112124.1 Ų124.169%0.68779%0.786SS**  cis-165.9168.116.95.30000112.9
875T36Very low34.8Very low135 Ų135123.6 Ų123.683%0.82878%0.777SS**  trans74.1128.9148.545.90000123.9
876N31.8Very low34.3Very low151 Ų151126 Ų12681%0.80778%0.775SS**  trans-83-172.3162.8-133.21.1000109.9
877P42Very low34Very low99 Ų99132.9 Ų132.964%0.64378%0.781SS**  cis-140.6-172.8-8.237.8-15.6000116.6
878S33Very low33.3Very low91 Ų91129 Ų12964%0.63677%0.77SS**  trans62114.2145.563.20000122.7
879N36.2Very low33Very low165 Ų165132.1 Ų132.188%0.88278%0.775SS**  167.3148.3105.1-94-25.5000114.2
880G29.9Very low32.5Very low66 Ų66134.5 Ų134.568%0.6878%0.775SS**  trans98.1102136.400000120.9
881S30.4Very low32.2Very low117 Ų117134.6 Ų134.682%0.81878%0.775SS**  trans54.7116.3136.6620000122.6
882T33.7Very low32Very low130 Ų130133.8 Ų133.880%0.79878%0.779SS**  trans-158110141.818.80000107
883L34Very low31.9Very low163 Ų163130.6 Ų130.685%0.85378%0.776SS**  69.3114.884.2-80.8165.6000114.7
884N27.1Very low31.6Very low159 Ų159134.4 Ų134.485%0.8578%0.782SS**  trans-56.4133167.9-75.3-21.4000111.3
885T32.1Very low31.8Very low116 Ų116134.7 Ų134.771%0.71278%0.784SS**  trans-152.6127.7144.4-56.90000110Y887T885-Y887 HydrophobicContact CG2-CD2 3.88Å; T885-Y887 HydrophobicContact CG2-CE2 3.72Å
886T27.3Very low31.4Very low133 Ų133132.4 Ų132.482%0.81677%0.773SS**  trans-75.4125.3177.7-34.10000110.8
887Y30.7Very low31.3Very low214 Ų214135 Ų13584%0.83978%0.777SS**  trans-145.3125.5161.6-88.5-74.5000112T885T885-Y887 HydrophobicContact CG2-CD2 3.88Å; T885-Y887 HydrophobicContact CG2-CE2 3.72Å
888S24.5Very low30.8Very low106 Ų106137.2 Ų137.274%0.74178%0.784SS**  trans-96127.2168.954.10000110.2
889T30.2Very low31.1Very low141 Ų141137.6 Ų137.687%0.86578%0.784SS**  trans-165.7136.7144.618.10000113
890T26.7Very low31Very low124 Ų124136.3 Ų136.376%0.76178%0.776SS**  trans-49.6148.6170.349.10000117.8
891N31.2Very low31.2Very low165 Ų165141.7 Ų141.788%0.88278%0.781SS**  trans-174.2150.6149.6-90.9-31.8000108.3
892A31.2Very low31.2Very low81 Ų81141.9 Ų141.967%0.66977%0.774SS**  cis-164.9164.3-1800000108.7
893P34.5Very low31.1Very low115 Ų115143.2 Ų143.275%0.74777%0.771SS**  trans-107.4175.5-170.940.5-34.6000115.7
894W29.3Very low31Very low239 Ų239140.7 Ų140.791%0.90577%0.766SS**  trans-120.2115.6164.3-67.585.4000108.2
895V35.2Very low31.1Very low119 Ų119141.9 Ų141.972%0.72177%0.767SS**  68.5129.274.4175.30000112
896S29.6Very low31.1Very low86 Ų86142.3 Ų142.360%0.60178%0.775SS**  cis-176.8152.2-20.156.80000107.9
897F29Very low31.1Very low206 Ų206141.7 Ų141.790%0.90478%0.776SS**  trans174.2108.4135.6-103-71.3000112.2
898D32.2Very low31.1Very low145 Ų145136.3 Ų136.378%0.77578%0.776SS**  trans-105.2-173.2154-125.5-22.2000106.1
899P39Very low31.4Very low100 Ų100139.6 Ų139.665%0.64978%0.783SS**  cis-138.9-175.720.224.94.6000113.6
900L33.6Very low31.6Very low137 Ų137137.1 Ų137.172%0.71778%0.777SS**  178.815475.4-91.2172000114.3
901F33.7Very low32Very low179 Ų179136.4 Ų136.479%0.78578%0.775SS**  trans65.9100.2169.5-71.5-75000117.4
902N31Very low32.2Very low122 Ų122134.4 Ų134.465%0.65277%0.771SS**  cis69.6133.643.8-145.622.4000111
903Q30.4Very low32.6Very low157 Ų157138.3 Ų138.373%0.73478%0.778SS**  cis-165.517527.9-163.3160.250.700112
904S33.2Very low32.9Very low110 Ų110137.9 Ų137.977%0.76978%0.776SS**  trans67.8144.9172.774.20000118
905Q29.4Very low33.3Very low184 Ų184131.9 Ų131.986%0.8677%0.767SS**  cis163.9109.9-26.2-109.6-170.141.600105.1
906S30.8Very low33.9Very low126 Ų126132.4 Ų132.488%0.88177%0.773SS**  trans164.7149.1132.852.50000113.1
907S27.3Very low34.1Very low120 Ų120137.9 Ų137.984%0.83979%0.786SS**  trans-61.3131.6-173.748.90000116.9
908A31.9Very low34.3Very low100 Ų100136.4 Ų136.483%0.82679%0.787SS**  trans-153.112114600000111
909I30.2Very low34.4Very low175 Ų175136 Ų13690%0.89779%0.79SS**PPolyproline II helixtrans-83.8117172.7-66.2169.2000108
910A35.4Very low34.1Very low89 Ų89136.3 Ų136.374%0.73679%0.794SS**PPolyproline II helixtrans-95.1137.8171.100000110.7
911P34Very low34Very low110 Ų110138.3 Ų138.371%0.71481%0.805SS**PPolyproline II helixtrans-80.4162.9-17132.9-36.7000113.6
912P35.3Very low34Very low123 Ų123135.7 Ų135.780%0.79981%0.809SS**PPolyproline II helixtrans-68.7145.1179.328.7-35.4000112.9
913I40.6Very low34.1Very low162 Ų162133.7 Ų133.783%0.83182%0.817SS**PPolyproline II helixtrans-69.3129.6178.7-58.6169.7000109.6
914P39.5Very low34.3Very low107 Ų107133.1 Ų133.170%0.69582%0.819SS**PPolyproline II helixtrans-77.2151-179.731.3-35.1000112.6
915P39.1Very low34.3Very low112 Ų112135.4 Ų135.473%0.72782%0.822SS**PPolyproline II helixtrans-68.9156.5174.529.9-35.3000112
916P47.3Very low34.5Very low130 Ų130130.1 Ų130.184%0.84482%0.817SS**PPolyproline II helixtrans-64.1135.9-179.526.3-34.1000111.9L918P916-L918 PolarHBondContact O-N 3.27Å
917K32.9Very low34.4Very low201 Ų201133.2 Ų133.287%0.87482%0.817SS**PPolyproline II helixtrans-72.4119-177.9-69.9179177177.10111.7
918L32.9Very low34.8Very low176 Ų176132.5 Ų132.592%0.92181%0.81SS**PPolyproline II helixtrans-73127.7157.2-85.3155.6000109.4P916P916-L918 PolarHBondContact O-N 3.27Å
919T35.3Very low34.9Very low137 Ų137132.8 Ų132.884%0.8481%0.805SS**PPolyproline II helixtrans-79.7133.3175.445.20000111.3
920S31.6Very low35.2Very low106 Ų106132.7 Ų132.774%0.74181%0.805SS**PPolyproline II helixtrans-67.6141-175.253.90000114.9
921L32.7Very low35.3Very low178 Ų178134 Ų13493%0.93281%0.806SS**  trans-134.5114.5148.1-93.9169.4000109.4
922S32.8Very low35.2Very low124 Ų124137.8 Ų137.887%0.86781%0.814SS**  trans-79.1131.2173.2-47.80000109.5
923G33.5Very low35.4Very low80 Ų80143.4 Ų143.483%0.82582%0.819SS**  trans-162.5125.7179.900000111.8
924N34.6Very low35.5Very low146 Ų146141.4 Ų141.478%0.78182%0.817SS**  trans-93.6154.4-172.2-144.82.4000111.3
925L32.5Very low35.4Very low157 Ų157139.7 Ų139.782%0.82282%0.819SS**  trans66.4126.7156.1-62.1157.6000120.4
926G33.3Very low35.4Very low74 Ų74141.7 Ų141.776%0.76382%0.823SS**  trans101.7125138.500000118.9
927H28.9Very low35.1Very low190 Ų190143.9 Ų143.988%0.8883%0.826SS**  trans-51.8148.7147.4-101.2-88.5000109.2
928P36.5Very low35.3Very low106 Ų106137 Ų13769%0.68881%0.813SS**  -153.5-170.751.943.9-23.3000116.9
929S34.4Very low35.7Very low105 Ų105137.6 Ų137.673%0.73481%0.813SS**  trans48.2118.9148.2-55.50000121.6P931S929-P931 WeakPolarHBondContact O-CD 3.47Å
930I36.3Very low35.9Very low173 Ų173136.6 Ų136.689%0.88781%0.809SS**  trans-73.3129.6166.2-61165.5000110.7
931P37.9Very low36.1Very low116 Ų116143.3 Ų143.375%0.75382%0.818SS**  trans-110.1142.9166.933-20.5000113.4S929S929-P931 WeakPolarHBondContact O-CD 3.47Å
932E30.9Very low36.8Very low191 Ų191142.4 Ų142.489%0.89381%0.813SS**  trans-75.4152.4177.4-54.2177.4130.100113.7
933R40.6Very low37.9Very low240 Ų240141.9 Ų141.991%0.90681%0.806SS**  trans-175.1157.4155.9-113.2177.8-172-154.72.9112.1
934P41.7Very low38.7Very low120 Ų120144.2 Ų144.278%0.77981%0.807SS**  -135.6163-64.937.9-21.5000114.7
935G38.2Very low39.1Very low72 Ų72148.7 Ų148.774%0.74281%0.813SS**  trans71.580.1130.200000121.8
936N38.5Very low39.9Very low153 Ų153146.8 Ų146.882%0.81881%0.809SS**  53.9117.9116.6-161.132000122.1
937I40.7Very low40.6Very low177 Ų177150.2 Ų150.291%0.90882%0.816SS**  trans178.2131.3141.1-83.7142.8000104.7
938G37.2Very low41.2Very low57 Ų57150.3 Ų150.359%0.58884%0.838SS**  cis173.3162.3-7.100000109.8
939M42.5Very low41.4Very low187 Ų187152.6 Ų152.692%0.92185%0.846SS**  trans77.5151.4178.1-55.4-69.1-163.800117.7
940P39.1Very low41.8Very low117 Ų117155.1 Ų155.176%0.7685%0.851SS**  -129165.9-65.632-13.5000113.8
941R36.1Very low42.1Very low246 Ų246154.1 Ų154.193%0.92885%0.85SS**  trans-81.4147.2-173.8-67.1177173.9174.9-3.3114.4
942I47.4Very low42.3Very low160 Ų160156.3 Ų156.382%0.82186%0.855SS**  trans-119.3134.8155.1-61.6178.3000107.5
943P54.7Low43Very low113 Ų113154.1 Ų154.173%0.73485%0.853SS**PPolyproline II helixtrans-83.6157.6-172.433.3-36.1000114
944P49.9Very low43.2Very low129 Ų129148.4 Ų148.484%0.83885%0.849SS**PPolyproline II helixtrans-78.7149-179.433.1-35.3000112.6
945R42.9Very low43.3Very low240 Ų240150.4 Ų150.491%0.90685%0.854SS**PPolyproline II helixtrans-94.4146.7172.3-152.1169-162.4-1263.7110
946P51.1Low43.7Very low116 Ų116156.5 Ų156.575%0.75386%0.863SS**PPolyproline II helixtrans-77.4162.9-166.9-13.129.5000114.2
947T46Very low44.1Very low147 Ų147156.8 Ų156.890%0.90287%0.867SS**PPolyproline II helixtrans-65.6137.117248.10000113.3
948S42.1Very low44.4Very low192 Ų192154.9 Ų154.9100%1.34386%0.863SS**  trans-144.30151.861.60000107.8

Retrieved 948 of 948 residues in 1040.3 ms (Link to these results)

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